A0A096NW29_PAPAN Loading...

Sperm-tail PG-rich repeat containing 4

AlphaFold DB , UniProt , Accession A0A096NW29, Species PAPAN (Papio anubis, Olive baboon), Gene STPG4, Length 247 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
1M35.7Very low35.8Very low222 Ų222129.8 Ų129.8100%1.09480%0.803SS**  064.10-49.2-53.3-174.300109.7
2D42.3Very low35.4Very low146 Ų146129.4 Ų129.478%0.78180%0.8SS**  cis-155127.5-5-74.8-36.1000106.6
3Q38.6Very low35.1Very low185 Ų185131.2 Ų131.286%0.86480%0.8SS**  trans-92.8177.3153.6-72.4-166.3-4.500106.9
4P54.3Low34.8Very low114 Ų114139.9 Ų139.974%0.7481%0.811SS**  cis-138.5-171.210.837.4-13.3000112
5A34.3Very low34.6Very low94 Ų94141.2 Ų141.278%0.77781%0.806SS**  -176.3125.587.400000111.3
6V38.7Very low34.3Very low134 Ų134141.9 Ų141.981%0.81281%0.807SS**  trans-79141.8158.6169.90000107.8
7A32.4Very low34.2Very low105 Ų105143.2 Ų143.287%0.86881%0.81SS**  trans-145.3117.1155.700000110.2
8T30.2Very low34.1Very low124 Ų124143.2 Ų143.276%0.76181%0.813SS**  trans-97.7166177.3-46.60000109.2
9A28.3Very low33.9Very low89 Ų89148.3 Ų148.374%0.73682%0.818SS**  trans89.6148.2157.400000114.5
10S29.8Very low33.8Very low93 Ų93144.4 Ų144.465%0.6581%0.813SS**  cis178.8-173.6-8.847.90000105.8
11T29.6Very low33.7Very low122 Ų122146.9 Ų146.975%0.74882%0.818SS**  trans78.8143.4163.867.90000117.7
12T30.9Very low33.7Very low125 Ų125141.3 Ų141.377%0.76780%0.801SS**  cis-171.7145.1-20.126.60000105.3
13L31.8Very low33.3Very low152 Ų152143.1 Ų143.180%0.79680%0.802SS**  trans-12.1134.6152.7-70.7164.6000118.2
14R30.4Very low33.3Very low253 Ų253142.7 Ų142.796%0.95580%0.804SS**  trans-139.9113.2137.6-86.2-154.8170.7-171.2-2.4110.4
15E31.3Very low32.5Very low160 Ų160142.7 Ų142.775%0.74880%0.802SS**  trans-84.1144.6153.8-69177.5148.200108.1
16D29.5Very low33Very low153 Ų153143.3 Ų143.382%0.81881%0.807SS**  trans169.3101.7131.3-82.5-19.5000112.5
17L34.1Very low33.3Very low164 Ų164141.9 Ų141.986%0.85980%0.803SS**  41.4105119.5-150.182000120.3
18V31.8Very low34Very low143 Ų143146.2 Ų146.287%0.86780%0.802SS**  trans-149.3104.9138.8-175.30000111.9
19R30.1Very low34.7Very low240 Ų240145.6 Ų145.691%0.90680%0.801SS**  trans8.6124.4136.9-171.7-178.5-62.9-95.9-1.7118.8
20G31.1Very low35.7Very low69 Ų69145.4 Ų145.471%0.71180%0.799SS**  trans-174.4102.515800000111.7
21E33.3Very low36.7Very low197 Ų197151.3 Ų151.392%0.92181%0.807SS**  trans-55.2134.3171.3-76174.2134.500111.1
22S35.8Very low37.7Very low105 Ų105154.8 Ų154.873%0.73481%0.812SS**  trans-151.2108.2154.451.60000111.9
23F32.8Very low38.6Very low184 Ų184153.5 Ų153.581%0.80780%0.804SS**  trans39.7109.7137.4-61.4-80.3000118.5T25F23-T25 PolarHBondContact O-N 2.95Å
24I38.3Very low39.7Very low176 Ų176149.2 Ų149.290%0.90379%0.786SS**  trans-51.3105.1155.6-62166.7000108.2
25T37Very low41Very low114 Ų114141 Ų14170%0.69977%0.768SS**  trans-118114.8160.252.90000107.4F23 S27F23-T25 PolarHBondContact O-N 2.95Å; T25-S27 VanDerWaalsContact C-N 3.33Å; T25-S27 PolarHBondContact O-N 2.88Å
26A46.2Very low42.2Very low107 Ų107140.1 Ų140.188%0.88476%0.762SS**  trans-6393.2174.100000109.2
27S44.8Very low43.7Very low105 Ų105140.1 Ų140.173%0.73476%0.757SS**  trans-94.9118.2165610000108.4T25T25-S27 VanDerWaalsContact C-N 3.33Å; T25-S27 PolarHBondContact O-N 2.88Å
28K47.6Very low45.1Very low195 Ų195141.7 Ų141.785%0.84875%0.751SS**  trans-45.2133.3174.6-70.4167.2176.61730109.5A30K28-A30 PolarHBondContact O-N 2.79Å
29P45Very low46.8Very low112 Ų112138.1 Ų138.173%0.72773%0.725SS**  trans-70.191.2169.429.8-32.3000107.5R31P29-R31 HydrophobicContact CB-CG 4.47Å; P29-R31 PolarHBondContact O-N 2.78Å
30A47.3Very low48.7Very low84 Ų84127.7 Ų127.769%0.69469%0.692SS**  trans-66.679.3156.300000106.1K28 K32K28-A30 PolarHBondContact O-N 2.79Å; A30-K32 PolarHBondContact O-N 3.43Å
31R52.3Low50.6Low218 Ų218134.1 Ų134.182%0.82370%0.695SS**  trans-61.585161-72.4-175.4179.5179.8-0105.5P29 T33P29-R31 HydrophobicContact CB-CG 4.47Å; P29-R31 PolarHBondContact O-N 2.78Å; R31-T33 PolarHBondContact O-N 3.09Å
32K49.3Very low52.3Low195 Ų195129.8 Ų129.885%0.84867%0.671SS**  trans-6287.5154.4-68.3179.3-179.11780103.9A30 S34A30-K32 PolarHBondContact O-N 3.43Å; K32-S34 PolarHBondContact O-N 2.82Å
33T51Low53.9Low97 Ų97128.3 Ų128.360%0.59565%0.649SS**  trans-49.9112.4165.850.10000104.8R31 S35R31-T33 PolarHBondContact O-N 3.09Å; T33-S35 PolarHBondContact O-N 2.89Å; T33-S35 VanDerWaalsContact O-N 3.1Å
34S55.4Low55.4Low62 Ų62125.1 Ų125.143%0.43464%0.639SS.*  trans-53124-179.156.90000106.4K32 F36 E37K32-S34 PolarHBondContact O-N 2.82Å; S34-F36 PolarHBondContact O-N 2.95Å; S34-E37 PolarHBondContact O-N 3.1Å; S34-E37 VanDerWaalsContact O-N 3.09Å
35S56.7Low56.6Low80 Ų80119.9 Ų119.956%0.55962%0.622SS**Hα-helixtrans-53-18.5177.247.70000112.1T33 E37 R38 E39T33-S35 PolarHBondContact O-N 2.89Å; T33-S35 VanDerWaalsContact O-N 3.1Å; S35-E37 PolarHBondContact O-N 2.75Å; S35-R38 PolarHBondContact O-N 3.24Å; S35-E39 WeakPolarHBondContact O-CG 3.35Å; S35-E39 PolarHBondContact O-N 3.34Å
36F56.3Low57.8Low143 Ų143119.3 Ų119.363%0.62762%0.615SS**Hα-helixtrans-58.6-36.9175.6-144.6-94.2000114.7S34 G40 R43S34-F36 PolarHBondContact O-N 2.95Å; F36-G40 PolarHBondContact O-N 3.05Å; F36-R43 VanDerWaalsContact CZ-NH1 3.27Å
37E61.3Low58.5Low153 Ų153119.4 Ų119.472%0.71560%0.604SS**Hα-helixtrans-73.7-39178.7-72179.1174.400111.8S34 S35 E39 G40S34-E37 PolarHBondContact O-N 3.1Å; S34-E37 VanDerWaalsContact O-N 3.09Å; S35-E37 PolarHBondContact O-N 2.75Å; E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.3Å; E37-G40 PolarHBondContact O-N 3.36Å
38R64.5Low59.5Low196 Ų196120.7 Ų120.774%0.7460%0.603SS**Hα-helixtrans-67.3-28.1179.2-172.9-178.3-68.4-111.80.7112.4S35 W41S35-R38 PolarHBondContact O-N 3.24Å; R38-W41 PolarHBondContact O-NE1 3.4Å
39E67.5Low60.4Low69 Ų69115.5 Ų115.532%0.32259%0.587SS.*THydrogen-bonded Turntrans-92.2-3.8178.7-67.8179.9-146.400113.5S35 E37 W41 W42 R43S35-E39 WeakPolarHBondContact O-CG 3.35Å; S35-E39 PolarHBondContact O-N 3.34Å; E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.3Å; E39-W41 PolarHBondContact O-N 2.65Å; E39-W42 VanDerWaalsContact CA-NE1 3.35Å; E39-W42 HydrophobicContact CB-CZ2 3.98Å; E39-W42 HydrophobicContact CG-CZ2 4.09Å; E39-W42 PolarHBondContact O-NE1 3.36Å; E39-R43 VanDerWaalsContact CB-NH2 3.33Å; E39-R43 WeakPolarHBondContact O-CG 3.2Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE2-CZ 3.5Å; E39-R43 IonicContact OE2-NE 3.63Å; E39-R43 IonicContact OE2-NH2 2.65Å; E39-R43 PolarHBondContact OE2-NH2 3.1Å
40G69.1Low61.8Low21 Ų21113 Ų11322%0.21657%0.571CS.*Hα-helixtrans-62.1-39.4-178.200000113.6F36 E37 W42 R43 I44F36-G40 PolarHBondContact O-N 3.05Å; E37-G40 PolarHBondContact O-N 3.36Å; G40-W42 PolarHBondContact O-N 3.34Å; G40-R43 PolarHBondContact O-N 3.19Å; G40-I44 WeakPolarHBondContact O-CD1 3.35Å; G40-I44 WeakPolarHBondContact O-CG1 3.48Å; G40-I44 PolarHBondContact O-N 3.37Å
41W71.5Confident63.3Low203 Ų203115.2 Ų115.277%0.76957%0.57SS**Hα-helixtrans-65.4-35.7-171.972.6-82.3000113.9R38 E39R38-W41 PolarHBondContact O-NE1 3.4Å; E39-W41 PolarHBondContact O-N 2.65Å
42W68.6Low64.4Low107 Ų107110.1 Ų110.141%0.40557%0.565SS.*Hα-helixtrans-87.8-26.8177.864.5-96.1000112.6E39 G40 A45 L46E39-W42 VanDerWaalsContact CA-NE1 3.35Å; E39-W42 HydrophobicContact CB-CZ2 3.98Å; E39-W42 HydrophobicContact CG-CZ2 4.09Å; E39-W42 PolarHBondContact O-NE1 3.36Å; G40-W42 PolarHBondContact O-N 3.34Å; W42-A45 PolarHBondContact O-N 3.38Å; W42-L46 HydrophobicContact CE3-CD1 3.59Å; W42-L46 HydrophobicContact CZ3-CD1 3.61Å; W42-L46 WeakPolarHBondContact O-CG 3.47Å; W42-L46 PolarHBondContact O-N 3.43Å
43R69.2Low65.7Low73 Ų73104.4 Ų104.428%0.27556%0.562SS.*Hα-helixtrans-69.8-34.2174-68.3-172.4-147.6145-8.3112.8F36 E39 G40 A45 L46F36-R43 VanDerWaalsContact CZ-NH1 3.27Å; E39-R43 VanDerWaalsContact CB-NH2 3.33Å; E39-R43 WeakPolarHBondContact O-CG 3.2Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE2-CZ 3.5Å; E39-R43 IonicContact OE2-NE 3.63Å; E39-R43 IonicContact OE2-NH2 2.65Å; E39-R43 PolarHBondContact OE2-NH2 3.1Å; G40-R43 PolarHBondContact O-N 3.19Å; R43-A45 VanDerWaalsContact C-N 3.27Å; R43-A45 PolarHBondContact O-N 3.36Å; R43-L46 PolarHBondContact O-N 3.37Å
44I65.4Low67.1Low117 Ų117104.2 Ų104.260%0.656%0.561SS**Hα-helixtrans-64.3-32.5173.8-66.3161.3000111.5G40 T47 N48G40-I44 WeakPolarHBondContact O-CD1 3.35Å; G40-I44 WeakPolarHBondContact O-CG1 3.48Å; G40-I44 PolarHBondContact O-N 3.37Å; I44-T47 PolarHBondContact O-OG1 3.44Å; I44-T47 VanDerWaalsContact O-OG1 3.1Å; I44-N48 PolarHBondContact O-ND2 3.37Å
45A62.7Low68.3Low67 Ų67107.2 Ų107.255%0.55456%0.563SS**Hα-helixtrans-73.3-30.6178.200000112.8W42 R43W42-A45 PolarHBondContact O-N 3.38Å; R43-A45 VanDerWaalsContact C-N 3.27Å; R43-A45 PolarHBondContact O-N 3.36Å
46L61.7Low69.7Low102 Ų102109.5 Ų109.553%0.53457%0.565SS.*Hα-helixtrans-75-27.6-177-71.3174.8000113.8W42 R43 N48 T49W42-L46 HydrophobicContact CE3-CD1 3.59Å; W42-L46 HydrophobicContact CZ3-CD1 3.61Å; W42-L46 WeakPolarHBondContact O-CG 3.47Å; W42-L46 PolarHBondContact O-N 3.43Å; R43-L46 PolarHBondContact O-N 3.37Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.32Å; L46-T49 PolarHBondContact O-OG1 2.97Å
47T60.5Low71Confident109 Ų109110 Ų11067%0.66957%0.573SS**THydrogen-bonded Turntrans-72.2-19-178.254.60000113.9I44I44-T47 PolarHBondContact O-OG1 3.44Å; I44-T47 VanDerWaalsContact O-OG1 3.1Å
48N65.8Low72.2Confident131 Ų131108.2 Ų108.270%0.70156%0.563SS**THydrogen-bonded Turntrans-102.426.2-178.3-68.6-70.3000112.8I44 L46I44-N48 PolarHBondContact O-ND2 3.37Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.32Å
49T67.6Low73.3Confident86 Ų86102.4 Ų102.453%0.52855%0.549SS..PPolyproline II helixtrans-85.1122.517251.70000108.9L46L46-T49 PolarHBondContact O-OG1 2.97Å
50P74.9Confident74Confident60 Ų60107.9 Ų107.939%0.3957%0.573SS.*PPolyproline II helixtrans-64.6156.4176.329.2-34.9000109.7Y55P50-Y55 HydrophobicContact CG-CD1 3.61Å; P50-Y55 HydrophobicContact CG-CE1 3.51Å; P50-Y55 HydrophobicContact CG-CG 4.47Å
51I78.9Confident74.8Confident130 Ų130112.6 Ų112.667%0.66759%0.592SS**PPolyproline II helixtrans-50.1129.5178.6-59.9166.6000108.7G53 T54I51-G53 PolarHBondContact O-N 3.24Å; I51-G53 VanDerWaalsContact O-N 3.15Å; I51-T54 VanDerWaalsContact O-CB 3.28Å; I51-T54 WeakPolarHBondContact O-CB 3.45Å; I51-T54 PolarHBondContact O-N 3.12Å; I51-T54 PolarHBondContact O-OG1 3.28Å
52P75.6Confident75.6Confident112 Ų112106.6 Ų106.673%0.72757%0.572SS**THydrogen-bonded Turntrans-54.1123.5-177.320.9-32.5000110.6
53G75.8Confident76.4Confident75 Ų75107 Ų10777%0.77358%0.578SS**THydrogen-bonded Turntrans101.1-9.5-172.900000115.1I51 Y55I51-G53 PolarHBondContact O-N 3.24Å; I51-G53 VanDerWaalsContact O-N 3.15Å; G53-Y55 VanDerWaalsContact C-N 3.34Å
54T80Confident77Confident93 Ų93106.6 Ų106.657%0.57159%0.587SS**  trans-96.413.4173.9-44.40000111.8I51 H56I51-T54 VanDerWaalsContact O-CB 3.28Å; I51-T54 WeakPolarHBondContact O-CB 3.45Å; I51-T54 PolarHBondContact O-N 3.12Å; I51-T54 PolarHBondContact O-OG1 3.28Å; T54-H56 PolarHBondContact O-N 3.02Å
55Y80.4Confident77.9Confident125 Ų125107.3 Ų107.349%0.4959%0.591SS.*  trans-69.2120.8178-62.5-76.6000109.6P50 G53 L57P50-Y55 HydrophobicContact CG-CD1 3.61Å; P50-Y55 HydrophobicContact CG-CE1 3.51Å; P50-Y55 HydrophobicContact CG-CG 4.47Å; G53-Y55 VanDerWaalsContact C-N 3.34Å; Y55-L57 PolarHBondContact O-N 3.49Å; Y55-L57 VanDerWaalsContact O-N 3.16Å
56H85.6Confident78.9Confident128 Ų128109.8 Ų109.859%0.59359%0.594SS**  trans-67.6110.9166.4-178.656.6000108.8T54 K58 E62T54-H56 PolarHBondContact O-N 3.02Å; H56-K58 PolarHBondContact O-N 3.49Å; H56-K58 VanDerWaalsContact O-N 3.08Å; H56-E62 IonicContact CD2-OE2 3.63Å; H56-E62 IonicContact CE1-OE2 3.74Å; H56-E62 IonicContact NE2-OE1 3.68Å; H56-E62 IonicContact NE2-OE2 2.75Å; H56-E62 PolarHBondContact NE2-OE2 3.09Å
57L83.4Confident79.8Confident152 Ų152110.5 Ų110.580%0.79660%0.599SS**  trans-74.497.1172-65.5-180000108.1Y55 T59Y55-L57 PolarHBondContact O-N 3.49Å; Y55-L57 VanDerWaalsContact O-N 3.16Å; L57-T59 PolarHBondContact O-N 3.45Å
58K86.8Confident80.7Confident117 Ų117109.6 Ų109.651%0.50960%0.595SS.*  trans-59.1135.2179.1-66178.9-176.21780110H56 E62 L66H56-K58 PolarHBondContact O-N 3.49Å; H56-K58 VanDerWaalsContact O-N 3.08Å; K58-E62 WeakPolarHBondContact CA-OE2 3.49Å; K58-E62 HydrophobicContact CB-CB 4.34Å; K58-L66 HydrophobicContact CD-CD1 4.04Å
59T87.8Confident81.1Confident73 Ų73109.6 Ų109.645%0.44860%0.599SS.*  trans-73.2157.5169.463.50000109.9L57 I61 E62 E63L57-T59 PolarHBondContact O-N 3.45Å; T59-I61 PolarHBondContact O-N 3.29Å; T59-E62 PolarHBondContact N-OE2 2.95Å; T59-E62 PolarHBondContact O-N 2.82Å; T59-E63 PolarHBondContact O-N 3.14Å
60F83.2Confident81.3Confident185 Ų185112 Ų11281%0.81161%0.608SS**Hα-helixtrans-52.3-30176.4-66.5-70.7000113.1S64F60-S64 WeakPolarHBondContact O-CB 3.45Å; F60-S64 PolarHBondContact O-N 3.35Å; F60-S64 VanDerWaalsContact O-N 3.13Å; F60-S64 PolarHBondContact O-OG 2.7Å
61I85.5Confident81Confident120 Ų120112.9 Ų112.962%0.61562%0.62SS**Hα-helixtrans-70.1-51.2177.7-59.6173.4000110.4T59 E63 S64 L65T59-I61 PolarHBondContact O-N 3.29Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 PolarHBondContact O-N 3.41Å; I61-S64 PolarHBondContact O-N 3.42Å; I61-S64 PolarHBondContact O-OG 3.46Å; I61-L65 HydrophobicContact CG2-CD1 4.44Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.2Å; I61-L65 VanDerWaalsContact O-N 3.14Å
62E88.2Confident80.4Confident76 Ų76112.9 Ų112.936%0.35563%0.626SS.*Hα-helixtrans-61.8-38.8179.6-70.2172.9178.400112.3H56 K58 T59 L65 L66H56-E62 IonicContact CD2-OE2 3.63Å; H56-E62 IonicContact CE1-OE2 3.74Å; H56-E62 IonicContact NE2-OE1 3.68Å; H56-E62 IonicContact NE2-OE2 2.75Å; H56-E62 PolarHBondContact NE2-OE2 3.09Å; K58-E62 WeakPolarHBondContact CA-OE2 3.49Å; K58-E62 HydrophobicContact CB-CB 4.34Å; T59-E62 PolarHBondContact N-OE2 2.95Å; T59-E62 PolarHBondContact O-N 2.82Å; E62-L65 PolarHBondContact O-N 3.13Å; E62-L66 WeakPolarHBondContact O-CG 3.44Å; E62-L66 PolarHBondContact O-N 3.03Å
63E86.3Confident79.5Confident115 Ų115115.9 Ų115.954%0.53762%0.624SS.*Hα-helixtrans-64-43.2175.4-172.4175.2-170.600111.7T59 I61 L65 L66 N67T59-E63 PolarHBondContact O-N 3.14Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 PolarHBondContact O-N 3.41Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å; E63-L66 PolarHBondContact O-N 3.03Å; E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 VanDerWaalsContact O-N 3.12Å
64S80.8Confident78.8Confident66 Ų66116.1 Ų116.146%0.46261%0.608SS.*Hα-helixtrans-64.6-29.8178.775.50000113.7F60 I61 N67 P68F60-S64 WeakPolarHBondContact O-CB 3.45Å; F60-S64 PolarHBondContact O-N 3.35Å; F60-S64 VanDerWaalsContact O-N 3.13Å; F60-S64 PolarHBondContact O-OG 2.7Å; I61-S64 PolarHBondContact O-N 3.42Å; I61-S64 PolarHBondContact O-OG 3.46Å; S64-N67 CarbonylContact O-C 3.41Å; S64-P68 WeakPolarHBondContact O-CA 3.28Å
65L84.3Confident77.7Confident132 Ų132119 Ų11969%0.69161%0.612SS**Hα-helixtrans-75.6-33.2177-69.2174.4000112.3I61 E62 E63I61-L65 HydrophobicContact CG2-CD1 4.44Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.2Å; I61-L65 VanDerWaalsContact O-N 3.14Å; E62-L65 PolarHBondContact O-N 3.13Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å
66L84.8Confident76.8Confident118 Ų118121.6 Ų121.662%0.61863%0.626SS**Hα-helixtrans-78.1-29.3179-71.5176.4000113K58 E62 E63K58-L66 HydrophobicContact CD-CD1 4.04Å; E62-L66 WeakPolarHBondContact O-CG 3.44Å; E62-L66 PolarHBondContact O-N 3.03Å; E63-L66 PolarHBondContact O-N 3.03Å
67N79.7Confident75.2Confident118 Ų118121 Ų12163%0.63163%0.628SS**SBendtrans-130.678.7174.9-172.215.2000110E63 S64 V69E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 VanDerWaalsContact O-N 3.12Å; S64-N67 CarbonylContact O-C 3.41Å; N67-V69 PolarHBondContact O-N 3.08Å
68P79.9Confident74.1Confident90 Ų90119 Ų11958%0.58461%0.614SS**  trans-63.7108.7178.626.1-33000109S64 I70S64-P68 WeakPolarHBondContact O-CA 3.28Å; P68-I70 PolarHBondContact O-N 2.75Å
69V74.3Confident72.5Confident131 Ų131117 Ų11779%0.79463%0.627SS**  trans-62.5108173.2178.90000107.4N67 A71N67-V69 PolarHBondContact O-N 3.08Å; V69-A71 PolarHBondContact O-N 3.25Å; V69-A71 VanDerWaalsContact O-N 3.09Å
70I70.6Confident71Confident137 Ų137123.6 Ų123.670%0.70364%0.644SS**  trans-61.2116.6174.2-58.2174000106.5P68 T72P68-I70 PolarHBondContact O-N 2.75Å; I70-T72 VanDerWaalsContact C-N 3.28Å; I70-T72 HydrophobicContact CB-CG2 4.4Å; I70-T72 HydrophobicContact CG2-CG2 4.13Å; I70-T72 PolarHBondContact O-N 2.84Å
71A69.7Low69.9Low77 Ų77123.9 Ų123.964%0.63665%0.645SS**  trans-67.190.7174.200000108.5V69 Y73V69-A71 PolarHBondContact O-N 3.25Å; V69-A71 VanDerWaalsContact O-N 3.09Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.15Å
72T66.1Low68.7Low130 Ų130125.7 Ų125.780%0.79865%0.648SS**  trans-78.6-9.7-173.947.40000113I70I70-T72 VanDerWaalsContact C-N 3.28Å; I70-T72 HydrophobicContact CB-CG2 4.4Å; I70-T72 HydrophobicContact CG2-CG2 4.13Å; I70-T72 PolarHBondContact O-N 2.84Å
73Y55.6Low67Low176 Ų176125.8 Ų125.869%0.6966%0.656SS**  trans-166.2111.5179.5-168.2-113.2000112.5A71A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.15Å
74N60.9Low65.4Low80 Ų80124.5 Ų124.543%0.42866%0.657SS.*  trans-92.6142.2164.8-69-21.9000109.4K76 E78N74-K76 PolarHBondContact O-N 3.49Å; N74-E78 VanDerWaalsContact CB-CD 3.49Å; N74-E78 HydrophobicContact CB-CG 4.15Å; N74-E78 PolarHBondContact ND2-OE1 3.17Å; N74-E78 PolarHBondContact ND2-OE2 2.85Å
75F58.8Low64Low152 Ų152127.2 Ų127.267%0.66767%0.666SS**  trans-52.5129.6170.7-175.3-120.9000108.7N77 E78F75-N77 HydrophobicContact CD1-CB 3.66Å; F75-N77 VanDerWaalsContact CD1-CG 3.46Å; F75-N77 HydrophobicContact CE1-CB 3.8Å; F75-N77 WeakPolarHBondContact CE1-ND2 3.2Å; F75-N77 WeakPolarHBondContact CE1-OD1 3.46Å; F75-N77 PolarHBondContact O-N 3.16Å; F75-E78 PolarHBondContact O-N 3.4Å
76K59.9Low62.5Low180 Ų180126.7 Ų126.778%0.78367%0.668SS**THydrogen-bonded Turntrans-60.214-172.1-73.7-154.1175.5-169.60116.1N74N74-K76 PolarHBondContact O-N 3.49Å
77N51.8Low61Low117 Ų117127.8 Ų127.863%0.62667%0.67SS**THydrogen-bonded Turntrans-101.311.3179.2-57.123.5000111.7F75 G79F75-N77 HydrophobicContact CD1-CB 3.66Å; F75-N77 VanDerWaalsContact CD1-CG 3.46Å; F75-N77 HydrophobicContact CE1-CB 3.8Å; F75-N77 WeakPolarHBondContact CE1-ND2 3.2Å; F75-N77 WeakPolarHBondContact CE1-OD1 3.46Å; F75-N77 PolarHBondContact O-N 3.16Å; N77-G79 PolarHBondContact O-N 3.18Å
78E60.3Low59.8Low108 Ų108129.5 Ų129.551%0.50567%0.667SS.*  trans-72.646.2169.6-68.4-163.8161.600113.2N74 F75 R80N74-E78 VanDerWaalsContact CB-CD 3.49Å; N74-E78 HydrophobicContact CB-CG 4.15Å; N74-E78 PolarHBondContact ND2-OE1 3.17Å; N74-E78 PolarHBondContact ND2-OE2 2.85Å; F75-E78 PolarHBondContact O-N 3.4Å; E78-R80 PolarHBondContact O-N 2.89Å
79G53.1Low58.5Low77 Ų77131.7 Ų131.779%0.79467%0.674SS**  trans-71.77.6163.100000113.2N77N77-G79 PolarHBondContact O-N 3.18Å
80R58Low57.5Low211 Ų211132 Ų13280%0.79667%0.671SS**  trans-139.593.3178.3-64.9-177.3-177.9167.9-0.5109.6E78 K82E78-R80 PolarHBondContact O-N 2.89Å; R80-K82 PolarHBondContact O-N 2.86Å
81K60Low56.9Low190 Ų190131.4 Ų131.483%0.82668%0.676SS**  trans-58.792.1156.8-65.4-74.6-175.9-177.40106.9
82K58.7Low56.5Low158 Ų158132.4 Ų132.469%0.68767%0.674SS**PPolyproline II helixtrans-72.1126.4166-70.7-162.5178.3-176.10106.4R80R80-K82 PolarHBondContact O-N 2.86Å
83P53.4Low56.1Low79 Ų79132.2 Ų132.251%0.51367%0.668SS.*PPolyproline II helixtrans-59.3148.4173.821.7-29.6000110.2Q87P83-Q87 VanDerWaalsContact CB-OE1 3.25Å
84P53.3Low56.2Low88 Ų88130.3 Ų130.357%0.57167%0.669SS**PPolyproline II helixtrans-58.7147.4-176.624.2-33.1000111.2V86 Q87P84-V86 PolarHBondContact O-N 2.93Å; P84-Q87 PolarHBondContact O-N 3.08Å; P84-Q87 VanDerWaalsContact O-N 3.08Å
85L49.9Very low56.2Low123 Ų123133.9 Ų133.964%0.64469%0.689SS**G310 helixtrans-52.5-25.4-174.8-172.164.7000113.6Q87 R88L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.3Å; L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.49Å
86V54.6Low56.5Low120 Ų120132.1 Ų132.173%0.72769%0.685SS**G310 helixtrans-64.4-27.9-179-1740000113.1P84 R88P84-V86 PolarHBondContact O-N 2.93Å; V86-R88 PolarHBondContact O-N 3.34Å
87Q53.3Low56.8Low141 Ų141129.2 Ų129.266%0.65969%0.685SS**G310 helixtrans-76.1-3.9176.7-81.7-179.1-20.600114P83 P84 L85 N89P83-Q87 VanDerWaalsContact CB-OE1 3.25Å; P84-Q87 PolarHBondContact O-N 3.08Å; P84-Q87 VanDerWaalsContact O-N 3.08Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.3Å; Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.17Å
88R53Low57.9Low155 Ų155132 Ų13259%0.58570%0.695SS**G310 helixtrans-83.5-1.1179.9-64.9-163.3176.9124.55.6114.7L85 V86 N90L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.49Å; V86-R88 PolarHBondContact O-N 3.34Å; R88-N90 PolarHBondContact O-N 3.28Å
89N52.2Low58.6Low136 Ų136135.5 Ų135.573%0.72770%0.704SS**G310 helixtrans-92.213.2-172.8-67.9-9.3000114.7Q87Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.17Å
90N53.5Low59.9Low137 Ų137139.6 Ų139.673%0.73371%0.705SS**  trans-84.4119.9166-85.2-21000109.2R88 V92R88-N90 PolarHBondContact O-N 3.28Å; N90-V92 PolarHBondContact O-N 2.85Å; N90-V92 VanDerWaalsContact O-N 3.13Å
91P59.4Low61.1Low125 Ų125133.5 Ų133.581%0.81269%0.693SS**SBendtrans-73.8-1.9-171.929-35.3000114.3
92V61.5Low62.2Low98 Ų98126.9 Ų126.959%0.59467%0.669SS**  trans-102.391-180-1700000109.1N90 N94N90-V92 PolarHBondContact O-N 2.85Å; N90-V92 VanDerWaalsContact O-N 3.13Å; V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 HydrophobicContact CG1-CB 4.45Å; V92-N94 VanDerWaalsContact CG1-CG 3.43Å; V92-N94 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N94 WeakPolarHBondContact CG1-OD1 3.4Å; V92-N94 PolarHBondContact O-N 3.39Å
93L56.3Low63.7Low126 Ų126121.2 Ų121.266%0.6666%0.656SS**  trans-78.570.4177-169.778.7000110.1L96L93-L96 HydrophobicContact CD1-CD1 3.65Å; L93-L96 HydrophobicContact CD1-CG 3.73Å; L93-L96 HydrophobicContact CD2-CB 4.06Å; L93-L96 HydrophobicContact CD2-CD1 3.61Å; L93-L96 HydrophobicContact CD2-CG 3.99Å; L93-L96 HydrophobicContact CG-CB 4.1Å; L93-L96 HydrophobicContact CG-CD1 3.92Å; L93-L96 HydrophobicContact CG-CG 3.84Å
94N57.6Low65.2Low135 Ų135124.7 Ų124.772%0.72266%0.663SS**  trans-82.5-9.7-177.8-81-19.7000114.7V92V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 HydrophobicContact CG1-CB 4.45Å; V92-N94 VanDerWaalsContact CG1-CG 3.43Å; V92-N94 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N94 WeakPolarHBondContact CG1-OD1 3.4Å; V92-N94 PolarHBondContact O-N 3.39Å
95D62.1Low66.7Low156 Ų156126.5 Ų126.583%0.83467%0.667SS**SBendtrans-114.14.9-169.8-65.5-17.5000114.6
96L63.7Low68.3Low114 Ų114124.2 Ų124.260%0.59766%0.656SS**SBendtrans-90.5127.9169.5-66.7-167.9000109L93 Q98L93-L96 HydrophobicContact CD1-CD1 3.65Å; L93-L96 HydrophobicContact CD1-CG 3.73Å; L93-L96 HydrophobicContact CD2-CB 4.06Å; L93-L96 HydrophobicContact CD2-CD1 3.61Å; L93-L96 HydrophobicContact CD2-CG 3.99Å; L93-L96 HydrophobicContact CG-CB 4.1Å; L93-L96 HydrophobicContact CG-CD1 3.92Å; L93-L96 HydrophobicContact CG-CG 3.84Å; L96-Q98 PolarHBondContact O-N 3.06Å; L96-Q98 VanDerWaalsContact O-N 3.09Å
97P66.7Low69.5Low119 Ų119123 Ų12377%0.77364%0.644SS**PPolyproline II helixtrans-58.2123.2170.825-32000107.9Y99P97-Y99 PolarHBondContact O-N 2.67Å; P97-Y99 VanDerWaalsContact O-N 3.08Å
98Q74.9Confident70.6Confident177 Ų177120.2 Ų120.283%0.82763%0.634SS**PPolyproline II helixtrans-51.4119.7173-17866.316.700107.9L96 M100L96-Q98 PolarHBondContact O-N 3.06Å; L96-Q98 VanDerWaalsContact O-N 3.09Å; Q98-M100 PolarHBondContact O-N 2.94Å
99Y76Confident71.7Confident180 Ų180120.5 Ų120.571%0.70664%0.639SS**  trans-64.3104.8179.8176.2-101.9000109.1P97 P101P97-Y99 PolarHBondContact O-N 2.67Å; P97-Y99 VanDerWaalsContact O-N 3.08Å; Y99-P101 HydrophobicContact CE1-CB 3.99Å
100M79.4Confident72.6Confident163 Ų163120.7 Ų120.780%0.80363%0.634SS**  trans-90.3115.6165.4-102.3-174.17200108Q98Q98-M100 PolarHBondContact O-N 2.94Å
101P83.3Confident73Confident84 Ų84121 Ų12155%0.54563%0.631SS.*PPolyproline II helixtrans-61.9144.2173.226.8-32.9000109.7Y99 G103Y99-P101 HydrophobicContact CE1-CB 3.99Å; P101-G103 PolarHBondContact O-N 2.9Å
102P83.8Confident73.2Confident50 Ų50119.5 Ų119.533%0.32563%0.629SS.*PPolyproline II helixtrans-61.2138.9178.525.8-33.8000110.7D106 L107P102-D106 HydrophobicContact CB-CB 4.05Å; P102-L107 HydrophobicContact CB-CD2 4.46Å; P102-L107 HydrophobicContact CG-CD2 3.96Å; P102-L107 HydrophobicContact CG-CG 4.5Å
103G89.1Confident73.1Confident40 Ų40119 Ų11941%0.41264%0.635SS.*PPolyproline II helixtrans-69.6165.6178.300000112.7P101 L105 D106 L107P101-G103 PolarHBondContact O-N 2.9Å; G103-L105 VanDerWaalsContact C-N 3.27Å; G103-L105 PolarHBondContact O-N 3.45Å; G103-D106 WeakPolarHBondContact O-CB 3.03Å; G103-D106 PolarHBondContact O-N 3.43Å; G103-L107 PolarHBondContact O-N 3.02Å; G103-L107 VanDerWaalsContact O-N 3.12Å
104F84.9Confident72.9Confident152 Ų152119.3 Ų119.367%0.66764%0.642SS**Hα-helixtrans-54.7-39.9-179.6-179.9-103.1000113.3D106 L107 L108F104-D106 VanDerWaalsContact C-N 3.33Å; F104-D106 PolarHBondContact O-N 3.2Å; F104-L107 PolarHBondContact O-N 3.44Å; F104-L108 HydrophobicContact CD1-CD1 3.91Å; F104-L108 HydrophobicContact CE1-CD1 3.41Å; F104-L108 VanDerWaalsContact CE1-CD1 3.41Å; F104-L108 HydrophobicContact CE1-CG 4.18Å; F104-L108 HydrophobicContact CZ-CD1 3.93Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 PolarHBondContact O-N 3.16Å
105L85.5Confident72.9Confident125 Ų125121.6 Ų121.665%0.65464%0.642SS**Hα-helixtrans-66.2-33.2176.7-64.5179000112.9G103 L108 K109G103-L105 VanDerWaalsContact C-N 3.27Å; G103-L105 PolarHBondContact O-N 3.45Å; L105-L108 HydrophobicContact CD2-CD1 4.44Å; L105-L108 PolarHBondContact O-N 3.39Å; L105-K109 WeakPolarHBondContact O-CG 3.45Å; L105-K109 PolarHBondContact O-N 2.98Å; L105-K109 VanDerWaalsContact O-N 3.13Å
106D82.4Confident72.6Confident76 Ų76118.6 Ų118.641%0.40663%0.633SS.*Hα-helixtrans-73-32.2177.3-68.1-25.6000111.7P102 G103 F104 K110P102-D106 HydrophobicContact CB-CB 4.05Å; G103-D106 WeakPolarHBondContact O-CB 3.03Å; G103-D106 PolarHBondContact O-N 3.43Å; F104-D106 VanDerWaalsContact C-N 3.33Å; F104-D106 PolarHBondContact O-N 3.2Å; D106-K110 VanDerWaalsContact O-CG 3.3Å; D106-K110 WeakPolarHBondContact O-CG 3.21Å; D106-K110 PolarHBondContact O-N 3.13Å
107L80.9Confident72.1Confident93 Ų93119.3 Ų119.349%0.48763%0.631SS.*Hα-helixtrans-68.3-43.1172.6-65.6176.1000111.4P102 G103 F104 K109 K110 Q111P102-L107 HydrophobicContact CB-CD2 4.46Å; P102-L107 HydrophobicContact CG-CD2 3.96Å; P102-L107 HydrophobicContact CG-CG 4.5Å; G103-L107 PolarHBondContact O-N 3.02Å; G103-L107 VanDerWaalsContact O-N 3.12Å; F104-L107 PolarHBondContact O-N 3.44Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.02Å; L107-K110 PolarHBondContact O-N 3.44Å; L107-Q111 PolarHBondContact O-N 3.09Å
108L77.3Confident71.5Confident84 Ų84122.3 Ų122.344%0.4463%0.632SS.*Hα-helixtrans-60-39.9175.1-81.6171.4000112.4F104 L105 K110 Q111F104-L108 HydrophobicContact CD1-CD1 3.91Å; F104-L108 HydrophobicContact CE1-CD1 3.41Å; F104-L108 VanDerWaalsContact CE1-CD1 3.41Å; F104-L108 HydrophobicContact CE1-CG 4.18Å; F104-L108 HydrophobicContact CZ-CD1 3.93Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 PolarHBondContact O-N 3.16Å; L105-L108 HydrophobicContact CD2-CD1 4.44Å; L105-L108 PolarHBondContact O-N 3.39Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 3.32Å; L108-Q111 PolarHBondContact O-N 3.08Å
109K74.7Confident70.7Confident161 Ų161119.5 Ų119.570%0.762%0.623SS**Hα-helixtrans-64.6-32.9174.2-73.2175-177.8173.30112.9L105 L107L105-K109 WeakPolarHBondContact O-CG 3.45Å; L105-K109 PolarHBondContact O-N 2.98Å; L105-K109 VanDerWaalsContact O-N 3.13Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.02Å
110K70.6Confident70.1Confident140 Ų140120 Ų12061%0.60963%0.629SS**Hα-helixtrans-79.6-20.5179.3-74173.4179.8178.30113.5D106 L107 L108 A112D106-K110 VanDerWaalsContact O-CG 3.3Å; D106-K110 WeakPolarHBondContact O-CG 3.21Å; D106-K110 PolarHBondContact O-N 3.13Å; L107-K110 PolarHBondContact O-N 3.44Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 3.32Å; K110-A112 PolarHBondContact O-N 3.08Å; K110-A112 VanDerWaalsContact O-N 3.09Å
111Q63.2Low69.3Low144 Ų144118 Ų11867%0.67363%0.628SS**G310 helixtrans-65.6-11-178.6-165.1169.9-3.800113.7L107 L108 A113L107-Q111 PolarHBondContact O-N 3.09Å; L108-Q111 PolarHBondContact O-N 3.08Å; Q111-A113 VanDerWaalsContact C-N 3.34Å; Q111-A113 PolarHBondContact O-N 3.23Å
112A62.8Low68.1Low93 Ų93123 Ų12377%0.76964%0.636SS**G310 helixtrans-82.99.3-176.600000116K110K110-A112 PolarHBondContact O-N 3.08Å; K110-A112 VanDerWaalsContact O-N 3.09Å
113A59.2Low67.1Low87 Ų87127.1 Ų127.172%0.71966%0.662SS**G310 helixtrans-151.948.6-177.800000115.2Q111 Y115Q111-A113 VanDerWaalsContact C-N 3.34Å; Q111-A113 PolarHBondContact O-N 3.23Å; A113-Y115 PolarHBondContact O-N 2.92Å
114T53.4Low65.5Low132 Ų132127.7 Ų127.781%0.8166%0.66SS**SBendtrans-83.893.9158.8-32.50000107.7
115Y57.2Low64.3Low184 Ų184125.6 Ų125.672%0.72266%0.662SS**  trans60.982.9159.6-166.5-103.9000115.8A113 F117A113-Y115 PolarHBondContact O-N 2.92Å; Y115-F117 HydrophobicContact CE1-CB 4.31Å; Y115-F117 WeakPolarHBondContact OH-CD2 3.45Å
116S55.1Low62.9Low93 Ų93123.3 Ų123.365%0.6566%0.656SS**  trans-93.7105.4153.960.40000108.2K118S116-K118 PolarHBondContact O-N 2.96Å
117F53Low61.7Low128 Ų128123.2 Ų123.256%0.56166%0.658SS**  trans-57.4123.5167.1-162.4-113000106.8Y115 D119Y115-F117 HydrophobicContact CE1-CB 4.31Å; Y115-F117 WeakPolarHBondContact OH-CD2 3.45Å; F117-D119 HydrophobicContact CD1-CB 3.85Å; F117-D119 WeakPolarHBondContact CD1-OD1 3.42Å; F117-D119 WeakPolarHBondContact CD1-OD2 3.44Å; F117-D119 HydrophobicContact CE1-CB 4.35Å; F117-D119 WeakPolarHBondContact CE1-OD1 3.3Å; F117-D119 WeakPolarHBondContact CE1-OD2 3.14Å; F117-D119 PolarHBondContact O-N 3.5Å
118K55.8Low60.4Low182 Ų182125.3 Ų125.379%0.79167%0.669SS**  trans-73.445.8179.7-66-67.2-172-1740111S116 K120S116-K118 PolarHBondContact O-N 2.96Å; K118-K120 PolarHBondContact O-N 3.3Å
119D58.1Low59.2Low118 Ų118127.1 Ų127.163%0.63168%0.684SS**  trans-7399166-88.5-10000107.4F117 P121F117-D119 HydrophobicContact CD1-CB 3.85Å; F117-D119 WeakPolarHBondContact CD1-OD1 3.42Å; F117-D119 WeakPolarHBondContact CD1-OD2 3.44Å; F117-D119 HydrophobicContact CE1-CB 4.35Å; F117-D119 WeakPolarHBondContact CE1-OD1 3.3Å; F117-D119 WeakPolarHBondContact CE1-OD2 3.14Å; F117-D119 PolarHBondContact O-N 3.5Å; D119-P121 WeakPolarHBondContact O-CD 3.01Å
120K63.1Low58.1Low192 Ų192124.3 Ų124.384%0.83568%0.677SS**PPolyproline II helixtrans-55.9121.1156-67.5-175.5177.7-178.40105.6K118 R122K118-K120 PolarHBondContact O-N 3.3Å; K120-R122 PolarHBondContact O-N 2.91Å
121P62.3Low57.4Low119 Ų119124.5 Ų124.577%0.77368%0.677SS**PPolyproline II helixtrans-54.2130.8173.222.5-31.4000107.4D119D119-P121 WeakPolarHBondContact O-CD 3.01Å
122R58.1Low57.1Low190 Ų190123.2 Ų123.272%0.71768%0.675SS**PPolyproline II helixtrans-55.8136.6175.4-73.7-175.3-156.1-150.74.1107.4K120 S124K120-R122 PolarHBondContact O-N 2.91Å; R122-S124 PolarHBondContact O-N 2.86Å
123P62.5Low56.9Low136 Ų136127.2 Ų127.288%0.88368%0.678SS**SBendtrans-59.9-17.3-177.822.4-32.5000113.3
124S56.3Low57.1Low52 Ų52128.1 Ų128.136%0.36468%0.679SS.*  trans-144.290.6179.356.70000112.2R122 S126 T127R122-S124 PolarHBondContact O-N 2.86Å; S124-S126 VanDerWaalsContact C-N 3.26Å; S124-S126 PolarHBondContact O-N 2.91Å; S124-T127 VanDerWaalsContact CB-OG1 3.28Å; S124-T127 WeakPolarHBondContact CB-OG1 3.34Å; S124-T127 PolarHBondContact O-OG1 2.92Å; S124-T127 PolarHBondContact OG-OG1 3.17Å
125P58.9Low57.6Low108 Ų108125.8 Ų125.870%0.70166%0.661SS**SBendtrans-69.3-22.1175.826.5-32.6000113.3
126S57.2Low58.1Low77 Ų77126.3 Ų126.354%0.53867%0.67SS.*G310 helixtrans-75.6-25-178.253.50000114.6S124 L128 V129 D130S124-S126 VanDerWaalsContact C-N 3.26Å; S124-S126 PolarHBondContact O-N 2.91Å; S126-L128 PolarHBondContact O-N 3.17Å; S126-V129 PolarHBondContact O-N 3.07Å; S126-D130 PolarHBondContact O-N 2.9Å
127T56.6Low58.7Low74 Ų74125.5 Ų125.545%0.45466%0.658SS.*G310 helixtrans-67.9-4.1-179.325.90000115.3S124S124-T127 VanDerWaalsContact CB-OG1 3.28Å; S124-T127 WeakPolarHBondContact CB-OG1 3.34Å; S124-T127 PolarHBondContact O-OG1 2.92Å; S124-T127 PolarHBondContact OG-OG1 3.17Å
128L53.4Low59.6Low137 Ų137122.3 Ų122.372%0.71765%0.651SS**G310 helixtrans-86.8-18.1177.3-125.8165.3000112.6S126S126-L128 PolarHBondContact O-N 3.17Å
129V52.6Low60.2Low122 Ų122119.7 Ų119.774%0.73965%0.653SS**THydrogen-bonded Turntrans-119.2-28.7-172.5-172.10000112.3S126 K131S126-V129 PolarHBondContact O-N 3.07Å; V129-K131 PolarHBondContact O-N 3.5Å
130D50.4Low60.6Low103 Ų103117.2 Ų117.255%0.55166%0.655SS**THydrogen-bonded Turntrans-9867.7-179.9-84.7-24.5000113.2S126S126-D130 PolarHBondContact O-N 2.9Å
131K56.4Low60.9Low143 Ų143113.8 Ų113.862%0.62264%0.642SS**THydrogen-bonded Turntrans-119.7-12.6164.2-67-156.3176-168.90114.8V129 L135V129-K131 PolarHBondContact O-N 3.5Å; K131-L135 WeakPolarHBondContact O-CD1 3.45Å; K131-L135 WeakPolarHBondContact O-CG 3.14Å
132D57.6Low60.8Low117 Ų117115.9 Ų115.963%0.62664%0.636SS**SBendtrans-101.3-14.1-167.1-64.5-8.7000114S134 L135D132-S134 PolarHBondContact O-N 3.26Å; D132-L135 PolarHBondContact O-N 3.07Å
133Q58.9Low61.2Low178 Ų178114.3 Ų114.383%0.83264%0.642SS**THydrogen-bonded Turntrans-67.1-19.2-175.8-71.4-175.33.800114.5
134S61.8Low61.2Low106 Ų106112 Ų11274%0.74163%0.625SS**THydrogen-bonded Turntrans-112.84.5179.560.10000114.1D132 Q136D132-S134 PolarHBondContact O-N 3.26Å; S134-Q136 PolarHBondContact O-N 3.47Å; S134-Q136 VanDerWaalsContact O-N 3.11Å
135L63.9Low61.7Low83 Ų83116.7 Ų116.744%0.43565%0.645SS.*  trans-82.992.7-177.7-68.4179.4000111K131 D132 L137K131-L135 WeakPolarHBondContact O-CD1 3.45Å; K131-L135 WeakPolarHBondContact O-CG 3.14Å; D132-L135 PolarHBondContact O-N 3.07Å; L135-L137 VanDerWaalsContact C-N 3.3Å; L135-L137 HydrophobicContact CB-CD1 4.28Å; L135-L137 HydrophobicContact CB-CG 4.23Å; L135-L137 HydrophobicContact CD1-CD1 4.49Å; L135-L137 PolarHBondContact O-N 2.92Å
136Q67.4Low62.1Low195 Ų195116.8 Ų116.891%0.91165%0.646SS**  trans-75.380.6167.2-69.2-81.2-29.400109.4S134S134-Q136 PolarHBondContact O-N 3.47Å; S134-Q136 VanDerWaalsContact O-N 3.11Å
137L69.6Low62.8Low76 Ų76117.2 Ų117.240%0.39865%0.654SS.*  trans-106139.5176.3-62.4174.4000110.7L135L135-L137 VanDerWaalsContact C-N 3.3Å; L135-L137 HydrophobicContact CB-CD1 4.28Å; L135-L137 HydrophobicContact CB-CG 4.23Å; L135-L137 HydrophobicContact CD1-CD1 4.49Å; L135-L137 PolarHBondContact O-N 2.92Å
138S70.9Confident63.7Low60 Ų60119.8 Ų119.842%0.4267%0.672SS.*  trans-73.7151.3171.750.60000110.9G140 Q141S138-G140 PolarHBondContact O-N 3.13Å; S138-Q141 PolarHBondContact O-N 3.43Å; S138-Q141 PolarHBondContact OG-OE1 3.06Å
139P68.5Low64.9Low128 Ų128118.7 Ų118.783%0.83167%0.671SS**THydrogen-bonded Turntrans-55.6113.4174.1-24.133.8000110.6
140G65.7Low66.1Low65 Ų65116.6 Ų116.667%0.6766%0.66SS**THydrogen-bonded Turntrans110.7-7.2-178.400000115.6S138 Y142S138-G140 PolarHBondContact O-N 3.13Å; G140-Y142 PolarHBondContact O-N 3.23Å
141Q69.3Low67.3Low120 Ų120121.7 Ų121.756%0.56168%0.677SS**  trans-9952-178.8-161.3152.6-42.200112.3S138 N143S138-Q141 PolarHBondContact O-N 3.43Å; S138-Q141 PolarHBondContact OG-OE1 3.06Å; Q141-N143 PolarHBondContact O-N 3.21Å
142Y61.2Low68.2Low164 Ų164124.1 Ų124.164%0.64368%0.683SS**  trans-94.646.5-178.7-55.6-76.7000112.9G140 V144G140-Y142 PolarHBondContact O-N 3.23Å; Y142-V144 PolarHBondContact O-N 3.4Å
143N66.5Low68.8Low157 Ų157123.1 Ų123.184%0.8469%0.691SS**  trans-84.366.3166.9-78.1-26.1000109.3Q141 L145Q141-N143 PolarHBondContact O-N 3.21Å; N143-L145 PolarHBondContact O-N 3.3Å
144V62.2Low69Low87 Ų87119.5 Ų119.553%0.52769%0.686SS.*  trans-87.19.4178.8-154.80000111.4Y142 P146Y142-V144 PolarHBondContact O-N 3.4Å; V144-P146 WeakPolarHBondContact O-CD 3.12Å
145L67.3Low69Low150 Ų150126.1 Ų126.179%0.78569%0.694SS**PPolyproline II helixtrans-64.8121.7175.9-64.6-179000107.9N143 A147N143-L145 PolarHBondContact O-N 3.3Å; L145-A147 PolarHBondContact O-N 3.12Å
146P67.7Low68.7Low111 Ų111126.3 Ų126.372%0.72170%0.703SS**PPolyproline II helixtrans-56.4141.6175.623.7-32000108.6V144V144-P146 WeakPolarHBondContact O-CD 3.12Å
147A72.1Confident68.3Low85 Ų85121.2 Ų121.270%0.70269%0.688SS**PPolyproline II helixtrans-48.1132.6176.900000109.2L145 V149L145-A147 PolarHBondContact O-N 3.12Å; A147-V149 PolarHBondContact O-N 3.45Å
148P74.1Confident67.8Low128 Ų128123.4 Ų123.483%0.83170%0.704SS**  trans-50.3115.1-177.5-27.833.9000110.4
149V78.9Confident67.2Low115 Ų115130.7 Ų130.770%0.69773%0.728SS**  trans-63.3128.9-178.5177.70000108.1A147 K151A147-V149 PolarHBondContact O-N 3.45Å; V149-K151 PolarHBondContact O-N 2.98Å
150P77.8Confident66.8Low78 Ų78134.8 Ų134.851%0.50673%0.727SS.*  trans-58.811817722-31.5000109.5Y152P150-Y152 HydrophobicContact CB-CE2 4.03Å; P150-Y152 HydrophobicContact CG-CE2 3.87Å; P150-Y152 WeakPolarHBondContact O-CD2 3.38Å; P150-Y152 PolarHBondContact O-N 3.25Å
151K75.6Confident66.7Low210 Ų210134.5 Ų134.591%0.91372%0.715SS**  trans-82.498.1176.4-65.9-179.5-176.4176.20108.2V149V149-K151 PolarHBondContact O-N 2.98Å
152Y75.6Confident66.3Low194 Ų194135.9 Ų135.976%0.76173%0.732SS**PPolyproline II helixtrans-75.1138.8169.2-57.1-77.2000109.5P150 S154P150-Y152 HydrophobicContact CB-CE2 4.03Å; P150-Y152 HydrophobicContact CG-CE2 3.87Å; P150-Y152 WeakPolarHBondContact O-CD2 3.38Å; P150-Y152 PolarHBondContact O-N 3.25Å; Y152-S154 PolarHBondContact O-N 2.96Å; Y152-S154 VanDerWaalsContact O-N 3.07Å
153A70.7Confident66.7Low96 Ų96133 Ų13379%0.79373%0.731SS**PPolyproline II helixtrans-57.7116.617200000109R155A153-R155 PolarHBondContact O-N 3.41Å; A153-R155 VanDerWaalsContact O-N 3.17Å
154S62.2Low66.6Low102 Ų102133.9 Ų133.971%0.71373%0.73SS**PPolyproline II helixtrans-65.5118.9179.560.60000109.3Y152Y152-S154 PolarHBondContact O-N 2.96Å; Y152-S154 VanDerWaalsContact O-N 3.07Å
155R61.1Low66.7Low244 Ų244139 Ų13992%0.92174%0.74SS**  trans-80.2-4.1172.4-68.4-165.8174.7-164.3-0.3112.8A153 C157A153-R155 PolarHBondContact O-N 3.41Å; A153-R155 VanDerWaalsContact O-N 3.17Å; R155-C157 PolarHBondContact O-N 3.09Å; R155-C157 VanDerWaalsContact O-N 3.08Å
156S59Low66.3Low87 Ų87140.2 Ų140.261%0.60874%0.739SS**  trans-78.796.8179.9700000110.5V158S156-V158 PolarHBondContact O-N 3.05Å
157C57.7Low66.2Low89 Ų89137.8 Ų137.860%0.60172%0.724SS**  trans-82.122.1176.560.80000113.4R155 F159 R160R155-C157 PolarHBondContact O-N 3.09Å; R155-C157 VanDerWaalsContact O-N 3.08Å; C157-F159 PolarHBondContact O-N 3.37Å; C157-R160 HydrophobicContact CB-CB 4.44Å; C157-R160 PolarHBondContact O-N 3.05Å
158V59.6Low65.6Low121 Ų121138.6 Ų138.673%0.73372%0.72SS**THydrogen-bonded Turntrans-61.6-17.9-169.9-138.60000113.5S156S156-V158 PolarHBondContact O-N 3.05Å
159F59.7Low64.9Low213 Ų213136.3 Ų136.393%0.93470%0.703SS**THydrogen-bonded Turntrans-115.816.8175.8-78.4-82.7000114.2C157C157-F159 PolarHBondContact O-N 3.37Å
160R58.1Low64.1Low215 Ų215139.6 Ų139.681%0.81171%0.705SS**SBendtrans-100.7123.8171.8-65.4-155.5174.2-142.5-0.4109.9C157 T162C157-R160 HydrophobicContact CB-CB 4.44Å; C157-R160 PolarHBondContact O-N 3.05Å; R160-T162 PolarHBondContact O-N 3.33Å
161S65.6Low63.3Low59 Ų59144.2 Ų144.241%0.41372%0.717SS.*  trans-60.6130.1170.453.60000109.5V163 R165S161-V163 PolarHBondContact O-N 3.02Å; S161-R165 PolarHBondContact OG-NE 3.19Å
162T60.5Low62.8Low149 Ų149139 Ų13991%0.91470%0.698SS**SBendtrans-64.9-11.4172.850.50000113.2R160 Q164R160-T162 PolarHBondContact O-N 3.33Å; T162-Q164 PolarHBondContact O-N 3.2Å
163V69.5Low62.4Low103 Ų103133.9 Ų133.962%0.62469%0.689SS**SBendtrans-73119.2175.5-178.60000109.3S161 R165S161-V163 PolarHBondContact O-N 3.02Å; V163-R165 PolarHBondContact O-N 2.8Å
164Q62.9Low62.3Low176 Ų176138 Ų13882%0.82269%0.691SS**  trans-6099.1168.1-169.6176.1-1.800107.6T162T162-Q164 PolarHBondContact O-N 3.2Å
165R66.1Low63Low193 Ų193141.7 Ų141.773%0.72870%0.697SS**  trans-62.3149.9170.7-62.5-174.8-175.6-136.70.3107.5S161 V163S161-R165 PolarHBondContact OG-NE 3.19Å; V163-R165 PolarHBondContact O-N 2.8Å
166F58.8Low63.5Low176 Ų176132.8 Ų132.877%0.77268%0.682SS**SBendtrans-22.5130.8-179.7-87.2-90000113.2T168F166-T168 PolarHBondContact O-N 3.37Å
167P64Low64.6Low61 Ų61131.8 Ų131.840%0.39667%0.673SS.*  trans-51.4115.1-17722.6-33.2000108.5T169 Y170P167-T169 PolarHBondContact O-N 2.74Å; P167-T169 PolarHBondContact O-OG1 3.26Å; P167-Y170 HydrophobicContact CG-CD2 4.12Å; P167-Y170 HydrophobicContact CG-CE2 3.77Å; P167-Y170 WeakPolarHBondContact O-CD2 3.39Å; P167-Y170 PolarHBondContact O-N 3.41Å
168T59.6Low65.6Low102 Ų102128.6 Ų128.663%0.62666%0.655SS**G310 helixtrans-67.7-0.9-173.755.50000111.9F166 Y170 F171 I172F166-T168 PolarHBondContact O-N 3.37Å; T168-Y170 PolarHBondContact O-N 3.17Å; T168-F171 PolarHBondContact O-N 3.11Å; T168-I172 PolarHBondContact O-N 3.23Å
169T61.2Low66.3Low79 Ų79129.1 Ų129.149%0.48566%0.661SS.*G310 helixtrans-56.1-31.5173.852.90000112.5P167 F171 I172P167-T169 PolarHBondContact O-N 2.74Å; P167-T169 PolarHBondContact O-OG1 3.26Å; T169-F171 VanDerWaalsContact C-N 3.27Å; T169-F171 PolarHBondContact O-N 2.86Å; T169-I172 PolarHBondContact O-N 2.99Å
170Y61.8Low66.7Low185 Ų185122.3 Ų122.373%0.72565%0.651SS**G310 helixtrans-77.6-10.1175.9-59-69.1000114.1P167 T168P167-Y170 HydrophobicContact CG-CD2 4.12Å; P167-Y170 HydrophobicContact CG-CE2 3.77Å; P167-Y170 WeakPolarHBondContact O-CD2 3.39Å; P167-Y170 PolarHBondContact O-N 3.41Å; T168-Y170 PolarHBondContact O-N 3.17Å
171F60.4Low67.6Low175 Ų175118 Ų11877%0.76864%0.644SS**G310 helixtrans-108.87.8176.2-70.4-78000112.5T168 T169 P173T168-F171 PolarHBondContact O-N 3.11Å; T169-F171 VanDerWaalsContact C-N 3.27Å; T169-F171 PolarHBondContact O-N 2.86Å; F171-P173 WeakPolarHBondContact O-CD 3.39Å
172I64.4Low68.3Low99 Ų99122 Ų12251%0.50865%0.651SS.*SBendtrans-79.7110.7169.8-57.1176.2000105.9T168 T169 H174T168-I172 PolarHBondContact O-N 3.23Å; T169-I172 PolarHBondContact O-N 2.99Å; I172-H174 PolarHBondContact O-N 2.77Å
173P67.4Low69.1Low88 Ų88121.7 Ų121.757%0.57164%0.644SS**  trans-58.8125.8175.625-32.2000108.7F171 E175F171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-E175 PolarHBondContact O-N 2.99Å
174H69.1Low69.4Low181 Ų181122.4 Ų122.484%0.83865%0.648SS**SBendtrans-71.9-21.1-178.2-70.4-66.6000112.9I172I172-H174 PolarHBondContact O-N 2.77Å
175E77.1Confident70.2Confident181 Ų181122.8 Ų122.885%0.84665%0.647SS**SBendtrans-140.6148-178.6-69.8-175.5160.600111.3P173P173-E175 PolarHBondContact O-N 2.99Å
176G71.6Confident70.4Confident57 Ų57120.9 Ų120.959%0.58865%0.65SS**SBendtrans102.5156.2174.800000114.3
177P81.2Confident71Confident65 Ų65117 Ų11742%0.42264%0.642SS.*  trans-63.3145.3175.126.9-32000110.3D181 Y182P177-D181 HydrophobicContact CB-CB 3.81Å; P177-Y182 HydrophobicContact CG-CD1 3.7Å; P177-Y182 HydrophobicContact CG-CE1 3.5Å; P177-Y182 HydrophobicContact CG-CE2 4.34Å; P177-Y182 HydrophobicContact CG-CG 4.22Å; P177-Y182 PolarHBondContact O-OH 3.46Å
178G79.9Confident71.5Confident23 Ų23119.8 Ų119.824%0.23766%0.66CS.*  trans-57.8157.6178.900000111.8G180 D181 Y182G178-G180 PolarHBondContact O-N 2.95Å; G178-D181 PolarHBondContact N-OD2 3.02Å; G178-D181 PolarHBondContact O-N 3.05Å; G178-Y182 WeakPolarHBondContact O-CE2 3.28Å
179P73.3Confident71.9Confident131 Ų131121.8 Ų121.885%0.85167%0.672SS**THydrogen-bonded Turntrans-59.6103.4173.425.3-32.6000109.6
180G68.8Low72.1Confident70 Ų70122.7 Ų122.772%0.72268%0.682SS**THydrogen-bonded Turntrans123.6-19.5-175.100000114.6G178 Y182G178-G180 PolarHBondContact O-N 2.95Å; G180-Y182 VanDerWaalsContact C-N 3.33Å
181D76Confident72.5Confident124 Ų124118.4 Ų118.466%0.66368%0.679SS**  trans-92.98.1-178.5-63.1-36000113P177 G178 N183P177-D181 HydrophobicContact CB-CB 3.81Å; G178-D181 PolarHBondContact N-OD2 3.02Å; G178-D181 PolarHBondContact O-N 3.05Å; D181-N183 PolarHBondContact O-N 3.09Å
182Y80.6Confident72.5Confident143 Ų143117.5 Ų117.556%0.56169%0.688SS**  trans-73.2117.1174.3-64.7-88.9000109.5P177 G178 G180 V184P177-Y182 HydrophobicContact CG-CD1 3.7Å; P177-Y182 HydrophobicContact CG-CE1 3.5Å; P177-Y182 HydrophobicContact CG-CE2 4.34Å; P177-Y182 HydrophobicContact CG-CG 4.22Å; P177-Y182 PolarHBondContact O-OH 3.46Å; G178-Y182 WeakPolarHBondContact O-CE2 3.28Å; G180-Y182 VanDerWaalsContact C-N 3.33Å; Y182-V184 VanDerWaalsContact C-N 3.27Å; Y182-V184 PolarHBondContact O-N 3.42Å
183N78.3Confident72.5Confident144 Ų144116.3 Ų116.377%0.7769%0.685SS**  trans-73.485.7169-166.3-8.5000109.1D181 K185D181-N183 PolarHBondContact O-N 3.09Å; N183-K185 VanDerWaalsContact C-N 3.33Å; N183-K185 PolarHBondContact O-N 2.83Å
184V75.5Confident72.7Confident118 Ų118115.1 Ų115.172%0.71568%0.679SS**  trans-6694.8171-98.60000108.1Y182 I186Y182-V184 VanDerWaalsContact C-N 3.27Å; Y182-V184 PolarHBondContact O-N 3.42Å; V184-I186 PolarHBondContact O-N 3.03Å
185K78.7Confident72.3Confident184 Ų184112.8 Ų112.880%0.868%0.682SS**  trans-60.2103.6164.3-66.6-174180-178.40106.6N183 P187N183-K185 VanDerWaalsContact C-N 3.33Å; N183-K185 PolarHBondContact O-N 2.83Å; K185-P187 WeakPolarHBondContact O-CD 3.45Å
186I70.1Confident71.6Confident152 Ų152112.6 Ų112.678%0.77968%0.678SS**  trans-62.3111.3175-57.8163.9000105.6V184V184-I186 PolarHBondContact O-N 3.03Å
187P72.8Confident71Confident94 Ų94115.9 Ų115.961%0.6168%0.678SS**  trans-61.2146.7175.526.6-31.9000108.2K185 T189K185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-T189 PolarHBondContact O-N 3.36Å
188P74.9Confident70.5Confident120 Ų120115.6 Ų115.678%0.77968%0.678SS**  trans-52.8142.3173.824.3-33.3000108.9S190P188-S190 PolarHBondContact O-N 3.21Å
189T67.3Low69.8Low144 Ų144126.7 Ų126.788%0.88371%0.713SS**  trans-54.894.3-175.549.60000110.7P187 S191P187-T189 PolarHBondContact O-N 3.36Å; T189-S191 PolarHBondContact O-N 3.39Å
190S64.6Low69.6Low98 Ų98125.5 Ų125.569%0.68570%0.703SS**  trans-71.4121166.656.20000106.8P188 V192P188-S190 PolarHBondContact O-N 3.21Å; S190-V192 PolarHBondContact O-N 3.23Å
191S69.6Low69.6Low96 Ų96126.7 Ų126.767%0.67170%0.698SS**  trans-52.4128.3170.4520000109.2T189 T193T189-S191 PolarHBondContact O-N 3.39Å; S191-T193 PolarHBondContact O-N 3.03Å; S191-T193 PolarHBondContact O-OG1 3.36Å
192V62.3Low69.1Low155 Ų155129.7 Ų129.794%0.93970%0.7SS**  trans-44.8114.7179.1176.30000109S190S190-V192 PolarHBondContact O-N 3.23Å
193T63.2Low68.6Low74 Ų74131.5 Ų131.545%0.45471%0.711SS.*  trans-118.6118.6-173.57.40000107.2S191 Q197S191-T193 PolarHBondContact O-N 3.03Å; S191-T193 PolarHBondContact O-OG1 3.36Å; T193-Q197 HydrophobicContact CG2-CG 3.88Å
194S71.6Confident68Low63 Ų63131.7 Ų131.744%0.44171%0.711SS.*  trans-64.1152-178.264.90000111F196 Q197S194-F196 PolarHBondContact O-N 3.37Å; S194-F196 VanDerWaalsContact O-N 3.11Å; S194-Q197 WeakPolarHBondContact O-CG 3.39Å; S194-Q197 PolarHBondContact O-N 3.03Å
195C60.8Low67.6Low133 Ų133131 Ų13190%0.89971%0.709SS**THydrogen-bonded Turntrans-62.5-12.9170.713.20000112.7
196F63Low66.9Low176 Ų176127.6 Ų127.677%0.77271%0.708SS**THydrogen-bonded Turntrans-100.746.3171.2-67-86.7000111.6S194 S198S194-F196 PolarHBondContact O-N 3.37Å; S194-F196 VanDerWaalsContact O-N 3.11Å; F196-S198 PolarHBondContact O-N 3Å
197Q58.7Low66.5Low126 Ų126131.4 Ų131.459%0.58971%0.713SS**  trans-67.598.6167.6-89.6-179.982.500109.1T193 S194 R199T193-Q197 HydrophobicContact CG2-CG 3.88Å; S194-Q197 WeakPolarHBondContact O-CG 3.39Å; S194-Q197 PolarHBondContact O-N 3.03Å; Q197-R199 PolarHBondContact O-N 3.38Å
198S70.7Confident66.5Low60 Ų60130.5 Ų130.542%0.4271%0.709SS.*  trans-59.3122.6167.757.50000108.3F196 V200F196-S198 PolarHBondContact O-N 3Å; S198-V200 PolarHBondContact O-N 2.96Å; S198-V200 PolarHBondContact OG-O 2.89Å; S198-V200 VanDerWaalsContact OG-O 3.09Å
199R65.4Low66.3Low256 Ų256135.1 Ų135.197%0.96672%0.717SS**SBendtrans-60.8-9.3170.7-73.7-176.5167.5176.8-3.5113.2Q197Q197-R199 PolarHBondContact O-N 3.38Å
200V69.8Low66.8Low105 Ų105132.6 Ų132.664%0.63670%0.701SS**SBendtrans-92.3119.8175.2-175.50000108.8S198 R202S198-V200 PolarHBondContact O-N 2.96Å; S198-V200 PolarHBondContact OG-O 2.89Å; S198-V200 VanDerWaalsContact OG-O 3.09Å; V200-R202 PolarHBondContact O-N 3.18Å
201P68.4Low67.6Low96 Ų96130.7 Ų130.762%0.62369%0.687SS**  trans-64109.9171.925.9-31.1000108.4F203P201-F203 PolarHBondContact O-N 3.11Å
202R65.6Low68Low187 Ų187127.9 Ų127.971%0.70667%0.673SS**SBendtrans-62.7-24-179.3-79.5-174.5-95.7171.7-4.2112.9V200V200-R202 PolarHBondContact O-N 3.18Å
203F68.6Low68.6Low180 Ų180127.2 Ų127.279%0.78967%0.672SS**SBendtrans-136128.5175.9-57.8-66.5000109.5P201P201-F203 PolarHBondContact O-N 3.11Å
204L66.8Low68.9Low149 Ų149127.3 Ų127.378%0.7869%0.687SS**  trans-65.2134.3164.8-65.5171.9000107.4S206L204-S206 PolarHBondContact O-N 3.31Å
205P65.9Low69.2Low103 Ų103127.3 Ų127.367%0.66969%0.692SS**  trans-59.3113.6173.624-31.4000108R207P205-R207 PolarHBondContact O-N 3.03Å
206S64.1Low70Confident112 Ų112128.1 Ų128.178%0.78368%0.677SS**  trans-62.699.9174.5177.10000108.1L204 S208L204-S206 PolarHBondContact O-N 3.31Å; S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 VanDerWaalsContact O-N 3.13Å
207R62.9Low70.6Confident232 Ų232125.8 Ų125.888%0.87568%0.677SS**  trans-82.480.4170.9-69-173.4179.5179.30.4107.7P205 K209P205-R207 PolarHBondContact O-N 3.03Å; R207-K209 PolarHBondContact O-N 3.13Å
208S71.3Confident70.9Confident76 Ų76126.2 Ų126.253%0.53169%0.689SS.*  trans-68.112816759.20000108.6S206 T210S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 VanDerWaalsContact O-N 3.13Å; S208-T210 PolarHBondContact O-N 2.89Å; S208-T210 PolarHBondContact OG-O 3.25Å
209K71.9Confident70.7Confident216 Ų216130.9 Ų130.994%0.93971%0.708SS**SBendtrans-62-21.5168.5-73.3-177.7178.4-179.90111.5R207R207-K209 PolarHBondContact O-N 3.13Å
210T77Confident70.5Confident91 Ų91127.6 Ų127.656%0.55870%0.695SS**SBendtrans-81.3120177.1-22.60000109.3S208S208-T210 PolarHBondContact O-N 2.89Å; S208-T210 PolarHBondContact OG-O 3.25Å
211P81Confident70.2Confident59 Ų59130 Ų13038%0.38370%0.7SS.*PPolyproline II helixtrans-59.5139.517223.7-31.2000109.7A215 Y216P211-A215 HydrophobicContact CB-CB 3.69Å; P211-Y216 HydrophobicContact CG-CD1 4.12Å; P211-Y216 HydrophobicContact CG-CE1 3.52Å; P211-Y216 HydrophobicContact CG-CE2 4.36Å
212G78.4Confident69.7Low37 Ų37132.2 Ų132.238%0.38170%0.7SS.*PPolyproline II helixtrans-61.8160.5177.600000112.1G214 A215G212-G214 PolarHBondContact O-N 3.45Å; G212-A215 WeakPolarHBondContact O-CB 3.45Å; G212-A215 PolarHBondContact O-N 3.12Å
213P74.7Confident69.5Low140 Ų140127.3 Ų127.391%0.90969%0.692SS**THydrogen-bonded Turntrans-56.2118.6173.425-32.9000109.3
214G70.7Confident69.3Low76 Ų76125.8 Ų125.878%0.78469%0.685SS**THydrogen-bonded Turntrans102.5-7.3-175.300000116.3G212G212-G214 PolarHBondContact O-N 3.45Å
215A76.9Confident69.5Low64 Ų64122.6 Ų122.653%0.52967%0.666SS.*  trans-87.9-3.2174.700000113.8P211 G212 T217P211-A215 HydrophobicContact CB-CB 3.69Å; G212-A215 WeakPolarHBondContact O-CB 3.45Å; G212-A215 PolarHBondContact O-N 3.12Å; A215-T217 PolarHBondContact O-N 3.21Å
216Y78.3Confident70Confident149 Ų149120.1 Ų120.158%0.58465%0.651SS**SBendtrans-75.2122.3170.9-57.8-81.7000109.4P211 T218P211-Y216 HydrophobicContact CG-CD1 4.12Å; P211-Y216 HydrophobicContact CG-CE1 3.52Å; P211-Y216 HydrophobicContact CG-CE2 4.36Å; Y216-T218 PolarHBondContact O-N 2.91Å
217T74.6Confident70.4Confident127 Ų127119.7 Ų119.778%0.77965%0.646SS**  trans-71.3124.7170.148.30000108.7A215 L219A215-T217 PolarHBondContact O-N 3.21Å; T217-L219 PolarHBondContact O-N 3.1Å; T217-L219 VanDerWaalsContact O-N 3.1Å
218T66.8Low71.1Confident136 Ų136113.7 Ų113.783%0.83464%0.636SS**  trans-72107.7174.150.20000108.4Y216 R220Y216-T218 PolarHBondContact O-N 2.91Å; T218-R220 PolarHBondContact O-N 3.49Å
219L66.1Low71.2Confident157 Ų157113.2 Ų113.282%0.82263%0.626SS**  trans-58.5124.6166.1-71.7170.1000107.1T217 Q221T217-L219 PolarHBondContact O-N 3.1Å; T217-L219 VanDerWaalsContact O-N 3.1Å; L219-Q221 PolarHBondContact O-N 3.43Å
220R61Low71.3Confident187 Ų187104.8 Ų104.871%0.70660%0.597SS**  trans-58107.8175.3-77.2-174.8173-146.5-3.1107.6T218 F222T218-R220 PolarHBondContact O-N 3.49Å; R220-F222 HydrophobicContact CB-CD2 4.25Å; R220-F222 HydrophobicContact CB-CE2 3.81Å; R220-F222 VanDerWaalsContact O-CD2 3.28Å; R220-F222 WeakPolarHBondContact O-CD2 3.28Å; R220-F222 PolarHBondContact O-N 3.07Å; R220-F222 VanDerWaalsContact O-N 3.12Å
221Q62.8Low71.4Confident156 Ų156107.5 Ų107.573%0.72960%0.601SS**  trans-62.4116.1172.4-77.1179-39.100108.3L219L219-Q221 PolarHBondContact O-N 3.43Å
222F57.3Low71.2Confident143 Ų143108.5 Ų108.563%0.62760%0.601SS**SBendtrans-106.6140.2164.4-72.9-85.1000107.5R220R220-F222 HydrophobicContact CB-CD2 4.25Å; R220-F222 HydrophobicContact CB-CE2 3.81Å; R220-F222 VanDerWaalsContact O-CD2 3.28Å; R220-F222 WeakPolarHBondContact O-CD2 3.28Å; R220-F222 PolarHBondContact O-N 3.07Å; R220-F222 VanDerWaalsContact O-N 3.12Å
223P62.3Low71Confident84 Ų84107 Ų10755%0.54559%0.585SS.*SBendcis-83.4139.18.531.1-33000113.3Q225P223-Q225 PolarHBondContact O-N 3.32Å
224K65.1Low71Confident147 Ų147110.6 Ų110.664%0.63958%0.581SS**PPolyproline II helixtrans-59.4128.3166-76-179.2177.2-179.60108S226K224-S226 PolarHBondContact O-N 3.04Å
225Q70.1Confident71.3Confident82 Ų82114 Ų11438%0.38358%0.576SS.*PPolyproline II helixtrans-51.3137.8172.2-70.6176-12.200109.7P223 F240 N242P223-Q225 PolarHBondContact O-N 3.32Å; Q225-F240 PolarHBondContact NE2-O 3.27Å; Q225-N242 WeakPolarHBondContact CG-ND2 3.46Å
226S76.3Confident71.4Confident51 Ų51117 Ų11736%0.35758%0.58SS.*PPolyproline II helixtrans-61.1146.5176.370.30000109.6K224 T228 I229 A230K224-S226 PolarHBondContact O-N 3.04Å; S226-T228 PolarHBondContact O-N 3.1Å; S226-T228 VanDerWaalsContact O-N 3.1Å; S226-I229 PolarHBondContact O-N 3.03Å; S226-I229 WeakPolarHBondContact OG-CD1 3.18Å; S226-I229 WeakPolarHBondContact OG-CG1 3.38Å; S226-A230 PolarHBondContact O-N 2.97Å
227P73.7Confident71.2Confident103 Ų103114.3 Ų114.367%0.66958%0.582SS**Hα-helixtrans-58.5-27.4-177.119.5-30.6000112.9K231P227-K231 WeakPolarHBondContact O-CG 3.44Å; P227-K231 PolarHBondContact O-N 3.01Å
228T77.8Confident71Confident107 Ų107112.5 Ų112.566%0.65657%0.567SS**Hα-helixtrans-65.6-45.1174.2-46.10000112S226 K231 M232S226-T228 PolarHBondContact O-N 3.1Å; S226-T228 VanDerWaalsContact O-N 3.1Å; T228-K231 PolarHBondContact O-N 3.38Å; T228-M232 PolarHBondContact O-N 3.1Å; T228-M232 VanDerWaalsContact O-N 3.1Å
229I73.3Confident71.2Confident66 Ų66114 Ų11434%0.33856%0.562SS.*Hα-helixtrans-69-40.1178-68.6170.9000110.5S226 K231 M232 G233 F240S226-I229 PolarHBondContact O-N 3.03Å; S226-I229 WeakPolarHBondContact OG-CD1 3.18Å; S226-I229 WeakPolarHBondContact OG-CG1 3.38Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 3.39Å; I229-M232 PolarHBondContact O-N 3.1Å; I229-G233 PolarHBondContact O-N 3.01Å; I229-F240 HydrophobicContact CG2-CD2 3.61Å; I229-F240 HydrophobicContact CG2-CE2 4.17Å; I229-F240 HydrophobicContact CG2-CG 4.48Å
230A73.9Confident71.1Confident38 Ų38111.2 Ų111.231%0.31454%0.544SS..Hα-helixtrans-63-35.1176.300000112.7S226 R234S226-A230 PolarHBondContact O-N 2.97Å; A230-R234 PolarHBondContact O-N 3.21Å
231K77.4Confident71.1Confident148 Ų148108.7 Ų108.764%0.64354%0.544SS*.Hα-helixtrans-66.8-45.5172.3-81.6-173.7175.3-1720111.6P227 T228 I229 G233 R234 E235P227-K231 WeakPolarHBondContact O-CG 3.44Å; P227-K231 PolarHBondContact O-N 3.01Å; T228-K231 PolarHBondContact O-N 3.38Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 3.39Å; K231-G233 PolarHBondContact O-N 3.4Å; K231-R234 PolarHBondContact O-N 3.05Å; K231-E235 WeakPolarHBondContact O-CG 3.32Å; K231-E235 PolarHBondContact O-N 3.47Å
232M76.8Confident71.1Confident80 Ų80103.5 Ų103.539%0.39452%0.522SS..Hα-helixtrans-57.2-38.2177-172.2-175.3-7500112.1T228 I229 R234 H236 L238 F240T228-M232 PolarHBondContact O-N 3.1Å; T228-M232 VanDerWaalsContact O-N 3.1Å; I229-M232 PolarHBondContact O-N 3.1Å; M232-R234 PolarHBondContact O-N 2.75Å; M232-H236 HydrophobicContact CG-CB 4.49Å; M232-H236 WeakPolarHBondContact O-CA 3.41Å; M232-H236 WeakPolarHBondContact O-CB 3.44Å; M232-H236 PolarHBondContact O-N 3.33Å; M232-L238 HydrophobicContact CG-CB 4.37Å; M232-L238 HydrophobicContact CG-CD1 4Å; M232-L238 HydrophobicContact SD-CD1 3.85Å; M232-F240 HydrophobicContact SD-CE2 4.28Å
233G75Confident71Confident5 Ų5102 Ų1025%0.05252%0.521CS..Hα-helixtrans-65.6-33.5175.400000114.6I229 K231 S237 L238I229-G233 PolarHBondContact O-N 3.01Å; K231-G233 PolarHBondContact O-N 3.4Å; G233-S237 WeakPolarHBondContact O-CA 3.4Å; G233-S237 PolarHBondContact O-N 3.41Å; G233-S237 VanDerWaalsContact O-N 3.1Å; G233-L238 WeakPolarHBondContact CA-O 3.4Å
234R74.2Confident70.6Confident217 Ų217107 Ų10782%0.81953%0.529SS*.Hα-helixtrans-77.6-42.1177.1-68.4-177.5-177.3-167.1-0.5112.6A230 K231 M232A230-R234 PolarHBondContact O-N 3.21Å; K231-R234 PolarHBondContact O-N 3.05Å; M232-R234 PolarHBondContact O-N 2.75Å
235E78.2Confident69.6Low146 Ų146108.2 Ų108.268%0.68254%0.541SS*.Hα-helixtrans-79-36.1-176.5-60.7-63.8161.300112.1K231K231-E235 WeakPolarHBondContact O-CG 3.32Å; K231-E235 PolarHBondContact O-N 3.47Å
236H78.1Confident68.4Low129 Ų129112.2 Ų112.260%0.59756%0.564SS**Hα-helixtrans-1218.6-170.7-56.3-60.3000113.9M232 L238M232-H236 HydrophobicContact CG-CB 4.49Å; M232-H236 WeakPolarHBondContact O-CA 3.41Å; M232-H236 WeakPolarHBondContact O-CB 3.44Å; M232-H236 PolarHBondContact O-N 3.33Å; H236-L238 HydrophobicContact CB-CD1 4.23Å; H236-L238 HydrophobicContact CB-CG 4.19Å; H236-L238 PolarHBondContact O-N 2.86Å; H236-L238 VanDerWaalsContact O-N 3.11Å
237S73.7Confident66.6Low92 Ų92123.2 Ų123.264%0.64361%0.606SS**  trans55.624.4-178.6-56.20000114.6G233 F239G233-S237 WeakPolarHBondContact O-CA 3.4Å; G233-S237 PolarHBondContact O-N 3.41Å; G233-S237 VanDerWaalsContact O-N 3.1Å; S237-F239 WeakPolarHBondContact O-CD2 3.1Å
238L71.4Confident66.3Low88 Ų88124.3 Ų124.346%0.46160%0.603SS.*  trans-92.298.7178.2-65.6177000110.6M232 G233 H236 F240M232-L238 HydrophobicContact CG-CB 4.37Å; M232-L238 HydrophobicContact CG-CD1 4Å; M232-L238 HydrophobicContact SD-CD1 3.85Å; G233-L238 WeakPolarHBondContact CA-O 3.4Å; H236-L238 HydrophobicContact CB-CD1 4.23Å; H236-L238 HydrophobicContact CB-CG 4.19Å; H236-L238 PolarHBondContact O-N 2.86Å; H236-L238 VanDerWaalsContact O-N 3.11Å; L238-F240 HydrophobicContact CB-CE2 4.32Å
239F70.8Confident65.7Low167 Ų167125.2 Ų125.273%0.73260%0.6SS**  trans-100115179.3-60.2-80.1000111.3S237S237-F239 WeakPolarHBondContact O-CD2 3.1Å
240F64.9Low65.2Low99 Ų99128.4 Ų128.443%0.43461%0.614SS.*  trans-90.9115.3176.1-63.2-83.4000110.5Q225 I229 M232 L238 N242Q225-F240 PolarHBondContact NE2-O 3.27Å; I229-F240 HydrophobicContact CG2-CD2 3.61Å; I229-F240 HydrophobicContact CG2-CE2 4.17Å; I229-F240 HydrophobicContact CG2-CG 4.48Å; M232-F240 HydrophobicContact SD-CE2 4.28Å; L238-F240 HydrophobicContact CB-CE2 4.32Å; F240-N242 PolarHBondContact O-N 3.32Å
241N61.1Low64.7Low134 Ų134133.8 Ų133.872%0.71763%0.632SS**  trans-76.1111171.3-100.5-33.3000109.6N243N241-N243 PolarHBondContact O-N 3.11Å
242N61Low63.9Low48 Ų48132.9 Ų132.926%0.25763%0.631SS.*  trans-82.449.6174.5-67-8.3000111.3Q225 F240 W244Q225-N242 WeakPolarHBondContact CG-ND2 3.46Å; F240-N242 PolarHBondContact O-N 3.32Å; N242-W244 HydrophobicContact CB-CE3 4.46Å; N242-W244 HydrophobicContact CB-CH2 4.26Å; N242-W244 HydrophobicContact CB-CZ3 4.1Å; N242-W244 PolarHBondContact O-N 3.02Å; N242-W244 WeakPolarHBondContact OD1-CH2 3.19Å
243N56.4Low63.1Low112 Ų112136.4 Ų136.460%0.59965%0.647SS**  trans-93.672.1174.3-73.5-8.4000109.1N241N241-N243 PolarHBondContact O-N 3.11Å
244W53.8Low62.2Low189 Ų189145.8 Ų145.872%0.71669%0.689SS**  trans-122.944.7172.1-32.9-68.2000112.8N242N242-W244 HydrophobicContact CB-CE3 4.46Å; N242-W244 HydrophobicContact CB-CH2 4.26Å; N242-W244 HydrophobicContact CB-CZ3 4.1Å; N242-W244 PolarHBondContact O-N 3.02Å; N242-W244 WeakPolarHBondContact OD1-CH2 3.19Å
245L43Very low61.3Low171 Ų171140.3 Ų140.390%0.89568%0.68SS**  trans-96.992158.2-89.2157.4000108.6
246L46.1Very low59.9Low167 Ų167139.8 Ų139.887%0.87468%0.679SS**  trans-88109.4158.5-88.7164.3000108.6
247K38.8Very low58.3Low282 Ų282140.8 Ų140.8100%1.22669%0.687SS**  trans169.90131.3-103.3-177.9175.9177.20110.3

Retrieved 247 of 247 residues in 29.7 ms (Link to these results)