A0A087XAJ4_POEFO Loading...

RNA binding motif, single stranded interacting protein 2a

AlphaFold DB , UniProt , Accession A0A087XAJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M43.9Very low42.6Very low233 Ų233142.7 Ų142.7100%1.14882%0.815SS**  098.70-62.7164.7-175.500105.4
2L39.3Very low42.1Very low154 Ų154143 Ų14381%0.80681%0.812SS**  74.799.778-72.4177000113.5
3L39.7Very low42.6Very low160 Ų160140.2 Ų140.284%0.83880%0.802SS**  trans68.1158.9138.3-55.1171000120.9
4S35.6Very low42Very low91 Ų91145.1 Ų145.164%0.63680%0.804SS**  cis177.690.5-42.51690000111.5
5V40.5Very low41.2Very low135 Ų135144.6 Ų144.682%0.81880%0.799SS**  trans59.3-169.6147.1-131.20000117.5
6P59.7Low40.5Very low109 Ų109139.7 Ų139.771%0.70879%0.792SS**  -129.2-134.3-124.748.2-27.5000113.3
7P60.9Low40.1Very low108 Ų108143.1 Ų143.170%0.70179%0.791SS**  cis-135.9179.4-33.941.4-25.1000116.2
8R40.9Very low39.7Very low237 Ų237143 Ų14389%0.89479%0.789SS**  trans79.4137.8138.5-149.6-179.5-168-175.23.7122.6
9A36.8Very low39.3Very low101 Ų101138.9 Ų138.984%0.83577%0.772SS**  trans64.7157.9160.100000117.9
10G32.3Very low39Very low65 Ų65143.1 Ų143.167%0.6778%0.775SS**  cis159.6165.8-10.100000112.8
11I39Very low38.7Very low177 Ų177143 Ų14391%0.90877%0.774SS**  trans75.1127.6166-56.8170.8000117.3
12N37.1Very low38.2Very low146 Ų146136.1 Ų136.178%0.78175%0.749SS**  trans-88.5151.9167.1-145.131.7000108.2
13P48.8Very low38.1Very low106 Ų106138.3 Ų138.369%0.68875%0.752SS**  -163.7171.372.944.3-23000119.9
14Y33Very low37.8Very low209 Ų209139.4 Ų139.482%0.8275%0.75SS**  trans58.7131.9141.2-98.6-89000125.8
15N31.3Very low37.7Very low138 Ų138143.2 Ų143.274%0.73876%0.758SS**  trans80.9144.6140.6-130.36.9000121.2
16G29.1Very low37.3Very low66 Ų66142.2 Ų142.268%0.6876%0.757SS**  trans153.846.3167.200000122.6
17Y34.5Very low35.9Very low197 Ų197147.2 Ų147.277%0.77376%0.763SS**  trans33.7113.9151.5-68.4-79.8000123.9
18N31.9Very low34.7Very low142 Ų142149.2 Ų149.276%0.75977%0.773SS**  75.2125.7111.1-162.710.3000122.7
19S32.7Very low34.2Very low66 Ų66142.1 Ų142.146%0.46276%0.76SS.*  130.3131.5118.9-151.10000118
20R33.9Very low34Very low221 Ų221143.6 Ų143.683%0.83476%0.764SS**  trans64.6148.5157.2-81.6167.6-82.4-173.5-5.3117
21N32.6Very low34Very low142 Ų142143.9 Ų143.976%0.75977%0.767SS**  cis-153.4160.3-11.4-141.414.1000106.7
22S33.9Very low34.1Very low88 Ų88145 Ų14562%0.61577%0.768SS**  cis-143.6-145.621.7-43.10000109.7
23K35.2Very low34.1Very low201 Ų201147.1 Ų147.187%0.87477%0.773SS**  cis-153.2-144.712.3-144162.4-168.9176.30112
24K34.1Very low33.7Very low182 Ų182151.1 Ų151.179%0.79179%0.785SS**  trans-91.6158.9-178.8-60.2-178.7176.6-177.50110.2
25Q33Very low34.5Very low171 Ų171145.5 Ų145.580%0.79978%0.782SS**  cis-167.1141.942.8-161154.8-45.700114.4
26S32.2Very low35.4Very low115 Ų115144.6 Ų144.680%0.80478%0.783SS**  trans46.6143.3152.6-560000124.5
27Y30.8Very low36.3Very low213 Ų213147.5 Ų147.584%0.83579%0.79SS**  trans-81151.7178.5-85.3-113.5000115.3
28V35.8Very low36.6Very low150 Ų150143.3 Ų143.391%0.90979%0.789SS**  trans-142.9145.8130.4-177.40000108.2
29S30Very low37.4Very low89 Ų89142.6 Ų142.662%0.62279%0.792SS**  trans-110.7137.5-176.2-56.50000113.3
30S32.2Very low37.5Very low132 Ų132146.4 Ų146.492%0.92381%0.808SS**  trans165153.2136.2-78.50000112.7
31G34.1Very low38.1Very low70 Ų70141.9 Ų141.972%0.72281%0.805SS**  trans114.1108.5165.900000114.7
32H40.8Very low38.3Very low202 Ų202141.7 Ų141.794%0.93580%0.804SS**  trans-73.6136176.1-65.342.8000110.4
33Q35.4Very low38.5Very low190 Ų190142.9 Ų142.989%0.88881%0.812SS**  trans-113.6141.4164.9-69-169.7400110.1
34M42.3Very low38.6Very low190 Ų190138.2 Ų138.294%0.93681%0.805SS**PPolyproline II helixtrans-80.7151.3178.9-70.9-171.7-94.300111.7
35A49.7Very low39.2Very low91 Ų91135 Ų13575%0.75281%0.805SS**PPolyproline II helixtrans-71.4143.2177.100000112
36P49.9Very low39.6Very low119 Ų119134 Ų13477%0.77381%0.805SS**PPolyproline II helixtrans-73.1138.4171.730.5-33.8000110.9
37P47.7Very low40.2Very low126 Ų126134 Ų13482%0.81881%0.805SS**PPolyproline II helixtrans-74.9149.1176.130.6-34.5000112.4
38S41Very low40.8Very low109 Ų109129.1 Ų129.176%0.76280%0.802SS**PPolyproline II helixtrans-62.6151179.4-54.30000113.4N40S38-N40 PolarHBondContact O-N 3.48Å
39P47.9Very low40.9Very low127 Ų127125.7 Ų125.783%0.82580%0.798SS**PPolyproline II helixtrans-69.8117.8-179.328.2-34.5000112
40N35.3Very low41.2Very low146 Ų146125.1 Ų125.178%0.78181%0.806SS**PPolyproline II helixtrans-83.7121.9171.2-170.47.6000110.2S38 N42S38-N40 PolarHBondContact O-N 3.48Å; N40-N42 PolarHBondContact O-N 3.31Å
41T45.9Very low41.8Very low127 Ų127123.2 Ų123.278%0.77981%0.807SS**  trans-77.480.2-175.648.80000112
42N38Very low42.2Very low138 Ų138123.1 Ų123.174%0.73881%0.806SS**  trans-101.489.4174-157.47.4000110.3N40 S44N40-N42 PolarHBondContact O-N 3.31Å; N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.25Å
43S36.9Very low43.2Very low113 Ų113119.5 Ų119.579%0.7979%0.789SS**  trans-75.868.6-173.5-55.90000113.2S45S43-S45 PolarHBondContact O-N 2.78Å
44S38.6Very low45.2Very low103 Ų103116.5 Ų116.572%0.7278%0.775SS**  trans-71.192.5172.648.10000111.3N42 N46N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.25Å; S44-N46 PolarHBondContact O-N 3.43Å
45S45.2Very low47.1Very low114 Ų114111.3 Ų111.380%0.79775%0.751SS**  trans-65.694173.258.20000110.9S43 S47S43-S45 PolarHBondContact O-N 2.78Å; S45-S47 PolarHBondContact O-N 3.3Å
46N42.3Very low48.7Very low149 Ų149107.6 Ų107.680%0.79772%0.719SS**  trans-75.1104.2-178.4-172.833.4000111.5S44S44-N46 PolarHBondContact O-N 3.43Å
47S44Very low50.5Low116 Ų116109 Ų10981%0.81171%0.713SS**  trans-102.395.1171.461.40000110.2S45S45-S47 PolarHBondContact O-N 3.3Å
48S43.7Very low52.6Low110 Ų110105 Ų10577%0.76969%0.687SS**  trans-77.2135.4-17952.50000113.4
49G37.8Very low55.1Low79 Ų79101 Ų10181%0.81466%0.656SS**  trans139.9121157.500000115.7
50G36Very low57.2Low77 Ų7794.9 Ų94.979%0.79462%0.617SS**SBendtrans92.6151.2171.500000115.1G52G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å
51G46.2Very low60Low91 Ų9189.8 Ų89.894%0.93859%0.587SS**  trans-70.381.7175.700000111.2E53G51-E53 PolarHBondContact O-N 3.13Å
52G41.9Very low62.3Low68 Ų6883.7 Ų83.770%0.70155%0.55SS*.  trans-72.2117.3-168.500000113.7G50 Q54G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å; G52-Q54 PolarHBondContact O-N 3.18Å; G52-Q54 VanDerWaalsContact O-N 3.16Å
53E62Low65Low127 Ų12783.5 Ų83.559%0.59354%0.539SS*.  trans-53.8118.7164-62.517392.700109.3G51 L55 K130G51-E53 PolarHBondContact O-N 3.13Å; E53-L55 PolarHBondContact O-N 3.31Å; E53-K130 VanDerWaalsContact CD-CE 3.49Å; E53-K130 WeakPolarHBondContact OE1-CD 3.39Å; E53-K130 VanDerWaalsContact OE1-CE 3.31Å; E53-K130 WeakPolarHBondContact OE1-CE 3.3Å; E53-K130 IonicContact OE1-NZ 2.66Å; E53-K130 PolarHBondContact OE1-NZ 2.96Å; E53-K130 WeakPolarHBondContact OE2-CE 3.36Å; E53-K130 IonicContact OE2-NZ 2.71Å; E53-K130 PolarHBondContact OE2-NZ 3.35Å
54Q76.4Confident67.5Low126 Ų12681.2 Ų81.259%0.58953%0.533SS*.  trans-54.5110-173.4-176.462.46800110.4G52 Q131G52-Q54 PolarHBondContact O-N 3.18Å; G52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-Q131 HydrophobicContact CB-CB 4.5Å; Q54-Q131 HydrophobicContact CG-CB 4.26Å; Q54-Q131 WeakPolarHBondContact O-CB 3.48Å; Q54-Q131 PolarHBondContact O-N 2.89Å
55L83.3Confident70Confident82 Ų8277.1 Ų77.143%0.42950%0.503SS..EExtended strand (participates in β ladder)trans-76.3138.6172.8-63.1-177.2000109.2E53 M128 K130E53-L55 PolarHBondContact O-N 3.31Å; L55-M128 HydrophobicContact CB-CB 4.29Å; L55-M128 HydrophobicContact CD1-CB 4.41Å; L55-K130 HydrophobicContact CD2-CG 4.1Å
56S83Confident72.1Confident12 Ų1278 Ų788%0.08449%0.494CS..EExtended strand (participates in β ladder)trans-70.3150.8176.163.70000110.7N59 M128 A129S56-N59 WeakPolarHBondContact OG-CB 3.47Å; S56-N59 PolarHBondContact OG-O 3.31Å; S56-M128 WeakPolarHBondContact O-CE 3.47Å; S56-A129 WeakPolarHBondContact CB-O 3.48Å; S56-A129 PolarHBondContact N-O 2.79Å; S56-A129 PolarHBondContact OG-O 2.92Å
57K87.6Confident74.3Confident149 Ų14974.1 Ų74.165%0.64848%0.477SS*.EExtended strand (participates in β ladder)trans-86.8-24.5-173.8-61.1178.7-177175.80113.2P109 M128K57-P109 HydrophobicContact CB-CB 4.26Å; K57-P109 VanDerWaalsContact O-CA 3.29Å; K57-P109 WeakPolarHBondContact O-CA 3.35Å; K57-P109 WeakPolarHBondContact O-CB 3.24Å; K57-M128 WeakPolarHBondContact O-CE 3.31Å
58T91.2Very high76.4Confident42 Ų4270.7 Ų70.726%0.25846%0.46SS..EExtended strand (participates in β ladder)trans-122.3-22.2-171.851.90000114.3D105 F106 P109 A112T58-D105 VanDerWaalsContact C-OD1 3.26Å; T58-D105 WeakPolarHBondContact CB-OD1 3.3Å; T58-D105 PolarHBondContact OG1-OD1 3.09Å; T58-F106 VanDerWaalsContact CB-O 3.3Å; T58-F106 WeakPolarHBondContact CB-O 3.42Å; T58-F106 WeakPolarHBondContact CG2-O 3.28Å; T58-F106 PolarHBondContact O-N 3.13Å; T58-P109 HydrophobicContact CG2-CB 4.41Å; T58-A112 WeakPolarHBondContact O-CB 3.28Å
59N93.1Very high78.6Confident24 Ų2466.6 Ų66.613%0.12843%0.43CS..EExtended strand (participates in β ladder)trans-98.5133.6-171.1-168.8-23.3000110.8S56 V104 D105 A129S56-N59 WeakPolarHBondContact OG-CB 3.47Å; S56-N59 PolarHBondContact OG-O 3.31Å; N59-V104 CarbonylContact C-O 3.55Å; N59-V104 WeakPolarHBondContact CA-O 3.21Å; N59-D105 HydrophobicContact CB-CB 4.22Å; N59-D105 WeakPolarHBondContact CB-OD1 3.46Å; N59-D105 PolarHBondContact N-OD1 3.46Å; N59-A129 HydrophobicContact CB-CB 4.28Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.29Å
60L93.9Very high81.2Confident0 Ų065.9 Ų65.90%041%0.41CS..EExtended strand (participates in β ladder)trans-108.7138.9-178.3-54.3-163.7000110.8I62 F103 V104 F106 A112 A115 V116 Q127 M128L60-I62 HydrophobicContact CB-CG1 4.36Å; L60-F103 CarbonylContact O-C 3.51Å; L60-F103 WeakPolarHBondContact O-CA 3.39Å; L60-V104 PolarHBondContact N-O 2.81Å; L60-V104 PolarHBondContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 4.32Å; L60-F106 HydrophobicContact CD1-CE2 3.67Å; L60-F106 HydrophobicContact CG-CD2 4.22Å; L60-F106 HydrophobicContact CG-CE2 4.02Å; L60-A112 HydrophobicContact CD2-CB 3.9Å; L60-A115 HydrophobicContact CD1-CB 3.78Å; L60-V116 HydrophobicContact CD1-CG2 3.73Å; L60-V116 HydrophobicContact CD2-CG2 3.36Å; L60-V116 HydrophobicContact CG-CG2 4.13Å; L60-Q127 CarbonylContact C-O 3.44Å; L60-Q127 VanDerWaalsContact CA-O 3.25Å; L60-Q127 WeakPolarHBondContact CA-O 3.38Å; L60-M128 HydrophobicContact CD2-CE 3.73Å; L60-M128 HydrophobicContact CD2-SD 3.49Å; L60-M128 WeakPolarHBondContact CD2-SD 3.18Å
61Y94Very high83.9Confident38 Ų3865.9 Ų65.915%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-97.5125.1163.8172.5-106.5000108.3R63 Y101 F103 A126 Q127Y61-R63 HydrophobicContact CE1-CB 3.93Å; Y61-R63 PolarHBondContact OH-NH1 3.25Å; Y61-Y101 HydrophobicContact CD2-CD2 4.42Å; Y61-Y101 AromaticContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CE2 4.36Å; Y61-Y101 AromaticContact CE2-CG 3.89Å; Y61-Y101 HydrophobicContact CE2-CG 3.89Å; Y61-F103 HydrophobicContact CD2-CD1 4.35Å; Y61-F103 AromaticContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE2 4.48Å; Y61-F103 AromaticContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CE2-CZ 4.36Å; Y61-F103 HydrophobicContact CG-CE1 4.41Å; Y61-A126 WeakPolarHBondContact O-CA 3.24Å; Y61-Q127 HydrophobicContact CD1-CG 3.9Å; Y61-Q127 PolarHBondContact N-O 3.28Å; Y61-Q127 PolarHBondContact O-N 3.03Å
62I94.1Very high86.1Confident0 Ų067.9 Ų67.90%038%0.377CS..EExtended strand (participates in β ladder)trans-120.8127.2-179.7-51.3179.9000108.7L60 L65 L74 Y101 G102 V104 L119 V124 Q125 A126L60-I62 HydrophobicContact CB-CG1 4.36Å; I62-L65 HydrophobicContact CB-CD2 4.5Å; I62-L65 HydrophobicContact CG2-CD2 3.72Å; I62-L74 HydrophobicContact CD1-CD2 4.29Å; I62-Y101 CarbonylContact O-C 3.59Å; I62-Y101 WeakPolarHBondContact O-CA 3.37Å; I62-Y101 WeakPolarHBondContact O-CB 3.14Å; I62-G102 PolarHBondContact N-O 2.85Å; I62-G102 PolarHBondContact O-N 3.12Å; I62-V104 HydrophobicContact CD1-CB 4.41Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; I62-L119 HydrophobicContact CD1-CD1 3.97Å; I62-V124 HydrophobicContact CG2-CG1 3.47Å; I62-V124 VanDerWaalsContact CG2-CG1 3.47Å; I62-Q125 WeakPolarHBondContact CA-O 3.26Å; I62-A126 HydrophobicContact CG1-CB 4.19Å
63R93.5Very high88.5Confident134 Ų13467 Ų6751%0.50636%0.356SS..EExtended strand (participates in β ladder)trans-121.6161.8-178.3-168.5178.9-178.7110.4-4.6110.6Y61 G100 Q125Y61-R63 HydrophobicContact CE1-CB 3.93Å; Y61-R63 PolarHBondContact OH-NH1 3.25Å; R63-G100 CarbonylContact C-O 3.52Å; R63-G100 WeakPolarHBondContact CA-O 3.49Å; R63-Q125 HydrophobicContact CB-CB 4.02Å; R63-Q125 PolarHBondContact N-O 2.84Å; R63-Q125 WeakPolarHBondContact O-CB 3.17Å
64G89.1Confident90Very high64 Ų6461 Ų6166%0.6633%0.328SS*.SBendtrans8219.9-176.300000113.3G100G64-G100 PolarHBondContact N-O 2.66Å
65L91.1Very high90.8Very high17 Ų1757.2 Ų57.29%0.08931%0.314CS..  trans-69.8151.9176.6-54.2-177.8000110.9I62 T69 L74 G100I62-L65 HydrophobicContact CB-CD2 4.5Å; I62-L65 HydrophobicContact CG2-CD2 3.72Å; L65-T69 HydrophobicContact CB-CG2 4.24Å; L65-T69 HydrophobicContact CD1-CG2 4.23Å; L65-T69 HydrophobicContact CD2-CG2 4.31Å; L65-T69 HydrophobicContact CG-CG2 4.5Å; L65-L74 HydrophobicContact CD1-CD1 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.81Å; L65-L74 HydrophobicContact CD1-CG 4.45Å; L65-L74 HydrophobicContact CD2-CD2 4.02Å; L65-G100 PolarHBondContact N-O 3.12Å; L65-G100 WeakPolarHBondContact O-CA 3.44Å
66H89.5Confident91.3Very high133 Ų13359.1 Ų59.162%0.61632%0.318SS*.  trans-69.7146.7174-174.2-111.3000109.9G68 T69H66-G68 PolarHBondContact ND1-N 3.31Å; H66-G68 PolarHBondContact O-N 2.83Å; H66-T69 WeakPolarHBondContact CB-OG1 3.47Å; H66-T69 PolarHBondContact N-OG1 3.05Å; H66-T69 VanDerWaalsContact N-OG1 3.12Å; H66-T69 WeakPolarHBondContact O-CB 3.35Å; H66-T69 PolarHBondContact O-N 3Å; H66-T69 PolarHBondContact O-OG1 3.18Å
67P88.5Confident91.7Very high67 Ų6761.3 Ų61.344%0.43533%0.329SS..THydrogen-bonded Turntrans-57.7-11.5176.119.4-33.9000115.4C98P67-C98 WeakPolarHBondContact O-CB 3.03Å; P67-C98 PolarHBondContact O-N 3.04Å; P67-C98 PolarHBondContact O-SG 3.29Å
68G88.5Confident91.9Very high44 Ų4454.2 Ų54.245%0.45430%0.298SS..THydrogen-bonded Turntrans-103.63.6171.200000116.3H66 T70H66-G68 PolarHBondContact ND1-N 3.31Å; H66-G68 PolarHBondContact O-N 2.83Å; G68-T70 PolarHBondContact O-N 3.01Å
69T90.4Very high92Very high24 Ų2457.7 Ų57.715%0.14731%0.311CS..  trans-71.3105.8-176.8-62.40000112L65 H66 D73 L74 A89 C98L65-T69 HydrophobicContact CB-CG2 4.24Å; L65-T69 HydrophobicContact CD1-CG2 4.23Å; L65-T69 HydrophobicContact CD2-CG2 4.31Å; L65-T69 HydrophobicContact CG-CG2 4.5Å; H66-T69 WeakPolarHBondContact CB-OG1 3.47Å; H66-T69 PolarHBondContact N-OG1 3.05Å; H66-T69 VanDerWaalsContact N-OG1 3.12Å; H66-T69 WeakPolarHBondContact O-CB 3.35Å; H66-T69 PolarHBondContact O-N 3Å; H66-T69 PolarHBondContact O-OG1 3.18Å; T69-D73 HydrophobicContact CG2-CB 3.94Å; T69-L74 HydrophobicContact CG2-CD2 4.45Å; T69-L74 HydrophobicContact CG2-CG 4.39Å; T69-A89 WeakPolarHBondContact O-CB 3.42Å; T69-C98 PolarHBondContact O-SG 2.84Å
70T92.6Very high92Very high64 Ų6460.7 Ų60.739%0.39333%0.332SS..  trans-81.3170.8-179.770.20000112.9G68 Q72 D73 L74G68-T70 PolarHBondContact O-N 3.01Å; T70-Q72 PolarHBondContact O-N 2.64Å; T70-Q72 PolarHBondContact OG1-N 3.09Å; T70-D73 WeakPolarHBondContact CB-OD2 3.32Å; T70-D73 PolarHBondContact N-OD2 3.37Å; T70-D73 PolarHBondContact O-N 2.95Å; T70-D73 PolarHBondContact OG1-OD2 3.01Å; T70-L74 PolarHBondContact O-N 2.84Å; T70-L74 VanDerWaalsContact O-N 3.16Å
71D91.7Very high91.9Very high77 Ų7763 Ų6341%0.41234%0.341SS..Hα-helixtrans-51-39.5169-62-25.3000111.9D73 L74 V75 T87 K88 A89D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.88Å; D71-L74 WeakPolarHBondContact O-CB 3.32Å; D71-L74 PolarHBondContact O-N 3.1Å; D71-V75 WeakPolarHBondContact O-CG2 3.43Å; D71-V75 PolarHBondContact O-N 3.45Å; D71-T87 PolarHBondContact O-OG1 3.25Å; D71-K88 VanDerWaalsContact OD1-CA 3.3Å; D71-K88 WeakPolarHBondContact OD1-CA 3.44Å; D71-A89 PolarHBondContact OD1-N 3.28Å
72Q92.7Very high91.8Very high133 Ų13362.4 Ų62.462%0.62135%0.346SS*.Hα-helixtrans-65-31.3178.2-59.7-17311.200112.7T70 V75 K76T70-Q72 PolarHBondContact O-N 2.64Å; T70-Q72 PolarHBondContact OG1-N 3.09Å; Q72-V75 WeakPolarHBondContact O-CB 3.19Å; Q72-V75 PolarHBondContact O-N 3.46Å; Q72-K76 WeakPolarHBondContact O-CE 3.38Å; Q72-K76 VanDerWaalsContact O-CG 3.26Å; Q72-K76 WeakPolarHBondContact O-CG 3.48Å; Q72-K76 PolarHBondContact O-N 2.92Å
73D92.9Very high91.8Very high51 Ų5168.8 Ų68.827%0.27337%0.374SS..Hα-helixtrans-79-32.5-179.1-53.2-51000110.8T69 T70 D71 K76 L77T69-D73 HydrophobicContact CG2-CB 3.94Å; T70-D73 WeakPolarHBondContact CB-OD2 3.32Å; T70-D73 PolarHBondContact N-OD2 3.37Å; T70-D73 PolarHBondContact O-N 2.95Å; T70-D73 PolarHBondContact OG1-OD2 3.01Å; D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.88Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 2.66Å; D73-K76 PolarHBondContact OD1-NZ 3.3Å; D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 PolarHBondContact O-N 2.89Å
74L92.8Very high91.8Very high0 Ų064.1 Ų64.10%036%0.359CS..Hα-helixtrans-62.8-39.9165.2-70.1177.5000112.1I62 L65 T69 T70 D71 C78 T87 A89 V104I62-L74 HydrophobicContact CD1-CD2 4.29Å; L65-L74 HydrophobicContact CD1-CD1 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.81Å; L65-L74 HydrophobicContact CD1-CG 4.45Å; L65-L74 HydrophobicContact CD2-CD2 4.02Å; T69-L74 HydrophobicContact CG2-CD2 4.45Å; T69-L74 HydrophobicContact CG2-CG 4.39Å; T70-L74 PolarHBondContact O-N 2.84Å; T70-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 WeakPolarHBondContact O-CB 3.32Å; D71-L74 PolarHBondContact O-N 3.1Å; L74-C78 VanDerWaalsContact O-CB 3.31Å; L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.96Å; L74-T87 HydrophobicContact CB-CG2 4.07Å; L74-A89 HydrophobicContact CD1-CB 4.09Å; L74-V104 HydrophobicContact CB-CG2 4.04Å; L74-V104 HydrophobicContact CD1-CG2 4.39Å; L74-V104 HydrophobicContact CD2-CG2 4.32Å; L74-V104 HydrophobicContact CG-CG2 4.5Å
75V93.9Very high92Very high47 Ų4765.2 Ų65.229%0.28535%0.352SS..Hα-helixtrans-59.8-55.2173.1173.30000110.1D71 Q72 L77 C78 Q79 I84 T87D71-V75 WeakPolarHBondContact O-CG2 3.43Å; D71-V75 PolarHBondContact O-N 3.45Å; Q72-V75 WeakPolarHBondContact O-CB 3.19Å; Q72-V75 PolarHBondContact O-N 3.46Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.38Å; V75-C78 PolarHBondContact O-N 2.74Å; V75-C78 VanDerWaalsContact O-N 3.15Å; V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3Å; V75-I84 HydrophobicContact CG1-CD1 4.42Å; V75-T87 HydrophobicContact CB-CG2 4.45Å; V75-T87 HydrophobicContact CG2-CG2 3.49Å; V75-T87 VanDerWaalsContact CG2-CG2 3.49Å
76K92.9Very high91.9Very high122 Ų12267 Ų6753%0.5337%0.366SS..Hα-helixtrans-54.6-43.4-179.7-66.3161.5-153.8163.60112.2Q72 D73Q72-K76 WeakPolarHBondContact O-CE 3.38Å; Q72-K76 VanDerWaalsContact O-CG 3.26Å; Q72-K76 WeakPolarHBondContact O-CG 3.48Å; Q72-K76 PolarHBondContact O-N 2.92Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 2.66Å; D73-K76 PolarHBondContact OD1-NZ 3.3Å
77L91.2Very high92Very high57 Ų5762 Ų6230%0.29835%0.345SS..Hα-helixtrans-67.2-36.2-179.4179.661.1000113D73 V75 Y81 L119D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 PolarHBondContact O-N 2.89Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.38Å; L77-Y81 VanDerWaalsContact O-CE2 3.31Å; L77-Y81 WeakPolarHBondContact O-CE2 3.38Å; L77-L119 HydrophobicContact CD1-CD2 3.71Å; L77-L119 HydrophobicContact CD2-CD2 4.12Å; L77-L119 HydrophobicContact CG-CD2 3.71Å
78C92.1Very high92.2Very high0 Ų063.2 Ų63.20%034%0.343CS..Hα-helixtrans-100.1-21.5-172.7-71.90000114.8L74 V75 P80 Y81 I84 V104 F106L74-C78 VanDerWaalsContact O-CB 3.31Å; L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.96Å; V75-C78 PolarHBondContact O-N 2.74Å; V75-C78 VanDerWaalsContact O-N 3.15Å; C78-P80 VanDerWaalsContact C-CD 3.4Å; C78-Y81 PolarHBondContact O-N 2.64Å; C78-Y81 VanDerWaalsContact O-N 3.11Å; C78-I84 HydrophobicContact CB-CD1 3.62Å; C78-I84 HydrophobicContact CB-CG1 4.38Å; C78-V104 HydrophobicContact CB-CG1 3.88Å; C78-F106 HydrophobicContact CB-CE2 4.5Å; C78-F106 HydrophobicContact CB-CZ 3.81Å
79Q92.8Very high92.3Very high115 Ų11561.5 Ų61.554%0.53733%0.325SS..G310 helixtrans-52.6-38.7-179.5179.2174.2-11.200115.6V75 Y81 G82V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3Å; Q79-Y81 PolarHBondContact O-N 3.22Å; Q79-Y81 VanDerWaalsContact O-N 3.16Å; Q79-G82 PolarHBondContact O-N 2.99Å
80P93.9Very high92.4Very high87 Ų8761.9 Ų61.957%0.56533%0.326SS*.G310 helixtrans-68.3-11.4179.226.5-35.8000114.3C78C78-P80 VanDerWaalsContact C-CD 3.4Å
81Y92.5Very high92.4Very high50 Ų5062.9 Ų62.920%0.19633%0.328CS..G310 helixtrans-93.2-24.8-179.5-51.4-54.4000113.3L77 C78 Q79 A115 A118 L119L77-Y81 VanDerWaalsContact O-CE2 3.31Å; L77-Y81 WeakPolarHBondContact O-CE2 3.38Å; C78-Y81 PolarHBondContact O-N 2.64Å; C78-Y81 VanDerWaalsContact O-N 3.11Å; Q79-Y81 PolarHBondContact O-N 3.22Å; Q79-Y81 VanDerWaalsContact O-N 3.16Å; Y81-A115 HydrophobicContact CD2-CB 3.73Å; Y81-A115 HydrophobicContact CG-CB 3.88Å; Y81-A118 HydrophobicContact CD1-CB 3.86Å; Y81-A118 HydrophobicContact CE1-CB 3.28Å; Y81-A118 HydrophobicContact CE2-CB 4.44Å; Y81-L119 HydrophobicContact CE2-CD2 3.84Å; Y81-L119 HydrophobicContact CE2-CG 3.9Å
82G91.9Very high92.3Very high24 Ų2461.4 Ų61.425%0.24732%0.32CS..SBendtrans165.3-178.6172.400000113.7Q79 I84Q79-G82 PolarHBondContact O-N 2.99Å; G82-I84 PolarHBondContact O-N 2.89Å
83K93.8Very high92.1Very high134 Ų13464.3 Ų64.358%0.58333%0.331SS*.  trans-66124.4178.2178.4-178.6152.6-1530110.7F106 D107K83-F106 WeakPolarHBondContact O-CD1 3.36Å; K83-D107 HydrophobicContact CB-CB 3.94Å; K83-D107 HydrophobicContact CD-CB 3.89Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-OD1 3.23Å; K83-D107 WeakPolarHBondContact CE-OD1 3.4Å; K83-D107 WeakPolarHBondContact CE-OD2 3.43Å; K83-D107 HydrophobicContact CG-CB 3.88Å; K83-D107 IonicContact NZ-OD1 2.65Å; K83-D107 PolarHBondContact NZ-OD1 2.8Å; K83-D107 IonicContact NZ-OD2 2.63Å; K83-D107 PolarHBondContact NZ-OD2 2.72Å; K83-D107 WeakPolarHBondContact O-CB 3.03Å; K83-D107 PolarHBondContact O-N 2.9Å
84I93.7Very high91.9Very high37 Ų3767.5 Ų67.519%0.1935%0.352CS..EExtended strand (participates in β ladder)trans-91.5136176.7-60.9171.8000109.3V75 C78 G82 S86 T87 V104 D105 F106V75-I84 HydrophobicContact CG1-CD1 4.42Å; C78-I84 HydrophobicContact CB-CD1 3.62Å; C78-I84 HydrophobicContact CB-CG1 4.38Å; G82-I84 PolarHBondContact O-N 2.89Å; I84-S86 VanDerWaalsContact CG2-O 3.3Å; I84-S86 WeakPolarHBondContact CG2-O 3.38Å; I84-T87 HydrophobicContact CD1-CG2 4.38Å; I84-T87 HydrophobicContact CG2-CG2 3.76Å; I84-V104 HydrophobicContact CD1-CG1 4.22Å; I84-V104 HydrophobicContact CG1-CG1 4.21Å; I84-V104 HydrophobicContact CG2-CG1 4.07Å; I84-D105 WeakPolarHBondContact CG2-O 3Å; I84-F106 HydrophobicContact CG1-CD1 4.29Å; I84-F106 HydrophobicContact CG1-CE1 3.99Å; I84-F106 HydrophobicContact CG1-CZ 4.41Å
85V92.5Very high91.8Very high86 Ų8671.4 Ų71.452%0.52138%0.377SS..EExtended strand (participates in β ladder)trans-90.6-39.5171.5172.50000110.8D105 D107V85-D105 PolarHBondContact N-O 2.93Å; V85-D107 HydrophobicContact CG2-CB 3.93Å
86S88.6Confident91.5Very high56 Ų5674.8 Ų74.839%0.39239%0.393SS..EExtended strand (participates in β ladder)trans-154.4150.4-178.7-170.20000112.5I84 V104 D105I84-S86 VanDerWaalsContact CG2-O 3.3Å; I84-S86 WeakPolarHBondContact CG2-O 3.38Å; S86-V104 WeakPolarHBondContact O-CA 3.38Å; S86-D105 PolarHBondContact N-O 2.77Å; S86-D105 PolarHBondContact O-N 2.99Å
87T92.4Very high91.3Very high26 Ų2675.2 Ų75.216%0.1640%0.395CS..EExtended strand (participates in β ladder)trans-130.6151.916659.20000109.9D71 L74 V75 I84 F103 V104D71-T87 PolarHBondContact O-OG1 3.25Å; L74-T87 HydrophobicContact CB-CG2 4.07Å; V75-T87 HydrophobicContact CB-CG2 4.45Å; V75-T87 HydrophobicContact CG2-CG2 3.49Å; V75-T87 VanDerWaalsContact CG2-CG2 3.49Å; I84-T87 HydrophobicContact CD1-CG2 4.38Å; I84-T87 HydrophobicContact CG2-CG2 3.76Å; T87-F103 CarbonylContact C-O 3.53Å; T87-F103 WeakPolarHBondContact CA-O 3.12Å; T87-V104 HydrophobicContact CG2-CG1 4.17Å; T87-V104 HydrophobicContact CG2-CG2 4.04Å
88K91.6Very high91.3Very high93 Ų9373.2 Ų73.240%0.40439%0.385SS..EExtended strand (participates in β ladder)trans-15996179.1-166.4-177-177.8177.80111.9D71 I90 G102 F103D71-K88 VanDerWaalsContact OD1-CA 3.3Å; D71-K88 WeakPolarHBondContact OD1-CA 3.44Å; K88-I90 HydrophobicContact CD-CD1 4.02Å; K88-I90 HydrophobicContact CG-CD1 4.01Å; K88-G102 CarbonylContact O-C 3.57Å; K88-G102 WeakPolarHBondContact O-CA 3.31Å; K88-F103 PolarHBondContact N-O 2.88Å; K88-F103 PolarHBondContact O-N 3.15Å
89A92.5Very high91.3Very high8 Ų878.5 Ų78.57%0.06641%0.408CS..EExtended strand (participates in β ladder)trans-63.2133.5162.200000108.8T69 D71 L74 L91T69-A89 WeakPolarHBondContact O-CB 3.42Å; D71-A89 PolarHBondContact OD1-N 3.28Å; L74-A89 HydrophobicContact CD1-CB 4.09Å; A89-L91 PolarHBondContact O-N 2.8Å
90I91.6Very high91.2Very high33 Ų3373.9 Ų73.917%0.16939%0.392CS..EExtended strand (participates in β ladder)trans-88.9105.1176.6-57.2-54.8000108.7K88 K99 Y101 F103K88-I90 HydrophobicContact CD-CD1 4.02Å; K88-I90 HydrophobicContact CG-CD1 4.01Å; I90-K99 HydrophobicContact CG2-CD 3.91Å; I90-K99 WeakPolarHBondContact O-CB 3.49Å; I90-K99 WeakPolarHBondContact O-CG 3.41Å; I90-K99 PolarHBondContact O-N 2.78Å; I90-Y101 HydrophobicContact CB-CD2 3.98Å; I90-Y101 HydrophobicContact CB-CE2 3.66Å; I90-Y101 HydrophobicContact CG1-CD2 3.79Å; I90-Y101 HydrophobicContact CG1-CE2 3.52Å; I90-Y101 HydrophobicContact CG2-CE2 3.93Å; I90-Y101 PolarHBondContact N-O 3.39Å; I90-F103 HydrophobicContact CD1-CD2 3.96Å; I90-F103 HydrophobicContact CD1-CE2 4.03Å; I90-F103 HydrophobicContact CG1-CD2 3.94Å; I90-F103 HydrophobicContact CG1-CE2 3.79Å
91L91.6Very high91.2Very high85 Ų8572.3 Ų72.345%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-76.9146.8172.3-52.5-174.4000111.1A89 K97 C98A89-L91 PolarHBondContact O-N 2.8Å; L91-K97 CarbonylContact C-O 3.56Å; L91-K97 WeakPolarHBondContact CA-O 3.3Å; L91-C98 HydrophobicContact CD2-CB 4.21Å; L91-C98 WeakPolarHBondContact CD2-SG 3.47Å
92D90.1Very high91.2Very high46 Ų4669.9 Ų69.925%0.24637%0.366CS..  trans-76.5141.1164172.338.1000110T94 T95 N96 K97 K99D92-T94 PolarHBondContact OD2-OG1 2.79Å; D92-T95 WeakPolarHBondContact CB-OG1 3.46Å; D92-T95 WeakPolarHBondContact OD2-CB 3.47Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.5Å; D92-T95 PolarHBondContact OD2-N 2.81Å; D92-T95 VanDerWaalsContact OD2-N 3.09Å; D92-T95 PolarHBondContact OD2-OG1 2.92Å; D92-N96 WeakPolarHBondContact O-CA 3.37Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-K97 PolarHBondContact N-O 3.35Å; D92-K99 HydrophobicContact CB-CD 4.37Å; D92-K99 HydrophobicContact CB-CG 3.83Å
93K87.9Confident91.4Very high193 Ų19371.5 Ų71.584%0.83937%0.366SS*.THydrogen-bonded Turntrans-79.1-26.5-173-71.5-174.6177.8-179.40113.6
94T90.4Very high91.4Very high118 Ų11865.1 Ų65.172%0.72434%0.338SS*.THydrogen-bonded Turntrans-86.8-47.3-179.155.90000110.6D92D92-T94 PolarHBondContact OD2-OG1 2.79Å
95T89.5Confident91.3Very high83 Ų8365.3 Ų65.351%0.50934%0.339SS..THydrogen-bonded Turntrans-87.7-15.4-178.563.30000114.8D92 K97D92-T95 WeakPolarHBondContact CB-OG1 3.46Å; D92-T95 WeakPolarHBondContact OD2-CB 3.47Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.5Å; D92-T95 PolarHBondContact OD2-N 2.81Å; D92-T95 VanDerWaalsContact OD2-N 3.09Å; D92-T95 PolarHBondContact OD2-OG1 2.92Å; T95-K97 PolarHBondContact O-N 3.07Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 3.45Å
96N87.4Confident91.4Very high117 Ų11761.3 Ų61.363%0.62632%0.315SS*.  trans55.615.8-169.6-68.8-87.1000114.5D92D92-N96 WeakPolarHBondContact O-CA 3.37Å; D92-N96 PolarHBondContact O-N 3.47Å
97K90.1Very high91.6Very high132 Ų13262.9 Ų62.957%0.57432%0.319SS*.SBendtrans-97.5162.2176-66.1-172.1-178.2-176.10111.5L91 D92 T95L91-K97 CarbonylContact C-O 3.56Å; L91-K97 WeakPolarHBondContact CA-O 3.3Å; D92-K97 PolarHBondContact N-O 3.35Å; T95-K97 PolarHBondContact O-N 3.07Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 3.45Å
98C90.2Very high91.7Very high14 Ų1464 Ų6410%0.09533%0.328CS..EExtended strand (participates in β ladder)trans-75.4131.4-174.5-45.70000110.6P67 T69 L91 G100P67-C98 WeakPolarHBondContact O-CB 3.03Å; P67-C98 PolarHBondContact O-N 3.04Å; P67-C98 PolarHBondContact O-SG 3.29Å; T69-C98 PolarHBondContact O-SG 2.84Å; L91-C98 HydrophobicContact CD2-CB 4.21Å; L91-C98 WeakPolarHBondContact CD2-SG 3.47Å; C98-G100 PolarHBondContact O-N 2.68Å
99K91.8Very high91.8Very high111 Ų11162.6 Ų62.648%0.48333%0.328SS..EExtended strand (participates in β ladder)trans-72.217.3-179.7-62.8-175.475.6-166.30114.4I90 D92 Y101I90-K99 HydrophobicContact CG2-CD 3.91Å; I90-K99 WeakPolarHBondContact O-CB 3.49Å; I90-K99 WeakPolarHBondContact O-CG 3.41Å; I90-K99 PolarHBondContact O-N 2.78Å; D92-K99 HydrophobicContact CB-CD 4.37Å; D92-K99 HydrophobicContact CB-CG 3.83Å; K99-Y101 VanDerWaalsContact C-N 3.27Å; K99-Y101 HydrophobicContact CB-CD1 3.87Å; K99-Y101 HydrophobicContact CB-CE1 3.53Å; K99-Y101 HydrophobicContact CD-CE1 4.2Å; K99-Y101 HydrophobicContact CG-CE1 4.5Å; K99-Y101 PolarHBondContact NZ-OH 3.29Å; K99-Y101 VanDerWaalsContact O-CD1 3.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.46Å; K99-Y101 PolarHBondContact O-N 3.04Å
100G91.6Very high91.9Very high19 Ų1965.2 Ų65.220%0.19635%0.35CS..EExtended strand (participates in β ladder)trans71.712.4-174.500000115.4R63 G64 L65 C98R63-G100 CarbonylContact C-O 3.52Å; R63-G100 WeakPolarHBondContact CA-O 3.49Å; G64-G100 PolarHBondContact N-O 2.66Å; L65-G100 PolarHBondContact N-O 3.12Å; L65-G100 WeakPolarHBondContact O-CA 3.44Å; C98-G100 PolarHBondContact O-N 2.68Å
101Y93.5Very high92Very high53 Ų5364.3 Ų64.321%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-147.8158.8174.868-88.3000113.7Y61 I62 I90 K99 F103Y61-Y101 HydrophobicContact CD2-CD2 4.42Å; Y61-Y101 AromaticContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CE2 4.36Å; Y61-Y101 AromaticContact CE2-CG 3.89Å; Y61-Y101 HydrophobicContact CE2-CG 3.89Å; I62-Y101 CarbonylContact O-C 3.59Å; I62-Y101 WeakPolarHBondContact O-CA 3.37Å; I62-Y101 WeakPolarHBondContact O-CB 3.14Å; I90-Y101 HydrophobicContact CB-CD2 3.98Å; I90-Y101 HydrophobicContact CB-CE2 3.66Å; I90-Y101 HydrophobicContact CG1-CD2 3.79Å; I90-Y101 HydrophobicContact CG1-CE2 3.52Å; I90-Y101 HydrophobicContact CG2-CE2 3.93Å; I90-Y101 PolarHBondContact N-O 3.39Å; K99-Y101 VanDerWaalsContact C-N 3.27Å; K99-Y101 HydrophobicContact CB-CD1 3.87Å; K99-Y101 HydrophobicContact CB-CE1 3.53Å; K99-Y101 HydrophobicContact CD-CE1 4.2Å; K99-Y101 HydrophobicContact CG-CE1 4.5Å; K99-Y101 PolarHBondContact NZ-OH 3.29Å; K99-Y101 VanDerWaalsContact O-CD1 3.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.46Å; K99-Y101 PolarHBondContact O-N 3.04Å; Y101-F103 HydrophobicContact CD2-CE2 4.31Å; Y101-F103 HydrophobicContact CE2-CE2 4.31Å
102G93.6Very high92.2Very high0 Ų060.3 Ų60.30%033%0.326CS..EExtended strand (participates in β ladder)trans-158.1177.418000000112.5I62 K88I62-G102 PolarHBondContact N-O 2.85Å; I62-G102 PolarHBondContact O-N 3.12Å; K88-G102 CarbonylContact O-C 3.57Å; K88-G102 WeakPolarHBondContact O-CA 3.31Å
103F94.5Very high92.4Very high58 Ų5864.1 Ų64.125%0.25434%0.343SS..EExtended strand (participates in β ladder)trans-126146.2-179.2-63.3-89.7000111.5L60 Y61 T87 K88 I90 Y101 A129L60-F103 CarbonylContact O-C 3.51Å; L60-F103 WeakPolarHBondContact O-CA 3.39Å; Y61-F103 HydrophobicContact CD2-CD1 4.35Å; Y61-F103 AromaticContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE2 4.48Å; Y61-F103 AromaticContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CE2-CZ 4.36Å; Y61-F103 HydrophobicContact CG-CE1 4.41Å; T87-F103 CarbonylContact C-O 3.53Å; T87-F103 WeakPolarHBondContact CA-O 3.12Å; K88-F103 PolarHBondContact N-O 2.88Å; K88-F103 PolarHBondContact O-N 3.15Å; I90-F103 HydrophobicContact CD1-CD2 3.96Å; I90-F103 HydrophobicContact CD1-CE2 4.03Å; I90-F103 HydrophobicContact CG1-CD2 3.94Å; I90-F103 HydrophobicContact CG1-CE2 3.79Å; Y101-F103 HydrophobicContact CD2-CE2 4.31Å; Y101-F103 HydrophobicContact CE2-CE2 4.31Å; F103-A129 HydrophobicContact CD1-CB 3.99Å; F103-A129 HydrophobicContact CE1-CB 4.08Å
104V94.4Very high92.7Very high0 Ų060.7 Ų60.70%033%0.328CS..EExtended strand (participates in β ladder)trans-140.6118.7177.2179.50000109.6N59 L60 I62 L74 C78 I84 S86 T87 F106N59-V104 CarbonylContact C-O 3.55Å; N59-V104 WeakPolarHBondContact CA-O 3.21Å; L60-V104 PolarHBondContact N-O 2.81Å; L60-V104 PolarHBondContact O-N 3.13Å; I62-V104 HydrophobicContact CD1-CB 4.41Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; L74-V104 HydrophobicContact CB-CG2 4.04Å; L74-V104 HydrophobicContact CD1-CG2 4.39Å; L74-V104 HydrophobicContact CD2-CG2 4.32Å; L74-V104 HydrophobicContact CG-CG2 4.5Å; C78-V104 HydrophobicContact CB-CG1 3.88Å; I84-V104 HydrophobicContact CD1-CG1 4.22Å; I84-V104 HydrophobicContact CG1-CG1 4.21Å; I84-V104 HydrophobicContact CG2-CG1 4.07Å; S86-V104 WeakPolarHBondContact O-CA 3.38Å; T87-V104 HydrophobicContact CG2-CG1 4.17Å; T87-V104 HydrophobicContact CG2-CG2 4.04Å; V104-F106 HydrophobicContact CB-CE2 4.47Å; V104-F106 HydrophobicContact CG1-CD2 4.15Å; V104-F106 HydrophobicContact CG1-CE2 3.66Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å
105D92.8Very high92.9Very high40 Ų4055.1 Ų55.121%0.21429%0.293CS..EExtended strand (participates in β ladder)trans-105.3129.8-179.8-166.831000110.8T58 N59 I84 V85 S86T58-D105 VanDerWaalsContact C-OD1 3.26Å; T58-D105 WeakPolarHBondContact CB-OD1 3.3Å; T58-D105 PolarHBondContact OG1-OD1 3.09Å; N59-D105 HydrophobicContact CB-CB 4.22Å; N59-D105 WeakPolarHBondContact CB-OD1 3.46Å; N59-D105 PolarHBondContact N-OD1 3.46Å; I84-D105 WeakPolarHBondContact CG2-O 3Å; V85-D105 PolarHBondContact N-O 2.93Å; S86-D105 PolarHBondContact N-O 2.77Å; S86-D105 PolarHBondContact O-N 2.99Å
106F94.3Very high93.1Very high3 Ų351.8 Ų51.81%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-104.8152.7-176.2-76.4-93.9000112.8T58 L60 C78 K83 I84 V104 S108 A111 A112 A115T58-F106 VanDerWaalsContact CB-O 3.3Å; T58-F106 WeakPolarHBondContact CB-O 3.42Å; T58-F106 WeakPolarHBondContact CG2-O 3.28Å; T58-F106 PolarHBondContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 4.32Å; L60-F106 HydrophobicContact CD1-CE2 3.67Å; L60-F106 HydrophobicContact CG-CD2 4.22Å; L60-F106 HydrophobicContact CG-CE2 4.02Å; C78-F106 HydrophobicContact CB-CE2 4.5Å; C78-F106 HydrophobicContact CB-CZ 3.81Å; K83-F106 WeakPolarHBondContact O-CD1 3.36Å; I84-F106 HydrophobicContact CG1-CD1 4.29Å; I84-F106 HydrophobicContact CG1-CE1 3.99Å; I84-F106 HydrophobicContact CG1-CZ 4.41Å; V104-F106 HydrophobicContact CB-CE2 4.47Å; V104-F106 HydrophobicContact CG1-CD2 4.15Å; V104-F106 HydrophobicContact CG1-CE2 3.66Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å; F106-S108 PolarHBondContact O-N 3.36Å; F106-A111 HydrophobicContact CB-CB 4.32Å; F106-A111 HydrophobicContact CD1-CB 3.81Å; F106-A111 HydrophobicContact CE1-CB 4.47Å; F106-A111 HydrophobicContact CG-CB 4.3Å; F106-A112 HydrophobicContact CB-CB 4.14Å; F106-A112 HydrophobicContact CD2-CB 4Å; F106-A112 HydrophobicContact CG-CB 4.31Å; F106-A115 HydrophobicContact CE1-CB 4.35Å; F106-A115 HydrophobicContact CE2-CB 3.77Å; F106-A115 HydrophobicContact CZ-CB 3.5Å
107D93.1Very high93.4Very high89 Ų8950.6 Ų50.648%0.47627%0.27SS..SBendtrans-69.4-13.3178.3-157.768.2000113.2K83 V85K83-D107 HydrophobicContact CB-CB 3.94Å; K83-D107 HydrophobicContact CD-CB 3.89Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-OD1 3.23Å; K83-D107 WeakPolarHBondContact CE-OD1 3.4Å; K83-D107 WeakPolarHBondContact CE-OD2 3.43Å; K83-D107 HydrophobicContact CG-CB 3.88Å; K83-D107 IonicContact NZ-OD1 2.65Å; K83-D107 PolarHBondContact NZ-OD1 2.8Å; K83-D107 IonicContact NZ-OD2 2.63Å; K83-D107 PolarHBondContact NZ-OD2 2.72Å; K83-D107 WeakPolarHBondContact O-CB 3.03Å; K83-D107 PolarHBondContact O-N 2.9Å; V85-D107 HydrophobicContact CG2-CB 3.93Å
108S93.8Very high93.6Very high49 Ų4945.7 Ų45.734%0.34325%0.254SS..SBendtrans-146.2137.6-179.8171.90000111.3F106 A110 A111 A112F106-S108 PolarHBondContact O-N 3.36Å; S108-A110 PolarHBondContact O-N 3.03Å; S108-A110 PolarHBondContact OG-N 2.97Å; S108-A111 WeakPolarHBondContact O-CB 3.26Å; S108-A111 PolarHBondContact O-N 3.28Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A112 PolarHBondContact O-N 3.33Å
109P93.1Very high93.7Very high64 Ų6445 Ų4542%0.41625%0.25SC..Hα-helixtrans-64.2-28.8178.127.3-35.6000112.8K57 T58 A111 A112 Q113K57-P109 HydrophobicContact CB-CB 4.26Å; K57-P109 VanDerWaalsContact O-CA 3.29Å; K57-P109 WeakPolarHBondContact O-CA 3.35Å; K57-P109 WeakPolarHBondContact O-CB 3.24Å; T58-P109 HydrophobicContact CG2-CB 4.41Å; P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A112 PolarHBondContact O-N 3.24Å; P109-Q113 WeakPolarHBondContact O-CG 3.41Å; P109-Q113 PolarHBondContact O-N 2.85Å
110A94.8Very high93.7Very high63 Ų6345.8 Ų45.852%0.52125%0.253SS..Hα-helixtrans-66.9-36.1175.600000112S108 K114S108-A110 PolarHBondContact O-N 3.03Å; S108-A110 PolarHBondContact OG-N 2.97Å; A110-K114 WeakPolarHBondContact O-CB 3.39Å; A110-K114 PolarHBondContact O-N 3.45Å
111A94.8Very high93.7Very high14 Ų1449.9 Ų49.912%0.11628%0.279CS..Hα-helixtrans-68.4-41.3173.800000111.4F106 S108 P109 K114 A115F106-A111 HydrophobicContact CB-CB 4.32Å; F106-A111 HydrophobicContact CD1-CB 3.81Å; F106-A111 HydrophobicContact CE1-CB 4.47Å; F106-A111 HydrophobicContact CG-CB 4.3Å; S108-A111 WeakPolarHBondContact O-CB 3.26Å; S108-A111 PolarHBondContact O-N 3.28Å; S108-A111 VanDerWaalsContact O-N 3.14Å; P109-A111 VanDerWaalsContact C-N 3.34Å; A111-K114 PolarHBondContact O-N 3.46Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.71Å
112A94.4Very high93.5Very high0 Ų051.1 Ų51.10%030%0.295CS..Hα-helixtrans-59.7-48.4175.800000112T58 L60 F106 S108 P109 A115 V116 M128T58-A112 WeakPolarHBondContact O-CB 3.28Å; L60-A112 HydrophobicContact CD2-CB 3.9Å; F106-A112 HydrophobicContact CB-CB 4.14Å; F106-A112 HydrophobicContact CD2-CB 4Å; F106-A112 HydrophobicContact CG-CB 4.31Å; S108-A112 PolarHBondContact O-N 3.33Å; P109-A112 PolarHBondContact O-N 3.24Å; A112-A115 PolarHBondContact O-N 2.76Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 2.85Å; A112-M128 HydrophobicContact CB-CE 4Å
113Q93.8Very high93.2Very high126 Ų12654.3 Ų54.359%0.58933%0.328SS*.Hα-helixtrans-62.5-44.1176.6-72.7-179.9-20.400112.5P109 A115 V116 T117P109-Q113 WeakPolarHBondContact O-CG 3.41Å; P109-Q113 PolarHBondContact O-N 2.85Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.44Å; Q113-V116 PolarHBondContact O-N 3.31Å; Q113-T117 PolarHBondContact O-N 2.95Å; Q113-T117 VanDerWaalsContact O-N 3.15Å; Q113-T117 PolarHBondContact O-OG1 2.66Å
114K94.5Very high93Very high122 Ų12253.2 Ų53.253%0.5333%0.326SS..Hα-helixtrans-57.7-44.4174.7-177.5-174174.9-166.70111.5A110 A111 T117 A118A110-K114 WeakPolarHBondContact O-CB 3.39Å; A110-K114 PolarHBondContact O-N 3.45Å; A111-K114 PolarHBondContact O-N 3.46Å; K114-T117 PolarHBondContact O-N 2.73Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å
115A94.8Very high92.9Very high0 Ų059 Ų590%035%0.353CS..Hα-helixtrans-63.7-45.1177.600000112.2L60 Y81 F106 A111 A112 Q113 T117 A118 L119L60-A115 HydrophobicContact CD1-CB 3.78Å; Y81-A115 HydrophobicContact CD2-CB 3.73Å; Y81-A115 HydrophobicContact CG-CB 3.88Å; F106-A115 HydrophobicContact CE1-CB 4.35Å; F106-A115 HydrophobicContact CE2-CB 3.77Å; F106-A115 HydrophobicContact CZ-CB 3.5Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.71Å; A112-A115 PolarHBondContact O-N 2.76Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.44Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 2.82Å; A115-A118 PolarHBondContact O-N 2.84Å; A115-L119 HydrophobicContact CB-CD1 4.48Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 WeakPolarHBondContact O-CD1 3.36Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.16Å
116V94.6Very high93Very high13 Ų1357.2 Ų57.28%0.07934%0.344CS..Hα-helixtrans-55.9-48.6175.9170.50000111.6L60 A112 Q113 K120 M128L60-V116 HydrophobicContact CD1-CG2 3.73Å; L60-V116 HydrophobicContact CD2-CG2 3.36Å; L60-V116 HydrophobicContact CG-CG2 4.13Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 2.85Å; Q113-V116 PolarHBondContact O-N 3.31Å; V116-K120 HydrophobicContact CG1-CD 4.03Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 VanDerWaalsContact O-CG 3.27Å; V116-K120 WeakPolarHBondContact O-CG 3.27Å; V116-K120 PolarHBondContact O-N 3.08Å; V116-M128 HydrophobicContact CG2-SD 3.81Å
117T93.9Very high92.9Very high93 Ų9361.3 Ų61.357%0.57136%0.363SS*.Hα-helixtrans-63.9-48.9-178.8-58.50000111.3Q113 K114 A115 K120 S121Q113-T117 PolarHBondContact O-N 2.95Å; Q113-T117 VanDerWaalsContact O-N 3.15Å; Q113-T117 PolarHBondContact O-OG1 2.66Å; K114-T117 PolarHBondContact O-N 2.73Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 2.82Å; T117-K120 PolarHBondContact O-N 3.35Å; T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 PolarHBondContact O-OG 3Å
118A93.7Very high92.9Very high29 Ų2958.7 Ų58.724%0.2435%0.348CS..Hα-helixtrans-66-39.9-178.600000113.1Y81 K114 A115 S121 S122Y81-A118 HydrophobicContact CD1-CB 3.86Å; Y81-A118 HydrophobicContact CE1-CB 3.28Å; Y81-A118 HydrophobicContact CE2-CB 4.44Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å; A115-A118 PolarHBondContact O-N 2.84Å; A118-S121 PolarHBondContact O-N 2.77Å; A118-S122 WeakPolarHBondContact O-CB 3.23Å; A118-S122 PolarHBondContact O-N 3.16Å
119L92.5Very high92.7Very high0 Ų056.5 Ų56.50%033%0.333CS..Hα-helixtrans-66-42.2176.9-71.2170.6000111.7I62 L77 Y81 A115 S121 S122 G123 V124 A126I62-L119 HydrophobicContact CD1-CD1 3.97Å; L77-L119 HydrophobicContact CD1-CD2 3.71Å; L77-L119 HydrophobicContact CD2-CD2 4.12Å; L77-L119 HydrophobicContact CG-CD2 3.71Å; Y81-L119 HydrophobicContact CE2-CD2 3.84Å; Y81-L119 HydrophobicContact CE2-CG 3.9Å; A115-L119 HydrophobicContact CB-CD1 4.48Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 WeakPolarHBondContact O-CD1 3.36Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.16Å; L119-S121 PolarHBondContact O-N 3.19Å; L119-S122 CarbonylContact O-C 3.48Å; L119-S122 WeakPolarHBondContact O-CA 3.38Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 3.05Å; L119-G123 PolarHBondContact O-N 3.28Å; L119-V124 CarbonylContact C-O 3.54Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CB-CG1 4.43Å; L119-V124 HydrophobicContact CD2-CB 4.42Å; L119-V124 HydrophobicContact CD2-CG1 4.48Å; L119-V124 WeakPolarHBondContact O-CB 3.44Å; L119-V124 PolarHBondContact O-N 2.93Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 3.74Å; L119-A126 HydrophobicContact CG-CB 4.32Å
120K92.3Very high92.3Very high126 Ų12658.9 Ų58.955%0.54834%0.337SS..Hα-helixtrans-58.4-45.7172.1-77.2178.3178.3-1720111.8V116 T117 S122 G123 V124 A126V116-K120 HydrophobicContact CG1-CD 4.03Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 VanDerWaalsContact O-CG 3.27Å; V116-K120 WeakPolarHBondContact O-CG 3.27Å; V116-K120 PolarHBondContact O-N 3.08Å; T117-K120 PolarHBondContact O-N 3.35Å; K120-S122 PolarHBondContact O-N 3.47Å; K120-G123 PolarHBondContact O-N 3.36Å; K120-V124 WeakPolarHBondContact CA-O 3.46Å; K120-A126 WeakPolarHBondContact CE-O 3.5Å
121S91.6Very high91.4Very high105 Ų10560.9 Ų60.973%0.73434%0.335SS*.Hα-helixtrans-63.4-27.3174.6-63.60000113.2T117 A118 L119 G123T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 PolarHBondContact O-OG 3Å; A118-S121 PolarHBondContact O-N 2.77Å; L119-S121 PolarHBondContact O-N 3.19Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 2.91Å
122S88.8Confident90.2Very high80 Ų8067.2 Ų67.256%0.55936%0.362SS*.THydrogen-bonded Turntrans-83.18.3173.3-169.20000113.9A118 L119 K120 V124A118-S122 WeakPolarHBondContact O-CB 3.23Å; A118-S122 PolarHBondContact O-N 3.16Å; L119-S122 CarbonylContact O-C 3.48Å; L119-S122 WeakPolarHBondContact O-CA 3.38Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 3.05Å; K120-S122 PolarHBondContact O-N 3.47Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.17Å
123G87.9Confident88.9Confident67 Ų6773.5 Ų73.569%0.69139%0.392SS*.THydrogen-bonded Turntrans79.24-179.100000115.4L119 K120 S121L119-G123 PolarHBondContact O-N 3.28Å; K120-G123 PolarHBondContact O-N 3.36Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 2.91Å
124V90.3Very high87.4Confident34 Ų3472.6 Ų72.621%0.20639%0.388CS..  trans-88.4132.6179.51770000110.1I62 L119 K120 S122 A126I62-V124 HydrophobicContact CG2-CG1 3.47Å; I62-V124 VanDerWaalsContact CG2-CG1 3.47Å; L119-V124 CarbonylContact C-O 3.54Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CB-CG1 4.43Å; L119-V124 HydrophobicContact CD2-CB 4.42Å; L119-V124 HydrophobicContact CD2-CG1 4.48Å; L119-V124 WeakPolarHBondContact O-CB 3.44Å; L119-V124 PolarHBondContact O-N 2.93Å; K120-V124 WeakPolarHBondContact CA-O 3.46Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.17Å; V124-A126 PolarHBondContact O-N 3.23Å
125Q92Very high86.1Confident122 Ų12267.9 Ų67.957%0.5737%0.368SS*.EExtended strand (participates in β ladder)trans-78.270.3-179.6-61.3-178.4-800111.6I62 R63I62-Q125 WeakPolarHBondContact CA-O 3.26Å; R63-Q125 HydrophobicContact CB-CB 4.02Å; R63-Q125 PolarHBondContact N-O 2.84Å; R63-Q125 WeakPolarHBondContact O-CB 3.17Å
126A93.3Very high85.4Confident2 Ų272 Ų722%0.01740%0.395CS..EExtended strand (participates in β ladder)trans-93.6145173.700000112.1Y61 I62 L119 K120 V124Y61-A126 WeakPolarHBondContact O-CA 3.24Å; I62-A126 HydrophobicContact CG1-CB 4.19Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 3.74Å; L119-A126 HydrophobicContact CG-CB 4.32Å; K120-A126 WeakPolarHBondContact CE-O 3.5Å; V124-A126 PolarHBondContact O-N 3.23Å
127Q93.4Very high85.1Confident90 Ų9072.2 Ų72.242%0.42140%0.397SS..EExtended strand (participates in β ladder)trans-154.2170171.356170.181.400110L60 Y61 A129L60-Q127 CarbonylContact C-O 3.44Å; L60-Q127 VanDerWaalsContact CA-O 3.25Å; L60-Q127 WeakPolarHBondContact CA-O 3.38Å; Y61-Q127 HydrophobicContact CD1-CG 3.9Å; Y61-Q127 PolarHBondContact N-O 3.28Å; Y61-Q127 PolarHBondContact O-N 3.03Å; Q127-A129 PolarHBondContact O-N 2.97Å
128M93.2Very high85Confident34 Ų3469.4 Ų69.417%0.16738%0.378CS..EExtended strand (participates in β ladder)trans-61.2136.1166.1-54.1-49.3-61.800109.3L55 S56 K57 L60 A112 V116L55-M128 HydrophobicContact CB-CB 4.29Å; L55-M128 HydrophobicContact CD1-CB 4.41Å; S56-M128 WeakPolarHBondContact O-CE 3.47Å; K57-M128 WeakPolarHBondContact O-CE 3.31Å; L60-M128 HydrophobicContact CD2-CE 3.73Å; L60-M128 HydrophobicContact CD2-SD 3.49Å; L60-M128 WeakPolarHBondContact CD2-SD 3.18Å; A112-M128 HydrophobicContact CB-CE 4Å; V116-M128 HydrophobicContact CG2-SD 3.81Å
129A89.3Confident85Confident2 Ų268 Ų682%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-70.2145.717200000109.7S56 N59 F103 Q127 Q131S56-A129 WeakPolarHBondContact CB-O 3.48Å; S56-A129 PolarHBondContact N-O 2.79Å; S56-A129 PolarHBondContact OG-O 2.92Å; N59-A129 HydrophobicContact CB-CB 4.28Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.29Å; F103-A129 HydrophobicContact CD1-CB 3.99Å; F103-A129 HydrophobicContact CE1-CB 4.08Å; Q127-A129 PolarHBondContact O-N 2.97Å; A129-Q131 PolarHBondContact O-N 2.89Å
130K85.2Confident85.1Confident115 Ų11570.8 Ų70.850%0.538%0.377SS..EExtended strand (participates in β ladder)trans-57130.5162.2-65.3-178.4175.7-170.30107.8E53 L55 Q132E53-K130 VanDerWaalsContact CD-CE 3.49Å; E53-K130 WeakPolarHBondContact OE1-CD 3.39Å; E53-K130 VanDerWaalsContact OE1-CE 3.31Å; E53-K130 WeakPolarHBondContact OE1-CE 3.3Å; E53-K130 IonicContact OE1-NZ 2.66Å; E53-K130 PolarHBondContact OE1-NZ 2.96Å; E53-K130 WeakPolarHBondContact OE2-CE 3.36Å; E53-K130 IonicContact OE2-NZ 2.71Å; E53-K130 PolarHBondContact OE2-NZ 3.35Å; L55-K130 HydrophobicContact CD2-CG 4.1Å; K130-Q132 PolarHBondContact O-N 2.9Å
131Q76.1Confident85.1Confident104 Ų10464.8 Ų64.849%0.48635%0.351SS..  trans-68106.4174.4-172.3166.8-35.800107Q54 A129 E133Q54-Q131 HydrophobicContact CB-CB 4.5Å; Q54-Q131 HydrophobicContact CG-CB 4.26Å; Q54-Q131 WeakPolarHBondContact O-CB 3.48Å; Q54-Q131 PolarHBondContact O-N 2.89Å; A129-Q131 PolarHBondContact O-N 2.89Å; Q131-E133 PolarHBondContact O-N 3.33Å
132Q68.8Low85.2Confident147 Ų14760.1 Ų60.169%0.68732%0.318SS*.  trans-67.7107.1167.6-175.6159.123.400106.9K130 Q134K130-Q132 PolarHBondContact O-N 2.9Å; Q132-Q134 PolarHBondContact O-N 2.92Å; Q132-Q134 VanDerWaalsContact O-N 3.12Å
133E66.6Low85.3Confident132 Ų13258.3 Ų58.362%0.61730%0.303SS*.  trans-53.4117.1174.3-165.3170.2-144.900108.3Q131 D135 R183Q131-E133 PolarHBondContact O-N 3.33Å; E133-D135 PolarHBondContact O-N 2.87Å; E133-R183 IonicContact OE2-NH1 2.78Å
134Q63.8Low85.4Confident108 Ų10855.5 Ų55.551%0.50527%0.272SS..  trans-90.386.8165.4-70.7-160.8300106.3Q132 P136 G222 Q224Q132-Q134 PolarHBondContact O-N 2.92Å; Q132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-P136 WeakPolarHBondContact O-CD 3.39Å; Q134-P136 VanDerWaalsContact O-N 3.13Å; Q134-G222 PolarHBondContact NE2-O 3.31Å; Q134-Q224 VanDerWaalsContact NE2-N 3.19Å
135D67.1Low85.3Confident22 Ų2254.4 Ų54.412%0.11827%0.265CS..  trans-60.5112.6169.7-3.8-61000107.7E133 T137 N138 R183E133-D135 PolarHBondContact O-N 2.87Å; D135-T137 PolarHBondContact O-N 2.95Å; D135-N138 HydrophobicContact CB-CB 4.21Å; D135-N138 WeakPolarHBondContact O-CB 3.44Å; D135-N138 PolarHBondContact O-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.41Å; D135-R183 HydrophobicContact CB-CG 4.28Å; D135-R183 IonicContact OD1-CZ 3.89Å; D135-R183 IonicContact OD1-NE 2.73Å; D135-R183 IonicContact OD1-NH1 3.85Å; D135-R183 IonicContact OD1-NH2 3.56Å; D135-R183 PolarHBondContact OD1-NH2 2.66Å; D135-R183 IonicContact OD2-CZ 3.91Å; D135-R183 IonicContact OD2-NE 2.69Å; D135-R183 PolarHBondContact OD2-NE 3.04Å; D135-R183 IonicContact OD2-NH2 3.18Å; D135-R183 PolarHBondContact OD2-NH2 3.3Å
136P78.8Confident85Confident86 Ų8653 Ų5356%0.55827%0.265SS*.THydrogen-bonded Turntrans-69.6-12.5175.833.8-37000110.6Q134 N138 T187 F219Q134-P136 WeakPolarHBondContact O-CD 3.39Å; Q134-P136 VanDerWaalsContact O-N 3.13Å; P136-N138 VanDerWaalsContact C-N 3.3Å; P136-T187 HydrophobicContact CB-CG2 3.64Å; P136-T187 HydrophobicContact CG-CG2 3.78Å; P136-F219 VanDerWaalsContact O-CD1 3.3Å; P136-F219 WeakPolarHBondContact O-CD1 3.39Å; P136-F219 VanDerWaalsContact O-CE1 3.23Å; P136-F219 WeakPolarHBondContact O-CE1 3.27Å
137T88.9Confident84.7Confident19 Ų1955.1 Ų55.112%0.11728%0.28CS..THydrogen-bonded Turntrans-88.411177.472.50000113.7D135 R183 M184 T187 C190D135-T137 PolarHBondContact O-N 2.95Å; T137-R183 WeakPolarHBondContact O-CA 3.47Å; T137-R183 WeakPolarHBondContact OG1-CG 3.35Å; T137-M184 WeakPolarHBondContact CB-O 3.34Å; T137-M184 PolarHBondContact O-N 2.75Å; T137-M184 PolarHBondContact OG1-O 2.84Å; T137-T187 HydrophobicContact CG2-CG2 4.15Å; T137-C190 WeakPolarHBondContact CA-SG 3.47Å; T137-C190 PolarHBondContact O-SG 3.2Å
138N92.3Very high84.4Confident33 Ų3351.2 Ų51.218%0.17626%0.262CS..EExtended strand (participates in β ladder)trans-90.3127.2179.8-158.5-35.3000110.7D135 P136 A220D135-N138 HydrophobicContact CB-CB 4.21Å; D135-N138 WeakPolarHBondContact O-CB 3.44Å; D135-N138 PolarHBondContact O-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.41Å; P136-N138 VanDerWaalsContact C-N 3.3Å; N138-A220 HydrophobicContact CB-CB 4.08Å; N138-A220 WeakPolarHBondContact O-CB 3.33Å; N138-A220 PolarHBondContact O-N 2.97Å
139L93.4Very high84.3Confident0 Ų053.2 Ų53.20%027%0.273CS..EExtended strand (participates in β ladder)trans-104.3141.9179.6-70170.2000111I141 F181 A182 M184 C190 I193 I194 K218L139-I141 HydrophobicContact CB-CG1 4.35Å; L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.46Å; L139-A182 WeakPolarHBondContact CB-O 3.48Å; L139-A182 PolarHBondContact N-O 2.99Å; L139-A182 PolarHBondContact O-N 3.48Å; L139-A182 VanDerWaalsContact O-N 3.13Å; L139-M184 HydrophobicContact CD1-CG 3.89Å; L139-M184 HydrophobicContact CD1-SD 4.45Å; L139-C190 HydrophobicContact CD2-CB 3.66Å; L139-C190 HydrophobicContact CG-CB 4.1Å; L139-I193 HydrophobicContact CD1-CB 4.11Å; L139-I193 HydrophobicContact CD1-CD1 4Å; L139-I193 HydrophobicContact CD1-CG2 3.6Å; L139-I194 HydrophobicContact CD2-CD1 3.71Å; L139-I194 HydrophobicContact CD2-CG1 3.7Å; L139-K218 WeakPolarHBondContact CA-O 3.12Å
140Y93.8Very high84.5Confident58 Ų5855.7 Ų55.723%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-104.5126162.8171.6-84.2000108.1S142 V179 F181 L216 K218Y140-S142 WeakPolarHBondContact OH-CB 3.17Å; Y140-V179 HydrophobicContact CD2-CG1 4.25Å; Y140-V179 HydrophobicContact CE2-CG1 3.54Å; Y140-F181 AromaticContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE2 4.39Å; Y140-F181 AromaticContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CE2-CZ 4.33Å; Y140-L216 HydrophobicContact CE1-CD2 4.37Å; Y140-K218 HydrophobicContact CD1-CD 4.45Å; Y140-K218 HydrophobicContact CD1-CG 3.98Å; Y140-K218 PolarHBondContact N-O 3.31Å; Y140-K218 PolarHBondContact O-N 3.05Å; Y140-K218 VanDerWaalsContact O-O 3.09Å
141I93.5Very high84.9Confident0 Ų057.2 Ų57.20%029%0.293CS..EExtended strand (participates in β ladder)trans-126.2119.4-180-56.8170.7000107.1L139 L144 L153 L157 V179 G180 A182 L216L139-I141 HydrophobicContact CB-CG1 4.35Å; I141-L144 HydrophobicContact CG2-CD1 4.33Å; I141-L144 HydrophobicContact CG2-CD2 3.68Å; I141-L144 HydrophobicContact CG2-CG 4.02Å; I141-L153 HydrophobicContact CD1-CD1 3.95Å; I141-L157 HydrophobicContact CD1-CD1 3.84Å; I141-L157 HydrophobicContact CD1-CD2 4.15Å; I141-V179 CarbonylContact O-C 3.58Å; I141-V179 WeakPolarHBondContact O-CA 3.21Å; I141-G180 PolarHBondContact N-O 3.03Å; I141-G180 PolarHBondContact O-N 3.37Å; I141-G180 VanDerWaalsContact O-O 3.12Å; I141-A182 HydrophobicContact CD1-CB 4.45Å; I141-L216 CarbonylContact C-O 3.56Å; I141-L216 VanDerWaalsContact CA-O 3.31Å; I141-L216 WeakPolarHBondContact CA-O 3.42Å
142S92.6Very high85.6Confident7 Ų756.8 Ų56.85%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-122.1172.5171.675.50000113Y140 L144 G178 L216Y140-S142 WeakPolarHBondContact OH-CB 3.17Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-G178 CarbonylContact C-O 3.43Å; S142-G178 WeakPolarHBondContact CA-O 3.07Å; S142-L216 PolarHBondContact N-O 3.14Å; S142-L216 PolarHBondContact O-N 3.38Å
143N91.1Very high86.7Confident43 Ų4349.8 Ų49.823%0.2326%0.258CS..SBendtrans71.725.6-175.4-48.76.1000111.4G178 E213 P214N143-G178 PolarHBondContact N-O 2.98Å; N143-E213 HydrophobicContact CB-CB 4.36Å; N143-E213 VanDerWaalsContact ND2-CB 3.28Å; N143-E213 WeakPolarHBondContact ND2-CB 3.19Å; N143-E213 PolarHBondContact ND2-OE2 3.41Å; N143-P214 VanDerWaalsContact CB-O 3.31Å; N143-P214 WeakPolarHBondContact CB-O 3.29Å; N143-P214 PolarHBondContact ND2-O 3.33Å
144L90.4Very high88Confident8 Ų846.3 Ų46.34%0.04224%0.242CC..  trans-66.3149.5169.9-62.4172.4000110.4I141 S142 M148 L153 I168 G178 L215I141-L144 HydrophobicContact CG2-CD1 4.33Å; I141-L144 HydrophobicContact CG2-CD2 3.68Å; I141-L144 HydrophobicContact CG2-CG 4.02Å; S142-L144 VanDerWaalsContact C-N 3.26Å; L144-M148 HydrophobicContact CB-SD 4.49Å; L144-M148 HydrophobicContact CD2-SD 3.75Å; L144-L153 HydrophobicContact CD1-CD1 4.31Å; L144-L153 HydrophobicContact CD1-CD2 4.19Å; L144-L153 HydrophobicContact CD2-CD1 4.15Å; L144-I168 HydrophobicContact CD1-CD1 4.5Å; L144-G178 PolarHBondContact N-O 2.86Å; L144-G178 WeakPolarHBondContact O-CA 3.43Å; L144-L215 HydrophobicContact CD2-CD2 3.86Å
145P87.6Confident89.3Confident11 Ų1145.5 Ų45.57%0.07124%0.241CC..  trans-58.1147.8171.7-20.531.5000112.1S147 M148 I202 T204 P211P145-S147 PolarHBondContact O-N 2.97Å; P145-M148 HydrophobicContact CB-CB 4.14Å; P145-M148 HydrophobicContact CG-CB 4.27Å; P145-M148 WeakPolarHBondContact O-CB 3.44Å; P145-M148 PolarHBondContact O-N 2.98Å; P145-I202 HydrophobicContact CG-CG2 3.64Å; P145-T204 HydrophobicContact CB-CG2 4.22Å; P145-T204 HydrophobicContact CG-CG2 3.87Å; P145-P211 HydrophobicContact CB-CG 4.48Å; P145-P211 HydrophobicContact CG-CG 3.94Å
146V86.4Confident90.4Very high92 Ų9245.8 Ų45.856%0.55824%0.242SC*.THydrogen-bonded Turntrans-67.8-22.3179.5-179.80000112.4T175 S176V146-T175 HydrophobicContact CG1-CG2 3.75Å; V146-S176 WeakPolarHBondContact O-CB 3.49Å
147S85.8Confident91Very high47 Ų4741.7 Ų41.733%0.32922%0.215SC..THydrogen-bonded Turntrans-81.7-13.4171.954.70000114.5P145 D149 M208P145-S147 PolarHBondContact O-N 2.97Å; S147-D149 PolarHBondContact O-N 3.34Å; S147-M208 PolarHBondContact OG-SD 2.8Å
148M87.3Confident91.2Very high8 Ų845.3 Ų45.34%0.03923%0.23CC..  trans-75.3129.2-169.5-164.9171.4-164.900110.5L144 P145 E152 M156 I168 I202L144-M148 HydrophobicContact CB-SD 4.49Å; L144-M148 HydrophobicContact CD2-SD 3.75Å; P145-M148 HydrophobicContact CB-CB 4.14Å; P145-M148 HydrophobicContact CG-CB 4.27Å; P145-M148 WeakPolarHBondContact O-CB 3.44Å; P145-M148 PolarHBondContact O-N 2.98Å; M148-E152 WeakPolarHBondContact CA-OE2 3.15Å; M148-E152 HydrophobicContact CE-CB 3.8Å; M148-E152 HydrophobicContact CG-CB 3.92Å; M148-E152 WeakPolarHBondContact CG-OE2 3.33Å; M148-M156 HydrophobicContact CE-CB 4.4Å; M148-M156 HydrophobicContact CE-SD 4.22Å; M148-I168 WeakPolarHBondContact O-CD1 3.02Å; M148-I202 HydrophobicContact CE-CD1 3.57Å; M148-I202 HydrophobicContact SD-CD1 3.52Å; M148-I202 VanDerWaalsContact SD-CD1 3.52Å
149D91.8Very high91.1Very high75 Ų7548.6 Ų48.640%0.40126%0.255SS..  trans-108.9164.4-176.4-78.3-23.4000112.4S147 Q151 E152 L153 I168 R170S147-D149 PolarHBondContact O-N 3.34Å; D149-Q151 PolarHBondContact O-N 3.24Å; D149-Q151 VanDerWaalsContact O-N 3.12Å; D149-E152 PolarHBondContact O-N 2.84Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.07Å; D149-I168 VanDerWaalsContact C-CD1 3.49Å; D149-R170 IonicContact OD1-CZ 3.29Å; D149-R170 VanDerWaalsContact OD1-CZ 3.29Å; D149-R170 IonicContact OD1-NH1 2.96Å; D149-R170 PolarHBondContact OD1-NH1 2.99Å; D149-R170 IonicContact OD1-NH2 2.68Å; D149-R170 PolarHBondContact OD1-NH2 3.38Å
150E93.6Very high90.9Very high55 Ų5551 Ų5126%0.25727%0.266SS..Hα-helixtrans-51.9-36.2-176.5-82.181.6174.700114.2E154 T166 I168 R170E150-E154 WeakPolarHBondContact O-CB 3.48Å; E150-E154 PolarHBondContact O-N 3.19Å; E150-T166 PolarHBondContact O-OG1 2.76Å; E150-I168 HydrophobicContact CG-CG1 4.33Å; E150-I168 WeakPolarHBondContact OE1-CB 3.31Å; E150-I168 PolarHBondContact OE1-N 3.06Å; E150-R170 IonicContact OE2-CZ 2.9Å; E150-R170 IonicContact OE2-NE 2.87Å; E150-R170 IonicContact OE2-NH2 2.64Å; E150-R170 PolarHBondContact OE2-NH2 3.25Å
151Q92.9Very high90.7Very high146 Ų14648.9 Ų48.968%0.68226%0.261SS*.Hα-helixtrans-72.4-38.4178.4-65-172.725.500112.8D149 L153 E154 N155D149-Q151 PolarHBondContact O-N 3.24Å; D149-Q151 VanDerWaalsContact O-N 3.12Å; Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-E154 PolarHBondContact O-N 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 2.88Å; Q151-N155 PolarHBondContact O-N 3.15Å; Q151-N155 PolarHBondContact O-ND2 3.31Å
152E91.2Very high90.7Very high95 Ų9555.4 Ų55.444%0.44429%0.292SS..Hα-helixtrans-66.4-40.5176.1-61.4-167.6136.300110.3M148 D149 N155 M156M148-E152 WeakPolarHBondContact CA-OE2 3.15Å; M148-E152 HydrophobicContact CE-CB 3.8Å; M148-E152 HydrophobicContact CG-CB 3.92Å; M148-E152 WeakPolarHBondContact CG-OE2 3.33Å; D149-E152 PolarHBondContact O-N 2.84Å; E152-N155 PolarHBondContact O-N 2.65Å; E152-M156 WeakPolarHBondContact O-CB 3.15Å; E152-M156 PolarHBondContact O-N 3.34Å
153L92.1Very high90.8Very high0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-63-42.2174.7-177.358.7000111.3I141 L144 D149 Q151 M156 L157 T166 I168I141-L153 HydrophobicContact CD1-CD1 3.95Å; L144-L153 HydrophobicContact CD1-CD1 4.31Å; L144-L153 HydrophobicContact CD1-CD2 4.19Å; L144-L153 HydrophobicContact CD2-CD1 4.15Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.07Å; Q151-L153 VanDerWaalsContact C-N 3.32Å; L153-M156 HydrophobicContact CD1-CE 3.97Å; L153-M156 PolarHBondContact O-N 3.25Å; L153-L157 HydrophobicContact CD1-CD1 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.84Å; L153-T166 HydrophobicContact CD2-CG2 4.46Å; L153-T166 HydrophobicContact CG-CG2 4.18Å; L153-I168 HydrophobicContact CD2-CD1 4.3Å; L153-I168 HydrophobicContact CD2-CG1 4.01Å
154E93.6Very high90.9Very high60 Ų6058.5 Ų58.528%0.2831%0.307SS..Hα-helixtrans-63.5-44.4176.1-161.6-167.7133.700111.1E150 Q151 M156 L157 K158 V163 T166E150-E154 WeakPolarHBondContact O-CB 3.48Å; E150-E154 PolarHBondContact O-N 3.19Å; Q151-E154 PolarHBondContact O-N 3.25Å; E154-M156 PolarHBondContact O-N 2.79Å; E154-L157 PolarHBondContact O-N 2.89Å; E154-L157 VanDerWaalsContact O-N 3.17Å; E154-K158 VanDerWaalsContact O-CG 3.31Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 3.71Å; E154-K158 PolarHBondContact OE1-NZ 2.88Å; E154-V163 HydrophobicContact CG-CB 4Å; E154-V163 HydrophobicContact CG-CG1 4.03Å; E154-V163 HydrophobicContact CG-CG2 4.27Å; E154-T166 HydrophobicContact CB-CG2 3.78Å; E154-T166 HydrophobicContact CG-CG2 4.13Å
155N92.2Very high90.9Very high91 Ų9161 Ų6149%0.48733%0.325SS..Hα-helixtrans-67.2-33.2179.2-68.2-18.5000113.1Q151 E152 L157 K158Q151-N155 WeakPolarHBondContact O-CB 2.88Å; Q151-N155 PolarHBondContact O-N 3.15Å; Q151-N155 PolarHBondContact O-ND2 3.31Å; E152-N155 PolarHBondContact O-N 2.65Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 2.9Å; N155-K158 PolarHBondContact OD1-NZ 2.86Å
156M89.3Confident91.3Very high27 Ų2761.7 Ų61.713%0.13333%0.329CS..Hα-helixtrans-65.1-32172.2-171.9-177.978.500112.7M148 E152 L153 E154 F197 I202 L215M148-M156 HydrophobicContact CE-CB 4.4Å; M148-M156 HydrophobicContact CE-SD 4.22Å; E152-M156 WeakPolarHBondContact O-CB 3.15Å; E152-M156 PolarHBondContact O-N 3.34Å; L153-M156 HydrophobicContact CD1-CE 3.97Å; L153-M156 PolarHBondContact O-N 3.25Å; E154-M156 PolarHBondContact O-N 2.79Å; M156-F197 HydrophobicContact CE-CD1 4.32Å; M156-F197 HydrophobicContact CE-CE1 4.3Å; M156-F197 HydrophobicContact CE-CZ 4.47Å; M156-F197 HydrophobicContact CG-CE1 3.63Å; M156-F197 HydrophobicContact CG-CE2 4.35Å; M156-F197 HydrophobicContact CG-CZ 3.52Å; M156-F197 WeakPolarHBondContact O-CZ 2.91Å; M156-F197 HydrophobicContact SD-CD1 4.16Å; M156-F197 HydrophobicContact SD-CE1 3.76Å; M156-F197 HydrophobicContact SD-CZ 4.2Å; M156-I202 HydrophobicContact SD-CD1 3.77Å; M156-I202 HydrophobicContact SD-CG1 4.38Å; M156-L215 HydrophobicContact CE-CD1 4.37Å; M156-L215 HydrophobicContact SD-CD1 4.36Å
157L91.8Very high91.6Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-93.5-28.4-175.3-62177.9000113.5I141 L153 E154 N155 S159 F160 V163 A182 M184 I193 F197I141-L157 HydrophobicContact CD1-CD1 3.84Å; I141-L157 HydrophobicContact CD1-CD2 4.15Å; L153-L157 HydrophobicContact CD1-CD1 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.84Å; E154-L157 PolarHBondContact O-N 2.89Å; E154-L157 VanDerWaalsContact O-N 3.17Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 2.9Å; L157-S159 PolarHBondContact O-N 3Å; L157-F160 PolarHBondContact O-N 3.34Å; L157-V163 HydrophobicContact CB-CG2 3.76Å; L157-A182 HydrophobicContact CD1-CB 3.31Å; L157-M184 HydrophobicContact CB-SD 4.35Å; L157-I193 HydrophobicContact CB-CD1 4.42Å; L157-I193 HydrophobicContact CD2-CD1 4.04Å; L157-I193 HydrophobicContact CD2-CG1 4.18Å; L157-I193 HydrophobicContact CD2-CG2 3.57Å; L157-F197 HydrophobicContact CD2-CE2 4.35Å
158K92.2Very high92.1Very high96 Ų9663.7 Ų63.742%0.41732%0.32SS..Hα-helixtrans-51.5-28.1175.6-86.7170.5-177.2151.70114.3E154 N155 F160 G161 V163E154-K158 VanDerWaalsContact O-CG 3.31Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 3.71Å; E154-K158 PolarHBondContact OE1-NZ 2.88Å; N155-K158 PolarHBondContact OD1-NZ 2.86Å; K158-F160 PolarHBondContact O-N 3.49Å; K158-F160 VanDerWaalsContact O-N 3.16Å; K158-G161 PolarHBondContact O-N 2.9Å; K158-V163 HydrophobicContact CG-CG2 4.12Å
159S90.3Very high92.3Very high102 Ų10266.1 Ų66.171%0.71333%0.333SS*.THydrogen-bonded Turntrans-62.6-17.6177-51.90000114.2L157L157-S159 PolarHBondContact O-N 3Å
160F89.9Confident92.4Very high50 Ų5067.1 Ų67.122%0.21933%0.331CS..THydrogen-bonded Turntrans-102.6-31.7-177.4-68.6-94.9000112.5L157 K158 K189 A192 I193 H196 F197L157-F160 PolarHBondContact O-N 3.34Å; K158-F160 PolarHBondContact O-N 3.49Å; K158-F160 VanDerWaalsContact O-N 3.16Å; F160-K189 WeakPolarHBondContact O-CD 3.17Å; F160-K189 WeakPolarHBondContact O-CE 3.3Å; F160-K189 PolarHBondContact O-NZ 3.12Å; F160-A192 HydrophobicContact CD1-CB 4.18Å; F160-I193 HydrophobicContact CB-CD1 3.95Å; F160-I193 HydrophobicContact CB-CG1 3.64Å; F160-I193 HydrophobicContact CD1-CG1 4.15Å; F160-I193 HydrophobicContact CD2-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.44Å; F160-I193 HydrophobicContact CG-CG1 3.62Å; F160-H196 HydrophobicContact CE1-CB 3.65Å; F160-H196 AromaticContact CE1-CG 3.82Å; F160-H196 HydrophobicContact CZ-CB 3.68Å; F160-H196 AromaticContact CZ-CG 3.38Å; F160-H196 AromaticContact CZ-ND1 3.41Å; F160-H196 WeakPolarHBondContact CZ-ND1 3.44Å; F160-F197 AromaticContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CE2-CD2 4.3Å; F160-F197 AromaticContact CE2-CE2 3.32Å; F160-F197 HydrophobicContact CE2-CE2 3.32Å; F160-F197 AromaticContact CE2-CZ 3.81Å; F160-F197 HydrophobicContact CE2-CZ 3.81Å; F160-F197 AromaticContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CZ 4.48Å
161G90Very high92.3Very high13 Ų1368.3 Ų68.313%0.13434%0.339CS..SBendtrans173.4179.8-175.600000112.5K158 V163 E185K158-G161 PolarHBondContact O-N 2.9Å; G161-V163 PolarHBondContact O-N 3.39Å; G161-E185 WeakPolarHBondContact CA-OE1 3.31Å
162Q93.6Very high92.3Very high138 Ų13866 Ų6665%0.64535%0.345SS*.  trans-67.7124.2177.7-174.5173.86.700111.2M184 E185Q162-M184 WeakPolarHBondContact O-CE 3.49Å; Q162-E185 HydrophobicContact CB-CB 4.22Å; Q162-E185 HydrophobicContact CB-CG 4.44Å; Q162-E185 VanDerWaalsContact N-CD 3.27Å; Q162-E185 PolarHBondContact N-OE1 2.88Å; Q162-E185 PolarHBondContact O-N 3.41Å
163V94.4Very high92.2Very high17 Ų1768 Ų6810%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-86.3127171.1-169.90000108.2E154 L157 K158 G161 T166 M184E154-V163 HydrophobicContact CG-CB 4Å; E154-V163 HydrophobicContact CG-CG1 4.03Å; E154-V163 HydrophobicContact CG-CG2 4.27Å; L157-V163 HydrophobicContact CB-CG2 3.76Å; K158-V163 HydrophobicContact CG-CG2 4.12Å; G161-V163 PolarHBondContact O-N 3.39Å; V163-T166 HydrophobicContact CG1-CG2 3.78Å; V163-M184 HydrophobicContact CB-SD 4.42Å; V163-M184 HydrophobicContact CG1-SD 4.36Å; V163-M184 HydrophobicContact CG2-CE 3.9Å; V163-M184 HydrophobicContact CG2-SD 3.98Å
164I92.3Very high92Very high97 Ų9770 Ų7050%0.49738%0.38SS..EExtended strand (participates in β ladder)trans-83.9-39.3177-59.2-178.7000110.5R183 M184I164-R183 HydrophobicContact CB-CB 4.23Å; I164-R183 HydrophobicContact CB-CG 4.21Å; I164-R183 WeakPolarHBondContact CB-O 3.44Å; I164-R183 HydrophobicContact CD1-CG 4.26Å; I164-R183 PolarHBondContact N-O 3.02Å; I164-M184 VanDerWaalsContact CD1-O 3.24Å; I164-M184 WeakPolarHBondContact CD1-O 3.23Å
165S91.8Very high91.8Very high60 Ų6070.7 Ų70.742%0.4239%0.388SS..EExtended strand (participates in β ladder)trans-163.6153.7174.356.30000112.1A182 R183S165-A182 CarbonylContact O-C 3.51Å; S165-A182 VanDerWaalsContact O-CA 3.29Å; S165-A182 WeakPolarHBondContact O-CA 3.49Å; S165-R183 PolarHBondContact N-O 2.69Å; S165-R183 PolarHBondContact O-N 3.42Å
166T94.6Very high91.8Very high26 Ų2666.8 Ų66.816%0.1637%0.368CS..EExtended strand (participates in β ladder)trans-122.3157.5165.958.70000110.4E150 L153 E154 V163 F181 A182E150-T166 PolarHBondContact O-OG1 2.76Å; L153-T166 HydrophobicContact CD2-CG2 4.46Å; L153-T166 HydrophobicContact CG-CG2 4.18Å; E154-T166 HydrophobicContact CB-CG2 3.78Å; E154-T166 HydrophobicContact CG-CG2 4.13Å; V163-T166 HydrophobicContact CG1-CG2 3.78Å; T166-F181 CarbonylContact C-O 3.52Å; T166-F181 WeakPolarHBondContact CA-O 3.43Å; T166-A182 HydrophobicContact CG2-CB 4.13Å
167R93.9Very high91.8Very high175 Ų17573 Ų7366%0.6639%0.39SS*.EExtended strand (participates in β ladder)trans-157.5132.3172.5-179.4178-178.4163.55.9110.7G180 F181R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.3Å; R167-G180 WeakPolarHBondContact O-CA 3.24Å; R167-F181 PolarHBondContact N-O 3.03Å; R167-F181 PolarHBondContact O-N 3.12Å
168I94.4Very high91.8Very high6 Ų673.3 Ų73.33%0.03139%0.393CS..EExtended strand (participates in β ladder)trans-102.1141.1174.3-65.4-177.4000110.2L144 M148 D149 E150 L153 R170 S176L144-I168 HydrophobicContact CD1-CD1 4.5Å; M148-I168 WeakPolarHBondContact O-CD1 3.02Å; D149-I168 VanDerWaalsContact C-CD1 3.49Å; E150-I168 HydrophobicContact CG-CG1 4.33Å; E150-I168 WeakPolarHBondContact OE1-CB 3.31Å; E150-I168 PolarHBondContact OE1-N 3.06Å; L153-I168 HydrophobicContact CD2-CD1 4.3Å; L153-I168 HydrophobicContact CD2-CG1 4.01Å; I168-R170 HydrophobicContact CG2-CG 4.45Å; I168-R170 PolarHBondContact O-N 2.89Å; I168-S176 WeakPolarHBondContact CG2-OG 3.48Å
169L93.3Very high91.8Very high59 Ų5969.7 Ų69.731%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-84.1104.6174.4-96.359.3000108.4R177 V179 F181L169-R177 WeakPolarHBondContact O-CB 3.45Å; L169-R177 VanDerWaalsContact O-CG 3.32Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 3.15Å; L169-V179 HydrophobicContact CB-CB 4.26Å; L169-V179 HydrophobicContact CB-CG1 4.42Å; L169-V179 HydrophobicContact CD2-CG1 4.15Å; L169-V179 PolarHBondContact N-O 2.76Å; L169-F181 HydrophobicContact CD1-CD2 3.61Å; L169-F181 HydrophobicContact CD1-CE2 3.56Å; L169-F181 HydrophobicContact CD2-CE2 4Å; L169-F181 HydrophobicContact CG-CE2 4.44Å
170R93.6Very high92Very high97 Ų9764.9 Ų64.937%0.36635%0.345SS..EExtended strand (participates in β ladder)trans-93.3152170-61.2174.9-162.1-97.1-2.6109.5D149 E150 I168 G174 T175D149-R170 IonicContact OD1-CZ 3.29Å; D149-R170 VanDerWaalsContact OD1-CZ 3.29Å; D149-R170 IonicContact OD1-NH1 2.96Å; D149-R170 PolarHBondContact OD1-NH1 2.99Å; D149-R170 IonicContact OD1-NH2 2.68Å; D149-R170 PolarHBondContact OD1-NH2 3.38Å; E150-R170 IonicContact OE2-CZ 2.9Å; E150-R170 IonicContact OE2-NE 2.87Å; E150-R170 IonicContact OE2-NH2 2.64Å; E150-R170 PolarHBondContact OE2-NH2 3.25Å; I168-R170 HydrophobicContact CG2-CG 4.45Å; I168-R170 PolarHBondContact O-N 2.89Å; R170-G174 WeakPolarHBondContact CB-O 3.45Å; R170-G174 WeakPolarHBondContact CD-O 3.19Å; R170-G174 WeakPolarHBondContact CG-O 3.19Å; R170-T175 CarbonylContact C-O 3.51Å; R170-T175 VanDerWaalsContact CA-O 3.24Å; R170-T175 WeakPolarHBondContact CA-O 3.2Å
171D91.9Very high92.2Very high79 Ų7965.5 Ų65.542%0.42235%0.348SS..  trans-82.5178.2175.1-165.146.2000111.6N173 G174 T175 R177D171-N173 PolarHBondContact O-N 2.76Å; D171-N173 VanDerWaalsContact O-N 3.12Å; D171-G174 PolarHBondContact O-N 3.44Å; D171-T175 PolarHBondContact N-O 2.84Å; D171-R177 HydrophobicContact CB-CG 4.06Å
172A92.1Very high92.4Very high97 Ų9764.9 Ų64.980%0.80234%0.342SS*.THydrogen-bonded Turntrans-55.6-29.2178.100000113.2G174A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.27Å
173N89.6Confident92.4Very high138 Ų13861.7 Ų61.774%0.73832%0.324SS*.THydrogen-bonded Turntrans-84.77.4177.2-57.4-30.5000113.8D171 T175D171-N173 PolarHBondContact O-N 2.76Å; D171-N173 VanDerWaalsContact O-N 3.12Å; N173-T175 PolarHBondContact O-N 3.46Å
174G86.8Confident92.4Very high42 Ų4260.9 Ų60.943%0.43332%0.319SS..SBendtrans78.2-13.1-178.200000115.5R170 D171 A172R170-G174 WeakPolarHBondContact CB-O 3.45Å; R170-G174 WeakPolarHBondContact CD-O 3.19Å; R170-G174 WeakPolarHBondContact CG-O 3.19Å; D171-G174 PolarHBondContact O-N 3.44Å; A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.27Å
175T89.6Confident92.4Very high75 Ų7560.4 Ų60.446%0.4631%0.314SS..  trans-61133.6176.6-40.90000111.8V146 R170 D171 N173V146-T175 HydrophobicContact CG1-CG2 3.75Å; R170-T175 CarbonylContact C-O 3.51Å; R170-T175 VanDerWaalsContact CA-O 3.24Å; R170-T175 WeakPolarHBondContact CA-O 3.2Å; D171-T175 PolarHBondContact N-O 2.84Å; N173-T175 PolarHBondContact O-N 3.46Å
176S91.6Very high92.3Very high9 Ų959.1 Ų59.16%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-61.7138.7172.9-1800000111.1V146 I168 G178V146-S176 WeakPolarHBondContact O-CB 3.49Å; I168-S176 WeakPolarHBondContact CG2-OG 3.48Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 3.27Å
177R90.9Very high92.2Very high158 Ų15860.3 Ų60.360%0.59631%0.313SS*.EExtended strand (participates in β ladder)trans-92.111.2176.1-59.8177.252.41543.5113.1L169 D171 V179L169-R177 WeakPolarHBondContact O-CB 3.45Å; L169-R177 VanDerWaalsContact O-CG 3.32Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 3.15Å; D171-R177 HydrophobicContact CB-CG 4.06Å; R177-V179 PolarHBondContact O-N 3.05Å
178G90.4Very high92.1Very high6 Ų658.6 Ų58.66%0.06231%0.312CS..EExtended strand (participates in β ladder)trans64.323.4-17500000113.8S142 N143 L144 S176S142-G178 CarbonylContact C-O 3.43Å; S142-G178 WeakPolarHBondContact CA-O 3.07Å; N143-G178 PolarHBondContact N-O 2.98Å; L144-G178 PolarHBondContact N-O 2.86Å; L144-G178 WeakPolarHBondContact O-CA 3.43Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 3.27Å
179V93.3Very high92.1Very high20 Ų2061.6 Ų61.612%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-129127.2-177.8175.10000109.4Y140 I141 L169 R177 F181Y140-V179 HydrophobicContact CD2-CG1 4.25Å; Y140-V179 HydrophobicContact CE2-CG1 3.54Å; I141-V179 CarbonylContact O-C 3.58Å; I141-V179 WeakPolarHBondContact O-CA 3.21Å; L169-V179 HydrophobicContact CB-CB 4.26Å; L169-V179 HydrophobicContact CB-CG1 4.42Å; L169-V179 HydrophobicContact CD2-CG1 4.15Å; L169-V179 PolarHBondContact N-O 2.76Å; R177-V179 PolarHBondContact O-N 3.05Å; V179-F181 HydrophobicContact CG1-CE2 4.4Å
180G93.8Very high92Very high0 Ų058.8 Ų58.80%031%0.31CS..EExtended strand (participates in β ladder)trans-126.5158.5175.300000112.5I141 R167I141-G180 PolarHBondContact N-O 3.03Å; I141-G180 PolarHBondContact O-N 3.37Å; I141-G180 VanDerWaalsContact O-O 3.12Å; R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.3Å; R167-G180 WeakPolarHBondContact O-CA 3.24Å
181F94.6Very high92Very high63 Ų6359.4 Ų59.428%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-119.9145.9166.3-68.9-93.6000109L139 Y140 T166 R167 L169 V179 A220L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.46Å; Y140-F181 AromaticContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE2 4.39Å; Y140-F181 AromaticContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CE2-CZ 4.33Å; T166-F181 CarbonylContact C-O 3.52Å; T166-F181 WeakPolarHBondContact CA-O 3.43Å; R167-F181 PolarHBondContact N-O 3.03Å; R167-F181 PolarHBondContact O-N 3.12Å; L169-F181 HydrophobicContact CD1-CD2 3.61Å; L169-F181 HydrophobicContact CD1-CE2 3.56Å; L169-F181 HydrophobicContact CD2-CE2 4Å; L169-F181 HydrophobicContact CG-CE2 4.44Å; V179-F181 HydrophobicContact CG1-CE2 4.4Å; F181-A220 HydrophobicContact CD1-CB 3.97Å; F181-A220 HydrophobicContact CE1-CB 3.99Å
182A94.4Very high92.1Very high1 Ų157.4 Ų57.41%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-143.6130175.600000110.8L139 I141 L157 S165 T166L139-A182 WeakPolarHBondContact CB-O 3.48Å; L139-A182 PolarHBondContact N-O 2.99Å; L139-A182 PolarHBondContact O-N 3.48Å; L139-A182 VanDerWaalsContact O-N 3.13Å; I141-A182 HydrophobicContact CD1-CB 4.45Å; L157-A182 HydrophobicContact CD1-CB 3.31Å; S165-A182 CarbonylContact O-C 3.51Å; S165-A182 VanDerWaalsContact O-CA 3.29Å; S165-A182 WeakPolarHBondContact O-CA 3.49Å; T166-A182 HydrophobicContact CG2-CB 4.13Å
183R92.9Very high92.2Very high71 Ų7152.8 Ų52.827%0.26827%0.274SS..EExtended strand (participates in β ladder)trans-98.9126.1174.5-169.9-168.8-73.3-171.5-5.9109E133 D135 T137 I164 S165E133-R183 IonicContact OE2-NH1 2.78Å; D135-R183 HydrophobicContact CB-CG 4.28Å; D135-R183 IonicContact OD1-CZ 3.89Å; D135-R183 IonicContact OD1-NE 2.73Å; D135-R183 IonicContact OD1-NH1 3.85Å; D135-R183 IonicContact OD1-NH2 3.56Å; D135-R183 PolarHBondContact OD1-NH2 2.66Å; D135-R183 IonicContact OD2-CZ 3.91Å; D135-R183 IonicContact OD2-NE 2.69Å; D135-R183 PolarHBondContact OD2-NE 3.04Å; D135-R183 IonicContact OD2-NH2 3.18Å; D135-R183 PolarHBondContact OD2-NH2 3.3Å; T137-R183 WeakPolarHBondContact O-CA 3.47Å; T137-R183 WeakPolarHBondContact OG1-CG 3.35Å; I164-R183 HydrophobicContact CB-CB 4.23Å; I164-R183 HydrophobicContact CB-CG 4.21Å; I164-R183 WeakPolarHBondContact CB-O 3.44Å; I164-R183 HydrophobicContact CD1-CG 4.26Å; I164-R183 PolarHBondContact N-O 3.02Å; S165-R183 PolarHBondContact N-O 2.69Å; S165-R183 PolarHBondContact O-N 3.42Å
184M94.1Very high92.3Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-100.7168178-57.3-56.1-57.600112.1T137 L139 L157 Q162 V163 I164 K189 I193T137-M184 WeakPolarHBondContact CB-O 3.34Å; T137-M184 PolarHBondContact O-N 2.75Å; T137-M184 PolarHBondContact OG1-O 2.84Å; L139-M184 HydrophobicContact CD1-CG 3.89Å; L139-M184 HydrophobicContact CD1-SD 4.45Å; L157-M184 HydrophobicContact CB-SD 4.35Å; Q162-M184 WeakPolarHBondContact O-CE 3.49Å; V163-M184 HydrophobicContact CB-SD 4.42Å; V163-M184 HydrophobicContact CG1-SD 4.36Å; V163-M184 HydrophobicContact CG2-CE 3.9Å; V163-M184 HydrophobicContact CG2-SD 3.98Å; I164-M184 VanDerWaalsContact CD1-O 3.24Å; I164-M184 WeakPolarHBondContact CD1-O 3.23Å; M184-K189 HydrophobicContact CB-CB 4.28Å; M184-K189 HydrophobicContact CE-CB 4.47Å; M184-I193 HydrophobicContact CE-CD1 3.56Å; M184-I193 HydrophobicContact CG-CD1 3.84Å; M184-I193 HydrophobicContact SD-CD1 3.58Å; M184-I193 VanDerWaalsContact SD-CD1 3.58Å
185E92.1Very high92.6Very high87 Ų8754 Ų5441%0.40726%0.264SS..SBendtrans-62.4-34.2172.865.9-169.9150.400115G161 Q162 K189G161-E185 WeakPolarHBondContact CA-OE1 3.31Å; Q162-E185 HydrophobicContact CB-CB 4.22Å; Q162-E185 HydrophobicContact CB-CG 4.44Å; Q162-E185 VanDerWaalsContact N-CD 3.27Å; Q162-E185 PolarHBondContact N-OE1 2.88Å; Q162-E185 PolarHBondContact O-N 3.41Å; E185-K189 HydrophobicContact CG-CG 3.83Å; E185-K189 WeakPolarHBondContact OE1-CE 3.45Å; E185-K189 IonicContact OE1-NZ 3.92Å
186S90.6Very high92.6Very high32 Ų3254.1 Ų54.122%0.22426%0.259CS..  trans-148.3153.2-173.6166.90000111.4E188 K189 C190S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 2.73Å; S186-E188 PolarHBondContact OG-N 2.78Å; S186-E188 PolarHBondContact OG-OE2 3.42Å; S186-K189 WeakPolarHBondContact O-CB 3.3Å; S186-K189 PolarHBondContact O-N 3.16Å; S186-C190 PolarHBondContact O-N 2.93Å
187T91.3Very high92.6Very high52 Ų5255 Ų5532%0.31926%0.262SS..Hα-helixtrans-62.4-36175.645.40000111.9P136 T137 K189 C190 E191P136-T187 HydrophobicContact CB-CG2 3.64Å; P136-T187 HydrophobicContact CG-CG2 3.78Å; T137-T187 HydrophobicContact CG2-CG2 4.15Å; T187-K189 PolarHBondContact O-N 2.93Å; T187-C190 WeakPolarHBondContact O-CA 3.47Å; T187-C190 VanDerWaalsContact O-CB 3.25Å; T187-C190 WeakPolarHBondContact O-CB 3.45Å; T187-C190 PolarHBondContact O-N 2.93Å; T187-E191 PolarHBondContact O-N 2.84Å
188E93.2Very high92.6Very high138 Ų13851 Ų5165%0.64525%0.253SS*.Hα-helixtrans-60.6-35.8177.7-58.7164.7161.100111.2S186 E191 A192S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 2.73Å; S186-E188 PolarHBondContact OG-N 2.78Å; S186-E188 PolarHBondContact OG-OE2 3.42Å; E188-E191 PolarHBondContact O-N 3.11Å; E188-A192 PolarHBondContact O-N 2.67Å
189K93.9Very high92.5Very high69 Ų6953 Ų5330%0.327%0.273SS..Hα-helixtrans-69.5-38.5175.2-56.5-57.7-163.91580111.3F160 M184 E185 S186 T187 A192 I193F160-K189 WeakPolarHBondContact O-CD 3.17Å; F160-K189 WeakPolarHBondContact O-CE 3.3Å; F160-K189 PolarHBondContact O-NZ 3.12Å; M184-K189 HydrophobicContact CB-CB 4.28Å; M184-K189 HydrophobicContact CE-CB 4.47Å; E185-K189 HydrophobicContact CG-CG 3.83Å; E185-K189 WeakPolarHBondContact OE1-CE 3.45Å; E185-K189 IonicContact OE1-NZ 3.92Å; S186-K189 WeakPolarHBondContact O-CB 3.3Å; S186-K189 PolarHBondContact O-N 3.16Å; T187-K189 PolarHBondContact O-N 2.93Å; K189-A192 PolarHBondContact O-N 2.87Å; K189-I193 WeakPolarHBondContact O-CB 3.21Å; K189-I193 WeakPolarHBondContact O-CD1 3.35Å; K189-I193 VanDerWaalsContact O-CG1 3.28Å; K189-I193 WeakPolarHBondContact O-CG1 3.49Å; K189-I193 PolarHBondContact O-N 3.39Å
190C92.1Very high92.2Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-60.6-45.2172.4-61.60000111.4T137 L139 S186 T187 I193 I194 F219T137-C190 WeakPolarHBondContact CA-SG 3.47Å; T137-C190 PolarHBondContact O-SG 3.2Å; L139-C190 HydrophobicContact CD2-CB 3.66Å; L139-C190 HydrophobicContact CG-CB 4.1Å; S186-C190 PolarHBondContact O-N 2.93Å; T187-C190 WeakPolarHBondContact O-CA 3.47Å; T187-C190 VanDerWaalsContact O-CB 3.25Å; T187-C190 WeakPolarHBondContact O-CB 3.45Å; T187-C190 PolarHBondContact O-N 2.93Å; C190-I193 PolarHBondContact O-N 3.39Å; C190-I194 WeakPolarHBondContact O-CB 3.25Å; C190-I194 WeakPolarHBondContact O-CD1 3.14Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.81Å; C190-F219 HydrophobicContact CB-CD1 4.15Å; C190-F219 HydrophobicContact CB-CE1 3.47Å; C190-F219 VanDerWaalsContact CB-CE1 3.47Å; C190-F219 HydrophobicContact CB-CZ 3.97Å
191E93Very high91.7Very high111 Ų11162.8 Ų62.852%0.51931%0.314SS..Hα-helixtrans-61.8-45.4177.6-66.5-179.7176.200111.8T187 E188 I193 I194 Q195 F219T187-E191 PolarHBondContact O-N 2.84Å; E188-E191 PolarHBondContact O-N 3.11Å; E191-I193 PolarHBondContact O-N 3.02Å; E191-I194 PolarHBondContact O-N 3.34Å; E191-Q195 WeakPolarHBondContact O-CB 3.45Å; E191-Q195 PolarHBondContact O-N 2.77Å; E191-F219 HydrophobicContact CG-CE2 3.93Å; E191-F219 HydrophobicContact CG-CZ 3.64Å
192A94.1Very high90.9Very high37 Ų3761.4 Ų61.431%0.30631%0.309SS..Hα-helixtrans-61.6-41.3175.500000112.7F160 E188 K189 H196F160-A192 HydrophobicContact CD1-CB 4.18Å; E188-A192 PolarHBondContact O-N 2.67Å; K189-A192 PolarHBondContact O-N 2.87Å; A192-H196 WeakPolarHBondContact O-CB 3.16Å; A192-H196 PolarHBondContact O-N 2.88Å
193I93.2Very high89.6Confident0 Ų071 Ų710%035%0.351CS..Hα-helixtrans-65-43.4175.3-75.5161.1000111.3L139 L157 F160 M184 K189 C190 E191 H196 F197L139-I193 HydrophobicContact CD1-CB 4.11Å; L139-I193 HydrophobicContact CD1-CD1 4Å; L139-I193 HydrophobicContact CD1-CG2 3.6Å; L157-I193 HydrophobicContact CB-CD1 4.42Å; L157-I193 HydrophobicContact CD2-CD1 4.04Å; L157-I193 HydrophobicContact CD2-CG1 4.18Å; L157-I193 HydrophobicContact CD2-CG2 3.57Å; F160-I193 HydrophobicContact CB-CD1 3.95Å; F160-I193 HydrophobicContact CB-CG1 3.64Å; F160-I193 HydrophobicContact CD1-CG1 4.15Å; F160-I193 HydrophobicContact CD2-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.44Å; F160-I193 HydrophobicContact CG-CG1 3.62Å; M184-I193 HydrophobicContact CE-CD1 3.56Å; M184-I193 HydrophobicContact CG-CD1 3.84Å; M184-I193 HydrophobicContact SD-CD1 3.58Å; M184-I193 VanDerWaalsContact SD-CD1 3.58Å; K189-I193 WeakPolarHBondContact O-CB 3.21Å; K189-I193 WeakPolarHBondContact O-CD1 3.35Å; K189-I193 VanDerWaalsContact O-CG1 3.28Å; K189-I193 WeakPolarHBondContact O-CG1 3.49Å; K189-I193 PolarHBondContact O-N 3.39Å; C190-I193 PolarHBondContact O-N 3.39Å; E191-I193 PolarHBondContact O-N 3.02Å; I193-H196 PolarHBondContact O-N 3.45Å; I193-F197 HydrophobicContact CG2-CD2 4.09Å; I193-F197 WeakPolarHBondContact O-CB 3.46Å; I193-F197 PolarHBondContact O-N 3.29Å
194I93Very high88.2Confident32 Ų3269.2 Ų69.216%0.16435%0.348CS..Hα-helixtrans-60.8-53.5176.6-71.1162.8000109.5L139 C190 E191 H196 N198 C217 F219L139-I194 HydrophobicContact CD2-CD1 3.71Å; L139-I194 HydrophobicContact CD2-CG1 3.7Å; C190-I194 WeakPolarHBondContact O-CB 3.25Å; C190-I194 WeakPolarHBondContact O-CD1 3.14Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.81Å; E191-I194 PolarHBondContact O-N 3.34Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 3.05Å; I194-N198 HydrophobicContact CG2-CB 4.5Å; I194-N198 WeakPolarHBondContact O-CB 3.11Å; I194-N198 PolarHBondContact O-N 3.02Å; I194-C217 HydrophobicContact CG1-CB 4.45Å; I194-F219 HydrophobicContact CD1-CD1 4.49Å; I194-F219 HydrophobicContact CD1-CD2 3.63Å; I194-F219 HydrophobicContact CD1-CE2 3.79Å; I194-F219 HydrophobicContact CD1-CG 4.03Å; I194-F219 HydrophobicContact CD1-CZ 4.31Å
195Q92.8Very high86.6Confident173 Ų17372.6 Ų72.681%0.80837%0.37SS*.Hα-helixtrans-61.5-33.9179.5-168.7-178.321.500112.3E191E191-Q195 WeakPolarHBondContact O-CB 3.45Å; E191-Q195 PolarHBondContact O-N 2.77Å
196H90.3Very high84.7Confident78 Ų7875.1 Ų75.136%0.36139%0.394SS..Hα-helixtrans-80.7-41.1-179.3-174.3-93.7000114.1F160 A192 I193 I194 K200F160-H196 HydrophobicContact CE1-CB 3.65Å; F160-H196 AromaticContact CE1-CG 3.82Å; F160-H196 HydrophobicContact CZ-CB 3.68Å; F160-H196 AromaticContact CZ-CG 3.38Å; F160-H196 AromaticContact CZ-ND1 3.41Å; F160-H196 WeakPolarHBondContact CZ-ND1 3.44Å; A192-H196 WeakPolarHBondContact O-CB 3.16Å; A192-H196 PolarHBondContact O-N 2.88Å; I193-H196 PolarHBondContact O-N 3.45Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 3.05Å; H196-K200 PolarHBondContact CD2-NZ 3.4Å; H196-K200 PolarHBondContact NE2-NZ 3.04Å; H196-K200 WeakPolarHBondContact O-CD 3.45Å; H196-K200 WeakPolarHBondContact O-CE 3.35Å; H196-K200 PolarHBondContact O-NZ 2.9Å
197F90.5Very high83.1Confident27 Ų2777.9 Ų77.912%0.11843%0.427CS..Hα-helixtrans-103.3-24.8-171.8-72.5-77.7000114.8M156 L157 F160 I193 G199 K200 L215 C217M156-F197 HydrophobicContact CE-CD1 4.32Å; M156-F197 HydrophobicContact CE-CE1 4.3Å; M156-F197 HydrophobicContact CE-CZ 4.47Å; M156-F197 HydrophobicContact CG-CE1 3.63Å; M156-F197 HydrophobicContact CG-CE2 4.35Å; M156-F197 HydrophobicContact CG-CZ 3.52Å; M156-F197 WeakPolarHBondContact O-CZ 2.91Å; M156-F197 HydrophobicContact SD-CD1 4.16Å; M156-F197 HydrophobicContact SD-CE1 3.76Å; M156-F197 HydrophobicContact SD-CZ 4.2Å; L157-F197 HydrophobicContact CD2-CE2 4.35Å; F160-F197 AromaticContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CE2-CD2 4.3Å; F160-F197 AromaticContact CE2-CE2 3.32Å; F160-F197 HydrophobicContact CE2-CE2 3.32Å; F160-F197 AromaticContact CE2-CZ 3.81Å; F160-F197 HydrophobicContact CE2-CZ 3.81Å; F160-F197 AromaticContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CZ 4.48Å; I193-F197 HydrophobicContact CG2-CD2 4.09Å; I193-F197 WeakPolarHBondContact O-CB 3.46Å; I193-F197 PolarHBondContact O-N 3.29Å; F197-G199 PolarHBondContact O-N 3.34Å; F197-K200 PolarHBondContact O-N 2.85Å; F197-L215 HydrophobicContact CB-CD1 4.43Å; F197-L215 HydrophobicContact CD1-CD1 4.2Å; F197-C217 HydrophobicContact CB-CB 4.48Å; F197-C217 VanDerWaalsContact CB-SG 3.58Å
198N91.9Very high81.8Confident75 Ų7579.5 Ų79.540%0.40143%0.432SS..THydrogen-bonded Turntrans-62.6127.1-179.6-171.255.2000110.8I194 K200 L216 C217I194-N198 HydrophobicContact CG2-CB 4.5Å; I194-N198 WeakPolarHBondContact O-CB 3.11Å; I194-N198 PolarHBondContact O-N 3.02Å; N198-K200 VanDerWaalsContact C-N 3.33Å; N198-L216 WeakPolarHBondContact OD1-CA 3.31Å; N198-L216 WeakPolarHBondContact OD1-CD1 3.49Å; N198-C217 HydrophobicContact CB-CB 4.06Å; N198-C217 PolarHBondContact OD1-N 3.43Å; N198-C217 PolarHBondContact OD1-O 2.94Å
199G88Confident80.2Confident47 Ų4780.6 Ų80.649%0.48544%0.441SS..THydrogen-bonded Turntrans80.43.6-176.300000115.2F197 P214 L215F197-G199 PolarHBondContact O-N 3.34Å; G199-P214 WeakPolarHBondContact O-CB 3.47Å; G199-L215 PolarHBondContact N-O 3.07Å
200K86.4Confident78.6Confident94 Ų9480.5 Ų80.541%0.40945%0.453SS..PPolyproline II helixtrans-99.5145.6174-66.9-168.2-173.9151.90112.3H196 F197 N198 L215H196-K200 PolarHBondContact CD2-NZ 3.4Å; H196-K200 PolarHBondContact NE2-NZ 3.04Å; H196-K200 WeakPolarHBondContact O-CD 3.45Å; H196-K200 WeakPolarHBondContact O-CE 3.35Å; H196-K200 PolarHBondContact O-NZ 2.9Å; F197-K200 PolarHBondContact O-N 2.85Å; N198-K200 VanDerWaalsContact C-N 3.33Å; K200-L215 WeakPolarHBondContact O-CB 3.33Å; K200-L215 WeakPolarHBondContact O-CG 3.35Å; K200-L215 PolarHBondContact O-N 2.91Å
201F82.4Confident77.3Confident132 Ų13281.7 Ų81.758%0.57946%0.461SS*.PPolyproline II helixtrans-79.5137.3168-64.7-90.9000110.2P211 P214F201-P211 WeakPolarHBondContact CD1-O 3.45Å; F201-P214 HydrophobicContact CD2-CB 4.3Å; F201-P214 HydrophobicContact CE1-CB 4.33Å; F201-P214 HydrophobicContact CE2-CB 4.09Å; F201-P214 HydrophobicContact CZ-CB 4.11Å; F201-P214 HydrophobicContact CZ-CG 4.36Å
202I79Confident76.1Confident33 Ų3383.2 Ų83.217%0.16948%0.478CS..PPolyproline II helixtrans-77.6147.4172.3-163170.9000110.3P145 M148 M156 T204 P211 L215P145-I202 HydrophobicContact CG-CG2 3.64Å; M148-I202 HydrophobicContact CE-CD1 3.57Å; M148-I202 HydrophobicContact SD-CD1 3.52Å; M148-I202 VanDerWaalsContact SD-CD1 3.52Å; M156-I202 HydrophobicContact SD-CD1 3.77Å; M156-I202 HydrophobicContact SD-CG1 4.38Å; I202-T204 PolarHBondContact O-N 3.48Å; I202-P211 HydrophobicContact CG2-CG 3.95Å; I202-L215 HydrophobicContact CB-CD1 4.19Å; I202-L215 HydrophobicContact CB-CG 4.42Å
203K65.9Low75.5Confident204 Ų20487.2 Ų87.289%0.88749%0.49SS*.  trans-80.4103.9170.9-64.4-176.5178.6-177.50108.9
204T63.5Low75.3Confident33 Ų3389.4 Ų89.420%0.20250%0.504CS..PPolyproline II helixtrans-71.7156167.942.30000111.2P145 I202P145-T204 HydrophobicContact CB-CG2 4.22Å; P145-T204 HydrophobicContact CG-CG2 3.87Å; I202-T204 PolarHBondContact O-N 3.48Å
205P62.6Low75.2Confident71 Ų7188 Ų8846%0.46150%0.498SS..PPolyproline II helixtrans-58.8149.3169.4-23.834.8000112G207 M208P205-G207 PolarHBondContact O-N 3.44Å; P205-M208 PolarHBondContact O-N 3.34Å
206P50.9Low75.2Confident140 Ų14083.2 Ų83.291%0.90948%0.477SS*.THydrogen-bonded Turntrans-55.5129.6175.5-24.334.3000111.7
207G57.8Low75.3Confident89 Ų8979.6 Ų79.692%0.91846%0.46SS*.THydrogen-bonded Turntrans97.7-7.9-177.900000115.4P205P205-G207 PolarHBondContact O-N 3.44Å
208M64.3Low75.4Confident87 Ų8781.8 Ų81.843%0.42947%0.47SS..SBendtrans-95142.5173.1-74.7-142.76800113.1S147 P205 A210S147-M208 PolarHBondContact OG-SD 2.8Å; P205-M208 PolarHBondContact O-N 3.34Å; M208-A210 PolarHBondContact O-N 3.16Å; M208-A210 VanDerWaalsContact O-N 3.13Å
209L59.3Low75.4Confident161 Ų16181.8 Ų81.884%0.84347%0.466SS*.  trans-56.6115.7170.4-65.3175.8000109.8
210A59.4Low75.4Confident66 Ų6680.4 Ų80.455%0.54545%0.45SS..  trans-65.5141174.700000110.2M208 T212M208-A210 PolarHBondContact O-N 3.16Å; M208-A210 VanDerWaalsContact O-N 3.13Å; A210-T212 PolarHBondContact O-N 2.63Å
211P64.8Low74.7Confident25 Ų2581.1 Ų81.116%0.16246%0.458CS..  trans-56.4126.3174.3-27.336.4000111.6P145 F201 I202 E213P145-P211 HydrophobicContact CB-CG 4.48Å; P145-P211 HydrophobicContact CG-CG 3.94Å; F201-P211 WeakPolarHBondContact CD1-O 3.45Å; I202-P211 HydrophobicContact CG2-CG 3.95Å; P211-E213 PolarHBondContact O-N 2.65Å
212T67.6Low73.5Confident143 Ų14375.9 Ų75.988%0.87744%0.442SS*.SBendtrans-67.7-21.1-179.2-21.60000112.9A210A210-T212 PolarHBondContact O-N 2.63Å
213E82.6Confident72.4Confident121 Ų12175.7 Ų75.757%0.56545%0.448SS*.SBendtrans-113.4147.7176.1-63.6-173.1-175.700110.4N143 P211N143-E213 HydrophobicContact CB-CB 4.36Å; N143-E213 VanDerWaalsContact ND2-CB 3.28Å; N143-E213 WeakPolarHBondContact ND2-CB 3.19Å; N143-E213 PolarHBondContact ND2-OE2 3.41Å; P211-E213 PolarHBondContact O-N 2.65Å
214P88.8Confident71.5Confident46 Ų4670.1 Ų70.130%0.29943%0.425SS..  trans-67.3160.817230.2-35.3000111.5N143 G199 F201 L216N143-P214 VanDerWaalsContact CB-O 3.31Å; N143-P214 WeakPolarHBondContact CB-O 3.29Å; N143-P214 PolarHBondContact ND2-O 3.33Å; G199-P214 WeakPolarHBondContact O-CB 3.47Å; F201-P214 HydrophobicContact CD2-CB 4.3Å; F201-P214 HydrophobicContact CE1-CB 4.33Å; F201-P214 HydrophobicContact CE2-CB 4.09Å; F201-P214 HydrophobicContact CZ-CB 4.11Å; F201-P214 HydrophobicContact CZ-CG 4.36Å; P214-L216 PolarHBondContact O-N 3.18Å
215L91.3Very high70.8Confident4 Ų476.5 Ų76.52%0.02145%0.45CS..  trans-60132.4173.8-66.3178.9000111.2L144 M156 F197 G199 K200 I202L144-L215 HydrophobicContact CD2-CD2 3.86Å; M156-L215 HydrophobicContact CE-CD1 4.37Å; M156-L215 HydrophobicContact SD-CD1 4.36Å; F197-L215 HydrophobicContact CB-CD1 4.43Å; F197-L215 HydrophobicContact CD1-CD1 4.2Å; G199-L215 PolarHBondContact N-O 3.07Å; K200-L215 WeakPolarHBondContact O-CB 3.33Å; K200-L215 WeakPolarHBondContact O-CG 3.35Å; K200-L215 PolarHBondContact O-N 2.91Å; I202-L215 HydrophobicContact CB-CD1 4.19Å; I202-L215 HydrophobicContact CB-CG 4.42Å
216L91.1Very high70.1Confident72 Ų7283.1 Ų83.138%0.37747%0.472SS..EExtended strand (participates in β ladder)trans-101.2104.4168.9171.658.3000108.5Y140 I141 S142 N198 P214Y140-L216 HydrophobicContact CE1-CD2 4.37Å; I141-L216 CarbonylContact C-O 3.56Å; I141-L216 VanDerWaalsContact CA-O 3.31Å; I141-L216 WeakPolarHBondContact CA-O 3.42Å; S142-L216 PolarHBondContact N-O 3.14Å; S142-L216 PolarHBondContact O-N 3.38Å; N198-L216 WeakPolarHBondContact OD1-CA 3.31Å; N198-L216 WeakPolarHBondContact OD1-CD1 3.49Å; P214-L216 PolarHBondContact O-N 3.18Å
217C93.1Very high70.1Confident1 Ų186.8 Ų86.81%0.00747%0.468CS..EExtended strand (participates in β ladder)trans-107.4126.4174.7-66.30000109.6I194 F197 N198I194-C217 HydrophobicContact CG1-CB 4.45Å; F197-C217 HydrophobicContact CB-CB 4.48Å; F197-C217 VanDerWaalsContact CB-SG 3.58Å; N198-C217 HydrophobicContact CB-CB 4.06Å; N198-C217 PolarHBondContact OD1-N 3.43Å; N198-C217 PolarHBondContact OD1-O 2.94Å
218K92.3Very high69.2Low74 Ų7491 Ų9132%0.32246%0.463SS..EExtended strand (participates in β ladder)trans-149.3171.1172.359.2157-174166.20110.7L139 Y140 A220 D221L139-K218 WeakPolarHBondContact CA-O 3.12Å; Y140-K218 HydrophobicContact CD1-CD 4.45Å; Y140-K218 HydrophobicContact CD1-CG 3.98Å; Y140-K218 PolarHBondContact N-O 3.31Å; Y140-K218 PolarHBondContact O-N 3.05Å; Y140-K218 VanDerWaalsContact O-O 3.09Å; K218-A220 PolarHBondContact O-N 3.04Å; K218-D221 IonicContact NZ-OD2 3.22Å; K218-D221 PolarHBondContact NZ-OD2 3.48Å
219F92.4Very high68.1Low75 Ų7591.7 Ų91.733%0.32948%0.477SS..EExtended strand (participates in β ladder)trans-56.6137.5162.4-72.1-77.3000110P136 C190 E191 I194P136-F219 VanDerWaalsContact O-CD1 3.3Å; P136-F219 WeakPolarHBondContact O-CD1 3.39Å; P136-F219 VanDerWaalsContact O-CE1 3.23Å; P136-F219 WeakPolarHBondContact O-CE1 3.27Å; C190-F219 HydrophobicContact CB-CD1 4.15Å; C190-F219 HydrophobicContact CB-CE1 3.47Å; C190-F219 VanDerWaalsContact CB-CE1 3.47Å; C190-F219 HydrophobicContact CB-CZ 3.97Å; E191-F219 HydrophobicContact CG-CE2 3.93Å; E191-F219 HydrophobicContact CG-CZ 3.64Å; I194-F219 HydrophobicContact CD1-CD1 4.49Å; I194-F219 HydrophobicContact CD1-CD2 3.63Å; I194-F219 HydrophobicContact CD1-CE2 3.79Å; I194-F219 HydrophobicContact CD1-CG 4.03Å; I194-F219 HydrophobicContact CD1-CZ 4.31Å
220A88.2Confident67.1Low17 Ų1792.7 Ų92.714%0.1448%0.477CS..  trans-65.4136.816900000108.9N138 F181 K218 G222N138-A220 HydrophobicContact CB-CB 4.08Å; N138-A220 WeakPolarHBondContact O-CB 3.33Å; N138-A220 PolarHBondContact O-N 2.97Å; F181-A220 HydrophobicContact CD1-CB 3.97Å; F181-A220 HydrophobicContact CE1-CB 3.99Å; K218-A220 PolarHBondContact O-N 3.04Å; A220-G222 PolarHBondContact O-N 3.15Å
221D71.3Confident66.6Low109 Ų10992.5 Ų92.558%0.58348%0.481SS*.  trans-70.573.1167.3-64.7-84.8000109.1K218K218-D221 IonicContact NZ-OD2 3.22Å; K218-D221 PolarHBondContact NZ-OD2 3.48Å
222G58.3Low65.2Low22 Ų2299.6 Ų99.623%0.22751%0.509CS..  trans-49.8147.6177.500000111Q134 A220 Q224Q134-G222 PolarHBondContact NE2-O 3.31Å; A220-G222 PolarHBondContact O-N 3.15Å; G222-Q224 VanDerWaalsContact C-N 3.26Å; G222-Q224 PolarHBondContact O-N 2.97Å
223G54.5Low63.7Low30 Ų30103.3 Ų103.331%0.30951%0.509SS..SBendtrans-49.935.8-146.700000123.3
224Q47.7Very low61.4Low87 Ų87105 Ų10541%0.40752%0.521SS..  trans-139.2106.6153.9-67.3-59.4-8.200109.6Q134 G222 K226Q134-Q224 VanDerWaalsContact NE2-N 3.19Å; G222-Q224 VanDerWaalsContact C-N 3.26Å; G222-Q224 PolarHBondContact O-N 2.97Å; Q224-K226 PolarHBondContact O-N 3.42Å
225K47.9Very low58.9Low166 Ų166110.4 Ų110.472%0.72254%0.542SS*.  trans-58.3112.6162.4-75.9-163.9175.3-166.20107.6R227K225-R227 PolarHBondContact O-N 3.29Å
226K49Very low56.2Low211 Ų211117.1 Ų117.192%0.91758%0.578SS**  trans-68.763172.1-167.2178.8-178.9178.60109.9Q224 Q228Q224-K226 PolarHBondContact O-N 3.42Å; K226-Q228 PolarHBondContact O-N 3.32Å
227R50.5Low53.6Low217 Ų217117 Ų11782%0.81959%0.594SS**  trans-65.288.4167.1-79.4-170.276.9-1754.6107.1K225 S229K225-R227 PolarHBondContact O-N 3.29Å; R227-S229 PolarHBondContact O-N 3.22Å
228Q39.8Very low51Low178 Ų178128.1 Ų128.183%0.83264%0.636SS**  trans15.5102.4146.1-173.217838.500113.3K226 Q230K226-Q228 PolarHBondContact O-N 3.32Å; Q228-Q230 PolarHBondContact O-N 3.34Å; Q228-Q230 VanDerWaalsContact O-N 3.13Å
229S41.3Very low48.5Very low101 Ų101130.7 Ų130.771%0.70666%0.66SS**  trans-31.7114.2178.6179.80000112.9R227 G231R227-S229 PolarHBondContact O-N 3.22Å; S229-G231 PolarHBondContact O-N 3.02Å; S229-G231 VanDerWaalsContact O-N 3.09Å; S229-G231 PolarHBondContact OG-N 2.94Å
230Q38.2Very low45.8Very low182 Ų182139 Ų13985%0.8569%0.689SS**  trans-78.538.4159.2-78.3-159.2-19.400111.5Q228 K232Q228-Q230 PolarHBondContact O-N 3.34Å; Q228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-K232 PolarHBondContact O-N 3.36Å
231G47.6Very low43.4Very low61 Ų61142.5 Ų142.563%0.62972%0.719SS**  trans-66.358.9153.600000111.2S229S229-G231 PolarHBondContact O-N 3.02Å; S229-G231 VanDerWaalsContact O-N 3.09Å; S229-G231 PolarHBondContact OG-N 2.94Å
232K35.8Very low41.6Very low174 Ų174148.7 Ų148.776%0.75773%0.734SS**  trans-130.371.8168.5-75.6-161174.6-169.90109Q230 L234Q230-K232 PolarHBondContact O-N 3.36Å; K232-L234 PolarHBondContact O-N 2.88Å; K232-L234 VanDerWaalsContact O-N 3.13Å
233Y36Very low40.4Very low221 Ų221155.2 Ų155.287%0.86776%0.764SS**  trans-57.3112.5149.3-90.4-90.6000107.2Q235Y233-Q235 PolarHBondContact O-N 3.23Å; Y233-Q235 VanDerWaalsContact O-N 3.15Å
234L34.1Very low39.3Very low156 Ų156157.1 Ų157.182%0.81778%0.783SS**  trans-7896.6179.5-90155.7000109.5K232K232-L234 PolarHBondContact O-N 2.88Å; K232-L234 VanDerWaalsContact O-N 3.13Å
235Q36.5Very low38.5Very low160 Ų160160 Ų16075%0.74880%0.802SS**  trans-116.7110.3157.9-165.672.676.500108.6Y233Y233-Q235 PolarHBondContact O-N 3.23Å; Y233-Q235 VanDerWaalsContact O-N 3.15Å
236N35.7Very low37.9Very low146 Ų146158 Ų15878%0.78180%0.803SS**SBendtrans47.798.9165-58.813000118
237G36.4Very low37.4Very low69 Ų69151 Ų15171%0.71179%0.792SS**  trans174.5115.4164.200000114.6
238R37.2Very low36.5Very low235 Ų235144.8 Ų144.889%0.88779%0.794SS**  trans-33.7141.7-176.6-63.5171176.9-95.6-0.6116.6
239P40.5Very low36.5Very low127 Ų127144 Ų14483%0.82579%0.793SS**PPolyproline II helixtrans-72.6145.217132.6-34.6000111.6
240W35.1Very low36.4Very low249 Ų249145.8 Ų145.894%0.94380%0.799SS**PPolyproline II helixtrans-100.3128159.5-76.573000108.1
241A37.4Very low36.5Very low92 Ų92144.8 Ų144.876%0.7680%0.799SS**PPolyproline II helixtrans-71.8162.2171.600000110.8
242R33.2Very low35.8Very low239 Ų239146.4 Ų146.490%0.90281%0.807SS**  trans-138.362.3-179.7-160.6-153.4-174.7-156.10.6112.8
243D33.4Very low35.6Very low159 Ų159148.3 Ų148.385%0.8581%0.811SS**  trans-136.9147.8161.1-54.8-82.1000105.5
244G31.3Very low35.6Very low70 Ų70144 Ų14472%0.72280%0.803SS**  cis171149.3-3.700000109.4
245D31.8Very low36Very low148 Ų148141 Ų14179%0.79179%0.792SS**  trans75.7158.2172.6-152.3-117.7000120.2
246T34.9Very low36.4Very low122 Ų122138.7 Ų138.775%0.74879%0.79SS**  trans0.4157.5173.752.40000124.3
247G38.1Very low36.3Very low66 Ų66136.2 Ų136.268%0.6879%0.789SS**  trans11822.5136.800000119.8M249G247-M249 PolarHBondContact O-N 2.88Å
248G33.2Very low36.4Very low85 Ų85141 Ų14188%0.87680%0.798SS**  trans-6961.1-179.800000116.2T250G248-T250 PolarHBondContact O-N 2.93Å
249M39Very low36.3Very low163 Ų163137.6 Ų137.680%0.80379%0.792SS**  trans-73.7116.5176.8-76.9-68.7-74.300111.9G247 L251G247-M249 PolarHBondContact O-N 2.88Å; M249-L251 PolarHBondContact O-N 3.02Å
250T39Very low36Very low137 Ų137138.5 Ų138.584%0.8479%0.79SS**  trans-80.596.6173.753.60000110.6G248 A252G248-T250 PolarHBondContact O-N 2.93Å; T250-A252 PolarHBondContact O-N 2.91Å
251L39.9Very low36Very low161 Ų161130.4 Ų130.484%0.84378%0.783SS**  trans-77.2110.1172.2-71.8176000110.6M249M249-L251 PolarHBondContact O-N 3.02Å
252A33.9Very low35.8Very low96 Ų96134.2 Ų134.279%0.79378%0.783SS**  trans-70.6155.8163.300000110.4T250T250-A252 PolarHBondContact O-N 2.91Å
253Y31.7Very low35.8Very low214 Ų214133.7 Ų133.784%0.83978%0.783SS**  trans-91.4117.4-176.7179.6-87.6000110.7P255Y253-P255 HydrophobicContact CE1-CB 3.96Å; Y253-P255 HydrophobicContact CE1-CG 3.94Å
254D34.6Very low35.7Very low130 Ų130130.8 Ų130.870%0.69578%0.775SS**  trans-130.2119.6170.2-171.5-17.9000109.2
255P43.5Very low36.1Very low92 Ų92132 Ų13260%0.59777%0.772SS**  trans-102.852.8-171.740.5-36.7000114.3Y253Y253-P255 HydrophobicContact CE1-CB 3.96Å; Y253-P255 HydrophobicContact CE1-CG 3.94Å
256T43.7Very low36.5Very low113 Ų113129.5 Ų129.569%0.69376%0.764SS**  trans-136.6146.4170.356.80000115
257A34.6Very low36.5Very low94 Ų94133.2 Ų133.278%0.77777%0.766SS**  trans65146.1-178.200000115.4
258L37.8Very low36.2Very low169 Ų169134.9 Ų134.989%0.88577%0.767SS**  cis-137.8167.422.5-84.1166.6000113.4
259Q35.9Very low36.1Very low164 Ų164139.5 Ų139.577%0.76677%0.771SS**  trans-116.4135.3165.2177.5178.51.700110
260N34.7Very low36Very low146 Ų146136.4 Ų136.478%0.78177%0.771SS**  trans65.3147.1177.6-54-26.7000116
261G34.2Very low36.7Very low78 Ų78135.3 Ų135.380%0.80477%0.766SS**  trans153.614.4165.300000122.7
262F33.4Very low36.5Very low173 Ų173134.6 Ų134.676%0.75976%0.763SS**  trans23.9115.6154.8-165.3-85.5000120.3
263Y33.9Very low36.6Very low228 Ų228141.9 Ų141.989%0.89477%0.77SS**  trans-158.8169.6137.4-103.3-64.8000111.4
264S31.7Very low36.7Very low97 Ų97139.1 Ų139.168%0.67877%0.766SS**  trans-92.7154.8-145-56.80000118.7
265S38.6Very low36.9Very low95 Ų95140.6 Ų140.666%0.66477%0.773SS**  trans-74.8174.8161.4-151.60000111.2
266P40.4Very low36.4Very low96 Ų96139.9 Ų139.962%0.62378%0.775SS**  -125.7175.86142.6-32.9000112.7
267Y35.6Very low35.8Very low201 Ų201142.7 Ų142.779%0.78878%0.78SS**  cis-123.7160.5-5.3-74.6-74.6000107.8
268S30Very low35.7Very low100 Ų100143.4 Ų143.470%0.69978%0.775SS**  cis77.488.538.8-44.50000116.1
269L33Very low35.4Very low183 Ų183140.1 Ų140.196%0.95877%0.766SS**  trans-115.4133.2147.2-75.9174.2000108.3
270A35.5Very low35.4Very low98 Ų98139.7 Ų139.781%0.8177%0.768SS**  trans-140.3155.7179.300000110.3
271P54.3Low35.2Very low113 Ų113137.6 Ų137.673%0.73477%0.765SS**  trans-114.5178.9-142.841.1-34.4000116.6
272N36Very low36.4Very low146 Ų146139.1 Ų139.178%0.78176%0.761SS**  trans68.1119.9162.6-73.2-10.4000120
273R35.9Very low36.6Very low249 Ų249140.9 Ų140.994%0.9476%0.764SS**  trans-134.3170.2138.2-81.3-157.6170.9-148.8-1.9110.2
274M33.2Very low36.7Very low156 Ų156136.3 Ų136.377%0.76875%0.752SS**  trans-142.8163.2-149.4-47.3160.481.200111.6
275I39.2Very low36.7Very low162 Ų162139.9 Ų139.983%0.83176%0.758SS**  trans73.6147.2161.4-58.7150.7000113.6
276A32.4Very low36.6Very low77 Ų77140.1 Ų140.164%0.63676%0.759SS**  cis-141.6153.610.400000111.4
277Q30.6Very low37.4Very low172 Ų172140.2 Ų140.280%0.80476%0.76SS**  61141.291.6-67.6-87-2500116.6
278T33Very low37.4Very low108 Ų108137.2 Ų137.266%0.66376%0.762SS**  cis-102.4-116.413.146.60000115.7
279S32.9Very low37.8Very low101 Ų101137.7 Ų137.771%0.70677%0.766SS**  cis-155.9175.317.3-540000112.3
280L35.4Very low37.8Very low154 Ų154133.6 Ų133.681%0.80675%0.752SS**  trans-128.4136.4-174.9-71.893.3000112.3
281S30.7Very low37.8Very low103 Ų103140 Ų14072%0.7276%0.757SS**  86.1164.570.2-45.50000114.3
282P59Low37.1Very low110 Ų110142.4 Ų142.471%0.71476%0.759SS**  cis-138.8171.3-4.931.3-8.4000118.5
283Y37.3Very low37.2Very low209 Ų209142.2 Ų142.282%0.8276%0.763SS**  trans73.1151.6143.3-89-135.8000122.9
284M36.8Very low37.2Very low132 Ų132137.7 Ų137.765%0.6575%0.752SS**  cis-169.9173-26.3-117.5-47.5118.600113.6
285H30.3Very low37.5Very low172 Ų172135.9 Ų135.980%0.79675%0.754SS**  trans96.6128.5170.2-53.494000116.9
286S37.1Very low38.1Very low100 Ų100133.8 Ų133.870%0.69975%0.751SS**  cis108.21448.3-171.60000114.1
287P56.3Low38.2Very low99 Ų99135.5 Ų135.564%0.64376%0.759SS**  cis-143-171.4-32.541-23.1000115.5
288V36.4Very low38.6Very low137 Ų137139.2 Ų139.283%0.8377%0.765SS**  trans62.5156.1161.6-53.60000119.2
289S38.8Very low38.8Very low110 Ų110142.2 Ų142.277%0.76977%0.774SS**  cis-144.1174.51.4-151.20000114
290S32.3Very low39Very low97 Ų97146.2 Ų146.268%0.67878%0.781SS**  trans-69.5151.2-174.256.30000117.4
291Y36.7Very low39.1Very low234 Ų234148 Ų14892%0.91879%0.785SS**  trans-151.8147.4132.9-109.7-77.2000110.9
292Q38Very low39.3Very low162 Ų162150.4 Ų150.476%0.75779%0.785SS**  trans-113.6143170.8-71.2-167-0.600110.9
293V38.1Very low38.2Very low143 Ų143150.5 Ų150.587%0.86779%0.788SS**  trans-139.8140.8158.9-177.50000108
294H37.1Very low38.1Very low154 Ų154151.3 Ų151.371%0.71379%0.792SS**PPolyproline II helixtrans-86.7154.7-174.2-71.630.6000113.1
295S38.5Very low38Very low117 Ų117152 Ų15282%0.81880%0.797SS**PPolyproline II helixtrans-92126.7169.3-53.30000111
296P52Low38.3Very low118 Ų118152.5 Ų152.577%0.76680%0.802SS**PPolyproline II helixtrans-87.9117.9172.232.1-30.7000111.7
297S35.4Very low38.5Very low113 Ų113155.6 Ų155.679%0.7981%0.805SS**PPolyproline II helixtrans-70.9134169.7-55.60000110.9
298W37.5Very low38.8Very low250 Ų250156.2 Ų156.295%0.94781%0.809SS**PPolyproline II helixtrans-80.5129.6168.9-96.871.8000111
299M38Very low38.7Very low172 Ų172154.4 Ų154.485%0.84781%0.809SS**PPolyproline II helixtrans-93159-173.6-68.4176.964.100112.6
300H38Very low38.6Very low184 Ų184152.6 Ų152.685%0.85281%0.807SS**PPolyproline II helixtrans-67.5156.2171.6-64.1-164.3000111.1
301H37.2Very low38.6Very low191 Ų191155 Ų15588%0.88482%0.818SS**  trans-116.6138.3162.1-142.1-76.8000110.9
302Q34.4Very low38.6Very low154 Ų154149.6 Ų149.672%0.7281%0.809SS**  trans-100.2162.9172.9-76.9-79.8-4.500110.1
303S35.1Very low38.5Very low113 Ų113150 Ų15079%0.7982%0.816SS**  trans-140.3144.9163.445.90000109.4
304Y35.8Very low38.4Very low226 Ų226149 Ų14989%0.88681%0.81SS**  trans-92162.2-156.9-103.4-99.4000115.8
305L34.7Very low39.5Very low147 Ų147147.2 Ų147.277%0.7781%0.812SS**  trans-54.1151177.4-81.4147.5000116.4
306M37.2Very low39.1Very low182 Ų182147.6 Ų147.690%0.89781%0.81SS**  trans-149.8146131.9-139.8-177.681.500111.9
307Q41.6Very low38.2Very low164 Ų164150 Ų15077%0.76681%0.813SS**  trans-169.8177-176.6-111.5-160.817.700108.5
308P61.1Low37.7Very low112 Ų112151 Ų15173%0.72781%0.805SS**  cis-136.8176.4-21.636.5-18.7000114.9
309A35.7Very low38Very low99 Ų99146.7 Ų146.782%0.81880%0.795SS**  trans-152.3139.4142.200000106.2
310G35.3Very low37.7Very low72 Ų72142.7 Ų142.774%0.74279%0.79SS**  89.9111.854.200000107.7
311T33.8Very low37.9Very low147 Ų147142.2 Ų142.290%0.90279%0.79SS**  cis-154.6164.533.8-62.70000112.1
312V36.4Very low37.8Very low121 Ų121139.1 Ų139.173%0.73379%0.789SS**  trans-84.4147.8177.7172.80000112.3
313L36.1Very low37.9Very low171 Ų171138 Ų13890%0.89579%0.787SS**  trans-162160.5141.4-106.2177.3000111.4
314T35Very low37.8Very low122 Ų122140.8 Ų140.875%0.74879%0.788SS**  trans-129.9-172.2-174.774.40000110.2
315P61.5Low38.6Very low117 Ų117134.4 Ų134.476%0.7677%0.774SS**  -118.7146.1-129.137.2-19.1000116.9
316T28.8Very low38.7Very low125 Ų125133.4 Ų133.477%0.76777%0.774SS**  trans-152.4132.7170.950.90000113.2
317M32.7Very low38.8Very low167 Ų167129.1 Ų129.182%0.82376%0.762SS**  trans58.9157.4140.4-61.8173.282.100119.8
318E26.8Very low38.6Very low135 Ų135128.7 Ų128.763%0.63176%0.762SS**  cis-170.5169.3-33.1-158.9-174.5-171.800106.5
319H42.8Very low37.4Very low159 Ų159131 Ų13174%0.73677%0.765SS**  trans67155.9164.5-73.6103.4000117.3
320A32.1Very low37.7Very low89 Ų89129.5 Ų129.574%0.73676%0.759SS**  cis-148.2170.8-7.500000111.6
321M41.1Very low39.3Very low174 Ų174132.3 Ų132.386%0.85776%0.764SS**  trans-75.6162.4172.7-55.5176.9-72.300112.6
322S36.8Very low39.6Very low125 Ų125133.7 Ų133.787%0.87477%0.765SS**  trans-146.3153.7154.6-169.10000110.9
323I35.6Very low39.8Very low132 Ų132133.4 Ų133.468%0.67776%0.763SS**  trans-155.2135.5-155.1-113.1168.9000111.3
324Q33.6Very low40.2Very low171 Ų171132.7 Ų132.780%0.79976%0.755SS**  trans67.6173.3157.8-65.3-73.3-62.700117.4
325P51.6Low40.6Very low92 Ų92135.1 Ų135.160%0.59776%0.759SS**  cis-145-174-46.641.7-25.4000117
326T36.8Very low39.4Very low125 Ų125136 Ų13677%0.76776%0.756SS**  trans78.3141.9144.4-61.90000119.8
327S40.6Very low39.6Very low92 Ų92134.4 Ų134.464%0.64375%0.75SS**  cis-174.8176.1-25.9-85.60000110.2
328M35.8Very low40Very low156 Ų156135.7 Ų135.777%0.76875%0.753SS**  trans113.9141.9144.8-55.1-55.6-103.600120.2
329M35.8Very low40.5Very low161 Ų161137 Ų13779%0.79376%0.764SS**  trans-11.8158.4167.3-90.160.87900121.1
330G43Very low40Very low66 Ų66135.2 Ų135.268%0.6877%0.77SS**  cis177.6-177.96.300000112.4
331P67.7Low40.5Very low132 Ų132139.5 Ų139.586%0.85778%0.779SS**  trans-90.5159-169.335.8-36000114.7
332L40.5Very low40.1Very low176 Ų176135 Ų13592%0.92178%0.777SS**  trans-133.4146.4168.4-158.175.9000112.1
333T41Very low40.2Very low114 Ų114134.3 Ų134.370%0.69977%0.772SS**  trans-121.6143.6177.7170.70000110
334Q45.8Very low40.1Very low156 Ų156135.3 Ų135.373%0.72979%0.785SS**  trans173.6134.6134.4-101.317586.200113.7
335Q43.2Very low40Very low174 Ų174130.6 Ų130.681%0.81378%0.782SS**  167.4113.9119.9-89.8178.3-123.200107
336L35.3Very low39.1Very low134 Ų134132.1 Ų132.170%0.70279%0.79SS**  61.8132.276.1-64175.5000113
337S34Very low39Very low92 Ų92136.8 Ų136.864%0.64380%0.795SS**  cis179.9133.8-11.745.10000110.6
338H39.7Very low39Very low194 Ų194138.8 Ų138.890%0.89880%0.797SS**  trans-176.6156.1137.847.1-91.1000112.8
339L37.3Very low39.8Very low164 Ų164136.6 Ų136.686%0.85979%0.794SS**  trans-107.6146.9171-69.1150.5000109.1
340S33.9Very low39.8Very low121 Ų121132.9 Ų132.985%0.84679%0.789SS**  169.5160.3125.8-78.30000113.6
341L40.9Very low39.4Very low179 Ų179136.3 Ų136.394%0.93779%0.792SS**  trans-81.4158.5172.4-54.697.2000111.8
342G33.1Very low37.9Very low79 Ų79134.4 Ų134.481%0.81478%0.778SS**  trans-167.6124169.200000112.1
343S39.5Very low37.5Very low111 Ų111131.8 Ų131.878%0.77677%0.769SS**  trans-106.3174.4176.4-66.10000111.3
344T32.4Very low37.5Very low153 Ų153133.2 Ų133.294%0.93977%0.77SS**  trans74.5151.6179.478.20000115
345G32.7Very low37Very low71 Ų71134 Ų13473%0.73277%0.774SS**  cis-166.1163.9-2.100000114.8
346T31.9Very low36.6Very low125 Ų125128.9 Ų128.977%0.76777%0.768SS**  trans-54.3146.7-176.1-47.90000115.9I348T346-I348 HydrophobicContact CG2-CG1 4.31Å
347Y35Very low36.4Very low222 Ų222128.5 Ų128.587%0.87177%0.771SS**  trans-150.4141.9141.5-128.2-84.5000113
348I41.1Very low36.3Very low135 Ų135135 Ų13569%0.69278%0.783SS**  trans-145.3147.5171.7-30.3177.8000107.7T346T346-I348 HydrophobicContact CG2-CG1 4.31Å
349P51.4Low36.2Very low109 Ų109133.4 Ų133.471%0.70878%0.779SS**  -128.9138.61174.916.9000111.1
350A37.3Very low36.8Very low83 Ų83131 Ų13169%0.68677%0.774SS**  70.713865.100000112.6
351N34.1Very low36.8Very low139 Ų139132 Ų13274%0.74377%0.765SS**  cis-152.6169.39.2-134.724.5000109.6
352T36Very low36.4Very low92 Ų92133.8 Ų133.856%0.56476%0.761SS**  cis-125.3-10212-50.40000113.1M354T352-M354 HydrophobicContact CG2-CE 3.81Å
353T32.9Very low36.6Very low120 Ų120135 Ų13574%0.73675%0.752SS**  cis-150.3169.58.7-60.20000110.2
354M39.7Very low37.3Very low144 Ų144135 Ų13571%0.70975%0.75SS**  trans-97.9143.4-163-64.5-67.5100.600114T352T352-M354 HydrophobicContact CG2-CE 3.81Å
355Q36.3Very low37.6Very low173 Ų173134.6 Ų134.681%0.80875%0.747SS**  cis-118.5-137.9-8.4-60.1-173.3-4.600109.4
356G34.4Very low38.2Very low67 Ų67136.2 Ų136.269%0.69175%0.745SS**  cis157.7154.25.200000108.6
357T31.6Very low38.8Very low125 Ų125136.4 Ų136.477%0.76775%0.748SS**  cis-142.4129.92.6-69.70000109.2
358Y31.6Very low38.9Very low229 Ų229131.3 Ų131.390%0.89875%0.745SS**  trans35.7126.2162.4-115.9-106.3000122.2
359I36.5Very low38.4Very low160 Ų160132.5 Ų132.582%0.82175%0.752SS**  trans-149.8146.7178.119.4168.7000113.1
360P50.5Low37.5Very low114 Ų114134.3 Ų134.374%0.7476%0.761SS**  trans-106.6-164.1178.642.1-36.3000114.3
361Q33.3Very low37.8Very low143 Ų143135.5 Ų135.567%0.66876%0.762SS**  trans-127.1177.5169.3-70.1-68.3-21.300108.4
362Y34Very low37.8Very low215 Ų215134.5 Ų134.584%0.84376%0.761SS**  cis-154.9-169.728.3-66.7-90.2000109.7
363T36.5Very low37.6Very low104 Ų104138.3 Ų138.364%0.63877%0.772SS**  -173.3147-53-68.10000106.4
364P54.3Low37.5Very low112 Ų112139.6 Ų139.673%0.72777%0.77SS**  trans-111.3164.8-165.840.9-34.2000116
365V38.2Very low37Very low145 Ų145139.4 Ų139.488%0.87977%0.772SS**  trans-155.7-172.7159-710000109.8
366P46.1Very low36.7Very low105 Ų105134.6 Ų134.668%0.68277%0.768SS**  -125.7179.2-110.231.8-7.2000115.8
367P45.1Very low36.5Very low128 Ų128135 Ų13583%0.83177%0.772SS**  trans-86.1145.8170.534.2-34000113.2
368S36.6Very low36.5Very low116 Ų116137.8 Ų137.881%0.81178%0.777SS**  trans-132138.9177.9-68.30000112.8
369N30.7Very low36.6Very low159 Ų159135.2 Ų135.285%0.8577%0.773SS**  trans-79148167.2-63.9-23000111.2
370V32.5Very low36.5Very low147 Ų147135.2 Ų135.289%0.89177%0.769SS**  trans-160.5160.6140.9-101.50000110.5
371P43.3Very low35.4Very low108 Ų108137.8 Ų137.870%0.70177%0.771SS**  trans-126.2174.5-159.845.3-32.3000116.3
372V33.1Very low35.5Very low118 Ų118137.7 Ų137.772%0.71578%0.78SS**  trans36.6143.9132.1-178.60000121.8
373E32.9Very low35.5Very low172 Ų172131.5 Ų131.580%0.80477%0.773SS**  trans71.8154.7162.9-86.8167.3123.300118.1
374E29.4Very low35.4Very low148 Ų148133.9 Ų133.969%0.69278%0.779SS**  cis-156.8162.8-18.8-154.7-155.735.200110.1
375N30.7Very low34.3Very low140 Ų140136.9 Ų136.975%0.74978%0.784SS**  trans71.9150.3143.2-129.1-37000124.4
376G29.3Very low34.1Very low71 Ų71136.9 Ų136.973%0.73278%0.779SS**  trans89.5129.4153.900000118.5
377G30.5Very low34.3Very low75 Ų75137.4 Ų137.477%0.77378%0.782SS**  trans-167-85.6-18000000117.9
378Q32.3Very low33.8Very low185 Ų185135 Ų13586%0.86477%0.773SS**  trans74.4162.6-173.4-57.7-170.6-17.200118.3
379Q32.8Very low33.8Very low175 Ų175138.1 Ų138.182%0.81878%0.775SS**  trans76.2128.4174.8-57.2-177.714.400116.2
380Q33.4Very low34.3Very low160 Ų160139.8 Ų139.875%0.74878%0.777SS**  cis-151.6179.2-8.6-162.5153.8-11.800111.5
381Q29.2Very low34.6Very low167 Ų167138.7 Ų138.778%0.7877%0.771SS**  trans-57.2162.7-177.4-68.7159-45.800113.7
382V34.8Very low34.1Very low141 Ų141141.2 Ų141.286%0.85578%0.779SS**  -151.3154.765.9175.70000114.5
383A34.8Very low34.3Very low85 Ų85145.1 Ų145.170%0.70278%0.782SS**  trans-46.9174.5167.300000118.1
384M32.6Very low34.4Very low155 Ų155142.7 Ų142.776%0.76478%0.784SS**  cis-176.2152.1-25.4177.9151.3168.800109.4
385E31.1Very low34.7Very low174 Ų174145.5 Ų145.581%0.81379%0.79SS**  trans69.1153.3160.6-89.4-180116.100123.1
386N35.2Very low35.2Very low145 Ų145146.5 Ų146.578%0.77579%0.79SS**  trans-85.9170177.6-134.17.4000108.9
387P49.5Very low35.6Very low117 Ų117151.1 Ų151.176%0.7679%0.792SS**  -157161.983.940.8-21.1000118.8
388A36.3Very low35.9Very low78 Ų78152.4 Ų152.465%0.64579%0.785SS**  trans40.3130.2137.500000123.5
389E35.1Very low36.4Very low181 Ų181156.8 Ų156.885%0.84680%0.801SS**  trans38124.1132-55.8-171.5115.600121.2
390H42.2Very low36.6Very low193 Ų193155.9 Ų155.989%0.89480%0.8SS**  -151.7141.8128.8-107.9-68000112.4
391T37.8Very low36.7Very low125 Ų125155.6 Ų155.677%0.76780%0.803SS**  trans-73.5146.2174.224.10000112.7
392N33.8Very low37.2Very low160 Ų160155 Ų15586%0.85680%0.804SS**  trans-155158138-134.1-31.9000114.4
393Y36.8Very low37.3Very low200 Ų200155.8 Ų155.878%0.78480%0.801SS**  trans-87.6156179-84.6-110.8000112.2
394S36Very low37.5Very low121 Ų121160.3 Ų160.385%0.84681%0.808SS**  trans-149.3142140.9-170.10000110.2
395Y34.8Very low37.8Very low208 Ų208160.6 Ų160.682%0.81681%0.81SS**  trans-125151-178-128.2-96.1000109.8H397Y395-H397 PolarHBondContact O-N 3.27Å
396Q40.7Very low38.3Very low161 Ų161159.6 Ų159.675%0.75281%0.81SS**  trans-25.1123.5169.7-78.4-83.46.900116.7
397H39Very low38.5Very low168 Ų168160.8 Ų160.878%0.77881%0.813SS**  -151.4125.3129.6-131.871000117.4Y395Y395-H397 PolarHBondContact O-N 3.27Å
398T36.5Very low37.6Very low102 Ų102164.4 Ų164.463%0.62682%0.817SS**  trans-11.9123.1152.7-250000118.5
399K42Very low37.7Very low276 Ų276172.3 Ų172.3100%1.283%0.833SS**  -159.60117.7-119.7179.3-178.6179.40112.9

Retrieved 399 of 399 residues in 176.3 ms (Link to these results)