A0A077YZG6_TRITR Loading...

Integrin beta

AlphaFold DB , UniProt , Accession A0A077YZG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low32.7Very low243 Ų243170.5 Ų170.5100%1.19788%0.881SS**  0125.70-76.6-176.7175.700107.5
2A32.7Very low32.3Very low99 Ų99162.6 Ų162.682%0.81887%0.873SS**  trans66.9136.1-178.200000116.9
3K32.5Very low32.5Very low200 Ų200163.8 Ų163.887%0.8788%0.878SS**  cis-159.7132.3-14.9-104.4178.7179-178.60103.4
4G27.9Very low32.5Very low78 Ų78162.9 Ų162.980%0.80487%0.873SS**  trans-64.1135.9176.500000111.1E6G4-E6 PolarHBondContact O-N 3.1Å
5F34.6Very low32.5Very low211 Ų211159.5 Ų159.593%0.92587%0.867SS**  trans-81105.3170.4-121-99.9000107.5
6E30Very low32.5Very low174 Ų174161.6 Ų161.681%0.81387%0.865SS**PPolyproline II helixtrans-68.8133.1164.6-78.6170.5111.100109G4 T8G4-E6 PolarHBondContact O-N 3.1Å; E6-T8 PolarHBondContact O-N 2.72Å
7P36.3Very low32.6Very low123 Ų123163.2 Ų163.280%0.79987%0.866SS**PPolyproline II helixtrans-70.6121167.428.9-29.7000108.4Q9P7-Q9 PolarHBondContact O-N 3.33Å
8T33.6Very low32.9Very low132 Ų132160.9 Ų160.981%0.8186%0.859SS**PPolyproline II helixtrans-48.4118.4175.17.40000111.4E6 H10E6-T8 PolarHBondContact O-N 2.72Å; T8-H10 PolarHBondContact O-N 2.84Å
9Q30.3Very low32.9Very low187 Ų187159.3 Ų159.387%0.87486%0.855SS**PPolyproline II helixtrans-55.5117163.5-73.9179.4-8.400109.3P7 R11P7-Q9 PolarHBondContact O-N 3.33Å; Q9-R11 PolarHBondContact O-N 2.86Å
10H37.3Very low33.2Very low191 Ų191157.2 Ų157.288%0.88485%0.849SS**  trans-67102.3161.2-91.2-78.7000108.4T8 G12T8-H10 PolarHBondContact O-N 2.84Å; H10-G12 PolarHBondContact O-N 3.2Å
11R33.2Very low33.5Very low237 Ų237153.9 Ų153.989%0.89484%0.837SS**  trans-46.3132.2162.1-101.6178.3176.5168.7-0.5109.6Q9 L13Q9-R11 PolarHBondContact O-N 2.86Å; R11-L13 PolarHBondContact O-N 3.11Å
12G27.9Very low34Very low76 Ų76147.2 Ų147.278%0.78481%0.813SS**  trans-50.1125.2179.800000113.4H10 N14H10-G12 PolarHBondContact O-N 3.2Å; G12-N14 PolarHBondContact O-N 2.84Å
13L35.4Very low34.2Very low179 Ų179150.7 Ų150.794%0.93782%0.817SS**  trans-73.7107.7151.4-92.5134.6000106.9R11 S15R11-L13 PolarHBondContact O-N 3.11Å; L13-S15 PolarHBondContact O-N 3.47Å
14N31.8Very low34.5Very low151 Ų151143.9 Ų143.981%0.80780%0.803SS**  trans-48.9134.5169.4-107.3-37.1000110.2G12 K16G12-N14 PolarHBondContact O-N 2.84Å; N14-K16 PolarHBondContact O-N 2.73Å
15S32.6Very low35.3Very low112 Ų112148.5 Ų148.578%0.78381%0.808SS**SBendtrans-51.8102.2161.3-1800000109.6L13L13-S15 PolarHBondContact O-N 3.47Å
16K32.7Very low35.6Very low192 Ų192146.7 Ų146.784%0.83580%0.802SS**  trans177135.5155.3-94.2152.8-169.6-171.60107.1N14N14-K16 PolarHBondContact O-N 2.73Å
17E33.9Very low36.3Very low190 Ų190147.3 Ų147.389%0.88880%0.802SS**  trans90.286.6176.3-51.3-176.6150.400117
18V37.8Very low36.6Very low121 Ų121153.9 Ų153.973%0.73381%0.811SS**  -150.472.4117.6-170.10000108.1
19T34.6Very low37.3Very low130 Ų130156.3 Ų156.380%0.79881%0.81SS**  trans-99.176.8151.4-51.60000106.1C21T19-C21 VanDerWaalsContact C-N 3.31Å; T19-C21 PolarHBondContact O-N 3.28Å
20T39.1Very low37.9Very low117 Ų117158.6 Ų158.672%0.71881%0.811SS**  trans-71.797.5165.3-530000106.7C22T20-C22 PolarHBondContact O-N 3.35Å
21C37.6Very low38.2Very low89 Ų89154.3 Ų154.360%0.60180%0.801SS**  trans-53.2118.7169.7-71.80000109.4T19 L23T19-C21 VanDerWaalsContact C-N 3.31Å; T19-C21 PolarHBondContact O-N 3.28Å; C21-L23 HydrophobicContact CB-CG 4.17Å; C21-L23 PolarHBondContact O-N 3Å
22C42.8Very low39.3Very low103 Ų103149 Ų14970%0.69680%0.795SS**  trans-6780.4159.8-64.90000108.6T20 G24T20-C22 PolarHBondContact O-N 3.35Å; C22-G24 VanDerWaalsContact C-N 3.28Å; C22-G24 PolarHBondContact O-N 2.99Å
23L36.5Very low40.9Very low172 Ų172149.6 Ų149.690%0.90179%0.792SS**  trans-88.677.7160.3-68.8176.5000107.3C21C21-L23 HydrophobicContact CB-CG 4.17Å; C21-L23 PolarHBondContact O-N 3Å
24G39.5Very low42.9Very low57 Ų57152.3 Ų152.359%0.58879%0.79SS**  trans-144.3106.8173.400000107.6C22 E26C22-G24 VanDerWaalsContact C-N 3.28Å; C22-G24 PolarHBondContact O-N 2.99Å; G24-E26 PolarHBondContact O-N 3.48Å
25I43.3Very low45.5Very low174 Ų174150.9 Ų150.989%0.89278%0.777SS**SBendtrans-58.3127.6171-60.4169.9000106.2
26E42.1Very low48.4Very low173 Ų173147.8 Ų147.881%0.80876%0.755SS**SBendtrans93.2119.9-176.9-55.2-171.3147.200117.7G24G24-E26 PolarHBondContact O-N 3.48Å
27K43.9Very low51.3Low188 Ų188141 Ų14182%0.81773%0.731SS**  trans90.698.5172.8-55.9-177.1-177.7176.80116K29K27-K29 PolarHBondContact O-N 2.84Å
28R42.9Very low54.2Low260 Ų260134 Ų13498%0.98171%0.706SS**  trans-54.382.6156.9-78.5179.9173.7-173.4-2110.3
29K47.3Very low56.9Low184 Ų184133.5 Ų133.580%0.870%0.695SS**  trans-96109.9153.5-78.5-172.5176.9-177.40106.5K27 C31K27-K29 PolarHBondContact O-N 2.84Å; K29-C31 PolarHBondContact O-N 3.06Å; K29-C31 VanDerWaalsContact O-N 3.08Å
30R44Very low59.8Low235 Ų235129.4 Ų129.489%0.88767%0.668SS**  trans-54.9113177.1-161177.3-73.2-177.4-3.1107.2V32R30-V32 PolarHBondContact O-N 2.98Å
31C44.1Very low62.5Low101 Ų101123.8 Ų123.868%0.68263%0.634SS**  trans-65.2101.6171.2-70.40000106.8K29 A33K29-C31 PolarHBondContact O-N 3.06Å; K29-C31 VanDerWaalsContact O-N 3.08Å; C31-A33 PolarHBondContact O-N 3.26Å
32V55.5Low65.2Low126 Ų126123.9 Ų123.976%0.76463%0.625SS**  trans-69.2115.2168.7-178.70000105.3R30 R34R30-V32 PolarHBondContact O-N 2.98Å; V32-R34 PolarHBondContact O-N 3.41Å
33A62.2Low67.5Low87 Ų87120 Ų12072%0.71960%0.599SS**PPolyproline II helixtrans-52.5124173.800000108.3C31 K35C31-A33 PolarHBondContact O-N 3.26Å; A33-K35 PolarHBondContact O-N 3.01Å
34R76.6Confident70Confident236 Ų236116.2 Ų116.289%0.89159%0.592SS**PPolyproline II helixtrans-68.7120.4176-71.2-174.6175.9-173.8-0.8107.4V32V32-R34 PolarHBondContact O-N 3.41Å
35K86.1Confident72.5Confident122 Ų122116.3 Ų116.353%0.5358%0.584SS.*PPolyproline II helixtrans-60.2137.5172.7-68.4-175.5177.7-172.50109.3A33 E39 L40 T43A33-K35 PolarHBondContact O-N 3.01Å; K35-E39 HydrophobicContact CB-CB 4.07Å; K35-E39 HydrophobicContact CG-CB 4.49Å; K35-L40 HydrophobicContact CB-CD2 3.83Å; K35-L40 HydrophobicContact CB-CG 3.93Å; K35-L40 HydrophobicContact CD-CD2 4.05Å; K35-T43 HydrophobicContact CD-CG2 4.5Å
36S93.6Very high74.9Confident47 Ų47108 Ų10833%0.32954%0.541SS..PPolyproline II helixtrans-64.9158.3170.163.10000111.1A38 E39 L40S36-A38 PolarHBondContact O-N 2.03Å; S36-E39 WeakPolarHBondContact CB-OE2 3.41Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 VanDerWaalsContact OG-CG 3.25Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.34Å; S36-E39 PolarHBondContact OG-OE2 2.91Å; S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 2.92Å
37P93.2Very high77.3Confident49 Ų49102.4 Ų102.432%0.31852%0.515SS..Hα-helixtrans-50.2-41.7173.2-31.938.8000113.5L40 C41 L76P37-L40 WeakPolarHBondContact O-CB 3.48Å; P37-L40 PolarHBondContact O-N 2.89Å; P37-C41 PolarHBondContact O-N 3.23Å; P37-C41 VanDerWaalsContact O-N 3.15Å; P37-C41 PolarHBondContact O-SG 2.89Å; P37-L76 HydrophobicContact CB-CD2 3.81Å
38A95.1Very high79.6Confident44 Ų4497.3 Ų97.336%0.36450%0.503SS..Hα-helixtrans-62.1-4617700000112.4S36 L40 C41 Q42 L76S36-A38 PolarHBondContact O-N 2.03Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.72Å; A38-C41 PolarHBondContact O-N 2.86Å; A38-Q42 WeakPolarHBondContact O-CG 3.11Å; A38-Q42 PolarHBondContact O-N 2.84Å; A38-L76 HydrophobicContact CB-CD1 3.76Å; A38-L76 HydrophobicContact CB-CG 4.23Å
39E95.1Very high82Confident109 Ų10986.6 Ų86.651%0.50947%0.468SS..Hα-helixtrans-66.3-29.5178.1-71.4167.1123.700112.6K35 S36 Q42 T43K35-E39 HydrophobicContact CB-CB 4.07Å; K35-E39 HydrophobicContact CG-CB 4.49Å; S36-E39 WeakPolarHBondContact CB-OE2 3.41Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 VanDerWaalsContact OG-CG 3.25Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.34Å; S36-E39 PolarHBondContact OG-OE2 2.91Å; E39-Q42 PolarHBondContact O-N 3.47Å; E39-T43 WeakPolarHBondContact O-CG2 3.32Å
40L95.1Very high84.4Confident44 Ų4477.9 Ų77.923%0.2343%0.43CS..Hα-helixtrans-67-44.7174.6-70.7172.6000111.2K35 S36 P37 A38 Q42 T43 Q56 H57K35-L40 HydrophobicContact CB-CD2 3.83Å; K35-L40 HydrophobicContact CB-CG 3.93Å; K35-L40 HydrophobicContact CD-CD2 4.05Å; S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 2.92Å; P37-L40 WeakPolarHBondContact O-CB 3.48Å; P37-L40 PolarHBondContact O-N 2.89Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.72Å; L40-Q42 PolarHBondContact O-N 3.47Å; L40-T43 WeakPolarHBondContact O-CG2 3.45Å; L40-T43 PolarHBondContact O-N 2.81Å; L40-T43 PolarHBondContact O-OG1 3.12Å; L40-T43 VanDerWaalsContact O-OG1 3.08Å; L40-Q56 HydrophobicContact CB-CB 4.17Å; L40-H57 HydrophobicContact CD1-CB 4.49Å
41C96.3Very high86.8Confident0 Ų066.7 Ų66.70%039%0.388CS..Hα-helixtrans-64.3-23.2176.3-49.60000112.9P37 A38 A46 Q47 C60 C74P37-C41 PolarHBondContact O-N 3.23Å; P37-C41 VanDerWaalsContact O-N 3.15Å; P37-C41 PolarHBondContact O-SG 2.89Å; A38-C41 PolarHBondContact O-N 2.86Å; C41-A46 WeakPolarHBondContact O-CB 3.33Å; C41-Q47 PolarHBondContact O-NE2 3.46Å; C41-C60 WeakPolarHBondContact CA-SG 3.28Å; C41-C60 HydrophobicContact CB-CB 4.05Å; C41-C60 WeakPolarHBondContact CB-SG 3.47Å; C41-C60 WeakPolarHBondContact SG-CA 3.02Å; C41-C60 WeakPolarHBondContact SG-CB 3.33Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.99Å; C41-C74 PolarHBondContact O-SG 2.73Å; C41-C74 VanDerWaalsContact O-SG 3.36Å
42Q93.3Very high89.3Confident90 Ų9065 Ų6542%0.42137%0.37SS..THydrogen-bonded Turntrans-92.93.8180-63.2-58-23.700114.5A38 E39 L40 S72 C74A38-Q42 WeakPolarHBondContact O-CG 3.11Å; A38-Q42 PolarHBondContact O-N 2.84Å; E39-Q42 PolarHBondContact O-N 3.47Å; L40-Q42 PolarHBondContact O-N 3.47Å; Q42-S72 PolarHBondContact NE2-OG 2.71Å; Q42-S72 PolarHBondContact OE1-OG 3.3Å; Q42-C74 PolarHBondContact NE2-O 2.73Å
43T92.3Very high91.3Very high23 Ų2359 Ų5914%0.14133%0.334CS..SBendtrans-67.6151.4177.463.50000111.7K35 E39 L40 S45 A46 Q47K35-T43 HydrophobicContact CD-CG2 4.5Å; E39-T43 WeakPolarHBondContact O-CG2 3.32Å; L40-T43 WeakPolarHBondContact O-CG2 3.45Å; L40-T43 PolarHBondContact O-N 2.81Å; L40-T43 PolarHBondContact O-OG1 3.12Å; L40-T43 VanDerWaalsContact O-OG1 3.08Å; T43-S45 PolarHBondContact O-N 2.77Å; T43-S45 VanDerWaalsContact O-N 3.13Å; T43-A46 WeakPolarHBondContact O-CA 3.5Å; T43-A46 WeakPolarHBondContact O-CB 3.32Å; T43-A46 PolarHBondContact O-N 3.5Å; T43-A46 WeakPolarHBondContact OG1-CB 3.33Å; T43-A46 PolarHBondContact OG1-N 2.93Å; T43-Q47 WeakPolarHBondContact O-CG 3.47Å; T43-Q47 PolarHBondContact O-N 2.94Å; T43-Q47 VanDerWaalsContact O-N 3.1Å
44A89.5Confident92.9Very high92 Ų9254.9 Ų54.976%0.7630%0.3SS*.THydrogen-bonded Turntrans-55.2-34.2176.600000112.8Q47 S48A44-Q47 PolarHBondContact O-N 3Å; A44-S48 PolarHBondContact O-N 3.05Å
45S92.1Very high93.8Very high59 Ų5946.8 Ų46.841%0.41327%0.271SS..THydrogen-bonded Turntrans-66.3-40.5173.3-170.50000111.9T43 Q47 S48 Q52T43-S45 PolarHBondContact O-N 2.77Å; T43-S45 VanDerWaalsContact O-N 3.13Å; S45-Q47 VanDerWaalsContact C-N 3.29Å; S45-Q47 PolarHBondContact O-N 2.83Å; S45-S48 PolarHBondContact O-N 3.35Å; S45-S48 PolarHBondContact O-OG 2.83Å; S45-Q52 WeakPolarHBondContact O-CB 3.35Å
46A93.7Very high94.2Very high0 Ų043.4 Ų43.40%026%0.257CS..G310 helixtrans-61.7-39.6177.400000112.1C41 T43 S48 C53 Q56C41-A46 WeakPolarHBondContact O-CB 3.33Å; T43-A46 WeakPolarHBondContact O-CA 3.5Å; T43-A46 WeakPolarHBondContact O-CB 3.32Å; T43-A46 PolarHBondContact O-N 3.5Å; T43-A46 WeakPolarHBondContact OG1-CB 3.33Å; T43-A46 PolarHBondContact OG1-N 2.93Å; A46-S48 VanDerWaalsContact C-N 3.27Å; A46-S48 PolarHBondContact O-N 3.28Å; A46-C53 WeakPolarHBondContact O-CB 3.36Å; A46-C53 PolarHBondContact O-N 2.89Å; A46-Q56 HydrophobicContact CB-CG 3.52Å
47Q91.6Very high94.2Very high54 Ų5443.4 Ų43.425%0.25225%0.252SS..G310 helixtrans-77.1-10.2-176.1-61.2-57.7-37.800113.6C41 T43 A44 S45 S72 C74C41-Q47 PolarHBondContact O-NE2 3.46Å; T43-Q47 WeakPolarHBondContact O-CG 3.47Å; T43-Q47 PolarHBondContact O-N 2.94Å; T43-Q47 VanDerWaalsContact O-N 3.1Å; A44-Q47 PolarHBondContact O-N 3Å; S45-Q47 VanDerWaalsContact C-N 3.29Å; S45-Q47 PolarHBondContact O-N 2.83Å; Q47-S72 PolarHBondContact NE2-OG 2.67Å; Q47-S72 PolarHBondContact OE1-OG 2.79Å; Q47-S72 VanDerWaalsContact OE1-OG 3.05Å; Q47-C74 PolarHBondContact NE2-O 2.85Å
48S91.3Very high94.3Very high82 Ų8241.7 Ų41.757%0.57324%0.241SC*.G310 helixtrans-74.2-30.2-17566.90000113.7A44 S45 A46 Q52A44-S48 PolarHBondContact O-N 3.05Å; S45-S48 PolarHBondContact O-N 3.35Å; S45-S48 PolarHBondContact O-OG 2.83Å; A46-S48 VanDerWaalsContact C-N 3.27Å; A46-S48 PolarHBondContact O-N 3.28Å; S48-Q52 WeakPolarHBondContact OG-CG 3.3Å
49S95Very high94.4Very high34 Ų3443.6 Ų43.624%0.23825%0.245CC..  trans-164.6162.5177.394.40000111.4G51 Q52 C53 E234S49-G51 VanDerWaalsContact C-N 3.32Å; S49-G51 PolarHBondContact O-N 2.96Å; S49-G51 PolarHBondContact OG-N 2.94Å; S49-Q52 PolarHBondContact O-N 3.18Å; S49-Q52 PolarHBondContact OG-N 3.25Å; S49-C53 PolarHBondContact O-N 3.43Å; S49-E234 WeakPolarHBondContact CB-OE1 3.29Å; S49-E234 PolarHBondContact OG-OE1 2.86Å
50C96.7Very high94.5Very high1 Ų138.4 Ų38.41%0.00722%0.221CC..Hα-helixtrans-57.4-44.6176-172.80000112.1Q52 C53 I54 W62 E90 C231 E234 C254C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.91Å; C50-C53 VanDerWaalsContact O-CB 3.26Å; C50-C53 WeakPolarHBondContact O-CB 3.37Å; C50-C53 PolarHBondContact O-N 2.79Å; C50-C53 VanDerWaalsContact O-N 3.16Å; C50-I54 PolarHBondContact O-N 3.04Å; C50-I54 VanDerWaalsContact O-N 3.12Å; C50-W62 HydrophobicContact CB-CB 4.03Å; C50-W62 HydrophobicContact CB-CD2 3.85Å; C50-W62 HydrophobicContact CB-CE3 4.49Å; C50-W62 HydrophobicContact CB-CG 3.59Å; C50-W62 WeakPolarHBondContact SG-CB 3.44Å; C50-W62 VanDerWaalsContact SG-CG 3.54Å; C50-E90 VanDerWaalsContact SG-CB 3.54Å; C50-C231 HydrophobicContact CB-CB 3.76Å; C50-C231 WeakPolarHBondContact CB-SG 3.46Å; C50-C231 WeakPolarHBondContact SG-CB 3.47Å; C50-C231 CovalentContact SG-SG 2.02Å; C50-C231 PolarHBondContact SG-SG 3.08Å; C50-E234 HydrophobicContact CB-CG 4.07Å; C50-E234 PolarHBondContact N-OE1 3.24Å; C50-C254 HydrophobicContact CB-CB 4.11Å
51G95.6Very high94.6Very high1 Ų136.3 Ų36.31%0.0121%0.21CC..Hα-helixtrans-65-32.6178.600000113.4S49 K55 E234S49-G51 VanDerWaalsContact C-N 3.32Å; S49-G51 PolarHBondContact O-N 2.96Å; S49-G51 PolarHBondContact OG-N 2.94Å; G51-K55 VanDerWaalsContact O-CD 3.31Å; G51-K55 WeakPolarHBondContact O-CD 3.47Å; G51-K55 WeakPolarHBondContact O-CG 3.35Å; G51-E234 WeakPolarHBondContact CA-OE2 3.32Å; G51-E234 PolarHBondContact N-OE1 2.8Å; G51-E234 PolarHBondContact N-OE2 3.12Å
52Q95.7Very high94.7Very high66 Ų6636.6 Ų36.631%0.30821%0.211SC..Hα-helixtrans-75.2-32.8173.8-65.3-61.1-26.300112.4S45 S48 S49 C50 K55 Q56S45-Q52 WeakPolarHBondContact O-CB 3.35Å; S48-Q52 WeakPolarHBondContact OG-CG 3.3Å; S49-Q52 PolarHBondContact O-N 3.18Å; S49-Q52 PolarHBondContact OG-N 3.25Å; C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.91Å; Q52-K55 PolarHBondContact O-N 2.86Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-NE2 2.78Å
53C97.2Very high94.9Very high0 Ų032.3 Ų32.30%019%0.191CC..Hα-helixtrans-59-56.1173.9174.90000111.9A46 S49 C50 K55 Q56 C60 A61 W62 C74A46-C53 WeakPolarHBondContact O-CB 3.36Å; A46-C53 PolarHBondContact O-N 2.89Å; S49-C53 PolarHBondContact O-N 3.43Å; C50-C53 VanDerWaalsContact O-CB 3.26Å; C50-C53 WeakPolarHBondContact O-CB 3.37Å; C50-C53 PolarHBondContact O-N 2.79Å; C50-C53 VanDerWaalsContact O-N 3.16Å; C53-K55 PolarHBondContact O-N 2.8Å; C53-K55 VanDerWaalsContact O-N 3.13Å; C53-Q56 WeakPolarHBondContact O-CB 3.47Å; C53-Q56 PolarHBondContact O-N 2.75Å; C53-C60 WeakPolarHBondContact O-CB 3.42Å; C53-A61 PolarHBondContact SG-O 2.9Å; C53-A61 VanDerWaalsContact SG-O 3.32Å; C53-W62 HydrophobicContact CB-CE3 3.84Å; C53-C74 WeakPolarHBondContact CA-SG 3.46Å; C53-C74 HydrophobicContact CB-CB 3.57Å; C53-C74 WeakPolarHBondContact CB-SG 3.4Å; C53-C74 WeakPolarHBondContact SG-CB 3.47Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.8Å
54I95.7Very high95.1Very high0 Ų032 Ų320%019%0.189CC..Hα-helixtrans-68.2-15.4-175.766.5169.4000113.5C50 P92 K131 I228C50-I54 PolarHBondContact O-N 3.04Å; C50-I54 VanDerWaalsContact O-N 3.12Å; I54-P92 HydrophobicContact CD1-CG 3.79Å; I54-P92 HydrophobicContact CG2-CG 4.37Å; I54-K131 HydrophobicContact CB-CD 4.07Å; I54-I228 HydrophobicContact CD1-CG2 4.07Å
55K94.9Very high95.4Very high66 Ų6628.8 Ų28.829%0.28716%0.159SC..Hα-helixtrans-79.9-20.8174.1-77.5172.2-174.3156.60113.5G51 Q52 C53 P132 C229G51-K55 VanDerWaalsContact O-CD 3.31Å; G51-K55 WeakPolarHBondContact O-CD 3.47Å; G51-K55 WeakPolarHBondContact O-CG 3.35Å; Q52-K55 PolarHBondContact O-N 2.86Å; C53-K55 PolarHBondContact O-N 2.8Å; C53-K55 VanDerWaalsContact O-N 3.13Å; K55-P132 HydrophobicContact CG-CG 4.33Å; K55-C229 WeakPolarHBondContact CE-O 3.17Å; K55-C229 PolarHBondContact NZ-O 3.18Å
56Q94.7Very high95.4Very high51 Ų5127.2 Ų27.224%0.23815%0.148CC..Hα-helixtrans-72.3-41.3-177.4-58.6-51.8-51.600112L40 A46 Q52 C53L40-Q56 HydrophobicContact CB-CB 4.17Å; A46-Q56 HydrophobicContact CB-CG 3.52Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-NE2 2.78Å; C53-Q56 WeakPolarHBondContact O-CB 3.47Å; C53-Q56 PolarHBondContact O-N 2.75Å
57H95.1Very high95.2Very high46 Ų4632.2 Ų32.221%0.21317%0.174CC..  trans-159.7147.8179.9-165.4-97.3000110.8L40 D59 C60L40-H57 HydrophobicContact CD1-CB 4.49Å; H57-D59 IonicContact CE1-OD2 2.87Å; H57-D59 PolarHBondContact CE1-OD2 2.83Å; H57-D59 VanDerWaalsContact CE1-OD2 3.24Å; H57-D59 WeakPolarHBondContact ND1-CB 3.49Å; H57-D59 PolarHBondContact ND1-N 3.36Å; H57-D59 VanDerWaalsContact ND1-N 3.12Å; H57-D59 IonicContact ND1-OD2 2.73Å; H57-D59 PolarHBondContact O-N 3.34Å; H57-D59 VanDerWaalsContact O-N 3.12Å; H57-C60 VanDerWaalsContact CB-SG 3.59Å; H57-C60 WeakPolarHBondContact O-CB 3.49Å; H57-C60 PolarHBondContact O-N 3.01Å
58P95Very high95Very high14 Ų1430.5 Ų30.59%0.09117%0.17CC..THydrogen-bonded Turntrans-59.9-21.3176.6-26.635.6000115.3H91 K131 D134P58-H91 PolarHBondContact O-NE2 2.84Å; P58-H91 VanDerWaalsContact O-NE2 3.11Å; P58-K131 WeakPolarHBondContact O-CE 3.21Å; P58-K131 PolarHBondContact O-NZ 3.22Å; P58-D134 HydrophobicContact CB-CB 4.07Å; P58-D134 HydrophobicContact CG-CB 3.66Å
59D96Very high94.4Very high84 Ų8434.3 Ų34.345%0.44918%0.184SC..THydrogen-bonded Turntrans-92.6-6177.4-60.9-30.8000113.8H57 L76 Y77H57-D59 IonicContact CE1-OD2 2.87Å; H57-D59 PolarHBondContact CE1-OD2 2.83Å; H57-D59 VanDerWaalsContact CE1-OD2 3.24Å; H57-D59 WeakPolarHBondContact ND1-CB 3.49Å; H57-D59 PolarHBondContact ND1-N 3.36Å; H57-D59 VanDerWaalsContact ND1-N 3.12Å; H57-D59 IonicContact ND1-OD2 2.73Å; H57-D59 PolarHBondContact O-N 3.34Å; H57-D59 VanDerWaalsContact O-N 3.12Å; D59-L76 HydrophobicContact CB-CD2 3.71Å; D59-L76 WeakPolarHBondContact O-CA 3.38Å; D59-Y77 PolarHBondContact O-N 2.95Å
60C97.3Very high93.9Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-71.3137.5174.4-61.10000110.2C41 C53 H57 E75 H91C41-C60 WeakPolarHBondContact CA-SG 3.28Å; C41-C60 HydrophobicContact CB-CB 4.05Å; C41-C60 WeakPolarHBondContact CB-SG 3.47Å; C41-C60 WeakPolarHBondContact SG-CA 3.02Å; C41-C60 WeakPolarHBondContact SG-CB 3.33Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.99Å; C53-C60 WeakPolarHBondContact O-CB 3.42Å; H57-C60 VanDerWaalsContact CB-SG 3.59Å; H57-C60 WeakPolarHBondContact O-CB 3.49Å; H57-C60 PolarHBondContact O-N 3.01Å; C60-E75 WeakPolarHBondContact CA-O 3.45Å; C60-H91 PolarHBondContact O-CD2 3.01Å
61A97.6Very high93.1Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-132.4156177.200000109.6C53 C74 E75 Y77 L80 V89 E90 H91C53-A61 PolarHBondContact SG-O 2.9Å; C53-A61 VanDerWaalsContact SG-O 3.32Å; A61-C74 WeakPolarHBondContact O-CA 3.39Å; A61-E75 PolarHBondContact N-O 3.22Å; A61-E75 PolarHBondContact O-N 2.73Å; A61-E75 VanDerWaalsContact O-N 3.09Å; A61-Y77 HydrophobicContact CB-CD2 4.07Å; A61-L80 HydrophobicContact CB-CD2 3.83Å; A61-L80 WeakPolarHBondContact O-CD2 3.09Å; A61-V89 HydrophobicContact CB-CG1 4.12Å; A61-E90 WeakPolarHBondContact CA-O 3.38Å; A61-H91 HydrophobicContact CB-CB 3.83Å
62W98Very high92.8Very high6 Ų640.9 Ų40.92%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-120.4139.5-177.8177.7-84.9000111.6C50 C53 R73 C74 E90 C254 A256C50-W62 HydrophobicContact CB-CB 4.03Å; C50-W62 HydrophobicContact CB-CD2 3.85Å; C50-W62 HydrophobicContact CB-CE3 4.49Å; C50-W62 HydrophobicContact CB-CG 3.59Å; C50-W62 WeakPolarHBondContact SG-CB 3.44Å; C50-W62 VanDerWaalsContact SG-CG 3.54Å; C53-W62 HydrophobicContact CB-CE3 3.84Å; W62-R73 CarbonylContact C-O 3.26Å; W62-R73 VanDerWaalsContact CA-O 3.28Å; W62-R73 WeakPolarHBondContact CA-O 3.15Å; W62-R73 HydrophobicContact CD2-CB 3.9Å; W62-R73 HydrophobicContact CE3-CB 3.92Å; W62-R73 HydrophobicContact CH2-CB 3.67Å; W62-R73 HydrophobicContact CH2-CG 4.44Å; W62-R73 HydrophobicContact CZ2-CB 3.64Å; W62-R73 VanDerWaalsContact CZ2-CD 3.45Å; W62-R73 HydrophobicContact CZ2-CG 4.19Å; W62-R73 HydrophobicContact CZ3-CB 3.81Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CZ3-CB 4.1Å; W62-E90 HydrophobicContact CB-CB 4.13Å; W62-E90 PolarHBondContact N-O 2.83Å; W62-E90 PolarHBondContact O-N 2.86Å; W62-C254 PolarHBondContact NE1-O 2.84Å; W62-A256 HydrophobicContact CZ2-CB 4.2Å
63C97.6Very high92.8Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-93.8110.8174.1-174.90000110.7D65 L70 R73 L80 C84C63-D65 VanDerWaalsContact C-N 3.33Å; C63-L70 HydrophobicContact CB-CD1 3.9Å; C63-R73 PolarHBondContact N-O 2.73Å; C63-R73 PolarHBondContact O-NH1 3.28Å; C63-R73 VanDerWaalsContact O-NH1 3.16Å; C63-L80 HydrophobicContact CB-CD1 4.06Å; C63-L80 HydrophobicContact CB-CD2 4.2Å; C63-L80 HydrophobicContact CB-CG 4.41Å; C63-C84 VanDerWaalsContact CA-SG 3.57Å; C63-C84 HydrophobicContact CB-CB 3.7Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CB 3.46Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 2.96Å
64S96.6Very high92.8Very high15 Ų1540 Ų4011%0.10522%0.217CC..  trans-895.618068.60000114.3P66 F88 C254 G255S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-F88 PolarHBondContact N-O 3.06Å; S64-F88 WeakPolarHBondContact OG-CA 3.11Å; S64-F88 PolarHBondContact OG-O 3.01Å; S64-C254 WeakPolarHBondContact CA-O 3.37Å; S64-G255 WeakPolarHBondContact O-CA 3.46Å; S64-G255 PolarHBondContact O-N 2.83Å
65D95.3Very high92.8Very high26 Ų2640.9 Ų40.914%0.13922%0.221CC..  trans-68.9118176.61782.4000109.9C63 N67 A68 R73 F88C63-D65 VanDerWaalsContact C-N 3.33Å; D65-N67 PolarHBondContact O-N 3.12Å; D65-N67 PolarHBondContact OD1-N 2.88Å; D65-A68 HydrophobicContact CB-CB 3.84Å; D65-A68 PolarHBondContact O-N 3.38Å; D65-R73 PolarHBondContact O-NH1 2.92Å; D65-F88 HydrophobicContact CB-CB 3.76Å; D65-F88 HydrophobicContact CB-CD1 4.09Å; D65-F88 HydrophobicContact CB-CD2 3.91Å; D65-F88 HydrophobicContact CB-CG 3.66Å
66P92.2Very high92.9Very high26 Ų2639.4 Ų39.417%0.16922%0.216CC..THydrogen-bonded Turntrans-69.7-18179.430.5-37000113.9S64 L252S64-P66 WeakPolarHBondContact O-CD 3.14Å; P66-L252 HydrophobicContact CB-CD1 4.09Å; P66-L252 HydrophobicContact CB-CD2 4.05Å
67N90.8Very high93Very high104 Ų10441.3 Ų41.356%0.55622%0.222SC*.THydrogen-bonded Turntrans-98-6.1-179.7-58-51.3000113.1D65 D69 Q245D65-N67 PolarHBondContact O-N 3.12Å; D65-N67 PolarHBondContact OD1-N 2.88Å; N67-D69 PolarHBondContact O-N 2.8Å; N67-Q245 PolarHBondContact OD1-NE2 3.14Å
68A86.1Confident93.1Very high19 Ų1942 Ų4216%0.15723%0.231CC..  trans-62.4120.1179.500000111.4D65 L70D65-A68 HydrophobicContact CB-CB 3.84Å; D65-A68 PolarHBondContact O-N 3.38Å; A68-L70 HydrophobicContact CB-CD1 3.91Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.08Å
69D80.7Confident93.1Very high162 Ų16243.6 Ų43.687%0.86624%0.243SC*.  trans-9275170.1-168.722.8000109N67N67-D69 PolarHBondContact O-N 2.8Å
70L83.3Confident93Very high38 Ų3839.6 Ų39.620%0.19922%0.222CC..  trans-113.1137.8-177.9-64.6172.9000110C63 A68 S72 L80 K83 C84C63-L70 HydrophobicContact CB-CD1 3.9Å; A68-L70 HydrophobicContact CB-CD1 3.91Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.08Å; L70-S72 PolarHBondContact O-N 2.84Å; L70-S72 VanDerWaalsContact O-N 3.17Å; L70-L80 HydrophobicContact CD1-CD1 4.35Å; L70-K83 HydrophobicContact CD2-CB 3.91Å; L70-K83 HydrophobicContact CD2-CD 4.41Å; L70-C84 HydrophobicContact CD1-CB 4.46Å
71P79.9Confident92.9Very high129 Ų12943.2 Ų43.284%0.83824%0.239SC*.SBendtrans-62.8-23.6175.126.6-34.8000112.2
72S89.9Confident92.7Very high7 Ų751 Ų515%0.04927%0.273CS..  trans-149.3129.5-175.7178.50000109.2Q42 Q47 L70 C74Q42-S72 PolarHBondContact NE2-OG 2.71Å; Q42-S72 PolarHBondContact OE1-OG 3.3Å; Q47-S72 PolarHBondContact NE2-OG 2.67Å; Q47-S72 PolarHBondContact OE1-OG 2.79Å; Q47-S72 VanDerWaalsContact OE1-OG 3.05Å; L70-S72 PolarHBondContact O-N 2.84Å; L70-S72 VanDerWaalsContact O-N 3.17Å; S72-C74 PolarHBondContact OG-O 2.92Å
73R94.4Very high92.5Very high48 Ų4856 Ų5618%0.18130%0.295CS..SBendtrans-85.5-26176.7-70-179.4177.8-81.3-6.1111.8W62 C63 D65 G255W62-R73 CarbonylContact C-O 3.26Å; W62-R73 VanDerWaalsContact CA-O 3.28Å; W62-R73 WeakPolarHBondContact CA-O 3.15Å; W62-R73 HydrophobicContact CD2-CB 3.9Å; W62-R73 HydrophobicContact CE3-CB 3.92Å; W62-R73 HydrophobicContact CH2-CB 3.67Å; W62-R73 HydrophobicContact CH2-CG 4.44Å; W62-R73 HydrophobicContact CZ2-CB 3.64Å; W62-R73 VanDerWaalsContact CZ2-CD 3.45Å; W62-R73 HydrophobicContact CZ2-CG 4.19Å; W62-R73 HydrophobicContact CZ3-CB 3.81Å; C63-R73 PolarHBondContact N-O 2.73Å; C63-R73 PolarHBondContact O-NH1 3.28Å; C63-R73 VanDerWaalsContact O-NH1 3.16Å; D65-R73 PolarHBondContact O-NH1 2.92Å; R73-G255 PolarHBondContact NH1-O 2.87Å; R73-G255 PolarHBondContact NH2-O 2.79Å
74C97.5Very high92.4Very high0 Ų056.2 Ų56.20%030%0.296CS..EExtended strand (participates in β ladder)trans-101.3114.5176.3-177.70000111.1C41 Q42 Q47 C53 A61 W62 S72C41-C74 PolarHBondContact O-SG 2.73Å; C41-C74 VanDerWaalsContact O-SG 3.36Å; Q42-C74 PolarHBondContact NE2-O 2.73Å; Q47-C74 PolarHBondContact NE2-O 2.85Å; C53-C74 WeakPolarHBondContact CA-SG 3.46Å; C53-C74 HydrophobicContact CB-CB 3.57Å; C53-C74 WeakPolarHBondContact CB-SG 3.4Å; C53-C74 WeakPolarHBondContact SG-CB 3.47Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.8Å; A61-C74 WeakPolarHBondContact O-CA 3.39Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CZ3-CB 4.1Å; S72-C74 PolarHBondContact OG-O 2.92Å
75E96.3Very high92.4Very high17 Ų1761.2 Ų61.28%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-139-178.6173.1-52.6-160.2173.500110.7C60 A61 L80 K83C60-E75 WeakPolarHBondContact CA-O 3.45Å; A61-E75 PolarHBondContact N-O 3.22Å; A61-E75 PolarHBondContact O-N 2.73Å; A61-E75 VanDerWaalsContact O-N 3.09Å; E75-L80 HydrophobicContact CB-CB 4.38Å; E75-L80 HydrophobicContact CB-CD1 4.35Å; E75-L80 HydrophobicContact CG-CD1 4.26Å; E75-K83 IonicContact OE1-NZ 2.8Å; E75-K83 PolarHBondContact OE1-NZ 3.34Å; E75-K83 IonicContact OE2-NZ 2.73Å; E75-K83 PolarHBondContact OE2-NZ 3.25Å
76L97.3Very high92.3Very high35 Ų3565 Ų6518%0.18334%0.342CS..EExtended strand (participates in β ladder)trans-64.2138.5166.3-68.7175.3000110.1P37 A38 D59 S78 S79 L80P37-L76 HydrophobicContact CB-CD2 3.81Å; A38-L76 HydrophobicContact CB-CD1 3.76Å; A38-L76 HydrophobicContact CB-CG 4.23Å; D59-L76 HydrophobicContact CB-CD2 3.71Å; D59-L76 WeakPolarHBondContact O-CA 3.38Å; L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.77Å; L76-S79 WeakPolarHBondContact O-CB 3.42Å; L76-S79 PolarHBondContact O-N 3.44Å; L76-L80 PolarHBondContact O-N 3Å
77Y96.9Very high92.4Very high91 Ų9167.5 Ų67.536%0.35736%0.36SS..Hα-helixtrans-49-46.6178.7176-106.5000112.9D59 A61 S79 L80 E81 V89 H91D59-Y77 PolarHBondContact O-N 2.95Å; A61-Y77 HydrophobicContact CB-CD2 4.07Å; Y77-S79 PolarHBondContact O-N 3.31Å; Y77-L80 PolarHBondContact O-N 3.19Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; Y77-E81 WeakPolarHBondContact O-CB 3.46Å; Y77-E81 WeakPolarHBondContact O-CG 3.49Å; Y77-E81 PolarHBondContact O-N 3.34Å; Y77-V89 HydrophobicContact CD2-CG1 3.85Å; Y77-V89 HydrophobicContact CE2-CG1 3.85Å; Y77-H91 AromaticContact CD1-ND1 3.93Å; Y77-H91 HydrophobicContact CD2-CB 3.68Å; Y77-H91 AromaticContact CD2-CG 3.62Å; Y77-H91 AromaticContact CD2-ND1 3.32Å; Y77-H91 VanDerWaalsContact CD2-ND1 3.32Å; Y77-H91 WeakPolarHBondContact CD2-ND1 3.29Å; Y77-H91 HydrophobicContact CE2-CB 4.09Å; Y77-H91 AromaticContact CE2-ND1 3.78Å; Y77-H91 AromaticContact CG-CE1 3.7Å; Y77-H91 AromaticContact CG-CG 3.97Å; Y77-H91 AromaticContact CG-ND1 3.4Å
78S96.1Very high92.7Very high60 Ų6065.9 Ų65.942%0.4235%0.348SS..Hα-helixtrans-65.1-19-178.860.30000115.2L76 E81 K82L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.77Å; S78-E81 WeakPolarHBondContact CA-OE1 3.29Å; S78-K82 WeakPolarHBondContact O-CE 3.34Å; S78-K82 PolarHBondContact O-NZ 3.34Å
79S95Very high93.2Very high48 Ų4866.1 Ų66.134%0.33635%0.347SS..Hα-helixtrans-93.1-40.6172.5-65.30000110.9L76 Y77 K82L76-S79 WeakPolarHBondContact O-CB 3.42Å; L76-S79 PolarHBondContact O-N 3.44Å; Y77-S79 PolarHBondContact O-N 3.31Å; S79-K82 PolarHBondContact O-N 3.21Å
80L95.3Very high94Very high0 Ų060.2 Ų60.20%032%0.315CS..Hα-helixtrans-71.3-37.2-174.2-165.465.5000112.7A61 C63 L70 E75 L76 Y77 K82 K83 C84 V89A61-L80 HydrophobicContact CB-CD2 3.83Å; A61-L80 WeakPolarHBondContact O-CD2 3.09Å; C63-L80 HydrophobicContact CB-CD1 4.06Å; C63-L80 HydrophobicContact CB-CD2 4.2Å; C63-L80 HydrophobicContact CB-CG 4.41Å; L70-L80 HydrophobicContact CD1-CD1 4.35Å; E75-L80 HydrophobicContact CB-CB 4.38Å; E75-L80 HydrophobicContact CB-CD1 4.35Å; E75-L80 HydrophobicContact CG-CD1 4.26Å; L76-L80 PolarHBondContact O-N 3Å; Y77-L80 PolarHBondContact O-N 3.19Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; L80-K82 PolarHBondContact O-N 3.2Å; L80-K83 PolarHBondContact O-N 3.45Å; L80-C84 HydrophobicContact CD1-CB 4.23Å; L80-C84 HydrophobicContact CG-CB 4.09Å; L80-C84 PolarHBondContact O-N 3.21Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å
81E94.3Very high94.6Very high76 Ų7660.4 Ų60.436%0.35532%0.315SS..THydrogen-bonded Turntrans-58.4-17.6178.670.6-178.4160.900113.7Y77 S78Y77-E81 WeakPolarHBondContact O-CB 3.46Å; Y77-E81 WeakPolarHBondContact O-CG 3.49Å; Y77-E81 PolarHBondContact O-N 3.34Å; S78-E81 WeakPolarHBondContact CA-OE1 3.29Å
82K94.2Very high95.4Very high165 Ų16556 Ų5672%0.71729%0.286SS*.THydrogen-bonded Turntrans-92.6-17177.6-61.8169.1-175.51390113.3S78 S79 L80S78-K82 WeakPolarHBondContact O-CE 3.34Å; S78-K82 PolarHBondContact O-NZ 3.34Å; S79-K82 PolarHBondContact O-N 3.21Å; L80-K82 PolarHBondContact O-N 3.2Å
83K93.8Very high95.6Very high111 Ų11160.4 Ų60.448%0.48331%0.312SS..THydrogen-bonded Turntrans-112.5-30.1-172.8-63.3175.8179.6172.40112.9L70 E75 L80L70-K83 HydrophobicContact CD2-CB 3.91Å; L70-K83 HydrophobicContact CD2-CD 4.41Å; E75-K83 IonicContact OE1-NZ 2.8Å; E75-K83 PolarHBondContact OE1-NZ 3.34Å; E75-K83 IonicContact OE2-NZ 2.73Å; E75-K83 PolarHBondContact OE2-NZ 3.25Å; L80-K83 PolarHBondContact O-N 3.45Å
84C95.7Very high95.7Very high4 Ų459 Ų593%0.02731%0.309CS..SBendtrans-112.9136.4-180-1720000108.6C63 L70 L80 T86 V89C63-C84 VanDerWaalsContact CA-SG 3.57Å; C63-C84 HydrophobicContact CB-CB 3.7Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CB 3.46Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 2.96Å; L70-C84 HydrophobicContact CD1-CB 4.46Å; L80-C84 HydrophobicContact CD1-CB 4.23Å; L80-C84 HydrophobicContact CG-CB 4.09Å; L80-C84 PolarHBondContact O-N 3.21Å; C84-T86 PolarHBondContact O-N 2.95Å; C84-V89 HydrophobicContact CB-CG2 3.87Å
85E94.8Very high95.6Very high120 Ų12064.2 Ų64.256%0.56133%0.332SS*.  trans-59.4133.7174.8-178.4-169.2148.600109.7S87 F88E85-S87 WeakPolarHBondContact CG-OG 3.25Å; E85-S87 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact OE1-OG 3.44Å; E85-F88 HydrophobicContact CB-CD2 4.12Å; E85-F88 PolarHBondContact O-N 3.08Å
86T93.6Very high95.6Very high106 Ų10665.9 Ų65.965%0.6534%0.343SS*.G310 helixtrans-57.8-26.6-169.553.40000114.2C84 F88 V89C84-T86 PolarHBondContact O-N 2.95Å; T86-F88 VanDerWaalsContact C-N 3.25Å; T86-F88 PolarHBondContact O-N 2.79Å; T86-V89 PolarHBondContact O-N 2.91Å
87S95.1Very high95.7Very high78 Ų7867.7 Ų67.755%0.54535%0.351SS..G310 helixtrans-67.5-24.4176.557.80000113.2E85E85-S87 WeakPolarHBondContact CG-OG 3.25Å; E85-S87 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact OE1-OG 3.44Å
88F96.3Very high95.7Very high69 Ų6967.8 Ų67.830%0.30335%0.353SS..G310 helixtrans-102.45.7177.8-65.7-76.8000113S64 D65 E85 T86 E90S64-F88 PolarHBondContact N-O 3.06Å; S64-F88 WeakPolarHBondContact OG-CA 3.11Å; S64-F88 PolarHBondContact OG-O 3.01Å; D65-F88 HydrophobicContact CB-CB 3.76Å; D65-F88 HydrophobicContact CB-CD1 4.09Å; D65-F88 HydrophobicContact CB-CD2 3.91Å; D65-F88 HydrophobicContact CB-CG 3.66Å; E85-F88 HydrophobicContact CB-CD2 4.12Å; E85-F88 PolarHBondContact O-N 3.08Å; T86-F88 VanDerWaalsContact C-N 3.25Å; T86-F88 PolarHBondContact O-N 2.79Å; F88-E90 PolarHBondContact O-N 2.84Å
89V97.2Very high95.6Very high24 Ų2468.6 Ų68.615%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-87.2112.2177.9178.10000109.9A61 Y77 L80 C84 T86 H91A61-V89 HydrophobicContact CB-CG1 4.12Å; Y77-V89 HydrophobicContact CD2-CG1 3.85Å; Y77-V89 HydrophobicContact CE2-CG1 3.85Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å; C84-V89 HydrophobicContact CB-CG2 3.87Å; T86-V89 PolarHBondContact O-N 2.91Å; V89-H91 HydrophobicContact CG1-CB 4.32Å; V89-H91 PolarHBondContact O-N 2.81Å
90E97.5Very high95.6Very high39 Ų3971.3 Ų71.318%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-88.2100.4174.1-64.8-73.1167.900109.5C50 A61 W62 F88 C233C50-E90 VanDerWaalsContact SG-CB 3.54Å; A61-E90 WeakPolarHBondContact CA-O 3.38Å; W62-E90 HydrophobicContact CB-CB 4.13Å; W62-E90 PolarHBondContact N-O 2.83Å; W62-E90 PolarHBondContact O-N 2.86Å; F88-E90 PolarHBondContact O-N 2.84Å; E90-C233 VanDerWaalsContact CD-SG 3.58Å; E90-C233 WeakPolarHBondContact OE1-CB 3.37Å; E90-C233 PolarHBondContact OE1-SG 2.76Å
91H96.4Very high95.6Very high42 Ų4274.9 Ų74.919%0.19438%0.379CS..  trans-139.178.8176.3-176.8-136.1000110.3P58 C60 A61 Y77 V89 V93 K131P58-H91 PolarHBondContact O-NE2 2.84Å; P58-H91 VanDerWaalsContact O-NE2 3.11Å; C60-H91 PolarHBondContact O-CD2 3.01Å; A61-H91 HydrophobicContact CB-CB 3.83Å; Y77-H91 AromaticContact CD1-ND1 3.93Å; Y77-H91 HydrophobicContact CD2-CB 3.68Å; Y77-H91 AromaticContact CD2-CG 3.62Å; Y77-H91 AromaticContact CD2-ND1 3.32Å; Y77-H91 VanDerWaalsContact CD2-ND1 3.32Å; Y77-H91 WeakPolarHBondContact CD2-ND1 3.29Å; Y77-H91 HydrophobicContact CE2-CB 4.09Å; Y77-H91 AromaticContact CE2-ND1 3.78Å; Y77-H91 AromaticContact CG-CE1 3.7Å; Y77-H91 AromaticContact CG-CG 3.97Å; Y77-H91 AromaticContact CG-ND1 3.4Å; V89-H91 HydrophobicContact CG1-CB 4.32Å; V89-H91 PolarHBondContact O-N 2.81Å; H91-V93 PolarHBondContact O-N 2.84Å; H91-K131 PolarHBondContact CD2-NZ 3.17Å; H91-K131 VanDerWaalsContact CD2-NZ 3.26Å; H91-K131 PolarHBondContact NE2-NZ 3.15Å
92P95.4Very high95.6Very high36 Ų3673 Ų7323%0.23438%0.376CS..PPolyproline II helixtrans-67.1128.8178.126.4-32000109.6I54 K131 I228I54-P92 HydrophobicContact CD1-CG 3.79Å; I54-P92 HydrophobicContact CG2-CG 4.37Å; P92-K131 HydrophobicContact CG-CD 4.32Å; P92-K131 WeakPolarHBondContact O-CD 3.45Å; P92-K131 WeakPolarHBondContact O-CE 2.97Å; P92-K131 PolarHBondContact O-NZ 3.28Å; P92-I228 HydrophobicContact CB-CD1 4.41Å; P92-I228 HydrophobicContact CB-CG2 3.76Å; P92-I228 HydrophobicContact CG-CG2 3.67Å
93V94.8Very high95.6Very high100 Ų10070 Ų7061%0.60637%0.368SS*.PPolyproline II helixtrans-98.6136.8-176.3-178.90000109.7H91 K95H91-V93 PolarHBondContact O-N 2.84Å; V93-K95 PolarHBondContact O-N 2.76Å
94S95.5Very high95.6Very high17 Ų1765.9 Ų65.912%0.11935%0.353CS..PPolyproline II helixtrans-66.2133.3174.7-53.10000110.2A129 M130 K131 D134S94-A129 CarbonylContact C-O 3.38Å; S94-A129 WeakPolarHBondContact CA-O 3.37Å; S94-M130 WeakPolarHBondContact OG-CA 3.39Å; S94-K131 PolarHBondContact OG-N 2.95Å; S94-K131 VanDerWaalsContact OG-N 3.09Å; S94-D134 WeakPolarHBondContact CB-OD2 3.49Å; S94-D134 PolarHBondContact OG-OD2 3.05Å
95K96.1Very high95.5Very high110 Ų11066.7 Ų66.748%0.47836%0.362SS..EExtended strand (participates in β ladder)trans-136.3152.1-176.460.7171.1-176.1163.40112.3V93 E97 I128 A129V93-K95 PolarHBondContact O-N 2.76Å; K95-E97 WeakPolarHBondContact CD-OE1 3.47Å; K95-E97 WeakPolarHBondContact CE-OE1 3.46Å; K95-E97 IonicContact NZ-OE1 2.71Å; K95-E97 PolarHBondContact NZ-OE1 3.28Å; K95-I128 WeakPolarHBondContact O-CA 3.43Å; K95-A129 HydrophobicContact CG-CB 3.94Å; K95-A129 PolarHBondContact N-O 2.88Å; K95-A129 PolarHBondContact O-N 3.14Å
96V97.2Very high95.3Very high52 Ų5262.7 Ų62.732%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-118.6132.8173.458.80000109.9F98 V126 I128 I136V96-F98 HydrophobicContact CG2-CE1 4.23Å; V96-F98 HydrophobicContact CG2-CZ 4.13Å; V96-V126 HydrophobicContact CG2-CG1 3.73Å; V96-I128 HydrophobicContact CG2-CG1 4.17Å; V96-I136 HydrophobicContact CB-CG2 3.86Å; V96-I136 HydrophobicContact CG1-CG2 4.26Å; V96-I136 HydrophobicContact CG2-CG2 4.39Å
97E97.5Very high95.1Very high74 Ų7462 Ų6235%0.34635%0.348SS..EExtended strand (participates in β ladder)trans-129.1131.7178-68179.8-165.500109.3K95 Q127K95-E97 WeakPolarHBondContact CD-OE1 3.47Å; K95-E97 WeakPolarHBondContact CE-OE1 3.46Å; K95-E97 IonicContact NZ-OE1 2.71Å; K95-E97 PolarHBondContact NZ-OE1 3.28Å; E97-Q127 HydrophobicContact CB-CB 4.5Å; E97-Q127 PolarHBondContact N-O 3.08Å; E97-Q127 PolarHBondContact O-N 3.45Å
98F97.2Very high94.6Very high92 Ų9261.5 Ų61.540%0.40433%0.334SS..EExtended strand (participates in β ladder)trans-97.197.3178.9-56.3-76.1000109.7V96 Q100 N101 P123 V126 F138V96-F98 HydrophobicContact CG2-CE1 4.23Å; V96-F98 HydrophobicContact CG2-CZ 4.13Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-N101 HydrophobicContact CB-CB 3.94Å; F98-P123 HydrophobicContact CD1-CB 3.89Å; F98-P123 HydrophobicContact CD1-CG 3.81Å; F98-P123 HydrophobicContact CE1-CG 4.04Å; F98-V126 HydrophobicContact CD1-CG1 4.35Å; F98-V126 HydrophobicContact CD1-CG2 4.08Å; F98-V126 HydrophobicContact CE1-CG1 4.39Å; F98-V126 HydrophobicContact CE1-CG2 4.38Å; F98-F138 HydrophobicContact CE1-CB 4.04Å; F98-F138 HydrophobicContact CE1-CD2 4.46Å; F98-F138 HydrophobicContact CE1-CG 4.4Å; F98-F138 HydrophobicContact CZ-CB 4.05Å
99L95.6Very high94Very high77 Ų7765 Ų6540%0.40335%0.352SS..EExtended strand (participates in β ladder)trans-68.8-33.7-177.6-58.6-178.6000112Q125 Q127L99-Q125 HydrophobicContact CB-CB 4Å; L99-Q125 HydrophobicContact CB-CG 3.89Å; L99-Q125 HydrophobicContact CD1-CG 4.05Å; L99-Q125 HydrophobicContact CG-CG 4.46Å; L99-Q125 PolarHBondContact N-O 2.77Å; L99-Q127 HydrophobicContact CD1-CB 3.87Å; L99-Q127 HydrophobicContact CD2-CB 4.36Å; L99-Q127 HydrophobicContact CG-CB 3.98Å
100Q93.6Very high92.9Very high106 Ų10665.6 Ų65.650%0.49535%0.354SS..EExtended strand (participates in β ladder)trans-140.3120.8172.4-63.2-177.439.900109.5F98 P123 Q124 Q125F98-Q100 VanDerWaalsContact C-N 3.33Å; Q100-P123 WeakPolarHBondContact O-CB 3.13Å; Q100-Q124 VanDerWaalsContact C-OE1 3.24Å; Q100-Q124 HydrophobicContact CB-CB 4.01Å; Q100-Q124 PolarHBondContact O-N 2.61Å; Q100-Q124 PolarHBondContact O-OE1 3.26Å; Q100-Q125 HydrophobicContact CB-CB 3.77Å; Q100-Q125 HydrophobicContact CG-CB 4.01Å; Q100-Q125 PolarHBondContact N-O 3.11Å; Q100-Q125 PolarHBondContact O-N 2.96Å; Q100-Q125 VanDerWaalsContact O-N 3.08Å
101N95.2Very high91.9Very high74 Ų7469 Ų6940%0.39638%0.379SS..  trans-143.951.1-172.3-167.922.4000112.4F98 Q122 P123F98-N101 HydrophobicContact CB-CB 3.94Å; N101-Q122 WeakPolarHBondContact OD1-CG 3.35Å; N101-Q122 PolarHBondContact OD1-NE2 2.7Å; N101-P123 HydrophobicContact CB-CB 4.25Å
102A94Very high91Very high36 Ų3677.6 Ų77.630%0.29841%0.412SS..PPolyproline II helixtrans-63.4135.7171.300000110T119 Q122 Q124A102-T119 HydrophobicContact CB-CG2 4.38Å; A102-Q122 WeakPolarHBondContact O-CG 3.37Å; A102-Q124 PolarHBondContact O-NE2 3.24Å
103D95.4Very high90.5Very high103 Ų10379.8 Ų79.855%0.55143%0.428SS*.PPolyproline II helixtrans-61.3146.7177.9-71.5-40.3000111.9G105 A106 T119 Q122D103-G105 PolarHBondContact O-N 3.08Å; D103-A106 WeakPolarHBondContact O-CB 3.14Å; D103-A106 PolarHBondContact O-N 2.8Å; D103-T119 WeakPolarHBondContact O-CB 3.49Å; D103-Q122 PolarHBondContact OD1-NE2 3.24Å
104V94Very high90Very high25 Ų2576.7 Ų76.715%0.15242%0.417CS..THydrogen-bonded Turntrans-54.8132.9170.7-690000110.8A106 Q122 R141 L143 V190V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 2.66Å; V104-Q122 HydrophobicContact CG1-CB 3.7Å; V104-R141 HydrophobicContact CG1-CB 3.88Å; V104-R141 WeakPolarHBondContact CG1-O 3.36Å; V104-L143 HydrophobicContact CB-CB 3.99Å; V104-L143 HydrophobicContact CG1-CB 4.41Å; V104-V190 HydrophobicContact CG2-CG1 4.29Å; V104-V190 HydrophobicContact CG2-CG2 4.37Å
105G92.2Very high89.5Confident21 Ų2178.1 Ų78.122%0.21643%0.429CS..THydrogen-bonded Turntrans84.4-9.3-177.100000115.5D103 T119D103-G105 PolarHBondContact O-N 3.08Å; G105-T119 PolarHBondContact N-O 2.8Å
106A92.4Very high89Confident36 Ų3679.2 Ų79.230%0.29844%0.439SS..  trans-62.6145.5173.200000111.3D103 V104 R118 T119D103-A106 WeakPolarHBondContact O-CB 3.14Å; D103-A106 PolarHBondContact O-N 2.8Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 2.66Å; A106-R118 WeakPolarHBondContact O-CA 3.46Å; A106-T119 PolarHBondContact O-N 2.54Å; A106-T119 PolarHBondContact O-OG1 2.91Å
107S88.9Confident88.5Confident90 Ų9079 Ų7963%0.62944%0.437SS*.EExtended strand (participates in β ladder)trans-80.3122.4171.9-69.80000109.8
108R84.7Confident88.1Confident68 Ų6882.8 Ų82.826%0.25745%0.449SS..EExtended strand (participates in β ladder)trans-124151.6173.669.3179-176.585.6-4.4110.4I116 V117 T119 E219R108-I116 WeakPolarHBondContact O-CA 3.19Å; R108-V117 HydrophobicContact CG-CG2 3.59Å; R108-V117 PolarHBondContact N-O 2.8Å; R108-V117 PolarHBondContact O-N 2.83Å; R108-V117 VanDerWaalsContact O-O 3.11Å; R108-T119 WeakPolarHBondContact CD-OG1 3.19Å; R108-E219 IonicContact CZ-OE1 3.68Å; R108-E219 VanDerWaalsContact CZ-OE1 3.25Å; R108-E219 IonicContact NE-OE1 3.29Å; R108-E219 PolarHBondContact NE-OE1 3.41Å; R108-E219 IonicContact NH2-OE1 3.57Å; R108-E219 PolarHBondContact NH2-OE1 2.02Å
109Q82.4Confident87.9Confident143 Ų14378.4 Ų78.467%0.66843%0.429SS*.EExtended strand (participates in β ladder)trans-81.1126.8171.7-162.4168.817.400108.9P111 G114Q109-P111 WeakPolarHBondContact O-CD 3.35Å; Q109-G114 WeakPolarHBondContact CG-O 3.4Å; Q109-G114 PolarHBondContact NE2-O 3.23Å
110D75.4Confident87.8Confident36 Ų3676.6 Ų76.619%0.19342%0.419CS..  trans-68.5123.1174.4179.4-108.9000109.8Y112 S113 G114 A115 V117D110-Y112 PolarHBondContact O-N 3.45Å; D110-Y112 VanDerWaalsContact O-N 3.12Å; D110-Y112 PolarHBondContact OD1-N 2.89Å; D110-S113 WeakPolarHBondContact CB-OG 3.33Å; D110-S113 WeakPolarHBondContact OD1-CB 3.49Å; D110-S113 PolarHBondContact OD1-N 2.78Å; D110-S113 PolarHBondContact OD1-OG 2.86Å; D110-G114 VanDerWaalsContact O-CA 3.29Å; D110-G114 WeakPolarHBondContact O-CA 3.47Å; D110-G114 PolarHBondContact O-N 2.82Å; D110-A115 WeakPolarHBondContact CB-O 3.43Å; D110-A115 PolarHBondContact N-O 3.28Å; D110-V117 HydrophobicContact CB-CG1 3.97Å; D110-V117 HydrophobicContact CB-CG2 4.06Å
111P76.6Confident87.8Confident110 Ų11071.6 Ų71.671%0.71440%0.395SS*.THydrogen-bonded Turntrans-61.1-24.2-174.4-24.633.5000114.7Q109Q109-P111 WeakPolarHBondContact O-CD 3.35Å
112Y77.2Confident87.8Confident223 Ų22368.8 Ų68.888%0.87538%0.38SS*.THydrogen-bonded Turntrans-95.7-46-175.2-68.4-82.4000112.6D110D110-Y112 PolarHBondContact O-N 3.45Å; D110-Y112 VanDerWaalsContact O-N 3.12Å; D110-Y112 PolarHBondContact OD1-N 2.89Å
113S84.6Confident88Confident82 Ų8267.2 Ų67.257%0.57337%0.367SS*.THydrogen-bonded Turntrans-94.6-16.1-176.362.40000113.7D110 A115D110-S113 WeakPolarHBondContact CB-OG 3.33Å; D110-S113 WeakPolarHBondContact OD1-CB 3.49Å; D110-S113 PolarHBondContact OD1-N 2.78Å; D110-S113 PolarHBondContact OD1-OG 2.86Å; S113-A115 PolarHBondContact O-N 3.23Å; S113-A115 VanDerWaalsContact O-N 3.14Å; S113-A115 WeakPolarHBondContact OG-CB 3.33Å; S113-A115 PolarHBondContact OG-N 3.17Å
114G83.5Confident87.9Confident36 Ų3663.3 Ų63.337%0.37135%0.345SS..  trans68.70.3-171.600000114.1Q109 D110Q109-G114 WeakPolarHBondContact CG-O 3.4Å; Q109-G114 PolarHBondContact NE2-O 3.23Å; D110-G114 VanDerWaalsContact O-CA 3.29Å; D110-G114 WeakPolarHBondContact O-CA 3.47Å; D110-G114 PolarHBondContact O-N 2.82Å
115A86.3Confident88Confident46 Ų4663.9 Ų63.938%0.3835%0.346SS..  trans-70.714718000000110.9D110 S113 V117D110-A115 WeakPolarHBondContact CB-O 3.43Å; D110-A115 PolarHBondContact N-O 3.28Å; S113-A115 PolarHBondContact O-N 3.23Å; S113-A115 VanDerWaalsContact O-N 3.14Å; S113-A115 WeakPolarHBondContact OG-CB 3.33Å; S113-A115 PolarHBondContact OG-N 3.17Å; A115-V117 PolarHBondContact O-N 3.17Å
116I85.9Confident88.3Confident134 Ų13462.9 Ų62.969%0.68734%0.336SS*.EExtended strand (participates in β ladder)trans-75.8112170.8-59.3175.8000107.7R108R108-I116 WeakPolarHBondContact O-CA 3.19Å
117V85.2Confident88.5Confident46 Ų4664.1 Ų64.128%0.27934%0.335SS..EExtended strand (participates in β ladder)trans-109152.2175.8-62.30000109.9R108 D110 A115R108-V117 HydrophobicContact CG-CG2 3.59Å; R108-V117 PolarHBondContact N-O 2.8Å; R108-V117 PolarHBondContact O-N 2.83Å; R108-V117 VanDerWaalsContact O-O 3.11Å; D110-V117 HydrophobicContact CB-CG1 3.97Å; D110-V117 HydrophobicContact CB-CG2 4.06Å; A115-V117 PolarHBondContact O-N 3.17Å
118R90.1Very high88.9Confident155 Ų15559.8 Ų59.859%0.58531%0.305SS*.EExtended strand (participates in β ladder)trans-90.8126173.2-74.6-177.3173-117.60.9109.2A106 Q120 Q145A106-R118 WeakPolarHBondContact O-CA 3.46Å; R118-Q120 PolarHBondContact O-N 3.46Å; R118-Q145 PolarHBondContact O-NE2 3Å
119T92.6Very high89.4Confident0 Ų057.4 Ų57.40%030%0.3CS..  trans-56.5117.8174.4-55.90000110.1A102 D103 G105 A106 R108 L121 Q124A102-T119 HydrophobicContact CB-CG2 4.38Å; D103-T119 WeakPolarHBondContact O-CB 3.49Å; G105-T119 PolarHBondContact N-O 2.8Å; A106-T119 PolarHBondContact O-N 2.54Å; A106-T119 PolarHBondContact O-OG1 2.91Å; R108-T119 WeakPolarHBondContact CD-OG1 3.19Å; T119-L121 WeakPolarHBondContact CG2-O 3.46Å; T119-Q124 VanDerWaalsContact CG2-NE2 3.3Å
120Q93.3Very high90Very high39 Ų3950.6 Ų50.618%0.18227%0.268CS..  trans-94.2-32.7174.5-69.2-176.32100111.2R118 Y142 L143 Q145 E219R118-Q120 PolarHBondContact O-N 3.46Å; Q120-Y142 HydrophobicContact CB-CD2 4.31Å; Q120-Y142 HydrophobicContact CB-CE2 4.07Å; Q120-Y142 CarbonylContact O-C 3.43Å; Q120-Y142 VanDerWaalsContact O-CA 3.28Å; Q120-Y142 WeakPolarHBondContact O-CA 3.39Å; Q120-L143 PolarHBondContact O-N 3Å; Q120-Q145 VanDerWaalsContact CG-CD 3.42Å; Q120-Q145 HydrophobicContact CG-CG 4.05Å; Q120-E219 WeakPolarHBondContact CA-OE2 3.08Å; Q120-E219 WeakPolarHBondContact CB-OE2 3.5Å; Q120-E219 PolarHBondContact N-OE2 3.29Å
121L94.7Very high90.9Very high0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-116.4137.1-178.7-73.1172.1000113.1T119 Q124 L140 R141 Y142 I214 E219 V221T119-L121 WeakPolarHBondContact CG2-O 3.46Å; L121-Q124 PolarHBondContact O-NE2 2.68Å; L121-L140 HydrophobicContact CD2-CD2 3.7Å; L121-L140 HydrophobicContact CD2-CG 4.41Å; L121-R141 WeakPolarHBondContact CA-O 3.47Å; L121-Y142 HydrophobicContact CD2-CD2 3.75Å; L121-Y142 HydrophobicContact CD2-CG 4.2Å; L121-Y142 HydrophobicContact CG-CD2 4.17Å; L121-I214 HydrophobicContact CD1-CG1 4.4Å; L121-I214 HydrophobicContact CD2-CG1 3.75Å; L121-E219 HydrophobicContact CB-CG 4.09Å; L121-E219 HydrophobicContact CD1-CB 4.13Å; L121-E219 HydrophobicContact CD1-CG 4.24Å; L121-E219 WeakPolarHBondContact CD1-O 3.47Å; L121-E219 PolarHBondContact N-OE2 2.64Å; L121-V221 HydrophobicContact CB-CG2 4.41Å
122Q95.4Very high91.7Very high16 Ų1644.1 Ų44.18%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-133136.7175.6177.4-177.716.700109.6N101 A102 D103 V104 L140 R141N101-Q122 WeakPolarHBondContact OD1-CG 3.35Å; N101-Q122 PolarHBondContact OD1-NE2 2.7Å; A102-Q122 WeakPolarHBondContact O-CG 3.37Å; D103-Q122 PolarHBondContact OD1-NE2 3.24Å; V104-Q122 HydrophobicContact CG1-CB 3.7Å; Q122-L140 CarbonylContact O-C 3.59Å; Q122-L140 VanDerWaalsContact O-CA 3.29Å; Q122-L140 WeakPolarHBondContact O-CA 3.47Å; Q122-R141 HydrophobicContact CB-CB 4.34Å; Q122-R141 PolarHBondContact N-O 3.3Å; Q122-R141 PolarHBondContact O-N 2.75Å
123P97Very high92.4Very high2 Ų236.5 Ų36.51%0.01322%0.217CC..  cis-67.2173.1-14.831.6-37.4000111.7F98 Q100 N101 V126 F138 V221F98-P123 HydrophobicContact CD1-CB 3.89Å; F98-P123 HydrophobicContact CD1-CG 3.81Å; F98-P123 HydrophobicContact CE1-CG 4.04Å; Q100-P123 WeakPolarHBondContact O-CB 3.13Å; N101-P123 HydrophobicContact CB-CB 4.25Å; P123-V126 HydrophobicContact CB-CG2 4.01Å; P123-V126 HydrophobicContact CG-CG2 3.27Å; P123-F138 HydrophobicContact CG-CD2 4.4Å; P123-F138 HydrophobicContact CG-CE2 4.44Å; P123-V221 HydrophobicContact CG-CG1 4.42Å; P123-V221 WeakPolarHBondContact O-CG2 3.22Å
124Q93.9Very high92.8Very high21 Ų2134.7 Ų34.710%0.09820%0.201CC..SBendtrans-99.5-29.3175.1-57.377.143.100112.1Q100 A102 T119 L121 V221 A222Q100-Q124 VanDerWaalsContact C-OE1 3.24Å; Q100-Q124 HydrophobicContact CB-CB 4.01Å; Q100-Q124 PolarHBondContact O-N 2.61Å; Q100-Q124 PolarHBondContact O-OE1 3.26Å; A102-Q124 PolarHBondContact O-NE2 3.24Å; T119-Q124 VanDerWaalsContact CG2-NE2 3.3Å; L121-Q124 PolarHBondContact O-NE2 2.68Å; Q124-V221 WeakPolarHBondContact O-CA 3.04Å; Q124-A222 PolarHBondContact O-N 3.33Å
125Q96.5Very high93.3Very high38 Ų3835.2 Ų35.218%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-142.3125.3-179.9-162.9-179-1.600110.7L99 Q100 A222 Y224L99-Q125 HydrophobicContact CB-CB 4Å; L99-Q125 HydrophobicContact CB-CG 3.89Å; L99-Q125 HydrophobicContact CD1-CG 4.05Å; L99-Q125 HydrophobicContact CG-CG 4.46Å; L99-Q125 PolarHBondContact N-O 2.77Å; Q100-Q125 HydrophobicContact CB-CB 3.77Å; Q100-Q125 HydrophobicContact CG-CB 4.01Å; Q100-Q125 PolarHBondContact N-O 3.11Å; Q100-Q125 PolarHBondContact O-N 2.96Å; Q100-Q125 VanDerWaalsContact O-N 3.08Å; Q125-A222 WeakPolarHBondContact CA-O 3.45Å; Q125-A222 HydrophobicContact CG-CB 4.42Å; Q125-Y224 HydrophobicContact CG-CD2 4.05Å; Q125-Y224 HydrophobicContact CG-CE2 3.58Å
126V97.9Very high93.8Very high0 Ų033.8 Ų33.80%019%0.188CC..EExtended strand (participates in β ladder)trans-125.8132-177.8-171.80000109.1V96 F98 P123 I128 F138 V221 A222 L223 Y224V96-V126 HydrophobicContact CG2-CG1 3.73Å; F98-V126 HydrophobicContact CD1-CG1 4.35Å; F98-V126 HydrophobicContact CD1-CG2 4.08Å; F98-V126 HydrophobicContact CE1-CG1 4.39Å; F98-V126 HydrophobicContact CE1-CG2 4.38Å; P123-V126 HydrophobicContact CB-CG2 4.01Å; P123-V126 HydrophobicContact CG-CG2 3.27Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; V126-F138 HydrophobicContact CG1-CD1 4.44Å; V126-F138 HydrophobicContact CG1-CE1 4.37Å; V126-F138 HydrophobicContact CG2-CE2 4.14Å; V126-F138 HydrophobicContact CG2-CZ 4.33Å; V126-V221 HydrophobicContact CG2-CG1 3.96Å; V126-A222 PolarHBondContact N-O 2.82Å; V126-L223 HydrophobicContact CB-CD1 3.76Å; V126-L223 HydrophobicContact CG1-CD1 3.82Å; V126-L223 WeakPolarHBondContact O-CA 3.44Å; V126-Y224 PolarHBondContact O-N 3.48Å
127Q97.5Very high94.3Very high61 Ų6130.3 Ų30.329%0.28518%0.175SC..EExtended strand (participates in β ladder)trans-114.2125.6171.8-177.2167.657.800109.2E97 L99 Y224 N226E97-Q127 HydrophobicContact CB-CB 4.5Å; E97-Q127 PolarHBondContact N-O 3.08Å; E97-Q127 PolarHBondContact O-N 3.45Å; L99-Q127 HydrophobicContact CD1-CB 3.87Å; L99-Q127 HydrophobicContact CD2-CB 4.36Å; L99-Q127 HydrophobicContact CG-CB 3.98Å; Q127-Y224 CarbonylContact C-O 3.34Å; Q127-Y224 WeakPolarHBondContact CA-O 3.4Å; Q127-N226 PolarHBondContact NE2-ND2 2.88Å
128I96.8Very high94.8Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-118.9124.4178.4-58.9-173.2000107.6K95 V96 V126 M130 I136 F138 V197 L223 Y224 V225 N226K95-I128 WeakPolarHBondContact O-CA 3.43Å; V96-I128 HydrophobicContact CG2-CG1 4.17Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; I128-M130 HydrophobicContact CG2-CB 4Å; I128-M130 HydrophobicContact CG2-CG 4.08Å; I128-M130 HydrophobicContact CG2-SD 3.87Å; I128-I136 HydrophobicContact CD1-CB 4.5Å; I128-I136 HydrophobicContact CD1-CG2 3.95Å; I128-I136 HydrophobicContact CG1-CG2 4.49Å; I128-I136 HydrophobicContact CG2-CB 4.3Å; I128-I136 HydrophobicContact CG2-CD1 3.68Å; I128-I136 HydrophobicContact CG2-CG2 4.35Å; I128-F138 HydrophobicContact CD1-CD1 4.32Å; I128-F138 HydrophobicContact CD1-CE1 4.16Å; I128-V197 HydrophobicContact CD1-CB 4.05Å; I128-V197 HydrophobicContact CD1-CG1 4.34Å; I128-V197 HydrophobicContact CD1-CG2 3.91Å; I128-L223 HydrophobicContact CD1-CD1 3.58Å; I128-L223 HydrophobicContact CG1-CD1 3.81Å; I128-Y224 PolarHBondContact N-O 2.79Å; I128-V225 CarbonylContact O-C 3.49Å; I128-N226 PolarHBondContact O-N 3.09Å
129A95.3Very high95.1Very high17 Ų1724.1 Ų24.114%0.1416%0.156CC..EExtended strand (participates in β ladder)trans-104.1122.6163.900000107.6S94 K95 N226 I228S94-A129 CarbonylContact C-O 3.38Å; S94-A129 WeakPolarHBondContact CA-O 3.37Å; K95-A129 HydrophobicContact CG-CB 3.94Å; K95-A129 PolarHBondContact N-O 2.88Å; K95-A129 PolarHBondContact O-N 3.14Å; A129-N226 VanDerWaalsContact CA-O 3.27Å; A129-N226 WeakPolarHBondContact CA-O 3.35Å; A129-I228 HydrophobicContact CB-CD1 4.09Å; A129-I228 HydrophobicContact CB-CG1 4.29Å
130M94.8Very high95.3Very high0 Ų024.1 Ų24.10%016%0.156CC..EExtended strand (participates in β ladder)trans-147.5149.1-174.466.7-173.9-51.100114.6S94 I128 D134 I136 V197 L199 V225 N226 P227 I228S94-M130 WeakPolarHBondContact OG-CA 3.39Å; I128-M130 HydrophobicContact CG2-CB 4Å; I128-M130 HydrophobicContact CG2-CG 4.08Å; I128-M130 HydrophobicContact CG2-SD 3.87Å; M130-D134 HydrophobicContact CE-CB 4.39Å; M130-D134 WeakPolarHBondContact CE-O 3.27Å; M130-I136 HydrophobicContact CB-CD1 4.37Å; M130-V197 WeakPolarHBondContact CE-O 3.37Å; M130-V197 HydrophobicContact SD-CG1 4.18Å; M130-L199 HydrophobicContact CE-CB 3.86Å; M130-L199 HydrophobicContact CG-CB 3.78Å; M130-L199 HydrophobicContact CG-CD2 4.01Å; M130-L199 HydrophobicContact CG-CG 4.5Å; M130-L199 WeakPolarHBondContact O-CD2 3.49Å; M130-L199 HydrophobicContact SD-CB 3.71Å; M130-V225 HydrophobicContact CG-CG1 4.1Å; M130-V225 HydrophobicContact SD-CG1 3.8Å; M130-N226 PolarHBondContact N-O 3.43Å; M130-P227 WeakPolarHBondContact O-CA 3.48Å; M130-I228 PolarHBondContact O-N 3.25Å
131K94Very high95.4Very high2 Ų226.6 Ų26.61%0.00916%0.164CC..  trans-80.9152.2173-73.3-173.7-68.4-159.90111.9I54 P58 H91 P92 S94 D134 I228I54-K131 HydrophobicContact CB-CD 4.07Å; P58-K131 WeakPolarHBondContact O-CE 3.21Å; P58-K131 PolarHBondContact O-NZ 3.22Å; H91-K131 PolarHBondContact CD2-NZ 3.17Å; H91-K131 VanDerWaalsContact CD2-NZ 3.26Å; H91-K131 PolarHBondContact NE2-NZ 3.15Å; P92-K131 HydrophobicContact CG-CD 4.32Å; P92-K131 WeakPolarHBondContact O-CD 3.45Å; P92-K131 WeakPolarHBondContact O-CE 2.97Å; P92-K131 PolarHBondContact O-NZ 3.28Å; S94-K131 PolarHBondContact OG-N 2.95Å; S94-K131 VanDerWaalsContact OG-N 3.09Å; K131-D134 WeakPolarHBondContact O-CB 3.14Å; K131-D134 PolarHBondContact O-N 3.12Å; K131-I228 HydrophobicContact CG-CB 4.01Å; K131-I228 HydrophobicContact CG-CG2 4.22Å
132P92.7Very high95.5Very high9 Ų926.7 Ų26.76%0.05816%0.164CC..THydrogen-bonded Turntrans-56.6140.1169.5-25.936.5000112.1K55 D134 L199 C202K55-P132 HydrophobicContact CG-CG 4.33Å; P132-D134 PolarHBondContact O-N 3.03Å; P132-L199 CarbonylContact C-O 3.52Å; P132-L199 HydrophobicContact CG-CD2 4.14Å; P132-C202 WeakPolarHBondContact CG-SG 3.36Å
133G92.1Very high95.5Very high62 Ų6227 Ų2764%0.63917%0.166SC*.THydrogen-bonded Turntrans83.5-12.7-176.900000114.7L199G133-L199 PolarHBondContact N-O 3.12Å
134D94Very high95.3Very high44 Ų4427 Ų2724%0.23517%0.166CC..  trans-83.5162.5178.8-151.6-8.6000112.4P58 S94 M130 K131 P132 K198 L199P58-D134 HydrophobicContact CB-CB 4.07Å; P58-D134 HydrophobicContact CG-CB 3.66Å; S94-D134 WeakPolarHBondContact CB-OD2 3.49Å; S94-D134 PolarHBondContact OG-OD2 3.05Å; M130-D134 HydrophobicContact CE-CB 4.39Å; M130-D134 WeakPolarHBondContact CE-O 3.27Å; K131-D134 WeakPolarHBondContact O-CB 3.14Å; K131-D134 PolarHBondContact O-N 3.12Å; P132-D134 PolarHBondContact O-N 3.03Å; D134-K198 WeakPolarHBondContact O-CA 3.47Å; D134-L199 PolarHBondContact O-N 2.84Å
135A94.3Very high95.2Very high47 Ų4728.5 Ų28.539%0.38817%0.173SC..EExtended strand (participates in β ladder)trans-133.912417900000110.8V197 K198A135-V197 CarbonylContact C-O 3.56Å; A135-V197 WeakPolarHBondContact CA-O 3.4Å; A135-K198 HydrophobicContact CB-CD 4.36Å; A135-K198 HydrophobicContact CB-CG 3.66Å
136I95.7Very high94.8Very high17 Ų1729.9 Ų29.99%0.08718%0.182CC..EExtended strand (participates in β ladder)trans-113.6134.4173.5-78.1179.4000109.1V96 I128 M130 V197V96-I136 HydrophobicContact CB-CG2 3.86Å; V96-I136 HydrophobicContact CG1-CG2 4.26Å; V96-I136 HydrophobicContact CG2-CG2 4.39Å; I128-I136 HydrophobicContact CD1-CB 4.5Å; I128-I136 HydrophobicContact CD1-CG2 3.95Å; I128-I136 HydrophobicContact CG1-CG2 4.49Å; I128-I136 HydrophobicContact CG2-CB 4.3Å; I128-I136 HydrophobicContact CG2-CD1 3.68Å; I128-I136 HydrophobicContact CG2-CG2 4.35Å; M130-I136 HydrophobicContact CB-CD1 4.37Å; I136-V197 PolarHBondContact N-O 2.73Å; I136-V197 PolarHBondContact O-N 2.82Å
137S95.8Very high94.3Very high61 Ų6140.8 Ų40.843%0.42722%0.223SC..EExtended strand (participates in β ladder)trans-117.5141.8178-550000111.7N194 V195 S196S137-N194 WeakPolarHBondContact CB-OD1 2.95Å; S137-V195 VanDerWaalsContact CA-O 3.25Å; S137-V195 WeakPolarHBondContact CA-O 3.49Å; S137-S196 PolarHBondContact OG-OG 2.74Å
138F96.7Very high94Very high9 Ų942.5 Ų42.54%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-144.2154.1172.965.9-89.4000110.9F98 P123 V126 I128 V195 V197 L223F98-F138 HydrophobicContact CE1-CB 4.04Å; F98-F138 HydrophobicContact CE1-CD2 4.46Å; F98-F138 HydrophobicContact CE1-CG 4.4Å; F98-F138 HydrophobicContact CZ-CB 4.05Å; P123-F138 HydrophobicContact CG-CD2 4.4Å; P123-F138 HydrophobicContact CG-CE2 4.44Å; V126-F138 HydrophobicContact CG1-CD1 4.44Å; V126-F138 HydrophobicContact CG1-CE1 4.37Å; V126-F138 HydrophobicContact CG2-CE2 4.14Å; V126-F138 HydrophobicContact CG2-CZ 4.33Å; I128-F138 HydrophobicContact CD1-CD1 4.32Å; I128-F138 HydrophobicContact CD1-CE1 4.16Å; F138-V195 HydrophobicContact CD1-CB 4.39Å; F138-V195 HydrophobicContact CD2-CB 4.43Å; F138-V195 HydrophobicContact CE1-CB 3.99Å; F138-V195 HydrophobicContact CE1-CG1 3.94Å; F138-V195 HydrophobicContact CE2-CB 4.03Å; F138-V195 HydrophobicContact CE2-CG1 4.49Å; F138-V195 HydrophobicContact CE2-CG2 4.1Å; F138-V195 HydrophobicContact CZ-CB 3.8Å; F138-V195 HydrophobicContact CZ-CG1 3.8Å; F138-V195 HydrophobicContact CZ-CG2 4.22Å; F138-V195 PolarHBondContact N-O 2.82Å; F138-V195 VanDerWaalsContact N-O 3.08Å; F138-V195 PolarHBondContact O-N 3.05Å; F138-V197 HydrophobicContact CE1-CG2 3.91Å; F138-L223 HydrophobicContact CE1-CD1 4.09Å; F138-L223 HydrophobicContact CZ-CD1 4.31Å
139S95.9Very high93.8Very high61 Ų6145.7 Ų45.743%0.42726%0.256SS..EExtended strand (participates in β ladder)trans-89.6121.4179-173.80000111
140L96.9Very high93.6Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-93129.9166-178.8159.5000108.9L121 Q122 I154 S192 F193 V195 V212 V221L121-L140 HydrophobicContact CD2-CD2 3.7Å; L121-L140 HydrophobicContact CD2-CG 4.41Å; Q122-L140 CarbonylContact O-C 3.59Å; Q122-L140 VanDerWaalsContact O-CA 3.29Å; Q122-L140 WeakPolarHBondContact O-CA 3.47Å; L140-I154 HydrophobicContact CD1-CD1 4.31Å; L140-I154 HydrophobicContact CD2-CD1 4.1Å; L140-S192 CarbonylContact O-C 3.52Å; L140-S192 VanDerWaalsContact O-CA 3.3Å; L140-S192 WeakPolarHBondContact O-CA 3.43Å; L140-F193 HydrophobicContact CD2-CD2 4.08Å; L140-F193 PolarHBondContact N-O 3.16Å; L140-F193 PolarHBondContact O-N 2.02Å; L140-V195 HydrophobicContact CB-CG2 3.92Å; L140-V212 HydrophobicContact CD1-CG1 3.85Å; L140-V221 HydrophobicContact CD1-CG2 3.72Å; L140-V221 HydrophobicContact CG-CG2 4.34Å
141R96.6Very high93.6Very high91 Ų9154.3 Ų54.334%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-116.2135.6178.1-59.6178.366.9-157.54.8110.1V104 L121 Q122 V190 V191V104-R141 HydrophobicContact CG1-CB 3.88Å; V104-R141 WeakPolarHBondContact CG1-O 3.36Å; L121-R141 WeakPolarHBondContact CA-O 3.47Å; Q122-R141 HydrophobicContact CB-CB 4.34Å; Q122-R141 PolarHBondContact N-O 3.3Å; Q122-R141 PolarHBondContact O-N 2.75Å; R141-V190 HydrophobicContact CB-CG1 4.39Å; R141-V191 WeakPolarHBondContact CA-O 3.2Å
142Y96.1Very high93.6Very high3 Ų354.6 Ų54.61%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-122.6126.8178.8172.7-115.2000110.8Q120 L121 H144 I152 V190 V191 I214 V217Q120-Y142 HydrophobicContact CB-CD2 4.31Å; Q120-Y142 HydrophobicContact CB-CE2 4.07Å; Q120-Y142 CarbonylContact O-C 3.43Å; Q120-Y142 VanDerWaalsContact O-CA 3.28Å; Q120-Y142 WeakPolarHBondContact O-CA 3.39Å; L121-Y142 HydrophobicContact CD2-CD2 3.75Å; L121-Y142 HydrophobicContact CD2-CG 4.2Å; L121-Y142 HydrophobicContact CG-CD2 4.17Å; Y142-H144 HydrophobicContact CE1-CB 3.86Å; Y142-H144 AromaticContact CE1-ND1 3.82Å; Y142-H144 AromaticContact CZ-ND1 3.87Å; Y142-H144 PolarHBondContact OH-ND1 3.08Å; Y142-H144 VanDerWaalsContact OH-ND1 3.1Å; Y142-I152 HydrophobicContact CD1-CG1 4.46Å; Y142-I152 HydrophobicContact CD1-CG2 4.04Å; Y142-I152 HydrophobicContact CE1-CD1 3.73Å; Y142-I152 HydrophobicContact CE1-CG1 4.06Å; Y142-I152 HydrophobicContact CE1-CG2 4.23Å; Y142-V190 VanDerWaalsContact O-CA 3.29Å; Y142-V190 WeakPolarHBondContact O-CA 3.31Å; Y142-V191 HydrophobicContact CD1-CG2 3.85Å; Y142-V191 HydrophobicContact CG-CG2 4.45Å; Y142-V191 PolarHBondContact N-O 2.01Å; Y142-V191 PolarHBondContact O-N 2.78Å; Y142-I214 HydrophobicContact CD1-CG1 4.41Å; Y142-I214 HydrophobicContact CD2-CG1 3.87Å; Y142-I214 HydrophobicContact CE1-CG2 4.37Å; Y142-I214 HydrophobicContact CE2-CG1 4.31Å; Y142-I214 HydrophobicContact CG-CD1 4.24Å; Y142-I214 HydrophobicContact CG-CG1 3.93Å; Y142-V217 HydrophobicContact CE2-CG1 4.47Å; Y142-V217 HydrophobicContact CE2-CG2 3.88Å
143L94.9Very high93.8Very high22 Ų2259.3 Ų59.312%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-99.6115.6171.6171.166.2000110.1V104 Q120 Q145 V190V104-L143 HydrophobicContact CB-CB 3.99Å; V104-L143 HydrophobicContact CG1-CB 4.41Å; Q120-L143 PolarHBondContact O-N 3Å; L143-Q145 HydrophobicContact CD2-CG 4.46Å; L143-Q145 HydrophobicContact CG-CG 4.28Å; L143-Q145 PolarHBondContact O-N 3.39Å; L143-V190 HydrophobicContact CB-CG2 4.35Å; L143-V190 HydrophobicContact CD1-CG2 3.78Å
144H93.7Very high94Very high1 Ų156.4 Ų56.41%0.00528%0.28CS..  trans-78.5121.4177.8-169.761.3000111.6Y142 D148 V185 S186 S188 D189Y142-H144 HydrophobicContact CE1-CB 3.86Å; Y142-H144 AromaticContact CE1-ND1 3.82Å; Y142-H144 AromaticContact CZ-ND1 3.87Å; Y142-H144 PolarHBondContact OH-ND1 3.08Å; Y142-H144 VanDerWaalsContact OH-ND1 3.1Å; H144-D148 PolarHBondContact NE2-O 3Å; H144-V185 HydrophobicContact CB-CG1 3.76Å; H144-S186 PolarHBondContact CD2-O 2.87Å; H144-S188 WeakPolarHBondContact O-CA 2.99Å; H144-S188 PolarHBondContact O-N 2.93Å; H144-D189 PolarHBondContact N-O 2.94Å
145Q90.3Very high94Very high54 Ų5459.1 Ų59.125%0.25229%0.294SS..  trans-109.4-14.7-175.6-68.3-179.30.500114.1R118 Q120 L143 H187R118-Q145 PolarHBondContact O-NE2 3Å; Q120-Q145 VanDerWaalsContact CG-CD 3.42Å; Q120-Q145 HydrophobicContact CG-CG 4.05Å; L143-Q145 HydrophobicContact CD2-CG 4.46Å; L143-Q145 HydrophobicContact CG-CG 4.28Å; L143-Q145 PolarHBondContact O-N 3.39Å; Q145-H187 PolarHBondContact O-CE1 3.09Å; Q145-H187 VanDerWaalsContact O-CE1 3.23Å; Q145-H187 PolarHBondContact O-ND1 3.46Å; Q145-H187 VanDerWaalsContact O-ND1 3.11Å
146D88.1Confident94.1Very high67 Ų6759.8 Ų59.836%0.35829%0.291SS..SBendtrans-68.1157.1176.7-67.2-9.3000110.1R150 H187D146-R150 IonicContact OD2-CZ 2.72Å; D146-R150 VanDerWaalsContact OD2-CZ 3.29Å; D146-R150 IonicContact OD2-NH1 3.5Å; D146-R150 PolarHBondContact OD2-NH1 2.99Å; D146-R150 IonicContact OD2-NH2 3.34Å; D146-H187 VanDerWaalsContact O-CB 3.32Å; D146-H187 WeakPolarHBondContact O-CB 3.48Å; D146-H187 PolarHBondContact O-ND1 2.68Å
147R89.3Confident94Very high229 Ų22961.1 Ų61.186%0.86430%0.302SS*.SBendtrans-77.4-29.8179.5-68.2-176.7178.7-177-0.4112.5
148D89.7Confident93.8Very high97 Ų9764.7 Ų64.752%0.51931%0.312SS..SBendtrans-84.1140.5-176.5-54.3-41000110H144 R150H144-D148 PolarHBondContact NE2-O 3Å; D148-R150 PolarHBondContact O-N 3.24Å; D148-R150 IonicContact OD2-NH2 3.1Å
149S92.3Very high93.5Very high66 Ų6665 Ų6546%0.46231%0.314SS..  trans-67.5132.2168174.10000109.9S184 V185S149-S184 VanDerWaalsContact OG-C 3.26Å; S149-S184 WeakPolarHBondContact OG-CA 3.31Å; S149-S184 PolarHBondContact OG-O 3.46Å; S149-V185 VanDerWaalsContact CA-O 3.26Å; S149-V185 WeakPolarHBondContact CA-O 3.36Å
150R92.7Very high92.8Very high117 Ų11769 Ų6944%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-137.1154.9-179.4-66.8-173.1-179162.410.9112.8D146 D148 I152 V185D146-R150 IonicContact OD2-CZ 2.72Å; D146-R150 VanDerWaalsContact OD2-CZ 3.29Å; D146-R150 IonicContact OD2-NH1 3.5Å; D146-R150 PolarHBondContact OD2-NH1 2.99Å; D146-R150 IonicContact OD2-NH2 3.34Å; D148-R150 PolarHBondContact O-N 3.24Å; D148-R150 IonicContact OD2-NH2 3.1Å; R150-I152 HydrophobicContact CB-CD1 4.48Å; R150-V185 PolarHBondContact N-O 2.73Å; R150-V185 WeakPolarHBondContact O-CB 3.44Å; R150-V185 PolarHBondContact O-N 3.34Å
151D93.8Very high92.2Very high82 Ų8272.3 Ų72.344%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-79.4125169.5-77.2-6000109.3Y153 F181 P183 S184D151-Y153 HydrophobicContact CB-CE2 3.83Å; D151-F181 HydrophobicContact CB-CE2 3.87Å; D151-P183 WeakPolarHBondContact OD1-CA 3.46Å; D151-S184 PolarHBondContact OD1-N 2.99Å
152I95.1Very high91.7Very high7 Ų770.2 Ų70.24%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-106.8127.7-172.9-61.6-57.1000109.6Y142 R150 F181 C182 V185 F193 I214Y142-I152 HydrophobicContact CD1-CG1 4.46Å; Y142-I152 HydrophobicContact CD1-CG2 4.04Å; Y142-I152 HydrophobicContact CE1-CD1 3.73Å; Y142-I152 HydrophobicContact CE1-CG1 4.06Å; Y142-I152 HydrophobicContact CE1-CG2 4.23Å; R150-I152 HydrophobicContact CB-CD1 4.48Å; I152-F181 WeakPolarHBondContact O-CA 3.45Å; I152-F181 WeakPolarHBondContact O-CD2 3.43Å; I152-C182 HydrophobicContact CB-CB 4.49Å; I152-C182 PolarHBondContact N-O 2.91Å; I152-C182 PolarHBondContact O-N 3.27Å; I152-V185 HydrophobicContact CB-CG2 4.03Å; I152-V185 HydrophobicContact CG1-CB 3.66Å; I152-V185 HydrophobicContact CG1-CG1 4.19Å; I152-V185 HydrophobicContact CG1-CG2 3.5Å; I152-V185 VanDerWaalsContact CG1-CG2 3.5Å; I152-F193 HydrophobicContact CG2-CE2 4.32Å; I152-F193 HydrophobicContact CG2-CZ 4.04Å; I152-I214 HydrophobicContact CD1-CG2 4.35Å; I152-I214 HydrophobicContact CG2-CD1 3.76Å; I152-I214 HydrophobicContact CG2-CG2 3.72Å
153Y96Very high91.4Very high109 Ų10970.2 Ų70.243%0.42734%0.344SS..EExtended strand (participates in β ladder)trans-124.6132.7177.3-60.9-93.1000110.3D151 N180 F181 G215D151-Y153 HydrophobicContact CB-CE2 3.83Å; Y153-N180 CarbonylContact C-O 3.46Å; Y153-N180 WeakPolarHBondContact CA-O 3.41Å; Y153-F181 HydrophobicContact CD1-CB 4.08Å; Y153-F181 AromaticContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CG 4.26Å; Y153-F181 HydrophobicContact CD2-CD2 4.33Å; Y153-F181 HydrophobicContact CE1-CB 4.1Å; Y153-F181 AromaticContact CE1-CD2 3.2Å; Y153-F181 HydrophobicContact CE1-CD2 3.2Å; Y153-F181 AromaticContact CE1-CE2 3.79Å; Y153-F181 HydrophobicContact CE1-CE2 3.79Å; Y153-F181 AromaticContact CE1-CG 3.87Å; Y153-F181 HydrophobicContact CE1-CG 3.87Å; Y153-F181 AromaticContact CE2-CD2 3.94Å; Y153-F181 HydrophobicContact CE2-CD2 3.94Å; Y153-F181 AromaticContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CG-CD2 4.21Å; Y153-F181 AromaticContact CZ-CD2 3.35Å; Y153-F181 AromaticContact CZ-CE2 3.44Å; Y153-F181 VanDerWaalsContact CZ-CE2 3.44Å; Y153-F181 WeakPolarHBondContact OH-CE2 3.45Å; Y153-G215 PolarHBondContact O-N 2.85Å
154I95.6Very high91.3Very high0 Ų069.2 Ų69.20%034%0.339CS..EExtended strand (participates in β ladder)trans-80.9135.9166.3-74.5-177000109.9L140 Y168 N180 F193 V212 G213 I214L140-I154 HydrophobicContact CD1-CD1 4.31Å; L140-I154 HydrophobicContact CD2-CD1 4.1Å; I154-Y168 HydrophobicContact CD1-CD1 4.31Å; I154-Y168 HydrophobicContact CD1-CE1 4.42Å; I154-Y168 HydrophobicContact CG2-CD1 4.1Å; I154-Y168 HydrophobicContact CG2-CE1 3.51Å; I154-Y168 HydrophobicContact CG2-CE2 4.23Å; I154-N180 HydrophobicContact CB-CB 4.13Å; I154-N180 PolarHBondContact N-O 2.99Å; I154-N180 PolarHBondContact O-ND2 2.02Å; I154-F193 HydrophobicContact CD1-CB 3.32Å; I154-F193 HydrophobicContact CD1-CD1 3.53Å; I154-F193 HydrophobicContact CD1-CD2 3.39Å; I154-F193 HydrophobicContact CD1-CE1 4.11Å; I154-F193 HydrophobicContact CD1-CE2 3.95Å; I154-F193 HydrophobicContact CD1-CG 3.13Å; I154-F193 HydrophobicContact CD1-CZ 4.29Å; I154-F193 HydrophobicContact CG1-CD1 4.07Å; I154-F193 HydrophobicContact CG1-CD2 4Å; I154-F193 HydrophobicContact CG1-CE1 4.14Å; I154-F193 HydrophobicContact CG1-CE2 4.04Å; I154-F193 HydrophobicContact CG1-CG 4Å; I154-F193 HydrophobicContact CG1-CZ 4.12Å; I154-V212 HydrophobicContact CG2-CG1 3.68Å; I154-G213 WeakPolarHBondContact CA-O 3.37Å; I154-I214 HydrophobicContact CD1-CD1 4.46Å; I154-I214 HydrophobicContact CG1-CD1 3.56Å
155L95.1Very high91.3Very high102 Ų10270.3 Ų70.353%0.53435%0.346SS..EExtended strand (participates in β ladder)trans-123.4149.3172.4-57.5173.9000109.1V212 G213L155-V212 WeakPolarHBondContact O-CA 3.21Å; L155-G213 PolarHBondContact N-O 2.88Å; L155-G213 PolarHBondContact O-N 3.16Å
156N95.3Very high91.5Very high61 Ų6168.8 Ų68.833%0.32634%0.339SS..EExtended strand (participates in β ladder)trans-132.1156.7170.158.4-88.7000111.8T159 Y168 V210 S211 V212N156-T159 WeakPolarHBondContact ND2-CG2 3.41Å; N156-Y168 WeakPolarHBondContact CB-OH 3.32Å; N156-Y168 VanDerWaalsContact CG-OH 3.27Å; N156-Y168 PolarHBondContact OD1-OH 2.04Å; N156-V210 HydrophobicContact CB-CG1 4.07Å; N156-S211 CarbonylContact C-O 3.32Å; N156-S211 WeakPolarHBondContact CA-O 3.25Å; N156-V212 HydrophobicContact CB-CG2 4.12Å
157S94.4Very high91.8Very high45 Ų4570 Ų7032%0.31534%0.342SS..  trans-64165.7168.961.60000111.2T159 V210 S211S157-T159 WeakPolarHBondContact O-CG2 3.42Å; S157-T159 PolarHBondContact O-N 3.17Å; S157-V210 WeakPolarHBondContact OG-CA 3.48Å; S157-S211 PolarHBondContact N-O 2.04Å; S157-S211 PolarHBondContact OG-N 2.89Å
158E90.3Very high92.2Very high136 Ų13660.5 Ų60.564%0.63631%0.307SS*.  trans-55.1127.9179.1-168.8-167.7145.100111.9S161E158-S161 WeakPolarHBondContact OE1-CB 3.42Å; E158-S161 PolarHBondContact OE1-OG 2.97Å
159T90.7Very high92.5Very high15 Ų1559.9 Ų59.99%0.09230%0.301CS..  trans-117.6-21.5-178.566.90000113.9N156 S157 S161 Q162 G163 V164 I166 V210N156-T159 WeakPolarHBondContact ND2-CG2 3.41Å; S157-T159 WeakPolarHBondContact O-CG2 3.42Å; S157-T159 PolarHBondContact O-N 3.17Å; T159-S161 PolarHBondContact O-N 3.2Å; T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 2.92Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; T159-G163 PolarHBondContact O-N 3.14Å; T159-V164 CarbonylContact C-O 3.59Å; T159-V164 WeakPolarHBondContact CB-O 3.41Å; T159-V164 PolarHBondContact O-N 2.92Å; T159-V164 VanDerWaalsContact O-N 3.14Å; T159-V164 PolarHBondContact OG1-O 3.31Å; T159-I166 HydrophobicContact CG2-CD1 3.96Å; T159-I166 HydrophobicContact CG2-CG1 4.28Å; T159-V210 HydrophobicContact CG2-CG1 3.76Å; T159-V210 HydrophobicContact CG2-CG2 3.86Å
160E81.9Confident92.7Very high145 Ų14556.8 Ų56.868%0.67828%0.279SS*.THydrogen-bonded Turntrans-65.4-41.2-172-65-168.4162.100112.6Q162 G163 R203E160-Q162 PolarHBondContact O-N 2.88Å; E160-G163 PolarHBondContact O-N 3.44Å; E160-R203 PolarHBondContact O-NH1 2.83Å
161S84.6Confident92.9Very high69 Ų6955.3 Ų55.348%0.48328%0.277SS..THydrogen-bonded Turntrans-63.3-26.5175.148.80000112.6E158 T159E158-S161 WeakPolarHBondContact OE1-CB 3.42Å; E158-S161 PolarHBondContact OE1-OG 2.97Å; T159-S161 PolarHBondContact O-N 3.2Å
162Q86.1Confident92.8Very high48 Ų4852 Ų5222%0.22426%0.261CS..THydrogen-bonded Turntrans-87.7-4.5179.6-60.3177.8-23.200113.4T159 E160 V164 A208 V209T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 2.92Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; E160-Q162 PolarHBondContact O-N 2.88Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 HydrophobicContact CB-CG2 4.43Å; Q162-A208 HydrophobicContact CB-CB 3.79Å; Q162-A208 HydrophobicContact CG-CB 4.17Å; Q162-V209 PolarHBondContact NE2-O 3.02Å
163G88.4Confident92.4Very high2 Ų258.9 Ų58.92%0.02129%0.286CS..THydrogen-bonded Turntrans75.415.7-176.900000114T159 E160 R200T159-G163 PolarHBondContact O-N 3.14Å; E160-G163 PolarHBondContact O-N 3.44Å; G163-R200 PolarHBondContact O-N 3.19Å
164V92.8Very high92Very high1 Ų156.3 Ų56.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-105.6138.4-178.8178.90000109.7T159 Q162 I166 V197 K198 L199 A208 V225T159-V164 CarbonylContact C-O 3.59Å; T159-V164 WeakPolarHBondContact CB-O 3.41Å; T159-V164 PolarHBondContact O-N 2.92Å; T159-V164 VanDerWaalsContact O-N 3.14Å; T159-V164 PolarHBondContact OG1-O 3.31Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 HydrophobicContact CB-CG2 4.43Å; V164-I166 HydrophobicContact CG1-CG1 4.16Å; V164-V197 HydrophobicContact CG1-CG1 3.75Å; V164-K198 WeakPolarHBondContact CA-O 3.45Å; V164-L199 HydrophobicContact CG2-CD1 4.22Å; V164-A208 HydrophobicContact CG2-CB 4.03Å; V164-V225 HydrophobicContact CG2-CB 4.37Å; V164-V225 HydrophobicContact CG2-CG1 4.17Å
165T93.8Very high91.7Very high24 Ų2461.7 Ų61.715%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-119.3136.1170.8-57.70000109K198 R200T165-K198 PolarHBondContact N-O 3.39Å; T165-K198 PolarHBondContact O-N 3.1Å; T165-R200 PolarHBondContact OG1-NE 3.26Å; T165-R200 PolarHBondContact OG1-NH2 3.39Å
166I95.1Very high91.7Very high22 Ų2260.7 Ų60.711%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-120.9128.3176.6-55.3-177.3000108.2T159 V164 Y168 V195 S196 V197 V210 V212 L223T159-I166 HydrophobicContact CG2-CD1 3.96Å; T159-I166 HydrophobicContact CG2-CG1 4.28Å; V164-I166 HydrophobicContact CG1-CG1 4.16Å; I166-Y168 HydrophobicContact CB-CE2 4.47Å; I166-Y168 HydrophobicContact CG2-CD1 4.31Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 3.62Å; I166-Y168 HydrophobicContact CG2-CE2 3.84Å; I166-Y168 WeakPolarHBondContact CG2-OH 3.44Å; I166-V195 HydrophobicContact CG2-CG1 3.58Å; I166-S196 WeakPolarHBondContact CA-O 2.96Å; I166-V197 HydrophobicContact CG1-CG2 4.48Å; I166-V210 HydrophobicContact CD1-CB 4.5Å; I166-V210 HydrophobicContact CD1-CG1 3.78Å; I166-V212 HydrophobicContact CD1-CG2 4.43Å; I166-L223 HydrophobicContact CD1-CD2 4.18Å
167E95.6Very high91.5Very high92 Ų9260.4 Ų60.443%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-115.1148.1172.6-70.8166.5-160.300108.7S196 K198E167-S196 PolarHBondContact N-O 3.48Å; E167-S196 PolarHBondContact O-N 3.43Å; E167-K198 IonicContact OE1-NZ 3.25Å; E167-K198 PolarHBondContact OE1-NZ 3.4Å; E167-K198 IonicContact OE2-NZ 2.72Å; E167-K198 PolarHBondContact OE2-NZ 2.98Å
168Y96.8Very high91.5Very high30 Ų3064.1 Ų64.112%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-126.3141.7-176.4-58.5-78.3000111I154 N156 I166 G179 N180 N194 V195 V212I154-Y168 HydrophobicContact CD1-CD1 4.31Å; I154-Y168 HydrophobicContact CD1-CE1 4.42Å; I154-Y168 HydrophobicContact CG2-CD1 4.1Å; I154-Y168 HydrophobicContact CG2-CE1 3.51Å; I154-Y168 HydrophobicContact CG2-CE2 4.23Å; N156-Y168 WeakPolarHBondContact CB-OH 3.32Å; N156-Y168 VanDerWaalsContact CG-OH 3.27Å; N156-Y168 PolarHBondContact OD1-OH 2.04Å; I166-Y168 HydrophobicContact CB-CE2 4.47Å; I166-Y168 HydrophobicContact CG2-CD1 4.31Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 3.62Å; I166-Y168 HydrophobicContact CG2-CE2 3.84Å; I166-Y168 WeakPolarHBondContact CG2-OH 3.44Å; Y168-G179 CarbonylContact C-O 3.52Å; Y168-G179 VanDerWaalsContact C-O 3.32Å; Y168-G179 WeakPolarHBondContact CB-O 3.11Å; Y168-G179 CarbonylContact O-C 2.98Å; Y168-G179 WeakPolarHBondContact O-CA 3.45Å; Y168-G179 PolarHBondContact O-N 3.04Å; Y168-N180 HydrophobicContact CD2-CB 3.77Å; Y168-N180 HydrophobicContact CE2-CB 4.48Å; Y168-N180 HydrophobicContact CG-CB 3.95Å; Y168-N194 WeakPolarHBondContact CA-O 3.11Å; Y168-V195 HydrophobicContact CD1-CB 4.48Å; Y168-V195 HydrophobicContact CD1-CG1 4.31Å; Y168-V195 HydrophobicContact CD1-CG2 4.03Å; Y168-V195 HydrophobicContact CE1-CB 4.43Å; Y168-V195 HydrophobicContact CE1-CG1 3.87Å; Y168-V195 HydrophobicContact CE1-CG2 3.99Å; Y168-V212 HydrophobicContact CE1-CG1 4.3Å
169E96.8Very high91.7Very high85 Ų8559 Ų5940%0.39732%0.322SS..EExtended strand (participates in β ladder)trans-129.4121.7166.5179.8-179.7-112.300108.1V176 Q177 F193 N194E169-V176 HydrophobicContact CG-CG1 3.41Å; E169-V176 VanDerWaalsContact CG-CG1 3.41Å; E169-V176 WeakPolarHBondContact OE1-CG1 3.48Å; E169-Q177 CarbonylContact C-O 3.53Å; E169-F193 CarbonylContact O-C 2.96Å; E169-F193 WeakPolarHBondContact O-CA 3.28Å; E169-N194 HydrophobicContact CB-CB 4.28Å; E169-N194 PolarHBondContact N-O 3.12Å; E169-N194 PolarHBondContact O-N 3.14Å
170A96.7Very high92Very high0 Ų061.1 Ų61.10%033%0.333CS..EExtended strand (participates in β ladder)trans-93.2134.5-175.500000110.5V176 Q177 G179 F181 F193A170-V176 CarbonylContact O-C 3.48Å; A170-V176 WeakPolarHBondContact O-CA 3.12Å; A170-Q177 HydrophobicContact CB-CG 4.08Å; A170-Q177 PolarHBondContact N-O 3.08Å; A170-Q177 PolarHBondContact O-N 3.3Å; A170-G179 PolarHBondContact N-O 3.49Å; A170-F181 WeakPolarHBondContact CB-O 3.37Å; A170-F193 HydrophobicContact CB-CD1 3.62Å; A170-F193 HydrophobicContact CB-CE1 3.63Å
171E95.2Very high92.6Very high87 Ų8756.8 Ų56.841%0.40731%0.312SS..EExtended strand (participates in β ladder)trans-112.899.1170.8-174.6-172.5173.300109.1I175 V176 S192E171-I175 CarbonylContact C-O 3.57Å; E171-I175 WeakPolarHBondContact CA-O 3.36Å; E171-V176 HydrophobicContact CB-CG2 4.32Å; E171-V176 HydrophobicContact CG-CG2 4.05Å; E171-S192 PolarHBondContact N-O 3.32Å; E171-S192 PolarHBondContact O-N 3.36Å; E171-S192 VanDerWaalsContact O-N 3.12Å
172C92.9Very high93.1Very high13 Ų1353.5 Ų53.59%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-106.9107.6-175.2-41.20000108.7G174 I175 C182C172-G174 VanDerWaalsContact C-N 3.26Å; C172-G174 PolarHBondContact O-N 3.26Å; C172-I175 PolarHBondContact N-O 3.28Å; C172-I175 PolarHBondContact O-N 3.43Å; C172-C182 HydrophobicContact CB-CB 3.84Å; C172-C182 WeakPolarHBondContact CB-SG 3.5Å; C172-C182 WeakPolarHBondContact SG-CA 3.44Å; C172-C182 WeakPolarHBondContact SG-CB 3.39Å; C172-C182 CovalentContact SG-SG 2.03Å; C172-C182 PolarHBondContact SG-SG 3.46Å
173R87.3Confident93.5Very high150 Ų15053.9 Ų53.957%0.56630%0.295SS*.THydrogen-bonded Turntrans53.640-178.7-56.1179.1-179.7146.62.3113.3I175 S184 S186 D189R173-I175 VanDerWaalsContact C-N 3.34Å; R173-S184 PolarHBondContact NH2-O 2.86Å; R173-S186 PolarHBondContact NH2-OG 3.27Å; R173-D189 IonicContact CZ-OD2 2.95Å; R173-D189 IonicContact NE-OD2 2.68Å; R173-D189 PolarHBondContact NE-OD2 3.29Å; R173-D189 VanDerWaalsContact NE-OD2 3.1Å; R173-D189 IonicContact NH2-OD2 2.7Å; R173-D189 PolarHBondContact NH2-OD2 3.05Å
174G85.7Confident93.7Very high55 Ų5556.7 Ų56.757%0.56731%0.314SS*.THydrogen-bonded Turntrans82.92.1-179.800000115.2C172C172-G174 VanDerWaalsContact C-N 3.26Å; C172-G174 PolarHBondContact O-N 3.26Å
175I90.8Very high93.8Very high113 Ų11356.8 Ų56.858%0.57932%0.315SS*.EExtended strand (participates in β ladder)trans-97.9116.3173.6-57175.7000108.6E171 C172 R173E171-I175 CarbonylContact C-O 3.57Å; E171-I175 WeakPolarHBondContact CA-O 3.36Å; C172-I175 PolarHBondContact N-O 3.28Å; C172-I175 PolarHBondContact O-N 3.43Å; R173-I175 VanDerWaalsContact C-N 3.34Å
176V93.5Very high93.8Very high81 Ų8157.8 Ų57.849%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-87.4128.4175.9-176.80000109.6E169 A170 E171E169-V176 HydrophobicContact CG-CG1 3.41Å; E169-V176 VanDerWaalsContact CG-CG1 3.41Å; E169-V176 WeakPolarHBondContact OE1-CG1 3.48Å; A170-V176 CarbonylContact O-C 3.48Å; A170-V176 WeakPolarHBondContact O-CA 3.12Å; E171-V176 HydrophobicContact CB-CG2 4.32Å; E171-V176 HydrophobicContact CG-CG2 4.05Å
177Q92.7Very high93.6Very high56 Ų5661.5 Ų61.526%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-143143.4179.963.4-176.43800111.8E169 A170 G179 F181E169-Q177 CarbonylContact C-O 3.53Å; A170-Q177 HydrophobicContact CB-CG 4.08Å; A170-Q177 PolarHBondContact N-O 3.08Å; A170-Q177 PolarHBondContact O-N 3.3Å; Q177-G179 PolarHBondContact O-N 3.13Å; Q177-F181 PolarHBondContact NE2-O 2.87Å
178P94.6Very high93.4Very high122 Ų12260.7 Ų60.779%0.79234%0.344SS*.EExtended strand (participates in β ladder)trans-65137.7175.727-33.7000110.7
179G94.4Very high93.3Very high29 Ų2961.2 Ų61.230%0.29935%0.349SS..SBendtrans117.9-176.6176.500000114.1Y168 A170 Q177Y168-G179 CarbonylContact C-O 3.52Å; Y168-G179 VanDerWaalsContact C-O 3.32Å; Y168-G179 WeakPolarHBondContact CB-O 3.11Å; Y168-G179 CarbonylContact O-C 2.98Å; Y168-G179 WeakPolarHBondContact O-CA 3.45Å; Y168-G179 PolarHBondContact O-N 3.04Å; A170-G179 PolarHBondContact N-O 3.49Å; Q177-G179 PolarHBondContact O-N 3.13Å
180N95.4Very high93.2Very high60 Ų6059.8 Ų59.832%0.32135%0.346SS..SBendtrans-109.528.2-170.863.8-34.3000112.4Y153 I154 Y168Y153-N180 CarbonylContact C-O 3.46Å; Y153-N180 WeakPolarHBondContact CA-O 3.41Å; I154-N180 HydrophobicContact CB-CB 4.13Å; I154-N180 PolarHBondContact N-O 2.99Å; I154-N180 PolarHBondContact O-ND2 2.02Å; Y168-N180 HydrophobicContact CD2-CB 3.77Å; Y168-N180 HydrophobicContact CE2-CB 4.48Å; Y168-N180 HydrophobicContact CG-CB 3.95Å
181F95.5Very high93.1Very high54 Ų5459.9 Ų59.924%0.23735%0.347CS..EExtended strand (participates in β ladder)trans-133.8135.9-166.3167.6-110.6000112.9D151 I152 Y153 A170 Q177 P183D151-F181 HydrophobicContact CB-CE2 3.87Å; I152-F181 WeakPolarHBondContact O-CA 3.45Å; I152-F181 WeakPolarHBondContact O-CD2 3.43Å; Y153-F181 HydrophobicContact CD1-CB 4.08Å; Y153-F181 AromaticContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CG 4.26Å; Y153-F181 HydrophobicContact CD2-CD2 4.33Å; Y153-F181 HydrophobicContact CE1-CB 4.1Å; Y153-F181 AromaticContact CE1-CD2 3.2Å; Y153-F181 HydrophobicContact CE1-CD2 3.2Å; Y153-F181 AromaticContact CE1-CE2 3.79Å; Y153-F181 HydrophobicContact CE1-CE2 3.79Å; Y153-F181 AromaticContact CE1-CG 3.87Å; Y153-F181 HydrophobicContact CE1-CG 3.87Å; Y153-F181 AromaticContact CE2-CD2 3.94Å; Y153-F181 HydrophobicContact CE2-CD2 3.94Å; Y153-F181 AromaticContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CG-CD2 4.21Å; Y153-F181 AromaticContact CZ-CD2 3.35Å; Y153-F181 AromaticContact CZ-CE2 3.44Å; Y153-F181 VanDerWaalsContact CZ-CE2 3.44Å; Y153-F181 WeakPolarHBondContact OH-CE2 3.45Å; A170-F181 WeakPolarHBondContact CB-O 3.37Å; Q177-F181 PolarHBondContact NE2-O 2.87Å; F181-P183 HydrophobicContact CE1-CB 3.78Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.42Å; F181-P183 HydrophobicContact CZ-CB 3.51Å; F181-P183 HydrophobicContact CZ-CG 4.23Å
182C95.8Very high93.1Very high0 Ų056.7 Ų56.70%033%0.334CS..EExtended strand (participates in β ladder)trans-125.5122.8164.8-76.60000111.3I152 C172 V185 V191 F193I152-C182 HydrophobicContact CB-CB 4.49Å; I152-C182 PolarHBondContact N-O 2.91Å; I152-C182 PolarHBondContact O-N 3.27Å; C172-C182 HydrophobicContact CB-CB 3.84Å; C172-C182 WeakPolarHBondContact CB-SG 3.5Å; C172-C182 WeakPolarHBondContact SG-CA 3.44Å; C172-C182 WeakPolarHBondContact SG-CB 3.39Å; C172-C182 CovalentContact SG-SG 2.03Å; C172-C182 PolarHBondContact SG-SG 3.46Å; C182-V185 HydrophobicContact CB-CG2 3.73Å; C182-V191 HydrophobicContact CB-CG1 4.16Å; C182-F193 HydrophobicContact CB-CZ 4.36Å
183P94.1Very high93.3Very high55 Ų5556 Ų5636%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-77.5147178.528.7-32000112.6D151 F181 V185D151-P183 WeakPolarHBondContact OD1-CA 3.46Å; F181-P183 HydrophobicContact CE1-CB 3.78Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.42Å; F181-P183 HydrophobicContact CZ-CB 3.51Å; F181-P183 HydrophobicContact CZ-CG 4.23Å; P183-V185 VanDerWaalsContact C-N 3.33Å; P183-V185 PolarHBondContact O-N 3.44Å
184S92.7Very high93.7Very high61 Ų6151.7 Ų51.743%0.42732%0.317SS..EExtended strand (participates in β ladder)trans50.245.6163.9-58.70000114.8S149 D151 R173 S186S149-S184 VanDerWaalsContact OG-C 3.26Å; S149-S184 WeakPolarHBondContact OG-CA 3.31Å; S149-S184 PolarHBondContact OG-O 3.46Å; D151-S184 PolarHBondContact OD1-N 2.99Å; R173-S184 PolarHBondContact NH2-O 2.86Å; S184-S186 PolarHBondContact O-N 3.42Å
185V93.9Very high94.3Very high3 Ų349 Ų492%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-71.9123.2177.7-176.20000108.9H144 S149 R150 I152 C182 P183 D189 V191H144-V185 HydrophobicContact CB-CG1 3.76Å; S149-V185 VanDerWaalsContact CA-O 3.26Å; S149-V185 WeakPolarHBondContact CA-O 3.36Å; R150-V185 PolarHBondContact N-O 2.73Å; R150-V185 WeakPolarHBondContact O-CB 3.44Å; R150-V185 PolarHBondContact O-N 3.34Å; I152-V185 HydrophobicContact CB-CG2 4.03Å; I152-V185 HydrophobicContact CG1-CB 3.66Å; I152-V185 HydrophobicContact CG1-CG1 4.19Å; I152-V185 HydrophobicContact CG1-CG2 3.5Å; I152-V185 VanDerWaalsContact CG1-CG2 3.5Å; C182-V185 HydrophobicContact CB-CG2 3.73Å; P183-V185 VanDerWaalsContact C-N 3.33Å; P183-V185 PolarHBondContact O-N 3.44Å; V185-D189 HydrophobicContact CG1-CB 3.64Å; V185-V191 HydrophobicContact CG1-CG1 3.99Å; V185-V191 HydrophobicContact CG2-CG1 3.82Å
186S93.7Very high94.6Very high46 Ų4644.8 Ų44.832%0.32227%0.271SS..PPolyproline II helixtrans-94.8166-174.1-67.10000112.2H144 R173 S184 S188 D189H144-S186 PolarHBondContact CD2-O 2.87Å; R173-S186 PolarHBondContact NH2-OG 3.27Å; S184-S186 PolarHBondContact O-N 3.42Å; S186-S188 PolarHBondContact O-N 2.8Å; S186-D189 WeakPolarHBondContact CB-OD2 2.9Å; S186-D189 PolarHBondContact N-OD2 2.77Å; S186-D189 VanDerWaalsContact O-CB 3.24Å; S186-D189 WeakPolarHBondContact O-CB 2.9Å; S186-D189 PolarHBondContact O-N 3.19Å
187H92.4Very high94.7Very high100 Ų10041 Ų4146%0.46325%0.248SC..THydrogen-bonded Turntrans-53132.3176.3-177.669.2000111.5Q145 D146 D189Q145-H187 PolarHBondContact O-CE1 3.09Å; Q145-H187 VanDerWaalsContact O-CE1 3.23Å; Q145-H187 PolarHBondContact O-ND1 3.46Å; Q145-H187 VanDerWaalsContact O-ND1 3.11Å; D146-H187 VanDerWaalsContact O-CB 3.32Å; D146-H187 WeakPolarHBondContact O-CB 3.48Å; D146-H187 PolarHBondContact O-ND1 2.68Å; H187-D189 PolarHBondContact O-N 2.97Å
188S91.3Very high94.8Very high75 Ų7541.6 Ų41.652%0.52425%0.249SC..THydrogen-bonded Turntrans68.55.4-176.7-56.90000116.1H144 S186H144-S188 WeakPolarHBondContact O-CA 2.99Å; H144-S188 PolarHBondContact O-N 2.93Å; S186-S188 PolarHBondContact O-N 2.8Å
189D93.5Very high94.7Very high40 Ų4036 Ų3621%0.21421%0.213CC..  trans-67.5142.9168.8-76.1-9.9000110.4H144 R173 V185 S186 H187H144-D189 PolarHBondContact N-O 2.94Å; R173-D189 IonicContact CZ-OD2 2.95Å; R173-D189 IonicContact NE-OD2 2.68Å; R173-D189 PolarHBondContact NE-OD2 3.29Å; R173-D189 VanDerWaalsContact NE-OD2 3.1Å; R173-D189 IonicContact NH2-OD2 2.7Å; R173-D189 PolarHBondContact NH2-OD2 3.05Å; V185-D189 HydrophobicContact CG1-CB 3.64Å; S186-D189 WeakPolarHBondContact CB-OD2 2.9Å; S186-D189 PolarHBondContact N-OD2 2.77Å; S186-D189 VanDerWaalsContact O-CB 3.24Å; S186-D189 WeakPolarHBondContact O-CB 2.9Å; S186-D189 PolarHBondContact O-N 3.19Å; H187-D189 PolarHBondContact O-N 2.97Å
190V94.2Very high94.5Very high56 Ų5642.3 Ų42.334%0.33923%0.228SC..EExtended strand (participates in β ladder)trans-110.9121.9167.1-178.10000108.3V104 R141 Y142 L143V104-V190 HydrophobicContact CG2-CG1 4.29Å; V104-V190 HydrophobicContact CG2-CG2 4.37Å; R141-V190 HydrophobicContact CB-CG1 4.39Å; Y142-V190 VanDerWaalsContact O-CA 3.29Å; Y142-V190 WeakPolarHBondContact O-CA 3.31Å; L143-V190 HydrophobicContact CB-CG2 4.35Å; L143-V190 HydrophobicContact CD1-CG2 3.78Å
191V94.9Very high94.1Very high2 Ų243.3 Ų43.31%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-110.6147.1172.5-64.50000109.5R141 Y142 C182 V185 F193R141-V191 WeakPolarHBondContact CA-O 3.2Å; Y142-V191 HydrophobicContact CD1-CG2 3.85Å; Y142-V191 HydrophobicContact CG-CG2 4.45Å; Y142-V191 PolarHBondContact N-O 2.01Å; Y142-V191 PolarHBondContact O-N 2.78Å; C182-V191 HydrophobicContact CB-CG1 4.16Å; V185-V191 HydrophobicContact CG1-CG1 3.99Å; V185-V191 HydrophobicContact CG2-CG1 3.82Å; V191-F193 HydrophobicContact CB-CE2 4.41Å; V191-F193 HydrophobicContact CG2-CE2 3.68Å; V191-F193 HydrophobicContact CG2-CZ 4.24Å
192S96.2Very high93.6Very high19 Ų1942.3 Ų42.313%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-116.6148.9179.2-56.80000109.9L140 E171L140-S192 CarbonylContact O-C 3.52Å; L140-S192 VanDerWaalsContact O-CA 3.3Å; L140-S192 WeakPolarHBondContact O-CA 3.43Å; E171-S192 PolarHBondContact N-O 3.32Å; E171-S192 PolarHBondContact O-N 3.36Å; E171-S192 VanDerWaalsContact O-N 3.12Å
193F96.9Very high93Very high0 Ų048.7 Ų48.70%025%0.254CS..EExtended strand (participates in β ladder)trans-133.8120174.9-61.9-93.6000108.4L140 I152 I154 E169 A170 C182 V191 V195 I214L140-F193 HydrophobicContact CD2-CD2 4.08Å; L140-F193 PolarHBondContact N-O 3.16Å; L140-F193 PolarHBondContact O-N 2.02Å; I152-F193 HydrophobicContact CG2-CE2 4.32Å; I152-F193 HydrophobicContact CG2-CZ 4.04Å; I154-F193 HydrophobicContact CD1-CB 3.32Å; I154-F193 HydrophobicContact CD1-CD1 3.53Å; I154-F193 HydrophobicContact CD1-CD2 3.39Å; I154-F193 HydrophobicContact CD1-CE1 4.11Å; I154-F193 HydrophobicContact CD1-CE2 3.95Å; I154-F193 HydrophobicContact CD1-CG 3.13Å; I154-F193 HydrophobicContact CD1-CZ 4.29Å; I154-F193 HydrophobicContact CG1-CD1 4.07Å; I154-F193 HydrophobicContact CG1-CD2 4Å; I154-F193 HydrophobicContact CG1-CE1 4.14Å; I154-F193 HydrophobicContact CG1-CE2 4.04Å; I154-F193 HydrophobicContact CG1-CG 4Å; I154-F193 HydrophobicContact CG1-CZ 4.12Å; E169-F193 CarbonylContact O-C 2.96Å; E169-F193 WeakPolarHBondContact O-CA 3.28Å; A170-F193 HydrophobicContact CB-CD1 3.62Å; A170-F193 HydrophobicContact CB-CE1 3.63Å; C182-F193 HydrophobicContact CB-CZ 4.36Å; V191-F193 HydrophobicContact CB-CE2 4.41Å; V191-F193 HydrophobicContact CG2-CE2 3.68Å; V191-F193 HydrophobicContact CG2-CZ 4.24Å; F193-V195 PolarHBondContact O-N 3.38Å; F193-I214 HydrophobicContact CE2-CD1 4.06Å
194N96.6Very high91.8Very high58 Ų5847.1 Ų47.131%0.3125%0.245SC..EExtended strand (participates in β ladder)trans-78.8115.5171.5-171.313.4000108.5S137 Y168 E169S137-N194 WeakPolarHBondContact CB-OD1 2.95Å; Y168-N194 WeakPolarHBondContact CA-O 3.11Å; E169-N194 HydrophobicContact CB-CB 4.28Å; E169-N194 PolarHBondContact N-O 3.12Å; E169-N194 PolarHBondContact O-N 3.14Å
195V97Very high90.5Very high0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-102.3110-176.1-1750000108.4S137 F138 L140 I166 Y168 F193 V197S137-V195 VanDerWaalsContact CA-O 3.25Å; S137-V195 WeakPolarHBondContact CA-O 3.49Å; F138-V195 HydrophobicContact CD1-CB 4.39Å; F138-V195 HydrophobicContact CD2-CB 4.43Å; F138-V195 HydrophobicContact CE1-CB 3.99Å; F138-V195 HydrophobicContact CE1-CG1 3.94Å; F138-V195 HydrophobicContact CE2-CB 4.03Å; F138-V195 HydrophobicContact CE2-CG1 4.49Å; F138-V195 HydrophobicContact CE2-CG2 4.1Å; F138-V195 HydrophobicContact CZ-CB 3.8Å; F138-V195 HydrophobicContact CZ-CG1 3.8Å; F138-V195 HydrophobicContact CZ-CG2 4.22Å; F138-V195 PolarHBondContact N-O 2.82Å; F138-V195 VanDerWaalsContact N-O 3.08Å; F138-V195 PolarHBondContact O-N 3.05Å; L140-V195 HydrophobicContact CB-CG2 3.92Å; I166-V195 HydrophobicContact CG2-CG1 3.58Å; Y168-V195 HydrophobicContact CD1-CB 4.48Å; Y168-V195 HydrophobicContact CD1-CG1 4.31Å; Y168-V195 HydrophobicContact CD1-CG2 4.03Å; Y168-V195 HydrophobicContact CE1-CB 4.43Å; Y168-V195 HydrophobicContact CE1-CG1 3.87Å; Y168-V195 HydrophobicContact CE1-CG2 3.99Å; F193-V195 PolarHBondContact O-N 3.38Å; V195-V197 HydrophobicContact CG1-CG2 4.16Å
196S97Very high89.5Confident24 Ų2455.7 Ų55.717%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-99.7108.9177.6-64.60000110.7S137 I166 E167S137-S196 PolarHBondContact OG-OG 2.74Å; I166-S196 WeakPolarHBondContact CA-O 2.96Å; E167-S196 PolarHBondContact N-O 3.48Å; E167-S196 PolarHBondContact O-N 3.43Å
197V96Very high89.1Confident0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-97.1124.8180-173.70000109.2I128 M130 A135 I136 F138 V164 I166 V195 L223 V225I128-V197 HydrophobicContact CD1-CB 4.05Å; I128-V197 HydrophobicContact CD1-CG1 4.34Å; I128-V197 HydrophobicContact CD1-CG2 3.91Å; M130-V197 WeakPolarHBondContact CE-O 3.37Å; M130-V197 HydrophobicContact SD-CG1 4.18Å; A135-V197 CarbonylContact C-O 3.56Å; A135-V197 WeakPolarHBondContact CA-O 3.4Å; I136-V197 PolarHBondContact N-O 2.73Å; I136-V197 PolarHBondContact O-N 2.82Å; F138-V197 HydrophobicContact CE1-CG2 3.91Å; V164-V197 HydrophobicContact CG1-CG1 3.75Å; I166-V197 HydrophobicContact CG1-CG2 4.48Å; V195-V197 HydrophobicContact CG1-CG2 4.16Å; V197-L223 HydrophobicContact CG1-CD2 4.32Å; V197-L223 HydrophobicContact CG2-CD2 3.76Å; V197-V225 HydrophobicContact CG1-CG2 4.1Å
198K94.7Very high88.9Confident69 Ų6950 Ų5030%0.328%0.28SS..EExtended strand (participates in β ladder)trans-120.1132.3177.6-65.3178.4-171.5161.70110.3D134 A135 V164 T165 E167D134-K198 WeakPolarHBondContact O-CA 3.47Å; A135-K198 HydrophobicContact CB-CD 4.36Å; A135-K198 HydrophobicContact CB-CG 3.66Å; V164-K198 WeakPolarHBondContact CA-O 3.45Å; T165-K198 PolarHBondContact N-O 3.39Å; T165-K198 PolarHBondContact O-N 3.1Å; E167-K198 IonicContact OE1-NZ 3.25Å; E167-K198 PolarHBondContact OE1-NZ 3.4Å; E167-K198 IonicContact OE2-NZ 2.72Å; E167-K198 PolarHBondContact OE2-NZ 2.98Å
199L93.1Very high89Confident6 Ų650 Ų503%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-96.5118.3172.6-177.867.2000108.9M130 P132 G133 D134 V164 E201 P227M130-L199 HydrophobicContact CE-CB 3.86Å; M130-L199 HydrophobicContact CG-CB 3.78Å; M130-L199 HydrophobicContact CG-CD2 4.01Å; M130-L199 HydrophobicContact CG-CG 4.5Å; M130-L199 WeakPolarHBondContact O-CD2 3.49Å; M130-L199 HydrophobicContact SD-CB 3.71Å; P132-L199 CarbonylContact C-O 3.52Å; P132-L199 HydrophobicContact CG-CD2 4.14Å; G133-L199 PolarHBondContact N-O 3.12Å; D134-L199 PolarHBondContact O-N 2.84Å; V164-L199 HydrophobicContact CG2-CD1 4.22Å; L199-E201 WeakPolarHBondContact CD1-O 3.26Å; L199-P227 HydrophobicContact CD1-CB 4.31Å; L199-P227 HydrophobicContact CD2-CB 3.47Å; L199-P227 VanDerWaalsContact CD2-CB 3.47Å
200R89.5Confident89.1Confident160 Ų16048.1 Ų48.160%0.60427%0.267SS*.  trans-77.4-43.4179.2-64.4-171.4-178.3179.37.5111.7G163 T165G163-R200 PolarHBondContact O-N 3.19Å; T165-R200 PolarHBondContact OG1-NE 3.26Å; T165-R200 PolarHBondContact OG1-NH2 3.39Å
201E86.8Confident89.1Confident82 Ų8248 Ų4838%0.38327%0.268SS..SBendtrans-162.8162.8-173.153.9178.2146.200111.6L199 R203L199-E201 WeakPolarHBondContact CD1-O 3.26Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 HydrophobicContact CG-CG 3.88Å; E201-R203 PolarHBondContact O-N 2.88Å; E201-R203 IonicContact OE1-CZ 3.73Å; E201-R203 IonicContact OE1-NE 3.24Å; E201-R203 PolarHBondContact OE1-NE 3.33Å; E201-R203 IonicContact OE1-NH2 3.06Å; E201-R203 PolarHBondContact OE1-NH2 2.87Å; E201-R203 IonicContact OE2-NE 2.68Å
202C86Confident89.2Confident32 Ų3248 Ų4822%0.21627%0.268CS..SBendtrans-78.666.5178.4-75.80000112.6P132 C229P132-C202 WeakPolarHBondContact CG-SG 3.36Å; C202-C229 HydrophobicContact CB-CB 3.82Å; C202-C229 WeakPolarHBondContact CB-SG 3.07Å; C202-C229 VanDerWaalsContact SG-CA 3.52Å; C202-C229 WeakPolarHBondContact SG-CB 2.94Å; C202-C229 CovalentContact SG-SG 2.02Å; C202-C229 PolarHBondContact SG-SG 2.84Å
203R83Confident89.2Confident135 Ų13547.5 Ų47.551%0.50927%0.266SS..  trans-84.5-39.3175.1-82.2178.4-172.2-177.78.2113.4E160 E201 N205E160-R203 PolarHBondContact O-NH1 2.83Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 HydrophobicContact CG-CG 3.88Å; E201-R203 PolarHBondContact O-N 2.88Å; E201-R203 IonicContact OE1-CZ 3.73Å; E201-R203 IonicContact OE1-NE 3.24Å; E201-R203 PolarHBondContact OE1-NE 3.33Å; E201-R203 IonicContact OE1-NH2 3.06Å; E201-R203 PolarHBondContact OE1-NH2 2.87Å; E201-R203 IonicContact OE2-NE 2.68Å; R203-N205 PolarHBondContact O-N 3.13Å
204A67.5Low89.1Confident21 Ų2147.8 Ų47.817%0.17427%0.268CS..  trans-89.188.3-171.300000111.3G206 G207 A208 P227A204-G206 PolarHBondContact O-N 3.38Å; A204-G207 PolarHBondContact O-N 2.72Å; A204-A208 HydrophobicContact CB-CB 4.4Å; A204-P227 WeakPolarHBondContact O-CG 3.05Å
205N65.8Low88.9Confident167 Ų16746.9 Ų46.989%0.89327%0.272SS*.THydrogen-bonded Turntrans-56.2-19.9179.5-73.6-16.4000114.3R203R203-N205 PolarHBondContact O-N 3.13Å
206G73.7Confident88.4Confident78 Ų7851.1 Ų51.180%0.80432%0.316SS*.THydrogen-bonded Turntrans-113.513.7176.900000114.8A204A204-G206 PolarHBondContact O-N 3.38Å
207G84.3Confident88Confident23 Ų2351.5 Ų51.524%0.23732%0.317CS..  trans81166.1-170.500000113.5A204 V225A204-G207 PolarHBondContact O-N 2.72Å; G207-V225 CarbonylContact C-O 3.51Å; G207-V225 VanDerWaalsContact CA-O 3.31Å; G207-V225 WeakPolarHBondContact CA-O 3.46Å
208A89.5Confident87.6Confident4 Ų463.2 Ų63.23%0.03336%0.361CS..EExtended strand (participates in β ladder)trans-113.2138.1179.300000109.8Q162 V164 A204 V225Q162-A208 HydrophobicContact CB-CB 3.79Å; Q162-A208 HydrophobicContact CG-CB 4.17Å; V164-A208 HydrophobicContact CG2-CB 4.03Å; A204-A208 HydrophobicContact CB-CB 4.4Å; A208-V225 HydrophobicContact CB-CB 4.27Å; A208-V225 PolarHBondContact N-O 3.31Å; A208-V225 PolarHBondContact O-N 3.17Å
209V93.4Very high87.3Confident75 Ų7561 Ų6146%0.45535%0.352SS..EExtended strand (participates in β ladder)trans-113.1119.8173.3-175.70000107.7Q162 L223 Y224Q162-V209 PolarHBondContact NE2-O 3.02Å; V209-L223 WeakPolarHBondContact CA-O 3.48Å; V209-Y224 HydrophobicContact CG1-CE1 4.34Å; V209-Y224 HydrophobicContact CG2-CD1 3.88Å; V209-Y224 HydrophobicContact CG2-CE1 4.02Å
210V94.3Very high87.4Confident0 Ų064.3 Ų64.30%037%0.372CS..EExtended strand (participates in β ladder)trans-118.6129.7178.2-175.10000108.9N156 S157 T159 I166 V212 L223N156-V210 HydrophobicContact CB-CG1 4.07Å; S157-V210 WeakPolarHBondContact OG-CA 3.48Å; T159-V210 HydrophobicContact CG2-CG1 3.76Å; T159-V210 HydrophobicContact CG2-CG2 3.86Å; I166-V210 HydrophobicContact CD1-CB 4.5Å; I166-V210 HydrophobicContact CD1-CG1 3.78Å; V210-V212 HydrophobicContact CG1-CG2 4.19Å; V210-L223 HydrophobicContact CB-CB 4.23Å; V210-L223 HydrophobicContact CB-CD2 4.28Å; V210-L223 PolarHBondContact N-O 3.17Å; V210-L223 WeakPolarHBondContact O-CB 3.05Å; V210-L223 PolarHBondContact O-N 3.11Å
211S95.6Very high87.7Confident53 Ų5356.7 Ų56.737%0.37134%0.343SS..EExtended strand (participates in β ladder)trans-94.6124.1170.9-61.20000108.6N156 S157 V221N156-S211 CarbonylContact C-O 3.32Å; N156-S211 WeakPolarHBondContact CA-O 3.25Å; S157-S211 PolarHBondContact N-O 2.04Å; S157-S211 PolarHBondContact OG-N 2.89Å; S211-V221 WeakPolarHBondContact CA-O 3.46Å
212V96.6Very high88.1Confident1 Ų154 Ų541%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-114126.6175-176.30000108.4L140 I154 L155 N156 I166 Y168 V210 V221L140-V212 HydrophobicContact CD1-CG1 3.85Å; I154-V212 HydrophobicContact CG2-CG1 3.68Å; L155-V212 WeakPolarHBondContact O-CA 3.21Å; N156-V212 HydrophobicContact CB-CG2 4.12Å; I166-V212 HydrophobicContact CD1-CG2 4.43Å; Y168-V212 HydrophobicContact CE1-CG1 4.3Å; V210-V212 HydrophobicContact CG1-CG2 4.19Å; V212-V221 HydrophobicContact CB-CB 4.4Å; V212-V221 PolarHBondContact N-O 2.79Å; V212-V221 PolarHBondContact O-N 3.39Å
213G95.4Very high88.6Confident9 Ų952.4 Ų52.49%0.09332%0.324CS..EExtended strand (participates in β ladder)trans-149174.7-17500000113I154 L155I154-G213 WeakPolarHBondContact CA-O 3.37Å; L155-G213 PolarHBondContact N-O 2.88Å; L155-G213 PolarHBondContact O-N 3.16Å
214I95.1Very high89.2Confident6 Ų649.8 Ų49.83%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-99.2133176.1-60-69.4000109L121 Y142 I152 I154 F193 G216 V217L121-I214 HydrophobicContact CD1-CG1 4.4Å; L121-I214 HydrophobicContact CD2-CG1 3.75Å; Y142-I214 HydrophobicContact CD1-CG1 4.41Å; Y142-I214 HydrophobicContact CD2-CG1 3.87Å; Y142-I214 HydrophobicContact CE1-CG2 4.37Å; Y142-I214 HydrophobicContact CE2-CG1 4.31Å; Y142-I214 HydrophobicContact CG-CD1 4.24Å; Y142-I214 HydrophobicContact CG-CG1 3.93Å; I152-I214 HydrophobicContact CD1-CG2 4.35Å; I152-I214 HydrophobicContact CG2-CD1 3.76Å; I152-I214 HydrophobicContact CG2-CG2 3.72Å; I154-I214 HydrophobicContact CD1-CD1 4.46Å; I154-I214 HydrophobicContact CG1-CD1 3.56Å; F193-I214 HydrophobicContact CE2-CD1 4.06Å; I214-G216 PolarHBondContact O-N 2.91Å; I214-V217 HydrophobicContact CB-CB 4.01Å; I214-V217 HydrophobicContact CB-CG2 3.87Å; I214-V217 HydrophobicContact CG2-CB 4.41Å; I214-V217 HydrophobicContact CG2-CG2 3.76Å; I214-V217 PolarHBondContact O-N 3.49Å
215G92.1Very high90.6Very high39 Ų3948.8 Ų48.840%0.40231%0.307SS..THydrogen-bonded Turntrans-53.5121.9176.700000111.9Y153Y153-G215 PolarHBondContact O-N 2.85Å
216G87.3Confident91.9Very high89 Ų8943.5 Ų43.592%0.91828%0.278SS*.THydrogen-bonded Turntrans86.3-4.4-179.500000115.6I214I214-G216 PolarHBondContact O-N 2.91Å
217V89.1Confident92.9Very high32 Ų3241.1 Ų41.119%0.19425%0.249CC..  trans-99.9141.9176178.90000109.8Y142 I214 E219Y142-V217 HydrophobicContact CE2-CG1 4.47Å; Y142-V217 HydrophobicContact CE2-CG2 3.88Å; I214-V217 HydrophobicContact CB-CB 4.01Å; I214-V217 HydrophobicContact CB-CG2 3.87Å; I214-V217 HydrophobicContact CG2-CB 4.41Å; I214-V217 HydrophobicContact CG2-CG2 3.76Å; I214-V217 PolarHBondContact O-N 3.49Å; V217-E219 HydrophobicContact CG1-CB 4.19Å
218R87Confident93.3Very high247 Ų24741.4 Ų41.493%0.93225%0.245SC*.SBendtrans-79.2-31.1-179.5-68.7-175.6179.8177.40113.7
219E88.9Confident93.5Very high23 Ų2343 Ų4311%0.10726%0.255CS..  trans-70.2138178.4-167.2166.6-141.500109.9R108 Q120 L121 V217R108-E219 IonicContact CZ-OE1 3.68Å; R108-E219 VanDerWaalsContact CZ-OE1 3.25Å; R108-E219 IonicContact NE-OE1 3.29Å; R108-E219 PolarHBondContact NE-OE1 3.41Å; R108-E219 IonicContact NH2-OE1 3.57Å; R108-E219 PolarHBondContact NH2-OE1 2.02Å; Q120-E219 WeakPolarHBondContact CA-OE2 3.08Å; Q120-E219 WeakPolarHBondContact CB-OE2 3.5Å; Q120-E219 PolarHBondContact N-OE2 3.29Å; L121-E219 HydrophobicContact CB-CG 4.09Å; L121-E219 HydrophobicContact CD1-CB 4.13Å; L121-E219 HydrophobicContact CD1-CG 4.24Å; L121-E219 WeakPolarHBondContact CD1-O 3.47Å; L121-E219 PolarHBondContact N-OE2 2.64Å; V217-E219 HydrophobicContact CG1-CB 4.19Å
220V94Very high93.5Very high74 Ų7441 Ų4145%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-135.6151.5176.7-620000109.3
221V96.1Very high93.5Very high1 Ų141.3 Ų41.31%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-89.9123.9171.4-173.10000108.6L121 P123 Q124 V126 L140 S211 V212L121-V221 HydrophobicContact CB-CG2 4.41Å; P123-V221 HydrophobicContact CG-CG1 4.42Å; P123-V221 WeakPolarHBondContact O-CG2 3.22Å; Q124-V221 WeakPolarHBondContact O-CA 3.04Å; V126-V221 HydrophobicContact CG2-CG1 3.96Å; L140-V221 HydrophobicContact CD1-CG2 3.72Å; L140-V221 HydrophobicContact CG-CG2 4.34Å; S211-V221 WeakPolarHBondContact CA-O 3.46Å; V212-V221 HydrophobicContact CB-CB 4.4Å; V212-V221 PolarHBondContact N-O 2.79Å; V212-V221 PolarHBondContact O-N 3.39Å
222A96.1Very high93.5Very high24 Ų2443.4 Ų43.420%0.19826%0.258CS..EExtended strand (participates in β ladder)trans-88.6114173.100000110Q124 Q125 V126 Y224Q124-A222 PolarHBondContact O-N 3.33Å; Q125-A222 WeakPolarHBondContact CA-O 3.45Å; Q125-A222 HydrophobicContact CG-CB 4.42Å; V126-A222 PolarHBondContact N-O 2.82Å; A222-Y224 HydrophobicContact CB-CE2 3.85Å
223L96.6Very high93.5Very high0 Ų044 Ų440%026%0.263CS..EExtended strand (participates in β ladder)trans-103.2116.1178179.367.6000110.2V126 I128 F138 I166 V197 V209 V210 V225V126-L223 HydrophobicContact CB-CD1 3.76Å; V126-L223 HydrophobicContact CG1-CD1 3.82Å; V126-L223 WeakPolarHBondContact O-CA 3.44Å; I128-L223 HydrophobicContact CD1-CD1 3.58Å; I128-L223 HydrophobicContact CG1-CD1 3.81Å; F138-L223 HydrophobicContact CE1-CD1 4.09Å; F138-L223 HydrophobicContact CZ-CD1 4.31Å; I166-L223 HydrophobicContact CD1-CD2 4.18Å; V197-L223 HydrophobicContact CG1-CD2 4.32Å; V197-L223 HydrophobicContact CG2-CD2 3.76Å; V209-L223 WeakPolarHBondContact CA-O 3.48Å; V210-L223 HydrophobicContact CB-CB 4.23Å; V210-L223 HydrophobicContact CB-CD2 4.28Å; V210-L223 PolarHBondContact N-O 3.17Å; V210-L223 WeakPolarHBondContact O-CB 3.05Å; V210-L223 PolarHBondContact O-N 3.11Å; L223-V225 HydrophobicContact CD1-CG2 4.41Å; L223-V225 HydrophobicContact CD2-CG2 3.83Å; L223-V225 HydrophobicContact CG-CG2 3.77Å
224Y95.8Very high93.5Very high79 Ų7945.7 Ų45.731%0.3127%0.268SS..EExtended strand (participates in β ladder)trans-100.9103.8175.4-61.6-90.3000109.4Q125 V126 Q127 I128 V209 A222Q125-Y224 HydrophobicContact CG-CD2 4.05Å; Q125-Y224 HydrophobicContact CG-CE2 3.58Å; V126-Y224 PolarHBondContact O-N 3.48Å; Q127-Y224 CarbonylContact C-O 3.34Å; Q127-Y224 WeakPolarHBondContact CA-O 3.4Å; I128-Y224 PolarHBondContact N-O 2.79Å; V209-Y224 HydrophobicContact CG1-CE1 4.34Å; V209-Y224 HydrophobicContact CG2-CD1 3.88Å; V209-Y224 HydrophobicContact CG2-CE1 4.02Å; A222-Y224 HydrophobicContact CB-CE2 3.85Å
225V95Very high93.4Very high0 Ų050.1 Ų50.10%029%0.287CS..EExtended strand (participates in β ladder)trans-98.1106.9178.2-1730000109.3I128 M130 V164 V197 G207 A208 L223 P227I128-V225 CarbonylContact O-C 3.49Å; M130-V225 HydrophobicContact CG-CG1 4.1Å; M130-V225 HydrophobicContact SD-CG1 3.8Å; V164-V225 HydrophobicContact CG2-CB 4.37Å; V164-V225 HydrophobicContact CG2-CG1 4.17Å; V197-V225 HydrophobicContact CG1-CG2 4.1Å; G207-V225 CarbonylContact C-O 3.51Å; G207-V225 VanDerWaalsContact CA-O 3.31Å; G207-V225 WeakPolarHBondContact CA-O 3.46Å; A208-V225 HydrophobicContact CB-CB 4.27Å; A208-V225 PolarHBondContact N-O 3.31Å; A208-V225 PolarHBondContact O-N 3.17Å; L223-V225 HydrophobicContact CD1-CG2 4.41Å; L223-V225 HydrophobicContact CD2-CG2 3.83Å; L223-V225 HydrophobicContact CG-CG2 3.77Å; V225-P227 WeakPolarHBondContact O-CD 3.03Å
226N94.3Very high93.5Very high56 Ų5654.9 Ų54.930%0.29930%0.303SS..EExtended strand (participates in β ladder)trans-98107.8178.9-65.8-29.3000109.6Q127 I128 A129 M130Q127-N226 PolarHBondContact NE2-ND2 2.88Å; I128-N226 PolarHBondContact O-N 3.09Å; A129-N226 VanDerWaalsContact CA-O 3.27Å; A129-N226 WeakPolarHBondContact CA-O 3.35Å; M130-N226 PolarHBondContact N-O 3.43Å
227P93.7Very high93.9Very high28 Ų2858 Ų5818%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-75.8134.3-177.634.1-37.7000110.9M130 L199 A204 V225 C229M130-P227 WeakPolarHBondContact O-CA 3.48Å; L199-P227 HydrophobicContact CD1-CB 4.31Å; L199-P227 HydrophobicContact CD2-CB 3.47Å; L199-P227 VanDerWaalsContact CD2-CB 3.47Å; A204-P227 WeakPolarHBondContact O-CG 3.05Å; V225-P227 WeakPolarHBondContact O-CD 3.03Å; P227-C229 VanDerWaalsContact CB-SG 3.58Å; P227-C229 PolarHBondContact O-N 3.23Å
228I94.3Very high94.2Very high30 Ų3060.6 Ų60.615%0.15431%0.306CS..  trans-92.499176-56.5172000107.9I54 P92 A129 M130 K131I54-I228 HydrophobicContact CD1-CG2 4.07Å; P92-I228 HydrophobicContact CB-CD1 4.41Å; P92-I228 HydrophobicContact CB-CG2 3.76Å; P92-I228 HydrophobicContact CG-CG2 3.67Å; A129-I228 HydrophobicContact CB-CD1 4.09Å; A129-I228 HydrophobicContact CB-CG1 4.29Å; M130-I228 PolarHBondContact O-N 3.25Å; K131-I228 HydrophobicContact CG-CB 4.01Å; K131-I228 HydrophobicContact CG-CG2 4.22Å
229C92.2Very high94.6Very high38 Ų3851.3 Ų51.326%0.25727%0.273SS..  trans-116.52.6-168.1-600000114.6K55 C202 P227K55-C229 WeakPolarHBondContact CE-O 3.17Å; K55-C229 PolarHBondContact NZ-O 3.18Å; C202-C229 HydrophobicContact CB-CB 3.82Å; C202-C229 WeakPolarHBondContact CB-SG 3.07Å; C202-C229 VanDerWaalsContact SG-CA 3.52Å; C202-C229 WeakPolarHBondContact SG-CB 2.94Å; C202-C229 CovalentContact SG-SG 2.02Å; C202-C229 PolarHBondContact SG-SG 2.84Å; P227-C229 VanDerWaalsContact CB-SG 3.58Å; P227-C229 PolarHBondContact O-N 3.23Å
230G93.3Very high94.9Very high32 Ų3253.6 Ų53.633%0.3329%0.289SS..SBendtrans-160168-179.600000109.4E234G230-E234 WeakPolarHBondContact CA-OE2 3.49Å
231C95.8Very high95Very high7 Ų754.7 Ų54.75%0.04730%0.296CS..  trans-98.3155.2177.7-53.80000111.1C50 C233 E234C50-C231 HydrophobicContact CB-CB 3.76Å; C50-C231 WeakPolarHBondContact CB-SG 3.46Å; C50-C231 WeakPolarHBondContact SG-CB 3.47Å; C50-C231 CovalentContact SG-SG 2.02Å; C50-C231 PolarHBondContact SG-SG 3.08Å; C231-C233 VanDerWaalsContact C-N 3.27Å; C231-C233 PolarHBondContact O-N 3.41Å; C231-E234 HydrophobicContact CB-CG 4.25Å; C231-E234 PolarHBondContact N-OE2 2.81Å; C231-E234 VanDerWaalsContact N-OE2 3.14Å; C231-E234 WeakPolarHBondContact O-CB 3.35Å; C231-E234 PolarHBondContact O-N 2.67Å; C231-E234 VanDerWaalsContact O-N 3.08Å
232D94.5Very high94.9Very high96 Ų9660.4 Ų60.451%0.51332%0.324SS..G310 helixtrans-63.4-36.3177.8-77.4-31.5000111.3E234 K235 N238D232-E234 PolarHBondContact O-N 2.79Å; D232-E234 VanDerWaalsContact O-N 3.17Å; D232-K235 WeakPolarHBondContact O-CB 3.39Å; D232-K235 WeakPolarHBondContact O-CG 3.03Å; D232-K235 PolarHBondContact O-N 3.38Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-K235 WeakPolarHBondContact OD1-CE 3.2Å; D232-K235 IonicContact OD1-NZ 2.64Å; D232-K235 PolarHBondContact OD1-NZ 3.33Å; D232-N238 PolarHBondContact O-ND2 3.41Å
233C95.9Very high94.9Very high14 Ų1459.4 Ų59.410%0.09532%0.315CS..G310 helixtrans-63.6-15.3174.364.20000114.8E90 C231 C254E90-C233 VanDerWaalsContact CD-SG 3.58Å; E90-C233 WeakPolarHBondContact OE1-CB 3.37Å; E90-C233 PolarHBondContact OE1-SG 2.76Å; C231-C233 VanDerWaalsContact C-N 3.27Å; C231-C233 PolarHBondContact O-N 3.41Å; C233-C254 HydrophobicContact CB-CB 3.96Å; C233-C254 WeakPolarHBondContact CB-SG 3.05Å; C233-C254 PolarHBondContact O-SG 3.1Å; C233-C254 WeakPolarHBondContact SG-CB 3.38Å; C233-C254 CovalentContact SG-SG 2.02Å; C233-C254 PolarHBondContact SG-SG 3.05Å
234E95.5Very high94.9Very high44 Ų4464.9 Ų64.921%0.20635%0.351CS..G310 helixtrans-85.2-13176.6-66.6-177.5136.300112.1S49 C50 G51 G230 C231 D232 Q239 V253 C254S49-E234 WeakPolarHBondContact CB-OE1 3.29Å; S49-E234 PolarHBondContact OG-OE1 2.86Å; C50-E234 HydrophobicContact CB-CG 4.07Å; C50-E234 PolarHBondContact N-OE1 3.24Å; G51-E234 WeakPolarHBondContact CA-OE2 3.32Å; G51-E234 PolarHBondContact N-OE1 2.8Å; G51-E234 PolarHBondContact N-OE2 3.12Å; G230-E234 WeakPolarHBondContact CA-OE2 3.49Å; C231-E234 HydrophobicContact CB-CG 4.25Å; C231-E234 PolarHBondContact N-OE2 2.81Å; C231-E234 VanDerWaalsContact N-OE2 3.14Å; C231-E234 WeakPolarHBondContact O-CB 3.35Å; C231-E234 PolarHBondContact O-N 2.67Å; C231-E234 VanDerWaalsContact O-N 3.08Å; D232-E234 PolarHBondContact O-N 2.79Å; D232-E234 VanDerWaalsContact O-N 3.17Å; E234-Q239 PolarHBondContact O-NE2 3.32Å; E234-V253 HydrophobicContact CG-CG1 4.42Å; E234-C254 WeakPolarHBondContact CG-SG 3.42Å; E234-C254 PolarHBondContact N-SG 3.21Å
235K94.9Very high94.8Very high100 Ų10064.5 Ų64.544%0.43535%0.352SS..SBendtrans-62.2140177.4-65.6176.5-178165.90110.1D232 E237 N238 Q239D232-K235 WeakPolarHBondContact O-CB 3.39Å; D232-K235 WeakPolarHBondContact O-CG 3.03Å; D232-K235 PolarHBondContact O-N 3.38Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-K235 WeakPolarHBondContact OD1-CE 3.2Å; D232-K235 IonicContact OD1-NZ 2.64Å; D232-K235 PolarHBondContact OD1-NZ 3.33Å; K235-E237 HydrophobicContact CB-CG 4.07Å; K235-E237 PolarHBondContact O-N 3.23Å; K235-E237 VanDerWaalsContact O-N 3.09Å; K235-N238 PolarHBondContact O-N 3.41Å; K235-Q239 PolarHBondContact O-N 3.33Å
236L93.9Very high94.7Very high139 Ų13964.5 Ų64.573%0.72835%0.352SS*.G310 helixtrans-53.6-35.6-174.9-175.763.6000113.3N238 Q239L236-N238 PolarHBondContact O-N 2.79Å; L236-Q239 PolarHBondContact O-N 3.29Å
237E94.9Very high94.6Very high154 Ų15464.1 Ų64.172%0.7236%0.361SS*.G310 helixtrans-64.5-23.7177.264.9-168.9173.300114.3K235K235-E237 HydrophobicContact CB-CG 4.07Å; K235-E237 PolarHBondContact O-N 3.23Å; K235-E237 VanDerWaalsContact O-N 3.09Å
238N95.1Very high94.7Very high87 Ų8764 Ų6447%0.46537%0.365SS..G310 helixtrans-98.4-0.9180-65.8-35.9000112.8D232 K235 L236D232-N238 PolarHBondContact O-ND2 3.41Å; K235-N238 PolarHBondContact O-N 3.41Å; L236-N238 PolarHBondContact O-N 2.79Å
239Q95Very high94.7Very high52 Ų5267.4 Ų67.424%0.24338%0.376CS..  trans-88143.1178.1-58.8-176.916.900110.5E234 K235 L236 V253E234-Q239 PolarHBondContact O-NE2 3.32Å; K235-Q239 PolarHBondContact O-N 3.33Å; L236-Q239 PolarHBondContact O-N 3.29Å; Q239-V253 HydrophobicContact CB-CG2 4.27Å; Q239-V253 HydrophobicContact CG-CB 4.39Å; Q239-V253 HydrophobicContact CG-CG1 4.09Å; Q239-V253 HydrophobicContact CG-CG2 3.81Å
240V96.2Very high94.7Very high71 Ų7165.6 Ų65.643%0.4336%0.364SS..BIsolated β-bridgetrans-102.6105.9172.4-173.50000108.6N251 L252V240-N251 CarbonylContact O-C 3.49Å; V240-N251 WeakPolarHBondContact O-CA 3.34Å; V240-L252 HydrophobicContact CB-CB 4.18Å; V240-L252 PolarHBondContact N-O 3.1Å; V240-L252 PolarHBondContact O-N 3.1Å
241T95.9Very high94.9Very high97 Ų9766 Ų6660%0.59536%0.359SS*.THydrogen-bonded Turntrans-70.8140.2178.553.80000111S243 N251T241-S243 PolarHBondContact O-N 2.58Å; T241-N251 VanDerWaalsContact CA-OD1 3.29Å; T241-N251 WeakPolarHBondContact CA-OD1 3.16Å
242M94.9Very high94.9Very high121 Ų12166.6 Ų66.660%0.59636%0.361SS*.THydrogen-bonded Turntrans46.547.5-176.9-65.4-174.359.700112.9G248 G250 N251M242-G248 WeakPolarHBondContact CE-O 3.45Å; M242-G250 CarbonylContact C-O 3.56Å; M242-G250 WeakPolarHBondContact CA-O 3.36Å; M242-G250 PolarHBondContact N-O 3.34Å; M242-N251 PolarHBondContact N-OD1 2.87Å
243S95.9Very high95Very high2 Ų262.7 Ų62.71%0.01434%0.341CS..  trans-61.4135.3-172.5177.50000111.4T241 Q245 C246 G247 G248 G250T241-S243 PolarHBondContact O-N 2.58Å; S243-Q245 PolarHBondContact O-N 3.38Å; S243-Q245 PolarHBondContact OG-N 3.14Å; S243-C246 CarbonylContact O-C 3.5Å; S243-C246 WeakPolarHBondContact O-CA 3.45Å; S243-C246 PolarHBondContact O-N 2.98Å; S243-G247 PolarHBondContact O-N 3.23Å; S243-G248 WeakPolarHBondContact O-CA 3.45Å; S243-G248 PolarHBondContact O-N 3.27Å; S243-G250 PolarHBondContact N-O 2.93Å
244P95.2Very high95Very high116 Ų11662.5 Ų62.575%0.75334%0.339SS*.G310 helixtrans-56.1-30.6169.5-25.834.9000113.3C246 G247P244-C246 PolarHBondContact O-N 3.03Å; P244-G247 PolarHBondContact O-N 3.27Å; P244-G247 VanDerWaalsContact O-N 3.09Å
245Q93.5Very high95Very high70 Ų7060.7 Ų60.733%0.32733%0.333SS..G310 helixtrans-68.4-21.3175.1-67.2179.2-64.400112.5N67 S243 R267N67-Q245 PolarHBondContact OD1-NE2 3.14Å; S243-Q245 PolarHBondContact O-N 3.38Å; S243-Q245 PolarHBondContact OG-N 3.14Å; Q245-R267 WeakPolarHBondContact O-CB 3.23Å
246C94.8Very high94.9Very high0 Ų057.3 Ų57.30%032%0.323CS..G310 helixtrans-101.430.4172.6-53.70000111.4S243 P244 G248 R249 C257 R267 C268S243-C246 CarbonylContact O-C 3.5Å; S243-C246 WeakPolarHBondContact O-CA 3.45Å; S243-C246 PolarHBondContact O-N 2.98Å; P244-C246 PolarHBondContact O-N 3.03Å; C246-G248 PolarHBondContact O-N 3.09Å; C246-R249 PolarHBondContact O-N 2.85Å; C246-C257 WeakPolarHBondContact CA-SG 3.2Å; C246-C257 HydrophobicContact CB-CB 3.79Å; C246-C257 WeakPolarHBondContact CB-SG 3.43Å; C246-C257 VanDerWaalsContact SG-CA 3.54Å; C246-C257 WeakPolarHBondContact SG-CB 3.42Å; C246-C257 CovalentContact SG-SG 2.04Å; C246-C257 PolarHBondContact SG-SG 3.17Å; C246-R267 CarbonylContact C-O 3.49Å; C246-R267 VanDerWaalsContact CA-O 3.24Å; C246-R267 WeakPolarHBondContact CA-O 3.46Å; C246-C268 WeakPolarHBondContact O-CB 3.38Å
247G92.1Very high94.9Very high48 Ų4852 Ų5250%0.49530%0.298SS..THydrogen-bonded Turntrans61.915.5178.900000114.8S243 P244 R249 R267S243-G247 PolarHBondContact O-N 3.23Å; P244-G247 PolarHBondContact O-N 3.27Å; P244-G247 VanDerWaalsContact O-N 3.09Å; G247-R249 PolarHBondContact O-N 2.85Å; G247-R267 PolarHBondContact N-O 3.47Å
248G94.8Very high94.8Very high26 Ų2649.5 Ų49.527%0.26829%0.288SS..THydrogen-bonded Turntrans68.913.9-170.200000113.9M242 S243 C246M242-G248 WeakPolarHBondContact CE-O 3.45Å; S243-G248 WeakPolarHBondContact O-CA 3.45Å; S243-G248 PolarHBondContact O-N 3.27Å; C246-G248 PolarHBondContact O-N 3.09Å
249R93.6Very high94.7Very high101 Ų10147 Ų4738%0.38128%0.277SS..SBendtrans-12419.7-172.4-66.3174.7-179.8172.6-8113.1C246 G247 N260 C268 N271C246-R249 PolarHBondContact O-N 2.85Å; G247-R249 PolarHBondContact O-N 2.85Å; R249-N260 WeakPolarHBondContact O-CB 3.4Å; R249-N260 PolarHBondContact O-N 3.39Å; R249-C268 HydrophobicContact CB-CB 4.02Å; R249-N271 VanDerWaalsContact CZ-OD1 3.24Å; R249-N271 PolarHBondContact NH1-OD1 2.94Å; R249-N271 PolarHBondContact NH2-OD1 3.32Å
250G93.8Very high94.5Very high0 Ų047.5 Ų47.50%028%0.281CS..EExtended strand (participates in β ladder)trans-169.5170.6176.900000111.4M242 S243 I258M242-G250 CarbonylContact C-O 3.56Å; M242-G250 WeakPolarHBondContact CA-O 3.36Å; M242-G250 PolarHBondContact N-O 3.34Å; S243-G250 PolarHBondContact N-O 2.93Å; G250-I258 CarbonylContact C-O 3.43Å; G250-I258 WeakPolarHBondContact CA-O 3.25Å
251N95.9Very high94.1Very high42 Ų4250.3 Ų50.323%0.22530%0.301CS..EExtended strand (participates in β ladder)trans-97.7138.4176-59.2-22.8000109V240 T241 M242 V253 C257 I258V240-N251 CarbonylContact O-C 3.49Å; V240-N251 WeakPolarHBondContact O-CA 3.34Å; T241-N251 VanDerWaalsContact CA-OD1 3.29Å; T241-N251 WeakPolarHBondContact CA-OD1 3.16Å; M242-N251 PolarHBondContact N-OD1 2.87Å; N251-V253 HydrophobicContact CB-CG2 4.34Å; N251-C257 WeakPolarHBondContact O-CA 3.44Å; N251-I258 PolarHBondContact N-O 3.08Å; N251-I258 PolarHBondContact O-N 3.45Å
252L96.3Very high93.5Very high18 Ų1846.9 Ų46.99%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-88.3119.8172.1-174.476.1000108.9P66 V240P66-L252 HydrophobicContact CB-CD1 4.09Å; P66-L252 HydrophobicContact CB-CD2 4.05Å; V240-L252 HydrophobicContact CB-CB 4.18Å; V240-L252 PolarHBondContact N-O 3.1Å; V240-L252 PolarHBondContact O-N 3.1Å
253V96.9Very high93.1Very high15 Ų1542.3 Ų42.39%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-132.2117.9-178.3-174.20000108.6E234 Q239 N251 G255 A256 I258E234-V253 HydrophobicContact CG-CG1 4.42Å; Q239-V253 HydrophobicContact CB-CG2 4.27Å; Q239-V253 HydrophobicContact CG-CB 4.39Å; Q239-V253 HydrophobicContact CG-CG1 4.09Å; Q239-V253 HydrophobicContact CG-CG2 3.81Å; N251-V253 HydrophobicContact CB-CG2 4.34Å; V253-G255 VanDerWaalsContact C-N 3.27Å; V253-G255 PolarHBondContact O-N 3.38Å; V253-A256 PolarHBondContact N-O 3.22Å; V253-A256 PolarHBondContact O-N 2.88Å; V253-A256 VanDerWaalsContact O-O 3.11Å; V253-I258 HydrophobicContact CB-CD1 3.95Å; V253-I258 HydrophobicContact CB-CG1 4.34Å; V253-I258 HydrophobicContact CG1-CD1 4.46Å; V253-I258 HydrophobicContact CG2-CD1 3.59Å; V253-I258 HydrophobicContact CG2-CG1 4.08Å
254C96.5Very high92.5Very high9 Ų942.7 Ų42.76%0.06127%0.269CS..THydrogen-bonded Turntrans46.547.3-175.9-60.30000113.6C50 W62 S64 C233 E234 A256C50-C254 HydrophobicContact CB-CB 4.11Å; W62-C254 PolarHBondContact NE1-O 2.84Å; S64-C254 WeakPolarHBondContact CA-O 3.37Å; C233-C254 HydrophobicContact CB-CB 3.96Å; C233-C254 WeakPolarHBondContact CB-SG 3.05Å; C233-C254 PolarHBondContact O-SG 3.1Å; C233-C254 WeakPolarHBondContact SG-CB 3.38Å; C233-C254 CovalentContact SG-SG 2.02Å; C233-C254 PolarHBondContact SG-SG 3.05Å; E234-C254 WeakPolarHBondContact CG-SG 3.42Å; E234-C254 PolarHBondContact N-SG 3.21Å; C254-A256 PolarHBondContact O-N 3.4Å; C254-A256 VanDerWaalsContact O-N 3.14Å
255G95Very high91.8Very high7 Ų738.8 Ų38.87%0.07225%0.249CC..THydrogen-bonded Turntrans75.1-7.3179.700000115.7S64 R73 V253S64-G255 WeakPolarHBondContact O-CA 3.46Å; S64-G255 PolarHBondContact O-N 2.83Å; R73-G255 PolarHBondContact NH1-O 2.87Å; R73-G255 PolarHBondContact NH2-O 2.79Å; V253-G255 VanDerWaalsContact C-N 3.27Å; V253-G255 PolarHBondContact O-N 3.38Å
256A93.8Very high91.3Very high28 Ų2839.9 Ų39.923%0.23126%0.264CS..EExtended strand (participates in β ladder)trans-105.8145.1177.500000111.6W62 V253 C254W62-A256 HydrophobicContact CZ2-CB 4.2Å; V253-A256 PolarHBondContact N-O 3.22Å; V253-A256 PolarHBondContact O-N 2.88Å; V253-A256 VanDerWaalsContact O-O 3.11Å; C254-A256 PolarHBondContact O-N 3.4Å; C254-A256 VanDerWaalsContact O-N 3.14Å
257C93.1Very high91.1Very high29 Ų2946 Ų4620%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-86.5127.8176.4-70.30000111.7C246 N251 S266C246-C257 WeakPolarHBondContact CA-SG 3.2Å; C246-C257 HydrophobicContact CB-CB 3.79Å; C246-C257 WeakPolarHBondContact CB-SG 3.43Å; C246-C257 VanDerWaalsContact SG-CA 3.54Å; C246-C257 WeakPolarHBondContact SG-CB 3.42Å; C246-C257 CovalentContact SG-SG 2.04Å; C246-C257 PolarHBondContact SG-SG 3.17Å; N251-C257 WeakPolarHBondContact O-CA 3.44Å; C257-S266 WeakPolarHBondContact CB-O 3.34Å
258I93.4Very high91Very high101 Ų10143.7 Ų43.752%0.51826%0.264SS..EExtended strand (participates in β ladder)trans-99101.1166.2-55.4-177.1000107.2G250 N251 V253G250-I258 CarbonylContact C-O 3.43Å; G250-I258 WeakPolarHBondContact CA-O 3.25Å; N251-I258 PolarHBondContact N-O 3.08Å; N251-I258 PolarHBondContact O-N 3.45Å; V253-I258 HydrophobicContact CB-CD1 3.95Å; V253-I258 HydrophobicContact CB-CG1 4.34Å; V253-I258 HydrophobicContact CG1-CD1 4.46Å; V253-I258 HydrophobicContact CG2-CD1 3.59Å; V253-I258 HydrophobicContact CG2-CG1 4.08Å
259C91.6Very high90.7Very high35 Ų3546 Ų4624%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-73.7142.7-174.7-56.50000112.9S263 C268C259-S263 VanDerWaalsContact CB-O 3.29Å; C259-S263 WeakPolarHBondContact CB-O 3.34Å; C259-C268 WeakPolarHBondContact CA-SG 3.03Å; C259-C268 HydrophobicContact CB-CB 3.81Å; C259-C268 WeakPolarHBondContact CB-SG 3.02Å; C259-C268 WeakPolarHBondContact SG-CA 3.39Å; C259-C268 WeakPolarHBondContact SG-CB 3.39Å; C259-C268 CovalentContact SG-SG 2.04Å; C259-C268 PolarHBondContact SG-SG 3.36Å
260N91.5Very high90.4Very high61 Ų6141.4 Ų41.433%0.32625%0.251SS..PPolyproline II helixtrans-65.8155.2172.4-69.2-24.6000110.3R249 G262 S263R249-N260 WeakPolarHBondContact O-CB 3.4Å; R249-N260 PolarHBondContact O-N 3.39Å; N260-G262 PolarHBondContact O-N 2.59Å; N260-S263 PolarHBondContact O-N 3.19Å
261P87.1Confident89.9Confident131 Ų13147.1 Ų47.185%0.85128%0.282SS*.THydrogen-bonded Turntrans-49.3127.3173.1-27.835.4000111.6
262G83.2Confident89Confident25 Ų2546.1 Ų46.126%0.25828%0.277SS..THydrogen-bonded Turntrans86.99.2-177.900000115.7N260 V272N260-G262 PolarHBondContact O-N 2.59Å; G262-V272 CarbonylContact C-O 3.4Å; G262-V272 VanDerWaalsContact C-O 3.26Å; G262-V272 WeakPolarHBondContact CA-O 2.98Å; G262-V272 CarbonylContact O-C 3.58Å; G262-V272 PolarHBondContact O-N 2.81Å
263S87.3Confident87.6Confident24 Ų2449.4 Ų49.417%0.16831%0.307CS..EExtended strand (participates in β ladder)trans-124.1146.4167.7-59.70000110.5C259 N260 C270C259-S263 VanDerWaalsContact CB-O 3.29Å; C259-S263 WeakPolarHBondContact CB-O 3.34Å; N260-S263 PolarHBondContact O-N 3.19Å; S263-C270 CarbonylContact C-O 3.6Å; S263-C270 VanDerWaalsContact CA-O 3.29Å; S263-C270 WeakPolarHBondContact CA-O 3.06Å
264A83.2Confident85.6Confident11 Ų1154.4 Ų54.49%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-145.8178.5179.100000111.1C268 E269 C270 V272 L282A264-C268 CarbonylContact O-C 3.49Å; A264-C268 VanDerWaalsContact O-C 3.26Å; A264-C268 WeakPolarHBondContact O-CA 3.49Å; A264-E269 PolarHBondContact O-N 3.25Å; A264-C270 HydrophobicContact CB-CB 4.24Å; A264-C270 PolarHBondContact N-O 2.85Å; A264-C270 VanDerWaalsContact O-CB 3.28Å; A264-C270 WeakPolarHBondContact O-CB 3.36Å; A264-C270 PolarHBondContact O-N 2.8Å; A264-V272 HydrophobicContact CB-CG2 3.55Å; A264-L282 HydrophobicContact CB-CD2 4.4Å
265G80Confident83.5Confident33 Ų3357.4 Ų57.434%0.3438%0.375SS..SBendtrans96.7169.9-173.900000112.1R267 C268 E269G265-R267 PolarHBondContact O-N 3.3Å; G265-C268 PolarHBondContact O-N 3.42Å; G265-E269 WeakPolarHBondContact CA-OE2 3.45Å
266S84.4Confident81.4Confident93 Ų9362.6 Ų62.665%0.6541%0.405SS*.THydrogen-bonded Turntrans-67.1-22.3-176.564.70000113.2C257 E269C257-S266 WeakPolarHBondContact CB-O 3.34Å; S266-E269 PolarHBondContact N-OE2 2.81Å
267R89.9Confident79.6Confident128 Ų12864.7 Ų64.748%0.48341%0.411SS..THydrogen-bonded Turntrans-128.220.3-178.6-62.3-174.1-178.1-151.9-1.7111.9Q245 C246 G247 G265 E269Q245-R267 WeakPolarHBondContact O-CB 3.23Å; C246-R267 CarbonylContact C-O 3.49Å; C246-R267 VanDerWaalsContact CA-O 3.24Å; C246-R267 WeakPolarHBondContact CA-O 3.46Å; G247-R267 PolarHBondContact N-O 3.47Å; G265-R267 PolarHBondContact O-N 3.3Å; R267-E269 WeakPolarHBondContact CA-OE2 3.45Å; R267-E269 WeakPolarHBondContact CB-OE2 3.27Å; R267-E269 PolarHBondContact N-OE2 3.08Å; R267-E269 PolarHBondContact O-N 3.16Å
268C90.3Very high78.2Confident0 Ų066.4 Ų66.40%042%0.424CS..SBendtrans55.930-177.7-45.10000114C246 R249 C259 A264 G265C246-C268 WeakPolarHBondContact O-CB 3.38Å; R249-C268 HydrophobicContact CB-CB 4.02Å; C259-C268 WeakPolarHBondContact CA-SG 3.03Å; C259-C268 HydrophobicContact CB-CB 3.81Å; C259-C268 WeakPolarHBondContact CB-SG 3.02Å; C259-C268 WeakPolarHBondContact SG-CA 3.39Å; C259-C268 WeakPolarHBondContact SG-CB 3.39Å; C259-C268 CovalentContact SG-SG 2.04Å; C259-C268 PolarHBondContact SG-SG 3.36Å; A264-C268 CarbonylContact O-C 3.49Å; A264-C268 VanDerWaalsContact O-C 3.26Å; A264-C268 WeakPolarHBondContact O-CA 3.49Å; G265-C268 PolarHBondContact O-N 3.42Å
269E88.4Confident77Confident75 Ų7566.5 Ų66.535%0.3543%0.429SS..  trans-75.6-23.8-177.267.1-84.2-155.400112.8A264 G265 S266 R267A264-E269 PolarHBondContact O-N 3.25Å; G265-E269 WeakPolarHBondContact CA-OE2 3.45Å; S266-E269 PolarHBondContact N-OE2 2.81Å; R267-E269 WeakPolarHBondContact CA-OE2 3.45Å; R267-E269 WeakPolarHBondContact CB-OE2 3.27Å; R267-E269 PolarHBondContact N-OE2 3.08Å; R267-E269 PolarHBondContact O-N 3.16Å
270C86Confident76.1Confident5 Ų567.4 Ų67.43%0.03444%0.439CS..EExtended strand (participates in β ladder)trans-88.1127.5-177.4-47.70000111S263 A264 L282 C303S263-C270 CarbonylContact C-O 3.6Å; S263-C270 VanDerWaalsContact CA-O 3.29Å; S263-C270 WeakPolarHBondContact CA-O 3.06Å; A264-C270 HydrophobicContact CB-CB 4.24Å; A264-C270 PolarHBondContact N-O 2.85Å; A264-C270 VanDerWaalsContact O-CB 3.28Å; A264-C270 WeakPolarHBondContact O-CB 3.36Å; A264-C270 PolarHBondContact O-N 2.8Å; C270-L282 HydrophobicContact CB-CD2 4.36Å; C270-C303 WeakPolarHBondContact CA-SG 2.97Å; C270-C303 HydrophobicContact CB-CB 3.82Å; C270-C303 WeakPolarHBondContact CB-SG 3.38Å; C270-C303 WeakPolarHBondContact SG-CA 3.26Å; C270-C303 WeakPolarHBondContact SG-CB 3.41Å; C270-C303 PolarHBondContact SG-N 3.08Å; C270-C303 CovalentContact SG-SG 2.04Å; C270-C303 PolarHBondContact SG-SG 3.12Å
271N84.6Confident75.4Confident119 Ų11968.1 Ų68.164%0.63644%0.44SS*.EExtended strand (participates in β ladder)trans-80.9117.8168.8-66.7-45.4000109.4R249R249-N271 VanDerWaalsContact CZ-OD1 3.24Å; R249-N271 PolarHBondContact NH1-OD1 2.94Å; R249-N271 PolarHBondContact NH2-OD1 3.32Å
272V77.1Confident74.9Confident22 Ų2263 Ų6313%0.13341%0.405CS..  trans-112.396.3173179.90000106G262 A264 S274 M277G262-V272 CarbonylContact C-O 3.4Å; G262-V272 VanDerWaalsContact C-O 3.26Å; G262-V272 WeakPolarHBondContact CA-O 2.98Å; G262-V272 CarbonylContact O-C 3.58Å; G262-V272 PolarHBondContact O-N 2.81Å; A264-V272 HydrophobicContact CB-CG2 3.55Å; V272-S274 PolarHBondContact O-N 3.11Å; V272-M277 HydrophobicContact CG1-CB 3.98Å; V272-M277 WeakPolarHBondContact CG1-O 3.25Å
273A65.5Low74.8Confident86 Ų8665.2 Ų65.271%0.71141%0.411SS*.  trans-52.1134178.900000110.2G275A273-G275 PolarHBondContact O-N 3.19Å
274S55.6Low74.7Confident120 Ų12068.5 Ų68.584%0.83943%0.427SS*.THydrogen-bonded Turntrans-49.297.5-175.7-58.60000112V272V272-S274 PolarHBondContact O-N 3.11Å
275G52.8Low74.9Confident73 Ų7371.3 Ų71.375%0.75344%0.438SS*.THydrogen-bonded Turntrans149.7-16.3159.900000120A273A273-G275 PolarHBondContact O-N 3.19Å
276T50.2Low75.5Confident115 Ų11569.8 Ų69.871%0.70642%0.422SS*.SBendtrans-134.7-37.1-172.651.40000117.2S278T276-S278 PolarHBondContact O-N 3.09Å
277M55.6Low76Confident72 Ų7268.2 Ų68.236%0.35540%0.402SS..  trans-94.6110.2-169.6-37.7-159.786.600112.6V272 E281V272-M277 HydrophobicContact CG1-CB 3.98Å; V272-M277 WeakPolarHBondContact CG1-O 3.25Å; M277-E281 WeakPolarHBondContact CA-OE2 3.04Å; M277-E281 HydrophobicContact CB-CB 4.38Å; M277-E281 HydrophobicContact CE-CG 3.88Å; M277-E281 VanDerWaalsContact CE-OE1 3.23Å; M277-E281 WeakPolarHBondContact CE-OE1 3.48Å
278S65.4Low76.1Confident66 Ų6665 Ų6546%0.46240%0.399SS..  trans-72.6161.617065.50000111.3T276 A280 E281 L282T276-S278 PolarHBondContact O-N 3.09Å; S278-A280 PolarHBondContact O-N 2.04Å; S278-E281 WeakPolarHBondContact O-CA 3.28Å; S278-E281 WeakPolarHBondContact O-CB 3.04Å; S278-E281 PolarHBondContact O-N 3.15Å; S278-E281 PolarHBondContact OG-N 3.24Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; S278-L282 PolarHBondContact O-N 2.04Å; S278-L282 VanDerWaalsContact O-N 3.08Å
279V66.6Low76.2Confident102 Ų10267 Ų6762%0.61841%0.413SS*.Hα-helixtrans-52.4-36.9169.5176.70000110.8E281 L282 L283V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.02Å; V279-L282 PolarHBondContact O-N 2.8Å; V279-L283 HydrophobicContact CG1-CD1 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.02Å; V279-L283 PolarHBondContact O-N 2.9Å
280A74.3Confident76.1Confident54 Ų5469.2 Ų69.245%0.44643%0.434SS..Hα-helixtrans-64.6-36.7175.300000112.6S278 L283 N284S278-A280 PolarHBondContact O-N 2.04Å; A280-L283 PolarHBondContact O-N 2.88Å; A280-N284 WeakPolarHBondContact O-CB 3.27Å; A280-N284 PolarHBondContact O-N 3.07Å; A280-N284 PolarHBondContact O-ND2 3.25Å
281E75.6Confident76.2Confident76 Ų7673.8 Ų73.836%0.35547%0.466SS..Hα-helixtrans-69.7-37.3177.7-162.7170.8163.900112.1M277 S278 V279 N284 Q285M277-E281 WeakPolarHBondContact CA-OE2 3.04Å; M277-E281 HydrophobicContact CB-CB 4.38Å; M277-E281 HydrophobicContact CE-CG 3.88Å; M277-E281 VanDerWaalsContact CE-OE1 3.23Å; M277-E281 WeakPolarHBondContact CE-OE1 3.48Å; S278-E281 WeakPolarHBondContact O-CA 3.28Å; S278-E281 WeakPolarHBondContact O-CB 3.04Å; S278-E281 PolarHBondContact O-N 3.15Å; S278-E281 PolarHBondContact OG-N 3.24Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.02Å; E281-N284 PolarHBondContact O-N 3.34Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 2.76Å; E281-Q285 VanDerWaalsContact O-N 3.15Å
282L76.6Confident76.6Confident24 Ų2472.5 Ų72.513%0.12646%0.456CS..Hα-helixtrans-62.8-43.7172.8-163.766.8000111.5A264 C270 S278 V279 N284 Q285 G304A264-L282 HydrophobicContact CB-CD2 4.4Å; C270-L282 HydrophobicContact CB-CD2 4.36Å; S278-L282 PolarHBondContact O-N 2.04Å; S278-L282 VanDerWaalsContact O-N 3.08Å; V279-L282 PolarHBondContact O-N 2.8Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 2.8Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 3.29Å; L282-G304 VanDerWaalsContact CD1-N 3.3Å
283L80.7Confident77.3Confident72 Ų7277 Ų7738%0.37748%0.476SS..Hα-helixtrans-65.4-36.2174.6-73.2171.1000112.3V279 A280 Q285 C286 C301V279-L283 HydrophobicContact CG1-CD1 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.02Å; V279-L283 PolarHBondContact O-N 2.9Å; A280-L283 PolarHBondContact O-N 2.88Å; L283-Q285 VanDerWaalsContact C-N 3.26Å; L283-Q285 PolarHBondContact O-N 3.32Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.04Å; L283-C286 VanDerWaalsContact O-N 3.09Å; L283-C301 HydrophobicContact CD2-CB 4.18Å
284N85.2Confident78.5Confident92 Ų9274.2 Ų74.249%0.49245%0.45SS..Hα-helixtrans-66-28.2177.5-74.4-22.8000112.5A280 E281 L282 C286 R287A280-N284 WeakPolarHBondContact O-CB 3.27Å; A280-N284 PolarHBondContact O-N 3.07Å; A280-N284 PolarHBondContact O-ND2 3.25Å; E281-N284 PolarHBondContact O-N 3.34Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 2.8Å; N284-C286 PolarHBondContact O-N 3.44Å; N284-R287 PolarHBondContact O-N 2.9Å; N284-R287 VanDerWaalsContact O-N 3.15Å
285Q88.5Confident80.4Confident70 Ų7068.5 Ų68.533%0.32741%0.41SS..THydrogen-bonded Turntrans-66.1-20.4173.3-69172.431.400113.3E281 L282 L283 Y318E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 2.76Å; E281-Q285 VanDerWaalsContact O-N 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 3.29Å; L283-Q285 VanDerWaalsContact C-N 3.26Å; L283-Q285 PolarHBondContact O-N 3.32Å; Q285-Y318 VanDerWaalsContact O-CE1 3.32Å; Q285-Y318 WeakPolarHBondContact O-CE1 3.49Å
286C92.6Very high82.4Confident1 Ų166.6 Ų66.61%0.00739%0.385CS..THydrogen-bonded Turntrans-93.22.3176.4-66.60000113.2L283 N284 P294 C295 C301 Y318L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.04Å; L283-C286 VanDerWaalsContact O-N 3.09Å; N284-C286 PolarHBondContact O-N 3.44Å; C286-P294 HydrophobicContact CB-CB 4.12Å; C286-P294 CarbonylContact O-C 3.26Å; C286-P294 WeakPolarHBondContact O-CA 3.33Å; C286-C295 PolarHBondContact O-N 3.06Å; C286-C301 HydrophobicContact CB-CB 3.59Å; C286-C301 WeakPolarHBondContact CB-SG 2.99Å; C286-C301 WeakPolarHBondContact SG-CB 3.16Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å; C286-Y318 WeakPolarHBondContact O-CD1 3.1Å
287R94Very high84.5Confident61 Ų6163.9 Ų63.923%0.2338%0.38CS..  trans-99.4139.9175.4-64.3-178-179.8-109-2.5110.2N284 S289 E292 P294 Y318N284-R287 PolarHBondContact O-N 2.9Å; N284-R287 VanDerWaalsContact O-N 3.15Å; R287-S289 VanDerWaalsContact C-N 3.34Å; R287-S289 WeakPolarHBondContact CB-O 3.49Å; R287-E292 VanDerWaalsContact CD-O 3.25Å; R287-E292 WeakPolarHBondContact CD-O 3.22Å; R287-E292 WeakPolarHBondContact CG-O 3.26Å; R287-E292 PolarHBondContact NH1-O 2.81Å; R287-P294 HydrophobicContact CG-CB 4.4Å; R287-P294 HydrophobicContact CG-CG 4.07Å; R287-Y318 VanDerWaalsContact C-CE1 3.49Å; R287-Y318 WeakPolarHBondContact O-CE1 3.32Å
288S93Very high86.3Confident60 Ų6064.4 Ų64.442%0.4238%0.378SS..SBendtrans-73.1-31170.358.70000111.7E292S288-E292 WeakPolarHBondContact OG-CB 3.01Å; S288-E292 WeakPolarHBondContact OG-CG 3.44Å
289S90.8Very high87.6Confident41 Ų4162 Ų6229%0.28737%0.365SS..SBendtrans-151.1164.1171.681.60000111.1R287 S291 E292R287-S289 VanDerWaalsContact C-N 3.34Å; R287-S289 WeakPolarHBondContact CB-O 3.49Å; S289-S291 PolarHBondContact O-N 3.48Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.03Å; S289-E292 PolarHBondContact O-N 3.08Å; S289-E292 WeakPolarHBondContact OG-CG 3.02Å
290P86.9Confident88.7Confident122 Ų12260.6 Ų60.679%0.79236%0.356SS*.THydrogen-bonded Turntrans-58.5-26.5-177.1-26.335.4000115.4
291S88.7Confident89.4Confident101 Ų10159.6 Ų59.671%0.70635%0.345SS*.THydrogen-bonded Turntrans-90-12.9178.853.40000114S289S289-S291 PolarHBondContact O-N 3.48Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.03Å
292E92.1Very high89.9Confident93 Ų9360.3 Ų60.344%0.43535%0.347SS..SBendtrans-88146-176.7-71.6-67.7157.800111.1R287 S288 S289R287-E292 VanDerWaalsContact CD-O 3.25Å; R287-E292 WeakPolarHBondContact CD-O 3.22Å; R287-E292 WeakPolarHBondContact CG-O 3.26Å; R287-E292 PolarHBondContact NH1-O 2.81Å; S288-E292 WeakPolarHBondContact OG-CB 3.01Å; S288-E292 WeakPolarHBondContact OG-CG 3.44Å; S289-E292 PolarHBondContact O-N 3.08Å; S289-E292 WeakPolarHBondContact OG-CG 3.02Å
293E92Very high90.3Very high117 Ų11761.9 Ų61.955%0.54736%0.36SS..PPolyproline II helixtrans-65146.1176.3-71.5-59.2146.500111.3C295 S296E293-C295 PolarHBondContact O-N 3.06Å; E293-S296 PolarHBondContact O-N 2.03Å; E293-S296 VanDerWaalsContact O-N 3.1Å
294P91.5Very high90.5Very high26 Ų2659 Ų5917%0.16935%0.347CS..G310 helixtrans-54.7136.4172.6-2234.1000110.4C286 R287 S296 G297C286-P294 HydrophobicContact CB-CB 4.12Å; C286-P294 CarbonylContact O-C 3.26Å; C286-P294 WeakPolarHBondContact O-CA 3.33Å; R287-P294 HydrophobicContact CG-CB 4.4Å; R287-P294 HydrophobicContact CG-CG 4.07Å; P294-S296 PolarHBondContact O-N 3.15Å; P294-S296 VanDerWaalsContact O-N 3.1Å; P294-G297 PolarHBondContact O-N 3.38Å; P294-G297 VanDerWaalsContact O-N 3.1Å
295C95Very high90.8Very high0 Ų057.5 Ų57.50%035%0.347CS..G310 helixtrans53.730.4-178.9-49.90000113.5C286 E293 G297 R298 C306 Y318 C319C286-C295 PolarHBondContact O-N 3.06Å; E293-C295 PolarHBondContact O-N 3.06Å; C295-G297 PolarHBondContact O-N 2.04Å; C295-R298 PolarHBondContact O-N 3.31Å; C295-C306 WeakPolarHBondContact CA-SG 3.29Å; C295-C306 HydrophobicContact CB-CB 3.7Å; C295-C306 WeakPolarHBondContact CB-SG 3.14Å; C295-C306 WeakPolarHBondContact SG-CA 2.99Å; C295-C306 WeakPolarHBondContact SG-CB 3.04Å; C295-C306 CovalentContact SG-SG 2.04Å; C295-C306 PolarHBondContact SG-SG 3.45Å; C295-Y318 CarbonylContact C-O 3.58Å; C295-Y318 WeakPolarHBondContact CA-O 3.14Å; C295-Y318 VanDerWaalsContact O-O 3.09Å; C295-C319 HydrophobicContact CB-CB 4.49Å
296S94.8Very high91Very high33 Ų3355.4 Ų55.423%0.23134%0.34CS..G310 helixtrans51.924.1-177.8-67.90000113.4E293 P294 R298 Y318 Q320E293-S296 PolarHBondContact O-N 2.03Å; E293-S296 VanDerWaalsContact O-N 3.1Å; P294-S296 PolarHBondContact O-N 3.15Å; P294-S296 VanDerWaalsContact O-N 3.1Å; S296-R298 PolarHBondContact O-N 3.15Å; S296-Y318 WeakPolarHBondContact CB-O 3.1Å; S296-Y318 PolarHBondContact N-O 3.28Å; S296-Y318 PolarHBondContact OG-O 3.09Å; S296-Q320 WeakPolarHBondContact OG-CB 3.48Å
297G93.6Very high91Very high59 Ų5960.3 Ų60.361%0.60836%0.363SS*.G310 helixtrans66.619.6-174.700000114.9P294 C295P294-G297 PolarHBondContact O-N 3.38Å; P294-G297 VanDerWaalsContact O-N 3.1Å; C295-G297 PolarHBondContact O-N 2.04Å
298R94.4Very high91.1Very high82 Ų8258.6 Ų58.631%0.30936%0.36SS..SBendtrans-127.424.5-174-63.8171.3179.2-168.3-1.2112.6C295 S296 C308 D309 Y314 C319C295-R298 PolarHBondContact O-N 3.31Å; S296-R298 PolarHBondContact O-N 3.15Å; R298-C308 WeakPolarHBondContact O-CA 3.39Å; R298-D309 PolarHBondContact O-N 3.38Å; R298-D309 VanDerWaalsContact O-N 3.09Å; R298-Y314 HydrophobicContact CB-CD2 4.08Å; R298-Y314 HydrophobicContact CB-CE2 4.36Å; R298-Y314 HydrophobicContact CB-CG 4.22Å; R298-Y314 HydrophobicContact CG-CD2 4.49Å; R298-Y314 HydrophobicContact CG-CE1 4.45Å; R298-Y314 HydrophobicContact CG-CE2 4.36Å; R298-C319 HydrophobicContact CB-CB 4.05Å; R298-C319 WeakPolarHBondContact CD-O 3Å
299G92.4Very high91.1Very high17 Ų1760.7 Ų60.718%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-177.6174-177.900000112.7E307 D309G299-E307 CarbonylContact C-O 3.6Å; G299-E307 WeakPolarHBondContact CA-O 3.32Å; G299-D309 WeakPolarHBondContact CA-OD1 3.47Å; G299-D309 PolarHBondContact N-OD2 3.27Å
300T90.6Very high91.1Very high72 Ų7260.5 Ų60.544%0.44237%0.365SS..EExtended strand (participates in β ladder)trans-105.4129.8178.8-60.40000110.6K302 E307T300-K302 HydrophobicContact CG2-CG 4.14Å; T300-K302 PolarHBondContact O-N 3.5Å; T300-E307 PolarHBondContact N-O 3.02Å; T300-E307 PolarHBondContact O-N 3.28Å
301C88Confident91.2Very high32 Ų3259.3 Ų59.322%0.21636%0.358CS..EExtended strand (participates in β ladder)trans-81.4105.6176.1-178.60000110.8L283 C286L283-C301 HydrophobicContact CD2-CB 4.18Å; C286-C301 HydrophobicContact CB-CB 3.59Å; C286-C301 WeakPolarHBondContact CB-SG 2.99Å; C286-C301 WeakPolarHBondContact SG-CB 3.16Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å
302K87.1Confident91.2Very high92 Ų9261.6 Ų61.640%0.436%0.357SS..EExtended strand (participates in β ladder)trans-110.9117.8176.2-63.9-170.6-171.3164.40110.1T300 G304 A305 E307T300-K302 HydrophobicContact CG2-CG 4.14Å; T300-K302 PolarHBondContact O-N 3.5Å; K302-G304 PolarHBondContact O-N 3.49Å; K302-G304 VanDerWaalsContact O-N 3.09Å; K302-A305 PolarHBondContact N-O 3.39Å; K302-A305 PolarHBondContact O-N 2.9Å; K302-A305 VanDerWaalsContact O-O 3.07Å; K302-E307 WeakPolarHBondContact CD-OE2 3.47Å; K302-E307 WeakPolarHBondContact CE-OE2 3.47Å; K302-E307 VanDerWaalsContact NZ-CD 3.27Å; K302-E307 IonicContact NZ-OE1 3.24Å; K302-E307 PolarHBondContact NZ-OE1 3.19Å; K302-E307 IonicContact NZ-OE2 2.66Å; K302-E307 PolarHBondContact NZ-OE2 3.31Å
303C83.4Confident91.2Very high57 Ų5760.4 Ų60.439%0.38535%0.351SS..THydrogen-bonded Turntrans50.236.1178.2-51.60000115.4C270 A305C270-C303 WeakPolarHBondContact CA-SG 2.97Å; C270-C303 HydrophobicContact CB-CB 3.82Å; C270-C303 WeakPolarHBondContact CB-SG 3.38Å; C270-C303 WeakPolarHBondContact SG-CA 3.26Å; C270-C303 WeakPolarHBondContact SG-CB 3.41Å; C270-C303 PolarHBondContact SG-N 3.08Å; C270-C303 CovalentContact SG-SG 2.04Å; C270-C303 PolarHBondContact SG-SG 3.12Å; C303-A305 VanDerWaalsContact C-N 3.34Å
304G85.4Confident91.3Very high11 Ų1156.8 Ų56.811%0.11333%0.332CS..THydrogen-bonded Turntrans84.95.7178.300000114.5L282 K302L282-G304 VanDerWaalsContact CD1-N 3.3Å; K302-G304 PolarHBondContact O-N 3.49Å; K302-G304 VanDerWaalsContact O-N 3.09Å
305A91.1Very high91.3Very high60 Ų6057.2 Ų57.250%0.49634%0.336SS..EExtended strand (participates in β ladder)trans-120.3144.2173.600000110.7K302 C303K302-A305 PolarHBondContact N-O 3.39Å; K302-A305 PolarHBondContact O-N 2.9Å; K302-A305 VanDerWaalsContact O-O 3.07Å; C303-A305 VanDerWaalsContact C-N 3.34Å
306C93.1Very high91.2Very high26 Ų2659 Ų5918%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-86.4133.1176.8-69.50000111.7C295 K317C295-C306 WeakPolarHBondContact CA-SG 3.29Å; C295-C306 HydrophobicContact CB-CB 3.7Å; C295-C306 WeakPolarHBondContact CB-SG 3.14Å; C295-C306 WeakPolarHBondContact SG-CA 2.99Å; C295-C306 WeakPolarHBondContact SG-CB 3.04Å; C295-C306 CovalentContact SG-SG 2.04Å; C295-C306 PolarHBondContact SG-SG 3.45Å; C306-K317 WeakPolarHBondContact CB-O 3.42Å
307E93.9Very high91.2Very high105 Ų10564.1 Ų64.149%0.49137%0.372SS..EExtended strand (participates in β ladder)trans-107.8112165.8-175.1176.5150.500107.7G299 T300 K302G299-E307 CarbonylContact C-O 3.6Å; G299-E307 WeakPolarHBondContact CA-O 3.32Å; T300-E307 PolarHBondContact N-O 3.02Å; T300-E307 PolarHBondContact O-N 3.28Å; K302-E307 WeakPolarHBondContact CD-OE2 3.47Å; K302-E307 WeakPolarHBondContact CE-OE2 3.47Å; K302-E307 VanDerWaalsContact NZ-CD 3.27Å; K302-E307 IonicContact NZ-OE1 3.24Å; K302-E307 PolarHBondContact NZ-OE1 3.19Å; K302-E307 IonicContact NZ-OE2 2.66Å; K302-E307 PolarHBondContact NZ-OE2 3.31Å
308C94.4Very high91.3Very high24 Ų2463.6 Ų63.616%0.16235%0.352CS..EExtended strand (participates in β ladder)trans-76.9139.1-173.1-49.10000111.4R298 S310 C319R298-C308 WeakPolarHBondContact O-CA 3.39Å; C308-S310 PolarHBondContact O-N 2.69Å; C308-C319 WeakPolarHBondContact CA-SG 3.5Å; C308-C319 HydrophobicContact CB-CB 3.85Å; C308-C319 WeakPolarHBondContact CB-SG 2.98Å; C308-C319 WeakPolarHBondContact SG-CA 3.37Å; C308-C319 WeakPolarHBondContact SG-CB 2.96Å; C308-C319 CovalentContact SG-SG 2.04Å; C308-C319 PolarHBondContact SG-SG 3.33Å
309D92.9Very high91.3Very high104 Ų10459.7 Ų59.756%0.55634%0.337SS*.SBendtrans-67.3-21.5-172.4-60.9-32000113.2R298 G299R298-D309 PolarHBondContact O-N 3.38Å; R298-D309 VanDerWaalsContact O-N 3.09Å; G299-D309 WeakPolarHBondContact CA-OD1 3.47Å; G299-D309 PolarHBondContact N-OD2 3.27Å
310S92.4Very high91.4Very high38 Ų3862.8 Ų62.827%0.26635%0.347SS..  trans-140.779.2179.1-54.60000108.4C308 E312 K313 Y314C308-S310 PolarHBondContact O-N 2.69Å; S310-E312 WeakPolarHBondContact CB-OE1 3.18Å; S310-E312 PolarHBondContact O-N 3.31Å; S310-E312 VanDerWaalsContact O-N 3.11Å; S310-K313 WeakPolarHBondContact O-CA 3.39Å; S310-K313 PolarHBondContact O-N 3.11Å; S310-Y314 PolarHBondContact O-N 2.66Å
311P89.4Confident91.6Very high97 Ų9759.7 Ų59.763%0.6333%0.329SS*.THydrogen-bonded Turntrans-62.8-17.1-172.125.6-34.7000114.1K313P311-K313 VanDerWaalsContact C-N 3.33Å
312E88.2Confident91.8Very high148 Ų14859.6 Ų59.669%0.69233%0.326SS*.THydrogen-bonded Turntrans-75.3-19.217068.2-75.5174.400114S310S310-E312 WeakPolarHBondContact CB-OE1 3.18Å; S310-E312 PolarHBondContact O-N 3.31Å; S310-E312 VanDerWaalsContact O-N 3.11Å
313K91Very high91.9Very high69 Ų6956.7 Ų56.730%0.332%0.315SS..THydrogen-bonded Turntrans-112.8-39.9-177.9-179.7176.7-175.2-164.30112.6S310 P311 D323 T324S310-K313 WeakPolarHBondContact O-CA 3.39Å; S310-K313 PolarHBondContact O-N 3.11Å; P311-K313 VanDerWaalsContact C-N 3.33Å; K313-D323 PolarHBondContact O-N 2.03Å; K313-T324 HydrophobicContact CB-CG2 4.26Å; K313-T324 HydrophobicContact CD-CG2 4.46Å; K313-T324 WeakPolarHBondContact CE-OG1 3.29Å; K313-T324 HydrophobicContact CG-CG2 3.79Å
314Y93.8Very high92.2Very high40 Ų4057.1 Ų57.116%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-116.7133-174.2-55.6-57.4000111.4R298 S310 C321 D322R298-Y314 HydrophobicContact CB-CD2 4.08Å; R298-Y314 HydrophobicContact CB-CE2 4.36Å; R298-Y314 HydrophobicContact CB-CG 4.22Å; R298-Y314 HydrophobicContact CG-CD2 4.49Å; R298-Y314 HydrophobicContact CG-CE1 4.45Å; R298-Y314 HydrophobicContact CG-CE2 4.36Å; S310-Y314 PolarHBondContact O-N 2.66Å; Y314-C321 VanDerWaalsContact CA-O 3.25Å; Y314-C321 WeakPolarHBondContact CA-O 3.16Å; Y314-D322 HydrophobicContact CD1-CB 4.39Å; Y314-D322 HydrophobicContact CE1-CB 4.39Å
315S92.8Very high92.3Very high36 Ų3660.3 Ų60.325%0.25234%0.336SS..EExtended strand (participates in β ladder)trans-140.2-175.9-178.672.30000112.3C319 Q320 C321 D323S315-C319 CarbonylContact O-C 3.25Å; S315-C319 VanDerWaalsContact O-C 3.29Å; S315-C319 VanDerWaalsContact O-CA 3.24Å; S315-C319 WeakPolarHBondContact O-CA 3.49Å; S315-Q320 PolarHBondContact O-N 3.24Å; S315-C321 PolarHBondContact N-O 3.2Å; S315-C321 VanDerWaalsContact N-O 3.15Å; S315-C321 VanDerWaalsContact O-CB 3.27Å; S315-C321 WeakPolarHBondContact O-CB 3.31Å; S315-C321 PolarHBondContact O-N 3.09Å; S315-C321 VanDerWaalsContact OG-CB 3.28Å; S315-C321 WeakPolarHBondContact OG-CB 2.99Å; S315-D323 WeakPolarHBondContact CB-OD2 3.16Å; S315-D323 VanDerWaalsContact OG-CG 3.27Å; S315-D323 PolarHBondContact OG-OD1 3.2Å; S315-D323 PolarHBondContact OG-OD2 2.97Å
316G92.3Very high92.4Very high36 Ų3657.9 Ų57.937%0.37132%0.315SS..SBendtrans88162.5-17600000113.2Y318 C319G316-Y318 PolarHBondContact O-N 3.33Å; G316-C319 PolarHBondContact O-N 3.5Å
317K94.6Very high92.4Very high142 Ų14259.2 Ų59.262%0.61732%0.324SS*.THydrogen-bonded Turntrans-54-30.5-176.2-178.6179.3174.9-165.40113.7C306C306-K317 WeakPolarHBondContact CB-O 3.42Å
318Y95.3Very high92.2Very high47 Ų4756.7 Ų56.718%0.18432%0.318CS..THydrogen-bonded Turntrans-117.318.4-176.7-51.1-71.6000111.7Q285 C286 R287 C295 S296 G316 Q320Q285-Y318 VanDerWaalsContact O-CE1 3.32Å; Q285-Y318 WeakPolarHBondContact O-CE1 3.49Å; C286-Y318 WeakPolarHBondContact O-CD1 3.1Å; R287-Y318 VanDerWaalsContact C-CE1 3.49Å; R287-Y318 WeakPolarHBondContact O-CE1 3.32Å; C295-Y318 CarbonylContact C-O 3.58Å; C295-Y318 WeakPolarHBondContact CA-O 3.14Å; C295-Y318 VanDerWaalsContact O-O 3.09Å; S296-Y318 WeakPolarHBondContact CB-O 3.1Å; S296-Y318 PolarHBondContact N-O 3.28Å; S296-Y318 PolarHBondContact OG-O 3.09Å; G316-Y318 PolarHBondContact O-N 3.33Å; Y318-Q320 VanDerWaalsContact CA-OE1 3.31Å; Y318-Q320 PolarHBondContact O-N 2.9Å; Y318-Q320 VanDerWaalsContact O-N 3.08Å
319C96Very high91.7Very high0 Ų060.7 Ų60.70%034%0.337CS..SBendtrans53.926.5-173.5-52.10000113.7C295 R298 C308 S315 G316C295-C319 HydrophobicContact CB-CB 4.49Å; R298-C319 HydrophobicContact CB-CB 4.05Å; R298-C319 WeakPolarHBondContact CD-O 3Å; C308-C319 WeakPolarHBondContact CA-SG 3.5Å; C308-C319 HydrophobicContact CB-CB 3.85Å; C308-C319 WeakPolarHBondContact CB-SG 2.98Å; C308-C319 WeakPolarHBondContact SG-CA 3.37Å; C308-C319 WeakPolarHBondContact SG-CB 2.96Å; C308-C319 CovalentContact SG-SG 2.04Å; C308-C319 PolarHBondContact SG-SG 3.33Å; S315-C319 CarbonylContact O-C 3.25Å; S315-C319 VanDerWaalsContact O-C 3.29Å; S315-C319 VanDerWaalsContact O-CA 3.24Å; S315-C319 WeakPolarHBondContact O-CA 3.49Å; G316-C319 PolarHBondContact O-N 3.5Å
320Q93.9Very high91.3Very high82 Ų8258.8 Ų58.838%0.38334%0.342SS..  trans-80.4-20.4-174.176.4-792.100113.1S296 S315 Y318S296-Q320 WeakPolarHBondContact OG-CB 3.48Å; S315-Q320 PolarHBondContact O-N 3.24Å; Y318-Q320 VanDerWaalsContact CA-OE1 3.31Å; Y318-Q320 PolarHBondContact O-N 2.9Å; Y318-Q320 VanDerWaalsContact O-N 3.08Å
321C94.4Very high91Very high8 Ų862.2 Ų62.25%0.05437%0.373CS..EExtended strand (participates in β ladder)trans-83.6137.7-178.3-620000110Y314 S315 C342Y314-C321 VanDerWaalsContact CA-O 3.25Å; Y314-C321 WeakPolarHBondContact CA-O 3.16Å; S315-C321 PolarHBondContact N-O 3.2Å; S315-C321 VanDerWaalsContact N-O 3.15Å; S315-C321 VanDerWaalsContact O-CB 3.27Å; S315-C321 WeakPolarHBondContact O-CB 3.31Å; S315-C321 PolarHBondContact O-N 3.09Å; S315-C321 VanDerWaalsContact OG-CB 3.28Å; S315-C321 WeakPolarHBondContact OG-CB 2.99Å; C321-C342 HydrophobicContact CB-CB 3.63Å; C321-C342 WeakPolarHBondContact CB-SG 3.21Å; C321-C342 WeakPolarHBondContact SG-CB 3.44Å; C321-C342 CovalentContact SG-SG 2.03Å; C321-C342 PolarHBondContact SG-SG 2.84Å
322D91.4Very high91.1Very high30 Ų3063.7 Ų63.716%0.1637%0.372CS..EExtended strand (participates in β ladder)trans-111.8103.5168.8-171.4-37.5000108.2Y314 T324 S325Y314-D322 HydrophobicContact CD1-CB 4.39Å; Y314-D322 HydrophobicContact CE1-CB 4.39Å; D322-T324 PolarHBondContact O-N 3.31Å; D322-T324 WeakPolarHBondContact OD1-CA 3.45Å; D322-T324 WeakPolarHBondContact OD1-CB 3.24Å; D322-T324 PolarHBondContact OD1-N 3.23Å; D322-T324 PolarHBondContact OD1-OG1 3.13Å; D322-S325 VanDerWaalsContact CG-OG 3.23Å; D322-S325 PolarHBondContact O-N 3.19Å; D322-S325 PolarHBondContact OD1-OG 2.96Å
323D89.7Confident91.3Very high30 Ų3059.8 Ų59.816%0.1636%0.355CS..THydrogen-bonded Turntrans-81.99.7-176.6-63.6-25.7000112.3K313 S315 C340 C342K313-D323 PolarHBondContact O-N 2.03Å; S315-D323 WeakPolarHBondContact CB-OD2 3.16Å; S315-D323 VanDerWaalsContact OG-CG 3.27Å; S315-D323 PolarHBondContact OG-OD1 3.2Å; S315-D323 PolarHBondContact OG-OD2 2.97Å; D323-C340 VanDerWaalsContact C-SG 3.5Å; D323-C340 VanDerWaalsContact O-CB 3.27Å; D323-C340 WeakPolarHBondContact O-CB 3.37Å; D323-C340 PolarHBondContact O-SG 2.88Å; D323-C342 WeakPolarHBondContact OD1-CA 3.49Å; D323-C342 PolarHBondContact OD1-N 3.25Å
324T89.2Confident91.5Very high66 Ų6656.6 Ų56.641%0.40534%0.341SS..THydrogen-bonded Turntrans-104.40.7170.864.70000113.3K313 D322K313-T324 HydrophobicContact CB-CG2 4.26Å; K313-T324 HydrophobicContact CD-CG2 4.46Å; K313-T324 WeakPolarHBondContact CE-OG1 3.29Å; K313-T324 HydrophobicContact CG-CG2 3.79Å; D322-T324 PolarHBondContact O-N 3.31Å; D322-T324 WeakPolarHBondContact OD1-CA 3.45Å; D322-T324 WeakPolarHBondContact OD1-CB 3.24Å; D322-T324 PolarHBondContact OD1-N 3.23Å; D322-T324 PolarHBondContact OD1-OG1 3.13Å
325S89.2Confident91.5Very high78 Ų7855.6 Ų55.655%0.54534%0.341SS..  trans-103.413.2-174-60.20000114.4D322D322-S325 VanDerWaalsContact CG-OG 3.23Å; D322-S325 PolarHBondContact O-N 3.19Å; D322-S325 PolarHBondContact OD1-OG 2.96Å
326C92Very high91.6Very high9 Ų955.8 Ų55.86%0.06135%0.348CS..  trans-69.9153.7178.6-820000113.1L333 C340 T344C326-L333 HydrophobicContact CB-CD2 4.25Å; C326-L333 VanDerWaalsContact O-CD2 3.23Å; C326-L333 WeakPolarHBondContact O-CD2 3.36Å; C326-C340 HydrophobicContact CB-CB 3.68Å; C326-C340 WeakPolarHBondContact CB-SG 3.44Å; C326-C340 WeakPolarHBondContact SG-CA 3.28Å; C326-C340 WeakPolarHBondContact SG-CB 3.29Å; C326-C340 CovalentContact SG-SG 2.01Å; C326-C340 PolarHBondContact SG-SG 2.04Å; C326-T344 VanDerWaalsContact SG-C 3.58Å; C326-T344 PolarHBondContact SG-N 3.47Å
327P93Very high91.7Very high54 Ų5458.7 Ų58.735%0.35135%0.348SS..  trans-60.7147.9171.529.3-37.3000111C334 P354 A355P327-C334 PolarHBondContact O-N 2.86Å; P327-C334 VanDerWaalsContact O-N 3.08Å; P327-P354 HydrophobicContact CG-CB 4.45Å; P327-P354 WeakPolarHBondContact CG-O 3.46Å; P327-A355 HydrophobicContact CB-CB 4.14Å; P327-A355 HydrophobicContact CG-CB 4.44Å
328S89.6Confident91.7Very high52 Ų5252.9 Ų52.936%0.36433%0.328SS..  trans-139.4137.8178.4174.20000108.5G330 E332S328-G330 PolarHBondContact OG-N 2.01Å; S328-G330 PolarHBondContact OG-O 3.45Å; S328-E332 WeakPolarHBondContact CB-O 3.4Å; S328-E332 PolarHBondContact OG-O 2.59Å
329N85.5Confident91.6Very high108 Ų10859.3 Ų59.358%0.57835%0.352SS*.SBendtrans-113.470.8166.2-160.4-1.3000108.4S335 A355 D357N329-S335 PolarHBondContact N-OG 2.76Å; N329-A355 HydrophobicContact CB-CB 4.33Å; N329-D357 HydrophobicContact CB-CB 3.93Å; N329-D357 PolarHBondContact ND2-OD2 3.44Å
330G82.8Confident91.5Very high64 Ų6460.1 Ų60.166%0.6636%0.357SS*.SBendtrans151.4-152.6-17500000112.4S328S328-G330 PolarHBondContact OG-N 2.01Å; S328-G330 PolarHBondContact OG-O 3.45Å
331A86.8Confident91.4Very high111 Ų11159 Ų5992%0.91735%0.352SS*.SBendtrans-86.1-23.6175.400000113.1
332E91.8Very high91.2Very high127 Ų12761.9 Ų61.959%0.59337%0.372SS*.SBendtrans-105.4140-173.2-63.6-174.6165.800111.6S328 S335 G336S328-E332 WeakPolarHBondContact CB-O 3.4Å; S328-E332 PolarHBondContact OG-O 2.59Å; E332-S335 WeakPolarHBondContact O-CA 3.43Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-G336 WeakPolarHBondContact OE2-CA 3.05Å
333L92.2Very high91.1Very high67 Ų6761.9 Ų61.935%0.35138%0.379SS..G310 helixtrans-57.7140.8173.6-68169.5000110.1C326 S335 G336C326-L333 HydrophobicContact CB-CD2 4.25Å; C326-L333 VanDerWaalsContact O-CD2 3.23Å; C326-L333 WeakPolarHBondContact O-CD2 3.36Å; L333-S335 PolarHBondContact O-N 3.19Å; L333-S335 VanDerWaalsContact O-N 3.11Å; L333-G336 PolarHBondContact O-N 2.84Å
334C95.5Very high91.2Very high1 Ų165 Ų651%0.00740%0.4CS..G310 helixtrans54.630.5-176.1-50.50000112.9P327 G336 R337 C345 A355 C356P327-C334 PolarHBondContact O-N 2.86Å; P327-C334 VanDerWaalsContact O-N 3.08Å; C334-G336 PolarHBondContact O-N 3.35Å; C334-R337 PolarHBondContact O-N 3.31Å; C334-C345 WeakPolarHBondContact CA-SG 3.08Å; C334-C345 HydrophobicContact CB-CB 3.64Å; C334-C345 WeakPolarHBondContact CB-SG 3.49Å; C334-C345 WeakPolarHBondContact SG-CA 3.4Å; C334-C345 WeakPolarHBondContact SG-CB 3.22Å; C334-C345 CovalentContact SG-SG 2.03Å; C334-C345 PolarHBondContact SG-SG 3.21Å; C334-A355 CarbonylContact C-O 3.6Å; C334-A355 WeakPolarHBondContact CA-O 3.43Å; C334-C356 HydrophobicContact CB-CB 4.48Å; C334-C356 WeakPolarHBondContact O-CB 3.47Å
335S94.4Very high91.5Very high20 Ų2062.6 Ų62.614%0.1439%0.385CS..G310 helixtrans52.827.1-180-460000113.9N329 E332 L333 R337 A355N329-S335 PolarHBondContact N-OG 2.76Å; E332-S335 WeakPolarHBondContact O-CA 3.43Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 VanDerWaalsContact O-N 3.08Å; L333-S335 PolarHBondContact O-N 3.19Å; L333-S335 VanDerWaalsContact O-N 3.11Å; S335-R337 WeakPolarHBondContact O-CG 3.35Å; S335-R337 PolarHBondContact O-N 2.87Å; S335-A355 VanDerWaalsContact CB-O 3.32Å; S335-A355 WeakPolarHBondContact CB-O 3.43Å; S335-A355 PolarHBondContact N-O 2.87Å; S335-A355 PolarHBondContact OG-O 2.86Å
336G94.1Very high91.9Very high39 Ų3966.3 Ų66.340%0.40239%0.387SS..G310 helixtrans71.210-176.600000114.7E332 L333 C334E332-G336 WeakPolarHBondContact OE2-CA 3.05Å; L333-G336 PolarHBondContact O-N 2.84Å; C334-G336 PolarHBondContact O-N 3.35Å
337R95Very high92.1Very high98 Ų9867.9 Ų67.937%0.3740%0.398SS..SBendtrans-129.329.6-167.6-68.2159.8172.8-179.8-0.3112.1C334 S335 C347 D348 W351 C356C334-R337 PolarHBondContact O-N 3.31Å; S335-R337 WeakPolarHBondContact O-CG 3.35Å; S335-R337 PolarHBondContact O-N 2.87Å; R337-C347 WeakPolarHBondContact O-CA 3.06Å; R337-D348 WeakPolarHBondContact CA-OD2 3.35Å; R337-D348 PolarHBondContact O-N 3.01Å; R337-W351 HydrophobicContact CB-CB 4.41Å; R337-W351 HydrophobicContact CB-CD2 4.17Å; R337-W351 HydrophobicContact CB-CG 3.9Å; R337-W351 HydrophobicContact CG-CD2 4.13Å; R337-W351 HydrophobicContact CG-CG 4.31Å; R337-C356 HydrophobicContact CB-CB 4.22Å; R337-C356 WeakPolarHBondContact O-CB 3.02Å
338G94.2Very high92.3Very high20 Ų2069.5 Ų69.521%0.20640%0.403CS..EExtended strand (participates in β ladder)trans-177.2169.4177.800000112.5R346 D348G338-R346 CarbonylContact C-O 3.56Å; G338-R346 WeakPolarHBondContact CA-O 3.25Å; G338-D348 PolarHBondContact N-OD2 2.97Å
339R93.8Very high92.6Very high181 Ų18174.4 Ų74.468%0.68343%0.43SS*.EExtended strand (participates in β ladder)trans-101.2129.2174.9-179.1173.5-67.9175.1-0.6110.1E341 R346R339-E341 HydrophobicContact CG-CG 4.11Å; R339-E341 PolarHBondContact O-N 3.45Å; R339-R346 PolarHBondContact N-O 3.09Å; R339-R346 PolarHBondContact O-N 3.17Å
340C92.6Very high93Very high17 Ų1770.1 Ų70.112%0.11541%0.412CS..EExtended strand (participates in β ladder)trans-71.5125.8169.6-173.10000110.1D323 C326D323-C340 VanDerWaalsContact C-SG 3.5Å; D323-C340 VanDerWaalsContact O-CB 3.27Å; D323-C340 WeakPolarHBondContact O-CB 3.37Å; D323-C340 PolarHBondContact O-SG 2.88Å; C326-C340 HydrophobicContact CB-CB 3.68Å; C326-C340 WeakPolarHBondContact CB-SG 3.44Å; C326-C340 WeakPolarHBondContact SG-CA 3.28Å; C326-C340 WeakPolarHBondContact SG-CB 3.29Å; C326-C340 CovalentContact SG-SG 2.01Å; C326-C340 PolarHBondContact SG-SG 2.04Å
341E91.4Very high93.7Very high59 Ų5970.3 Ų70.328%0.27639%0.393SS..EExtended strand (participates in β ladder)trans-133.5108.7174.2-64-169.7-165.800109.9R339 G343 T344 R346R339-E341 HydrophobicContact CG-CG 4.11Å; R339-E341 PolarHBondContact O-N 3.45Å; E341-G343 VanDerWaalsContact C-N 3.28Å; E341-G343 PolarHBondContact O-N 2.88Å; E341-T344 PolarHBondContact N-O 3.21Å; E341-T344 PolarHBondContact O-N 2.88Å; E341-R346 VanDerWaalsContact CD-CD 3.47Å; E341-R346 HydrophobicContact CG-CG 4.22Å; E341-R346 VanDerWaalsContact OE1-CD 3.24Å; E341-R346 WeakPolarHBondContact OE1-CD 3.23Å; E341-R346 IonicContact OE1-CZ 3.41Å; E341-R346 IonicContact OE1-NE 3.53Å; E341-R346 IonicContact OE1-NH1 2.86Å; E341-R346 PolarHBondContact OE1-NH1 2.9Å; E341-R346 IonicContact OE2-CZ 2.69Å; E341-R346 IonicContact OE2-NE 3Å; E341-R346 PolarHBondContact OE2-NE 2.94Å; E341-R346 IonicContact OE2-NH1 2.83Å; E341-R346 PolarHBondContact OE2-NH1 2.96Å; E341-R346 IonicContact OE2-NH2 3.08Å; E341-R346 PolarHBondContact OE2-NH2 3.19Å; E341-R346 VanDerWaalsContact OE2-NH2 3.08Å
342C91.3Very high94.1Very high68 Ų6868.5 Ų68.546%0.45937%0.37SS..THydrogen-bonded Turntrans49.346.3178.8-149.70000113.5C321 D323 T344C321-C342 HydrophobicContact CB-CB 3.63Å; C321-C342 WeakPolarHBondContact CB-SG 3.21Å; C321-C342 WeakPolarHBondContact SG-CB 3.44Å; C321-C342 CovalentContact SG-SG 2.03Å; C321-C342 PolarHBondContact SG-SG 2.84Å; D323-C342 WeakPolarHBondContact OD1-CA 3.49Å; D323-C342 PolarHBondContact OD1-N 3.25Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 2.86Å
343G88.3Confident94.2Very high31 Ų3163.7 Ų63.732%0.3236%0.355SS..THydrogen-bonded Turntrans81.32.6179.600000115.5E341E341-G343 VanDerWaalsContact C-N 3.28Å; E341-G343 PolarHBondContact O-N 2.88Å
344T93.5Very high94.3Very high96 Ų9665.7 Ų65.759%0.58937%0.372SS*.EExtended strand (participates in β ladder)trans-118.2132.7176-54.20000110.8C326 E341 C342C326-T344 VanDerWaalsContact SG-C 3.58Å; C326-T344 PolarHBondContact SG-N 3.47Å; E341-T344 PolarHBondContact N-O 3.21Å; E341-T344 PolarHBondContact O-N 2.88Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 2.86Å
345C95.2Very high94.3Very high14 Ų1466.1 Ų66.110%0.09538%0.376CS..EExtended strand (participates in β ladder)trans-78.5124.2175.2-68.70000111.6C334 P354 C356C334-C345 WeakPolarHBondContact CA-SG 3.08Å; C334-C345 HydrophobicContact CB-CB 3.64Å; C334-C345 WeakPolarHBondContact CB-SG 3.49Å; C334-C345 WeakPolarHBondContact SG-CA 3.4Å; C334-C345 WeakPolarHBondContact SG-CB 3.22Å; C334-C345 CovalentContact SG-SG 2.03Å; C334-C345 PolarHBondContact SG-SG 3.21Å; C345-P354 WeakPolarHBondContact CB-O 3.4Å; C345-C356 WeakPolarHBondContact CB-SG 2.91Å
346R96.3Very high94.4Very high157 Ų15765.1 Ų65.159%0.59237%0.369SS*.EExtended strand (participates in β ladder)trans-89.4102.8163.2-69.7-150.9178.2149.4-3.3109G338 R339 E341G338-R346 CarbonylContact C-O 3.56Å; G338-R346 WeakPolarHBondContact CA-O 3.25Å; R339-R346 PolarHBondContact N-O 3.09Å; R339-R346 PolarHBondContact O-N 3.17Å; E341-R346 VanDerWaalsContact CD-CD 3.47Å; E341-R346 HydrophobicContact CG-CG 4.22Å; E341-R346 VanDerWaalsContact OE1-CD 3.24Å; E341-R346 WeakPolarHBondContact OE1-CD 3.23Å; E341-R346 IonicContact OE1-CZ 3.41Å; E341-R346 IonicContact OE1-NE 3.53Å; E341-R346 IonicContact OE1-NH1 2.86Å; E341-R346 PolarHBondContact OE1-NH1 2.9Å; E341-R346 IonicContact OE2-CZ 2.69Å; E341-R346 IonicContact OE2-NE 3Å; E341-R346 PolarHBondContact OE2-NE 2.94Å; E341-R346 IonicContact OE2-NH1 2.83Å; E341-R346 PolarHBondContact OE2-NH1 2.96Å; E341-R346 IonicContact OE2-NH2 3.08Å; E341-R346 PolarHBondContact OE2-NH2 3.19Å; E341-R346 VanDerWaalsContact OE2-NH2 3.08Å
347C96.8Very high94.5Very high42 Ų4266.3 Ų66.328%0.28437%0.366SS..EExtended strand (participates in β ladder)trans-70145.2-176.2-52.30000112.5R337 W351 G353 C356R337-C347 WeakPolarHBondContact O-CA 3.06Å; C347-W351 HydrophobicContact CB-CB 4.07Å; C347-W351 VanDerWaalsContact CB-O 3.26Å; C347-W351 WeakPolarHBondContact CB-O 3.33Å; C347-G353 PolarHBondContact SG-O 3.21Å; C347-C356 WeakPolarHBondContact CA-SG 3.4Å; C347-C356 HydrophobicContact CB-CB 3.67Å; C347-C356 WeakPolarHBondContact CB-SG 3.03Å; C347-C356 PolarHBondContact N-SG 3.02Å; C347-C356 WeakPolarHBondContact SG-CA 3.42Å; C347-C356 WeakPolarHBondContact SG-CB 3.46Å; C347-C356 CovalentContact SG-SG 2.04Å; C347-C356 PolarHBondContact SG-SG 3.23Å
348D96.9Very high94.5Very high88 Ų8862.2 Ų62.247%0.47135%0.353SS..PPolyproline II helixtrans-65.2156.9170.5-64.9-36.7000110.3R337 G338 G350 W351R337-D348 WeakPolarHBondContact CA-OD2 3.35Å; R337-D348 PolarHBondContact O-N 3.01Å; G338-D348 PolarHBondContact N-OD2 2.97Å; D348-G350 PolarHBondContact O-N 3.17Å; D348-W351 PolarHBondContact O-N 3.38Å
349V95.9Very high94.5Very high154 Ų15462.6 Ų62.693%0.93335%0.351SS*.THydrogen-bonded Turntrans-57.7128.1177.4-179.80000109.2
350G95.2Very high94.5Very high19 Ų1957.9 Ų57.920%0.19634%0.342CS..THydrogen-bonded Turntrans101.8-7.7-174.200000114.3D348 T359 T360D348-G350 PolarHBondContact O-N 3.17Å; G350-T359 CarbonylContact O-C 3.58Å; G350-T359 WeakPolarHBondContact O-CA 3.27Å; G350-T360 VanDerWaalsContact CA-OG1 3.24Å; G350-T360 WeakPolarHBondContact CA-OG1 3.23Å; G350-T360 PolarHBondContact O-N 2.95Å; G350-T360 PolarHBondContact O-OG1 3.48Å
351W96.7Very high94.5Very high68 Ų6862.8 Ų62.826%0.25836%0.363SS..EExtended strand (participates in β ladder)trans-125.5147.4-177.3-61.796.2000112.3R337 C347 D348 C356 C358R337-W351 HydrophobicContact CB-CB 4.41Å; R337-W351 HydrophobicContact CB-CD2 4.17Å; R337-W351 HydrophobicContact CB-CG 3.9Å; R337-W351 HydrophobicContact CG-CD2 4.13Å; R337-W351 HydrophobicContact CG-CG 4.31Å; C347-W351 HydrophobicContact CB-CB 4.07Å; C347-W351 VanDerWaalsContact CB-O 3.26Å; C347-W351 WeakPolarHBondContact CB-O 3.33Å; D348-W351 PolarHBondContact O-N 3.38Å; W351-C356 HydrophobicContact CB-CB 4.41Å; W351-C358 CarbonylContact C-O 2.82Å; W351-C358 WeakPolarHBondContact CA-O 2.97Å
352T94.9Very high94.6Very high72 Ų7263 Ų6344%0.44237%0.369SS..EExtended strand (participates in β ladder)trans-145.7-179.6178.6-1660000111.1C356 D357 C358 T360T352-C356 CarbonylContact O-C 3.44Å; T352-C356 WeakPolarHBondContact O-CA 3.29Å; T352-D357 PolarHBondContact O-N 3.32Å; T352-C358 HydrophobicContact CG2-CB 3.72Å; T352-C358 PolarHBondContact N-O 2.84Å; T352-C358 WeakPolarHBondContact O-CB 3.06Å; T352-C358 PolarHBondContact O-N 3.37Å; T352-C358 VanDerWaalsContact O-N 3.11Å; T352-T360 HydrophobicContact CG2-CG2 4.06Å
353G94Very high94.7Very high27 Ų2764.3 Ų64.328%0.27838%0.375SS..SBendtrans90.7161.7-175.600000113C347 A355 C356C347-G353 PolarHBondContact SG-O 3.21Å; G353-A355 PolarHBondContact O-N 3.11Å; G353-C356 PolarHBondContact O-N 3.45Å; G353-C356 VanDerWaalsContact O-N 3.13Å
354P94.3Very high94.9Very high109 Ų10969.8 Ų69.871%0.70839%0.392SS*.THydrogen-bonded Turntrans-59-30.9-176.8-2534.6000114.1P327 C345P327-P354 HydrophobicContact CG-CB 4.45Å; P327-P354 WeakPolarHBondContact CG-O 3.46Å; C345-P354 WeakPolarHBondContact CB-O 3.4Å
355A95.7Very high95Very high9 Ų965.2 Ų65.27%0.07436%0.364CS..THydrogen-bonded Turntrans-105.89.6179.700000113.4P327 N329 C334 S335 G353 D357P327-A355 HydrophobicContact CB-CB 4.14Å; P327-A355 HydrophobicContact CG-CB 4.44Å; N329-A355 HydrophobicContact CB-CB 4.33Å; C334-A355 CarbonylContact C-O 3.6Å; C334-A355 WeakPolarHBondContact CA-O 3.43Å; S335-A355 VanDerWaalsContact CB-O 3.32Å; S335-A355 WeakPolarHBondContact CB-O 3.43Å; S335-A355 PolarHBondContact N-O 2.87Å; S335-A355 PolarHBondContact OG-O 2.86Å; G353-A355 PolarHBondContact O-N 3.11Å; A355-D357 PolarHBondContact O-N 3.42Å
356C96.6Very high95Very high0 Ų069.1 Ų69.10%038%0.383CS..SBendtrans54.435.1-175.9-50.90000114.5C334 R337 C345 C347 W351 T352 G353C334-C356 HydrophobicContact CB-CB 4.48Å; C334-C356 WeakPolarHBondContact O-CB 3.47Å; R337-C356 HydrophobicContact CB-CB 4.22Å; R337-C356 WeakPolarHBondContact O-CB 3.02Å; C345-C356 WeakPolarHBondContact CB-SG 2.91Å; C347-C356 WeakPolarHBondContact CA-SG 3.4Å; C347-C356 HydrophobicContact CB-CB 3.67Å; C347-C356 WeakPolarHBondContact CB-SG 3.03Å; C347-C356 PolarHBondContact N-SG 3.02Å; C347-C356 WeakPolarHBondContact SG-CA 3.42Å; C347-C356 WeakPolarHBondContact SG-CB 3.46Å; C347-C356 CovalentContact SG-SG 2.04Å; C347-C356 PolarHBondContact SG-SG 3.23Å; W351-C356 HydrophobicContact CB-CB 4.41Å; T352-C356 CarbonylContact O-C 3.44Å; T352-C356 WeakPolarHBondContact O-CA 3.29Å; G353-C356 PolarHBondContact O-N 3.45Å; G353-C356 VanDerWaalsContact O-N 3.13Å
357D95.1Very high94.7Very high63 Ų6362 Ų6234%0.33736%0.359SS..  trans-95.7-11.9-17657.9-26.4000113.5N329 T352 A355N329-D357 HydrophobicContact CB-CB 3.93Å; N329-D357 PolarHBondContact ND2-OD2 3.44Å; T352-D357 PolarHBondContact O-N 3.32Å; A355-D357 PolarHBondContact O-N 3.42Å
358C95.4Very high94.3Very high13 Ų1370.4 Ų70.49%0.08839%0.391CS..EExtended strand (participates in β ladder)trans-100.7118.2-175.7-170.30000111.3W351 T352 C381W351-C358 CarbonylContact C-O 2.82Å; W351-C358 WeakPolarHBondContact CA-O 2.97Å; T352-C358 HydrophobicContact CG2-CB 3.72Å; T352-C358 PolarHBondContact N-O 2.84Å; T352-C358 WeakPolarHBondContact O-CB 3.06Å; T352-C358 PolarHBondContact O-N 3.37Å; T352-C358 VanDerWaalsContact O-N 3.11Å; C358-C381 HydrophobicContact CB-CB 3.89Å; C358-C381 WeakPolarHBondContact CB-SG 3.35Å; C358-C381 WeakPolarHBondContact SG-CA 3.03Å; C358-C381 WeakPolarHBondContact SG-CB 3.29Å; C358-C381 CovalentContact SG-SG 2.03Å; C358-C381 PolarHBondContact SG-SG 3Å
359T94.6Very high93.9Very high28 Ų2869.2 Ų69.217%0.17239%0.389CS..EExtended strand (participates in β ladder)trans-72.6142.1174.6-178.50000110.9G350 E361G350-T359 CarbonylContact O-C 3.58Å; G350-T359 WeakPolarHBondContact O-CA 3.27Å; T359-E361 WeakPolarHBondContact OG1-CB 3Å; T359-E361 PolarHBondContact OG1-N 2.03Å
360T93.8Very high93.7Very high82 Ų8264.3 Ų64.350%0.50337%0.37SS..  trans-90.9-4.8169.466.90000112.3G350 T352G350-T360 VanDerWaalsContact CA-OG1 3.24Å; G350-T360 WeakPolarHBondContact CA-OG1 3.23Å; G350-T360 PolarHBondContact O-N 2.95Å; G350-T360 PolarHBondContact O-OG1 3.48Å; T352-T360 HydrophobicContact CG2-CG2 4.06Å
361E93.1Very high93.7Very high119 Ų11968.2 Ų68.256%0.55638%0.384SS*.  trans-70.1138.3173.3-62.9-168.9168.100110.6T359T359-E361 WeakPolarHBondContact OG1-CB 3Å; T359-E361 PolarHBondContact OG1-N 2.03Å
362T93.9Very high93.6Very high64 Ų6468.4 Ų68.439%0.39339%0.389SS..  trans-113.48.4-177.853.60000112.5E364 C365 L366 I372 C379T362-E364 PolarHBondContact O-N 2.82Å; T362-C365 WeakPolarHBondContact O-CB 3.29Å; T362-C365 PolarHBondContact O-N 2.03Å; T362-L366 PolarHBondContact O-N 3.48Å; T362-I372 HydrophobicContact CG2-CD1 3.94Å; T362-C379 HydrophobicContact CG2-CB 4.34Å
363T92.7Very high93.6Very high96 Ų9665 Ų6559%0.58937%0.368SS*.G310 helixtrans-58.3-44.6-177.145.90000112C365 L366T363-C365 PolarHBondContact O-N 2.79Å; T363-L366 WeakPolarHBondContact O-CB 3.42Å; T363-L366 PolarHBondContact O-N 2.81Å
364E91.9Very high93.6Very high145 Ų14564.9 Ų64.968%0.67836%0.362SS*.G310 helixtrans-68.4-21.5176.6-65.1-171.6172.700113.4T362 G382T362-E364 PolarHBondContact O-N 2.82Å; E364-G382 WeakPolarHBondContact CB-O 3.34Å
365C96Very high93.6Very high0 Ų062 Ų620%035%0.351CS..G310 helixtrans-87.2-5.6177.6-66.50000113.2T362 T363 G367 I372 C373 C379 G382T362-C365 WeakPolarHBondContact O-CB 3.29Å; T362-C365 PolarHBondContact O-N 2.03Å; T363-C365 PolarHBondContact O-N 2.79Å; C365-G367 PolarHBondContact O-N 2.03Å; C365-I372 HydrophobicContact CB-CG2 4.02Å; C365-I372 WeakPolarHBondContact O-CA 3.01Å; C365-C373 PolarHBondContact O-N 3.48Å; C365-C379 HydrophobicContact CB-CB 3.59Å; C365-C379 WeakPolarHBondContact CB-SG 2.99Å; C365-C379 WeakPolarHBondContact SG-CB 3.48Å; C365-C379 CovalentContact SG-SG 2.04Å; C365-C379 PolarHBondContact SG-SG 3.33Å; C365-G382 PolarHBondContact SG-O 3.35Å; C365-G382 VanDerWaalsContact SG-O 3.38Å
366L95.3Very high93.6Very high96 Ų9664.3 Ų64.350%0.50336%0.361SS..BIsolated β-bridgetrans-78.4110.3-175.7-165.670000110.7T362 T363 G370T362-L366 PolarHBondContact O-N 3.48Å; T363-L366 WeakPolarHBondContact O-CB 3.42Å; T363-L366 PolarHBondContact O-N 2.81Å; L366-G370 VanDerWaalsContact CD1-O 3.28Å; L366-G370 WeakPolarHBondContact CD1-O 3.39Å
367G90.5Very high93.5Very high7 Ų765.3 Ų65.37%0.07237%0.37CS..  trans-75170.1178.300000113.4C365 S369 G370 M371C365-G367 PolarHBondContact O-N 2.03Å; G367-S369 PolarHBondContact O-N 2.81Å; G367-S369 VanDerWaalsContact O-N 3.1Å; G367-G370 PolarHBondContact O-N 2.04Å; G367-M371 PolarHBondContact N-O 2.79Å
368K88.6Confident93.5Very high220 Ų22066 Ų6696%0.95738%0.38SS*.THydrogen-bonded Turntrans-57.7-24.9176.2-69.5-176.9-179.9177.10113.6G370K368-G370 PolarHBondContact O-N 3.46Å
369S87.5Confident93.6Very high62 Ų6266.8 Ų66.843%0.43439%0.386SS..THydrogen-bonded Turntrans-69.2-10.1173.960.90000114G367 M371 N374G367-S369 PolarHBondContact O-N 2.81Å; G367-S369 VanDerWaalsContact O-N 3.1Å; S369-M371 PolarHBondContact O-N 3Å; S369-M371 PolarHBondContact OG-N 2.83Å; S369-N374 VanDerWaalsContact CB-OD1 3.31Å; S369-N374 WeakPolarHBondContact CB-OD1 2.97Å; S369-N374 PolarHBondContact N-OD1 3.08Å; S369-N374 PolarHBondContact OG-OD1 2.69Å
370G91.8Very high93.5Very high51 Ų5170.4 Ų70.453%0.52640%0.404SS..SBendtrans77.15.3-170.600000113.7L366 G367 K368L366-G370 VanDerWaalsContact CD1-O 3.28Å; L366-G370 WeakPolarHBondContact CD1-O 3.39Å; G367-G370 PolarHBondContact O-N 2.04Å; K368-G370 PolarHBondContact O-N 3.46Å
371M94.5Very high93.6Very high102 Ų10269.1 Ų69.150%0.50240%0.398SS..SBendtrans-101.8144.6174.4-62.9-172.6-73.300110.9G367 S369 C373 N374G367-M371 PolarHBondContact N-O 2.79Å; S369-M371 PolarHBondContact O-N 3Å; S369-M371 PolarHBondContact OG-N 2.83Å; M371-C373 PolarHBondContact O-N 2.69Å; M371-N374 PolarHBondContact O-N 2.94Å; M371-N374 VanDerWaalsContact O-N 3.15Å
372I94.9Very high93.6Very high71 Ų7163.7 Ų63.736%0.36437%0.373SS..BIsolated β-bridgetrans-59.1125.4170.2-68.1-179.3000108.3T362 C365 N374 G375 C379T362-I372 HydrophobicContact CG2-CD1 3.94Å; C365-I372 HydrophobicContact CB-CG2 4.02Å; C365-I372 WeakPolarHBondContact O-CA 3.01Å; I372-N374 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact O-N 3.12Å; I372-G375 PolarHBondContact O-N 2.86Å; I372-C379 HydrophobicContact CG2-CB 3.62Å
373C96.1Very high93.7Very high0 Ų068.1 Ų68.10%039%0.387CS..G310 helixtrans52.134-178.2-51.60000113.1C365 M371 G375 Q376 C384 T394 C395C365-C373 PolarHBondContact O-N 3.48Å; M371-C373 PolarHBondContact O-N 2.69Å; C373-G375 PolarHBondContact O-N 3.07Å; C373-Q376 WeakPolarHBondContact O-CA 3.39Å; C373-Q376 PolarHBondContact O-N 2.79Å; C373-C384 WeakPolarHBondContact CA-SG 3.18Å; C373-C384 HydrophobicContact CB-CB 3.77Å; C373-C384 WeakPolarHBondContact CB-SG 3.38Å; C373-C384 WeakPolarHBondContact SG-CA 3.34Å; C373-C384 WeakPolarHBondContact SG-CB 2.99Å; C373-C384 CovalentContact SG-SG 2.03Å; C373-C384 PolarHBondContact SG-SG 3.22Å; C373-T394 CarbonylContact C-O 3.29Å; C373-T394 WeakPolarHBondContact CA-O 3.42Å; C373-C395 HydrophobicContact CB-CB 4.43Å; C373-C395 WeakPolarHBondContact O-CB 3.2Å
374N93.8Very high93.9Very high26 Ų2664.7 Ų64.714%0.13937%0.367CS..G310 helixtrans47.725.6-173.2-66.8-71.1000114.4S369 M371 I372 Q376 T394 E396S369-N374 VanDerWaalsContact CB-OD1 3.31Å; S369-N374 WeakPolarHBondContact CB-OD1 2.97Å; S369-N374 PolarHBondContact N-OD1 3.08Å; S369-N374 PolarHBondContact OG-OD1 2.69Å; M371-N374 PolarHBondContact O-N 2.94Å; M371-N374 VanDerWaalsContact O-N 3.15Å; I372-N374 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact O-N 3.12Å; N374-Q376 PolarHBondContact O-N 2.95Å; N374-T394 PolarHBondContact N-O 2.98Å; N374-T394 PolarHBondContact ND2-O 3.42Å; N374-T394 PolarHBondContact ND2-OG1 2.04Å; N374-E396 WeakPolarHBondContact ND2-CB 3.49Å
375G93.7Very high94.1Very high47 Ų4760.4 Ų60.449%0.48536%0.356SS..G310 helixtrans73.77.4-174.600000114.9I372 C373I372-G375 PolarHBondContact O-N 2.86Å; C373-G375 PolarHBondContact O-N 3.07Å
376Q95.1Very high94.1Very high59 Ų5962.3 Ų62.328%0.27637%0.369SS..SBendtrans-116.426.3-174.2-59.2-63.7-2.900112.8C373 N374 C386 N387 Y390 C395C373-Q376 WeakPolarHBondContact O-CA 3.39Å; C373-Q376 PolarHBondContact O-N 2.79Å; N374-Q376 PolarHBondContact O-N 2.95Å; Q376-C386 CarbonylContact O-C 2.88Å; Q376-C386 WeakPolarHBondContact O-CA 3.24Å; Q376-N387 PolarHBondContact O-N 3.15Å; Q376-Y390 HydrophobicContact CB-CD1 3.85Å; Q376-Y390 HydrophobicContact CB-CD2 4.04Å; Q376-Y390 HydrophobicContact CB-CE1 4.27Å; Q376-Y390 HydrophobicContact CB-CE2 4.44Å; Q376-Y390 HydrophobicContact CB-CG 3.72Å; Q376-Y390 HydrophobicContact CG-CD1 3.67Å; Q376-Y390 HydrophobicContact CG-CD2 4.23Å; Q376-Y390 HydrophobicContact CG-CE1 3.59Å; Q376-Y390 HydrophobicContact CG-CE2 4.17Å; Q376-Y390 HydrophobicContact CG-CG 3.99Å; Q376-Y390 PolarHBondContact NE2-OH 2.79Å; Q376-Y390 VanDerWaalsContact OE1-CE2 3.3Å; Q376-C395 HydrophobicContact CB-CB 3.9Å
377G94.9Very high94.1Very high20 Ų2061.8 Ų61.821%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-178.2-178.2177.300000112.6A385G377-A385 CarbonylContact C-O 3.57Å; G377-A385 WeakPolarHBondContact CA-O 3.26Å
378S96.3Very high94.3Very high78 Ų7869.5 Ų69.555%0.54541%0.406SS..EExtended strand (participates in β ladder)trans-113.9141.1172.8-1740000110.2A385S378-A385 PolarHBondContact N-O 3.24Å; S378-A385 PolarHBondContact O-N 2.79Å
379C95.6Very high94.5Very high30 Ų3060.1 Ų60.120%0.20337%0.373CS..EExtended strand (participates in β ladder)trans-82.6119.6173.2-171.80000109.6T362 C365 I372T362-C379 HydrophobicContact CG2-CB 4.34Å; C365-C379 HydrophobicContact CB-CB 3.59Å; C365-C379 WeakPolarHBondContact CB-SG 2.99Å; C365-C379 WeakPolarHBondContact SG-CB 3.48Å; C365-C379 CovalentContact SG-SG 2.04Å; C365-C379 PolarHBondContact SG-SG 3.33Å; I372-C379 HydrophobicContact CG2-CB 3.62Å
380D94.4Very high94.9Very high104 Ų10460.8 Ų60.856%0.55637%0.366SS*.EExtended strand (participates in β ladder)trans-126117.6178.3-171.121.5000109.4G382 K383D380-G382 VanDerWaalsContact C-N 3.27Å; D380-G382 PolarHBondContact O-N 2.73Å; D380-K383 PolarHBondContact N-O 3.03Å; D380-K383 PolarHBondContact O-N 3.04Å; D380-K383 VanDerWaalsContact O-O 3.12Å
381C94.3Very high94.9Very high55 Ų5559 Ų5937%0.37235%0.348SS..THydrogen-bonded Turntrans48.442.7-175.9-49.90000114.6C358 K383C358-C381 HydrophobicContact CB-CB 3.89Å; C358-C381 WeakPolarHBondContact CB-SG 3.35Å; C358-C381 WeakPolarHBondContact SG-CA 3.03Å; C358-C381 WeakPolarHBondContact SG-CB 3.29Å; C358-C381 CovalentContact SG-SG 2.03Å; C358-C381 PolarHBondContact SG-SG 3Å; C381-K383 VanDerWaalsContact C-N 3.31Å; C381-K383 PolarHBondContact O-N 3.42Å
382G94Very high94.8Very high4 Ų455.6 Ų55.64%0.04134%0.339CS..THydrogen-bonded Turntrans80.73-179.400000115E364 C365 D380E364-G382 WeakPolarHBondContact CB-O 3.34Å; C365-G382 PolarHBondContact SG-O 3.35Å; C365-G382 VanDerWaalsContact SG-O 3.38Å; D380-G382 VanDerWaalsContact C-N 3.27Å; D380-G382 PolarHBondContact O-N 2.73Å
383K95.9Very high94.8Very high157 Ų15757.1 Ų57.168%0.68335%0.353SS*.EExtended strand (participates in β ladder)trans-121.4141.5-179.8-64.1177.9-177173.40111.4D380 C381 A385D380-K383 PolarHBondContact N-O 3.03Å; D380-K383 PolarHBondContact O-N 3.04Å; D380-K383 VanDerWaalsContact O-O 3.12Å; C381-K383 VanDerWaalsContact C-N 3.31Å; C381-K383 PolarHBondContact O-N 3.42Å; K383-A385 PolarHBondContact O-N 3.2Å
384C96.5Very high94.8Very high25 Ų2558 Ų5817%0.16936%0.359CS..EExtended strand (participates in β ladder)trans-78.6122.7177.2-74.50000112.5C373 P393C373-C384 WeakPolarHBondContact CA-SG 3.18Å; C373-C384 HydrophobicContact CB-CB 3.77Å; C373-C384 WeakPolarHBondContact CB-SG 3.38Å; C373-C384 WeakPolarHBondContact SG-CA 3.34Å; C373-C384 WeakPolarHBondContact SG-CB 2.99Å; C373-C384 CovalentContact SG-SG 2.03Å; C373-C384 PolarHBondContact SG-SG 3.22Å; C384-P393 WeakPolarHBondContact CB-O 3.45Å
385A96.6Very high94.9Very high54 Ų5456.8 Ų56.845%0.44635%0.352SS..EExtended strand (participates in β ladder)trans-89.297.6162.600000108.6G377 S378 K383G377-A385 CarbonylContact C-O 3.57Å; G377-A385 WeakPolarHBondContact CA-O 3.26Å; S378-A385 PolarHBondContact N-O 3.24Å; S378-A385 PolarHBondContact O-N 2.79Å; K383-A385 PolarHBondContact O-N 3.2Å
386C96.1Very high94.8Very high41 Ų4158.8 Ų58.828%0.27735%0.349SS..EExtended strand (participates in β ladder)trans-72.7146.5-176.1-54.90000112.8Q376 Y390 C395Q376-C386 CarbonylContact O-C 2.88Å; Q376-C386 WeakPolarHBondContact O-CA 3.24Å; C386-Y390 WeakPolarHBondContact CB-O 3.44Å; C386-C395 WeakPolarHBondContact CA-SG 3.01Å; C386-C395 HydrophobicContact CB-CB 3.79Å; C386-C395 WeakPolarHBondContact CB-SG 3.32Å; C386-C395 WeakPolarHBondContact SG-CA 3.24Å; C386-C395 WeakPolarHBondContact SG-CB 3.5Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.01Å
387N95.5Very high94.7Very high85 Ų8560.5 Ų60.546%0.45536%0.359SS..PPolyproline II helixtrans-66.1154.6169.3-63.6-27.5000110.2Q376 G389 Y390Q376-N387 PolarHBondContact O-N 3.15Å; N387-G389 PolarHBondContact O-N 3.12Å; N387-Y390 PolarHBondContact O-N 2.95Å; N387-Y390 VanDerWaalsContact O-N 3.07Å
388D94.5Very high94.5Very high168 Ų16861.6 Ų61.690%0.89836%0.364SS*.THydrogen-bonded Turntrans-52.3130.2178.3-70.1-25.7000111.9
389G93.3Very high94.2Very high24 Ų2463.4 Ų63.425%0.24737%0.366CS..THydrogen-bonded Turntrans92.2-3.9-177.800000115.1N387 L399N387-G389 PolarHBondContact O-N 3.12Å; G389-L399 WeakPolarHBondContact O-CB 3.31Å; G389-L399 PolarHBondContact O-N 3Å
390Y94.7Very high93.6Very high75 Ų7568.6 Ų68.629%0.29439%0.392SS..EExtended strand (participates in β ladder)trans-116.2150175-65.6-91.8000112.1Q376 C386 N387 L397 C398Q376-Y390 HydrophobicContact CB-CD1 3.85Å; Q376-Y390 HydrophobicContact CB-CD2 4.04Å; Q376-Y390 HydrophobicContact CB-CE1 4.27Å; Q376-Y390 HydrophobicContact CB-CE2 4.44Å; Q376-Y390 HydrophobicContact CB-CG 3.72Å; Q376-Y390 HydrophobicContact CG-CD1 3.67Å; Q376-Y390 HydrophobicContact CG-CD2 4.23Å; Q376-Y390 HydrophobicContact CG-CE1 3.59Å; Q376-Y390 HydrophobicContact CG-CE2 4.17Å; Q376-Y390 HydrophobicContact CG-CG 3.99Å; Q376-Y390 PolarHBondContact NE2-OH 2.79Å; Q376-Y390 VanDerWaalsContact OE1-CE2 3.3Å; C386-Y390 WeakPolarHBondContact CB-O 3.44Å; N387-Y390 PolarHBondContact O-N 2.95Å; N387-Y390 VanDerWaalsContact O-N 3.07Å; Y390-L397 CarbonylContact C-O 3.51Å; Y390-L397 VanDerWaalsContact CA-O 3.27Å; Y390-L397 WeakPolarHBondContact CA-O 3.45Å; Y390-C398 HydrophobicContact CD1-CB 4.32Å; Y390-C398 HydrophobicContact CE1-CB 4.02Å
391G92.8Very high92.8Very high14 Ų1467.2 Ų67.214%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-149.3179.317900000113.1C395 E396 L397G391-C395 CarbonylContact O-C 3.55Å; G391-C395 VanDerWaalsContact O-C 3.25Å; G391-C395 VanDerWaalsContact O-CA 3.23Å; G391-C395 WeakPolarHBondContact O-CA 3.06Å; G391-E396 PolarHBondContact O-N 2.03Å; G391-L397 PolarHBondContact N-O 3.3Å; G391-L397 WeakPolarHBondContact O-CB 3.05Å; G391-L397 PolarHBondContact O-N 3.1Å
392G92.4Very high91.3Very high31 Ų3173.2 Ų73.232%0.3241%0.413SS..SBendtrans96.8163.2-173.500000112.7T394 C395G392-T394 PolarHBondContact O-N 2.78Å; G392-T394 VanDerWaalsContact O-N 3.17Å; G392-C395 PolarHBondContact O-N 3.27Å
393P93.6Very high89.3Confident102 Ų10279 Ų7966%0.66245%0.447SS*.THydrogen-bonded Turntrans-58.2-27.1-177.923.7-36.2000113.7C384 E396C384-P393 WeakPolarHBondContact CB-O 3.45Å; P393-E396 VanDerWaalsContact CD-OE1 3.29Å; P393-E396 WeakPolarHBondContact CD-OE1 3.32Å
394T96.1Very high87Confident18 Ų1879.7 Ų79.711%0.1145%0.453CS..THydrogen-bonded Turntrans-122.420.3177.563.60000112.5C373 N374 G392 E396C373-T394 CarbonylContact C-O 3.29Å; C373-T394 WeakPolarHBondContact CA-O 3.42Å; N374-T394 PolarHBondContact N-O 2.98Å; N374-T394 PolarHBondContact ND2-O 3.42Å; N374-T394 PolarHBondContact ND2-OG1 2.04Å; G392-T394 PolarHBondContact O-N 2.78Å; G392-T394 VanDerWaalsContact O-N 3.17Å; T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 VanDerWaalsContact C-OE2 3.24Å; T394-E396 VanDerWaalsContact CA-OE2 3.32Å; T394-E396 WeakPolarHBondContact CA-OE2 3.02Å; T394-E396 PolarHBondContact N-OE2 3.28Å; T394-E396 PolarHBondContact O-N 3.24Å; T394-E396 PolarHBondContact OG1-OE2 3.4Å
395C95.7Very high84.4Confident1 Ų184 Ų841%0.00748%0.479CS..SBendtrans59.929.4-177.8-44.10000115.1C373 Q376 C386 G391 G392C373-C395 HydrophobicContact CB-CB 4.43Å; C373-C395 WeakPolarHBondContact O-CB 3.2Å; Q376-C395 HydrophobicContact CB-CB 3.9Å; C386-C395 WeakPolarHBondContact CA-SG 3.01Å; C386-C395 HydrophobicContact CB-CB 3.79Å; C386-C395 WeakPolarHBondContact CB-SG 3.32Å; C386-C395 WeakPolarHBondContact SG-CA 3.24Å; C386-C395 WeakPolarHBondContact SG-CB 3.5Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.01Å; G391-C395 CarbonylContact O-C 3.55Å; G391-C395 VanDerWaalsContact O-C 3.25Å; G391-C395 VanDerWaalsContact O-CA 3.23Å; G391-C395 WeakPolarHBondContact O-CA 3.06Å; G392-C395 PolarHBondContact O-N 3.27Å
396E93.2Very high81.8Confident89 Ų8990 Ų9042%0.41650%0.498SS..  trans-77-19.8-17967.5-81.9-168.700114.4N374 G391 P393 T394N374-E396 WeakPolarHBondContact ND2-CB 3.49Å; G391-E396 PolarHBondContact O-N 2.03Å; P393-E396 VanDerWaalsContact CD-OE1 3.29Å; P393-E396 WeakPolarHBondContact CD-OE1 3.32Å; T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 VanDerWaalsContact C-OE2 3.24Å; T394-E396 VanDerWaalsContact CA-OE2 3.32Å; T394-E396 WeakPolarHBondContact CA-OE2 3.02Å; T394-E396 PolarHBondContact N-OE2 3.28Å; T394-E396 PolarHBondContact O-N 3.24Å; T394-E396 PolarHBondContact OG1-OE2 3.4Å
397L92.1Very high79.3Confident95 Ų9597 Ų9750%0.49752%0.523SS..EExtended strand (participates in β ladder)trans-91.4111.7-176.6-57.5174.9000109.7Y390 G391 L399Y390-L397 CarbonylContact C-O 3.51Å; Y390-L397 VanDerWaalsContact CA-O 3.27Å; Y390-L397 WeakPolarHBondContact CA-O 3.45Å; G391-L397 PolarHBondContact N-O 3.3Å; G391-L397 WeakPolarHBondContact O-CB 3.05Å; G391-L397 PolarHBondContact O-N 3.1Å; L397-L399 HydrophobicContact CB-CD2 4.38Å; L397-L399 PolarHBondContact O-N 3.28Å
398C90.7Very high76.7Confident43 Ų4399.7 Ų99.729%0.29154%0.543SS..EExtended strand (participates in β ladder)trans-78.9109166.3179.60000109.3Y390 N400 C401Y390-C398 HydrophobicContact CD1-CB 4.32Å; Y390-C398 HydrophobicContact CE1-CB 4.02Å; C398-N400 VanDerWaalsContact C-N 3.28Å; C398-N400 PolarHBondContact O-N 3.26Å; C398-C401 HydrophobicContact CB-CB 3.62Å; C398-C401 WeakPolarHBondContact CB-SG 3.41Å; C398-C401 WeakPolarHBondContact SG-CB 3.28Å; C398-C401 PolarHBondContact SG-N 3.35Å; C398-C401 CovalentContact SG-SG 2.03Å; C398-C401 PolarHBondContact SG-SG 2.89Å
399L89.6Confident74.2Confident116 Ų116100.9 Ų100.961%0.60754%0.543SS*.THydrogen-bonded Turntrans-74.5-19.9-174.5-58.3177.2000112.9G389 L397G389-L399 WeakPolarHBondContact O-CB 3.31Å; G389-L399 PolarHBondContact O-N 3Å; L397-L399 HydrophobicContact CB-CD2 4.38Å; L397-L399 PolarHBondContact O-N 3.28Å
400N82.9Confident71.7Confident140 Ų140102.9 Ų102.975%0.74956%0.564SS**THydrogen-bonded Turntrans-114.116-178.2-64.4-17000113.1C398C398-N400 VanDerWaalsContact C-N 3.28Å; C398-N400 PolarHBondContact O-N 3.26Å
401C78Confident69.3Low75 Ų75107.6 Ų107.651%0.50759%0.594SS.*  trans-91.9109.1176.1-70.40000109.5C398 T403C398-C401 HydrophobicContact CB-CB 3.62Å; C398-C401 WeakPolarHBondContact CB-SG 3.41Å; C398-C401 WeakPolarHBondContact SG-CB 3.28Å; C398-C401 PolarHBondContact SG-N 3.35Å; C398-C401 CovalentContact SG-SG 2.03Å; C398-C401 PolarHBondContact SG-SG 2.89Å; C401-T403 PolarHBondContact O-N 2.64Å
402E63.8Low67Low181 Ų181112.7 Ų112.785%0.84662%0.618SS**  trans-65.1115.6167.9-65.6-178.716800108.3E404E402-E404 PolarHBondContact O-N 3.32Å
403T51.5Low64.8Low124 Ų124121.7 Ų121.776%0.76164%0.644SS**  trans-80.896.2176.940.50000108.7C401 T405C401-T403 PolarHBondContact O-N 2.64Å; T403-T405 VanDerWaalsContact C-N 3.34Å; T403-T405 PolarHBondContact O-N 3.31Å
404E47.7Very low62.5Low173 Ų173123.9 Ų123.981%0.80865%0.645SS**  trans-69.994.8166.3-69.1-168.8165.300108.8E402 E406E402-E404 PolarHBondContact O-N 3.32Å; E404-E406 PolarHBondContact O-N 3.46Å
405T41.8Very low59.8Low116 Ų116128 Ų12871%0.71267%0.67SS**  trans-85.888.1163.534.70000107.7T403T403-T405 VanDerWaalsContact C-N 3.34Å; T403-T405 PolarHBondContact O-N 3.31Å
406E43Very low57.1Low180 Ų180135.5 Ų135.584%0.84171%0.709SS**  trans-91.6112.1162.4-77.4-163.7155.900109.8E404E404-E406 PolarHBondContact O-N 3.46Å
407F41.8Very low54.4Low187 Ų187139.2 Ų139.282%0.8273%0.731SS**  trans-56.2129.4167.8-77.8-113.1000110.6
408T41.9Very low51.9Low141 Ų141139.2 Ų139.287%0.86574%0.737SS**  trans-123.8125147.444.90000108.3
409E41.3Very low49.8Very low194 Ų194145.7 Ų145.791%0.90776%0.763SS**  trans-67.1145-176.5-65.4171.5137.600111.8
410G41.5Very low47.4Very low66 Ų66148.9 Ų148.968%0.6877%0.772SS**  trans9492.1154.200000115
411D43.5Very low45.7Very low173 Ų173147.9 Ų147.993%0.92577%0.773SS**  -162126.3122.2-86.2-27.2000109.5
412D45.6Very low44.1Very low121 Ų121150.6 Ų150.665%0.64778%0.783SS**  trans-59.3143.8179.8-170.87.2000111.9
413Y45.1Very low43.1Very low220 Ų220149.9 Ų149.986%0.86378%0.779SS**  trans171.786.9140.9-85.3-63.7000109.9
414H46.8Very low42.8Very low148 Ų148150.8 Ų150.869%0.68578%0.778SS**  40.7114.6127.7-102.6-76.6000120.7
415T38.2Very low42.5Very low104 Ų104151.2 Ų151.264%0.63878%0.78SS**  53.6125.5127.145.90000118.5
416L40Very low42.2Very low159 Ų159154.1 Ų154.183%0.83279%0.785SS**  -173.9131.464.1-72167.7000109
417L35.4Very low42.2Very low167 Ų167154.7 Ų154.787%0.87479%0.786SS**  trans-84150.3141.9-73.4168.1000105.8
418P40.6Very low42Very low95 Ų95154 Ų15462%0.61779%0.785SS**  -158.5168.386.839.7-18.1000117.7
419E45.7Very low42Very low180 Ų180156.6 Ų156.684%0.84179%0.787SS**  trans78.6116.5139-77.2158.2-149.200121.8
420K40.4Very low42.2Very low182 Ų182153.6 Ų153.679%0.79178%0.782SS**  trans-78.2148154.8-136.7-175-174.4-171.70108.8
421P46.4Very low42Very low120 Ų120156 Ų15678%0.77979%0.786SS**  trans-135155.2133.414.77000114.1
422D43.8Very low42Very low132 Ų132157.1 Ų157.171%0.70679%0.786SS**  trans-77.2-179.9177.7-62.3-59.9000113.5
423E43.6Very low41.8Very low166 Ų166155.7 Ų155.778%0.77679%0.791SS**  trans99.398.5160.2-55.1-168.6152.500117
424I43.8Very low41.6Very low143 Ų143154.9 Ų154.973%0.73379%0.792SS**  76.8115.492.8-61.4155.7000111.6
425E41.6Very low41.5Very low182 Ų182153.7 Ų153.785%0.8580%0.797SS**  -177131.6114.9-92.8-168.1170.200111.3
426E36.5Very low41.6Very low176 Ų176157.7 Ų157.782%0.82281%0.806SS**  trans-74.1138.4174.1176.5177.5-146.900109.8
427F43Very low41.8Very low193 Ų193157.1 Ų157.185%0.84681%0.808SS**  trans-161.7130.8148-104.3-73.6000111.6
428E38.1Very low42.1Very low173 Ų173157.2 Ų157.281%0.80881%0.805SS**  trans-62145.5177.6-57.3171.2120.200112.8
429E42.1Very low42.1Very low194 Ų194159 Ų15991%0.90782%0.819SS**  trans-161.1146.9133.6-120.4169.7179.100113.7
430T44.9Very low41.7Very low131 Ų131154 Ų15480%0.80482%0.816SS**  trans-75.8177.8-162.929.90000117.1
431P37.3Very low41.8Very low118 Ų118149.4 Ų149.477%0.76681%0.812SS**  trans-99.7147.5-155.638.1-31.9000115.3
432E43.7Very low41.5Very low195 Ų195152.1 Ų152.191%0.91182%0.82SS**  trans-148.5149.7167.6-71.4-167.9135.400107.3
433A40.9Very low41.4Very low92 Ų92150.1 Ų150.176%0.7682%0.822SS**  cis-166.3151.3-8.900000106.3
434K40.4Very low41.5Very low203 Ų203149.6 Ų149.688%0.88383%0.83SS**PPolyproline II helixtrans-68.7151.2172.1-72.1177.3176178.70111.7
435P45.6Very low41.2Very low122 Ų122145.9 Ų145.979%0.79283%0.826SS**PPolyproline II helixtrans-94.4126.2153.731.9-23.4000111.2
436K40.4Very low41.2Very low189 Ų189145 Ų14582%0.82283%0.826SS**PPolyproline II helixtrans-72.5139.4159.9-81.9177.9173.1178.90109.1
437V43.3Very low41.5Very low146 Ų146143.6 Ų143.689%0.88582%0.824SS**  trans-106.4112.4159.9176.10000107.5
438E41.5Very low41.7Very low170 Ų170139.1 Ų139.179%0.79481%0.814SS**  trans-94.4159.3169.4-91.9-177.514500111.1
439S41.3Very low42Very low131 Ų131139.9 Ų139.992%0.91682%0.815SS**  trans94120.8146-167.50000118.5
440G37.2Very low42.1Very low75 Ų75137.5 Ų137.577%0.77381%0.807SS**  trans171.854.8167.200000113.2
441A42Very low41.7Very low87 Ų87139 Ų13972%0.71981%0.805SS**  trans-63.3148.2173.700000112.4
442N40.7Very low42Very low177 Ų177141.2 Ų141.295%0.94781%0.809SS**  trans-158.2127.2136.1-89.4-33.2000110.2
443A42.1Very low41.6Very low90 Ų90137.2 Ų137.274%0.74480%0.798SS**  trans-100.4-172.3-174.200000111.8
444V44.5Very low41.7Very low155 Ų155139.4 Ų139.494%0.93980%0.802SS**  trans105.6120.1167.9-168.80000112.2
445G38.7Very low41.6Very low64 Ų64137.4 Ų137.466%0.6680%0.8SS**  cis179134.40.900000111.3
446L40.4Very low41.3Very low163 Ų163136.3 Ų136.385%0.85380%0.801SS**  17.1134.1124.1-76169.2000117.3
447L44Very low41.3Very low147 Ų147133.2 Ų133.277%0.7780%0.798SS**  cis-172.8171.942-97148000111.6
448P47.6Very low41.3Very low100 Ų100133.7 Ų133.765%0.64980%0.795SS**  trans-104.2161.5-17040.2-32.7000115.2
449F42.9Very low41.1Very low188 Ų188132.3 Ų132.383%0.82579%0.792SS**  trans-150112.9167.8-78.8-83.3000109.1
450I44.5Very low41.7Very low145 Ų145133.5 Ų133.574%0.74479%0.787SS**  76.4115.484.5-65.3174.7000114.6
451E37.5Very low42.6Very low163 Ų163137.4 Ų137.476%0.76279%0.788SS**  trans19.3141.7150.4-57-159.915400122.7
452I42.8Very low43.2Very low164 Ų164136.4 Ų136.484%0.84179%0.786SS**  -159.3126.1119.7-89.3144.1000109.9
453V35.4Very low44.2Very low111 Ų111137.9 Ų137.967%0.67381%0.805SS**  trans-77.3140.1169.2169.20000110
454T43.5Very low44.3Very low138 Ų138140.3 Ų140.385%0.84781%0.808SS**  trans-151.9109.1148.37.70000111.5
455L36.8Very low44.3Very low160 Ų160139.5 Ų139.584%0.83880%0.802SS**  trans-68.4140.3159.4-82.6145000110.1
456A41.2Very low44.6Very low99 Ų99143.7 Ų143.782%0.81881%0.809SS**  trans-159.2110.5148.200000111.9
457T38.5Very low44.8Very low124 Ų124142.5 Ų142.576%0.76181%0.807SS**  trans-39.1151.6159.539.20000117.7
458L43.2Very low44.9Very low156 Ų156142.3 Ų142.382%0.81781%0.809SS**  trans172.7104.9132-90.6146.3000108.3
459L39.1Very low44.7Very low141 Ų141145.1 Ų145.174%0.73882%0.82SS**  60.7129.887.8-79.7166.7000115.5
460I53.6Low44.8Very low157 Ų157142 Ų14281%0.80582%0.819SS**  trans154.995.6147.1-75.7153.1000107.1
461I54.5Low44.8Very low157 Ų157141.8 Ų141.881%0.80583%0.825SS**  52.7104.785.3-49.7172.7000112.3
462G56Low45.5Very low66 Ų66140 Ų14068%0.6883%0.831SS**  134.8170.982.200000108.7
463P60.8Low45.7Very low207 Ų207137.8 Ų137.8100%1.34483%0.83SS**  cis-98016.938.7-34.6000115.9

Retrieved 463 of 463 residues in 814.3 ms (Link to these results)