A0A087YLF3_POEFO Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YLF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low35.2Very low217 Ų217171.1 Ų171.1100%1.06986%0.863SS**  088.70-57.7177.3-169.100107.7
2E32Very low35.6Very low187 Ų187176.2 Ų176.287%0.87486%0.864SS**  cis61.8141.924.8-55.6155.5103.100113.1
3A33.2Very low35.3Very low87 Ų87173.7 Ų173.772%0.71986%0.857SS**  cis-142.5164.715.800000114.8
4F34.1Very low35.2Very low191 Ų191167.7 Ų167.784%0.83884%0.841SS**  trans-69.9146.2162.1-81.3-113000112.1
5R39Very low35.6Very low230 Ų230167.7 Ų167.787%0.86884%0.843SS**  -179.8132.9126.2-99156.1-96.2-123.85.9108.5
6A34.3Very low35.4Very low96 Ų96163.8 Ų163.879%0.79384%0.836SS**  cis76.5103.137.400000114.1
7G30.7Very low35.2Very low84 Ų84162.2 Ų162.287%0.86684%0.836SS**  trans-178.3148.2170.100000109.9
8G31.1Very low35Very low69 Ų69160.3 Ų160.371%0.71184%0.837SS**  cis169.5111.7-7.400000110.3R10G8-R10 PolarHBondContact O-N 3.08Å
9R41.9Very low34.9Very low252 Ų252158.3 Ų158.395%0.95184%0.838SS**  trans-64.2128.5-178.1-62-171.2-130.3-112.54.4110.9
10R41.7Very low34.9Very low239 Ų239158.2 Ų158.290%0.90284%0.838SS**  trans-132.992165.6-68.1-73.7-94.6-145.7-9.4109.5G8G8-R10 PolarHBondContact O-N 3.08Å
11Y33.5Very low35Very low230 Ų230157.3 Ų157.390%0.90284%0.838SS**  trans-60.1138.5156.8-117.4-105.6000108.1
12R40.1Very low35Very low232 Ų232153.8 Ų153.888%0.87582%0.824SS**  trans-146.7110.2157.9-142.6178.3-167.5-168.90.9110.4
13N32.2Very low35.1Very low144 Ų144151.3 Ų151.377%0.7782%0.821SS**  trans-104.7131.6164.5-176.918.7000106.6
14S34Very low35Very low90 Ų90150.9 Ų150.963%0.62983%0.825SS**  trans-163.5123.7-179.649.40000111.5
15L40.7Very low35.2Very low167 Ų167153.1 Ų153.187%0.87483%0.83SS**  trans-96.8137.8169.6-68110000111.1
16S32.8Very low34.6Very low106 Ų106149.4 Ų149.474%0.74183%0.827SS**  trans-168.8111.5158.650.90000106.7
17V31.3Very low34.9Very low137 Ų137148.6 Ų148.683%0.8382%0.82SS**  72.6113.474.3175.50000112.7
18C31.3Very low35.6Very low127 Ų127150.6 Ų150.686%0.85882%0.818SS**  trans22.2130.2160.9-53.80000122.1
19S34.1Very low35.6Very low122 Ų122156.3 Ų156.385%0.85383%0.826SS**  trans-142.8132.1132.660.10000109.4
20D35.3Very low35.1Very low157 Ų157149.9 Ų149.984%0.8481%0.811SS**  trans-117.2124.7-179169.434000108.2
21V37.3Very low34.7Very low139 Ų139149.7 Ų149.784%0.84281%0.81SS**  trans-150.2141.5171.2-168.50000110.7
22D34Very low34.5Very low143 Ų143144 Ų14477%0.76580%0.799SS**  trans-70.3165.4-166.2-128.3-19000118.8
23V35.4Very low34.1Very low135 Ų135141.8 Ų141.882%0.81880%0.798SS**  trans26.8133.5142.7165.50000121.6
24G30.9Very low34.2Very low78 Ų78143.5 Ų143.580%0.80479%0.794SS**  trans-174.397159.700000113.7
25Y36.9Very low34.1Very low239 Ų239146.9 Ų146.994%0.93781%0.805SS**  trans-91.6127.7168-135.3-90.2000107.9
26D28.2Very low33.6Very low152 Ų152145.7 Ų145.781%0.81380%0.795SS**  trans-165.1158.9137.9-146.4-8000112.3
27A39.3Very low33.5Very low78 Ų78145.9 Ų145.965%0.64580%0.803SS**  trans-149.3117.4169.200000110.3
28P45.5Very low33.4Very low127 Ų127148.2 Ų148.283%0.82581%0.805SS**  trans-87.3151.2171.933.7-32.2000112.1
29E31.8Very low33.4Very low188 Ų188146.5 Ų146.588%0.87980%0.8SS**  trans-95.5-173.8-169-55.4174.8112.200114
30D30.1Very low33.1Very low117 Ų117144.5 Ų144.563%0.62680%0.799SS**  trans72113.5151-166.647.9000119.2V32D30-V32 PolarHBondContact OD1-N 3.42Å
31R34Very low32.7Very low236 Ų236140.7 Ų140.789%0.89180%0.796SS**  -152.8117.4105.4-108.3167.7-166.3-177.94.3115.1
32V30Very low32.3Very low110 Ų110139.3 Ų139.367%0.66780%0.8SS**  trans-57.8128.7167.4174.10000111.8D30D30-V32 PolarHBondContact OD1-N 3.42Å
33H32.1Very low32.6Very low185 Ų185137.4 Ų137.486%0.85680%0.804SS**  -143.9147.5129.3-116.459.7000113
34R32.5Very low32.7Very low180 Ų180140.3 Ų140.368%0.67981%0.809SS**  trans-115.1136.9-177.4159.7-168.6176.5-172.30.7107E36R34-E36 IonicContact CZ-OE2 3.2Å; R34-E36 IonicContact NE-OE2 2.9Å; R34-E36 PolarHBondContact NE-OE2 2.9Å; R34-E36 IonicContact NH2-OE2 2.67Å; R34-E36 PolarHBondContact NH2-OE2 3.13Å
35D32.1Very low33.4Very low161 Ų161145.4 Ų145.486%0.86181%0.811SS**  trans-155.3155.4144.3-105.9-38.6000110.7
36E30.6Very low33.3Very low142 Ų142140.2 Ų140.266%0.66481%0.805SS**  trans-115.9127.9-170.1-67.9160.572.500110.5R34R34-E36 IonicContact CZ-OE2 3.2Å; R34-E36 IonicContact NE-OE2 2.9Å; R34-E36 PolarHBondContact NE-OE2 2.9Å; R34-E36 IonicContact NH2-OE2 2.67Å; R34-E36 PolarHBondContact NH2-OE2 3.13Å
37A31.6Very low33.8Very low111 Ų111141.5 Ų141.592%0.91780%0.803SS**  trans-156.9140.4162.600000111.2
38E28.4Very low33.6Very low185 Ų185144.2 Ų144.286%0.86481%0.814SS**  trans-105.7160.9179.8-157.2-164.5120.100111.4
39A30.9Very low33Very low91 Ų91143.7 Ų143.775%0.75281%0.813SS**  trans67.8138.4155.700000120
40G27.9Very low33.9Very low80 Ų80139.4 Ų139.483%0.82581%0.81SS**  trans135.952.4136.600000122
41G27.4Very low34.5Very low77 Ų77142.7 Ų142.779%0.79482%0.822SS**  trans75.8175.313500000122
42A29.3Very low35Very low110 Ų110135.5 Ų135.591%0.90981%0.813SS**  trans61.4110.4169.900000119.1
43A40.5Very low36.2Very low103 Ų103135.1 Ų135.185%0.85181%0.813SS**  trans-74.7158.1173.700000114.4
44E36.5Very low37Very low197 Ų197132.3 Ų132.392%0.92181%0.811SS**  -143.6168.5128.8-142.7-176.5178.800110.3
45E45.8Very low37.9Very low185 Ų185129.3 Ų129.386%0.86481%0.812SS**  trans-77.4139.8-171.4-59.8-171.9106.200113.9
46T35.7Very low38.9Very low130 Ų130126.4 Ų126.480%0.79881%0.805SS**  trans-165.1118.1142.3-85.90000111.5
47K38.5Very low40.3Very low179 Ų179131.2 Ų131.278%0.77882%0.817SS**  trans52.8110.2146.4-171.4-176.5-177.1-178.60118.3S49K47-S49 PolarHBondContact O-N 3.34Å
48P34.2Very low42Very low134 Ų134132.3 Ų132.387%0.8781%0.807SS**  trans-65.9106.9169.328.3-33.4000110.6
49S32.3Very low44.1Very low116 Ų116129.8 Ų129.881%0.81181%0.808SS**  trans-72.6135168.1-1650000109.5K47K47-S49 PolarHBondContact O-N 3.34Å
50A50.9Low46.4Very low99 Ų99128.6 Ų128.682%0.81879%0.789SS**  trans-88.7111.5-177.100000111.2
51E43.3Very low49Very low186 Ų186128.9 Ų128.987%0.86978%0.776SS**  trans-143.464.6161.5-157.3162.1-175.900112
52A44.5Very low51.2Low84 Ų84133 Ų13369%0.69477%0.769SS**  trans-69.9135.7155.700000108.3
53P54.9Low53.5Low103 Ų103134.6 Ų134.667%0.66976%0.755SS**  trans-59149.6-179.725.8-35.1000110.2T55P53-T55 PolarHBondContact O-N 2.62Å
54P48.9Very low55.5Low126 Ų126132.6 Ų132.682%0.81873%0.732SS**  trans-60.498.5-171.523.9-34.4000110.8S56P54-S56 PolarHBondContact O-N 3Å
55T52.3Low57.5Low116 Ų116128.1 Ų128.171%0.71271%0.714SS**  trans-54.1112179.6500000107.7P53 R57P53-T55 PolarHBondContact O-N 2.62Å; T55-R57 PolarHBondContact O-N 3.46Å
56S52.6Low59Low101 Ų101123.8 Ų123.871%0.70669%0.692SS**  trans-52.9107.9-168.4-45.30000108.6P54 L58P54-S56 PolarHBondContact O-N 3Å; S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 2.89Å
57R61Low61Low242 Ų242120.7 Ų120.791%0.91368%0.676SS**  trans-67.688.4-169.7-72.3-172.2179.3-176.10.8109T55 C59T55-R57 PolarHBondContact O-N 3.46Å; R57-C59 PolarHBondContact O-N 2.82Å
58L65.8Low63.1Low134 Ų134118 Ų11870%0.70267%0.669SS**  trans-55.8113.6176.8-61.8-179.6000106.6S56 L60S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 2.89Å; L58-L60 HydrophobicContact CB-CD1 4.47Å; L58-L60 HydrophobicContact CB-CD2 4.1Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 PolarHBondContact O-N 2.81Å
59C73.8Confident65.3Low133 Ų133114.7 Ų114.790%0.89964%0.644SS**  trans-75.566.9178.4-163.70000108.8R57R57-C59 PolarHBondContact O-N 2.82Å
60L77.4Confident67.5Low65 Ų65112.9 Ų112.934%0.3464%0.644SS.*  trans-69.4136.2177.4-61.2179.1000108.1L58 V64 L68L58-L60 HydrophobicContact CB-CD1 4.47Å; L58-L60 HydrophobicContact CB-CD2 4.1Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 PolarHBondContact O-N 2.81Å; L60-V64 HydrophobicContact CB-CB 4.3Å; L60-V64 HydrophobicContact CB-CG1 4.26Å; L60-V64 HydrophobicContact CD1-CG1 4.28Å; L60-V64 HydrophobicContact CD2-CG1 4.47Å; L60-L68 HydrophobicContact CD1-CD1 3.67Å
61P83.9Confident69.1Low86 Ų86115.9 Ų115.956%0.55865%0.647SS**  trans-52.8145173.5-25.834000110.8K63 V64 L65P61-K63 PolarHBondContact O-N 2.9Å; P61-V64 HydrophobicContact CB-CG2 4.27Å; P61-V64 HydrophobicContact CG-CG2 4.31Å; P61-V64 WeakPolarHBondContact O-CA 3.12Å; P61-V64 WeakPolarHBondContact O-CB 3.42Å; P61-V64 PolarHBondContact O-N 2.92Å; P61-L65 PolarHBondContact O-N 2.82Å
62Y73.8Confident70.9Confident163 Ų163110.3 Ų110.364%0.63963%0.625SS**Hα-helixtrans-52.1-36.6-177.2-179.4-103.2000113.3V64 L65 K66Y62-V64 VanDerWaalsContact C-N 3.27Å; Y62-V64 PolarHBondContact O-N 2.95Å; Y62-L65 PolarHBondContact O-N 2.83Å; Y62-K66 HydrophobicContact CE1-CD 3.87Å; Y62-K66 WeakPolarHBondContact O-CB 3.45Å; Y62-K66 PolarHBondContact O-N 2.91Å; Y62-K66 WeakPolarHBondContact OH-CE 3.35Å; Y62-K66 PolarHBondContact OH-NZ 2.89Å; Y62-K66 VanDerWaalsContact OH-NZ 3.12Å
63K76.8Confident72.6Confident145 Ų145115.4 Ų115.463%0.6363%0.628SS**Hα-helixtrans-59.7-30.6173.1-77.9-165.8173.1-1660114.3P61 S67 R74P61-K63 PolarHBondContact O-N 2.9Å; K63-S67 PolarHBondContact O-OG 3.22Å; K63-S67 VanDerWaalsContact O-OG 3.05Å; K63-R74 PolarHBondContact O-NH1 2.8Å
64V81.9Confident73.9Confident60 Ų60114.1 Ų114.136%0.36461%0.609SS.*Hα-helixtrans-87.3-40.4179.4-179.70000110.5L60 P61 Y62 K66 S67 L68L60-V64 HydrophobicContact CB-CB 4.3Å; L60-V64 HydrophobicContact CB-CG1 4.26Å; L60-V64 HydrophobicContact CD1-CG1 4.28Å; L60-V64 HydrophobicContact CD2-CG1 4.47Å; P61-V64 HydrophobicContact CB-CG2 4.27Å; P61-V64 HydrophobicContact CG-CG2 4.31Å; P61-V64 WeakPolarHBondContact O-CA 3.12Å; P61-V64 WeakPolarHBondContact O-CB 3.42Å; P61-V64 PolarHBondContact O-N 2.92Å; Y62-V64 VanDerWaalsContact C-N 3.27Å; Y62-V64 PolarHBondContact O-N 2.95Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.83Å; V64-S67 WeakPolarHBondContact O-CA 3.44Å; V64-S67 WeakPolarHBondContact O-CB 3Å; V64-S67 PolarHBondContact O-N 3.07Å; V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 3.19Å
65L79.6Confident75.6Confident104 Ų104111 Ų11155%0.54559%0.586SS.*Hα-helixtrans-58.4-43173.7-172.462.2000110.7P61 Y62 S67 L68 D69P61-L65 PolarHBondContact O-N 2.82Å; Y62-L65 PolarHBondContact O-N 2.83Å; L65-S67 PolarHBondContact O-N 2.72Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-D69 PolarHBondContact O-N 3.15Å
66K77.4Confident77.1Confident93 Ų93109.7 Ų109.740%0.40457%0.574SS.*THydrogen-bonded Turntrans-72.2-0170.4-92.2-165.8162.1178.70116.1Y62 V64 R74Y62-K66 HydrophobicContact CE1-CD 3.87Å; Y62-K66 WeakPolarHBondContact O-CB 3.45Å; Y62-K66 PolarHBondContact O-N 2.91Å; Y62-K66 WeakPolarHBondContact OH-CE 3.35Å; Y62-K66 PolarHBondContact OH-NZ 2.89Å; Y62-K66 VanDerWaalsContact OH-NZ 3.12Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.83Å; K66-R74 PolarHBondContact O-NH1 3.46Å
67S77.9Confident78.5Confident65 Ų65112.2 Ų112.246%0.45558%0.575SS.*THydrogen-bonded Turntrans-93.6-15.5166.7-60.90000112.6K63 V64 L65 R74K63-S67 PolarHBondContact O-OG 3.22Å; K63-S67 VanDerWaalsContact O-OG 3.05Å; V64-S67 WeakPolarHBondContact O-CA 3.44Å; V64-S67 WeakPolarHBondContact O-CB 3Å; V64-S67 PolarHBondContact O-N 3.07Å; L65-S67 PolarHBondContact O-N 2.72Å; S67-R74 PolarHBondContact OG-NH1 2.91Å
68L81.7Confident79.6Confident122 Ų122104.8 Ų104.864%0.63955%0.549SS*.SBendtrans-108.94.8-173.4-61.7171.6000112.1L60 V64 L65 G70L60-L68 HydrophobicContact CD1-CD1 3.67Å; V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 3.19Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-G70 PolarHBondContact O-N 2.95Å
69D80.6Confident80.5Confident65 Ų65101 Ų10135%0.34853%0.529SS..  trans-83.6105.5177.9-169.4-23.9000108.7L65 D71 V72L65-D69 PolarHBondContact O-N 3.15Å; D69-D71 VanDerWaalsContact C-N 3.3Å; D69-D71 PolarHBondContact OD1-N 2.89Å; D69-V72 HydrophobicContact CB-CB 4.17Å; D69-V72 HydrophobicContact CB-CG2 4.45Å; D69-V72 VanDerWaalsContact CG-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.21Å; D69-V72 VanDerWaalsContact OD2-CG2 3.28Å; D69-V72 WeakPolarHBondContact OD2-CG2 3.45Å
70G79.7Confident81Confident78 Ų7899.1 Ų99.180%0.80451%0.514SS*.SBendtrans-73.6-21-176.500000114L68L68-G70 PolarHBondContact O-N 2.95Å
71D84.4Confident81.5Confident163 Ų163100.9 Ų100.987%0.87252%0.516SS*.SBendtrans-87.6-12.6-179.5-59.8-38.8000111.8D69D69-D71 VanDerWaalsContact C-N 3.3Å; D69-D71 PolarHBondContact OD1-N 2.89Å
72V80.1Confident81.6Confident68 Ų68100.4 Ų100.441%0.41251%0.506SS..SBendtrans-108.799.5-179.7177.70000110.7D69 R74D69-V72 HydrophobicContact CB-CB 4.17Å; D69-V72 HydrophobicContact CB-CG2 4.45Å; D69-V72 VanDerWaalsContact CG-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.21Å; D69-V72 VanDerWaalsContact OD2-CG2 3.28Å; D69-V72 WeakPolarHBondContact OD2-CG2 3.45Å; V72-R74 PolarHBondContact O-N 2.67Å; V72-R74 VanDerWaalsContact O-N 3.12Å
73Y80.1Confident81.9Confident192 Ų19296.6 Ų96.675%0.75350%0.497SS*.  trans-56.3120170.2173-101.7000110.9N75Y73-N75 HydrophobicContact CE1-CB 3.9Å
74R81.5Confident82Confident76 Ų7693 Ų9329%0.28749%0.487SS..  trans-117114.7176.1-175.4173.7-178.1178.2-5.4109.8K63 K66 S67 V72 L76 D79K63-R74 PolarHBondContact O-NH1 2.8Å; K66-R74 PolarHBondContact O-NH1 3.46Å; S67-R74 PolarHBondContact OG-NH1 2.91Å; V72-R74 PolarHBondContact O-N 2.67Å; V72-R74 VanDerWaalsContact O-N 3.12Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 HydrophobicContact CG-CD2 4.09Å; R74-L76 PolarHBondContact O-N 2.65Å; R74-D79 IonicContact CZ-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.76Å; R74-D79 PolarHBondContact NE-OD2 2.96Å; R74-D79 IonicContact NH2-OD2 2.71Å; R74-D79 PolarHBondContact NH2-OD2 3.33Å
75N85.5Confident81.8Confident60 Ų6091.5 Ų91.532%0.32148%0.479SS..  trans-73.488.6173.1-170.5-25.6000110.1Y73 E77 F78 D79Y73-N75 HydrophobicContact CE1-CB 3.9Å; N75-E77 VanDerWaalsContact C-N 3.26Å; N75-E77 PolarHBondContact O-N 3.05Å; N75-E77 WeakPolarHBondContact OD1-CB 3.3Å; N75-E77 PolarHBondContact OD1-N 2.82Å; N75-F78 HydrophobicContact CB-CB 4Å; N75-F78 PolarHBondContact O-N 3.33Å; N75-F78 PolarHBondContact OD1-N 3.22Å; N75-D79 PolarHBondContact O-N 3Å
76L83.9Confident81.6Confident89 Ų8991.7 Ų91.747%0.46648%0.475SS..Hα-helixtrans-63.3-30.8178.6-66.4174.1000112.4R74 D79 V80R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 HydrophobicContact CG-CD2 4.09Å; R74-L76 PolarHBondContact O-N 2.65Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-V80 WeakPolarHBondContact O-CB 3.15Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.27Å; L76-V80 PolarHBondContact O-N 3.2Å
77E80.8Confident81.3Confident154 Ų15493.1 Ų93.172%0.7248%0.484SS*.Hα-helixtrans-65.6-42.7175.9-55.3-174155.700110.9N75 W81N75-E77 VanDerWaalsContact C-N 3.26Å; N75-E77 PolarHBondContact O-N 3.05Å; N75-E77 WeakPolarHBondContact OD1-CB 3.3Å; N75-E77 PolarHBondContact OD1-N 2.82Å; E77-W81 WeakPolarHBondContact O-CB 3.36Å; E77-W81 PolarHBondContact O-N 2.87Å
78F84.1Confident80.5Confident85 Ų8595.6 Ų95.637%0.37349%0.49SS..Hα-helixtrans-68.6-39.6176-178.2-101.8000112.5N75 W81 Q82N75-F78 HydrophobicContact CB-CB 4Å; N75-F78 PolarHBondContact O-N 3.33Å; N75-F78 PolarHBondContact OD1-N 3.22Å; F78-W81 AromaticContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CZ3 4.11Å; F78-W81 AromaticContact CE2-CE3 3.74Å; F78-W81 HydrophobicContact CE2-CE3 3.74Å; F78-W81 AromaticContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CZ-CZ3 4.38Å; F78-W81 PolarHBondContact O-N 2.98Å; F78-Q82 HydrophobicContact CD1-CG 4.14Å; F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 3.77Å; F78-Q82 HydrophobicContact CE2-CG 4.15Å; F78-Q82 HydrophobicContact CG-CG 4.5Å; F78-Q82 HydrophobicContact CZ-CG 3.77Å; F78-Q82 VanDerWaalsContact O-CB 3.3Å; F78-Q82 WeakPolarHBondContact O-CB 3.49Å; F78-Q82 VanDerWaalsContact O-CG 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.25Å; F78-Q82 PolarHBondContact O-N 2.88Å
79D85.1Confident79.5Confident54 Ų5496.8 Ų96.829%0.28949%0.492SS..Hα-helixtrans-62.6-45.7174.8-94.14.3000111.7R74 N75 L76 Q82 D83R74-D79 IonicContact CZ-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.76Å; R74-D79 PolarHBondContact NE-OD2 2.96Å; R74-D79 IonicContact NH2-OD2 2.71Å; R74-D79 PolarHBondContact NH2-OD2 3.33Å; N75-D79 PolarHBondContact O-N 3Å; L76-D79 PolarHBondContact O-N 2.89Å; D79-Q82 PolarHBondContact O-N 3.47Å; D79-D83 PolarHBondContact O-N 3.38Å
80V85.3Confident78.5Confident94 Ų9499.8 Ų99.857%0.5750%0.502SS*.Hα-helixtrans-65.2-46.5175.51710000110.4L76 Q82 D83 T84L76-V80 WeakPolarHBondContact O-CB 3.15Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.27Å; L76-V80 PolarHBondContact O-N 3.2Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 2.83Å; V80-D83 PolarHBondContact O-N 2.92Å; V80-D83 VanDerWaalsContact O-N 3.14Å; V80-T84 WeakPolarHBondContact O-CB 3.44Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 3.31Å; V80-T84 VanDerWaalsContact O-OG1 3.08Å
81W88.4Confident77.3Confident103 Ų103100.2 Ų100.239%0.3949%0.489SS..Hα-helixtrans-57.7-40.4175.7175.578000112.1E77 F78 T84 C85 P216E77-W81 WeakPolarHBondContact O-CB 3.36Å; E77-W81 PolarHBondContact O-N 2.87Å; F78-W81 AromaticContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CZ3 4.11Å; F78-W81 AromaticContact CE2-CE3 3.74Å; F78-W81 HydrophobicContact CE2-CE3 3.74Å; F78-W81 AromaticContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CZ-CZ3 4.38Å; F78-W81 PolarHBondContact O-N 2.98Å; W81-T84 PolarHBondContact O-N 2.79Å; W81-C85 WeakPolarHBondContact O-CB 3.41Å; W81-C85 PolarHBondContact O-N 2.99Å; W81-C85 PolarHBondContact O-SG 2.84Å; W81-C85 VanDerWaalsContact O-SG 3.36Å; W81-P216 HydrophobicContact CH2-CB 4.29Å; W81-P216 HydrophobicContact CH2-CG 4.27Å; W81-P216 HydrophobicContact CZ2-CB 3.81Å; W81-P216 HydrophobicContact CZ2-CG 4.19Å
82Q84.4Confident76.4Confident75 Ų7596.4 Ų96.435%0.3547%0.468SS..Hα-helixtrans-65.9-40.2175.2-79.6-117.27300113.1F78 D79 V80 C85 K86F78-Q82 HydrophobicContact CD1-CG 4.14Å; F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 3.77Å; F78-Q82 HydrophobicContact CE2-CG 4.15Å; F78-Q82 HydrophobicContact CG-CG 4.5Å; F78-Q82 HydrophobicContact CZ-CG 3.77Å; F78-Q82 VanDerWaalsContact O-CB 3.3Å; F78-Q82 WeakPolarHBondContact O-CB 3.49Å; F78-Q82 VanDerWaalsContact O-CG 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.25Å; F78-Q82 PolarHBondContact O-N 2.88Å; D79-Q82 PolarHBondContact O-N 3.47Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 2.83Å; Q82-C85 PolarHBondContact O-N 3.04Å; Q82-K86 WeakPolarHBondContact O-CD 3.48Å; Q82-K86 WeakPolarHBondContact O-CE 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.2Å; Q82-K86 PolarHBondContact O-N 2.9Å; Q82-K86 VanDerWaalsContact O-N 3.13Å
83D81.3Confident76.2Confident83 Ų8397.5 Ų97.544%0.44447%0.466SS..Hα-helixtrans-72.1-36.8175.7-77.7-8.3000111.3D79 V80 K86 E87D79-D83 PolarHBondContact O-N 3.38Å; V80-D83 PolarHBondContact O-N 2.92Å; V80-D83 VanDerWaalsContact O-N 3.14Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.62Å; D83-K86 PolarHBondContact OD1-NZ 3.48Å; D83-E87 WeakPolarHBondContact O-CB 3.49Å; D83-E87 PolarHBondContact O-N 2.77Å
84T79.3Confident76.1Confident70 Ų7089.6 Ų89.643%0.42944%0.436SS..Hα-helixtrans-63.9-37.6169.7-59.20000112.5V80 W81 E87 M88V80-T84 WeakPolarHBondContact O-CB 3.44Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 3.31Å; V80-T84 VanDerWaalsContact O-OG1 3.08Å; W81-T84 PolarHBondContact O-N 2.79Å; T84-E87 PolarHBondContact O-N 3.34Å; T84-M88 WeakPolarHBondContact O-CB 3.45Å; T84-M88 PolarHBondContact O-N 3.19Å
85C77.1Confident76.2Confident28 Ų2890.5 Ų90.519%0.18945%0.45CS..Hα-helixtrans-66.5-36.9174.6-80.80000112.3W81 Q82 E87 Q89W81-C85 WeakPolarHBondContact O-CB 3.41Å; W81-C85 PolarHBondContact O-N 2.99Å; W81-C85 PolarHBondContact O-SG 2.84Å; W81-C85 VanDerWaalsContact O-SG 3.36Å; Q82-C85 PolarHBondContact O-N 3.04Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-Q89 WeakPolarHBondContact O-CB 3.2Å; C85-Q89 VanDerWaalsContact O-CG 3.31Å; C85-Q89 WeakPolarHBondContact O-CG 3.49Å; C85-Q89 PolarHBondContact O-N 2.98Å
86K74.4Confident76Confident108 Ų10890.5 Ų90.547%0.4745%0.447SS..Hα-helixtrans-67.6-34.9172-65.6159.7-150.6155.90111.7Q82 D83 K90Q82-K86 WeakPolarHBondContact O-CD 3.48Å; Q82-K86 WeakPolarHBondContact O-CE 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.2Å; Q82-K86 PolarHBondContact O-N 2.9Å; Q82-K86 VanDerWaalsContact O-N 3.13Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.62Å; D83-K86 PolarHBondContact OD1-NZ 3.48Å; K86-K90 WeakPolarHBondContact O-CB 3.42Å; K86-K90 PolarHBondContact O-N 2.92Å
87E71.8Confident75.8Confident123 Ų12390.1 Ų90.158%0.57546%0.457SS*.Hα-helixtrans-73-36.3176.5-173.6158.2-132.900112.4D83 T84 C85 K90 T91D83-E87 WeakPolarHBondContact O-CB 3.49Å; D83-E87 PolarHBondContact O-N 2.77Å; T84-E87 PolarHBondContact O-N 3.34Å; C85-E87 VanDerWaalsContact C-N 3.33Å; E87-K90 CarbonylContact O-C 3.33Å; E87-K90 VanDerWaalsContact O-CA 3.31Å; E87-K90 WeakPolarHBondContact O-CA 3.47Å; E87-K90 VanDerWaalsContact O-CB 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-T91 PolarHBondContact O-N 3.16Å
88M61.7Low75.8Confident118 Ų11886.4 Ų86.458%0.58146%0.46SS*.Hα-helixtrans-71.2-35.5173.8-167.6168.665.700111.9T84 K90 T91T84-M88 WeakPolarHBondContact O-CB 3.45Å; T84-M88 PolarHBondContact O-N 3.19Å; M88-K90 PolarHBondContact O-N 2.79Å; M88-K90 VanDerWaalsContact O-N 3.1Å; M88-T91 PolarHBondContact O-N 3.24Å; M88-T91 VanDerWaalsContact O-N 3.16Å; M88-T91 PolarHBondContact O-OG1 2.92Å
89Q60.3Low75.8Confident146 Ų14689.1 Ų89.168%0.68247%0.468SS*.THydrogen-bonded Turntrans-62.8-13165.9-74.6173.6-0.800113.2C85C85-Q89 WeakPolarHBondContact O-CB 3.2Å; C85-Q89 VanDerWaalsContact O-CG 3.31Å; C85-Q89 WeakPolarHBondContact O-CG 3.49Å; C85-Q89 PolarHBondContact O-N 2.98Å
90K58.6Low75.9Confident128 Ų12891.3 Ų91.356%0.55748%0.476SS*.THydrogen-bonded Turntrans-1065.6178.9-164.9-151.6167.3-163.50112.5K86 E87 M88 Y93K86-K90 WeakPolarHBondContact O-CB 3.42Å; K86-K90 PolarHBondContact O-N 2.92Å; E87-K90 CarbonylContact O-C 3.33Å; E87-K90 VanDerWaalsContact O-CA 3.31Å; E87-K90 WeakPolarHBondContact O-CA 3.47Å; E87-K90 VanDerWaalsContact O-CB 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.37Å; M88-K90 PolarHBondContact O-N 2.79Å; M88-K90 VanDerWaalsContact O-N 3.1Å; K90-Y93 WeakPolarHBondContact O-CD1 3.42Å; K90-Y93 VanDerWaalsContact O-CE1 3.24Å; K90-Y93 WeakPolarHBondContact O-CE1 3.34Å
91T55.7Low75.9Confident88 Ų8887.4 Ų87.454%0.5445%0.451SS..THydrogen-bonded Turntrans-85.6-36.5164.655.50000111.5E87 M88 Y93E87-T91 PolarHBondContact O-N 3.16Å; M88-T91 PolarHBondContact O-N 3.24Å; M88-T91 VanDerWaalsContact O-N 3.16Å; M88-T91 PolarHBondContact O-OG1 2.92Å; T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3.12Å
92D65.2Low75.8Confident82 Ų8285.5 Ų85.544%0.43945%0.446SS..SBendtrans-93.961.1-166.9-62.410.6000111.4L103D92-L103 HydrophobicContact CB-CD1 3.8Å; D92-L103 HydrophobicContact CB-CG 4.39Å
93Y74.9Confident75.9Confident92 Ų9285.8 Ų85.836%0.36145%0.45SS..EExtended strand (participates in β ladder)trans-124.8145.1173.274-88.1000112.1K90 T91 V95 Q100 Y101 F102K90-Y93 WeakPolarHBondContact O-CD1 3.42Å; K90-Y93 VanDerWaalsContact O-CE1 3.24Å; K90-Y93 WeakPolarHBondContact O-CE1 3.34Å; T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3.12Å; Y93-V95 HydrophobicContact CD2-CG2 4.08Å; Y93-V95 HydrophobicContact CE2-CG2 3.76Å; Y93-Q100 HydrophobicContact CD2-CB 4.16Å; Y93-Q100 HydrophobicContact CD2-CG 3.81Å; Y93-Q100 VanDerWaalsContact CD2-NE2 3.33Å; Y93-Q100 HydrophobicContact CE2-CG 3.98Å; Y93-Y101 CarbonylContact C-O 3.56Å; Y93-Y101 WeakPolarHBondContact CA-O 3.38Å; Y93-Y101 WeakPolarHBondContact CB-O 3.45Å; Y93-F102 HydrophobicContact CD1-CE1 4.23Å; Y93-F102 HydrophobicContact CG-CE1 4.14Å
94M79.2Confident76.2Confident25 Ų2584.1 Ų84.112%0.12345%0.452CS..EExtended strand (participates in β ladder)trans-101.9157.2166.660.3170.769.200110.9Q100 Y101 V125 V132 L147M94-Q100 CarbonylContact O-C 3.56Å; M94-Q100 WeakPolarHBondContact O-CA 3.3Å; M94-Y101 HydrophobicContact CG-CD2 4.4Å; M94-Y101 PolarHBondContact N-O 2.95Å; M94-Y101 PolarHBondContact O-N 3.06Å; M94-V125 HydrophobicContact CB-CG1 3.83Å; M94-V125 HydrophobicContact CE-CB 4.37Å; M94-V125 HydrophobicContact CE-CG1 4.07Å; M94-V125 HydrophobicContact CE-CG2 4.38Å; M94-V125 HydrophobicContact CG-CG1 4.14Å; M94-V132 HydrophobicContact CE-CB 3.81Å; M94-V132 HydrophobicContact CE-CG2 3.58Å; M94-V132 HydrophobicContact SD-CB 4.39Å; M94-V132 HydrophobicContact SD-CG2 4.33Å; M94-L147 HydrophobicContact SD-CD2 3.67Å
95V83.8Confident76.7Confident96 Ų9683.6 Ų83.658%0.58245%0.447SS*.EExtended strand (participates in β ladder)trans-111.3114.9168.5-175.40000109Y93 R99 Q100Y93-V95 HydrophobicContact CD2-CG2 4.08Å; Y93-V95 HydrophobicContact CE2-CG2 3.76Å; V95-R99 CarbonylContact C-O 3.59Å; V95-R99 VanDerWaalsContact CA-O 3.3Å; V95-R99 WeakPolarHBondContact CA-O 3Å; V95-Q100 HydrophobicContact CG2-CG 4.18Å
96F80.8Confident77.4Confident60 Ų6087.9 Ų87.926%0.26346%0.462SS..EExtended strand (participates in β ladder)trans-131.5140.7173.6176.5-104.5000110.7G98 R99 Y101 L147F96-G98 PolarHBondContact O-N 3Å; F96-R99 PolarHBondContact N-O 3.06Å; F96-R99 PolarHBondContact O-N 2.91Å; F96-Y101 HydrophobicContact CB-CD2 4.27Å; F96-Y101 HydrophobicContact CB-CE2 3.94Å; F96-Y101 HydrophobicContact CD1-CE2 4.39Å; F96-L147 HydrophobicContact CB-CD1 4.35Å; F96-L147 HydrophobicContact CB-CD2 4.4Å; F96-L147 HydrophobicContact CD1-CB 4Å; F96-L147 HydrophobicContact CD2-CB 3.66Å; F96-L147 HydrophobicContact CD2-CD1 3.75Å; F96-L147 HydrophobicContact CD2-CG 4.22Å; F96-L147 HydrophobicContact CE1-CB 3.92Å; F96-L147 WeakPolarHBondContact CE1-O 3.42Å; F96-L147 HydrophobicContact CE2-CB 3.57Å; F96-L147 HydrophobicContact CE2-CD1 4.35Å; F96-L147 HydrophobicContact CG-CB 3.88Å; F96-L147 HydrophobicContact CG-CD1 4.1Å; F96-L147 HydrophobicContact CG-CD2 4.27Å; F96-L147 HydrophobicContact CG-CG 4.31Å; F96-L147 HydrophobicContact CZ-CB 3.71Å; F96-L147 WeakPolarHBondContact CZ-O 3.28Å
97A80.5Confident78.2Confident81 Ų8182.8 Ų82.867%0.66944%0.44SS*.THydrogen-bonded Turntrans48.233.8-175.300000114.2R99A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.89Å
98G81Confident79.3Confident76 Ų7680.1 Ų80.178%0.78443%0.427SS*.THydrogen-bonded Turntrans74.811.2-177.600000115.5F96F96-G98 PolarHBondContact O-N 3Å
99R83.5Confident80.8Confident141 Ų14174.5 Ų74.553%0.53240%0.4SS..EExtended strand (participates in β ladder)trans-115.3141.2177.5-67.2177.5175.1-93-3.8110.9V95 F96 A97 Y101V95-R99 CarbonylContact C-O 3.59Å; V95-R99 VanDerWaalsContact CA-O 3.3Å; V95-R99 WeakPolarHBondContact CA-O 3Å; F96-R99 PolarHBondContact N-O 3.06Å; F96-R99 PolarHBondContact O-N 2.91Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.89Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact O-CD2 3.41Å
100Q85.8Confident82.4Confident101 Ų10170.8 Ų70.847%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-77.5143.2166.7-66179.1-85.200109.8Y93 M94 V95 F102Y93-Q100 HydrophobicContact CD2-CB 4.16Å; Y93-Q100 HydrophobicContact CD2-CG 3.81Å; Y93-Q100 VanDerWaalsContact CD2-NE2 3.33Å; Y93-Q100 HydrophobicContact CE2-CG 3.98Å; M94-Q100 CarbonylContact O-C 3.56Å; M94-Q100 WeakPolarHBondContact O-CA 3.3Å; V95-Q100 HydrophobicContact CG2-CG 4.18Å; Q100-F102 HydrophobicContact CB-CE2 3.96Å; Q100-F102 HydrophobicContact CB-CZ 4.23Å
101Y85.5Confident83.9Confident11 Ų1168 Ų684%0.04337%0.37CS..EExtended strand (participates in β ladder)trans-133.6129.2174.3-65.9-88.5000109.5Y93 M94 F96 R99 D105 I122 L150 P152Y93-Y101 CarbonylContact C-O 3.56Å; Y93-Y101 WeakPolarHBondContact CA-O 3.38Å; Y93-Y101 WeakPolarHBondContact CB-O 3.45Å; M94-Y101 HydrophobicContact CG-CD2 4.4Å; M94-Y101 PolarHBondContact N-O 2.95Å; M94-Y101 PolarHBondContact O-N 3.06Å; F96-Y101 HydrophobicContact CB-CD2 4.27Å; F96-Y101 HydrophobicContact CB-CE2 3.94Å; F96-Y101 HydrophobicContact CD1-CE2 4.39Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact O-CD2 3.41Å; Y101-D105 WeakPolarHBondContact CA-OD2 3.45Å; Y101-I122 HydrophobicContact CD1-CD1 3.64Å; Y101-I122 HydrophobicContact CG-CD1 3.98Å; Y101-L150 HydrophobicContact CD1-CD2 4.2Å; Y101-L150 HydrophobicContact CE1-CD2 3.47Å; Y101-L150 VanDerWaalsContact CE1-CD2 3.47Å; Y101-P152 HydrophobicContact CE1-CB 3.86Å; Y101-P152 WeakPolarHBondContact OH-CD 3.35Å
102F86.5Confident85.5Confident63 Ų6369.9 Ų69.928%0.27637%0.373SS..EExtended strand (participates in β ladder)trans-108.6161.7-176.7-60.2-92.1000111.7Y93 Q100 G104 D105Y93-F102 HydrophobicContact CD1-CE1 4.23Å; Y93-F102 HydrophobicContact CG-CE1 4.14Å; Q100-F102 HydrophobicContact CB-CE2 3.96Å; Q100-F102 HydrophobicContact CB-CZ 4.23Å; F102-G104 PolarHBondContact O-N 3.31Å; F102-D105 PolarHBondContact N-OD2 2.83Å; F102-D105 WeakPolarHBondContact O-CB 3.37Å; F102-D105 PolarHBondContact O-N 3.01Å; F102-D105 VanDerWaalsContact O-N 3.16Å
103L87.8Confident86.4Confident82 Ų8271.1 Ų71.143%0.42939%0.385SS..THydrogen-bonded Turntrans-59.1129.5167.7-65.9169.8000110.4D92 V125D92-L103 HydrophobicContact CB-CD1 3.8Å; D92-L103 HydrophobicContact CB-CG 4.39Å; L103-V125 HydrophobicContact CD2-CB 4.29Å; L103-V125 HydrophobicContact CD2-CG2 3.76Å; L103-V125 HydrophobicContact CG-CG2 4.12Å
104G86.6Confident86.8Confident48 Ų4876.5 Ų76.550%0.49541%0.411SS..THydrogen-bonded Turntrans89.3-6.1-175.800000115.4F102 K106 I122F102-G104 PolarHBondContact O-N 3.31Å; G104-K106 PolarHBondContact O-N 3.31Å; G104-I122 PolarHBondContact N-O 3.45Å
105D89.5Confident87.2Confident59 Ų5976.4 Ų76.432%0.31642%0.416SS..  trans-61.5136.6178.3-91.1-20.2000111.9Y101 F102 C107 F121 I122Y101-D105 WeakPolarHBondContact CA-OD2 3.45Å; F102-D105 PolarHBondContact N-OD2 2.83Å; F102-D105 WeakPolarHBondContact O-CB 3.37Å; F102-D105 PolarHBondContact O-N 3.01Å; F102-D105 VanDerWaalsContact O-N 3.16Å; D105-C107 PolarHBondContact O-N 3.44Å; D105-F121 WeakPolarHBondContact O-CA 3.27Å; D105-I122 HydrophobicContact CB-CD1 4.22Å; D105-I122 PolarHBondContact O-N 2.89Å
106K92.4Very high87.5Confident118 Ų11877.4 Ų77.451%0.51341%0.412SS..EExtended strand (participates in β ladder)trans-74.4123.3172.7-72.2-162172.8-149.80110.5G104 F121 V153G104-K106 PolarHBondContact O-N 3.31Å; K106-F121 HydrophobicContact CD-CE1 4.21Å; K106-F121 HydrophobicContact CD-CZ 4.5Å; K106-F121 VanDerWaalsContact CE-CE1 3.43Å; K106-F121 HydrophobicContact CG-CD1 4.04Å; K106-F121 HydrophobicContact CG-CE1 3.78Å; K106-F121 HydrophobicContact CG-CZ 4.42Å; K106-V153 HydrophobicContact CB-CB 4.19Å; K106-V153 WeakPolarHBondContact O-CB 3.41Å; K106-V153 PolarHBondContact O-N 2.79Å
107C91.8Very high88.1Confident1 Ų177.4 Ų77.41%0.00741%0.412CS..EExtended strand (participates in β ladder)trans-128.7167.3174.6640000110.8D105 A120 I122 L150 K151D105-C107 PolarHBondContact O-N 3.44Å; C107-A120 PolarHBondContact N-O 2.9Å; C107-A120 PolarHBondContact O-N 2.98Å; C107-A120 VanDerWaalsContact O-O 3.06Å; C107-I122 HydrophobicContact CB-CG1 4.45Å; C107-L150 HydrophobicContact CB-CD1 3.94Å; C107-L150 HydrophobicContact CB-CD2 4.02Å; C107-L150 HydrophobicContact CB-CG 3.87Å; C107-K151 CarbonylContact C-O 3.57Å; C107-K151 WeakPolarHBondContact CA-O 3.17Å; C107-K151 WeakPolarHBondContact CB-O 3.34Å
108Q93.8Very high88.7Confident67 Ų6775.7 Ų75.731%0.31339%0.389SS..EExtended strand (participates in β ladder)trans-116.9126.5167.8-93178.3-1.100108.4F117 Y118 N119 K151 V153Q108-F117 HydrophobicContact CB-CB 4.22Å; Q108-F117 HydrophobicContact CB-CD1 4.24Å; Q108-Y118 CarbonylContact C-O 3.51Å; Q108-Y118 VanDerWaalsContact CA-O 3.27Å; Q108-Y118 WeakPolarHBondContact CA-O 3.34Å; Q108-N119 WeakPolarHBondContact CG-OD1 3.31Å; Q108-N119 PolarHBondContact NE2-OD1 3.1Å; Q108-K151 HydrophobicContact CB-CB 4.27Å; Q108-K151 PolarHBondContact N-O 2.98Å; Q108-K151 PolarHBondContact O-N 3.38Å; Q108-V153 HydrophobicContact CB-CG2 4.24Å; Q108-V153 HydrophobicContact CG-CG2 3.77Å
109V93.6Very high89.4Confident0 Ų075.1 Ų75.10%037%0.368CS..EExtended strand (participates in β ladder)trans-120.9145.5-175.4-71.10000111.7F117 Y118 A120 V134 I136 V145 D149 L150V109-F117 CarbonylContact O-C 3.5Å; V109-F117 WeakPolarHBondContact O-CA 3.35Å; V109-Y118 PolarHBondContact N-O 3.22Å; V109-Y118 PolarHBondContact O-N 3.16Å; V109-A120 HydrophobicContact CG1-CB 4.46Å; V109-A120 HydrophobicContact CG2-CB 3.64Å; V109-V134 HydrophobicContact CB-CG2 4.48Å; V109-V134 HydrophobicContact CG1-CG1 4.23Å; V109-V134 HydrophobicContact CG1-CG2 3.98Å; V109-V134 HydrophobicContact CG2-CG2 4.01Å; V109-I136 HydrophobicContact CG2-CD1 3.75Å; V109-I136 HydrophobicContact CG2-CG1 3.9Å; V109-V145 HydrophobicContact CB-CB 4.47Å; V109-V145 HydrophobicContact CB-CG1 4.02Å; V109-V145 HydrophobicContact CB-CG2 4.12Å; V109-V145 HydrophobicContact CG1-CB 4.28Å; V109-V145 HydrophobicContact CG1-CG1 4.08Å; V109-V145 HydrophobicContact CG1-CG2 4.25Å; V109-V145 HydrophobicContact CG2-CG2 4.4Å; V109-D149 WeakPolarHBondContact CA-O 3.45Å; V109-L150 HydrophobicContact CG1-CB 4.31Å; V109-L150 HydrophobicContact CG1-CD1 4.28Å; V109-L150 HydrophobicContact CG1-CG 4.2Å
110R93.1Very high89.9Confident68 Ų6868.5 Ų68.526%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-114.5118.8176.3176.117770.3158.47.7109.7E112 P113 G115 F117 D149R110-E112 WeakPolarHBondContact CD-O 3.31Å; R110-E112 WeakPolarHBondContact CG-O 3.44Å; R110-P113 PolarHBondContact NH1-O 2.96Å; R110-G115 WeakPolarHBondContact CD-O 3.47Å; R110-F117 HydrophobicContact CB-CD1 3.85Å; R110-F117 HydrophobicContact CB-CE1 3.6Å; R110-F117 HydrophobicContact CB-CE2 4.31Å; R110-F117 HydrophobicContact CB-CG 4.3Å; R110-F117 HydrophobicContact CB-CZ 3.83Å; R110-F117 HydrophobicContact CG-CZ 4.49Å; R110-D149 HydrophobicContact CB-CB 4.27Å; R110-D149 IonicContact CZ-OD1 2.8Å; R110-D149 PolarHBondContact N-O 3.36Å; R110-D149 VanDerWaalsContact N-O 3.07Å; R110-D149 IonicContact NE-OD1 2.63Å; R110-D149 PolarHBondContact NE-OD1 3.03Å; R110-D149 IonicContact NH2-OD1 2.65Å; R110-D149 PolarHBondContact NH2-OD1 3.35Å; R110-D149 WeakPolarHBondContact O-CB 3.3Å
111L90.8Very high90.2Very high68 Ų6866.6 Ų66.636%0.35633%0.334SS..SBendtrans-78.8-36.3-179.8-66.8178.2000112.9Y118 I136 L139 H143 V145L111-Y118 HydrophobicContact CD1-CD2 4.47Å; L111-Y118 HydrophobicContact CD1-CE2 4.16Å; L111-Y118 HydrophobicContact CG-CD2 4.41Å; L111-Y118 HydrophobicContact CG-CE2 4.32Å; L111-I136 HydrophobicContact CD1-CD1 3.93Å; L111-I136 HydrophobicContact CD2-CD1 3.77Å; L111-I136 HydrophobicContact CG-CD1 3.99Å; L111-L139 HydrophobicContact CD1-CD1 3.77Å; L111-H143 HydrophobicContact CD2-CB 4.08Å; L111-V145 HydrophobicContact CD2-CG2 4.01Å
112E89.4Confident90.5Very high129 Ų12966.1 Ų66.160%0.60333%0.332SS*.SBendtrans-112.7140.2-178.1-63178.1170.500111R110 K114 G115R110-E112 WeakPolarHBondContact CD-O 3.31Å; R110-E112 WeakPolarHBondContact CG-O 3.44Å; E112-K114 PolarHBondContact O-N 2.84Å; E112-G115 PolarHBondContact O-N 2.8Å
113P83.8Confident90.7Very high108 Ų10866.9 Ų66.970%0.70134%0.337SS*.THydrogen-bonded Turntrans-56.3-12-178.5-28.736000116.9R110R110-P113 PolarHBondContact NH1-O 2.96Å
114K83.1Confident90.7Very high204 Ų20466.9 Ų66.989%0.88733%0.334SS*.THydrogen-bonded Turntrans-127.52.2173.4-63.9-176.5179.71790114.1E112E112-K114 PolarHBondContact O-N 2.84Å
115G87.3Confident90.3Very high23 Ų2366.2 Ų66.224%0.23732%0.32CS..SBendtrans-79.5175.7-176.300000114R110 E112R110-G115 WeakPolarHBondContact CD-O 3.47Å; E112-G115 PolarHBondContact O-N 2.8Å
116K91.9Very high89.2Confident117 Ų11766.4 Ų66.451%0.50934%0.337SS..PPolyproline II helixtrans-66.8158.9174.258.7161.5167.7159.30112.3Y118 E138K116-Y118 HydrophobicContact CD-CD1 4.46Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CG-CD2 4.46Å; K116-Y118 HydrophobicContact CG-CE1 4.32Å; K116-Y118 HydrophobicContact CG-CE2 3.96Å; K116-E138 IonicContact NZ-OE2 2.67Å; K116-E138 PolarHBondContact NZ-OE2 2.82Å
117F92.3Very high88.4Confident60 Ų6064.2 Ų64.226%0.26333%0.333SS..EExtended strand (participates in β ladder)trans-84.3132.6164.4-73.8-92000109Q108 V109 R110 K151Q108-F117 HydrophobicContact CB-CB 4.22Å; Q108-F117 HydrophobicContact CB-CD1 4.24Å; V109-F117 CarbonylContact O-C 3.5Å; V109-F117 WeakPolarHBondContact O-CA 3.35Å; R110-F117 HydrophobicContact CB-CD1 3.85Å; R110-F117 HydrophobicContact CB-CE1 3.6Å; R110-F117 HydrophobicContact CB-CE2 4.31Å; R110-F117 HydrophobicContact CB-CG 4.3Å; R110-F117 HydrophobicContact CB-CZ 3.83Å; R110-F117 HydrophobicContact CG-CZ 4.49Å; F117-K151 HydrophobicContact CD1-CD 3.91Å; F117-K151 HydrophobicContact CD1-CG 4.37Å; F117-K151 HydrophobicContact CE1-CD 3.56Å; F117-K151 HydrophobicContact CE1-CG 3.87Å; F117-K151 HydrophobicContact CE2-CD 4.42Å; F117-K151 HydrophobicContact CG-CD 4.49Å; F117-K151 HydrophobicContact CZ-CD 3.87Å; F117-K151 HydrophobicContact CZ-CG 4.47Å
118Y93.4Very high87.6Confident46 Ų4668.5 Ų68.518%0.1835%0.353CS..EExtended strand (participates in β ladder)trans-103.7145.9174.9-61-96.3000109.7Q108 V109 L111 K116 I136 E138Q108-Y118 CarbonylContact C-O 3.51Å; Q108-Y118 VanDerWaalsContact CA-O 3.27Å; Q108-Y118 WeakPolarHBondContact CA-O 3.34Å; V109-Y118 PolarHBondContact N-O 3.22Å; V109-Y118 PolarHBondContact O-N 3.16Å; L111-Y118 HydrophobicContact CD1-CD2 4.47Å; L111-Y118 HydrophobicContact CD1-CE2 4.16Å; L111-Y118 HydrophobicContact CG-CD2 4.41Å; L111-Y118 HydrophobicContact CG-CE2 4.32Å; K116-Y118 HydrophobicContact CD-CD1 4.46Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CG-CD2 4.46Å; K116-Y118 HydrophobicContact CG-CE1 4.32Å; K116-Y118 HydrophobicContact CG-CE2 3.96Å; Y118-I136 HydrophobicContact CD1-CG2 4.21Å; Y118-I136 HydrophobicContact CG-CG2 4.08Å; Y118-E138 HydrophobicContact CD1-CB 3.99Å; Y118-E138 HydrophobicContact CD1-CG 4.4Å; Y118-E138 WeakPolarHBondContact CD1-OE2 3.46Å
119N94.6Very high86.8Confident64 Ų6470.8 Ų70.834%0.34238%0.376SS..EExtended strand (participates in β ladder)trans-71.5135.8170.3-64.9-35.7000110.2Q108 E137Q108-N119 WeakPolarHBondContact CG-OD1 3.31Å; Q108-N119 PolarHBondContact NE2-OD1 3.1Å; N119-E137 HydrophobicContact CB-CB 4.41Å; N119-E137 WeakPolarHBondContact O-CB 3.29Å; N119-E137 PolarHBondContact O-N 2.84Å
120A94.8Very high86.4Confident2 Ų275.7 Ų75.72%0.01741%0.406CS..EExtended strand (participates in β ladder)trans-149.5167-177.100000112.7C107 V109 V134 F135 I136C107-A120 PolarHBondContact N-O 2.9Å; C107-A120 PolarHBondContact O-N 2.98Å; C107-A120 VanDerWaalsContact O-O 3.06Å; V109-A120 HydrophobicContact CG1-CB 4.46Å; V109-A120 HydrophobicContact CG2-CB 3.64Å; A120-V134 HydrophobicContact CB-CB 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.03Å; A120-F135 CarbonylContact C-O 3.55Å; A120-F135 WeakPolarHBondContact CA-O 3.35Å; A120-F135 VanDerWaalsContact CB-O 3.3Å; A120-F135 WeakPolarHBondContact CB-O 3.47Å; A120-I136 HydrophobicContact CB-CG1 4.1Å
121F93Very high86.2Confident60 Ų6073 Ų7326%0.26340%0.399SS..EExtended strand (participates in β ladder)trans-123.5131178.3-60.8-101.5000109.3D105 K106 Q123 V134 F135 E137D105-F121 WeakPolarHBondContact O-CA 3.27Å; K106-F121 HydrophobicContact CD-CE1 4.21Å; K106-F121 HydrophobicContact CD-CZ 4.5Å; K106-F121 VanDerWaalsContact CE-CE1 3.43Å; K106-F121 HydrophobicContact CG-CD1 4.04Å; K106-F121 HydrophobicContact CG-CE1 3.78Å; K106-F121 HydrophobicContact CG-CZ 4.42Å; F121-Q123 PolarHBondContact O-N 2.78Å; F121-V134 CarbonylContact O-C 3.58Å; F121-V134 VanDerWaalsContact O-CA 3.25Å; F121-V134 WeakPolarHBondContact O-CA 3.22Å; F121-V134 WeakPolarHBondContact O-CB 3.27Å; F121-F135 PolarHBondContact N-O 2.77Å; F121-F135 PolarHBondContact O-N 3.46Å; F121-E137 HydrophobicContact CE2-CB 4.21Å; F121-E137 HydrophobicContact CE2-CG 4.31Å
122I91.7Very high86.2Confident2 Ų269.8 Ų69.81%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-66.7123.9175-64.5178000108.7Y101 G104 D105 C107 V125 V132 V134 L150Y101-I122 HydrophobicContact CD1-CD1 3.64Å; Y101-I122 HydrophobicContact CG-CD1 3.98Å; G104-I122 PolarHBondContact N-O 3.45Å; D105-I122 HydrophobicContact CB-CD1 4.22Å; D105-I122 PolarHBondContact O-N 2.89Å; C107-I122 HydrophobicContact CB-CG1 4.45Å; I122-V125 HydrophobicContact CG2-CG2 3.63Å; I122-V132 HydrophobicContact CG2-CG2 3.97Å; I122-V134 HydrophobicContact CG1-CG1 4.21Å; I122-L150 HydrophobicContact CD1-CD1 4.1Å; I122-L150 HydrophobicContact CG1-CD1 4.29Å
123Q90.7Very high86.3Confident79 Ų7964.6 Ų64.637%0.36936%0.359SS..  trans-123.6-11-169.9-147.7-17753.500113.6F121 T133 F135 K142F121-Q123 PolarHBondContact O-N 2.78Å; Q123-T133 PolarHBondContact N-O 3.13Å; Q123-F135 HydrophobicContact CB-CB 4.48Å; Q123-K142 VanDerWaalsContact OE1-CD 3.23Å
124E87.8Confident86.8Confident82 Ų8259.4 Ų59.438%0.38333%0.326SS..  trans-149.4147.4170.2-160.3178-139.800109T127 V132 T133E124-T127 VanDerWaalsContact CD-CG2 3.45Å; E124-T127 HydrophobicContact CG-CG2 3.99Å; E124-T127 WeakPolarHBondContact OE1-CG2 3.24Å; E124-T127 PolarHBondContact OE2-OG1 2.96Å; E124-V132 WeakPolarHBondContact O-CG2 3.33Å; E124-T133 HydrophobicContact CB-CG2 4.49Å; E124-T133 PolarHBondContact N-O 3.3Å; E124-T133 PolarHBondContact OE2-OG1 3.12Å
125V78Confident87.4Confident33 Ų3352.8 Ų52.820%0.230%0.297CS..  trans-136.8133.7-175.1172.10000108.7M94 L103 I122M94-V125 HydrophobicContact CB-CG1 3.83Å; M94-V125 HydrophobicContact CE-CB 4.37Å; M94-V125 HydrophobicContact CE-CG1 4.07Å; M94-V125 HydrophobicContact CE-CG2 4.38Å; M94-V125 HydrophobicContact CG-CG1 4.14Å; L103-V125 HydrophobicContact CD2-CB 4.29Å; L103-V125 HydrophobicContact CD2-CG2 3.76Å; L103-V125 HydrophobicContact CG-CG2 4.12Å; I122-V125 HydrophobicContact CG2-CG2 3.63Å
126G66Low87.7Confident64 Ų6451.7 Ų51.766%0.6629%0.286SS*.SBendtrans90.4-7.2170.400000117.1H128G126-H128 VanDerWaalsContact C-N 3.31Å; G126-H128 PolarHBondContact O-N 2.84Å
127T74.6Confident87.8Confident72 Ų7251 Ų5144%0.44228%0.284SS..SBendtrans-66.3-31.2174.742.40000113.5E124E124-T127 VanDerWaalsContact CD-CG2 3.45Å; E124-T127 HydrophobicContact CG-CG2 3.99Å; E124-T127 WeakPolarHBondContact OE1-CG2 3.24Å; E124-T127 PolarHBondContact OE2-OG1 2.96Å
128H75.6Confident87.7Confident90 Ų9052.7 Ų52.742%0.41729%0.293SS..  trans-132.4142.9178-58-76.5000110.8G126 A131 L144G126-H128 VanDerWaalsContact C-N 3.31Å; G126-H128 PolarHBondContact O-N 2.84Å; H128-A131 HydrophobicContact CB-CB 4.18Å; H128-L144 VanDerWaalsContact CD2-CD1 3.49Å; H128-L144 WeakPolarHBondContact CD2-CD1 3.17Å
129S76.7Confident87.5Confident115 Ų11554 Ų5480%0.80430%0.303SS*.SBendtrans-84.5-14-178.854.10000114.2
130T85Confident87.4Confident103 Ų10353.1 Ų53.163%0.63231%0.309SS*.SBendtrans-125.6-3.6-175.753.70000113.7L147T130-L147 PolarHBondContact O-N 3.5Å
131A89.3Confident87.3Confident12 Ų1258.8 Ų58.810%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-144.9166.3-17700000110.8H128 L144 V145H128-A131 HydrophobicContact CB-CB 4.18Å; A131-L144 HydrophobicContact CB-CD1 3.65Å; A131-L144 HydrophobicContact CB-CG 4Å; A131-V145 CarbonylContact C-O 3.58Å; A131-V145 WeakPolarHBondContact CA-O 3.45Å; A131-V145 WeakPolarHBondContact CB-O 3.48Å
132V90.9Very high87.3Confident1 Ų162.5 Ų62.51%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-145.3139.4-175.756.90000111M94 I122 E124 V134 V145 L147 L150M94-V132 HydrophobicContact CE-CB 3.81Å; M94-V132 HydrophobicContact CE-CG2 3.58Å; M94-V132 HydrophobicContact SD-CB 4.39Å; M94-V132 HydrophobicContact SD-CG2 4.33Å; I122-V132 HydrophobicContact CG2-CG2 3.97Å; E124-V132 WeakPolarHBondContact O-CG2 3.33Å; V132-V134 HydrophobicContact CG1-CG1 4.08Å; V132-V134 HydrophobicContact CG2-CG1 4.33Å; V132-V145 PolarHBondContact N-O 3.14Å; V132-V145 PolarHBondContact O-N 3.08Å; V132-L147 HydrophobicContact CB-CD2 3.95Å; V132-L147 HydrophobicContact CG1-CD2 3.72Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å
133T92.4Very high87.2Confident19 Ų1964.7 Ų64.712%0.11736%0.361CS..EExtended strand (participates in β ladder)trans-83.2116.8176.1-41.50000109.5Q123 E124 K142 H143Q123-T133 PolarHBondContact N-O 3.13Å; E124-T133 HydrophobicContact CB-CG2 4.49Å; E124-T133 PolarHBondContact N-O 3.3Å; E124-T133 PolarHBondContact OE2-OG1 3.12Å; T133-K142 HydrophobicContact CG2-CB 4.3Å; T133-H143 WeakPolarHBondContact CA-O 3.21Å
134V93.8Very high87.3Confident0 Ų065.3 Ų65.30%037%0.366CS..EExtended strand (participates in β ladder)trans-120.2150.6178.2-55.60000110.8V109 A120 F121 I122 V132 I136 K142 H143 V145 L150V109-V134 HydrophobicContact CB-CG2 4.48Å; V109-V134 HydrophobicContact CG1-CG1 4.23Å; V109-V134 HydrophobicContact CG1-CG2 3.98Å; V109-V134 HydrophobicContact CG2-CG2 4.01Å; A120-V134 HydrophobicContact CB-CB 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.03Å; F121-V134 CarbonylContact O-C 3.58Å; F121-V134 VanDerWaalsContact O-CA 3.25Å; F121-V134 WeakPolarHBondContact O-CA 3.22Å; F121-V134 WeakPolarHBondContact O-CB 3.27Å; I122-V134 HydrophobicContact CG1-CG1 4.21Å; V132-V134 HydrophobicContact CG1-CG1 4.08Å; V132-V134 HydrophobicContact CG2-CG1 4.33Å; V134-I136 HydrophobicContact CG2-CG1 4.05Å; V134-K142 CarbonylContact O-C 3.51Å; V134-K142 WeakPolarHBondContact O-CA 3.3Å; V134-H143 PolarHBondContact N-O 2.82Å; V134-H143 PolarHBondContact O-N 2.79Å; V134-V145 HydrophobicContact CG2-CG2 3.79Å; V134-L150 HydrophobicContact CG1-CD1 4.36Å
135F94.8Very high87.5Confident65 Ų6561.5 Ų61.529%0.28535%0.349SS..EExtended strand (participates in β ladder)trans-95119.8168.5-177.5-92.4000109.3A120 F121 Q123 G140 K142A120-F135 CarbonylContact C-O 3.55Å; A120-F135 WeakPolarHBondContact CA-O 3.35Å; A120-F135 VanDerWaalsContact CB-O 3.3Å; A120-F135 WeakPolarHBondContact CB-O 3.47Å; F121-F135 PolarHBondContact N-O 2.77Å; F121-F135 PolarHBondContact O-N 3.46Å; Q123-F135 HydrophobicContact CB-CB 4.48Å; F135-G140 WeakPolarHBondContact CE2-O 3.28Å; F135-G140 VanDerWaalsContact CZ-C 3.49Å; F135-G140 WeakPolarHBondContact CZ-O 3.23Å; F135-K142 HydrophobicContact CD2-CG 4.44Å
136I94.6Very high88.1Confident0 Ų062.9 Ų62.90%036%0.358CS..EExtended strand (participates in β ladder)trans-90.9118.2-176.9-60.5-175.5000109.8V109 L111 Y118 A120 V134 E138 L139 G140 E141 H143V109-I136 HydrophobicContact CG2-CD1 3.75Å; V109-I136 HydrophobicContact CG2-CG1 3.9Å; L111-I136 HydrophobicContact CD1-CD1 3.93Å; L111-I136 HydrophobicContact CD2-CD1 3.77Å; L111-I136 HydrophobicContact CG-CD1 3.99Å; Y118-I136 HydrophobicContact CD1-CG2 4.21Å; Y118-I136 HydrophobicContact CG-CG2 4.08Å; A120-I136 HydrophobicContact CB-CG1 4.1Å; V134-I136 HydrophobicContact CG2-CG1 4.05Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.46Å; I136-L139 HydrophobicContact CB-CB 4.2Å; I136-L139 HydrophobicContact CB-CD1 4.23Å; I136-L139 HydrophobicContact CB-CG 4.33Å; I136-L139 HydrophobicContact CD1-CD1 4.13Å; I136-L139 HydrophobicContact CG2-CB 4.11Å; I136-L139 HydrophobicContact CG2-CD1 3.94Å; I136-L139 HydrophobicContact CG2-CG 3.8Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-L139 VanDerWaalsContact O-N 3.13Å; I136-G140 PolarHBondContact O-N 2.78Å; I136-E141 PolarHBondContact N-O 3.44Å; I136-H143 HydrophobicContact CD1-CB 3.76Å; I136-H143 HydrophobicContact CG1-CB 4.28Å
137E93.6Very high89.2Confident102 Ų10260.5 Ų60.548%0.47733%0.33SS..THydrogen-bonded Turntrans-62.4-37.4-172-171.3171.5-160.200112.4N119 F121 L139N119-E137 HydrophobicContact CB-CB 4.41Å; N119-E137 WeakPolarHBondContact O-CB 3.29Å; N119-E137 PolarHBondContact O-N 2.84Å; F121-E137 HydrophobicContact CE2-CB 4.21Å; F121-E137 HydrophobicContact CE2-CG 4.31Å; E137-L139 VanDerWaalsContact C-N 3.34Å
138E91.1Very high89.9Confident95 Ų9562.4 Ų62.444%0.44434%0.342SS..THydrogen-bonded Turntrans-76.6-15.9178.7-69.6172.2-121.800114.3K116 Y118 I136K116-E138 IonicContact NZ-OE2 2.67Å; K116-E138 PolarHBondContact NZ-OE2 2.82Å; Y118-E138 HydrophobicContact CD1-CB 3.99Å; Y118-E138 HydrophobicContact CD1-CG 4.4Å; Y118-E138 WeakPolarHBondContact CD1-OE2 3.46Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.46Å
139L89.3Confident90.6Very high74 Ų7459.2 Ų59.239%0.38733%0.328SS..THydrogen-bonded Turntrans-110.9-22.7-177-60.2179.3000112.9L111 I136 E137 E141L111-L139 HydrophobicContact CD1-CD1 3.77Å; I136-L139 HydrophobicContact CB-CB 4.2Å; I136-L139 HydrophobicContact CB-CD1 4.23Å; I136-L139 HydrophobicContact CB-CG 4.33Å; I136-L139 HydrophobicContact CD1-CD1 4.13Å; I136-L139 HydrophobicContact CG2-CB 4.11Å; I136-L139 HydrophobicContact CG2-CD1 3.94Å; I136-L139 HydrophobicContact CG2-CG 3.8Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-L139 VanDerWaalsContact O-N 3.13Å; E137-L139 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 3.4Å
140G91.3Very high91.2Very high46 Ų4654.3 Ų54.347%0.47429%0.293SS..THydrogen-bonded Turntrans73.811.6-17500000114.3F135 I136F135-G140 WeakPolarHBondContact CE2-O 3.28Å; F135-G140 VanDerWaalsContact CZ-C 3.49Å; F135-G140 WeakPolarHBondContact CZ-O 3.23Å; I136-G140 PolarHBondContact O-N 2.78Å
141E93.2Very high91.5Very high121 Ų12154.2 Ų54.257%0.56528%0.284SS*.EExtended strand (participates in β ladder)trans-129.4153.7-167.4-72.2-173.9166.500113.8I136 L139 H143I136-E141 PolarHBondContact N-O 3.44Å; L139-E141 PolarHBondContact O-N 3.4Å; E141-H143 PolarHBondContact O-ND1 3.08Å; E141-H143 IonicContact OE2-CE1 3.14Å
142K92.5Very high91.3Very high138 Ų13856 Ų5660%0.630%0.295SS*.EExtended strand (participates in β ladder)trans-81.7128.8175-56.1-166.2-173.7-137.60111Q123 T133 V134 F135Q123-K142 VanDerWaalsContact OE1-CD 3.23Å; T133-K142 HydrophobicContact CG2-CB 4.3Å; V134-K142 CarbonylContact O-C 3.51Å; V134-K142 WeakPolarHBondContact O-CA 3.3Å; F135-K142 HydrophobicContact CD2-CG 4.44Å
143H90.6Very high91Very high47 Ų4758.5 Ų58.522%0.21831%0.31CS..EExtended strand (participates in β ladder)trans-127.5135.4178.6-77.469.9000110.6L111 T133 V134 I136 E141 V145L111-H143 HydrophobicContact CD2-CB 4.08Å; T133-H143 WeakPolarHBondContact CA-O 3.21Å; V134-H143 PolarHBondContact N-O 2.82Å; V134-H143 PolarHBondContact O-N 2.79Å; I136-H143 HydrophobicContact CD1-CB 3.76Å; I136-H143 HydrophobicContact CG1-CB 4.28Å; E141-H143 PolarHBondContact O-ND1 3.08Å; E141-H143 IonicContact OE2-CE1 3.14Å; H143-V145 HydrophobicContact CB-CG2 4.1Å
144L92.7Very high89.8Confident92 Ų9263.1 Ų63.148%0.48233%0.334SS..EExtended strand (participates in β ladder)trans-87108.2170179.562.4000108.7H128 A131H128-L144 VanDerWaalsContact CD2-CD1 3.49Å; H128-L144 WeakPolarHBondContact CD2-CD1 3.17Å; A131-L144 HydrophobicContact CB-CD1 3.65Å; A131-L144 HydrophobicContact CB-CG 4Å
145V91.8Very high88.3Confident2 Ų268.2 Ų68.21%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-111.5135.6-173.2-176.10000110.6V109 L111 A131 V132 V134 H143 D149V109-V145 HydrophobicContact CB-CB 4.47Å; V109-V145 HydrophobicContact CB-CG1 4.02Å; V109-V145 HydrophobicContact CB-CG2 4.12Å; V109-V145 HydrophobicContact CG1-CB 4.28Å; V109-V145 HydrophobicContact CG1-CG1 4.08Å; V109-V145 HydrophobicContact CG1-CG2 4.25Å; V109-V145 HydrophobicContact CG2-CG2 4.4Å; L111-V145 HydrophobicContact CD2-CG2 4.01Å; A131-V145 CarbonylContact C-O 3.58Å; A131-V145 WeakPolarHBondContact CA-O 3.45Å; A131-V145 WeakPolarHBondContact CB-O 3.48Å; V132-V145 PolarHBondContact N-O 3.14Å; V132-V145 PolarHBondContact O-N 3.08Å; V134-V145 HydrophobicContact CG2-CG2 3.79Å; H143-V145 HydrophobicContact CB-CG2 4.1Å; V145-D149 HydrophobicContact CG1-CB 4.08Å
146P91.1Very high86Confident62 Ų6269.4 Ų69.440%0.40338%0.379SS..EExtended strand (participates in β ladder)trans-56.9139.8170.8-25.235.5000112.4T148 D149P146-T148 WeakPolarHBondContact CB-OG1 3.45Å; P146-T148 PolarHBondContact O-N 3.29Å; P146-T148 VanDerWaalsContact O-N 3.15Å; P146-D149 PolarHBondContact O-N 3.13Å
147L88.8Confident83.8Confident14 Ų1472.8 Ų72.87%0.07340%0.401CS..G310 helixtrans-62.2-25.7-179.8-66.8170.4000112.7M94 F96 T130 V132 D149 L150M94-L147 HydrophobicContact SD-CD2 3.67Å; F96-L147 HydrophobicContact CB-CD1 4.35Å; F96-L147 HydrophobicContact CB-CD2 4.4Å; F96-L147 HydrophobicContact CD1-CB 4Å; F96-L147 HydrophobicContact CD2-CB 3.66Å; F96-L147 HydrophobicContact CD2-CD1 3.75Å; F96-L147 HydrophobicContact CD2-CG 4.22Å; F96-L147 HydrophobicContact CE1-CB 3.92Å; F96-L147 WeakPolarHBondContact CE1-O 3.42Å; F96-L147 HydrophobicContact CE2-CB 3.57Å; F96-L147 HydrophobicContact CE2-CD1 4.35Å; F96-L147 HydrophobicContact CG-CB 3.88Å; F96-L147 HydrophobicContact CG-CD1 4.1Å; F96-L147 HydrophobicContact CG-CD2 4.27Å; F96-L147 HydrophobicContact CG-CG 4.31Å; F96-L147 HydrophobicContact CZ-CB 3.71Å; F96-L147 WeakPolarHBondContact CZ-O 3.28Å; T130-L147 PolarHBondContact O-N 3.5Å; V132-L147 HydrophobicContact CB-CD2 3.95Å; V132-L147 HydrophobicContact CG1-CD2 3.72Å; L147-D149 PolarHBondContact O-N 2.94Å; L147-L150 PolarHBondContact O-N 3.24Å
148T89.2Confident81.6Confident112 Ų11272.1 Ų72.169%0.68741%0.413SS*.G310 helixtrans-58.6-24.6171.845.40000114.2P146P146-T148 WeakPolarHBondContact CB-OG1 3.45Å; P146-T148 PolarHBondContact O-N 3.29Å; P146-T148 VanDerWaalsContact O-N 3.15Å
149D89.9Confident79.1Confident23 Ų2377.9 Ų77.912%0.12343%0.431CS..G310 helixtrans-110.92.9-172.2-69.2-87.6000112.5V109 R110 V145 P146 L147V109-D149 WeakPolarHBondContact CA-O 3.45Å; R110-D149 HydrophobicContact CB-CB 4.27Å; R110-D149 IonicContact CZ-OD1 2.8Å; R110-D149 PolarHBondContact N-O 3.36Å; R110-D149 VanDerWaalsContact N-O 3.07Å; R110-D149 IonicContact NE-OD1 2.63Å; R110-D149 PolarHBondContact NE-OD1 3.03Å; R110-D149 IonicContact NH2-OD1 2.65Å; R110-D149 PolarHBondContact NH2-OD1 3.35Å; R110-D149 WeakPolarHBondContact O-CB 3.3Å; V145-D149 HydrophobicContact CG1-CB 4.08Å; P146-D149 PolarHBondContact O-N 3.13Å; L147-D149 PolarHBondContact O-N 2.94Å
150L90Very high77.3Confident12 Ų1277.9 Ų77.96%0.06343%0.431CS..EExtended strand (participates in β ladder)trans-90.9129.6168.8-172.1150.8000110.8Y101 C107 V109 I122 V132 V134 L147Y101-L150 HydrophobicContact CD1-CD2 4.2Å; Y101-L150 HydrophobicContact CE1-CD2 3.47Å; Y101-L150 VanDerWaalsContact CE1-CD2 3.47Å; C107-L150 HydrophobicContact CB-CD1 3.94Å; C107-L150 HydrophobicContact CB-CD2 4.02Å; C107-L150 HydrophobicContact CB-CG 3.87Å; V109-L150 HydrophobicContact CG1-CB 4.31Å; V109-L150 HydrophobicContact CG1-CD1 4.28Å; V109-L150 HydrophobicContact CG1-CG 4.2Å; I122-L150 HydrophobicContact CD1-CD1 4.1Å; I122-L150 HydrophobicContact CG1-CD1 4.29Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V134-L150 HydrophobicContact CG1-CD1 4.36Å; L147-L150 PolarHBondContact O-N 3.24Å
151K90Very high75.4Confident101 Ų10180.9 Ų80.944%0.43944%0.44SS..EExtended strand (participates in β ladder)trans-111.4134.9166.7-71.2176.6177.9166.40109.9C107 Q108 F117 V153C107-K151 CarbonylContact C-O 3.57Å; C107-K151 WeakPolarHBondContact CA-O 3.17Å; C107-K151 WeakPolarHBondContact CB-O 3.34Å; Q108-K151 HydrophobicContact CB-CB 4.27Å; Q108-K151 PolarHBondContact N-O 2.98Å; Q108-K151 PolarHBondContact O-N 3.38Å; F117-K151 HydrophobicContact CD1-CD 3.91Å; F117-K151 HydrophobicContact CD1-CG 4.37Å; F117-K151 HydrophobicContact CE1-CD 3.56Å; F117-K151 HydrophobicContact CE1-CG 3.87Å; F117-K151 HydrophobicContact CE2-CD 4.42Å; F117-K151 HydrophobicContact CG-CD 4.49Å; F117-K151 HydrophobicContact CZ-CD 3.87Å; F117-K151 HydrophobicContact CZ-CG 4.47Å; K151-V153 PolarHBondContact O-N 3.01Å
152P86.4Confident73Confident51 Ų5179.3 Ų79.333%0.33145%0.448SS..EExtended strand (participates in β ladder)trans-67126.2168.526.9-30.5000109.1Y101 N154Y101-P152 HydrophobicContact CE1-CB 3.86Å; Y101-P152 WeakPolarHBondContact OH-CD 3.35Å; P152-N154 PolarHBondContact O-N 2.91Å
153V84.3Confident70.4Confident53 Ų5376.8 Ų76.832%0.32145%0.452SS..  trans-74.8108.1162.3175.40000105.4K106 Q108 K151 P155K106-V153 HydrophobicContact CB-CB 4.19Å; K106-V153 WeakPolarHBondContact O-CB 3.41Å; K106-V153 PolarHBondContact O-N 2.79Å; Q108-V153 HydrophobicContact CB-CG2 4.24Å; Q108-V153 HydrophobicContact CG-CG2 3.77Å; K151-V153 PolarHBondContact O-N 3.01Å; V153-P155 VanDerWaalsContact O-CD 3.3Å; V153-P155 WeakPolarHBondContact O-CD 3.32Å
154N67.9Low67.9Low116 Ų11680.1 Ų80.162%0.6248%0.479SS*.  trans-54.1117.6179.2-176.726.7000108.8P152 V156P152-N154 PolarHBondContact O-N 2.91Å; N154-V156 VanDerWaalsContact C-N 3.32Å; N154-V156 PolarHBondContact O-N 3.2Å
155P61.3Low65.2Low106 Ų10680.3 Ų80.369%0.68849%0.493SS*.  trans-69.193.3-176.126.8-33.8000109.1V153 P157V153-P155 VanDerWaalsContact O-CD 3.3Å; V153-P155 WeakPolarHBondContact O-CD 3.32Å; P155-P157 VanDerWaalsContact O-CD 3.28Å; P155-P157 WeakPolarHBondContact O-CD 3.11Å; P155-P157 VanDerWaalsContact O-N 3.07Å
156V47.5Very low62.7Low91 Ų9192.1 Ų92.155%0.55254%0.537SS*.  trans-51.1115.1172.7172.80000107.1N154 A158 N160N154-V156 VanDerWaalsContact C-N 3.32Å; N154-V156 PolarHBondContact O-N 3.2Å; V156-A158 PolarHBondContact O-N 3.38Å; V156-N160 HydrophobicContact CG1-CB 3.5Å
157P47.7Very low59.9Low70 Ų7096.7 Ų96.746%0.45555%0.551SS.*  trans-55.1134-174.1-28.936.1000110.1P155 W159 N160P155-P157 VanDerWaalsContact O-CD 3.28Å; P155-P157 WeakPolarHBondContact O-CD 3.11Å; P155-P157 VanDerWaalsContact O-N 3.07Å; P157-W159 PolarHBondContact O-N 2.95Å; P157-N160 WeakPolarHBondContact O-CB 3.19Å; P157-N160 PolarHBondContact O-N 3.45Å
158A46.4Very low57.3Low89 Ų8999.8 Ų99.874%0.73659%0.586SS**G310 helixtrans-56.2-17.9-162.700000115.9V156 N160 V161V156-A158 PolarHBondContact O-N 3.38Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.39Å; A158-V161 PolarHBondContact O-N 2.97Å
159W39.3Very low55Low215 Ų21599.2 Ų99.281%0.81458%0.579SS**G310 helixtrans-73.2-12.3171.863.7-94.6000114.7P157P157-W159 PolarHBondContact O-N 2.95Å
160N52.2Low53Low74 Ų74103.4 Ų103.440%0.39661%0.608SS.*G310 helixtrans-97.810.5174-71.4-74.2000113.2V156 P157 A158 A162V156-N160 HydrophobicContact CG1-CB 3.5Å; P157-N160 WeakPolarHBondContact O-CB 3.19Å; P157-N160 PolarHBondContact O-N 3.45Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.39Å; N160-A162 PolarHBondContact O-N 3.04Å
161V49.8Very low50.3Low109 Ų109109.6 Ų109.666%0.66164%0.641SS**  trans-72.978.1166.1-175.20000108.1A158 A163A158-V161 PolarHBondContact O-N 2.97Å; V161-A163 PolarHBondContact O-N 3.38Å
162A43.8Very low48.4Very low88 Ų88109.7 Ų109.773%0.72765%0.652SS**  trans-55127.8161.900000107.6N160N160-A162 PolarHBondContact O-N 3.04Å
163A37.6Very low45.9Very low85 Ų85115.6 Ų115.670%0.70268%0.675SS**  trans-53.6139.7-179.400000109.9V161 A165V161-A163 PolarHBondContact O-N 3.38Å; A163-A165 PolarHBondContact O-N 2.96Å
164P37.8Very low43.7Very low118 Ų118119.2 Ų119.277%0.76670%0.702SS**  trans-55114.3-169.920.4-33000110.6R166P164-R166 PolarHBondContact O-N 3.35Å
165A35.7Very low42.1Very low95 Ų95125.5 Ų125.579%0.78572%0.717SS**  trans-63.5110.9-174.600000109.4A163 K167A163-A165 PolarHBondContact O-N 2.96Å; A165-K167 PolarHBondContact O-N 2.87Å
166R39.9Very low40.7Very low250 Ų250124.3 Ų124.394%0.94372%0.724SS**  trans-72.573.4175-70.1-173.5175.9-178.2-1.7110.2P164 G168P164-R166 PolarHBondContact O-N 3.35Å; R166-G168 PolarHBondContact O-N 3.09Å
167K31.9Very low40Very low158 Ų158129.4 Ų129.469%0.68774%0.742SS**  trans-77.676.7169.7-164.9-172.9-170.8-650109.9A165 D169A165-K167 PolarHBondContact O-N 2.87Å; K167-D169 HydrophobicContact CG-CB 4.29Å; K167-D169 IonicContact NZ-OD2 3.77Å; K167-D169 PolarHBondContact NZ-OD2 3.39Å
168G35.7Very low39.4Very low79 Ų79136.4 Ų136.481%0.81476%0.76SS**  trans-93105.4157.500000108.3R166R166-G168 PolarHBondContact O-N 3.09Å
169D39Very low39Very low101 Ų101140.3 Ų140.354%0.5476%0.762SS.*  trans-171.8116.1-173168.259.3000106.5K167K167-D169 HydrophobicContact CG-CB 4.29Å; K167-D169 IonicContact NZ-OD2 3.77Å; K167-D169 PolarHBondContact NZ-OD2 3.39Å
170P47.7Very low38.8Very low111 Ų111138.2 Ų138.272%0.72176%0.761SS**  -127-178.584.244.1-36.2000112.3
171D34.9Very low38.1Very low141 Ų141145 Ų14575%0.75478%0.781SS**  cis-142.3-156.28-144.95.8000110.7
172P49.4Very low37.6Very low103 Ų103148.2 Ų148.267%0.66979%0.788SS**  trans-110.8-159.9-145.631.6-7.2000113.7
173E34Very low37.3Very low176 Ų176155 Ų15582%0.82280%0.795SS**  trans60.696.5169.5-61.2-149.4112.800118.6
174S37Very low37.1Very low128 Ų128160.5 Ų160.590%0.89580%0.799SS**  -156.5143.3128.2-90.40000112.7
175R34.6Very low36.8Very low248 Ų248163.8 Ų163.894%0.93680%0.802SS**  trans-75.8131.7-174.8-63.2172.6-179.6167.2-0.2110.4
176G32.8Very low36.6Very low81 Ų81170.2 Ų170.284%0.83581%0.806SS**  trans-81.1157.8-172.400000115.4
177Q32.3Very low36.1Very low199 Ų199168.2 Ų168.293%0.9380%0.804SS**  trans-141.9150.3170.3-156169.14.400113.9
178R34.8Very low36.2Very low217 Ų217166.6 Ų166.682%0.81981%0.812SS**  trans-63.8146.3-162.8-57.9164.7-169.7-112.92.1116.2
179H39.7Very low36.3Very low171 Ų171174.9 Ų174.979%0.79282%0.819SS**  trans10.6126.1154.8-35-78.6000121.1
180H33.8Very low35.8Very low170 Ų170173.3 Ų173.379%0.78783%0.827SS**  -155.4179.9118.5-125.566.1000116
181R37.6Very low35.1Very low218 Ų218173.8 Ų173.882%0.82383%0.833SS**  trans-90.8162.6-160.9-66166.9163.4150.7-10.9115
182H39.2Very low35Very low175 Ų175172.6 Ų172.681%0.8184%0.836SS**  trans-45.1139.9161.4-78.2-68.7000114.1
183R38.4Very low34.1Very low231 Ų231170.9 Ų170.987%0.87284%0.836SS**  -156.9177.1126-117.8-179.7-68.6173.30.7111.4
184Y32.5Very low34.1Very low201 Ų201167.2 Ų167.279%0.78884%0.837SS**  trans-98.9167.3-157.7-48.5-86000114.8
185F31.1Very low33.9Very low186 Ų186171.2 Ų171.282%0.81684%0.838SS**  trans7789.9141.1-127.1-103.7000119.8
186R31.9Very low33.6Very low231 Ų231162.8 Ų162.887%0.87283%0.828SS**  173.5153103.2-86.8-163.3-152.4-124.58.4110.8
187K30.3Very low34.1Very low207 Ų207164.7 Ų164.790%0.982%0.824SS**  trans-98.4133.2163.5-77.7166.7172.2172.20109.2
188S34.4Very low34Very low124 Ų124164.2 Ų164.287%0.86782%0.821SS**  trans-83.5171.8149.554.70000109.3
189R36.1Very low34.5Very low253 Ų253160.7 Ų160.796%0.95582%0.818SS**  trans-138.2145-160.7-163.5-174.4-166-162.16.2112.6
190G29.8Very low34.3Very low68 Ų68160.5 Ų160.570%0.70182%0.822SS**  trans93.4150.9178.800000112.7
191S33.1Very low34.7Very low121 Ų121160.2 Ų160.285%0.84682%0.823SS**  cis-167.5159.1-7.5-91.30000107.9
192S32.5Very low34.7Very low117 Ų117154.9 Ų154.982%0.81882%0.817SS**  cis-171.5158.1-11.945.50000107.1
193G31.2Very low34.9Very low66 Ų66152 Ų15268%0.6881%0.813SS**  cis169.6-166.24.700000109.7
194A33.9Very low35.2Very low100 Ų100147.2 Ų147.283%0.82681%0.812SS**  trans64.8133.417400000116.4
195K32.1Very low35.2Very low212 Ų212145.5 Ų145.592%0.92282%0.815SS**  cis-133.3148.71.1-62.8-179.8-179.11780109.9
196G28.5Very low35.2Very low71 Ų71142.1 Ų142.173%0.73281%0.814SS**  trans-170.390.8178.200000113.3
197T43.5Very low35.3Very low121 Ų121142.9 Ų142.974%0.74282%0.819SS**  trans29.6115.7151.8-40.80000120.8L199T197-L199 HydrophobicContact CG2-CG 4.39Å
198E29Very low35.4Very low189 Ų189136.4 Ų136.488%0.88381%0.811SS**  -115.4127.2129.5-68.1-171.2152.500105.8
199L46.6Very low35.8Very low143 Ų143133.9 Ų133.975%0.74980%0.804SS**  69.4101.357.3-67.4-179000113.7T197T197-L199 HydrophobicContact CG2-CG 4.39Å
200L34.3Very low36.2Very low167 Ų167128 Ų12887%0.87480%0.799SS**  trans-166.5120.2132-105162.1000111.3
201M43.3Very low36.9Very low164 Ų164129.4 Ų129.481%0.80880%0.804SS**  trans42.4117.8160.1-70-79.892.100121.9
202P37Very low37.3Very low106 Ų106129.3 Ų129.369%0.68880%0.801SS**PPolyproline II helixtrans-97.5150.9146.535.9-29.8000112.7
203P43.6Very low38Very low114 Ų114128.3 Ų128.374%0.7479%0.793SS**PPolyproline II helixtrans-77.9173.1174.234.4-36.2000112.7
204P43.5Very low38.9Very low131 Ų131130.9 Ų130.985%0.85180%0.798SS**PPolyproline II helixtrans-77.8149.5-160.330.9-36.4000115
205I33.2Very low39.4Very low165 Ų165130.4 Ų130.485%0.84678%0.782SS**  trans-122.6141170.3-62177.3000108.2
206S32.5Very low40.6Very low114 Ų114121.6 Ų121.680%0.79775%0.746SS**  trans-59.2148.3-170.4-55.30000114.9G208S206-G208 PolarHBondContact O-N 3.43Å
207Y33.5Very low41.6Very low247 Ų247124.1 Ų124.197%0.96975%0.749SS**  trans-63.2103.3171.1-86-97.1000111.6
208G30.9Very low41.6Very low72 Ų72129 Ų12974%0.74275%0.754SS**PPolyproline II helixtrans-85.5134.1159.900000110.6S206S206-G208 PolarHBondContact O-N 3.43Å
209G44.2Very low42.3Very low70 Ų70126 Ų12672%0.72274%0.738SS**PPolyproline II helixtrans-76.6171.2-179.400000114.4
210P43.5Very low42.9Very low130 Ų130123.6 Ų123.684%0.84472%0.723SS**PPolyproline II helixtrans-66.2151.1175.329.7-35.4000111.8
211A44.2Very low43.5Very low97 Ų97121.9 Ų121.980%0.80272%0.722SS**PPolyproline II helixtrans-63.5135.1179.200000111.8
212P42.1Very low43.4Very low120 Ų120118 Ų11878%0.77971%0.708SS**PPolyproline II helixtrans-75.3142.8179.430.9-34.7000111.7
213S46.9Very low44Very low95 Ų95116.9 Ų116.966%0.66472%0.716SS**PPolyproline II helixtrans-64.1147.3157.740.90000109.9L215S213-L215 PolarHBondContact O-N 3.35Å
214P51.3Low43.9Very low121 Ų121118.4 Ų118.479%0.78671%0.712SS**  trans-68.8106.4-174.927-34.2000111.1
215L44.5Very low43.8Very low90 Ų90117.7 Ų117.747%0.47171%0.708SS.*  trans-66.6148.7168.7-68.1174.9000110.2S213 F219 Q220S213-L215 PolarHBondContact O-N 3.35Å; L215-F219 HydrophobicContact CB-CB 4.4Å; L215-F219 WeakPolarHBondContact CD1-O 3.38Å; L215-Q220 HydrophobicContact CB-CG 4.35Å; L215-Q220 PolarHBondContact O-NE2 3.09Å
216P56.1Low44.1Very low27 Ų27120.2 Ų120.218%0.17571%0.707CS.*  trans-58.2151.8176.320.4-30.2000111.7W81 R218 F219W81-P216 HydrophobicContact CH2-CB 4.29Å; W81-P216 HydrophobicContact CH2-CG 4.27Å; W81-P216 HydrophobicContact CZ2-CB 3.81Å; W81-P216 HydrophobicContact CZ2-CG 4.19Å; P216-R218 PolarHBondContact O-N 2.87Å; P216-F219 HydrophobicContact CG-CD2 4.22Å; P216-F219 PolarHBondContact O-N 2.91Å
217P49.3Very low44.8Very low124 Ų124119.6 Ų119.681%0.80570%0.7SS**G310 helixtrans-56.2-23.9-163.1-29.836.2000116.8F219P217-F219 VanDerWaalsContact C-N 3.27Å; P217-F219 PolarHBondContact O-N 3.33Å
218R43.9Very low45.3Very low224 Ų224113.8 Ų113.885%0.84569%0.693SS**G310 helixtrans-73.3-13.9177.8-169.7173.4178.491.90.1114P216P216-R218 PolarHBondContact O-N 2.87Å
219F44.1Very low46.1Very low124 Ų124117.4 Ų117.454%0.54469%0.694SS.*G310 helixtrans-122.917.6-171.4-65.7-81.3000114L215 P216 P217L215-F219 HydrophobicContact CB-CB 4.4Å; L215-F219 WeakPolarHBondContact CD1-O 3.38Å; P216-F219 HydrophobicContact CG-CD2 4.22Å; P216-F219 PolarHBondContact O-N 2.91Å; P217-F219 VanDerWaalsContact C-N 3.27Å; P217-F219 PolarHBondContact O-N 3.33Å
220Q58.6Low46.2Very low94 Ų94119.2 Ų119.244%0.43969%0.693SS.*  trans-92123.7171.9-62.4-171.710.700110.3L215 T222L215-Q220 HydrophobicContact CB-CG 4.35Å; L215-Q220 PolarHBondContact O-NE2 3.09Å; Q220-T222 VanDerWaalsContact C-N 3.27Å; Q220-T222 PolarHBondContact O-N 3.29Å
221P47.2Very low46.2Very low131 Ų131118.9 Ų118.985%0.85169%0.691SS**  trans-80.573.1175.133.2-34.5000110.4G223P221-G223 PolarHBondContact O-N 2.9Å
222T41.3Very low45.8Very low82 Ų82119.5 Ų119.550%0.50369%0.69SS.*  trans-71.6109.5174.939.10000110.9Q220 H224Q220-T222 VanDerWaalsContact C-N 3.27Å; Q220-T222 PolarHBondContact O-N 3.29Å; T222-H224 VanDerWaalsContact C-N 3.31Å; T222-H224 WeakPolarHBondContact CB-NE2 3.15Å; T222-H224 PolarHBondContact O-CD2 2.91Å; T222-H224 VanDerWaalsContact O-CD2 3.22Å; T222-H224 PolarHBondContact O-N 3.28Å; T222-H224 PolarHBondContact OG1-CD2 3.19Å; T222-H224 PolarHBondContact OG1-NE2 3.41Å
223G49Very low45.8Very low83 Ų83120.4 Ų120.486%0.85670%0.696SS**  trans-67.787.8166.300000110.6P221P221-G223 PolarHBondContact O-N 2.9Å
224H41.5Very low45.6Very low145 Ų145119.6 Ų119.667%0.67170%0.702SS**PPolyproline II helixtrans-74145.1174.6-71.8-81.8000111.2T222T222-H224 VanDerWaalsContact C-N 3.31Å; T222-H224 WeakPolarHBondContact CB-NE2 3.15Å; T222-H224 PolarHBondContact O-CD2 2.91Å; T222-H224 VanDerWaalsContact O-CD2 3.22Å; T222-H224 PolarHBondContact O-N 3.28Å; T222-H224 PolarHBondContact OG1-CD2 3.19Å; T222-H224 PolarHBondContact OG1-NE2 3.41Å
225P42.6Very low44.9Very low116 Ų116118.7 Ų118.775%0.75371%0.705SS**PPolyproline II helixtrans-62.9142.7172.427.9-34.4000110.4
226R39.1Very low44.7Very low218 Ų218122.1 Ų122.182%0.82372%0.723SS**PPolyproline II helixtrans-54.6124.3178.3170.9-176.4-70.7-154.9-0.3110.4
227P47Very low43.8Very low101 Ų101127.5 Ų127.566%0.65676%0.755SS**PPolyproline II helixtrans-67.1152.5169.729.7-34.6000110.6
228P44.4Very low43.1Very low126 Ų126131 Ų13182%0.81875%0.754SS**PPolyproline II helixtrans-60.9148.1177.627-34.7000111.3
229L46.6Very low42.7Very low148 Ų148127.1 Ų127.178%0.77575%0.75SS**PPolyproline II helixtrans-66.8142.1176.2-70.6164.6000110.4
230P47.7Very low42.7Very low108 Ų108124.6 Ų124.670%0.70175%0.746SS**PPolyproline II helixtrans-67.3147.4172.529.6-34.6000110.8
231P42.2Very low42Very low122 Ų122130.1 Ų130.179%0.79276%0.764SS**PPolyproline II helixtrans-67.8140174.829.1-34.3000111
232S37.1Very low41.3Very low111 Ų111128.6 Ų128.678%0.77676%0.763SS**PPolyproline II helixtrans-67.6140.6179.3-520000111.9G234S232-G234 PolarHBondContact O-N 3.05Å; S232-G234 VanDerWaalsContact O-N 3.08Å
233P40.5Very low41.6Very low139 Ų139130.4 Ų130.490%0.90378%0.776SS**SBendtrans-74.3101.2-178.729.7-34000110.8
234G44.7Very low41.5Very low78 Ų78131.7 Ų131.780%0.80477%0.769SS**  trans-173.427.9-17300000117.8S232S232-G234 PolarHBondContact O-N 3.05Å; S232-G234 VanDerWaalsContact O-N 3.08Å
235A35.5Very low41.1Very low102 Ų102131.5 Ų131.584%0.84377%0.768SS**  trans-145.1141.9172.900000112.9
236L41.3Very low40.7Very low162 Ų162135.3 Ų135.385%0.84878%0.776SS**  trans-68.1163.9175-52.7165.3000109.8
237T37.1Very low40.3Very low139 Ų139132.1 Ų132.185%0.85377%0.77SS**  cis-156.4174.428.3-34.70000111
238Y34.4Very low39.6Very low197 Ų197134.2 Ų134.277%0.77378%0.781SS**  trans-96.6135.7-175.8171.4-87.6000113.5P240Y238-P240 HydrophobicContact CE1-CB 4.38Å; Y238-P240 HydrophobicContact CE1-CG 3.78Å; Y238-P240 HydrophobicContact CE2-CB 4.49Å
239D34.5Very low39.2Very low143 Ų143134.3 Ų134.377%0.76578%0.781SS**  trans-153.1125.3160.3-167.1-14.8000110
240P45.6Very low38.4Very low72 Ų72131.9 Ų131.947%0.46878%0.783SS.*  trans-107.122.6-167.441-36.5000117.1Y238Y238-P240 HydrophobicContact CE1-CB 4.38Å; Y238-P240 HydrophobicContact CE1-CG 3.78Å; Y238-P240 HydrophobicContact CE2-CB 4.49Å
241Y42.3Very low37.7Very low209 Ų209131.1 Ų131.182%0.8279%0.786SS**  trans-136.488.2-175.6-83.5-79000117.4
242A32.6Very low37.2Very low100 Ų100137 Ų13783%0.82679%0.792SS**  trans-169.3127.8152.900000114.8
243P47.9Very low37.1Very low119 Ų119136 Ų13677%0.77379%0.791SS**  trans-114.9151.6159.237.4-28.6000112.4
244P47Very low37.3Very low110 Ų110135.1 Ų135.171%0.71479%0.785SS**  -152.8143.5118.133.8-14.5000118.5
245H33.8Very low36.8Very low141 Ų141142.1 Ų142.165%0.65379%0.787SS**  trans29138.8137.4-44-53.8000124.7
246H33.5Very low36.6Very low197 Ų197148.3 Ų148.391%0.91279%0.79SS**  -141.3165129.3-84.3-55.7000110.6
247H30.1Very low35.9Very low151 Ų151144.3 Ų144.370%0.69979%0.788SS**  trans-134.9158.1-167.3-46.2-103.3000112.5
248T32Very low35.6Very low145 Ų145147 Ų14789%0.8979%0.793SS**  trans-164.2159.5141.817.90000111.8
249P37.6Very low35.3Very low127 Ų127142.8 Ų142.883%0.82579%0.793SS**  trans-107.1-170-165.342.2-36.6000115.4
250A29.2Very low35.2Very low98 Ų98141.4 Ų141.481%0.8179%0.794SS**  trans-141.7169.5-17400000115
251A32.5Very low35Very low92 Ų92143.2 Ų143.276%0.7681%0.806SS**  trans76.1160.417200000116.3
252R31.9Very low34.4Very low244 Ų244138.2 Ų138.292%0.92180%0.797SS**  cis-157.7174.67.7-148.9172.5-164.7128.81.2111.8
253A34.7Very low34.6Very low90 Ų90143 Ų14374%0.74479%0.794SS**  trans-123.6154.8175.900000114.8
254P44.4Very low33.9Very low121 Ų121146 Ų14679%0.78680%0.795SS**  trans-141.3178.7153.640.2-25.2000113.5
255R35.2Very low33.3Very low226 Ų226147.8 Ų147.885%0.85380%0.798SS**  cis-160.7155.9-39.9-100.3-167.7178.9-160.1-0.7109.6
256Y30.3Very low33Very low231 Ų231147.5 Ų147.591%0.90680%0.802SS**  trans3.4144.5158.7-71-90.3000123.7
257G27.9Very low32.9Very low78 Ų78146.9 Ų146.980%0.80479%0.791SS**  trans-162.7157158.900000111.7
258M30.3Very low33.1Very low195 Ų195148.8 Ų148.896%0.96180%0.8SS**  trans-145.1137.1-170177.4150.659.500113.9
259S28.9Very low33.4Very low109 Ų109147.2 Ų147.276%0.76279%0.786SS**  trans-165.7156.2162.6-166.40000113.9
260S31.7Very low33.3Very low114 Ų114149.7 Ų149.780%0.79779%0.79SS**  trans-169.7140.3165.5-75.40000108.5
261P41.3Very low33.6Very low110 Ų110147.8 Ų147.871%0.71478%0.781SS**  -155.7156.8124.838.4-20.1000118.6
262T30.2Very low34.2Very low104 Ų104149.7 Ų149.764%0.63879%0.785SS**  trans55.5109.3143.754.30000124.4
263R36.3Very low34.1Very low202 Ų202145.1 Ų145.176%0.76277%0.774SS**  31.3133115.4-57.3-175-69.6-150.9-0.6120.1
264F32.1Very low33.8Very low181 Ų181148.7 Ų148.779%0.79478%0.78SS**  -173174.398.4-103.1-69.2000115
265L36.4Very low33.2Very low147 Ų147146.8 Ų146.877%0.7777%0.766SS**  trans-84.9-176.3-170.2-56.4164.2000111.4
266N27.4Very low32.8Very low136 Ų136144 Ų14473%0.72776%0.756SS**  cis-166.5121.125.8-157.83.3000115.3
267R31.2Very low32.7Very low183 Ų183141.8 Ų141.869%0.69175%0.748SS**  trans16.6133.6138.5-168.8-178.3-175.5-12110.4122.6L269R267-L269 HydrophobicContact CG-CG 4.25Å
268Q33.5Very low33Very low191 Ų191145.7 Ų145.789%0.89375%0.745SS**  trans-158.4107.6137.8-103.1162.96800107.3
269L37.7Very low33.3Very low112 Ų112142.6 Ų142.659%0.58674%0.739SS**  61.8109.574.2-80.5-174.9000116R267R267-L269 HydrophobicContact CG-CG 4.25Å
270I35.3Very low33.4Very low179 Ų179140.9 Ų140.992%0.91874%0.739SS**  -174.3147.7109.9-93.5157.1000110.2
271G35.8Very low33.5Very low59 Ų59147.5 Ų147.561%0.60875%0.747SS**  trans174.4159.3169.300000111.6
272P46.2Very low33.6Very low132 Ų132153.7 Ų153.786%0.85776%0.756SS**  trans-99.9113.4169.633.8-25.4000109.9
273H29.3Very low33.6Very low147 Ų147159.6 Ų159.668%0.68177%0.768SS**  78.8100.953.7-173-73.9000114.4T275H273-T275 WeakPolarHBondContact NE2-CG2 3.45Å
274L28.5Very low33.4Very low166 Ų166159.1 Ų159.187%0.86977%0.768SS**  trans-139.6139.1141.6-162.162.9000109.2
275T31.8Very low33.3Very low80 Ų80158.4 Ų158.449%0.49177%0.766SS.*  trans-90.5172.3-172.330.80000111.9H273H273-T275 WeakPolarHBondContact NE2-CG2 3.45Å
276Y27.4Very low33.3Very low167 Ų167157.3 Ų157.366%0.65576%0.762SS**  cis-166.3155.440.8-126-59.4000113.2
277Y28.1Very low33.3Very low186 Ų186161.2 Ų161.273%0.72977%0.768SS**  trans61.6151.6165.9-66.7-77.8000119.4
278H33.8Very low33.4Very low159 Ų159160.1 Ų160.174%0.73677%0.77SS**  -165.7132.3-60.5-111.5-64.6000108.2
279P36.3Very low33.1Very low130 Ų130156.5 Ų156.584%0.84476%0.757SS**  trans-92.3134.9-179.533.6-32.5000113.4
280G31.8Very low32.8Very low74 Ų74160.7 Ų160.776%0.76377%0.767SS**  trans125.592152.800000118.5
281R33Very low32.3Very low252 Ų252156.2 Ų156.295%0.95176%0.756SS**  trans-136.9156.9137.2-72.1-160.5-168.2-84.44.6109
282R44Very low32.1Very low240 Ų240162.8 Ų162.891%0.90677%0.768SS**  trans-85.4146.2174.6-52.6178.9-174.2-174.91.7109.6
283Y29.4Very low31.3Very low229 Ų229165.9 Ų165.990%0.89876%0.763SS**  trans-153.5156.8136.4-119.2-80000110.1
284Y32.4Very low31.5Very low192 Ų192164.4 Ų164.475%0.75377%0.769SS**  trans-69.3144.6166.7-120.2-112.1000109.1
285Q30.1Very low32Very low165 Ų165166.5 Ų166.577%0.77177%0.766SS**  trans-147.399.3165.4-15380.766.400108.8
286D35.5Very low32.4Very low125 Ų125173.6 Ų173.667%0.66878%0.783SS**  trans-66.2142.1175.3-50.8-86.6000110.5
287Y29Very low32.3Very low218 Ų218171.4 Ų171.486%0.85579%0.792SS**  trans-144.979.3170.4-106.8-75.9000111
288E31.9Very low32.4Very low159 Ų159174.4 Ų174.474%0.74380%0.802SS**  trans-75.2174.1150.8-71.2-157.7141.700111.2
289N27.8Very low32.5Very low116 Ų116178.2 Ų178.262%0.6281%0.81SS**  trans79.883.3153.2-63-53.1000119.1
290Y30.9Very low32.6Very low199 Ų199180.7 Ų180.778%0.7881%0.81SS**  49.1123.2127.8-65.1-74.9000121.3
291A26Very low32.7Very low85 Ų85184.6 Ų184.670%0.70281%0.813SS**  trans-146.771140.700000113R293A291-R293 PolarHBondContact O-N 3.47Å; A291-R293 VanDerWaalsContact O-N 3.12Å
292F31.6Very low32.7Very low197 Ų197180.3 Ų180.386%0.86481%0.808SS**  trans-61114157.1-96.5-86.9000108.5
293R29.4Very low32.2Very low198 Ų198173.9 Ų173.975%0.74781%0.806SS**  trans-129.474.7170.7-69.8-159.1-173.8-81.17.6112.1A291 R295A291-R293 PolarHBondContact O-N 3.47Å; A291-R293 VanDerWaalsContact O-N 3.12Å; R293-R295 PolarHBondContact O-N 2.63Å
294S32.3Very low32.3Very low115 Ų115169.3 Ų169.380%0.80480%0.802SS**  trans-60.5121.6151.6-179.10000109.1
295R39Very low32.5Very low211 Ų211165.9 Ų165.980%0.79681%0.806SS**  trans-116.1102.9162.8-78.3-168.7173.5-147.32.2106.7R293R293-R295 PolarHBondContact O-N 2.63Å
296R39.8Very low32.7Very low228 Ų228165.5 Ų165.586%0.8680%0.802SS**  81.2119.178.2-86-169.8178-1650.5112.2
297S26.7Very low32.7Very low121 Ų121166.6 Ų166.685%0.84680%0.803SS**  trans-152.4103.7148.9-172.30000111.7
298R29.6Very low32.7Very low249 Ų249162.3 Ų162.394%0.9480%0.804SS**  trans-156.6159139.4-120.9-178.1179.4-161.6-1.5109.6
299R37Very low32.8Very low239 Ų239163.4 Ų163.490%0.90281%0.808SS**  trans-90.9170.9-169.1-68.9175170163.6-6112.1
300H36.9Very low32.8Very low182 Ų182168.1 Ų168.184%0.84382%0.824SS**  trans-54.3161.1172.5-61.3165.2000113.4
301L33.7Very low32.6Very low157 Ų157161.4 Ų161.482%0.82282%0.816SS**  -155.9139.4113-96.9172.2000110.9
302L33.6Very low32.8Very low161 Ų161167.2 Ų167.284%0.84383%0.825SS**  trans32.8118.7152.9-59.2169.8000121.4
303A33.5Very low34.1Very low106 Ų106163.5 Ų163.588%0.87682%0.821SS**  trans-144.6131.5144.400000110.5
304V32.2Very low34.1Very low132 Ų132158.9 Ų158.980%0.883%0.825SS**  trans-52.7141.6-171.3167.70000115.4
305S36.3Very low34Very low121 Ų121162.6 Ų162.685%0.84683%0.83SS**  trans-77.1137.9165.9-175.10000111.8
306K34.7Very low33.6Very low156 Ų156156.4 Ų156.468%0.67882%0.824SS**  trans-161.3136.4-178.6-107.6174.9163.3-83.70106.4
307E35.2Very low33.4Very low149 Ų149151.2 Ų151.270%0.69682%0.817SS**  cis-121.5177.59.2-121.274.1-152.900112.3
308C29.2Very low33.8Very low128 Ų128153.1 Ų153.187%0.86581%0.813SS**  trans-93.7172.3-177.2-64.40000115
309Q34.7Very low34.2Very low181 Ų181149.8 Ų149.885%0.84681%0.808SS**  trans-71.4154.9-178-57.4142.4-52.700114.4
310F27.4Very low34.1Very low215 Ų215142.8 Ų142.894%0.94380%0.801SS**  trans175.7140.8141.9-109.7-80.3000108.5
311G26.3Very low34.1Very low59 Ų59138.3 Ų138.361%0.60880%0.796SS**  cis173137.8-15.400000113.8
312F29.7Very low34.2Very low206 Ų206137.7 Ų137.790%0.90479%0.793SS**  trans68161.4161.2-65.7-71.6000121.2
313P58.5Low34.2Very low120 Ų120137.4 Ų137.478%0.77979%0.791SS**  trans-131.4-179.3-150.245.6-30.8000116.7
314A30.7Very low34.3Very low101 Ų101139.7 Ų139.784%0.83579%0.789SS**  trans-156.7165.1157.500000112.7
315E29.7Very low35.5Very low193 Ų193138.2 Ų138.290%0.90278%0.782SS**  trans-75-180-178.7-51.8164.5128.300112
316A31.2Very low36.1Very low81 Ų81138 Ų13867%0.66978%0.778SS**  cis-167.1176.120.500000111.9
317V34.1Very low36Very low119 Ų119139.1 Ų139.172%0.72179%0.788SS**  trans67.5141.6150.8161.60000117.4
318E36.4Very low35.9Very low161 Ų161138.2 Ų138.275%0.75279%0.793SS**  cis-168.3161.2-12.6-100.6162.2-154.600105.3
319E36.7Very low36Very low179 Ų179140.3 Ų140.384%0.83679%0.787SS**  cis-157.1-164-11.3179.2156.983.600108.2
320A36.4Very low36Very low91 Ų91142.1 Ų142.175%0.75279%0.788SS**  trans-33.1164.5176.500000120.4
321A36.6Very low36.3Very low89 Ų89140.4 Ų140.474%0.73678%0.783SS**  cis-139.8157.715.200000111.4
322D34.4Very low36.8Very low144 Ų144144.3 Ų144.377%0.7779%0.789SS**  cis67.8127.446.7-126.325.9000111.9
323L35.4Very low37.2Very low154 Ų154142.9 Ų142.981%0.80679%0.785SS**  cis-144.3179.825.1-87.9164.9000114.4
324D34.1Very low36.3Very low154 Ų154145 Ų14582%0.82479%0.79SS**  trans-78.5170.5-173.8-119.5-5.1000117
325P58.7Low36.4Very low101 Ų101144.7 Ų144.766%0.65679%0.787SS**  trans-92.6169.6176.240.6-35.6000112.9
326P47.6Very low36.3Very low118 Ų118138.8 Ų138.877%0.76678%0.778SS**  -159.3160.995.641-21.2000118.9
327M34Very low36.5Very low179 Ų179142.3 Ų142.388%0.88279%0.786SS**  trans41.3123.4135.3-162.1174.8-159.400122.6
328T31.8Very low36.4Very low130 Ų130141.8 Ų141.880%0.79879%0.794SS**  trans-164.5-1731474.40000112.6
329F31.3Very low36.3Very low171 Ų171139.7 Ų139.775%0.7579%0.792SS**  trans-144.9158.8-156.753.7-97.7000115.4
330Y34.8Very low36.4Very low220 Ų220141.1 Ų141.186%0.86380%0.796SS**  trans65.1166.4167.2-86.4-90.8000120.4
331Q33.2Very low36.7Very low179 Ų179142 Ų14284%0.83679%0.794SS**  trans68.8116.5170.4-104.6156.9-1.300116.1
332L36.6Very low37.2Very low141 Ų141142.8 Ų142.874%0.73879%0.792SS**  cis102.811034.1-166.4109.1000111.5
333E39Very low37.1Very low175 Ų175144.5 Ų144.582%0.81880%0.8SS**  trans51.4143.9156.6-68.7178.7123.300123.2
334D38.9Very low37Very low165 Ų165146.1 Ų146.188%0.88280%0.803SS**  trans95.9152153.1-152.127.2000120.8
335A33.2Very low37Very low94 Ų94142.3 Ų142.378%0.77780%0.8SS**  trans64.8140.1-176.300000117.4
336G27.2Very low36.5Very low69 Ų69143.9 Ų143.971%0.71181%0.811SS**  cis-178.4-166.3-1.800000113.9
337D35.4Very low36Very low156 Ų156142.5 Ų142.583%0.83481%0.809SS**  trans56.983.7166.2-66.4-3.9000120
338A32.5Very low35.9Very low108 Ų108141.4 Ų141.489%0.89381%0.812SS**  trans-81.4115.2151.400000110.5
339V35.2Very low35.9Very low117 Ų117138.3 Ų138.371%0.70981%0.806SS**  trans-98.3102.4-178.8-179.90000111.5
340F38Very low37.1Very low208 Ų208136.1 Ų136.191%0.91281%0.809SS**  trans-156.4121.4165-93.8-65.7000113.7
341P42.2Very low38.2Very low110 Ų110130.8 Ų130.871%0.71480%0.801SS**  trans-130.8175.9158.939.6-27000112.4
342P47Very low38.3Very low106 Ų106130.5 Ų130.569%0.68880%0.804SS**  cis-137167.4-39.437.6-23000113.4
343L32.7Very low37.9Very low179 Ų179127.6 Ų127.694%0.93781%0.807SS**  trans-138.6146.9145.7-76.5-178.9000109.5
344Q32.7Very low37.2Very low189 Ų189122.8 Ų122.888%0.88381%0.805SS**  trans-86149.9-178.1-62.3160.1-2.900109
345G34Very low37.7Very low73 Ų73120.6 Ų120.675%0.75380%0.8SS**  cis104.5152.240.900000108.9
346P49Very low37.6Very low135 Ų135121.4 Ų121.488%0.87780%0.799SS**  cis-126-160.9543.2-27000113.1
347A36.2Very low39Very low89 Ų89123.5 Ų123.574%0.73680%0.8SS**  -170.4-173.6-53.700000110.3
348V32.6Very low39.7Very low155 Ų155122 Ų12294%0.93980%0.799SS**  trans103.3142.1176.6-176.90000115.1
349G32.7Very low39.6Very low65 Ų65122.7 Ų122.767%0.6780%0.798SS**  trans-145.2-117-164.800000119.5
350P57Low39.2Very low126 Ų126121 Ų12182%0.81880%0.803SS**  -110.8-157.6-129.644.4-34.9000113.6
351P56Low38.7Very low107 Ų107116.6 Ų116.670%0.69580%0.799SS**  cis-148.5-162.27.830.8-1.6000118.5
352I36.4Very low38.1Very low174 Ų174116 Ų11689%0.89280%0.798SS**  trans92.5133.7153.9-52.6174.1000120.4
353G28.8Very low37.1Very low79 Ų79120.1 Ų120.181%0.81480%0.801SS**  trans152.2132.6146.700000120.3
354G23.8Very low36.9Very low74 Ų74122.3 Ų122.376%0.76380%0.796SS**  trans-171.3-173.5165.200000109.8
355P49.7Very low36.6Very low120 Ų120119.2 Ų119.278%0.77979%0.79SS**  cis-137.4-177.5-5.843.4-25.8000116.2
356S29.7Very low36.6Very low110 Ų110122.3 Ų122.377%0.76979%0.785SS**  trans73.3-172.8150.677.60000120.3
357P57.5Low35.7Very low113 Ų113125.8 Ų125.873%0.73478%0.781SS**  -122.7-156.9-116.239-15.7000112.9
358P49.7Very low35.3Very low124 Ų124127.6 Ų127.681%0.80578%0.783SS**  cis-141.8-153.75.546-24000116.6
359S30.8Very low35.2Very low124 Ų124124.3 Ų124.387%0.86777%0.772SS**  trans-65.4153.7-177.8-43.10000116.9
360G27.1Very low35.1Very low80 Ų80128.4 Ų128.483%0.82578%0.784SS**  trans-177.9106.1168.900000119.6
361S28.1Very low33.8Very low117 Ų117126 Ų12682%0.81878%0.782SS**  trans-5.9122.5150.7-160.60000122.2
362S29Very low32.6Very low98 Ų98132.3 Ų132.369%0.68579%0.792SS**  79.9155.2124.5-163.50000123.8
363Y26.3Very low33.1Very low192 Ų192128.7 Ų128.775%0.75378%0.779SS**  trans71.9134.4152.480.7-97.6000125.1
364R28.4Very low33.9Very low224 Ų224130.1 Ų130.185%0.84577%0.774SS**  trans66.4125.5157.3-63.7174.1-177.2-172.3-0.2118
365V26.8Very low34.1Very low125 Ų125133 Ų13376%0.75878%0.777SS**  cis81116.847.5172.30000113.7
366Q33Very low33.1Very low138 Ų138132 Ų13265%0.64577%0.773SS**  trans-161128.9146.3-148.578.2161.500113.5
367R29.6Very low34.2Very low207 Ų207132.1 Ų132.178%0.78177%0.771SS**  trans26146.1149.8-60174.5-122.4-121.44.6120.4
368T29.2Very low33.7Very low127 Ų127132.2 Ų132.278%0.77977%0.772SS**  cis-128.7146.826.248.40000111.9
369A29.8Very low32.7Very low86 Ų86130.2 Ų130.271%0.71177%0.774SS**  53.6129.872.100000112.9
370V30.5Very low32.6Very low152 Ų152129.2 Ų129.292%0.92177%0.773SS**  cis-141.4150.722.8173.70000111.3
371G30.4Very low33.1Very low76 Ų76132.1 Ų132.178%0.78478%0.775SS**  trans148.199.316400000117.2
372R29.4Very low34Very low239 Ų239132.2 Ų132.290%0.90277%0.773SS**  trans-171169.4171.5-133.7-158.6166.6-142.9-1.5107.4
373P47.5Very low34.1Very low97 Ų97132.4 Ų132.463%0.6378%0.78SS**  cis-118.6-143.3-15.537.7-16.1000108.5
374P44.8Very low34Very low109 Ų109128.9 Ų128.971%0.70878%0.783SS**  cis-130.2-171.4-1546.8-29.9000112.3
375T28.8Very low33.9Very low134 Ų134123.4 Ų123.482%0.82278%0.779SS**  cis-151169.2-7.7-9.50000109.6
376S28.1Very low34.2Very low100 Ų100122.1 Ų122.170%0.69978%0.775SS**  trans-143.4-170.2164.357.60000108.5
377P53Low34.2Very low112 Ų112123.6 Ų123.673%0.72778%0.782SS**  -105.7-124.3-6833.2-14000107.8
378P48.5Very low34.4Very low115 Ų115120.1 Ų120.175%0.74778%0.779SS**  cis-132.3163.5-36.835.6-17.9000116.6
379G27.3Very low34.9Very low83 Ų83120.6 Ų120.686%0.85678%0.777SS**  71.5125.7124.700000123.6
380A29.8Very low35.3Very low102 Ų102124.3 Ų124.384%0.84378%0.78SS**  trans-154.8168.715100000110.1
381T36Very low35.6Very low141 Ų141121.1 Ų121.187%0.86577%0.769SS**  trans-117.9-149.6-164.849.60000114.4
382P48.8Very low35.8Very low120 Ų120124.5 Ų124.578%0.77977%0.769SS**  -126.8172.7-107.841-23.4000116.4
383A29.9Very low35.9Very low101 Ų101119.4 Ų119.484%0.83577%0.765SS**  trans-165.1170159.500000112.8
384C24Very low35.2Very low119 Ų119119.8 Ų119.880%0.80477%0.769SS**  trans-136170.6-178.4-61.80000112.3
385S27.3Very low34.8Very low109 Ų109120.7 Ų120.776%0.76277%0.773SS**  trans75.2127.6163.3-50.80000116.6
386S33.3Very low35Very low98 Ų98120 Ų12069%0.68577%0.768SS**  79.3157.493.590.30000113.5
387E31.3Very low35.4Very low169 Ų169124 Ų12479%0.7978%0.776SS**  cis-149.4-160.310.8-146.8139.910100111.1
388D34.8Very low34.6Very low134 Ų134125 Ų12572%0.71778%0.775SS**  trans-81.4177.5-163.1-64.9-103.8000119.5
389D40Very low33.9Very low137 Ų137127.4 Ų127.473%0.73378%0.777SS**  trans71.7158151.9-75.8-32.1000121.6
390Q37.5Very low34.3Very low163 Ų163127.5 Ų127.576%0.76277%0.769SS**  cis-171.6141.5-25.9-179.2164.2112.900112
391A36Very low34.5Very low85 Ų85130.5 Ų130.570%0.70277%0.766SS**  trans59.9169.4163.900000118.1
392D35.2Very low34Very low148 Ų148133.8 Ų133.879%0.79176%0.764SS**  cis-163.6173.617.6-146.2-17.6000114.5
393V31.8Very low33.4Very low132 Ų132131.9 Ų131.980%0.876%0.758SS**  trans73.3160152.9165.50000121.7
394S33.4Very low33.7Very low104 Ų104136.4 Ų136.473%0.72776%0.762SS**  trans-141.2159.5-157.359.60000116.1
395T35.8Very low34.2Very low128 Ų128140 Ų14079%0.78577%0.767SS**  trans-150128.515829.80000110.3
396V32.4Very low34.5Very low119 Ų119144.7 Ų144.772%0.72177%0.769SS**  64107.193.6118.80000112.3
397E37.7Very low34.5Very low186 Ų186147.1 Ų147.187%0.86978%0.78SS**  66.8117.564.7-71.7-162.6127.100115.8
398D35Very low34.4Very low132 Ų132148.4 Ų148.471%0.70678%0.783SS**  trans-168.9153.4133.8-153.810.7000114.4
399Q34.1Very low34.1Very low166 Ų166145 Ų14578%0.77678%0.779SS**  trans18.3156.9157.4-77.4160.265.300124.1
400A36.9Very low33.5Very low85 Ų85143.5 Ų143.570%0.70279%0.786SS**  cis-174.9-164.3-17.100000108
401E32.7Very low33.2Very low164 Ų164144.6 Ų144.677%0.76679%0.791SS**  cis-161.3-179.71-150.1-171.8-146.300110
402Y27Very low32.9Very low210 Ų210146.3 Ų146.382%0.82479%0.789SS**  trans68.9132.6161.3-108.1-116.4000119.5
403A35.7Very low32.8Very low80 Ų80146.7 Ų146.766%0.66179%0.786SS**  cis-159.9167.4-10.300000112.4
404E34.7Very low32.6Very low197 Ų197145.1 Ų145.192%0.92178%0.781SS**  trans-95.3153.9174.2-56.1178.4107.900112.8
405E34.4Very low32.3Very low194 Ų194151.1 Ų151.191%0.90779%0.789SS**  -162.4163.2123.8-166.2155.9-158.600111.5
406Y33.8Very low31.9Very low207 Ų207151.9 Ų151.981%0.81278%0.784SS**  trans-65.6155.4-175.9-97.9-126.7000116.6
407V35Very low31.7Very low150 Ų150153.5 Ų153.591%0.90979%0.785SS**  -159.5156.8121.2147.70000108.7
408F28.6Very low32Very low196 Ų196150.4 Ų150.486%0.8678%0.781SS**  trans-127139.5-165.8-176.6-82000113
409G27.5Very low31.7Very low61 Ų61147.7 Ų147.763%0.62979%0.785SS**  trans120.3141.6151.400000118.8
410A28.7Very low31.7Very low107 Ų107146.1 Ų146.188%0.88479%0.786SS**  trans65.8154.6174.700000116
411Q31.5Very low31.3Very low185 Ų185152.5 Ų152.586%0.86479%0.793SS**  cis-140.4146.311.2-175.6174-9.100111.5
412D29.8Very low31.2Very low122 Ų122150.5 Ų150.565%0.65279%0.793SS**  trans-137.1156.5175.1-17125.6000110.8
413Q32.4Very low31.2Very low156 Ų156144.5 Ų144.573%0.72979%0.787SS**  trans50124.5167-73168.767.800121.6
414S26.9Very low30.9Very low99 Ų99148.1 Ų148.169%0.69280%0.795SS**  trans-164.3147.4131.461.50000108.6
415Y28.6Very low30.9Very low229 Ų229147.1 Ų147.190%0.89879%0.79SS**  cis-120.7173.812.2-93-101.5000113.4
416Q26.5Very low31.3Very low145 Ų145143.6 Ų143.668%0.67878%0.784SS**  trans-113.5152.2-169.2-125.3-162.34500113.7
417M27.9Very low31.2Very low153 Ų153137.8 Ų137.875%0.75478%0.779SS**  trans45.1170.6133.5-95.5172.44500121.2
418P44.1Very low31Very low120 Ų120135.2 Ų135.278%0.77977%0.773SS**  cis-131.5172.23.840.5-23.8000116.6
419G29.1Very low31Very low76 Ų76132.5 Ų132.578%0.78477%0.773SS**  trans166.2107.5162.300000113.5
420V34.6Very low31.2Very low132 Ų132137.3 Ų137.380%0.878%0.779SS**  trans-112130.8174.5174.10000108.8
421Y27.3Very low31.2Very low219 Ų219137.9 Ų137.986%0.85977%0.767SS**  -176.8166.5127.4-112.2-79.2000111.7
422T31.1Very low31.1Very low123 Ų123136.9 Ų136.976%0.75576%0.762SS**  trans-102.3154-175.4500000114.2
423A27.8Very low31.1Very low84 Ų84137.7 Ų137.769%0.69476%0.762SS**  trans88.6158.2147.400000120.1
424N28.9Very low30.8Very low155 Ų155138.2 Ų138.283%0.82977%0.765SS**  trans86.2113.7164.8-54.9-12.8000119
425E34.5Very low31Very low176 Ų176144.8 Ų144.882%0.82278%0.775SS**  trans-61.4150.5144.6-144.3-169.511700109.2
426P42.4Very low31Very low120 Ų120136.9 Ų136.978%0.77976%0.763SS**  -145.5-179.192.339.1-23000114.3
427A31.6Very low32Very low86 Ų86135.7 Ų135.771%0.71177%0.768SS**  trans-89.7-177.5-173.800000115.8
428A31.2Very low32Very low95 Ų95134.6 Ų134.679%0.78577%0.769SS**  trans93.495.6160.600000120.1
429T29.5Very low31.1Very low139 Ų139136 Ų13685%0.85377%0.77SS**  -166.7131.4129.933.40000105.4
430Q30Very low31Very low162 Ų162137.2 Ų137.276%0.75777%0.767SS**  cis80.8128.436.5-148.1-168-49.600114
431D29Very low31.6Very low119 Ų119136.4 Ų136.464%0.63676%0.764SS**  trans72.3139169.1-62-46.8000122.3
432E30.3Very low31.9Very low164 Ų164131 Ų13177%0.76676%0.758SS**  trans29156.9140.4-62-171.4107.200122.9
433Q28.6Very low31.8Very low139 Ų139135.9 Ų135.965%0.6576%0.763SS**  cis-170.5155.5-25.8170.8158.5-57.300107
434E26.7Very low31.9Very low167 Ų167135.9 Ų135.978%0.7876%0.758SS**  trans51122.2163.5-82.4176.979.800120.6
435R30.5Very low31.9Very low238 Ų238135.6 Ų135.690%0.89876%0.757SS**  -177.6115.9106.7176.9166.8-72.2-142.7-2.4112.1
436G29.2Very low31.6Very low63 Ų63135.2 Ų135.265%0.64976%0.759SS**  trans-96.1-144.516100000111
437P47.8Very low30.7Very low120 Ų120134.6 Ų134.678%0.77975%0.753SS**  cis-138.7178.9-12.541.9-25.8000113.8
438T27.2Very low30.3Very low129 Ų129140.3 Ų140.379%0.79176%0.757SS**  trans179.2149.1144.720.70000107.7
439N25.7Very low29.9Very low150 Ų150140.9 Ų140.980%0.80276%0.756SS**  cis-141.9168.81.8-128.6-34.2000111.2
440S27.2Very low29.7Very low102 Ų102143.5 Ų143.571%0.71375%0.751SS**  trans-98.8-159.4-173.873.40000111.6
441P47.5Very low29.6Very low114 Ų114141.8 Ų141.874%0.7475%0.752SS**  cis-122-175.4-5.143.9-29.9000112.5
442S33.1Very low29.7Very low105 Ų105140.1 Ų140.173%0.73475%0.748SS**  cis-163.6-151.3-23.350.20000105.6
443R29.4Very low29.7Very low226 Ų226141.2 Ų141.285%0.85375%0.753SS**  cis-169.3163.1-0.7-126.8-157167.9-166.5-3.8104.5
444S29.8Very low29.9Very low85 Ų85140.9 Ų140.959%0.59476%0.76SS**  cis-166.5163-17.332.70000108.2
445D28.2Very low30.1Very low149 Ų149139.8 Ų139.880%0.79777%0.765SS**  trans-72.8164.4-172.8-46.3-95.6000116.4
446I28.5Very low30.1Very low168 Ų168137.7 Ų137.786%0.86276%0.762SS**  -178143.1114-89.9156.5000113.2
447T24Very low30.2Very low107 Ų107140.5 Ų140.566%0.65677%0.769SS**  trans-63.9144.6-177.6-29.90000116
448Y23.9Very low29.3Very low205 Ų205143 Ų14380%0.80478%0.775SS**  168.8153.2108.2-110.6-77.4000118.5
449S22.9Very low29.7Very low108 Ų108142.5 Ų142.576%0.75577%0.774SS**  trans67.5124.2146.258.60000121.9
450Y24.3Very low29.9Very low193 Ų193141.5 Ų141.576%0.75777%0.773SS**  trans-93.4145.3163.5161.4-90.3000110.6P452Y450-P452 HydrophobicContact CE1-CB 4.11Å; Y450-P452 HydrophobicContact CE1-CG 3.83Å
451T27Very low30Very low127 Ų127144.3 Ų144.378%0.77978%0.778SS**  trans-137135.5159.7530000110.5
452P31.7Very low29Very low84 Ų84144.4 Ų144.455%0.54578%0.78SS.*  trans-93.4141.7171.933.5-27.8000111.2Y450Y450-P452 HydrophobicContact CE1-CB 4.11Å; Y450-P452 HydrophobicContact CE1-CG 3.83Å
453Q30.2Very low28.7Very low187 Ų187144.9 Ų144.987%0.87478%0.784SS**  trans-132.6138.7163.6-82.6-67.92.400110
454V33.3Very low28.8Very low131 Ų131139.9 Ų139.979%0.79478%0.783SS**  trans-106118.4-165.3174.50000111.3
455V30.1Very low29.4Very low145 Ų145142.1 Ų142.188%0.87980%0.795SS**  trans-138.3151.7163.1-167.70000110.2
456K30.8Very low29.4Very low193 Ų193140.2 Ų140.284%0.83979%0.794SS**  trans-85.3156.5-166.1-61.6159.1-177.5172.10113.1
457P32.4Very low29.3Very low123 Ų123138.3 Ų138.380%0.79980%0.795SS**  trans-84.514117634-34.4000113.2
458L29.1Very low29.8Very low173 Ų173138.9 Ų138.991%0.90680%0.804SS**  trans-146.2156.9160.8-85.5-177.6000110.4
459P35.7Very low30Very low118 Ų118135 Ų13577%0.76681%0.807SS**  trans-91.3169.1-160.835.9-37.5000116
460V28Very low30.4Very low128 Ų128135.1 Ų135.178%0.77681%0.807SS**  trans-81.6136.3178.3176.60000112
461I30.7Very low30.9Very low161 Ų161131.3 Ų131.383%0.82681%0.809SS**  trans-135.7141.3156.3-61.7-176.9000108.4
462C26.3Very low32.3Very low116 Ų116130.8 Ų130.878%0.78481%0.808SS**  trans-93.1150178.2-63.80000112.4
463S27.5Very low32.9Very low116 Ų116132 Ų13281%0.81182%0.816SS**  trans-83.6148.7-173-42.70000113.9
464S30.1Very low32.9Very low120 Ų120128.3 Ų128.384%0.83981%0.811SS**  trans-159.3139.1144.7-77.80000110.5
465P41.9Very low33.7Very low132 Ų132128 Ų12886%0.85781%0.811SS**  trans-98.1171.9-170.238.7-36.7000115.3
466S29.5Very low33.6Very low109 Ų109127.1 Ų127.176%0.76281%0.812SS**  trans-98.2171.1-170-40.10000115.4
467S27Very low33.7Very low128 Ų128129 Ų12990%0.89581%0.814SS**  trans-124.7154154.7-70.80000109.5
468S33.4Very low33.7Very low119 Ų119129.1 Ų129.183%0.83281%0.811SS**  trans-142.1151.9-155.7-49.80000115.9
469S27.3Very low34.4Very low124 Ų124126.9 Ų126.987%0.86781%0.807SS**  trans-151.8-174.2166.366.10000111.3
470S32.3Very low34.1Very low110 Ų110125.9 Ų125.977%0.76981%0.809SS**  trans-161.1151.9-163.956.50000115
471S34.2Very low34.2Very low114 Ų114124 Ų12480%0.79781%0.807SS**  cis-161.2-56.4-14.2-93.50000115.3
472P55.9Low34.2Very low116 Ų116122.7 Ų122.775%0.75381%0.807SS**  trans-130.6-170.3-158.743.3-24.9000113.7
473P45.7Very low34.4Very low109 Ų109126.1 Ų126.171%0.70881%0.811SS**  cis-133.7173.2-3.444-28.2000117
474S30.6Very low34.6Very low110 Ų110127.5 Ų127.577%0.76981%0.808SS**  trans21.6162.1134.2-55.90000125.1
475P50.1Low35.5Very low123 Ų123127 Ų12780%0.79980%0.802SS**  cis-134.1170.1-1338.2-21.8000115.7
476S27Very low35.6Very low127 Ų127126.5 Ų126.589%0.88880%0.799SS**  -171.2176.9118.6-159.40000111.5
477R32.2Very low35.5Very low234 Ų234125.5 Ų125.588%0.88380%0.797SS**  trans-141.3145.6-154.3-166.6-170.2-173.4-178.73.1113.9
478V33.6Very low35.6Very low124 Ų124123.5 Ų123.575%0.75279%0.788SS**  trans-73.2149.9171.4-151.80000111.6
479P44.4Very low35.5Very low126 Ų126127 Ų12782%0.81879%0.791SS**  -137.9-175.9123.738.6-26.1000113.3
480A29.4Very low35.7Very low98 Ų98125.6 Ų125.681%0.8179%0.787SS**  trans-127.3177.3-160.900000115.5
481A28.6Very low35.6Very low88 Ų88129.5 Ų129.573%0.72779%0.793SS**  trans97.3125.2153.900000121.1
482T30.3Very low35.6Very low134 Ų134130.5 Ų130.582%0.82280%0.795SS**  trans46.1116.1143.952.10000121.9
483H31.4Very low34.5Very low188 Ų188135.3 Ų135.387%0.8780%0.798SS**  -172176.599.1-151.8-102.6000112.4
484L31.6Very low33.9Very low145 Ų145136 Ų13676%0.75980%0.803SS**  trans-115.2177.2-178.2-74.4165.2000111.5
485P49Very low34Very low108 Ų108137 Ų13770%0.70180%0.804SS**  cis-124.5-158.9-35.539.5-22.5000110
486P43.8Very low33.1Very low123 Ų123135.8 Ų135.880%0.79980%0.798SS**  cis-117.2-137.1-10.225.12.1000110.4
487A27.3Very low33.4Very low88 Ų88137.3 Ų137.373%0.72779%0.793SS**  cis-161.5169.84.400000114.2
488A28.4Very low33.4Very low85 Ų85131.9 Ų131.970%0.70279%0.786SS**  trans45121.315100000123.4
489H31.9Very low33.5Very low192 Ų192132.1 Ų132.189%0.88978%0.782SS**  trans63.384.7150.9-62.1-60.8000121.6
490A31.6Very low32.8Very low96 Ų96131.1 Ų131.179%0.79378%0.778SS**  -162.8104.4119.500000110.8T492A490-T492 PolarHBondContact O-N 3Å
491Q31.2Very low33.3Very low191 Ų191131.4 Ų131.489%0.89378%0.78SS**  trans-90.991173.8-73.8-174.3-2.200110.9R493Q491-R493 PolarHBondContact O-N 3.27Å; Q491-R493 VanDerWaalsContact O-N 3.17Å
492T32.7Very low33.6Very low136 Ų136131.1 Ų131.183%0.83478%0.778SS**  trans-70.6103.8160.133.70000108.8A490A490-T492 PolarHBondContact O-N 3Å
493R33.9Very low33.8Very low217 Ų217130.4 Ų130.482%0.81977%0.774SS**  trans-57.9131.8178.3-65.6175.9175.3175.7-3.1109.9Q491 V495Q491-R493 PolarHBondContact O-N 3.27Å; Q491-R493 VanDerWaalsContact O-N 3.17Å; R493-V495 PolarHBondContact O-N 2.94Å
494P33.8Very low34.2Very low123 Ų123126 Ų12680%0.79976%0.762SS**  trans-62.3122.9161.527.6-31.9000107.8S496P494-S496 VanDerWaalsContact C-N 3.26Å; P494-S496 PolarHBondContact O-N 2.9Å
495V32.6Very low34.6Very low131 Ų131129.6 Ų129.679%0.79477%0.765SS**  trans-72.690.8171.31790000106.9R493 M497R493-V495 PolarHBondContact O-N 2.94Å; V495-M497 VanDerWaalsContact C-N 3.32Å; V495-M497 HydrophobicContact CG1-CG 4.28Å; V495-M497 PolarHBondContact O-N 3.38Å
496S30.2Very low34.1Very low97 Ų97132.5 Ų132.568%0.67877%0.774SS**  trans-63.396.7170.6-172.50000108.2P494 T498P494-S496 VanDerWaalsContact C-N 3.26Å; P494-S496 PolarHBondContact O-N 2.9Å; S496-T498 VanDerWaalsContact C-N 3.26Å; S496-T498 PolarHBondContact O-N 3.21Å
497M32.9Very low33.7Very low160 Ų160131.6 Ų131.679%0.78877%0.766SS**  trans-71.990.5168.9-66-161.277.300107.3V495 I499V495-M497 VanDerWaalsContact C-N 3.32Å; V495-M497 HydrophobicContact CG1-CG 4.28Å; V495-M497 PolarHBondContact O-N 3.38Å; M497-I499 PolarHBondContact O-N 3Å
498T32.1Very low34.5Very low119 Ų119130.1 Ų130.173%0.7375%0.75SS**  trans-67.978.6170.750.20000109.2S496 S500S496-T498 VanDerWaalsContact C-N 3.26Å; S496-T498 PolarHBondContact O-N 3.21Å; T498-S500 PolarHBondContact O-N 3.01Å; T498-S500 VanDerWaalsContact O-N 3.13Å
499I35.7Very low35.3Very low130 Ų130136.1 Ų136.167%0.66776%0.764SS**  trans-59.9110.7158.6-58.6174.4000105.2M497 A501M497-I499 PolarHBondContact O-N 3Å; I499-A501 PolarHBondContact O-N 3.31Å; I499-A501 VanDerWaalsContact O-N 3.08Å
500S30.6Very low36Very low104 Ų104131.5 Ų131.573%0.72775%0.753SS**  trans-56.1117.7178.3-66.40000109.5T498 A502T498-S500 PolarHBondContact O-N 3.01Å; T498-S500 VanDerWaalsContact O-N 3.13Å; S500-A502 PolarHBondContact O-N 2.78Å
501A40.4Very low36.8Very low105 Ų105129.6 Ų129.687%0.86874%0.743SS**  trans-74.159.1177.700000111.4I499I499-A501 PolarHBondContact O-N 3.31Å; I499-A501 VanDerWaalsContact O-N 3.08Å
502A33.5Very low37.2Very low81 Ų81127 Ų12767%0.66973%0.731SS**  trans-107.577.3171.400000107.9S500 P504S500-A502 PolarHBondContact O-N 2.78Å; A502-P504 WeakPolarHBondContact O-CD 3.38Å
503T35.6Very low37.5Very low120 Ų120125.9 Ų125.974%0.73673%0.726SS**  trans-102.481.6172.1-48.20000108.7
504P39.8Very low37.7Very low96 Ų96121.7 Ų121.762%0.62372%0.719SS**  trans-72.5134.9177.633-36.7000110A502A502-P504 WeakPolarHBondContact O-CD 3.38Å
505W38.9Very low38.1Very low220 Ų220121.9 Ų121.983%0.83372%0.722SS**  trans70.271.5168-40.5113000117.7V507W505-V507 HydrophobicContact CE3-CG2 4.1Å
506L38.6Very low38.5Very low168 Ų168120.2 Ų120.288%0.8871%0.712SS**  trans-107.989.2139.5-81.2174.5000108.9
507V35.9Very low39.2Very low105 Ų105122 Ų12264%0.63672%0.718SS**  trans-87.6127.1171.1169.70000108.2W505W505-V507 HydrophobicContact CE3-CG2 4.1Å
508S43.8Very low39.7Very low57 Ų57121.6 Ų121.640%0.39972%0.719SS.*  trans-77.5155.2169.8-163.30000110.3S510 G511S508-S510 PolarHBondContact O-N 3.28Å; S508-G511 PolarHBondContact O-N 3.42Å
509E45.4Very low40.4Very low210 Ų210119.6 Ų119.698%0.98171%0.714SS**THydrogen-bonded Turntrans-61.5-13.7-169.6-153173.6135.900114.5
510S47.5Very low41Very low96 Ų96117.3 Ų117.367%0.67171%0.708SS**THydrogen-bonded Turntrans-94.6-1.8174.858.60000115.6S508 E512S508-S510 PolarHBondContact O-N 3.28Å; S510-E512 VanDerWaalsContact C-N 3.33Å; S510-E512 PolarHBondContact O-N 3.45Å
511G48.2Very low41.8Very low56 Ų56117.5 Ų117.558%0.57771%0.707SS**  trans79.2-2.6174.100000117.3S508S508-G511 PolarHBondContact O-N 3.42Å
512E39.5Very low42.7Very low137 Ų137118.2 Ų118.264%0.6470%0.702SS**  trans-75137.4178.8-81.8-69.9130.700113S510 L514S510-E512 VanDerWaalsContact C-N 3.33Å; S510-E512 PolarHBondContact O-N 3.45Å; E512-L514 PolarHBondContact O-N 3.01Å; E512-L514 VanDerWaalsContact O-N 3.12Å
513P38.6Very low44.1Very low111 Ų111120.6 Ų120.672%0.72170%0.695SS**  trans-8092.9-179.532.3-34.4000112C515P513-C515 VanDerWaalsContact C-N 3.33Å; P513-C515 PolarHBondContact O-N 2.86Å
514L38.6Very low45.7Very low129 Ų129117.6 Ų117.668%0.67568%0.679SS**  trans-68.283.4175.5-74.6171.6000112.5E512 T516E512-L514 PolarHBondContact O-N 3.01Å; E512-L514 VanDerWaalsContact O-N 3.12Å; L514-T516 PolarHBondContact O-N 3.36Å
515C42.7Very low47.2Very low127 Ų127121.8 Ų121.886%0.85868%0.684SS**  trans-75.447.9168.5-160.20000112P513P513-C515 VanDerWaalsContact C-N 3.33Å; P513-C515 PolarHBondContact O-N 2.86Å
516T40.1Very low49Very low96 Ų96113 Ų11359%0.58965%0.653SS**  trans-91.8110.8169.6-56.50000107.5L514 L518L514-T516 PolarHBondContact O-N 3.36Å; T516-L518 HydrophobicContact CG2-CG 4.45Å; T516-L518 PolarHBondContact O-N 3.29Å
517V44.8Very low50.6Low134 Ų134111.2 Ų111.281%0.81265%0.651SS**  trans-69.683.1170.3-177.30000108.4A519V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 2.93Å
518L44.4Very low52.6Low153 Ų153113.1 Ų113.180%0.80166%0.658SS**  trans-62.4102.3160.3-72.6173.1000106.4T516T516-L518 HydrophobicContact CG2-CG 4.45Å; T516-L518 PolarHBondContact O-N 3.29Å
519A45.3Very low54.1Low76 Ų76111.5 Ų111.563%0.62865%0.65SS**PPolyproline II helixtrans-51.7139.7170.600000108.7V517V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 2.93Å
520P47.9Very low55.7Low82 Ų82106.1 Ų106.153%0.53264%0.636SS.*PPolyproline II helixtrans-53.6138.8175.324-33.5000108.6Y523P520-Y523 HydrophobicContact CB-CE2 4.32Å; P520-Y523 HydrophobicContact CG-CE2 4.46Å
521P48.7Very low57.5Low109 Ų109105.4 Ų105.471%0.70863%0.625SS**PPolyproline II helixtrans-53.5133.9-178.523.3-33.6000108.5Y523P521-Y523 PolarHBondContact O-N 3.22Å
522P58.2Low59.2Low120 Ų120106.2 Ų106.278%0.77962%0.616SS**PPolyproline II helixtrans-56.8119.5-168.621.7-33000109.5
523Y62.9Low61.4Low130 Ų130102.9 Ų102.951%0.5161%0.606SS.*PPolyproline II helixtrans-57.6151.2172-63.4-81.2000109.2P520 P521 Y525P520-Y523 HydrophobicContact CB-CE2 4.32Å; P520-Y523 HydrophobicContact CG-CE2 4.46Å; P521-Y523 PolarHBondContact O-N 3.22Å; Y523-Y525 WeakPolarHBondContact O-CD2 3.5Å; Y523-Y525 WeakPolarHBondContact O-CE2 3.43Å; Y523-Y525 PolarHBondContact O-N 2.8Å
524S70.9Confident63.6Low58 Ų58109.4 Ų109.441%0.40662%0.616SS.*PPolyproline II helixtrans-61.4122.6165.2170.60000108D531S524-D531 VanDerWaalsContact CA-OD2 3.31Å; S524-D531 WeakPolarHBondContact CA-OD2 3.29Å; S524-D531 WeakPolarHBondContact CB-OD1 3.42Å; S524-D531 PolarHBondContact OG-OD1 2.93Å; S524-D531 PolarHBondContact OG-OD2 3.12Å
525Y69.3Low66.1Low183 Ų183107.1 Ų107.172%0.71860%0.604SS**  trans-112.3-17.2-176.6-76.9-71.3000112Y523 P527 D531Y523-Y525 WeakPolarHBondContact O-CD2 3.5Å; Y523-Y525 WeakPolarHBondContact O-CE2 3.43Å; Y523-Y525 PolarHBondContact O-N 2.8Å; Y525-P527 WeakPolarHBondContact O-CD 3.04Å; Y525-D531 PolarHBondContact N-OD2 3.01Å
526D78.7Confident68Low37 Ų37105.9 Ų105.920%0.19860%0.596CS.*  trans-79.1117171.7178.215.9000110.7N528 G529 S530 D531D526-N528 PolarHBondContact O-N 3.39Å; D526-N528 VanDerWaalsContact O-N 3.08Å; D526-N528 WeakPolarHBondContact OD1-CB 3.41Å; D526-N528 PolarHBondContact OD1-N 3.08Å; D526-N528 PolarHBondContact OD1-ND2 2.87Å; D526-G529 PolarHBondContact O-N 2.63Å; D526-S530 WeakPolarHBondContact OD2-CB 3.27Å; D526-S530 PolarHBondContact OD2-N 2.91Å; D526-S530 PolarHBondContact OD2-OG 2.78Å; D526-D531 PolarHBondContact N-OD2 3.24Å
527P71.3Confident70.2Confident129 Ų129110.7 Ų110.784%0.83860%0.603SS**THydrogen-bonded Turntrans-63.3-14175.827.8-36.2000113.8Y525Y525-P527 WeakPolarHBondContact O-CD 3.04Å
528N77Confident72.2Confident145 Ų145106.8 Ų106.878%0.77558%0.58SS**THydrogen-bonded Turntrans-88.4-6.2172.3-48.6-84.1000112.9D526 S530D526-N528 PolarHBondContact O-N 3.39Å; D526-N528 VanDerWaalsContact O-N 3.08Å; D526-N528 WeakPolarHBondContact OD1-CB 3.41Å; D526-N528 PolarHBondContact OD1-N 3.08Å; D526-N528 PolarHBondContact OD1-ND2 2.87Å; N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact O-N 3.4Å
529G75.7Confident74.3Confident23 Ų23101.8 Ų101.824%0.23756%0.555CS.*  trans66.723.2179.700000115.1D526 D531 L532D526-G529 PolarHBondContact O-N 2.63Å; G529-D531 PolarHBondContact O-N 2.55Å; G529-L532 WeakPolarHBondContact O-CB 3.41Å; G529-L532 PolarHBondContact O-N 2.71Å; G529-L532 VanDerWaalsContact O-N 3.09Å
530S80.1Confident76.2Confident98 Ų98103.8 Ų103.869%0.68555%0.552SS**THydrogen-bonded Turntrans-71.6-12.3179.374.10000113.9D526 N528D526-S530 WeakPolarHBondContact OD2-CB 3.27Å; D526-S530 PolarHBondContact OD2-N 2.91Å; D526-S530 PolarHBondContact OD2-OG 2.78Å; N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact O-N 3.4Å
531D83.8Confident78.2Confident80 Ų80106.5 Ų106.543%0.42855%0.552SS.*THydrogen-bonded Turntrans-84.2-10.2170.357.68.6000113.7S524 Y525 D526 G529S524-D531 VanDerWaalsContact CA-OD2 3.31Å; S524-D531 WeakPolarHBondContact CA-OD2 3.29Å; S524-D531 WeakPolarHBondContact CB-OD1 3.42Å; S524-D531 PolarHBondContact OG-OD1 2.93Å; S524-D531 PolarHBondContact OG-OD2 3.12Å; Y525-D531 PolarHBondContact N-OD2 3.01Å; D526-D531 PolarHBondContact N-OD2 3.24Å; G529-D531 PolarHBondContact O-N 2.55Å
532L84.1Confident80Confident74 Ų74108.3 Ų108.339%0.38755%0.546SS..SBendtrans-82.4155.6174.9-64.3175.4000112.2G529 R534 V539G529-L532 WeakPolarHBondContact O-CB 3.41Å; G529-L532 PolarHBondContact O-N 2.71Å; G529-L532 VanDerWaalsContact O-N 3.09Å; L532-R534 PolarHBondContact O-N 2.76Å; L532-V539 HydrophobicContact CB-CG2 4.33Å
533P85.9Confident81.4Confident67 Ų67110.3 Ų110.344%0.43554%0.539SS..  trans-55127.8169.5-25.534.7000112D535 V538 V539P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.12Å; P533-V538 HydrophobicContact CB-CB 4.24Å; P533-V538 HydrophobicContact CB-CG1 3.96Å; P533-V538 HydrophobicContact CG-CG1 4.06Å; P533-V539 HydrophobicContact CB-CG2 4.29Å; P533-V539 WeakPolarHBondContact O-CG2 3.44Å
534R84.6Confident82.7Confident247 Ų247107.7 Ų107.793%0.93253%0.534SS*.SBendtrans-66.6-11.6179.9-64.1-175.5-178.2-177.70.1114.7L532L532-R534 PolarHBondContact O-N 2.76Å
535D90.8Very high83.5Confident81 Ų81108 Ų10843%0.43353%0.531SS..  trans-85.8108.4171.7-176.3-5.8000110.1P533 R537 V538 V539P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.12Å; D535-R537 PolarHBondContact O-N 3.46Å; D535-R537 VanDerWaalsContact O-N 3.08Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.41Å; D535-R537 PolarHBondContact OD1-N 3.09Å; D535-V538 HydrophobicContact CB-CB 4.27Å; D535-V538 HydrophobicContact CB-CG2 3.91Å; D535-V538 WeakPolarHBondContact O-CB 3.31Å; D535-V538 PolarHBondContact O-N 2.98Å; D535-V539 PolarHBondContact O-N 3.44Å; D535-V539 VanDerWaalsContact O-N 3.13Å
536C84.1Confident84.4Confident101 Ų101101.2 Ų101.268%0.68252%0.517SS*.Hα-helixtrans-53.9-27.7176.9-55.50000113.3Q540C536-Q540 WeakPolarHBondContact O-CB 2.97Å; C536-Q540 PolarHBondContact O-N 3.17Å
537R85.8Confident84.7Confident197 Ų197101.9 Ų101.974%0.74352%0.522SS*.Hα-helixtrans-70.8-37.3176.6-61.9178.3172.3-172.9-2.1112D535 Y541D535-R537 PolarHBondContact O-N 3.46Å; D535-R537 VanDerWaalsContact O-N 3.08Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.41Å; D535-R537 PolarHBondContact OD1-N 3.09Å; R537-Y541 WeakPolarHBondContact O-CB 3.4Å; R537-Y541 PolarHBondContact O-N 2.96Å
538V87.3Confident85.3Confident53 Ų53102 Ų10232%0.32151%0.511SS..Hα-helixtrans-69.3-43.4176178.30000109.8P533 D535 Y541 Y542P533-V538 HydrophobicContact CB-CB 4.24Å; P533-V538 HydrophobicContact CB-CG1 3.96Å; P533-V538 HydrophobicContact CG-CG1 4.06Å; D535-V538 HydrophobicContact CB-CB 4.27Å; D535-V538 HydrophobicContact CB-CG2 3.91Å; D535-V538 WeakPolarHBondContact O-CB 3.31Å; D535-V538 PolarHBondContact O-N 2.98Å; V538-Y541 PolarHBondContact O-N 2.93Å; V538-Y542 HydrophobicContact CG1-CD2 3.81Å; V538-Y542 HydrophobicContact CG1-CE2 3.69Å; V538-Y542 VanDerWaalsContact O-CD2 3.27Å; V538-Y542 WeakPolarHBondContact O-CD2 3.44Å; V538-Y542 PolarHBondContact O-N 3.13Å; V538-Y542 VanDerWaalsContact O-N 3.09Å
539V87.4Confident85.3Confident47 Ų47102.2 Ų102.229%0.28550%0.501SS..Hα-helixtrans-60.7-46.9173.5179.40000111L532 P533 D535 Y541 Y542 Y543L532-V539 HydrophobicContact CB-CG2 4.33Å; P533-V539 HydrophobicContact CB-CG2 4.29Å; P533-V539 WeakPolarHBondContact O-CG2 3.44Å; D535-V539 PolarHBondContact O-N 3.44Å; D535-V539 VanDerWaalsContact O-N 3.13Å; V539-Y541 VanDerWaalsContact C-N 3.34Å; V539-Y541 PolarHBondContact O-N 3.08Å; V539-Y542 PolarHBondContact O-N 2.78Å; V539-Y543 VanDerWaalsContact O-CB 3.27Å; V539-Y543 WeakPolarHBondContact O-CB 3.19Å; V539-Y543 PolarHBondContact O-N 3.41Å
540Q86.4Confident85.4Confident118 Ų118107.8 Ų107.855%0.55152%0.519SS*.Hα-helixtrans-61.8-39.8177.8-173.8178.427.900112.3C536 N544C536-Q540 WeakPolarHBondContact O-CB 2.97Å; C536-Q540 PolarHBondContact O-N 3.17Å; Q540-N544 VanDerWaalsContact O-CB 3.32Å; Q540-N544 WeakPolarHBondContact O-CB 3.39Å; Q540-N544 PolarHBondContact O-N 3.12Å; Q540-N544 PolarHBondContact O-ND2 3.04Å
541Y89.5Confident85.1Confident139 Ų139108.2 Ų108.255%0.54551%0.51SS..Hα-helixtrans-60.5-52.9175.6173.5-97.7000111.7R537 V538 V539 N544 L545R537-Y541 WeakPolarHBondContact O-CB 3.4Å; R537-Y541 PolarHBondContact O-N 2.96Å; V538-Y541 PolarHBondContact O-N 2.93Å; V539-Y541 VanDerWaalsContact C-N 3.34Å; V539-Y541 PolarHBondContact O-N 3.08Å; Y541-N544 PolarHBondContact O-N 2.98Å; Y541-L545 HydrophobicContact CE1-CD2 4.33Å; Y541-L545 WeakPolarHBondContact O-CB 3.28Å; Y541-L545 PolarHBondContact O-N 3.5Å
542Y86.7Confident84.5Confident147 Ų147109.6 Ų109.658%0.57651%0.514SS*.Hα-helixtrans-69.6-33-179.4-73.9-64.5000113.1V538 V539 L545 G546V538-Y542 HydrophobicContact CG1-CD2 3.81Å; V538-Y542 HydrophobicContact CG1-CE2 3.69Å; V538-Y542 VanDerWaalsContact O-CD2 3.27Å; V538-Y542 WeakPolarHBondContact O-CD2 3.44Å; V538-Y542 PolarHBondContact O-N 3.13Å; V538-Y542 VanDerWaalsContact O-N 3.09Å; V539-Y542 PolarHBondContact O-N 2.78Å; Y542-L545 HydrophobicContact CD1-CD2 4.24Å; Y542-L545 PolarHBondContact O-N 2.85Å; Y542-G546 PolarHBondContact O-N 2.9Å
543Y87.1Confident83.9Confident162 Ų162107.8 Ų107.864%0.63551%0.508SS*.Hα-helixtrans-60.9-50.7170.8176.9-95.1000111.4V539 L545 G546 V547V539-Y543 VanDerWaalsContact O-CB 3.27Å; V539-Y543 WeakPolarHBondContact O-CB 3.19Å; V539-Y543 PolarHBondContact O-N 3.41Å; Y543-L545 VanDerWaalsContact C-N 3.31Å; Y543-L545 PolarHBondContact O-N 3.05Å; Y543-G546 PolarHBondContact O-N 3.33Å; Y543-V547 HydrophobicContact CD1-CG2 4.3Å; Y543-V547 HydrophobicContact CE1-CG2 3.85Å; Y543-V547 HydrophobicContact CE2-CG2 4.28Å; Y543-V547 WeakPolarHBondContact O-CG2 3.2Å; Y543-V547 PolarHBondContact O-N 2.76Å
544N89.8Confident83Confident75 Ų75106.9 Ų106.940%0.40150%0.503SS..Hα-helixtrans-60.6-40.8178-71.8-14.5000111.7Q540 Y541 V547 Q548Q540-N544 VanDerWaalsContact O-CB 3.32Å; Q540-N544 WeakPolarHBondContact O-CB 3.39Å; Q540-N544 PolarHBondContact O-N 3.12Å; Q540-N544 PolarHBondContact O-ND2 3.04Å; Y541-N544 PolarHBondContact O-N 2.98Å; N544-V547 PolarHBondContact O-N 3.05Å; N544-Q548 WeakPolarHBondContact O-CG 3.49Å; N544-Q548 PolarHBondContact O-N 2.87Å
545L88Confident81.7Confident64 Ų64102.8 Ų102.834%0.33549%0.487SS..Hα-helixtrans-63.8-42.2176.3-173.864.5000111.9Y541 Y542 Y543 Q548 W549Y541-L545 HydrophobicContact CE1-CD2 4.33Å; Y541-L545 WeakPolarHBondContact O-CB 3.28Å; Y541-L545 PolarHBondContact O-N 3.5Å; Y542-L545 HydrophobicContact CD1-CD2 4.24Å; Y542-L545 PolarHBondContact O-N 2.85Å; Y543-L545 VanDerWaalsContact C-N 3.31Å; Y543-L545 PolarHBondContact O-N 3.05Å; L545-Q548 PolarHBondContact O-N 3.28Å; L545-W549 PolarHBondContact O-N 3.05Å
546G88.8Confident80.2Confident41 Ų41104 Ų10442%0.42349%0.49SS..Hα-helixtrans-64.2-39.9174.700000113.1Y542 Y543 W549 F550Y542-G546 PolarHBondContact O-N 2.9Å; Y543-G546 PolarHBondContact O-N 3.33Å; G546-W549 PolarHBondContact O-N 3.42Å; G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.02Å
547V83.9Confident79Confident52 Ų52106.7 Ų106.732%0.31549%0.493SS..Hα-helixtrans-64.9-42.1174.4169.80000111.4Y543 N544 F550 H551Y543-V547 HydrophobicContact CD1-CG2 4.3Å; Y543-V547 HydrophobicContact CE1-CG2 3.85Å; Y543-V547 HydrophobicContact CE2-CG2 4.28Å; Y543-V547 WeakPolarHBondContact O-CG2 3.2Å; Y543-V547 PolarHBondContact O-N 2.76Å; N544-V547 PolarHBondContact O-N 3.05Å; V547-F550 PolarHBondContact O-N 2.95Å; V547-H551 PolarHBondContact O-CD2 2.93Å; V547-H551 VanDerWaalsContact O-CD2 3.29Å; V547-H551 PolarHBondContact O-N 2.88Å
548Q83.8Confident77.6Confident130 Ų130103.7 Ų103.761%0.60749%0.487SS*.Hα-helixtrans-60.9-45174.1-73.8174.62.500111.8N544 L545 H551 Q552N544-Q548 WeakPolarHBondContact O-CG 3.49Å; N544-Q548 PolarHBondContact O-N 2.87Å; L545-Q548 PolarHBondContact O-N 3.28Å; Q548-H551 PolarHBondContact O-N 2.9Å; Q548-Q552 WeakPolarHBondContact O-CB 3.47Å; Q548-Q552 PolarHBondContact O-N 3.19Å
549W76.9Confident76.1Confident150 Ų150104.6 Ų104.657%0.56850%0.5SS*.Hα-helixtrans-61.9-44.7175.2-111.4106.2000112.5L545 G546 H551 Q552 S553L545-W549 PolarHBondContact O-N 3.05Å; G546-W549 PolarHBondContact O-N 3.42Å; W549-H551 PolarHBondContact O-N 3.12Å; W549-Q552 PolarHBondContact O-N 3.13Å; W549-S553 PolarHBondContact O-N 3.15Å; W549-S553 PolarHBondContact O-OG 3.36Å
550F78.6Confident74.3Confident141 Ų141111.2 Ų111.262%0.61852%0.521SS*.Hα-helixtrans-59.5-45.5177.2175.8-99.3000111.9G546 V547 C554G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.02Å; V547-F550 PolarHBondContact O-N 2.95Å; F550-C554 WeakPolarHBondContact O-CB 3.48Å; F550-C554 PolarHBondContact O-N 3.39Å
551H73.6Confident72.5Confident107 Ų107110.8 Ų110.850%0.49553%0.529SS..Hα-helixtrans-60.6-46174.4-84.8-70.2000111.9V547 Q548 W549 C554 W555V547-H551 PolarHBondContact O-CD2 2.93Å; V547-H551 VanDerWaalsContact O-CD2 3.29Å; V547-H551 PolarHBondContact O-N 2.88Å; Q548-H551 PolarHBondContact O-N 2.9Å; W549-H551 PolarHBondContact O-N 3.12Å; H551-C554 PolarHBondContact O-N 3.28Å; H551-W555 PolarHBondContact O-N 3.47Å
552Q71.2Confident70.5Confident109 Ų109109.4 Ų109.451%0.50954%0.537SS..Hα-helixtrans-62.4-45.4-179.8-171.4169.2103.300112.3Q548 W549 W555 Q556Q548-Q552 WeakPolarHBondContact O-CB 3.47Å; Q548-Q552 PolarHBondContact O-N 3.19Å; W549-Q552 PolarHBondContact O-N 3.13Å; Q552-W555 PolarHBondContact O-N 3.49Å; Q552-Q556 WeakPolarHBondContact O-CG 3.47Å; Q552-Q556 PolarHBondContact O-N 3.31Å
553S72.1Confident68.5Low36 Ų36108.6 Ų108.625%0.25255%0.549SS..Hα-helixtrans-64.5-38.4175.3-65.30000112.9W549 Q556 Q557W549-S553 PolarHBondContact O-N 3.15Å; W549-S553 PolarHBondContact O-OG 3.36Å; S553-Q556 PolarHBondContact O-N 3.22Å; S553-Q557 WeakPolarHBondContact O-CG 3.4Å; S553-Q557 PolarHBondContact O-N 3.35Å
554C67.5Low66.5Low48 Ų48107.4 Ų107.432%0.32456%0.559SS.*Hα-helixtrans-66.9-35.5178.1-171.20000112.2F550 H551 Q558F550-C554 WeakPolarHBondContact O-CB 3.48Å; F550-C554 PolarHBondContact O-N 3.39Å; H551-C554 PolarHBondContact O-N 3.28Å; C554-Q558 WeakPolarHBondContact O-CG 3.4Å; C554-Q558 PolarHBondContact O-N 2.75Å; C554-Q558 PolarHBondContact O-NE2 3.03Å
555W56.7Low64.3Low161 Ų161108.1 Ų108.161%0.6157%0.57SS**Hα-helixtrans-68.4-42.2170-79.2114.7000112.3H551 Q552 Q557 Q558 A559H551-W555 PolarHBondContact O-N 3.47Å; Q552-W555 PolarHBondContact O-N 3.49Å; W555-Q557 PolarHBondContact O-N 3.47Å; W555-Q558 PolarHBondContact O-N 3.41Å; W555-Q558 VanDerWaalsContact O-N 3.09Å; W555-A559 PolarHBondContact O-N 3.01Å
556Q58.9Low62.2Low107 Ų107110.1 Ų110.150%0.559%0.587SS.*Hα-helixtrans-62.3-39.6177.9-73.3175.310.500112.7Q552 S553 Q558 A559 Y560Q552-Q556 WeakPolarHBondContact O-CG 3.47Å; Q552-Q556 PolarHBondContact O-N 3.31Å; S553-Q556 PolarHBondContact O-N 3.22Å; Q556-Q558 PolarHBondContact O-N 2.71Å; Q556-A559 PolarHBondContact O-N 3.17Å; Q556-Y560 PolarHBondContact O-N 2.86Å
557Q59.3Low59.7Low156 Ų156116.9 Ų116.973%0.72961%0.607SS**Hα-helixtrans-68-17.1174.7-71.4-179.730.400114.1S553 W555S553-Q557 WeakPolarHBondContact O-CG 3.4Å; S553-Q557 PolarHBondContact O-N 3.35Å; W555-Q557 PolarHBondContact O-N 3.47Å
558Q57Low57.5Low135 Ų135124.9 Ų124.963%0.63163%0.633SS**Hα-helixtrans-92-22.4172.3-72.1170.168.600112.4C554 W555 Q556C554-Q558 WeakPolarHBondContact O-CG 3.4Å; C554-Q558 PolarHBondContact O-N 2.75Å; C554-Q558 PolarHBondContact O-NE2 3.03Å; W555-Q558 PolarHBondContact O-N 3.41Å; W555-Q558 VanDerWaalsContact O-N 3.09Å; Q556-Q558 PolarHBondContact O-N 2.71Å
559A54.9Low55.6Low71 Ų71126.9 Ų126.959%0.58765%0.647SS**Hα-helixtrans-81.1-25.2178.200000113.6W555 Q556W555-A559 PolarHBondContact O-N 3.01Å; Q556-A559 PolarHBondContact O-N 3.17Å
560Y49.4Very low54Low186 Ų186123 Ų12373%0.72965%0.654SS**SBendtrans-125.3114.1176.3-69.3-86.3000110.5Q556Q556-Y560 PolarHBondContact O-N 2.86Å
561P48.1Very low52Low110 Ų110125.8 Ų125.871%0.71467%0.669SS**  trans-63.4148.316729-33.8000109.5
562P49Very low50.5Low110 Ų110129.1 Ų129.171%0.71469%0.685SS**  trans-59.6142.5173.826.6-34.2000109.6T564P562-T564 PolarHBondContact O-N 2.95Å
563P44Very low49.7Very low129 Ų129129.2 Ų129.284%0.83870%0.695SS**  trans-61.9115.817725.5-33.2000109.2S565P563-S565 PolarHBondContact O-N 2.76Å
564T44.3Very low48.6Very low137 Ų137132.7 Ų132.784%0.8472%0.717SS**  trans-61.3105.717549.60000109.1P562P562-T564 PolarHBondContact O-N 2.95Å
565S45.3Very low47.9Very low91 Ų91136 Ų13664%0.63674%0.738SS**  trans-58.6130.8170.139.50000108.7P563 H567P563-S565 PolarHBondContact O-N 2.76Å; S565-H567 PolarHBondContact O-N 2.99Å; S565-H567 VanDerWaalsContact O-N 3.13Å
566P43.4Very low47.4Very low105 Ų105140.9 Ų140.968%0.68277%0.767SS**  trans-64.9119.5175.126-32.5000108.6Y568P566-Y568 PolarHBondContact O-N 2.67Å
567H36.6Very low46.8Very low183 Ų183142.6 Ų142.685%0.84778%0.78SS**  trans-63.898.6172.2-83.8-93.5000109.4S565 L569S565-H567 PolarHBondContact O-N 2.99Å; S565-H567 VanDerWaalsContact O-N 3.13Å; H567-L569 PolarHBondContact O-N 3.2Å
568Y37.9Very low46.2Very low221 Ų221141.8 Ų141.887%0.86778%0.783SS**  trans-69.1109.7163.4-94.7-86.5000108.8P566 G570P566-Y568 PolarHBondContact O-N 2.67Å; Y568-G570 PolarHBondContact O-N 2.9Å
569L42.4Very low45.6Very low171 Ų171142.2 Ų142.290%0.89579%0.791SS**  trans-82.6112.3179.7-164.690.7000109.8H567H567-L569 PolarHBondContact O-N 3.2Å
570G43.7Very low45Very low70 Ų70146.4 Ų146.472%0.72280%0.803SS**  trans70.4104.8158.500000117.8Y568Y568-G570 PolarHBondContact O-N 2.9Å
571Q36.3Very low44.8Very low199 Ų199143.9 Ų143.993%0.9381%0.808SS**  trans-129.2138.8136.2-87.7-168.1-1400109.7
572E41.6Very low44.5Very low176 Ų176146.2 Ų146.282%0.82281%0.814SS**PPolyproline II helixtrans-80.9136.8179.5-176.1179.1111.800110
573P55.1Low44.2Very low111 Ų111148.8 Ų148.872%0.72182%0.821SS**PPolyproline II helixtrans-73.6131.6173.230.3-32.6000110.2
574P49Very low44.3Very low110 Ų110150.3 Ų150.371%0.71482%0.82SS**PPolyproline II helixtrans-67.9143.1178.828.7-34.9000111.2
575P52.7Low44.3Very low118 Ų118151.4 Ų151.477%0.76682%0.818SS**PPolyproline II helixtrans-74.5140.5178.430.4-34.7000112.2
576H47.1Very low44.2Very low262 Ų262156.9 Ų156.9100%1.21383%0.834SS**  trans-142.40167.8-95.8-54000109.9

Retrieved 576 of 576 residues in 134 ms (Link to these results)