A0A087XFE6_POEFO Loading...

Family with sequence similarity 117 member B

AlphaFold DB , UniProt , Accession A0A087XFE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1H50.2Low52.7Low237 Ų237155.7 Ų155.7100%1.09785%0.85SS**  0105.20-69-89.7000108.5
2L41.8Very low51.9Low179 Ų179157.8 Ų157.894%0.93785%0.849SS**  trans-130.494175.3-78.7167.2000107.1
3T52.7Low51.1Low143 Ų143161.1 Ų161.188%0.87786%0.856SS**  trans-99.797173.7-45.20000106.7
4G56.9Low50.5Low56 Ų56161.9 Ų161.958%0.57785%0.853SS**PPolyproline II helixtrans-93.6135.3168.900000109.7
5P66.7Low50.4Low130 Ų130163.2 Ų163.284%0.84485%0.852SS**PPolyproline II helixtrans-72.8138-179.629.3-31.7000110.9
6W58.3Low50.3Low231 Ų231160.2 Ų160.288%0.87584%0.842SS**PPolyproline II helixtrans-72.9147.9169.7-68.491.6000110.2Q8W6-Q8 PolarHBondContact O-N 3.41Å
7P57.4Low50.2Low123 Ų123157.3 Ų157.380%0.79984%0.835SS**PPolyproline II helixtrans-63.8127.6178.8-16.329.4000111
8Q51.9Low50.3Low180 Ų180159.1 Ų159.184%0.84183%0.83SS**PPolyproline II helixtrans-78129.2171.4-72.9172-8000109.2W6 D10W6-Q8 PolarHBondContact O-N 3.41Å; Q8-D10 PolarHBondContact O-N 2.88Å
9D46.8Very low50.4Low170 Ų170160.2 Ų160.291%0.90983%0.833SS**  trans-6794171.4-95.5-38.9000109.4
10D45.8Very low50.5Low154 Ų154161.8 Ų161.882%0.82483%0.827SS**  trans-90.4106.3166.1-84.2-29.9000110.1Q8 Q12Q8-D10 PolarHBondContact O-N 2.88Å; D10-Q12 PolarHBondContact O-N 3.48Å; D10-Q12 VanDerWaalsContact O-N 3.12Å
11S50.8Low50.9Low110 Ų110160.6 Ų160.677%0.76982%0.823SS**  trans-59.199.8165.851.60000111.3
12Q43.1Very low51.2Low180 Ų180156.2 Ų156.284%0.84180%0.801SS**  trans-16192.7143.7-74.2-144.8-10.900110D10 Q14D10-Q12 PolarHBondContact O-N 3.48Å; D10-Q12 VanDerWaalsContact O-N 3.12Å; Q12-Q14 PolarHBondContact O-N 2.96Å
13Q41.6Very low51.9Low201 Ų201151.5 Ų151.594%0.93979%0.787SS**  trans-78.7102.2170.2-84.8-176.9-25.800110.4
14Q43.5Very low52.2Low173 Ų173151.1 Ų151.181%0.80879%0.785SS**  trans-65.8131.8150.5-77-88.1-24.300108.5Q12 V16Q12-Q14 PolarHBondContact O-N 2.96Å; Q14-V16 PolarHBondContact O-N 3.34Å; Q14-V16 VanDerWaalsContact O-N 3.14Å
15H48.1Very low51.9Low181 Ų181155.3 Ų155.384%0.83879%0.79SS**  trans-70.4101.4-175.2178.8-89000111.3
16V49.8Very low51.4Low115 Ų115155 Ų15570%0.69779%0.785SS**  trans-120.2130.7164.1-174.50000107Q14 Y18Q14-V16 PolarHBondContact O-N 3.34Å; Q14-V16 VanDerWaalsContact O-N 3.14Å; V16-Y18 VanDerWaalsContact C-N 3.26Å; V16-Y18 PolarHBondContact O-N 3.08Å
17P48.8Very low51.2Low111 Ų111148.9 Ų148.972%0.72178%0.776SS**  trans-73.286.6179.930-31.7000109M19P17-M19 PolarHBondContact O-N 3.43Å; P17-M19 VanDerWaalsContact O-N 3.16Å
18Y50.4Low51.1Low189 Ų189154.8 Ų154.874%0.74178%0.782SS**  trans-70.1105.6171.5-176.8-91.7000108.3V16 R20V16-Y18 VanDerWaalsContact C-N 3.26Å; V16-Y18 PolarHBondContact O-N 3.08Å; Y18-R20 HydrophobicContact CD1-CB 4.36Å; Y18-R20 HydrophobicContact CD1-CG 3.71Å; Y18-R20 HydrophobicContact CE1-CB 4.41Å; Y18-R20 HydrophobicContact CE1-CG 3.6Å; Y18-R20 PolarHBondContact O-N 3.12Å
19M53Low51.1Low180 Ų180149.9 Ų149.989%0.88777%0.773SS**  trans-61.199.1168.1-77.5179.157.600108.6P17 D21P17-M19 PolarHBondContact O-N 3.43Å; P17-M19 VanDerWaalsContact O-N 3.16Å; M19-D21 PolarHBondContact O-N 3.21Å
20R52.9Low51.4Low192 Ų192154 Ų15473%0.72578%0.775SS**  trans-74.5109.6172.2-107.3-165.8-175.3173.42.3109.1Y18 K22Y18-R20 HydrophobicContact CD1-CB 4.36Å; Y18-R20 HydrophobicContact CD1-CG 3.71Å; Y18-R20 HydrophobicContact CE1-CB 4.41Å; Y18-R20 HydrophobicContact CE1-CG 3.6Å; Y18-R20 PolarHBondContact O-N 3.12Å; R20-K22 PolarHBondContact O-N 2.87Å
21D59Low51.7Low138 Ų138151 Ų15174%0.73877%0.772SS**  trans-58.3125163.6-162.4-10.1000109.5M19 A23M19-D21 PolarHBondContact O-N 3.21Å; D21-A23 VanDerWaalsContact C-N 3.34Å
22K55.2Low51.6Low145 Ų145151.9 Ų151.963%0.6377%0.768SS**  trans-97.123.2-174.2-72.8-72.6-176.3171.50112.3R20 T24R20-K22 PolarHBondContact O-N 2.87Å; K22-T24 PolarHBondContact O-N 3.08Å
23A57.8Low51.9Low79 Ų79152.5 Ų152.565%0.65377%0.771SS**SBendtrans-87.16.5-175.500000116D21D21-A23 VanDerWaalsContact C-N 3.34Å
24T59.2Low52.5Low136 Ų136153.2 Ų153.283%0.83477%0.765SS**  trans-141.266.8173.320.90000111K22K22-T24 PolarHBondContact O-N 3.08Å
25Q49.3Very low53.1Low143 Ų143154.7 Ų154.767%0.66876%0.763SS**  trans-103.286.7169.5-169.4161.1-8.700109.6P27Q25-P27 WeakPolarHBondContact O-CD 3.1Å
26T56.3Low53.3Low123 Ų123157.6 Ų157.676%0.75577%0.767SS**  trans-62123.3160.9-29.80000107.2R28T26-R28 PolarHBondContact O-N 3.32Å
27P53.6Low53.8Low103 Ų103156.3 Ų156.367%0.66978%0.777SS**  trans-60.6116.5177.9-2030.8000109Q25 A29Q25-P27 WeakPolarHBondContact O-CD 3.1Å; P27-A29 HydrophobicContact CB-CB 4.31Å; P27-A29 PolarHBondContact O-N 3.12Å
28R55.3Low54.3Low247 Ų247155.5 Ų155.593%0.93277%0.774SS**  trans-74.436.7178-140-176.2-173.7-145.63.1111.8T26T26-R28 PolarHBondContact O-N 3.32Å
29A52.6Low54.3Low78 Ų78154 Ų15465%0.64577%0.773SS**THydrogen-bonded Turntrans-9713.3-16500000114.6P27P27-A29 HydrophobicContact CB-CB 4.31Å; P27-A29 PolarHBondContact O-N 3.12Å
30W54.3Low54.7Low255 Ų255154 Ų15497%0.96677%0.768SS**THydrogen-bonded Turntrans-109.411.8179.1-65.3-13.7000114.5
31A51.3Low54.8Low91 Ų91155 Ų15575%0.75277%0.772SS**SBendtrans-103.2-3-174.200000115.9
32D48.6Very low54.8Low130 Ų130153.8 Ų153.870%0.69578%0.775SS**  trans-13222-171.7-136.1-5.6000116.8R34D32-R34 PolarHBondContact O-N 3.12Å
33E49.5Very low54.7Low192 Ų192152.1 Ų152.190%0.89779%0.788SS**THydrogen-bonded Turntrans-82.245.3169.9-160.578.9-128.400111.5
34R53.8Low54.8Low217 Ų217152.7 Ų152.782%0.81979%0.787SS**THydrogen-bonded Turntrans-1317.1173.4-66.2-162.6-170-1324.7114.8D32D32-R34 PolarHBondContact O-N 3.12Å
35R56.5Low54.6Low204 Ų204151.9 Ų151.977%0.7779%0.785SS**SBendtrans-133.6117.3178.8-63.7-72.696114.72.4111.6
36R53.2Low54.9Low241 Ų241146.6 Ų146.691%0.90977%0.769SS**  trans78.2102.2167.7-68-179.3-178.6-85.3-2.4117.1S38R36-S38 PolarHBondContact O-N 3.01Å
37G59.4Low55.3Low88 Ų88144.8 Ų144.891%0.90776%0.762SS**  trans-56.6118.4151.600000111
38S58.7Low56Low94 Ų94144 Ų14466%0.65776%0.755SS**  trans-154.657.9160.5-1780000109.6R36 K40R36-S38 PolarHBondContact O-N 3.01Å; S38-K40 VanDerWaalsContact C-N 3.31Å; S38-K40 PolarHBondContact O-N 3.36Å
39H51.2Low57Low157 Ų157136.4 Ų136.473%0.72773%0.733SS**  trans-8284.9161.2-165.874.3000108.7R41H39-R41 VanDerWaalsContact C-N 3.32Å; H39-R41 PolarHBondContact O-N 3.14Å
40K60.8Low58.5Low181 Ų181137.6 Ų137.679%0.78773%0.725SS**  trans-82.476.5171.4-75.7-86-174.1176.10109.3S38S38-K40 VanDerWaalsContact C-N 3.31Å; S38-K40 PolarHBondContact O-N 3.36Å
41R55.8Low59.9Low212 Ų212130.6 Ų130.680%0.871%0.706SS**  trans-13784.5156.9-66-172.3-176.8-910.8107.7H39H39-R41 VanDerWaalsContact C-N 3.32Å; H39-R41 PolarHBondContact O-N 3.14Å
42S58.8Low61.7Low114 Ų114132 Ų13280%0.79770%0.695SS**  trans-106.8121.5175.4-54.50000109.1
43A53.6Low63.6Low109 Ų109132 Ų13290%0.90169%0.691SS**  trans-143.163.5143.400000107.7
44S58.9Low65.5Low91 Ų91126.2 Ų126.264%0.63667%0.666SS**  trans-104.2107.9162.2-177.30000106.3G46S44-G46 PolarHBondContact O-N 2.8Å
45C55.2Low67.3Low119 Ų119118.7 Ų118.780%0.80465%0.65SS**  trans-53.5122.4170.836.10000110.4
46G56.2Low69Low32 Ų32116 Ų11633%0.3364%0.644SS.*  trans67.386160.300000116.6S44 T48 D49 Q50S44-G46 PolarHBondContact O-N 2.8Å; G46-T48 PolarHBondContact O-N 3.43Å; G46-D49 PolarHBondContact O-N 3.16Å; G46-Q50 PolarHBondContact O-N 3.25Å; G46-Q50 VanDerWaalsContact O-N 3.12Å
47S63.4Low70.9Confident85 Ų85109.5 Ų109.559%0.59463%0.626SS**Hα-helixtrans-49.6-29.7165.71750000113L51S47-L51 WeakPolarHBondContact O-CG 3.45Å; S47-L51 PolarHBondContact O-N 2.87Å; S47-L51 VanDerWaalsContact O-N 3.11Å
48T68.4Low72.4Confident87 Ų87113.6 Ų113.653%0.53461%0.614SS.*Hα-helixtrans-68.7-36.5175.463.70000113.3G46 L51 K52G46-T48 PolarHBondContact O-N 3.43Å; T48-L51 PolarHBondContact O-N 3.12Å; T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.14Å; T48-K52 PolarHBondContact O-N 2.99Å; T48-K52 VanDerWaalsContact O-N 3.08Å
49D77.6Confident73.9Confident88 Ų88114.9 Ų114.947%0.47161%0.61SS.*Hα-helixtrans-79.3-34.2-178.2-70.8-14.6000110.6G46 L51 K52 E53G46-D49 PolarHBondContact O-N 3.16Å; D49-L51 VanDerWaalsContact C-N 3.35Å; D49-L51 PolarHBondContact O-N 2.92Å; D49-K52 PolarHBondContact O-N 3.21Å; D49-K52 IonicContact OD1-NZ 3.01Å; D49-K52 PolarHBondContact OD1-NZ 3.26Å; D49-E53 VanDerWaalsContact O-CB 3.3Å; D49-E53 WeakPolarHBondContact O-CB 3.29Å; D49-E53 PolarHBondContact O-N 2.82Å
50Q82.2Confident75.6Confident103 Ų103114 Ų11448%0.48161%0.606SS.*Hα-helixtrans-58.8-44.9167.7-172.2-177.751.300111.6G46 K52 E53 I54G46-Q50 PolarHBondContact O-N 3.25Å; G46-Q50 VanDerWaalsContact O-N 3.12Å; Q50-K52 PolarHBondContact O-N 2.85Å; Q50-E53 PolarHBondContact O-N 3.44Å; Q50-I54 HydrophobicContact CG-CD1 3.87Å; Q50-I54 HydrophobicContact CG-CG1 4.49Å; Q50-I54 WeakPolarHBondContact O-CB 3.44Å; Q50-I54 WeakPolarHBondContact O-CD1 3.48Å; Q50-I54 WeakPolarHBondContact O-CG1 3.44Å; Q50-I54 PolarHBondContact O-N 2.9Å
51L85.4Confident76.7Confident107 Ų107110.7 Ų110.756%0.5660%0.596SS**Hα-helixtrans-64.9-39.1177.4-72.8170.8000112.5S47 T48 D49 I54 A55S47-L51 WeakPolarHBondContact O-CG 3.45Å; S47-L51 PolarHBondContact O-N 2.87Å; S47-L51 VanDerWaalsContact O-N 3.11Å; T48-L51 PolarHBondContact O-N 3.12Å; D49-L51 VanDerWaalsContact C-N 3.35Å; D49-L51 PolarHBondContact O-N 2.92Å; L51-I54 PolarHBondContact O-N 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 3.39Å
52K88.2Confident78Confident120 Ų120107.5 Ų107.552%0.52259%0.591SS.*Hα-helixtrans-65.8-39.7174.1-70.5169.9-164.21600111.8T48 D49 Q50 A55 K56T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.14Å; T48-K52 PolarHBondContact O-N 2.99Å; T48-K52 VanDerWaalsContact O-N 3.08Å; D49-K52 PolarHBondContact O-N 3.21Å; D49-K52 IonicContact OD1-NZ 3.01Å; D49-K52 PolarHBondContact OD1-NZ 3.26Å; Q50-K52 PolarHBondContact O-N 2.85Å; K52-A55 PolarHBondContact O-N 3.03Å; K52-K56 WeakPolarHBondContact O-CB 3.34Å; K52-K56 WeakPolarHBondContact O-CG 3.47Å; K52-K56 PolarHBondContact O-N 2.72Å
53E88.1Confident78.5Confident132 Ų132110.5 Ų110.562%0.61759%0.585SS**Hα-helixtrans-65.1-45.6176.6-171.2178.7-175.700110.8D49 Q50 A55 K56 L57D49-E53 VanDerWaalsContact O-CB 3.3Å; D49-E53 WeakPolarHBondContact O-CB 3.29Å; D49-E53 PolarHBondContact O-N 2.82Å; Q50-E53 PolarHBondContact O-N 3.44Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.49Å; E53-K56 PolarHBondContact O-N 3.24Å; E53-L57 WeakPolarHBondContact O-CB 3.16Å; E53-L57 PolarHBondContact O-N 3.05Å
54I90.1Very high79.1Confident70 Ų70108.6 Ų108.636%0.35957%0.565SS.*Hα-helixtrans-60.8-42.1174.3-68.8166.3000111Q50 L51 L57 R58Q50-I54 HydrophobicContact CG-CD1 3.87Å; Q50-I54 HydrophobicContact CG-CG1 4.49Å; Q50-I54 WeakPolarHBondContact O-CB 3.44Å; Q50-I54 WeakPolarHBondContact O-CD1 3.48Å; Q50-I54 WeakPolarHBondContact O-CG1 3.44Å; Q50-I54 PolarHBondContact O-N 2.9Å; L51-I54 PolarHBondContact O-N 3.27Å; I54-L57 PolarHBondContact O-N 3.15Å; I54-R58 WeakPolarHBondContact O-CB 3.42Å; I54-R58 WeakPolarHBondContact O-CG 3.15Å; I54-R58 PolarHBondContact O-N 3.35Å
55A91.3Very high79.2Confident58 Ų58113.5 Ų113.548%0.47957%0.574SS.*Hα-helixtrans-63.8-43.6176.800000112L51 K52 E53 R58 Q59L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 3.39Å; K52-A55 PolarHBondContact O-N 3.03Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.49Å; A55-R58 PolarHBondContact O-N 3.45Å; A55-Q59 WeakPolarHBondContact O-CB 3.19Å; A55-Q59 PolarHBondContact O-N 3.34Å
56K92.6Very high79.4Confident149 Ų149118.4 Ų118.465%0.64858%0.576SS**Hα-helixtrans-61.9-44174.1-77.7178178.2177.10111.8K52 E53 R58 Q59 Q60K52-K56 WeakPolarHBondContact O-CB 3.34Å; K52-K56 WeakPolarHBondContact O-CG 3.47Å; K52-K56 PolarHBondContact O-N 2.72Å; E53-K56 PolarHBondContact O-N 3.24Å; K56-R58 PolarHBondContact O-N 2.88Å; K56-Q59 PolarHBondContact O-N 2.72Å; K56-Q60 WeakPolarHBondContact O-CB 3.47Å; K56-Q60 PolarHBondContact O-N 3.04Å
57L92.5Very high79.3Confident103 Ų103120 Ų12054%0.53958%0.582SS.*Hα-helixtrans-62.6-45179.4-151.187.2000111.2E53 I54 Q59 Q60 L61E53-L57 WeakPolarHBondContact O-CB 3.16Å; E53-L57 PolarHBondContact O-N 3.05Å; I54-L57 PolarHBondContact O-N 3.15Å; L57-Q59 PolarHBondContact O-N 3.38Å; L57-Q60 PolarHBondContact O-N 2.98Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 3.12Å
58R90.5Very high79Confident175 Ų175121.2 Ų121.266%0.6659%0.591SS**Hα-helixtrans-60.7-44.2174.4-74.5178175.4-164.1-0.6111.8I54 A55 K56 L61 Q62I54-R58 WeakPolarHBondContact O-CB 3.42Å; I54-R58 WeakPolarHBondContact O-CG 3.15Å; I54-R58 PolarHBondContact O-N 3.35Å; A55-R58 PolarHBondContact O-N 3.45Å; K56-R58 PolarHBondContact O-N 2.88Å; R58-L61 PolarHBondContact O-N 2.9Å; R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 WeakPolarHBondContact O-CG 3.1Å; R58-Q62 PolarHBondContact O-N 2.73Å
59Q90.3Very high78.5Confident121 Ų121128.3 Ų128.357%0.56561%0.608SS**Hα-helixtrans-64.3-41.3177.6-170-177.336.200111.9A55 K56 L57 Q62 R63A55-Q59 WeakPolarHBondContact O-CB 3.19Å; A55-Q59 PolarHBondContact O-N 3.34Å; K56-Q59 PolarHBondContact O-N 2.72Å; L57-Q59 PolarHBondContact O-N 3.38Å; Q59-Q62 PolarHBondContact O-N 3.04Å; Q59-R63 WeakPolarHBondContact O-CB 3.35Å; Q59-R63 WeakPolarHBondContact O-CG 3.35Å; Q59-R63 PolarHBondContact O-N 3.04Å
60Q88.3Confident77.5Confident138 Ų138131.4 Ų131.465%0.64562%0.619SS**Hα-helixtrans-63.7-42.9176.4-179.8172.8-19.400111.6K56 L57 R63 S64K56-Q60 WeakPolarHBondContact O-CB 3.47Å; K56-Q60 PolarHBondContact O-N 3.04Å; L57-Q60 PolarHBondContact O-N 2.98Å; Q60-R63 PolarHBondContact O-N 2.97Å; Q60-S64 WeakPolarHBondContact O-CB 3.35Å; Q60-S64 PolarHBondContact O-N 3.04Å
61L84Confident76.1Confident111 Ų111137.6 Ų137.658%0.58164%0.638SS**Hα-helixtrans-66.5-39.6177.4-71.7168.6000112.2L57 R58 S64 K65L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 3.12Å; R58-L61 PolarHBondContact O-N 2.9Å; L61-S64 PolarHBondContact O-N 3.01Å; L61-K65 PolarHBondContact O-N 2.99Å; L61-K65 VanDerWaalsContact O-N 3.09Å
62Q81.4Confident74.7Confident146 Ų146142.3 Ų142.368%0.68265%0.648SS**Hα-helixtrans-65.1-42.8174.2-76-178.8-11.100112.3R58 Q59R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 WeakPolarHBondContact O-CG 3.1Å; R58-Q62 PolarHBondContact O-N 2.73Å; Q59-Q62 PolarHBondContact O-N 3.04Å
63R71Confident73Confident177 Ų177143.1 Ų143.167%0.66866%0.659SS**Hα-helixtrans-67.7-41.1175.1-71-178.476.6-130.34.7111.2Q59 Q60 K65 R66 S67Q59-R63 WeakPolarHBondContact O-CB 3.35Å; Q59-R63 WeakPolarHBondContact O-CG 3.35Å; Q59-R63 PolarHBondContact O-N 3.04Å; Q60-R63 PolarHBondContact O-N 2.97Å; R63-K65 VanDerWaalsContact C-N 3.35Å; R63-K65 PolarHBondContact O-N 2.96Å; R63-R66 CarbonylContact O-C 3.54Å; R63-R66 PolarHBondContact O-N 3.49Å; R63-R66 VanDerWaalsContact O-N 3.09Å; R63-S67 WeakPolarHBondContact O-CA 3.36Å; R63-S67 WeakPolarHBondContact O-CB 3.33Å; R63-S67 PolarHBondContact O-N 2.84Å; R63-S67 PolarHBondContact O-OG 2.72Å
64S64.9Low71.6Confident69 Ų69146 Ų14648%0.48367%0.669SS.*Hα-helixtrans-60.5-40179.3-179.80000112.6Q60 L61 R66 S67 S68Q60-S64 WeakPolarHBondContact O-CB 3.35Å; Q60-S64 PolarHBondContact O-N 3.04Å; L61-S64 PolarHBondContact O-N 3.01Å; S64-R66 PolarHBondContact O-N 3.01Å; S64-R66 VanDerWaalsContact O-N 3.16Å; S64-S67 PolarHBondContact O-N 2.98Å; S64-S68 PolarHBondContact O-N 3.06Å
65K62.2Low69.8Low193 Ų193150 Ų15084%0.83969%0.691SS**Hα-helixtrans-59.2-24.8174.7-87.8-168.5171.8-174.10114.2L61 R63L61-K65 PolarHBondContact O-N 2.99Å; L61-K65 VanDerWaalsContact O-N 3.09Å; R63-K65 VanDerWaalsContact C-N 3.35Å; R63-K65 PolarHBondContact O-N 2.96Å
66R58.8Low68Low222 Ų222156.8 Ų156.884%0.83870%0.704SS**Hα-helixtrans-113.2-18.5176.6-67.6-161.2176.5-150.51.4114.8R63 S64 S68R63-R66 CarbonylContact O-C 3.54Å; R63-R66 PolarHBondContact O-N 3.49Å; R63-R66 VanDerWaalsContact O-N 3.09Å; S64-R66 PolarHBondContact O-N 3.01Å; S64-R66 VanDerWaalsContact O-N 3.16Å; R66-S68 VanDerWaalsContact C-N 3.35Å
67S54.4Low66.2Low65 Ų65159.6 Ų159.646%0.45572%0.717SS.*Hα-helixtrans-83.7-10.6-177.182.90000113.6R63 S64 R69 H70R63-S67 WeakPolarHBondContact O-CA 3.36Å; R63-S67 WeakPolarHBondContact O-CB 3.33Å; R63-S67 PolarHBondContact O-N 2.84Å; R63-S67 PolarHBondContact O-OG 2.72Å; S64-S67 PolarHBondContact O-N 2.98Å; S67-R69 PolarHBondContact O-N 2.78Å; S67-H70 PolarHBondContact O-N 3.37Å
68S56Low64.2Low112 Ų112158.6 Ų158.678%0.78372%0.718SS**THydrogen-bonded Turntrans-55.9-20.8172.4178.40000112.6S64 R66S64-S68 PolarHBondContact O-N 3.06Å; R66-S68 VanDerWaalsContact C-N 3.35Å
69R58.3Low62.7Low236 Ų236156.6 Ų156.689%0.89173%0.728SS**THydrogen-bonded Turntrans-106.4-0.4-177.4-65.1-171.3-176.3-172.41.4116.4S67S67-R69 PolarHBondContact O-N 2.78Å
70H56.7Low60.5Low152 Ų152159.4 Ų159.470%0.70474%0.739SS**SBendtrans-14252.7-171.8-152.555.1000115.5S67S67-H70 PolarHBondContact O-N 3.37Å
71R53.3Low58.8Low233 Ų233160.3 Ų160.388%0.87975%0.748SS**SBendtrans-148.331168.6-116.5-80.3-169.3-98.6-0.2112.6
72R55.5Low56.8Low207 Ų207158 Ų15878%0.78175%0.751SS**SBendtrans-140.330.1174.3-72.2-145.9-64.1-138.90.4114
73D52.7Low55.4Low137 Ų137156.4 Ų156.473%0.73376%0.756SS**SBendtrans-116.113-176-132.91000114.6
74K58.3Low54.6Low192 Ų192157.2 Ų157.284%0.83577%0.767SS**SBendtrans-108.5-2.2176.5-155.587.4169.5-171.70114.1
75D53.8Low53.7Low155 Ų155158.4 Ų158.483%0.82978%0.781SS**SBendtrans-143.640.5-178.2-63.3-64.6000113.3
76R53.1Low52.9Low199 Ų199156.8 Ų156.875%0.75178%0.78SS**  trans-120.677.7169.5-85.1-174.5152.8-164.1-7.4110.8S78R76-S78 PolarHBondContact O-N 3.23Å; R76-S78 VanDerWaalsContact O-N 3.09Å
77K53.3Low52.3Low209 Ų209152.6 Ų152.691%0.90977%0.773SS**  trans-71.888.4146.3-81.8176.8163.4-76.30107.2
78S51.1Low51.8Low82 Ų82158.2 Ų158.257%0.57379%0.792SS**  trans-71.4131.8162.21700000108.2R76 F80R76-S78 PolarHBondContact O-N 3.23Å; R76-S78 VanDerWaalsContact O-N 3.09Å; S78-F80 PolarHBondContact O-N 3Å; S78-F80 PolarHBondContact OG-N 2.93Å
79P59Low51Low133 Ų133158.8 Ų158.886%0.86480%0.795SS**SBendtrans-825.8-179.932.3-32000113.8
80F45.4Very low50.6Low180 Ų180157.1 Ų157.179%0.78980%0.798SS**  trans-124.4112.3178.3-123.5-94.6000111.3S78 G82S78-F80 PolarHBondContact O-N 3Å; S78-F80 PolarHBondContact OG-N 2.93Å; F80-G82 PolarHBondContact O-N 3.11Å
81N52.4Low49.8Very low157 Ų157155.1 Ų155.184%0.8480%0.801SS**  trans-75.8101.8165.3-84.3-31.1000108.4S83N81-S83 PolarHBondContact O-N 3.3Å
82G42Very low49.4Very low62 Ų62149.9 Ų149.964%0.63980%0.797SS**  trans-82.989.3168.200000110.3F80 H84F80-G82 PolarHBondContact O-N 3.11Å; G82-H84 PolarHBondContact O-N 2.91Å
83S52.3Low48.9Very low113 Ų113148.1 Ų148.179%0.7980%0.8SS**  trans-70.4114.4170-76.90000110.3N81N81-S83 PolarHBondContact O-N 3.3Å
84H52.7Low48.4Very low193 Ų193146.7 Ų146.789%0.89480%0.798SS**  trans-93.395.2164.2-65.8-75.5000108.7G82G82-H84 PolarHBondContact O-N 2.91Å
85A46.8Very low48.1Very low95 Ų95147.2 Ų147.279%0.78580%0.8SS**  trans-130.8147162.200000108.9
86I45.7Very low47.5Very low159 Ų159145.4 Ų145.482%0.81580%0.795SS**  trans-95.6158.9-153.8-50.8172.7000109.4
87I46.1Very low47.5Very low134 Ų134143.4 Ų143.469%0.68780%0.797SS**  trans100.5124.2150-50.2-172000118.1
88Q43.8Very low47.1Very low183 Ų183141 Ų14186%0.85579%0.793SS**  trans63.7106.5153.6-74.4162.25.500120.3
89S38.5Very low47.1Very low123 Ų123143.8 Ų143.886%0.8680%0.801SS**  -15813312142.20000110.4
90Q49.8Very low46.3Very low202 Ų202143.2 Ų143.294%0.94480%0.797SS**  trans-67.6133.8177.5-64.8174.6-16.900109.8
91S41.1Very low46.4Very low110 Ų110141.7 Ų141.777%0.76980%0.795SS**  trans-152.5138.6167.3167.10000110
92P43.3Very low46.1Very low123 Ų123139.3 Ų139.380%0.79979%0.788SS**PPolyproline II helixtrans-75.5132-161.3-10.327.7000112.5
93M46.4Very low46.4Very low170 Ų170144.6 Ų144.684%0.83780%0.801SS**PPolyproline II helixtrans-67.1126177.7-162.2160.271.500111K95M93-K95 PolarHBondContact O-N 3.07Å
94P42.6Very low46.1Very low106 Ų106144.4 Ų144.469%0.68880%0.799SS**PPolyproline II helixtrans-73.511717027.8-29.1000108.9T96P94-T96 PolarHBondContact O-N 3.17Å
95K51Low46Very low203 Ų203145.2 Ų145.288%0.88380%0.8SS**  trans-67.993.3171.9-66.4175.9-176.2171.30108.8M93M93-K95 PolarHBondContact O-N 3.07Å
96T41.8Very low45.8Very low117 Ų117145.8 Ų145.872%0.71880%0.798SS**  trans-90115.4166.339.60000108.2P94 L98P94-T96 PolarHBondContact O-N 3.17Å; T96-L98 PolarHBondContact O-N 3.25Å
97I52.4Low46.2Very low157 Ų157143.1 Ų143.181%0.80579%0.794SS**  trans-66.6119.5174.8-66.9169.8000107.5I99I97-I99 PolarHBondContact O-N 3.17Å
98L44Very low46.8Very low158 Ų158138.7 Ų138.783%0.82778%0.777SS**  trans-77.5113.9172-65.4175.2000108.7T96T96-L98 PolarHBondContact O-N 3.25Å
99I51.7Low47.4Very low142 Ų142135 Ų13573%0.72877%0.769SS**  trans-71.8127.2169.1-58.6171.2000107.4I97 I101I97-I99 PolarHBondContact O-N 3.17Å; I99-I101 PolarHBondContact O-N 3.42Å; I99-I101 VanDerWaalsContact O-N 3.1Å
100P42.8Very low48.4Very low120 Ų120138.3 Ų138.378%0.77976%0.762SS**  trans-69.2108.8174.7-10.625.3000109.1
101I48.3Very low48.8Very low148 Ų148136.3 Ų136.376%0.75975%0.751SS**  trans-78.5126.2167.8-57.9173.8000106.6I99 I103I99-I101 PolarHBondContact O-N 3.42Å; I99-I101 VanDerWaalsContact O-N 3.1Å; I101-I103 PolarHBondContact O-N 3.33Å; I101-I103 VanDerWaalsContact O-N 3.1Å
102P44.5Very low50Low107 Ų107140.7 Ų140.770%0.69575%0.75SS**  trans-60.4119.5173.523.4-30.3000108.7S104P102-S104 PolarHBondContact O-N 3.18Å
103I49.3Very low50.6Low174 Ų174142.3 Ų142.389%0.89275%0.752SS**  trans-55.186.417420.2171.2000109.6I101 K105I101-I103 PolarHBondContact O-N 3.33Å; I101-I103 VanDerWaalsContact O-N 3.1Å; I103-K105 PolarHBondContact O-N 3.22Å
104S45.3Very low52.1Low108 Ų108136.2 Ų136.276%0.75573%0.726SS**  trans-66.3121.1158.2-64.80000106.6P102 S106P102-S104 PolarHBondContact O-N 3.18Å; S104-S106 PolarHBondContact O-N 2.93Å
105K50.6Low53.9Low210 Ų210136.7 Ų136.791%0.91373%0.727SS**SBendtrans-21.5117.8-179.7-62.9176.1-180179.10112.6I103 S107I103-K105 PolarHBondContact O-N 3.22Å; K105-S107 PolarHBondContact O-N 3.04Å; K105-S107 VanDerWaalsContact O-N 3.07Å
106S43.9Very low55.4Low108 Ų108133.1 Ų133.176%0.75571%0.714SS**  trans-43.2106.9-170.660.40000114S104 A108S104-S106 PolarHBondContact O-N 2.93Å; S106-A108 PolarHBondContact O-N 2.71Å; S106-A108 VanDerWaalsContact O-N 3.15Å
107S54.1Low57.4Low103 Ų103128.1 Ų128.172%0.7269%0.685SS**  trans-73.898.3153.8-1770000106.7K105K105-S107 PolarHBondContact O-N 3.04Å; K105-S107 VanDerWaalsContact O-N 3.07Å
108A58.3Low59Low40 Ų40125.1 Ų125.133%0.33167%0.671SS.*  trans-63.1141.9179.300000110.1S106 R110S106-A108 PolarHBondContact O-N 2.71Å; S106-A108 VanDerWaalsContact O-N 3.15Å; A108-R110 PolarHBondContact O-N 3.2Å
109P56.5Low61Low105 Ų105121.4 Ų121.468%0.68265%0.651SS**  trans-62.3111.8169.624.6-28.3000107.3F111P109-F111 VanDerWaalsContact C-N 3.32Å; P109-F111 HydrophobicContact CG-CE2 4.33Å; P109-F111 PolarHBondContact O-N 3.23Å
110R58.5Low62.7Low194 Ų194119.8 Ų119.873%0.73264%0.641SS**  trans-63.396.7175.4-62.4-176.8-164.986.5-1.9107.5A108 R112A108-R110 PolarHBondContact O-N 3.2Å; R110-R112 HydrophobicContact CB-CG 4.35Å; R110-R112 PolarHBondContact O-N 3.43Å
111F59.1Low64.7Low160 Ų160118.5 Ų118.570%0.70263%0.625SS**  trans-65.487.3163.2-81-83.2000107P109 N113P109-F111 VanDerWaalsContact C-N 3.32Å; P109-F111 HydrophobicContact CG-CE2 4.33Å; P109-F111 PolarHBondContact O-N 3.23Å; F111-N113 PolarHBondContact O-N 3.38Å; F111-N113 VanDerWaalsContact O-N 3.16Å
112R66.3Low66.5Low201 Ų201115.9 Ų115.976%0.75861%0.611SS**THydrogen-bonded Turntrans-66.6115.9178.2-75.4-170.7174-122.13.1108.4R110R110-R112 HydrophobicContact CB-CG 4.35Å; R110-R112 PolarHBondContact O-N 3.43Å
113N55Low68.4Low157 Ų157115 Ų11584%0.8460%0.598SS**THydrogen-bonded Turntrans79.239.9160.3-45.8-44.5000118F111F111-N113 PolarHBondContact O-N 3.38Å; F111-N113 VanDerWaalsContact O-N 3.16Å
114S78.4Confident69.9Low42 Ų42112.8 Ų112.829%0.29458%0.578SS.*  trans-117.8143.6157.779.10000111.4E116 G117 L118S114-E116 PolarHBondContact O-N 3.46Å; S114-G117 PolarHBondContact O-N 3.4Å; S114-G117 PolarHBondContact OG-N 2.94Å; S114-L118 PolarHBondContact O-N 2.81Å
115V79.4Confident71.5Confident117 Ų117112.3 Ų112.371%0.70957%0.566SS**Hα-helixtrans-62.6-36176.5174.50000109.8G117 N119V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 3.49Å; V115-N119 WeakPolarHBondContact O-CB 3.47Å; V115-N119 PolarHBondContact O-N 2.95Å
116E82.9Confident72.7Confident127 Ų127107.6 Ų107.659%0.59355%0.55SS*.Hα-helixtrans-70-29.7178.5-59.475.9-166.300112.7S114 Q120S114-E116 PolarHBondContact O-N 3.46Å; E116-Q120 WeakPolarHBondContact O-CG 3.5Å; E116-Q120 PolarHBondContact O-N 2.88Å; E116-Q120 PolarHBondContact O-NE2 2.78Å
117G84.5Confident73.9Confident12 Ų12108 Ų10812%0.12454%0.542CS..Hα-helixtrans-75.2-41.6176.600000112.2S114 V115 Q120 E121S114-G117 PolarHBondContact O-N 3.4Å; S114-G117 PolarHBondContact OG-N 2.94Å; V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 3.49Å; G117-Q120 PolarHBondContact O-N 3.5Å; G117-E121 PolarHBondContact O-N 3.16Å
118L85.4Confident74.1Confident95 Ų95113.1 Ų113.150%0.49755%0.546SS..Hα-helixtrans-64.1-41.6173.7-71.9174.9000111.8S114 Q120 E121 I122S114-L118 PolarHBondContact O-N 2.81Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 2.98Å; L118-E121 WeakPolarHBondContact O-CB 3.26Å; L118-E121 PolarHBondContact O-N 2.86Å; L118-E121 VanDerWaalsContact O-N 3.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.42Å; L118-I122 PolarHBondContact O-N 3.14Å
119N86.5Confident73.9Confident79 Ų79117.4 Ų117.442%0.42256%0.563SS.*Hα-helixtrans-59-43.8178.2-170.774.4000111.9V115 E121 I122 E123V115-N119 WeakPolarHBondContact O-CB 3.47Å; V115-N119 PolarHBondContact O-N 2.95Å; N119-E121 VanDerWaalsContact C-N 3.29Å; N119-E121 PolarHBondContact O-N 3.01Å; N119-I122 PolarHBondContact O-N 3.31Å; N119-E123 PolarHBondContact ND2-OE1 3.25Å; N119-E123 WeakPolarHBondContact O-CB 3.49Å; N119-E123 WeakPolarHBondContact O-CG 3.4Å; N119-E123 PolarHBondContact O-N 3.23Å
120Q86.3Confident73.1Confident108 Ų108117.7 Ų117.751%0.50556%0.563SS.*Hα-helixtrans-67.7-27.4176-72.6172.363.100113.3E116 G117 L118 R124E116-Q120 WeakPolarHBondContact O-CG 3.5Å; E116-Q120 PolarHBondContact O-N 2.88Å; E116-Q120 PolarHBondContact O-NE2 2.78Å; G117-Q120 PolarHBondContact O-N 3.5Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 2.98Å; Q120-R124 WeakPolarHBondContact O-CB 3.4Å; Q120-R124 VanDerWaalsContact O-CG 3.26Å; Q120-R124 WeakPolarHBondContact O-CG 3.33Å; Q120-R124 PolarHBondContact O-N 2.93Å; Q120-R124 PolarHBondContact O-NE 3.45Å
121E86.7Confident72.9Confident94 Ų94114.7 Ų114.744%0.43957%0.569SS.*Hα-helixtrans-69.7-46.3173.1-175.3174.4-177.900111.3G117 L118 N119 R124 I125G117-E121 PolarHBondContact O-N 3.16Å; L118-E121 WeakPolarHBondContact O-CB 3.26Å; L118-E121 PolarHBondContact O-N 2.86Å; L118-E121 VanDerWaalsContact O-N 3.07Å; N119-E121 VanDerWaalsContact C-N 3.29Å; N119-E121 PolarHBondContact O-N 3.01Å; E121-R124 VanDerWaalsContact CA-NH2 3.32Å; E121-R124 PolarHBondContact O-N 3.32Å; E121-I125 HydrophobicContact CG-CD1 4.13Å; E121-I125 WeakPolarHBondContact O-CG1 3.33Å; E121-I125 PolarHBondContact O-N 3.07Å; E121-I125 VanDerWaalsContact O-N 3.14Å
122I85.2Confident72.3Confident92 Ų92114.9 Ų114.947%0.47257%0.572SS.*Hα-helixtrans-61.3-48.5177-66.3165.7000110.6L118 N119 R124 I125 I126L118-I122 WeakPolarHBondContact O-CG1 3.42Å; L118-I122 PolarHBondContact O-N 3.14Å; N119-I122 PolarHBondContact O-N 3.31Å; I122-R124 VanDerWaalsContact C-N 3.28Å; I122-R124 PolarHBondContact O-N 2.98Å; I122-I125 PolarHBondContact O-N 3.32Å; I122-I125 VanDerWaalsContact O-N 3.16Å; I122-I126 HydrophobicContact CG2-CD1 3.47Å; I122-I126 VanDerWaalsContact CG2-CD1 3.47Å; I122-I126 HydrophobicContact CG2-CG1 4.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.43Å; I122-I126 PolarHBondContact O-N 2.79Å
123E84.8Confident71.2Confident90 Ų90112.8 Ų112.842%0.42157%0.568SS.*Hα-helixtrans-57.3-40.5176.5-75.2171.5-178.900111.9N119 I125 I126 I127N119-E123 PolarHBondContact ND2-OE1 3.25Å; N119-E123 WeakPolarHBondContact O-CB 3.49Å; N119-E123 WeakPolarHBondContact O-CG 3.4Å; N119-E123 PolarHBondContact O-N 3.23Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.07Å; E123-I126 PolarHBondContact O-N 2.87Å; E123-I127 HydrophobicContact CB-CD1 4.06Å; E123-I127 WeakPolarHBondContact O-CB 3.36Å; E123-I127 WeakPolarHBondContact O-CD1 3.19Å; E123-I127 WeakPolarHBondContact O-CG1 3.29Å; E123-I127 PolarHBondContact O-N 3.38Å
124R80.3Confident71Confident126 Ų126113.3 Ų113.348%0.47557%0.571SS.*Hα-helixtrans-70.7-26.6179.5-79.5-179.2-71.2112.5-4.8114.2Q120 E121 I122 R128Q120-R124 WeakPolarHBondContact O-CB 3.4Å; Q120-R124 VanDerWaalsContact O-CG 3.26Å; Q120-R124 WeakPolarHBondContact O-CG 3.33Å; Q120-R124 PolarHBondContact O-N 2.93Å; Q120-R124 PolarHBondContact O-NE 3.45Å; E121-R124 VanDerWaalsContact CA-NH2 3.32Å; E121-R124 PolarHBondContact O-N 3.32Å; I122-R124 VanDerWaalsContact C-N 3.28Å; I122-R124 PolarHBondContact O-N 2.98Å; R124-R128 WeakPolarHBondContact O-CB 3.42Å; R124-R128 WeakPolarHBondContact O-CG 3.42Å
125I78.9Confident69.4Low98 Ų98118.2 Ų118.250%0.50359%0.589SS.*Hα-helixtrans-77.9-48.1175.3-64.6162.4000109.1E121 I122 E123 R128 D129E121-I125 HydrophobicContact CG-CD1 4.13Å; E121-I125 WeakPolarHBondContact O-CG1 3.33Å; E121-I125 PolarHBondContact O-N 3.07Å; E121-I125 VanDerWaalsContact O-N 3.14Å; I122-I125 PolarHBondContact O-N 3.32Å; I122-I125 VanDerWaalsContact O-N 3.16Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.07Å; I125-R128 PolarHBondContact O-N 2.79Å; I125-D129 PolarHBondContact O-N 3.4Å
126I76.5Confident68.1Low111 Ų111119.6 Ų119.657%0.56960%0.598SS**Hα-helixtrans-69.9-40.3-176.3-62.2172.6000112I122 E123 R128 D129I122-I126 HydrophobicContact CG2-CD1 3.47Å; I122-I126 VanDerWaalsContact CG2-CD1 3.47Å; I122-I126 HydrophobicContact CG2-CG1 4.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.43Å; I122-I126 PolarHBondContact O-N 2.79Å; E123-I126 PolarHBondContact O-N 2.87Å; I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 2.82Å; I126-D129 PolarHBondContact O-N 2.74Å
127I68.8Low66.4Low116 Ų116121 Ų12160%0.59561%0.608SS**THydrogen-bonded Turntrans-74.5-20-177.7-64.3167.2000111.8E123 T130E123-I127 HydrophobicContact CB-CD1 4.06Å; E123-I127 WeakPolarHBondContact O-CB 3.36Å; E123-I127 WeakPolarHBondContact O-CD1 3.19Å; E123-I127 WeakPolarHBondContact O-CG1 3.29Å; E123-I127 PolarHBondContact O-N 3.38Å; I127-T130 PolarHBondContact O-OG1 3.46Å
128R58.9Low64.9Low211 Ų211126.2 Ų126.280%0.79664%0.637SS**THydrogen-bonded Turntrans-89.3-7.8175.8-70.9-161.5172.3-155.5-2.3114.2R124 I125 I126 T130R124-R128 WeakPolarHBondContact O-CB 3.42Å; R124-R128 WeakPolarHBondContact O-CG 3.42Å; I125-R128 PolarHBondContact O-N 2.79Å; I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 2.82Å; R128-T130 VanDerWaalsContact C-N 3.34Å
129D53Low63.2Low130 Ų130127.7 Ų127.770%0.69565%0.653SS**  trans-94.227.4176.1-84.4-6.5000112.9I125 I126 P131I125-D129 PolarHBondContact O-N 3.4Å; I126-D129 PolarHBondContact O-N 2.74Å; D129-P131 WeakPolarHBondContact O-CD 3.3Å
130T39.9Very low61.6Low111 Ų111132.4 Ų132.468%0.68167%0.672SS**  trans-82.8117.9163.233.80000110.6I127 R128 E132I127-T130 PolarHBondContact O-OG1 3.46Å; R128-T130 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 3.4Å
131P54.7Low60.1Low132 Ų132134.5 Ų134.586%0.85769%0.687SS**  trans-8494.318033.5-31.4000109.7D129D129-P131 WeakPolarHBondContact O-CD 3.3Å
132E46.5Very low58.7Low163 Ų163135.9 Ų135.976%0.76270%0.701SS**  trans-131.188.2164.4-153.7-158154.100108.3T130T130-E132 PolarHBondContact O-N 3.4Å
133K42.3Very low57.5Low158 Ų158137 Ų13769%0.68772%0.715SS**  172.3123.6117.3-88.5170.1-173.5-165.90110.8E135K133-E135 PolarHBondContact O-N 3.04Å
134D50.5Low56.7Low168 Ų168138.3 Ų138.390%0.89873%0.725SS**  trans-66.994.3170.2-165.816.8000108.6
135E46.3Very low55.9Low145 Ų145135.7 Ų135.768%0.67874%0.736SS**  trans-138.4100.6168.2-67.2-171.4-160.800108.9K133 I137K133-E135 PolarHBondContact O-N 3.04Å; E135-I137 PolarHBondContact O-N 3.07Å
136T50.4Low55.2Low145 Ų145139.1 Ų139.189%0.8975%0.75SS**  trans6.493.5154.235.80000116
137I48.8Very low55Low157 Ų157144.8 Ų144.881%0.80576%0.764SS**  trans-112110.2163.5-66.4146.4000107.1E135E135-I137 PolarHBondContact O-N 3.07Å
138V51.3Low54.6Low121 Ų121143.4 Ų143.473%0.73377%0.77SS**  trans-39.8136.5166.4174.20000109.5Q140V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 3.17Å
139P50Low55.1Low127 Ų127138.8 Ų138.883%0.82577%0.767SS**  trans-62.798.3173.3-12.526000108.3D141P139-D141 PolarHBondContact O-N 3.49Å
140Q53.6Low55.8Low178 Ų178137.8 Ų137.883%0.83277%0.768SS**PPolyproline II helixtrans-75.4117.5168.9-170.4170.329.400106.5V138 V142V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 3.17Å; Q140-V142 PolarHBondContact O-N 2.92Å
141D55.5Low57.1Low152 Ų152138.4 Ų138.481%0.81377%0.774SS**PPolyproline II helixtrans-46.4122.4178.3-155.615.4000109.8P139 P143P139-D141 PolarHBondContact O-N 3.49Å; D141-P143 WeakPolarHBondContact O-CD 3.39Å
142V57.5Low57.7Low123 Ų123138.3 Ų138.375%0.74577%0.771SS**PPolyproline II helixtrans-65.1117.7-175.9-179.90000106.6Q140 D144Q140-V142 PolarHBondContact O-N 2.92Å; V142-D144 PolarHBondContact O-N 3.35Å
143P59.1Low58.5Low115 Ų115135.2 Ų135.275%0.74776%0.764SS**PPolyproline II helixtrans-62.6118.6177.824.8-31000107.3D141 G145D141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-G145 PolarHBondContact O-N 3.1Å
144D68.6Low59.3Low118 Ų118133.7 Ų133.763%0.63177%0.771SS**  trans-48108.6177.5179.58.8000109.7V142 H146V142-D144 PolarHBondContact O-N 3.35Å; D144-H146 PolarHBondContact O-N 2.88Å; D144-H146 VanDerWaalsContact O-N 3.11Å; D144-H146 WeakPolarHBondContact OD1-CB 3.5Å; D144-H146 IonicContact OD1-CD2 2.72Å; D144-H146 PolarHBondContact OD1-CD2 3.12Å; D144-H146 IonicContact OD1-CG 3.04Å; D144-H146 PolarHBondContact OD1-N 3.02Å; D144-H146 IonicContact OD1-NE2 3.66Å; D144-H146 IonicContact OD2-CD2 3.79Å
145G63.7Low59.1Low70 Ų70133.8 Ų133.872%0.72277%0.766SS**  trans-73.310.5-179.500000113.5P143 R147P143-G145 PolarHBondContact O-N 3.1Å; G145-R147 VanDerWaalsContact C-N 3.25Å; G145-R147 PolarHBondContact O-N 3.11Å
146H62.8Low59.6Low171 Ų171138.2 Ų138.279%0.79278%0.776SS**  trans-82.712.9-176.9-63.7-41.9000115.2D144D144-H146 PolarHBondContact O-N 2.88Å; D144-H146 VanDerWaalsContact O-N 3.11Å; D144-H146 WeakPolarHBondContact OD1-CB 3.5Å; D144-H146 IonicContact OD1-CD2 2.72Å; D144-H146 PolarHBondContact OD1-CD2 3.12Å; D144-H146 IonicContact OD1-CG 3.04Å; D144-H146 PolarHBondContact OD1-N 3.02Å; D144-H146 IonicContact OD1-NE2 3.66Å; D144-H146 IonicContact OD2-CD2 3.79Å
147R72.4Confident59.2Low230 Ų230136.4 Ų136.487%0.86877%0.77SS**SBendtrans-122111.4167.7-141.5174-168.6-164.42.7111.9G145G145-R147 VanDerWaalsContact C-N 3.25Å; G145-R147 PolarHBondContact O-N 3.11Å
148A61.4Low59.4Low86 Ų86134.7 Ų134.771%0.71177%0.772SS**PPolyproline II helixtrans-55.5137.4166.600000109.4
149P69.7Low59.8Low115 Ų115133.9 Ų133.975%0.74777%0.771SS**PPolyproline II helixtrans-58.5138.917722.7-31.2000109.7
150P68Low59.6Low108 Ų108134 Ų13470%0.70177%0.77SS**PPolyproline II helixtrans-58.5141.6178.223.2-31.4000109.8V152P150-V152 PolarHBondContact O-N 3.18Å
151P66.2Low59.4Low125 Ų125136.9 Ų136.981%0.81277%0.773SS**PPolyproline II helixtrans-58.7117.4-179.623.4-32.1000109.2
152V67.4Low59.1Low130 Ų130135.4 Ų135.479%0.78877%0.774SS**PPolyproline II helixtrans-68123.3175.6-169.10000107.2P150P150-V152 PolarHBondContact O-N 3.18Å
153P63.1Low59Low97 Ų97136.6 Ų136.663%0.6378%0.775SS**PPolyproline II helixtrans-60.6143.5178.222-30.2000109.9Q155P153-Q155 VanDerWaalsContact C-N 3.34Å; P153-Q155 PolarHBondContact O-N 3.23Å
154P58.5Low58.4Low126 Ų126137.3 Ų137.382%0.81877%0.773SS**  trans-67.193.1-176.325.5-31.5000109.9R156P154-R156 PolarHBondContact O-N 3.31Å; P154-R156 VanDerWaalsContact O-N 3.07Å
155Q47.7Very low57.7Low170 Ų170136.7 Ų136.779%0.79477%0.773SS**  trans-61.7110.1160.4-93.5-74.9-43.800106.8P153 S157P153-Q155 VanDerWaalsContact C-N 3.34Å; P153-Q155 PolarHBondContact O-N 3.23Å; Q155-S157 VanDerWaalsContact C-N 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å
156R56.3Low56.8Low238 Ų238141.4 Ų141.490%0.89878%0.777SS**  trans-56.390.4173.4-68.6174.481.8-149.28.7108.9P154P154-R156 PolarHBondContact O-N 3.31Å; P154-R156 VanDerWaalsContact O-N 3.07Å
157S41.9Very low56.1Low108 Ų108138.3 Ų138.376%0.75577%0.77SS**  trans-117.886.5163-76.40000107.4Q155 S159Q155-S157 VanDerWaalsContact C-N 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å; S157-S159 PolarHBondContact O-N 2.74Å
158S53Low54.8Low121 Ų121133.1 Ų133.185%0.84677%0.766SS**  trans-65.387.3174.344.20000110.5
159S59.3Low54Low103 Ų103134.7 Ų134.772%0.7277%0.772SS**  trans-162.389157.9-167.20000110S157S157-S159 PolarHBondContact O-N 2.74Å
160T45.2Very low52.4Low130 Ų130133.3 Ų133.380%0.79878%0.779SS**SBendtrans17197.9135.3340000109.3
161R50.3Low50.9Low239 Ų239131.8 Ų131.890%0.90278%0.782SS**  trans4582.8143-60.3177157.1-109.5-7.2115.7I163R161-I163 PolarHBondContact O-N 2.99Å; R161-I163 VanDerWaalsContact O-N 3.14Å
162S49.9Very low49.4Very low120 Ų120129.1 Ų129.184%0.83978%0.777SS**  trans-62.3110157.456.20000108.9D164S162-D164 PolarHBondContact O-N 2.98Å
163I54.5Low48Very low148 Ų148131.2 Ų131.276%0.75978%0.783SS**  trans-67116.7154.936.8156.9000106.9R161 T165R161-I163 PolarHBondContact O-N 2.99Å; R161-I163 VanDerWaalsContact O-N 3.14Å; I163-T165 PolarHBondContact O-N 3.14Å
164D46.9Very low46.8Very low130 Ų130132.9 Ų132.970%0.69580%0.797SS**  trans-59102174.1-174.811.4000109.5S162 Q166S162-D164 PolarHBondContact O-N 2.98Å; D164-Q166 WeakPolarHBondContact OD1-CG 3.46Å; D164-Q166 PolarHBondContact OD1-N 3.01Å
165T53.8Low45.7Very low105 Ų105130.3 Ų130.364%0.64479%0.794SS**  trans-101.991.8159.254.60000106.5I163 T167I163-T165 PolarHBondContact O-N 3.14Å; T165-T167 PolarHBondContact O-N 3.38Å
166Q45.6Very low45.4Very low169 Ų169128.5 Ų128.579%0.7979%0.789SS**  trans-59.291.1161.3-69.1-162.4-4.700108.8D164D164-Q166 WeakPolarHBondContact OD1-CG 3.46Å; D164-Q166 PolarHBondContact OD1-N 3.01Å
167T47.3Very low44.6Very low106 Ų106125.4 Ų125.465%0.6579%0.785SS**  trans-99115161-49.80000105.3T165 S169T165-T167 PolarHBondContact O-N 3.38Å; T167-S169 PolarHBondContact O-N 3.41Å
168P44Very low44.5Very low121 Ų121125.7 Ų125.779%0.78679%0.787SS**  trans-70.6102.4167.627.2-27.7000107.4G170P168-G170 VanDerWaalsContact C-N 3.26Å; P168-G170 PolarHBondContact O-N 3.06Å
169S45.7Very low44.1Very low120 Ų120127.5 Ų127.584%0.83979%0.787SS**  trans-6691.5161.1-840000108T167 G171T167-S169 PolarHBondContact O-N 3.41Å; S169-G171 PolarHBondContact O-N 3.04Å
170G35.3Very low42.9Very low86 Ų86128.7 Ų128.789%0.88779%0.794SS**  trans-77.195.7169.500000110P168P168-G170 VanDerWaalsContact C-N 3.26Å; P168-G170 PolarHBondContact O-N 3.06Å
171G36.8Very low43Very low75 Ų75127.7 Ų127.777%0.77379%0.793SS**  trans-157.487.6173.300000111.5S169S169-G171 PolarHBondContact O-N 3.04Å
172G34.4Very low42.5Very low69 Ų69121.6 Ų121.671%0.71179%0.787SS**  trans92.8106.5148.400000119
173L38.7Very low42.4Very low175 Ų175126.3 Ų126.392%0.91679%0.786SS**  trans75115136.2-50178.9000120.6
174S38.2Very low41.9Very low131 Ų131124.9 Ų124.992%0.91679%0.786SS**  trans74.8121137.5-167.90000119.5
175G35.2Very low41.7Very low73 Ų73125.7 Ų125.775%0.75379%0.791SS**  trans151.1109.7156.400000114.3
176N41.8Very low41.1Very low131 Ų131125.5 Ų125.570%0.70179%0.793SS**  trans-66.2167.6178.2-75.7-16.2000115.2
177H38Very low41Very low173 Ų173125.6 Ų125.680%0.80180%0.797SS**  trans76.8139.8159.2-38.2-66.1000114.3
178S40.5Very low40.6Very low114 Ų114124.7 Ų124.780%0.79780%0.796SS**  cis-167.1164.610.538.10000108.9
179N43.8Very low40.4Very low159 Ų159125.1 Ų125.185%0.8580%0.799SS**  trans-42.1133.7173.9-66.8-27000115.3
180C34.9Very low40.2Very low128 Ų128125.3 Ų125.387%0.86580%0.8SS**  trans-144.8110.3149.9-103.60000110.6
181S46.2Very low40.4Very low110 Ų110131.4 Ų131.477%0.76980%0.798SS**  trans-61.4128.1167.1178.30000110
182S40.1Very low40.6Very low111 Ų111134.7 Ų134.778%0.77680%0.797SS**  trans-152.788.6161.8-670000108.6
183R47.8Very low40.8Very low218 Ų218137.4 Ų137.482%0.82381%0.805SS**  trans-66130.7161.9-70178.2166.8-168-3.6108.4
184P44.3Very low41.1Very low118 Ų118135 Ų13577%0.76680%0.797SS**  trans-89115.3154.430.2-22.7000108S186P184-S186 VanDerWaalsContact C-N 3.33Å; P184-S186 PolarHBondContact O-N 3.41Å
185D42.9Very low41Very low148 Ų148136.4 Ų136.479%0.79179%0.794SS**  trans-6492.5168.7-72.7-44.7000109.4I187D185-I187 PolarHBondContact O-N 3.08Å
186S40.7Very low41.1Very low100 Ų100139 Ų13970%0.69979%0.79SS**  trans-83.3103.8167.756.50000109.2P184 S188P184-S186 VanDerWaalsContact C-N 3.33Å; P184-S186 PolarHBondContact O-N 3.41Å; S186-S188 PolarHBondContact O-N 3.28Å
187I45.3Very low41Very low171 Ų171140.4 Ų140.488%0.87780%0.797SS**  trans-59.5102.9169.9-60.3166.8000108.1D185D185-I187 PolarHBondContact O-N 3.08Å
188S38.6Very low41.1Very low88 Ų88137.2 Ų137.262%0.61579%0.79SS**PPolyproline II helixtrans-83.2144.1168.9-65.80000109.6S186 S190S186-S188 PolarHBondContact O-N 3.28Å; S188-S190 PolarHBondContact O-N 2.91Å
189P39.6Very low40.8Very low130 Ų130136.4 Ų136.484%0.84479%0.791SS**PPolyproline II helixtrans-70.9118.2174.228.7-30.2000109.3Y191P189-Y191 PolarHBondContact O-N 3.49Å
190S41Very low40.3Very low124 Ų124132.8 Ų132.887%0.86779%0.791SS**PPolyproline II helixtrans-60.7123.5173.9-55.70000110.8S188S188-S190 PolarHBondContact O-N 2.91Å
191Y40.2Very low40.1Very low214 Ų214130.3 Ų130.384%0.83979%0.787SS**PPolyproline II helixtrans-99.8139.6155.5-153.7-95.8000108.3P189 S193P189-Y191 PolarHBondContact O-N 3.49Å; Y191-S193 PolarHBondContact O-N 3.48Å
192L41.5Very low39.5Very low143 Ų143131 Ų13175%0.74979%0.792SS**  trans-53.7113.7-163.5-63.1161.2000113.9V194L192-V194 PolarHBondContact O-N 3.49Å
193S37.3Very low40.3Very low127 Ų127130.6 Ų130.689%0.88879%0.787SS**  trans-86.793.2156.3-66.70000108.5Y191Y191-S193 PolarHBondContact O-N 3.48Å
194V44.6Very low39.6Very low124 Ų124130.6 Ų130.675%0.75279%0.788SS**  trans-112.998157.3-175.40000106.8L192L192-V194 PolarHBondContact O-N 3.49Å
195L37.6Very low39.4Very low161 Ų161131.5 Ų131.584%0.84379%0.787SS**  trans-162.687.1157.6-145.167.5000106.6
196N37.7Very low39.1Very low126 Ų126133.5 Ų133.567%0.67479%0.791SS**  55.787.395.7-160.458000112.3T198N196-T198 PolarHBondContact ND2-OG1 3.43Å; N196-T198 VanDerWaalsContact ND2-OG1 3.12Å; N196-T198 PolarHBondContact O-N 3.47Å
197D39.4Very low39.3Very low161 Ų161137.3 Ų137.386%0.86180%0.795SS**  trans-64.7105.6159.4-80.1-38.7000108
198T38.9Very low39.1Very low106 Ų106136.7 Ų136.765%0.6579%0.788SS**  trans-171.5124.91519.50000111.1N196N196-T198 PolarHBondContact ND2-OG1 3.43Å; N196-T198 VanDerWaalsContact ND2-OG1 3.12Å; N196-T198 PolarHBondContact O-N 3.47Å
199A35.2Very low39.2Very low98 Ų98139.6 Ų139.681%0.8180%0.796SS**  trans62130.2143.200000118.6
200G32.8Very low39.6Very low82 Ų82138.1 Ų138.185%0.84579%0.789SS**  trans-81.4-174.7-179.600000114.4
201G30.7Very low39.6Very low76 Ų76138 Ų13878%0.78479%0.786SS**  trans109.4115.1149.900000116
202S32.8Very low40.2Very low125 Ų125132.9 Ų132.987%0.87478%0.78SS**  trans90.1152.4135.8-119.50000120.8
203P56.7Low40.3Very low103 Ų103130.8 Ų130.867%0.66978%0.777SS**  trans-108.2157.1-157.141.3-31.9000113.7
204Y34Very low40.8Very low217 Ų217130 Ų13085%0.85177%0.769SS**  trans176.6159.4132.3-117.7-98.8000111.7
205D40.8Very low41.1Very low138 Ų138131.3 Ų131.374%0.73877%0.771SS**  trans-32.5147.7-177.9-72.9-75.6000119.5
206E35Very low41.8Very low190 Ų190128.2 Ų128.289%0.88876%0.761SS**  -176.7146.4110.9-166.7165.1-178.800111.5
207K46.6Very low42.8Very low179 Ų179131.6 Ų131.678%0.77877%0.769SS**  trans-59.6161.4176.6-77.3165.7164.9175.80113.2
208E39.8Very low43.6Very low158 Ų158134.8 Ų134.874%0.73877%0.771SS**  trans132.9130.7134.4-73.8-66154.400114.1
209L41.9Very low44.3Very low149 Ų149133.4 Ų133.478%0.7877%0.771SS**  trans79.285.3162.2-45.8-177.2000119.3
210S46.7Very low45.3Very low100 Ų100133.2 Ų133.270%0.69977%0.769SS**  trans-51.1148.7148.4-157.10000111.1C212S210-C212 PolarHBondContact OG-N 3.39Å
211P41.5Very low46.4Very low121 Ų121134.4 Ų134.479%0.78676%0.764SS**  -129.1109.1101.76.614.1000112.1S213P211-S213 PolarHBondContact O-N 2.95Å
212C51.9Low47.9Very low107 Ų107135.6 Ų135.672%0.72376%0.758SS**  trans-39.6102.4147.3-173.70000109S210S210-C212 PolarHBondContact OG-N 3.39Å
213S43.4Very low49.2Very low98 Ų98139.7 Ų139.769%0.68575%0.754SS**  trans-86.5121.9162.145.10000106.5P211 L215P211-S213 PolarHBondContact O-N 2.95Å; S213-L215 PolarHBondContact O-N 3.38Å; S213-L215 VanDerWaalsContact O-N 3.07Å
214P47.9Very low49.4Very low112 Ų112141.6 Ų141.673%0.72777%0.767SS**  trans-70.8111.9-179.928.6-30.3000106.9
215L51.5Low50.5Low151 Ų151138.8 Ų138.879%0.79177%0.766SS**  trans-48.5129.4163.8-110.688.8000107.6S213 K217S213-L215 PolarHBondContact O-N 3.38Å; S213-L215 VanDerWaalsContact O-N 3.07Å; L215-K217 PolarHBondContact O-N 3.26Å
216P51.8Low51.2Low96 Ų96137.8 Ų137.862%0.62376%0.761SS**  trans-58.5110.9168.7-18.129.4000107.2Y218 A219P216-Y218 PolarHBondContact O-N 2.84Å; P216-A219 HydrophobicContact CB-CB 4.24Å; P216-A219 PolarHBondContact O-N 2.86Å
217K58.7Low52.5Low197 Ų197133.6 Ų133.686%0.85775%0.753SS**THydrogen-bonded Turntrans-62.27.7-179.2-66.1-173.2179.1-1790114L215L215-K217 PolarHBondContact O-N 3.26Å
218Y56.7Low53.2Low227 Ų227133.3 Ų133.389%0.8975%0.748SS**THydrogen-bonded Turntrans-130.59.4-174.2-64.5-75.3000114.5P216P216-Y218 PolarHBondContact O-N 2.84Å
219A53.1Low54.4Low78 Ų78131.9 Ų131.965%0.64574%0.743SS**  trans-106.29.7-178.400000114.9P216 S221P216-A219 HydrophobicContact CB-CB 4.24Å; P216-A219 PolarHBondContact O-N 2.86Å; A219-S221 PolarHBondContact O-N 3.3Å
220A56.7Low55.3Low94 Ų94132.4 Ų132.478%0.77774%0.739SS**  trans-88.7100.2167.200000108.6
221S56.4Low56.4Low106 Ų106135.5 Ų135.574%0.74174%0.74SS**PPolyproline II helixtrans-51133.2162.2-69.20000108.2A219 R223A219-S221 PolarHBondContact O-N 3.3Å; S221-R223 PolarHBondContact O-N 2.82Å
222P62.5Low57.9Low101 Ų101139.9 Ų139.966%0.65674%0.741SS**PPolyproline II helixtrans-53.4124.3175.7-19.529.2000107.4
223R60Low59Low211 Ų211143.2 Ų143.280%0.79675%0.746SS**PPolyproline II helixtrans-51137.5169.3-77.1-179.7167.6149.3-3.3106.5S221 N225 N226S221-R223 PolarHBondContact O-N 2.82Å; R223-N225 PolarHBondContact O-N 2.97Å; R223-N226 PolarHBondContact O-N 2.84Å
224P60.2Low60.7Low143 Ų143142.9 Ų142.993%0.92974%0.741SS**THydrogen-bonded Turntrans-57.3-13.7-174.517.9-29.6000113.8
225N57.2Low62.3Low158 Ų158142.1 Ų142.185%0.84574%0.736SS**THydrogen-bonded Turntrans-104.818.4176.9-156.20000114.7R223R223-N225 PolarHBondContact O-N 2.97Å
226N55.1Low63.6Low117 Ų117144.8 Ų144.863%0.62675%0.745SS**  trans-136.177.3168.4-153.7-10.6000108.5R223 Y228R223-N226 PolarHBondContact O-N 2.84Å; N226-Y228 PolarHBondContact O-N 3.1Å
227S62.8Low64.4Low102 Ų102144 Ų14471%0.71375%0.754SS**  trans-6986.2170.951.60000108.2M229S227-M229 PolarHBondContact O-N 3.01Å
228Y61.3Low65.1Low173 Ų173138.2 Ų138.268%0.67874%0.738SS**  trans-62.293.1161-173.2-98.1000106.8N226 F230N226-Y228 PolarHBondContact O-N 3.1Å; Y228-F230 AromaticContact CD1-CD2 3.61Å; Y228-F230 HydrophobicContact CD1-CD2 3.61Å; Y228-F230 AromaticContact CD1-CE2 3.74Å; Y228-F230 HydrophobicContact CD1-CE2 3.74Å; Y228-F230 HydrophobicContact CD1-CG 4.33Å; Y228-F230 AromaticContact CE1-CD2 3.76Å; Y228-F230 HydrophobicContact CE1-CD2 3.76Å; Y228-F230 HydrophobicContact CE1-CE1 4.46Å; Y228-F230 AromaticContact CE1-CE2 3.69Å; Y228-F230 HydrophobicContact CE1-CE2 3.69Å; Y228-F230 HydrophobicContact CE1-CG 4.19Å; Y228-F230 HydrophobicContact CE1-CZ 4.06Å; Y228-F230 PolarHBondContact O-N 3.16Å
229M65.9Low66.2Low129 Ų129135.4 Ų135.464%0.63573%0.732SS**  trans-62.4104.7172.1-69.3-170.3-70.800106.3S227 K231S227-M229 PolarHBondContact O-N 3.01Å; M229-K231 HydrophobicContact CB-CG 3.99Å; M229-K231 VanDerWaalsContact CE-CE 3.48Å; M229-K231 PolarHBondContact O-N 2.82Å
230F60.5Low67.1Low159 Ų159141 Ų14170%0.69774%0.742SS**  trans-64.277.1160.1-101.1-86.8000107.3Y228 R232Y228-F230 AromaticContact CD1-CD2 3.61Å; Y228-F230 HydrophobicContact CD1-CD2 3.61Å; Y228-F230 AromaticContact CD1-CE2 3.74Å; Y228-F230 HydrophobicContact CD1-CE2 3.74Å; Y228-F230 HydrophobicContact CD1-CG 4.33Å; Y228-F230 AromaticContact CE1-CD2 3.76Å; Y228-F230 HydrophobicContact CE1-CD2 3.76Å; Y228-F230 HydrophobicContact CE1-CE1 4.46Å; Y228-F230 AromaticContact CE1-CE2 3.69Å; Y228-F230 HydrophobicContact CE1-CE2 3.69Å; Y228-F230 HydrophobicContact CE1-CG 4.19Å; Y228-F230 HydrophobicContact CE1-CZ 4.06Å; Y228-F230 PolarHBondContact O-N 3.16Å; F230-R232 PolarHBondContact O-N 2.77Å
231K69.4Low67.8Low165 Ų165142.1 Ų142.172%0.71774%0.739SS**  trans-71.390162.9-64.8-157.1179.7-174.90105M229 E233M229-K231 HydrophobicContact CB-CG 3.99Å; M229-K231 VanDerWaalsContact CE-CE 3.48Å; M229-K231 PolarHBondContact O-N 2.82Å; K231-E233 PolarHBondContact O-N 2.92Å
232R73.3Confident68.2Low214 Ų214148.2 Ų148.281%0.80875%0.746SS**PPolyproline II helixtrans-62.9125164.1-71.3-176.4171145.8-0.7105.8F230F230-R232 PolarHBondContact O-N 2.77Å
233E74.7Confident68.1Low177 Ų177149.8 Ų149.883%0.82775%0.754SS**PPolyproline II helixtrans-54.2137.2163.9-77.7-172.2142.600107.7K231K231-E233 PolarHBondContact O-N 2.92Å
234P79.6Confident67.7Low90 Ų90144.7 Ų144.758%0.58475%0.75SS**PPolyproline II helixtrans-49.7136.8171.3-23.733.1000108.6E236 C238P234-E236 PolarHBondContact O-N 3.27Å; P234-C238 HydrophobicContact CB-CB 3.56Å
235P80.3Confident67.3Low96 Ų96146 Ų14662%0.62374%0.744SS**  trans-45.8140.4175.7-27.732.9000111.3G237 C238P235-G237 PolarHBondContact O-N 3.44Å; P235-C238 WeakPolarHBondContact O-CB 3.48Å; P235-C238 PolarHBondContact O-N 3.38Å
236E79.8Confident67.1Low208 Ų208147.8 Ų147.897%0.97275%0.747SS**THydrogen-bonded Turntrans-52.1120.1172.3-72.8-173.915400108.8P234P234-E236 PolarHBondContact O-N 3.27Å
237G69.3Low66.5Low79 Ų79145 Ų14581%0.81474%0.737SS**THydrogen-bonded Turntrans110.9-8.5-171.600000115.2P235 E239P235-G237 PolarHBondContact O-N 3.44Å; G237-E239 PolarHBondContact O-N 2.96Å
238C71.9Confident65.7Low76 Ų76147.5 Ų147.551%0.51474%0.739SS.*  trans-77.974.6167.1-72.70000110.4P234 P235 K240P234-C238 HydrophobicContact CB-CB 3.56Å; P235-C238 WeakPolarHBondContact O-CB 3.48Å; P235-C238 PolarHBondContact O-N 3.38Å; C238-K240 PolarHBondContact O-N 2.93Å
239E79.5Confident65Low167 Ų167145.3 Ų145.378%0.7875%0.746SS**  trans-60.3136.7166.362.6-178.1179.600110.1G237 V241G237-E239 PolarHBondContact O-N 2.96Å; E239-V241 PolarHBondContact O-N 3.43Å
240K72Confident64Low195 Ų195146.8 Ų146.885%0.84875%0.749SS**  trans-71.9103.8170.7-70.5175.8-178.9172.60106.7C238 R242C238-K240 PolarHBondContact O-N 2.93Å; K240-R242 PolarHBondContact O-N 2.95Å
241V71.2Confident63.3Low119 Ų119145.1 Ų145.172%0.72175%0.754SS**  trans-54.2113168.4-1800000106.7E239 V243E239-V241 PolarHBondContact O-N 3.43Å; V241-V243 PolarHBondContact O-N 3.45Å
242R65.4Low62.3Low234 Ų234144.7 Ų144.788%0.88376%0.759SS**  trans-64.6107.8171.9-57.2-163.4-42.3-179.17.7105.7K240 S244K240-R242 PolarHBondContact O-N 2.95Å; R242-S244 PolarHBondContact O-N 3.33Å
243V59.8Low61.2Low134 Ų134143.5 Ų143.581%0.81276%0.762SS**  trans-56.5113.6162.7179.20000104.5V241 E245V241-V243 PolarHBondContact O-N 3.45Å; V243-E245 PolarHBondContact O-N 3.49Å
244S52Low60.3Low104 Ų104143.5 Ų143.573%0.72776%0.762SS**  trans-53.8114.6172.647.50000106.5R242 E246R242-S244 PolarHBondContact O-N 3.33Å; S244-E246 PolarHBondContact O-N 2.84Å
245E52.3Low59Low170 Ų170144 Ų14479%0.79476%0.759SS**  trans-51.4113.1164.3-176.8176.4-170.800106.3V243 S247V243-E245 PolarHBondContact O-N 3.49Å; E245-S247 PolarHBondContact O-N 3.25Å
246E53.3Low58Low195 Ų195142 Ų14291%0.91175%0.746SS**  trans-65.472.1166.9-174.3176.2-174.300106.7S244 M248S244-E246 PolarHBondContact O-N 2.84Å; E246-M248 PolarHBondContact O-N 3.5Å
247S41.5Very low56.9Low58 Ų58137.3 Ų137.341%0.40673%0.734SS.*  trans-69.9115.9170.674.90000105.9E245 K250E245-S247 PolarHBondContact O-N 3.25Å; S247-K250 PolarHBondContact OG-NZ 3.45Å
248M47.4Very low56.2Low156 Ų156141.7 Ų141.777%0.76873%0.731SS**  trans6.5129.5150.4-62.6-69.4-75.800115E246 K250E246-M248 PolarHBondContact O-N 3.5Å; M248-K250 PolarHBondContact O-N 2.96Å
249P45.6Very low55.4Low127 Ų127144.4 Ų144.483%0.82574%0.739SS**  trans-58.2108-173.125.5-33.5000110.4
250K45.6Very low54.3Low159 Ų159139.6 Ų139.669%0.69172%0.723SS**  trans-74.1140.8163.9-79.6150.6-177.4154.80107.7S247 M248 L252S247-K250 PolarHBondContact OG-NZ 3.45Å; M248-K250 PolarHBondContact O-N 2.96Å; K250-L252 PolarHBondContact O-N 3.09Å
251P45.4Very low54.2Low125 Ų125134.5 Ų134.581%0.81271%0.71SS**  trans-58.1134.4-179.723.4-30.9000109.6E253P251-E253 PolarHBondContact O-N 3.41Å
252L49Very low53.8Low156 Ų156132.3 Ų132.382%0.81770%0.695SS**  trans-44.4105.1-176.4-66163.2000111.5K250 E254K250-L252 PolarHBondContact O-N 3.09Å; L252-E254 PolarHBondContact O-N 3.07Å; L252-E254 VanDerWaalsContact O-N 3.12Å
253E49.8Very low53.7Low188 Ų188131.2 Ų131.288%0.87969%0.69SS**  trans-73.7101.2162.4-160.2168.6-171.100106.9P251 I255P251-E253 PolarHBondContact O-N 3.41Å; E253-I255 PolarHBondContact O-N 3.16Å; E253-I255 VanDerWaalsContact O-N 3.12Å
254E55Low54Low177 Ų177132.1 Ų132.183%0.82769%0.691SS**  trans10.382.6163-152167-165.400116.4L252 P256L252-E254 PolarHBondContact O-N 3.07Å; L252-E254 VanDerWaalsContact O-N 3.12Å; E254-P256 WeakPolarHBondContact O-CD 3.4Å
255I52.8Low54.7Low101 Ų101135.2 Ų135.252%0.51869%0.691SS.*  trans-65.2126.1162.1-60.2168000107E253 L259E253-I255 PolarHBondContact O-N 3.16Å; E253-I255 VanDerWaalsContact O-N 3.12Å; I255-L259 HydrophobicContact CG2-CB 4.47Å
256P58.5Low55.4Low54 Ų54129.6 Ų129.635%0.35167%0.668SS.*  trans-57.4132.2-179.6-24.532.8000111.6E254 F258 L259E254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-F258 HydrophobicContact CB-CD2 3.7Å; P256-F258 HydrophobicContact CB-CE1 4.09Å; P256-F258 HydrophobicContact CB-CE2 3.1Å; P256-F258 HydrophobicContact CB-CG 4.42Å; P256-F258 HydrophobicContact CB-CZ 3.34Å; P256-F258 HydrophobicContact CG-CE2 4.1Å; P256-F258 HydrophobicContact CG-CZ 4.42Å; P256-F258 PolarHBondContact O-N 3.09Å; P256-L259 PolarHBondContact O-N 3.34Å
257P57.3Low55.9Low109 Ų109127.5 Ų127.571%0.70866%0.663SS**THydrogen-bonded Turntrans-65.6-5-165.123.6-33.8000115
258F55.1Low57Low172 Ų172132.8 Ų132.875%0.75468%0.679SS**THydrogen-bonded Turntrans-85.6-6179.317.8-88.4000114.3P256P256-F258 HydrophobicContact CB-CD2 3.7Å; P256-F258 HydrophobicContact CB-CE1 4.09Å; P256-F258 HydrophobicContact CB-CE2 3.1Å; P256-F258 HydrophobicContact CB-CG 4.42Å; P256-F258 HydrophobicContact CB-CZ 3.34Å; P256-F258 HydrophobicContact CG-CE2 4.1Å; P256-F258 HydrophobicContact CG-CZ 4.42Å; P256-F258 PolarHBondContact O-N 3.09Å
259L55.3Low57.8Low132 Ų132131.8 Ų131.869%0.69168%0.676SS**SBendtrans-99.2-3.5179.7-66.2175.2000114.3I255 P256I255-L259 HydrophobicContact CG2-CB 4.47Å; P256-L259 PolarHBondContact O-N 3.34Å
260C55.8Low58.7Low66 Ų66130.5 Ų130.545%0.44667%0.667SS.*SBendtrans-118.5122.2-179.4-61.30000110D262C260-D262 PolarHBondContact O-N 2.91Å
261P70.4Confident59.4Low88 Ų88129 Ų12957%0.57167%0.667SS**  trans-54.6138171.2-2333000110.7R263 V266P261-R263 PolarHBondContact O-N 3.4Å; P261-R263 VanDerWaalsContact O-N 3.08Å; P261-V266 HydrophobicContact CB-CG2 3.61Å
262D61.8Low60.1Low74 Ų74129.5 Ų129.540%0.39667%0.673SS.*  trans-52.7115.7-179.1178.3-4.1000110.4C260 N264 K265 V266C260-D262 PolarHBondContact O-N 2.91Å; D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 VanDerWaalsContact O-N 3.08Å; D262-N264 WeakPolarHBondContact OD1-CB 3.42Å; D262-N264 PolarHBondContact OD1-N 2.7Å; D262-K265 HydrophobicContact CB-CB 4.07Å; D262-K265 HydrophobicContact CB-CD 4.13Å; D262-K265 HydrophobicContact CB-CG 4.18Å; D262-K265 PolarHBondContact O-N 3.41Å; D262-K265 WeakPolarHBondContact OD2-CD 3.39Å; D262-K265 WeakPolarHBondContact OD2-CE 3.47Å; D262-K265 VanDerWaalsContact OD2-CG 3.29Å; D262-K265 WeakPolarHBondContact OD2-CG 3.33Å; D262-K265 IonicContact OD2-NZ 3.68Å; D262-V266 WeakPolarHBondContact O-CG2 3.38Å; D262-V266 PolarHBondContact O-N 3.35Å; D262-V266 VanDerWaalsContact O-N 3.12Å
263R64.5Low60.6Low211 Ų211125.6 Ų125.680%0.79667%0.671SS**THydrogen-bonded Turntrans-62-20.7-174.6-44.1-178.8-167.1-1723.1112.1P261P261-R263 PolarHBondContact O-N 3.4Å; P261-R263 VanDerWaalsContact O-N 3.08Å
264N65.1Low61.2Low152 Ų152119.9 Ų119.981%0.81365%0.652SS**THydrogen-bonded Turntrans-92.3-4.4178.2-66.815.6000112.6D262D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 VanDerWaalsContact O-N 3.08Å; D262-N264 WeakPolarHBondContact OD1-CB 3.42Å; D262-N264 PolarHBondContact OD1-N 2.7Å
265K67.8Low61.3Low169 Ų169116 Ų11674%0.73565%0.65SS**THydrogen-bonded Turntrans-118.2-5.9178.9-64.9-178.6-174.8172.90113.6D262D262-K265 HydrophobicContact CB-CB 4.07Å; D262-K265 HydrophobicContact CB-CD 4.13Å; D262-K265 HydrophobicContact CB-CG 4.18Å; D262-K265 PolarHBondContact O-N 3.41Å; D262-K265 WeakPolarHBondContact OD2-CD 3.39Å; D262-K265 WeakPolarHBondContact OD2-CE 3.47Å; D262-K265 VanDerWaalsContact OD2-CG 3.29Å; D262-K265 WeakPolarHBondContact OD2-CG 3.33Å; D262-K265 IonicContact OD2-NZ 3.68Å
266V66.3Low61.5Low53 Ų53120.3 Ų120.332%0.32167%0.665SS.*  trans-120.8101.2-179.5-166.40000109.9P261 D262 F268P261-V266 HydrophobicContact CB-CG2 3.61Å; D262-V266 WeakPolarHBondContact O-CG2 3.38Å; D262-V266 PolarHBondContact O-N 3.35Å; D262-V266 VanDerWaalsContact O-N 3.12Å; V266-F268 HydrophobicContact CB-CE2 4.18Å; V266-F268 HydrophobicContact CG1-CD2 4.3Å; V266-F268 HydrophobicContact CG1-CE1 4.36Å; V266-F268 HydrophobicContact CG1-CE2 3.86Å; V266-F268 HydrophobicContact CG1-CZ 3.9Å; V266-F268 PolarHBondContact O-N 3.49Å
267N63.7Low61.4Low151 Ų151121.2 Ų121.281%0.80767%0.672SS**  trans-78.1106.2169-71.8-61.9000108.6I269N267-I269 PolarHBondContact O-N 3.43Å
268F64Low61.1Low169 Ų169123.8 Ų123.874%0.74168%0.679SS**  trans-76.6106.4167.6-68.6-84.7000108.1V266 P270V266-F268 HydrophobicContact CB-CE2 4.18Å; V266-F268 HydrophobicContact CG1-CD2 4.3Å; V266-F268 HydrophobicContact CG1-CE1 4.36Å; V266-F268 HydrophobicContact CG1-CE2 3.86Å; V266-F268 HydrophobicContact CG1-CZ 3.9Å; V266-F268 PolarHBondContact O-N 3.49Å; F268-P270 WeakPolarHBondContact O-CD 3.16Å
269I65.1Low60.8Low135 Ų135121.3 Ų121.369%0.69268%0.678SS**  trans-91.5103.2168.2-56.1176.2000106.3N267 N271N267-I269 PolarHBondContact O-N 3.43Å; I269-N271 PolarHBondContact O-N 2.82Å
270P63.9Low60.9Low100 Ų100120.3 Ų120.365%0.64968%0.682SS**  trans-67.1105.2172.527-31.7000107.9F268 S272F268-P270 WeakPolarHBondContact O-CD 3.16Å; P270-S272 PolarHBondContact O-N 2.93Å
271N61.3Low60.8Low126 Ų126124.3 Ų124.367%0.67470%0.697SS**  trans-64.3120.1170.5-66.6-22.7000107.6I269 G273 S274I269-N271 PolarHBondContact O-N 2.82Å; N271-G273 PolarHBondContact O-N 2.91Å; N271-S274 PolarHBondContact O-N 3.06Å
272S59.7Low59.8Low136 Ų136127.9 Ų127.995%0.95171%0.711SS**THydrogen-bonded Turntrans-61.421.8178.7-57.30000115.4P270P270-S272 PolarHBondContact O-N 2.93Å
273G59.8Low59.3Low74 Ų74132.8 Ų132.876%0.76373%0.729SS**THydrogen-bonded Turntrans-1216.3178.600000114.5N271 A275N271-G273 PolarHBondContact O-N 2.91Å; G273-A275 PolarHBondContact O-N 3.4Å
274S62.4Low58.2Low69 Ų69128.1 Ų128.148%0.48373%0.725SS.*  trans-73.6120.2174.1178.60000110.7N271 F276 C277N271-S274 PolarHBondContact O-N 3.06Å; S274-F276 PolarHBondContact O-N 2.96Å; S274-F276 PolarHBondContact OG-N 3Å; S274-C277 WeakPolarHBondContact O-CB 3.18Å; S274-C277 PolarHBondContact O-N 3.37Å
275A56.9Low57.3Low96 Ų96128.7 Ų128.779%0.79373%0.727SS**THydrogen-bonded Turntrans-62.5-9.7176.800000114.1G273G273-A275 PolarHBondContact O-N 3.4Å
276F57.2Low56.3Low191 Ų191127.9 Ų127.984%0.83873%0.731SS**THydrogen-bonded Turntrans-113.27.8178-59.2-76.5000113S274 L278S274-F276 PolarHBondContact O-N 2.96Å; S274-F276 PolarHBondContact OG-N 3Å; F276-L278 PolarHBondContact O-N 3.32Å; F276-L278 VanDerWaalsContact O-N 3.12Å
277C55.3Low55.1Low73 Ų73131.3 Ų131.349%0.49375%0.754SS.*SBendtrans-71.9110169.9-149.90000107.1S274 V279S274-C277 WeakPolarHBondContact O-CB 3.18Å; S274-C277 PolarHBondContact O-N 3.37Å; C277-V279 PolarHBondContact O-N 3.28Å
278L52.5Low53.9Low162 Ų162128.1 Ų128.185%0.84875%0.748SS**  trans-53.3110.9167.7-69.1173000106.3F276 S280F276-L278 PolarHBondContact O-N 3.32Å; F276-L278 VanDerWaalsContact O-N 3.12Å; L278-S280 PolarHBondContact O-N 3.28Å
279V48.1Very low52.8Low121 Ų121126 Ų12673%0.73375%0.751SS**  trans-53.7110.5171.3178.80000104.8C277 I281C277-V279 PolarHBondContact O-N 3.28Å; V279-I281 WeakPolarHBondContact O-CG1 3.48Å; V279-I281 PolarHBondContact O-N 3.29Å
280S58.1Low51.7Low111 Ų111126.4 Ų126.478%0.77676%0.755SS**  trans-61.493.6162.5-91.50000105.1L278 L282L278-S280 PolarHBondContact O-N 3.28Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.45Å
281I52.5Low50.6Low150 Ų150129.6 Ų129.677%0.76977%0.766SS**  trans-58103.1168.9-13.6176.3000103.4V279 K283V279-I281 WeakPolarHBondContact O-CG1 3.48Å; V279-I281 PolarHBondContact O-N 3.29Å; I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 3.09Å
282L48.9Very low49.6Very low163 Ų163130.2 Ų130.285%0.85377%0.769SS**  trans-54.7106.8168.6-77.3168.8000105.3S280S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.45Å
283K53.2Low48.4Very low177 Ų177134 Ų13477%0.7777%0.769SS**  trans6.9111.5162.5-151.9156.6-176164.50112.8I281 L285I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 3.09Å; K283-L285 PolarHBondContact O-N 3.47Å
284P39.6Very low47.7Very low112 Ų112141.7 Ų141.773%0.72778%0.775SS**  trans-62.210917224.4-29.1000107.6L286P284-L286 PolarHBondContact O-N 3.12Å
285L46.6Very low46.9Very low164 Ų164143.4 Ų143.486%0.85978%0.784SS**  trans-67104.2169.2-66.9172.9000106.1K283K283-L285 PolarHBondContact O-N 3.47Å
286L47.2Very low45.7Very low153 Ų153142 Ų14280%0.80178%0.779SS**  trans-57.8136.4167.3-66.1174.2000108.4P284 A288P284-L286 PolarHBondContact O-N 3.12Å; L286-A288 PolarHBondContact O-N 3.2Å; L286-A288 VanDerWaalsContact O-N 3.15Å
287P40.6Very low44.8Very low125 Ų125140.2 Ų140.281%0.81278%0.783SS**  trans-71.5107.9166.627.5-27.2000107.8
288A40.2Very low44Very low83 Ų83140.1 Ų140.169%0.68680%0.795SS**PPolyproline II helixtrans-73.3135.916800000108.8L286L286-A288 PolarHBondContact O-N 3.2Å; L286-A288 VanDerWaalsContact O-N 3.15Å
289P40.6Very low43.6Very low124 Ų124141.1 Ų141.181%0.80580%0.8SS**PPolyproline II helixtrans-70.4132.4174.327.4-31.4000110.7L291P289-L291 PolarHBondContact O-N 3.36Å
290D40.7Very low43.2Very low145 Ų145147.1 Ų147.178%0.77581%0.809SS**PPolyproline II helixtrans-56.4124.2178.9-59.3-64.3000112.4
291L41Very low42.2Very low167 Ų167146.9 Ų146.987%0.87481%0.808SS**  trans-121.5104.8154.6-75.2175.8000109.2P289P289-L291 PolarHBondContact O-N 3.36Å
292N39.9Very low41.6Very low139 Ų139147.5 Ų147.574%0.74381%0.812SS**  trans-49126.1172-69.8-80.4000113.2
293F36.2Very low41Very low214 Ų214145 Ų14594%0.93981%0.808SS**  trans-149.2121.1137.7-73.3-72.3000109.3
294R43.6Very low40.6Very low237 Ų237142.9 Ų142.989%0.89481%0.813SS**  trans-100.9175.4171.7-138.1-148.4173.9-154.52.5108.2
295P45.8Very low40.5Very low105 Ų105142.7 Ų142.768%0.68281%0.814SS**  cis-123.8162.9-3125.3-5.7000112.4
296G32.8Very low40.2Very low66 Ų66143 Ų14368%0.6882%0.816SS**  trans-174.5106.4167.600000115.2
297V37.3Very low39.9Very low153 Ų153141.8 Ų141.893%0.92781%0.814SS**  trans48.4128152-66.80000120.4
298G39.1Very low40Very low71 Ų71141.3 Ų141.373%0.73281%0.811SS**  trans-75.2167.4-164.800000116.5
299L43Very low39.8Very low183 Ų183145.2 Ų145.296%0.95882%0.819SS**  trans-146.5129.2144.2-76.5-178.2000108.5
300R41.2Very low39.4Very low247 Ų247144.4 Ų144.493%0.93282%0.817SS**  trans-76140.7166.2-70.8-174.7169.3-153.7-0.9109
301S35.5Very low39.5Very low107 Ų107143.6 Ų143.675%0.74882%0.817SS**  trans-166.895.6150.4-1600000109.4
302L40.6Very low39.3Very low162 Ų162144 Ų14485%0.84882%0.815SS**  75.89499.6-67.5174.6000114.2
303S36.6Very low39.6Very low112 Ų112142.6 Ų142.678%0.78381%0.813SS**  trans-69.6140.3157.2-40.20000109.9S305S303-S305 PolarHBondContact O-N 3.29Å
304P44.4Very low39.6Very low132 Ų132138.8 Ų138.886%0.85781%0.811SS**  trans-80.7112.2169.630.1-27.6000109.6
305S38.4Very low39.2Very low107 Ų107135.9 Ų135.975%0.74881%0.813SS**PPolyproline II helixtrans-78.5131.5166.51780000109.1S303 V307S303-S305 PolarHBondContact O-N 3.29Å; S305-V307 PolarHBondContact O-N 3.33Å
306L40.3Very low38.8Very low172 Ų172139.5 Ų139.590%0.90183%0.825SS**PPolyproline II helixtrans-69.4121.8172.6-68.4166000109.3
307V40.2Very low38.9Very low126 Ų126144.7 Ų144.776%0.76483%0.832SS**PPolyproline II helixtrans-95.3133.2171.9-169.10000108.5S305S305-V307 PolarHBondContact O-N 3.33Å
308P42.3Very low39Very low116 Ų116145 Ų14575%0.75382%0.823SS**PPolyproline II helixtrans-82.9126.2171.131.7-28.9000109.8S310P308-S310 PolarHBondContact O-N 3.36Å
309L35.4Very low39.8Very low164 Ų164146.1 Ų146.186%0.85982%0.817SS**  trans-87.6103.7173.4-156.674.1000109.2
310S33.2Very low39.9Very low107 Ų107146.7 Ų146.775%0.74882%0.815SS**  trans-76.1132.3163.6176.70000109.1P308P308-S310 PolarHBondContact O-N 3.36Å
311T41.6Very low40.3Very low128 Ų128139.7 Ų139.779%0.78580%0.804SS**  trans-122.9123.3167.5-20.90000108
312Q38.3Very low40.9Very low177 Ų177148.1 Ų148.183%0.82783%0.828SS**PPolyproline II helixtrans-78.4169-173.9-107-149.41700113.4
313P45.2Very low40.9Very low109 Ų109147.5 Ų147.571%0.70883%0.827SS**PPolyproline II helixtrans-84.8150.6-167.335.1-33.8000113.2
314C36.3Very low41.2Very low134 Ų134149.3 Ų149.391%0.90583%0.829SS**PPolyproline II helixtrans-102.3123.1164.7-81.30000109.7
315L35.8Very low41Very low175 Ų175150.3 Ų150.392%0.91683%0.828SS**PPolyproline II helixtrans-67.3142.6169.6-70.7170.5000110.7
316L37Very low41.1Very low182 Ų182152.8 Ų152.895%0.95383%0.833SS**  trans-128.2108.6164.8-152.5103.7000107.9
317E36.1Very low41.2Very low175 Ų175151.6 Ų151.682%0.81883%0.828SS**  trans-128.5128.4165.3-147.1-162.7141.400102.5
318E39.3Very low41.2Very low158 Ų158153.3 Ų153.374%0.73883%0.833SS**  178.4-169.560.3-121.2-150.613800105.6
319P55.7Low41.2Very low95 Ų95156 Ų15662%0.61784%0.838SS**  cis-130.3165.7-25.826.5-5.8000113.8
320E43.8Very low41.6Very low196 Ų196155.4 Ų155.492%0.91684%0.837SS**  trans-66.9143.2155.6-84.8177.6128.900111
321S51.3Low42.3Very low100 Ų100159.4 Ų159.470%0.69984%0.844SS**  trans-158.2127.6149.840.80000113.2
322F47.3Very low42.4Very low284 Ų284162.3 Ų162.3100%1.24685%0.849SS**  trans76.80165.5-65.6-75.8000120.6

Retrieved 322 of 322 residues in 178.7 ms (Link to these results)