A0A060WC41_ONCMY Loading...

SRR1-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WC41, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 317 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
1M46.8Very low35.5Very low235 Ų235158.5 Ų158.5100%1.15887%0.868SS**  0970-69.9-62.6-175.300108.4
2P36.1Very low35.2Very low125 Ų125165.4 Ų165.481%0.81287%0.872SS**  trans-142.2134.114228.8-9.7000113.7
3N34.8Very low34.8Very low170 Ų170171.5 Ų171.591%0.90988%0.876SS**  trans22.4100.3138.4-109.86.9000118
4S40.4Very low34.7Very low109 Ų109176.3 Ų176.376%0.76288%0.878SS**  trans-99.2102.1152.554.70000108.4E6S4-E6 PolarHBondContact O-N 2.82Å
5G35.8Very low34.6Very low76 Ų76178.5 Ų178.578%0.78488%0.88SS**  trans-70.3118.1164.200000108.9E7G5-E7 PolarHBondContact O-N 2.8Å
6E36Very low34.4Very low177 Ų177171.9 Ų171.983%0.82787%0.871SS**  trans-82.2110.8171.4-73-178.4141.700109.2S4S4-E6 PolarHBondContact O-N 2.82Å
7E34.3Very low34.4Very low181 Ų181167.5 Ų167.585%0.84687%0.868SS**  trans-63.6122.6164.8-96.3177.9153.400110G5 Q9G5-E7 PolarHBondContact O-N 2.8Å; E7-Q9 PolarHBondContact O-N 2.99Å
8W31Very low34.3Very low251 Ų251162.2 Ų162.295%0.95186%0.861SS**  trans-69.3111.2171-72.391.6000110.6
9Q33Very low34.3Very low183 Ų183166.9 Ų166.986%0.85587%0.865SS**  trans-86.7125166.5-74.3-153.3-2600111.5E7 A11E7-Q9 PolarHBondContact O-N 2.99Å; Q9-A11 PolarHBondContact O-N 2.87Å
10V32.2Very low34.4Very low138 Ų138170.8 Ų170.884%0.83687%0.868SS**  trans-71111.4176.2178.40000110.1R12V10-R12 PolarHBondContact O-N 2.8Å
11A29.9Very low34.2Very low98 Ų98165.7 Ų165.781%0.8186%0.859SS**  trans-70109.8173.400000110.9Q9 R13Q9-A11 PolarHBondContact O-N 2.87Å; A11-R13 PolarHBondContact O-N 2.87Å
12R31.7Very low33.5Very low242 Ų242164.4 Ų164.491%0.91385%0.847SS**  trans-65.4118.3170.8-83.1-179.6167.3-179-3.1110.4V10 R14V10-R12 PolarHBondContact O-N 2.8Å; R12-R14 PolarHBondContact O-N 3.03Å; R12-R14 VanDerWaalsContact O-N 3.17Å
13R30.5Very low33.6Very low245 Ų245165 Ų16593%0.92584%0.841SS**  trans-64.2107.8176.1-157177.1-174.3-174.41.8110.2A11 K15A11-R13 PolarHBondContact O-N 2.87Å; R13-K15 PolarHBondContact O-N 3.2Å
14R33.2Very low33.6Very low238 Ų238162.4 Ų162.490%0.89883%0.834SS**  trans-64.5125.7167.3-84.3-179.8169.7179-2.9108.7R12 G16R12-R14 PolarHBondContact O-N 3.03Å; R12-R14 VanDerWaalsContact O-N 3.17Å; R14-G16 PolarHBondContact O-N 2.64Å
15K33.7Very low33.2Very low210 Ų210166 Ų16691%0.91384%0.838SS**  trans-55.8106.3169.4-91.8178.4170.7178.40108.7R13R13-K15 PolarHBondContact O-N 3.2Å
16G31.8Very low33.3Very low72 Ų72168.3 Ų168.374%0.74284%0.837SS**PPolyproline II helixtrans-68.2128.1166.800000109.2R14 G18R14-G16 PolarHBondContact O-N 2.64Å; G16-G18 PolarHBondContact O-N 3.19Å
17A34.4Very low33.1Very low98 Ų98163.7 Ų163.781%0.8183%0.829SS**PPolyproline II helixtrans-54.7128.5173.600000109.9R19A17-R19 PolarHBondContact O-N 2.89Å
18G32.4Very low33.1Very low72 Ų72161 Ų16174%0.74283%0.829SS**PPolyproline II helixtrans-57.8127.7178.200000110.7G16 R20G16-G18 PolarHBondContact O-N 3.19Å; G18-R20 PolarHBondContact O-N 2.85Å; G18-R20 VanDerWaalsContact O-N 3.07Å
19R33.9Very low33.4Very low251 Ų251157.1 Ų157.195%0.94782%0.821SS**  trans-60.7109.2163.5-82.3177.6166.9179.3-4.3107.1A17 G21A17-R19 PolarHBondContact O-N 2.89Å; R19-G21 PolarHBondContact O-N 3.28Å; R19-G21 VanDerWaalsContact O-N 3.13Å
20R35.4Very low33.2Very low244 Ų244156.5 Ų156.592%0.92182%0.818SS**  trans-53.5116164.6-90.3177.6167.3177.1-5.6107.7G18 K22G18-R20 PolarHBondContact O-N 2.85Å; G18-R20 VanDerWaalsContact O-N 3.07Å; R20-K22 PolarHBondContact O-N 3.39Å
21G31.8Very low33.6Very low65 Ų65156.7 Ų156.767%0.6782%0.822SS**  trans-56.5133.9163.800000108.5R19 I23R19-G21 PolarHBondContact O-N 3.28Å; R19-G21 VanDerWaalsContact O-N 3.13Å; G21-I23 PolarHBondContact O-N 3.21Å; G21-I23 VanDerWaalsContact O-N 3.14Å
22K30.4Very low33.8Very low208 Ų208154.9 Ų154.990%0.90481%0.813SS**  trans-67.5109.5171.2-78.8176.5173.1-179.50107.4R20R20-K22 PolarHBondContact O-N 3.39Å
23I39.1Very low34.2Very low136 Ų136152 Ų15270%0.69781%0.81SS**  trans-63.7133.1165.2-54.8171.9000106.5G21 H25G21-I23 PolarHBondContact O-N 3.21Å; G21-I23 VanDerWaalsContact O-N 3.14Å; I23-H25 PolarHBondContact O-N 2.99Å
24P34.3Very low35.1Very low116 Ų116145.2 Ų145.275%0.75381%0.806SS**  trans-62119.3164.5-10.625000107T26P24-T26 PolarHBondContact O-N 3.11Å
25H32Very low36.2Very low186 Ų186141 Ų14186%0.86180%0.801SS**  trans-53.6104.2177.3-87.1-86.9000110.3I23 A27I23-H25 PolarHBondContact O-N 2.99Å; H25-A27 PolarHBondContact O-N 3.28Å; H25-A27 VanDerWaalsContact O-N 3.13Å
26T38.9Very low38.4Very low123 Ų123135.6 Ų135.676%0.75580%0.796SS**  trans-66.2100.3151.621.10000106.3P24 C28P24-T26 PolarHBondContact O-N 3.11Å; T26-C28 PolarHBondContact O-N 3.44Å
27A31.8Very low40.9Very low80 Ų80133.9 Ų133.966%0.66177%0.771SS**  trans-67104.3166.600000107.3H25 H29H25-A27 PolarHBondContact O-N 3.28Å; H25-A27 VanDerWaalsContact O-N 3.13Å; A27-H29 PolarHBondContact O-N 3.03Å
28C33.3Very low43.7Very low124 Ų124133.3 Ų133.384%0.83875%0.754SS**  trans-60.6103.9162.3-61.60000107.4T26 E30T26-C28 PolarHBondContact O-N 3.44Å; C28-E30 PolarHBondContact O-N 3.49Å
29H37.3Very low46.7Very low171 Ų171131.6 Ų131.679%0.79273%0.729SS**  trans-75.6116.6166.6-103.5-83.3000108.1A27A27-H29 PolarHBondContact O-N 3.03Å
30E29.1Very low49.6Very low170 Ų170124.7 Ų124.779%0.79471%0.711SS**  trans-64.6142.5160.9-69.7-151.2153.100109.6C28 G32C28-E30 PolarHBondContact O-N 3.49Å; E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.41Å
31P39.8Very low52.5Low141 Ų141120.4 Ų120.492%0.91670%0.695SS**SBendtrans-78.180.6178.331.7-31.9000109.6
32G35.8Very low55.6Low61 Ų61117.7 Ų117.763%0.62967%0.666SS**SBendtrans-162.9104.6175.900000110.1E30E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.41Å
33H39.1Very low58.8Low182 Ų182110.2 Ų110.284%0.84363%0.633SS**  trans71.780.2-170.4-84.8-1.9000115.4D35H33-D35 PolarHBondContact O-N 3.34Å; H33-D35 VanDerWaalsContact O-N 3.15Å
34A50.3Low61.6Low101 Ų101109 Ų10984%0.83562%0.624SS**  trans-66.4104.615200000107.7A36A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å
35D56.4Low64.6Low150 Ų150107 Ų10780%0.80260%0.602SS**PPolyproline II helixtrans-52119.2159.1-91.4-26000106.7H33 V37H33-D35 PolarHBondContact O-N 3.34Å; H33-D35 VanDerWaalsContact O-N 3.15Å; D35-V37 PolarHBondContact O-N 3.23Å
36A79.3Confident67.8Low97 Ų9798.2 Ų98.280%0.80256%0.561SS**PPolyproline II helixtrans-57.1118.8179.500000108.2A34 D38A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å; A36-D38 PolarHBondContact O-N 3.18Å; A36-D38 VanDerWaalsContact O-N 3.09Å
37V84.7Confident70.6Confident36 Ų3696.6 Ų96.622%0.21855%0.551CS.*PPolyproline II helixtrans-58.7119177.8175.90000108D35 T39D35-V37 PolarHBondContact O-N 3.23Å; V37-T39 PolarHBondContact O-N 3.44Å
38D93.2Very high73.8Confident85 Ų8597.7 Ų97.746%0.45554%0.543SS..  trans-69.197.2170.3-177.1-20.2000108.3A36 D40 R41 T42A36-D38 PolarHBondContact O-N 3.18Å; A36-D38 VanDerWaalsContact O-N 3.09Å; D38-D40 PolarHBondContact OD1-N 3.11Å; D38-R41 HydrophobicContact CB-CB 3.98Å; D38-R41 WeakPolarHBondContact OD1-CB 3.43Å; D38-R41 PolarHBondContact OD1-N 3.3Å; D38-R41 VanDerWaalsContact OD2-CB 3.3Å; D38-R41 WeakPolarHBondContact OD2-CB 3.28Å; D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.3Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 PolarHBondContact O-OG1 3.11Å
39T94.2Very high76.9Confident36 Ų3692.3 Ų92.322%0.22151%0.506CS..Hα-helixtrans-65.4-39.6-173.356.10000111.3V37 T42 K43 V154V37-T39 PolarHBondContact O-N 3.44Å; T39-T42 PolarHBondContact O-N 3.13Å; T39-K43 VanDerWaalsContact O-CE 3.32Å; T39-K43 WeakPolarHBondContact O-CE 3.35Å; T39-K43 WeakPolarHBondContact O-CG 3.47Å; T39-K43 PolarHBondContact O-N 3.29Å; T39-V154 HydrophobicContact CG2-CG2 3.84Å
40D94.9Very high79.8Confident106 Ų10685.4 Ų85.457%0.56747%0.474SS*.Hα-helixtrans-68.1-47.3179.7-72.3-25.8000111.5D38 T42 K43 Q44D38-D40 PolarHBondContact OD1-N 3.11Å; D40-T42 VanDerWaalsContact C-N 3.27Å; D40-T42 PolarHBondContact O-N 3.38Å; D40-K43 PolarHBondContact O-N 2.68Å; D40-K43 WeakPolarHBondContact OD1-CE 2.91Å; D40-K43 IonicContact OD1-NZ 2.86Å; D40-K43 PolarHBondContact OD1-NZ 3.42Å; D40-Q44 PolarHBondContact O-N 2.78Å
41R96.3Very high83.1Confident155 Ų15579.6 Ų79.659%0.58546%0.455SS*.Hα-helixtrans-62.8-36174.7-173.5177.8-178.7-168.50.4112.1D38 Q44 R45D38-R41 HydrophobicContact CB-CB 3.98Å; D38-R41 WeakPolarHBondContact OD1-CB 3.43Å; D38-R41 PolarHBondContact OD1-N 3.3Å; D38-R41 VanDerWaalsContact OD2-CB 3.3Å; D38-R41 WeakPolarHBondContact OD2-CB 3.28Å; R41-Q44 PolarHBondContact O-N 3.14Å; R41-R45 VanDerWaalsContact O-CG 3.29Å; R41-R45 WeakPolarHBondContact O-CG 3.33Å; R41-R45 PolarHBondContact O-N 3.18Å
42T97.1Very high85.8Confident8 Ų876.1 Ų76.15%0.04943%0.427CS..Hα-helixtrans-66-46.9177.4-59.90000111.1D38 T39 D40 Q44 R45 I46 F113 V154D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.3Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 PolarHBondContact O-OG1 3.11Å; T39-T42 PolarHBondContact O-N 3.13Å; D40-T42 VanDerWaalsContact C-N 3.27Å; D40-T42 PolarHBondContact O-N 3.38Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 2.95Å; T42-R45 PolarHBondContact O-N 2.68Å; T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.27Å; T42-I46 PolarHBondContact O-N 3.06Å; T42-F113 HydrophobicContact CG2-CD2 3.83Å; T42-F113 HydrophobicContact CG2-CE2 3.73Å; T42-V154 HydrophobicContact CG2-CG1 4.34Å; T42-V154 HydrophobicContact CG2-CG2 4.34Å
43K97.4Very high88.7Confident50 Ų5073.2 Ų73.222%0.21740%0.397CS..Hα-helixtrans-59.1-41.8173.9-73.5176.5-60.4-173.60112.2T39 D40 I46 T47 V154T39-K43 VanDerWaalsContact O-CE 3.32Å; T39-K43 WeakPolarHBondContact O-CE 3.35Å; T39-K43 WeakPolarHBondContact O-CG 3.47Å; T39-K43 PolarHBondContact O-N 3.29Å; D40-K43 PolarHBondContact O-N 2.68Å; D40-K43 WeakPolarHBondContact OD1-CE 2.91Å; D40-K43 IonicContact OD1-NZ 2.86Å; D40-K43 PolarHBondContact OD1-NZ 3.42Å; K43-I46 PolarHBondContact O-N 3.04Å; K43-T47 PolarHBondContact O-N 3.41Å; K43-T47 PolarHBondContact O-OG1 3.15Å; K43-V154 HydrophobicContact CG-CG1 3.87Å
44Q97.9Very high91.5Very high110 Ų11069.2 Ų69.251%0.51437%0.374SS..Hα-helixtrans-58.8-50.2176-177.3-176.1-9.600111D40 R41 T42 I46 T47 E48D40-Q44 PolarHBondContact O-N 2.78Å; R41-Q44 PolarHBondContact O-N 3.14Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 2.95Å; Q44-I46 VanDerWaalsContact C-N 3.31Å; Q44-I46 PolarHBondContact O-N 2.98Å; Q44-T47 WeakPolarHBondContact O-CB 3.23Å; Q44-T47 PolarHBondContact O-N 2.78Å; Q44-T47 VanDerWaalsContact O-N 3.12Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 2.99Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.27Å
45R98.3Very high93.6Very high76 Ų7669.3 Ų69.329%0.28737%0.368SS..Hα-helixtrans-61.6-38.5179.2-68.4168.180-167.810112.1R41 T42 T47 E48 T49 S114 R120R41-R45 VanDerWaalsContact O-CG 3.29Å; R41-R45 WeakPolarHBondContact O-CG 3.33Å; R41-R45 PolarHBondContact O-N 3.18Å; T42-R45 PolarHBondContact O-N 2.68Å; R45-T47 VanDerWaalsContact C-N 3.35Å; R45-E48 PolarHBondContact O-N 2.93Å; R45-T49 WeakPolarHBondContact O-CB 3.07Å; R45-T49 PolarHBondContact O-N 3.47Å; R45-T49 PolarHBondContact O-OG1 2.96Å; R45-S114 PolarHBondContact NH1-O 2.9Å; R45-R120 VanDerWaalsContact CZ-NH1 3.31Å; R45-R120 VanDerWaalsContact NH2-CZ 3.3Å
46I98.4Very high95.4Very high1 Ų162.9 Ų62.91%0.00534%0.335CS..Hα-helixtrans-61.4-46.2174.8-67.8161.6000110.1T42 K43 Q44 E48 T49 M50 F113 R120 L123 L127 V154 L158T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.27Å; T42-I46 PolarHBondContact O-N 3.06Å; K43-I46 PolarHBondContact O-N 3.04Å; Q44-I46 VanDerWaalsContact C-N 3.31Å; Q44-I46 PolarHBondContact O-N 2.98Å; I46-E48 PolarHBondContact O-N 3.13Å; I46-T49 PolarHBondContact O-N 3.24Å; I46-M50 HydrophobicContact CG2-CG 4.46Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.47Å; I46-M50 PolarHBondContact O-N 3.35Å; I46-F113 HydrophobicContact CD1-CD2 4.05Å; I46-F113 HydrophobicContact CD1-CE2 4.1Å; I46-R120 HydrophobicContact CG1-CG 3.94Å; I46-L123 HydrophobicContact CD1-CD2 3.69Å; I46-L123 HydrophobicContact CG1-CD2 4.23Å; I46-L127 HydrophobicContact CG2-CD1 3.74Å; I46-V154 HydrophobicContact CD1-CG1 3.96Å; I46-L158 HydrophobicContact CD1-CD1 4.21Å
47T98.2Very high96.1Very high88 Ų8864.6 Ų64.654%0.5433%0.331SS..Hα-helixtrans-61.8-43.7179.6-55.50000111.7K43 Q44 R45 M50 A51K43-T47 PolarHBondContact O-N 3.41Å; K43-T47 PolarHBondContact O-OG1 3.15Å; Q44-T47 WeakPolarHBondContact O-CB 3.23Å; Q44-T47 PolarHBondContact O-N 2.78Å; Q44-T47 VanDerWaalsContact O-N 3.12Å; R45-T47 VanDerWaalsContact C-N 3.35Å; T47-M50 PolarHBondContact O-N 3.35Å; T47-A51 PolarHBondContact O-N 3.47Å
48E98.4Very high96.7Very high104 Ų10463.6 Ų63.649%0.48632%0.324SS..Hα-helixtrans-60.6-44.9174.7-70.5167.5-179.200111.4Q44 R45 I46 A51 E52Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 2.99Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.27Å; R45-E48 PolarHBondContact O-N 2.93Å; I46-E48 PolarHBondContact O-N 3.13Å; E48-A51 PolarHBondContact O-N 2.94Å; E48-E52 PolarHBondContact O-N 2.94Å
49T98.4Very high96.8Very high10 Ų1060 Ų606%0.06130%0.304CS..Hα-helixtrans-64.5-39.3176.6-56.70000112.3R45 I46 E52 L53 Y121 A124R45-T49 WeakPolarHBondContact O-CB 3.07Å; R45-T49 PolarHBondContact O-N 3.47Å; R45-T49 PolarHBondContact O-OG1 2.96Å; I46-T49 PolarHBondContact O-N 3.24Å; T49-E52 PolarHBondContact O-N 3.25Å; T49-L53 HydrophobicContact CG2-CD1 4.26Å; T49-L53 WeakPolarHBondContact O-CG 3.26Å; T49-L53 PolarHBondContact O-N 3.43Å; T49-Y121 HydrophobicContact CG2-CD1 3.47Å; T49-Y121 VanDerWaalsContact CG2-CD1 3.47Å; T49-Y121 HydrophobicContact CG2-CD2 3.8Å; T49-Y121 HydrophobicContact CG2-CE1 3.65Å; T49-Y121 HydrophobicContact CG2-CE2 3.99Å; T49-Y121 HydrophobicContact CG2-CG 3.54Å; T49-A124 HydrophobicContact CG2-CB 3.63Å
50M98.3Very high96.9Very high27 Ų2762.1 Ų62.113%0.13331%0.31CS..Hα-helixtrans-62-43.7173.6-73-178.872.900111.8I46 T47 E52 L53 R54 A124 L127 L128I46-M50 HydrophobicContact CG2-CG 4.46Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.47Å; I46-M50 PolarHBondContact O-N 3.35Å; T47-M50 PolarHBondContact O-N 3.35Å; M50-E52 VanDerWaalsContact C-N 3.32Å; M50-E52 PolarHBondContact O-N 3.05Å; M50-L53 PolarHBondContact O-N 3.46Å; M50-R54 VanDerWaalsContact O-CB 3.3Å; M50-R54 WeakPolarHBondContact O-CB 3.3Å; M50-R54 PolarHBondContact O-N 2.84Å; M50-A124 HydrophobicContact CB-CB 4.43Å; M50-A124 HydrophobicContact CG-CB 3.6Å; M50-L127 HydrophobicContact CE-CB 3.55Å; M50-L127 HydrophobicContact SD-CB 3.76Å; M50-L127 HydrophobicContact SD-CD1 3.64Å; M50-L127 HydrophobicContact SD-CG 4.37Å; M50-L128 HydrophobicContact CE-CD2 3.92Å; M50-L128 HydrophobicContact CE-CG 4.1Å
51A98.1Very high96.9Very high48 Ų4861.6 Ų61.640%0.39730%0.304SS..Hα-helixtrans-62.5-40.5178.300000111.8T47 E48T47-A51 PolarHBondContact O-N 3.47Å; E48-A51 PolarHBondContact O-N 2.94Å
52E97.1Very high97Very high67 Ų6754.2 Ų54.231%0.31328%0.276SS..Hα-helixtrans-61.6-50174.5-170.5-160.9141.700112E48 T49 M50 R54 C55 Y121 R248E48-E52 PolarHBondContact O-N 2.94Å; T49-E52 PolarHBondContact O-N 3.25Å; M50-E52 VanDerWaalsContact C-N 3.32Å; M50-E52 PolarHBondContact O-N 3.05Å; E52-R54 PolarHBondContact O-N 2.77Å; E52-C55 PolarHBondContact O-N 3.19Å; E52-Y121 PolarHBondContact OE1-OH 3.21Å; E52-Y121 PolarHBondContact OE2-OH 2.92Å; E52-R248 IonicContact OE1-CZ 2.61Å; E52-R248 VanDerWaalsContact OE1-CZ 3.23Å; E52-R248 IonicContact OE1-NH1 2.74Å; E52-R248 PolarHBondContact OE1-NH1 2.97Å; E52-R248 IonicContact OE1-NH2 3.78Å; E52-R248 PolarHBondContact OE1-NH2 2.74Å
53L97.6Very high96.9Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-64.4-39.1-178.8-74.3176.1000112.4T49 M50 C55 A56 F58 W59 Y121 A124 M125 L128 L249 F253T49-L53 HydrophobicContact CG2-CD1 4.26Å; T49-L53 WeakPolarHBondContact O-CG 3.26Å; T49-L53 PolarHBondContact O-N 3.43Å; M50-L53 PolarHBondContact O-N 3.46Å; L53-C55 PolarHBondContact O-N 2.82Å; L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 3.24Å; L53-F58 HydrophobicContact CD2-CE1 4.17Å; L53-F58 HydrophobicContact CD2-CZ 3.74Å; L53-W59 WeakPolarHBondContact O-CB 3.32Å; L53-Y121 HydrophobicContact CD1-CD1 4.14Å; L53-Y121 HydrophobicContact CD2-CD1 3.99Å; L53-Y121 HydrophobicContact CD2-CE1 4.32Å; L53-Y121 HydrophobicContact CG-CD1 4.11Å; L53-Y121 HydrophobicContact CG-CE1 4.44Å; L53-A124 HydrophobicContact CD1-CB 3.86Å; L53-M125 HydrophobicContact CD1-CB 4.16Å; L53-M125 HydrophobicContact CD1-CE 4.23Å; L53-M125 HydrophobicContact CD2-CE 4.09Å; L53-L128 HydrophobicContact CB-CD1 3.52Å; L53-L128 HydrophobicContact CD1-CD1 4.39Å; L53-L249 HydrophobicContact CD2-CD1 4.19Å; L53-F253 HydrophobicContact CD1-CZ 4.4Å; L53-F253 HydrophobicContact CD2-CE2 4.02Å; L53-F253 HydrophobicContact CD2-CZ 4.37Å
54R96.6Very high96.8Very high99 Ų9959.9 Ų59.937%0.37430%0.302SS..Hα-helixtrans-60.8-29.5-179.7-171.5-179.8-75.4124.9-9112.7M50 E52 L128 E131M50-R54 VanDerWaalsContact O-CB 3.3Å; M50-R54 WeakPolarHBondContact O-CB 3.3Å; M50-R54 PolarHBondContact O-N 2.84Å; E52-R54 PolarHBondContact O-N 2.77Å; R54-L128 HydrophobicContact CB-CD1 4.49Å; R54-L128 HydrophobicContact CB-CD2 4.14Å; R54-L128 HydrophobicContact CG-CD2 4.44Å; R54-E131 IonicContact CZ-OE2 2.99Å; R54-E131 IonicContact NE-OE2 3.7Å; R54-E131 IonicContact NH2-OE1 2.66Å; R54-E131 PolarHBondContact NH2-OE1 3.39Å; R54-E131 IonicContact NH2-OE2 2.94Å; R54-E131 PolarHBondContact NH2-OE2 2.92Å
55C94.2Very high96.6Very high103 Ų10359 Ų5970%0.69629%0.294SS*.THydrogen-bonded Turntrans-90.3-3.4178.5-65.60000113.5E52 L53E52-C55 PolarHBondContact O-N 3.19Å; L53-C55 PolarHBondContact O-N 2.82Å
56A95.2Very high96.4Very high15 Ų1555.7 Ų55.712%0.12428%0.282CS..SBendtrans-84.4135.5-176.700000111.5L53 F58 W59L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 3.24Å; A56-F58 VanDerWaalsContact C-N 3.28Å; A56-F58 HydrophobicContact CB-CD1 3.59Å; A56-F58 HydrophobicContact CB-CE1 3.47Å; A56-F58 VanDerWaalsContact CB-CE1 3.47Å; A56-F58 PolarHBondContact O-N 3.02Å; A56-W59 VanDerWaalsContact O-CB 3.29Å; A56-W59 WeakPolarHBondContact O-CB 3.48Å; A56-W59 PolarHBondContact O-N 2.85Å
57D94.4Very high96.1Very high132 Ų13257.5 Ų57.571%0.70629%0.293SS*.Hα-helixtrans-56.5-41.2-174.4-63.6-32.9000113.4W59 F60D57-W59 PolarHBondContact O-N 2.86Å; D57-F60 WeakPolarHBondContact O-CD2 3.39Å; D57-F60 PolarHBondContact O-N 3.03Å; D57-F60 VanDerWaalsContact O-N 3.12Å
58F95.8Very high95.7Very high15 Ų1555.9 Ų55.97%0.06629%0.289CS..Hα-helixtrans-63-24.9-178.882.6-82.9000113L53 A56 F60 E61 W62 M125 P244 P246 L249 F253L53-F58 HydrophobicContact CD2-CE1 4.17Å; L53-F58 HydrophobicContact CD2-CZ 3.74Å; A56-F58 VanDerWaalsContact C-N 3.28Å; A56-F58 HydrophobicContact CB-CD1 3.59Å; A56-F58 HydrophobicContact CB-CE1 3.47Å; A56-F58 VanDerWaalsContact CB-CE1 3.47Å; A56-F58 PolarHBondContact O-N 3.02Å; F58-F60 VanDerWaalsContact C-N 3.33Å; F58-F60 PolarHBondContact O-N 3.18Å; F58-E61 PolarHBondContact O-N 2.83Å; F58-W62 AromaticContact CD2-CD1 3.91Å; F58-W62 AromaticContact CD2-NE1 3.54Å; F58-W62 HydrophobicContact CE2-CZ2 4.45Å; F58-W62 PolarHBondContact O-N 2.83Å; F58-W62 VanDerWaalsContact O-N 3.15Å; F58-M125 HydrophobicContact CE2-CE 3.58Å; F58-M125 HydrophobicContact CZ-CE 3.77Å; F58-P244 HydrophobicContact CB-CB 4.31Å; F58-P244 HydrophobicContact CB-CG 4.21Å; F58-P244 WeakPolarHBondContact CD2-O 3.46Å; F58-P246 HydrophobicContact CD1-CG 3.79Å; F58-P246 HydrophobicContact CE1-CG 3.89Å; F58-P246 HydrophobicContact CG-CG 4.32Å; F58-P246 HydrophobicContact CZ-CG 4.49Å; F58-L249 HydrophobicContact CE1-CD1 3.79Å; F58-L249 HydrophobicContact CZ-CD1 3.78Å; F58-F253 HydrophobicContact CE2-CD2 4.22Å; F58-F253 HydrophobicContact CE2-CE2 4.41Å; F58-F253 HydrophobicContact CZ-CD2 4.15Å; F58-F253 HydrophobicContact CZ-CE2 4.05Å
59W97Very high95.2Very high10 Ų1052 Ų524%0.03827%0.272CS..Hα-helixtrans-64.5-38176.4168.4-118.6000111.6L53 A56 D57 E61 W62 R63 M125 L128 I129L53-W59 WeakPolarHBondContact O-CB 3.32Å; A56-W59 VanDerWaalsContact O-CB 3.29Å; A56-W59 WeakPolarHBondContact O-CB 3.48Å; A56-W59 PolarHBondContact O-N 2.85Å; D57-W59 PolarHBondContact O-N 2.86Å; W59-E61 VanDerWaalsContact C-N 3.28Å; W59-E61 PolarHBondContact O-N 2.89Å; W59-W62 HydrophobicContact CE3-CB 3.95Å; W59-W62 HydrophobicContact CZ3-CB 4.15Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 2.92Å; W59-R63 HydrophobicContact CZ2-CB 4.24Å; W59-R63 HydrophobicContact CZ2-CG 4.29Å; W59-R63 VanDerWaalsContact O-CB 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.75Å; W59-M125 HydrophobicContact CE3-CE 4.22Å; W59-M125 HydrophobicContact CE3-SD 3.48Å; W59-M125 HydrophobicContact CZ3-SD 3.48Å; W59-M125 WeakPolarHBondContact CZ3-SD 3.3Å; W59-L128 HydrophobicContact CD2-CD1 4.47Å; W59-L128 VanDerWaalsContact CH2-C 3.48Å; W59-L128 HydrophobicContact CH2-CB 3.67Å; W59-L128 WeakPolarHBondContact CH2-O 2.94Å; W59-L128 HydrophobicContact CZ2-CB 3.66Å; W59-L128 WeakPolarHBondContact CZ2-O 3.04Å; W59-L128 HydrophobicContact CZ3-CB 4.17Å; W59-I129 HydrophobicContact CH2-CG1 3.91Å; W59-I129 HydrophobicContact CZ3-CG1 3.83Å
60F95.4Very high94.6Very high81 Ų8153 Ų5336%0.35528%0.281SS..Hα-helixtrans-61.6-39.6177.5-60.4-67.9000111.4D57 F58 R63 D64D57-F60 WeakPolarHBondContact O-CD2 3.39Å; D57-F60 PolarHBondContact O-N 3.03Å; D57-F60 VanDerWaalsContact O-N 3.12Å; F58-F60 VanDerWaalsContact C-N 3.33Å; F58-F60 PolarHBondContact O-N 3.18Å; F60-R63 PolarHBondContact O-N 3.41Å; F60-D64 WeakPolarHBondContact O-CB 3.44Å; F60-D64 PolarHBondContact O-N 3.17Å
61E95.4Very high93.7Very high95 Ų9558.6 Ų58.644%0.44431%0.305SS..Hα-helixtrans-65.2-40.9175.3-67.5-172.1-117.600112.7F58 W59 R65 P244F58-E61 PolarHBondContact O-N 2.83Å; W59-E61 VanDerWaalsContact C-N 3.28Å; W59-E61 PolarHBondContact O-N 2.89Å; E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.16Å; E61-P244 HydrophobicContact CB-CG 3.74Å; E61-P244 HydrophobicContact CG-CG 4.39Å
62W97Very high92.3Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-60.5-52.2174-77.844.8000110.4F58 W59 D64 R65 L66 M125 I129 I208 L243 P244 F253 T256F58-W62 AromaticContact CD2-CD1 3.91Å; F58-W62 AromaticContact CD2-NE1 3.54Å; F58-W62 HydrophobicContact CE2-CZ2 4.45Å; F58-W62 PolarHBondContact O-N 2.83Å; F58-W62 VanDerWaalsContact O-N 3.15Å; W59-W62 HydrophobicContact CE3-CB 3.95Å; W59-W62 HydrophobicContact CZ3-CB 4.15Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 2.92Å; W62-D64 VanDerWaalsContact C-N 3.34Å; W62-D64 PolarHBondContact O-N 3.41Å; W62-R65 PolarHBondContact O-N 3.26Å; W62-L66 WeakPolarHBondContact O-CB 3.3Å; W62-L66 WeakPolarHBondContact O-CG 3.39Å; W62-L66 PolarHBondContact O-N 3.38Å; W62-M125 HydrophobicContact CD2-SD 4.48Å; W62-M125 HydrophobicContact CE3-CE 4.24Å; W62-M125 HydrophobicContact CE3-CG 4.13Å; W62-M125 HydrophobicContact CE3-SD 3.76Å; W62-M125 HydrophobicContact CH2-CG 4.4Å; W62-M125 HydrophobicContact CZ3-CE 4.25Å; W62-M125 HydrophobicContact CZ3-CG 3.67Å; W62-M125 HydrophobicContact CZ3-SD 3.91Å; W62-I129 HydrophobicContact CE3-CD1 4.42Å; W62-I129 HydrophobicContact CZ3-CD1 4.42Å; W62-I208 HydrophobicContact CZ3-CG2 4.34Å; W62-L243 HydrophobicContact CD2-CB 4.17Å; W62-L243 HydrophobicContact CD2-CD1 3.9Å; W62-L243 HydrophobicContact CD2-CD2 4.34Å; W62-L243 HydrophobicContact CD2-CG 4.37Å; W62-L243 HydrophobicContact CE3-CD1 3.91Å; W62-L243 HydrophobicContact CG-CD2 4.13Å; W62-L243 HydrophobicContact CH2-CD1 4.16Å; W62-L243 HydrophobicContact CZ2-CB 3.73Å; W62-L243 HydrophobicContact CZ2-CD1 4.15Å; W62-L243 HydrophobicContact CZ3-CD1 4.03Å; W62-P244 PolarHBondContact NE1-O 3.14Å; W62-F253 HydrophobicContact CH2-CD1 4.03Å; W62-F253 HydrophobicContact CH2-CG 4.41Å; W62-F253 HydrophobicContact CZ2-CB 4.31Å; W62-F253 HydrophobicContact CZ2-CG 4.48Å; W62-T256 HydrophobicContact CH2-CG2 3.71Å; W62-T256 HydrophobicContact CZ2-CG2 4.12Å
63R95.8Very high90.6Very high86 Ų8661.7 Ų61.733%0.32532%0.321SS..Hα-helixtrans-55-48.1-178.9-169-160.860.4-164.1-8112.1W59 F60 L66 T67 S132W59-R63 HydrophobicContact CZ2-CB 4.24Å; W59-R63 HydrophobicContact CZ2-CG 4.29Å; W59-R63 VanDerWaalsContact O-CB 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.75Å; F60-R63 PolarHBondContact O-N 3.41Å; R63-L66 PolarHBondContact O-N 3.45Å; R63-T67 VanDerWaalsContact O-CB 3.3Å; R63-T67 WeakPolarHBondContact O-CB 3.5Å; R63-T67 PolarHBondContact O-N 2.93Å; R63-T67 PolarHBondContact O-OG1 2.93Å; R63-S132 WeakPolarHBondContact CG-OG 3.24Å
64D94.7Very high88.4Confident90 Ų9065.2 Ų65.248%0.48135%0.345SS..Hα-helixtrans-67.2-40.5-177-68.4-2.4000110.8F60 W62 A68F60-D64 WeakPolarHBondContact O-CB 3.44Å; F60-D64 PolarHBondContact O-N 3.17Å; W62-D64 VanDerWaalsContact C-N 3.34Å; W62-D64 PolarHBondContact O-N 3.41Å; D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.43Å
65R94.3Very high85.9Confident93 Ų9363.6 Ų63.635%0.35135%0.348SS..Hα-helixtrans-64.3-47.3174.9-72.5174.1-173.9-94.82.9112.3E61 W62 T67 A68 V69 L258E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.16Å; W62-R65 PolarHBondContact O-N 3.26Å; R65-T67 VanDerWaalsContact C-N 3.33Å; R65-T67 PolarHBondContact O-N 2.86Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.92Å; R65-V69 PolarHBondContact O-N 2.89Å; R65-L258 HydrophobicContact CB-CD2 4.3Å
66L94.1Very high83.2Confident5 Ų567.9 Ų67.93%0.02636%0.358CS..Hα-helixtrans-62.4-42.9179.9-70.5168.2000111.4W62 R63 A68 V69 A70 I129 L133 I208 L258W62-L66 WeakPolarHBondContact O-CB 3.3Å; W62-L66 WeakPolarHBondContact O-CG 3.39Å; W62-L66 PolarHBondContact O-N 3.38Å; R63-L66 PolarHBondContact O-N 3.45Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.27Å; L66-V69 PolarHBondContact O-N 2.89Å; L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.92Å; L66-I129 HydrophobicContact CD1-CD1 4.38Å; L66-I129 HydrophobicContact CD1-CG1 3.83Å; L66-I129 HydrophobicContact CD1-CG2 4.1Å; L66-L133 HydrophobicContact CB-CD1 4.48Å; L66-L133 HydrophobicContact CB-CD2 4.08Å; L66-I208 HydrophobicContact CD1-CD1 4.2Å; L66-I208 HydrophobicContact CD2-CD1 3.52Å; L66-I208 HydrophobicContact CD2-CG1 4.03Å; L66-L258 HydrophobicContact CD2-CD1 3.71Å; L66-L258 HydrophobicContact CD2-CD2 4.04Å; L66-L258 HydrophobicContact CD2-CG 4.48Å
67T91.6Very high80.7Confident40 Ų4073.9 Ų73.925%0.24539%0.392CS..Hα-helixtrans-65.4-37.6177.1-56.10000111.5R63 R65 K71R63-T67 VanDerWaalsContact O-CB 3.3Å; R63-T67 WeakPolarHBondContact O-CB 3.5Å; R63-T67 PolarHBondContact O-N 2.93Å; R63-T67 PolarHBondContact O-OG1 2.93Å; R65-T67 VanDerWaalsContact C-N 3.33Å; R65-T67 PolarHBondContact O-N 2.86Å; T67-K71 HydrophobicContact CG2-CD 4.21Å; T67-K71 WeakPolarHBondContact O-CB 3.07Å; T67-K71 VanDerWaalsContact O-CG 3.27Å; T67-K71 WeakPolarHBondContact O-CG 3.47Å; T67-K71 PolarHBondContact O-N 3.04Å; T67-K71 VanDerWaalsContact O-N 3.11Å
68A90.8Very high77.9Confident54 Ų5471.1 Ų71.145%0.44640%0.395SS..Hα-helixtrans-63.6-44.4176.100000111.7D64 R65 L66 K71 V72D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.43Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.92Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.27Å; A68-K71 PolarHBondContact O-N 3.45Å; A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 2.8Å
69V87.6Confident75.1Confident23 Ų2373.6 Ų73.614%0.13943%0.425CS..Hα-helixtrans-63.5-48.9176.5168.40000111.3R65 L66 K71 V72 D73 T206 L258 T260R65-V69 PolarHBondContact O-N 2.89Å; L66-V69 PolarHBondContact O-N 2.89Å; V69-K71 PolarHBondContact O-N 2.96Å; V69-V72 PolarHBondContact O-N 2.85Å; V69-V72 VanDerWaalsContact O-N 3.09Å; V69-D73 PolarHBondContact O-N 2.85Å; V69-T206 HydrophobicContact CG1-CG2 4.3Å; V69-L258 HydrophobicContact CB-CD2 4.38Å; V69-L258 HydrophobicContact CG2-CD2 3.69Å; V69-L258 HydrophobicContact CG2-CG 4.5Å; V69-T260 HydrophobicContact CG1-CG2 3.63Å; V69-T260 HydrophobicContact CG2-CG2 4.34Å
70A85.3Confident72.1Confident30 Ų3080.7 Ų80.725%0.24846%0.463CS..Hα-helixtrans-60.6-30.4-179.600000113.6L66 S74 L133L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.92Å; A70-S74 PolarHBondContact O-OG 3.24Å; A70-L133 HydrophobicContact CB-CD2 3.99Å
71K79.3Confident69.8Low145 Ų14582.1 Ų82.163%0.6348%0.481SS*.Hα-helixtrans-74.5-35.9175.6-76.5176179.1-179.80113.3T67 A68 V69 D73 S74T67-K71 HydrophobicContact CG2-CD 4.21Å; T67-K71 WeakPolarHBondContact O-CB 3.07Å; T67-K71 VanDerWaalsContact O-CG 3.27Å; T67-K71 WeakPolarHBondContact O-CG 3.47Å; T67-K71 PolarHBondContact O-N 3.04Å; T67-K71 VanDerWaalsContact O-N 3.11Å; A68-K71 PolarHBondContact O-N 3.45Å; V69-K71 PolarHBondContact O-N 2.96Å; K71-D73 PolarHBondContact O-N 3.42Å; K71-S74 PolarHBondContact O-N 2.84Å
72V69.1Low67.2Low111 Ų11182.6 Ų82.667%0.67350%0.501SS*.Hα-helixtrans-65-31.8179.3170.50000111.1A68 V69 S74A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 2.8Å; V69-V72 PolarHBondContact O-N 2.85Å; V69-V72 VanDerWaalsContact O-N 3.09Å; V72-S74 VanDerWaalsContact C-N 3.34Å
73D60.8Low64.4Low68 Ų6887.5 Ų87.536%0.36454%0.542SS..THydrogen-bonded Turntrans-86.6-6.3179.4-62-31.7000113.3V69 K71V69-D73 PolarHBondContact O-N 2.85Å; K71-D73 PolarHBondContact O-N 3.42Å
74S52Low61.5Low74 Ų7486.8 Ų86.852%0.51756%0.561SS.*SBendtrans-94.8114.9174.1-61.80000109.5A70 K71 V72 E76A70-S74 PolarHBondContact O-OG 3.24Å; K71-S74 PolarHBondContact O-N 2.84Å; V72-S74 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.06Å
75P44.1Very low58.8Low66 Ų6688.3 Ų88.343%0.42958%0.578SS.*  trans-62.4124.4172.523.4-29.6000109.3V77 A98P75-V77 PolarHBondContact O-N 3.12Å; P75-A98 HydrophobicContact CG-CB 4.31Å
76E38.4Very low56.1Low193 Ų19391.6 Ų91.690%0.90260%0.603SS**  trans-58.9111.9170.8-69.9-169.8162.600108.4S74 G78S74-E76 PolarHBondContact O-N 3.06Å; E76-G78 PolarHBondContact O-N 3.08Å
77V42Very low53.9Low141 Ų14196.9 Ų96.986%0.85564%0.638SS**  trans-72.183.9165.4-179.30000106.4P75 G79P75-V77 PolarHBondContact O-N 3.12Å; V77-G79 PolarHBondContact O-N 3.39Å
78G36.1Very low51.1Low73 Ų7398.3 Ų98.375%0.75366%0.66SS**  trans-65.496.316900000109E76E76-G78 PolarHBondContact O-N 3.08Å
79G36.7Very low49.3Very low68 Ų68101.4 Ų101.470%0.70168%0.676SS**  trans-76.7115.6163.300000109V77V77-G79 PolarHBondContact O-N 3.39Å
80D34.5Very low47.1Very low158 Ų158109.8 Ų109.885%0.84571%0.714SS**  trans-142.4150.4154.4-107.6-22.9000110.4
81P46.9Very low44.6Very low112 Ų112111.8 Ų111.873%0.72774%0.737SS**  trans-89.1146.6-153.534.6-35000113.8
82A40.8Very low42.6Very low105 Ų105109.2 Ų109.287%0.86875%0.751SS**  trans1.7119157.300000118.7
83A37Very low41Very low103 Ų103111.2 Ų111.285%0.85176%0.758SS**  trans-161.1102.7138.400000112
84G36.8Very low40.1Very low70 Ų70119 Ų11972%0.72278%0.783SS**  trans65.3124.6132.700000122.3
85S37.6Very low39.5Very low122 Ų122119.8 Ų119.885%0.85379%0.794SS**  trans106102.6136.1-15.20000120
86D36.3Very low39.6Very low162 Ų162126 Ų12687%0.86681%0.808SS**  trans79132136.1-135.630000122
87P48.5Very low39.8Very low117 Ų117125.2 Ų125.276%0.7681%0.805SS**  trans-100.7128.1-177.336-24.4000113
88G32Very low40.2Very low70 Ų70120.9 Ų120.972%0.72278%0.784SS**  trans-107.9153.1163.100000111.3
89P53.4Low40.7Very low119 Ų119120.8 Ų120.877%0.77377%0.77SS**  trans-94.3154.6-164.137.5-33.7000114.1
90E41.4Very low41.5Very low199 Ų199122 Ų12293%0.9377%0.767SS**  trans76117.9156.5-66.6179.1-172.100120
91G33Very low42.9Very low72 Ų72115.7 Ų115.774%0.74274%0.74SS**  trans159.668171.400000110.2D93G91-D93 PolarHBondContact O-N 2.98Å
92G38.1Very low44.5Very low90 Ų90113.7 Ų113.793%0.92873%0.727SS**  trans-69.476.8-179.200000112.3
93D35.5Very low47Very low153 Ų153110.5 Ų110.582%0.81870%0.695SS**  trans-99.296.8157-146.70.6000105.8G91 A95G91-D93 PolarHBondContact O-N 2.98Å; D93-A95 PolarHBondContact O-N 3.22Å
94R40.6Very low49.8Very low233 Ų233108.1 Ų108.188%0.87967%0.666SS**  trans-64.193.4169.8-79.1-176.4178.6-175.6-0.8105.6R96R94-R96 VanDerWaalsContact C-N 3.29Å; R94-R96 PolarHBondContact O-N 2.75Å
95A39.7Very low52.7Low90 Ų90104.8 Ų104.874%0.74463%0.632SS**  trans-46.4104.7159.700000105.8D93 E97D93-A95 PolarHBondContact O-N 3.22Å; A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.46Å
96R46.3Very low55.6Low195 Ų19599.1 Ų99.174%0.73659%0.592SS**  trans-59.3104.6176.3-84.6173157.8-163.7-13104.6R94 A98 D200R94-R96 VanDerWaalsContact C-N 3.29Å; R94-R96 PolarHBondContact O-N 2.75Å; R96-A98 PolarHBondContact O-N 3.31Å; R96-D200 IonicContact CZ-OD1 3.79Å; R96-D200 IonicContact CZ-OD2 3.51Å; R96-D200 IonicContact NH1-OD1 2.85Å; R96-D200 PolarHBondContact NH1-OD1 2.84Å; R96-D200 IonicContact NH1-OD2 3.28Å; R96-D200 PolarHBondContact NH1-OD2 3.08Å; R96-D200 IonicContact NH2-OD1 3.9Å; R96-D200 IonicContact NH2-OD2 2.89Å; R96-D200 PolarHBondContact NH2-OD2 2.84Å
97E41.8Very low58.6Low178 Ų17891.4 Ų91.483%0.83255%0.551SS**  trans-48126.5169.8-75.6174161.800106.8A95A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.46Å
98A50.8Low61Low50 Ų5086.1 Ų86.141%0.41352%0.516SS..  trans-51.6144.7171.400000107.6P75 R96 S100P75-A98 HydrophobicContact CG-CB 4.31Å; R96-A98 PolarHBondContact O-N 3.31Å; A98-S100 PolarHBondContact O-N 2.89Å
99P48.2Very low64.1Low70 Ų7084 Ų8446%0.45549%0.494SS..  trans-64.482.4-176.326-33.6000110.5G101 P176 L204P99-G101 PolarHBondContact O-N 3.08Å; P99-P176 HydrophobicContact CB-CG 4.42Å; P99-P176 WeakPolarHBondContact O-CG 3.42Å; P99-L204 HydrophobicContact CB-CD2 3.49Å; P99-L204 VanDerWaalsContact CB-CD2 3.49Å; P99-L204 HydrophobicContact CG-CD2 3.32Å
100S51.9Low66.1Low93 Ų9378.5 Ų78.565%0.6546%0.458SS*.  trans-83.376.6174.661.90000107.4A98A98-S100 PolarHBondContact O-N 2.89Å
101G64.8Low68.7Low27 Ų2769.9 Ų69.928%0.27842%0.423SS..  trans-119.6149.4174.700000109P99P99-G101 PolarHBondContact O-N 3.08Å
102P80.3Confident71.7Confident69 Ų6967.8 Ų67.845%0.44840%0.397SS..PPolyproline II helixtrans-74.2137.9-179.442.7-43.7000107.5E104 W139P102-E104 PolarHBondContact O-N 3.48Å; P102-W139 HydrophobicContact CB-CE3 4.47Å; P102-W139 HydrophobicContact CB-CH2 3.38Å; P102-W139 HydrophobicContact CB-CZ3 3.22Å; P102-W139 HydrophobicContact CG-CE3 4.39Å; P102-W139 HydrophobicContact CG-CH2 3.11Å; P102-W139 HydrophobicContact CG-CZ2 4.19Å; P102-W139 HydrophobicContact CG-CZ3 3.25Å
103L92.5Very high74.5Confident39 Ų3963.5 Ų63.520%0.20435%0.353CS..PPolyproline II helixtrans-68.8124.9-165.3179.361.7000111.4L133 I135 P176 L178L103-L133 HydrophobicContact CD2-CD1 4.14Å; L103-I135 HydrophobicContact CB-CD1 4.49Å; L103-I135 HydrophobicContact CB-CG1 4.28Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.06Å; L103-I135 HydrophobicContact CG-CD1 3.78Å; L103-I135 HydrophobicContact CG-CG1 4.11Å; L103-I135 WeakPolarHBondContact O-CG2 3.41Å; L103-P176 HydrophobicContact CD1-CB 3.96Å; L103-L178 HydrophobicContact CD1-CB 4.41Å
104E96Very high77.4Confident52 Ų5257.2 Ų57.224%0.24332%0.321CS..EExtended strand (participates in β ladder)trans-95.3159.7174.3-72.6178.2171.600111.3P102 W139 R175 P176 T177 L178P102-E104 PolarHBondContact O-N 3.48Å; E104-W139 HydrophobicContact CG-CE3 4.43Å; E104-R175 VanDerWaalsContact CD-CD 3.47Å; E104-R175 HydrophobicContact CG-CG 4.42Å; E104-R175 WeakPolarHBondContact OE1-CD 3.39Å; E104-R175 IonicContact OE1-CZ 3.16Å; E104-R175 IonicContact OE1-NE 3.51Å; E104-R175 IonicContact OE1-NH1 2.68Å; E104-R175 PolarHBondContact OE1-NH1 3.32Å; E104-R175 IonicContact OE1-NH2 3.37Å; E104-P176 PolarHBondContact N-O 3.23Å; E104-T177 HydrophobicContact CB-CG2 4.37Å; E104-T177 WeakPolarHBondContact O-CA 3.43Å; E104-L178 PolarHBondContact O-N 3.49Å
105C98.5Very high80Confident0 Ų050.7 Ų50.70%031%0.31CS..EExtended strand (participates in β ladder)trans-128.5141.6174.3-175.40000112L130 I135 W139 C140 S141 L178C105-L130 HydrophobicContact CB-CD2 3.63Å; C105-I135 HydrophobicContact CB-CD1 4.24Å; C105-I135 HydrophobicContact CB-CG2 4.3Å; C105-W139 PolarHBondContact N-O 3.07Å; C105-W139 VanDerWaalsContact N-O 3.08Å; C105-W139 VanDerWaalsContact O-O 3.13Å; C105-C140 HydrophobicContact CB-CB 4.09Å; C105-C140 CarbonylContact O-C 3.5Å; C105-C140 VanDerWaalsContact O-CA 3.31Å; C105-C140 WeakPolarHBondContact O-CA 3.47Å; C105-S141 PolarHBondContact O-N 2.55Å; C105-L178 CarbonylContact C-O 3.56Å; C105-L178 VanDerWaalsContact CA-O 3.23Å; C105-L178 WeakPolarHBondContact CA-O 3.48Å; C105-L178 HydrophobicContact CB-CB 4.48Å; C105-L178 PolarHBondContact SG-O 3.13Å
106V98.7Very high82.7Confident3 Ų348.9 Ų48.92%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-132.3119.7173.5-175.70000109.5Y108 S141 T177 L178 F179 Y180V106-Y108 HydrophobicContact CG1-CD2 4.14Å; V106-Y108 HydrophobicContact CG1-CE1 3.97Å; V106-Y108 HydrophobicContact CG1-CE2 3.52Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.42Å; V106-S141 CarbonylContact C-O 3.56Å; V106-S141 VanDerWaalsContact CA-O 3.3Å; V106-S141 WeakPolarHBondContact CA-O 3.44Å; V106-T177 HydrophobicContact CG2-CG2 3.9Å; V106-L178 PolarHBondContact N-O 3.27Å; V106-F179 HydrophobicContact CB-CD1 3.71Å; V106-F179 HydrophobicContact CB-CE1 3.78Å; V106-F179 HydrophobicContact CG1-CD1 4.1Å; V106-F179 HydrophobicContact CG1-CE1 4.07Å; V106-F179 HydrophobicContact CG2-CD1 4.42Å; V106-F179 HydrophobicContact CG2-CE1 4.04Å; V106-F179 CarbonylContact O-C 3.5Å; V106-F179 VanDerWaalsContact O-CA 3.28Å; V106-F179 WeakPolarHBondContact O-CA 3.49Å; V106-Y180 PolarHBondContact O-N 3.39Å
107C98.8Very high85.1Confident1 Ų143.1 Ų43.11%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-106.3124.6175.4177.80000110.2L126 S141 V142 Y143 Y180C107-L126 HydrophobicContact CB-CD2 3.71Å; C107-S141 PolarHBondContact N-O 3.05Å; C107-V142 HydrophobicContact CB-CB 4.33Å; C107-V142 HydrophobicContact CB-CG1 3.88Å; C107-V142 CarbonylContact O-C 3.5Å; C107-V142 WeakPolarHBondContact O-CA 3.23Å; C107-Y143 PolarHBondContact O-N 2.97Å; C107-Y180 WeakPolarHBondContact CA-O 3.33Å; C107-Y180 HydrophobicContact CB-CD1 4.43Å
108Y98.6Very high87.7Confident5 Ų536.5 Ų36.52%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-114.3148.3169.5-63.8-61.4000110.4V106 Y143 L163 E167 R171 F179 Y180 L181 C184V106-Y108 HydrophobicContact CG1-CD2 4.14Å; V106-Y108 HydrophobicContact CG1-CE1 3.97Å; V106-Y108 HydrophobicContact CG1-CE2 3.52Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.42Å; Y108-Y143 CarbonylContact C-O 3.6Å; Y108-Y143 WeakPolarHBondContact CA-O 3.4Å; Y108-Y143 HydrophobicContact CD1-CD1 4.35Å; Y108-L163 HydrophobicContact CE1-CD1 4.33Å; Y108-E167 PolarHBondContact OH-OE2 3.19Å; Y108-R171 VanDerWaalsContact OH-CB 3.27Å; Y108-R171 WeakPolarHBondContact OH-CB 3.19Å; Y108-F179 HydrophobicContact CE2-CD1 4.12Å; Y108-F179 HydrophobicContact CE2-CE1 4.2Å; Y108-Y180 PolarHBondContact N-O 3.49Å; Y108-L181 HydrophobicContact CD2-CD2 4.3Å; Y108-C184 PolarHBondContact O-SG 2.86Å
109G96.7Very high90Very high25 Ų2534.2 Ų34.226%0.25823%0.231SC..  trans70.339164.100000114.7G111 Y143 D144G109-G111 VanDerWaalsContact C-N 3.34Å; G109-Y143 PolarHBondContact N-O 2.92Å; G109-D144 WeakPolarHBondContact CA-OD2 3.49Å
110L96.3Very high92.4Very high4 Ų431.5 Ų31.52%0.02121%0.211CC..  trans-70-28.5-178.7-171.469.3000113.6F113 A119 Q122 L123 D144 F147L110-F113 HydrophobicContact CD2-CD1 3.9Å; L110-F113 HydrophobicContact CD2-CE1 4.37Å; L110-A119 WeakPolarHBondContact O-CA 3.45Å; L110-A119 WeakPolarHBondContact O-CB 3.45Å; L110-Q122 HydrophobicContact CD1-CB 3.96Å; L110-L123 HydrophobicContact CD1-CB 4.07Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD1 3.87Å; L110-L123 HydrophobicContact CD2-CD2 4.26Å; L110-L123 HydrophobicContact CD2-CG 4.22Å; L110-L123 HydrophobicContact CG-CB 4.41Å; L110-D144 PolarHBondContact N-OD2 3.08Å; L110-F147 HydrophobicContact CB-CE1 3.96Å; L110-F147 HydrophobicContact CB-CZ 3.83Å; L110-F147 HydrophobicContact CD2-CE1 4.01Å; L110-F147 HydrophobicContact CD2-CZ 3.87Å; L110-F147 HydrophobicContact CG-CE1 4.47Å; L110-F147 HydrophobicContact CG-CZ 4.48Å
111G95.8Very high94.6Very high19 Ų1928.6 Ų28.620%0.19619%0.186CC..  trans78.1179.2-172.500000114.6G109 F113 D144 F147G109-G111 VanDerWaalsContact C-N 3.34Å; G111-F113 PolarHBondContact O-N 3.45Å; G111-F113 VanDerWaalsContact O-N 3.09Å; G111-D144 WeakPolarHBondContact CA-OD2 3.28Å; G111-D144 PolarHBondContact N-OD2 2.94Å; G111-F147 WeakPolarHBondContact O-CE1 3.31Å
112S96.3Very high96.2Very high28 Ų2827.8 Ų27.820%0.19618%0.175CC..  trans-78.591.4-179.7179.30000111.5S114 C115 C116 E151S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-OG 3.44Å; S112-C115 PolarHBondContact O-N 3.18Å; S112-C115 PolarHBondContact OG-SG 2.88Å; S112-C116 WeakPolarHBondContact O-CA 3.42Å; S112-C116 WeakPolarHBondContact O-CB 3.35Å; S112-C116 PolarHBondContact O-N 3.17Å; S112-E151 WeakPolarHBondContact CA-OE1 3.14Å; S112-E151 WeakPolarHBondContact CB-OE1 3.37Å; S112-E151 PolarHBondContact OG-OE1 3.5Å; S112-E151 PolarHBondContact OG-OE2 3.26Å
113F97.4Very high97.1Very high0 Ų024.5 Ų24.50%015%0.154CC..THydrogen-bonded Turntrans-72-16.6-176.457.7-95.1000114.8T42 I46 L110 G111 A119 R120 L123 F147 E151 V154 L155T42-F113 HydrophobicContact CG2-CD2 3.83Å; T42-F113 HydrophobicContact CG2-CE2 3.73Å; I46-F113 HydrophobicContact CD1-CD2 4.05Å; I46-F113 HydrophobicContact CD1-CE2 4.1Å; L110-F113 HydrophobicContact CD2-CD1 3.9Å; L110-F113 HydrophobicContact CD2-CE1 4.37Å; G111-F113 PolarHBondContact O-N 3.45Å; G111-F113 VanDerWaalsContact O-N 3.09Å; F113-A119 HydrophobicContact CB-CB 4.01Å; F113-R120 HydrophobicContact CB-CB 4.32Å; F113-R120 PolarHBondContact O-NE 2.94Å; F113-R120 PolarHBondContact O-NH2 2.51Å; F113-R120 VanDerWaalsContact O-NH2 3.11Å; F113-L123 HydrophobicContact CB-CD2 4.34Å; F113-L123 HydrophobicContact CD1-CD2 3.96Å; F113-L123 HydrophobicContact CD2-CD2 3.86Å; F113-L123 HydrophobicContact CE1-CD2 4.19Å; F113-L123 HydrophobicContact CE2-CD2 4.08Å; F113-L123 HydrophobicContact CG-CD2 3.78Å; F113-L123 HydrophobicContact CZ-CD2 4.23Å; F113-F147 HydrophobicContact CD1-CE1 4.1Å; F113-F147 HydrophobicContact CE1-CD1 4.22Å; F113-F147 AromaticContact CE1-CE1 3.97Å; F113-F147 HydrophobicContact CE1-CE1 3.97Å; F113-E151 HydrophobicContact CD1-CG 4.38Å; F113-E151 HydrophobicContact CD2-CG 4.34Å; F113-E151 HydrophobicContact CE1-CB 3.66Å; F113-E151 HydrophobicContact CE1-CG 3.85Å; F113-E151 HydrophobicContact CE2-CB 4.16Å; F113-E151 HydrophobicContact CE2-CG 3.82Å; F113-E151 HydrophobicContact CZ-CB 3.41Å; F113-E151 VanDerWaalsContact CZ-CB 3.41Å; F113-E151 HydrophobicContact CZ-CG 3.56Å; F113-E151 WeakPolarHBondContact CZ-O 3.33Å; F113-E151 PolarHBondContact N-OE1 3.25Å; F113-V154 HydrophobicContact CE2-CB 4.25Å; F113-V154 HydrophobicContact CE2-CG1 3.96Å; F113-V154 HydrophobicContact CZ-CB 4.37Å; F113-V154 HydrophobicContact CZ-CG1 4.35Å; F113-L155 HydrophobicContact CE1-CD1 3.85Å; F113-L155 HydrophobicContact CE1-CD2 3.95Å; F113-L155 HydrophobicContact CE1-CG 3.86Å; F113-L155 HydrophobicContact CZ-CD1 4.2Å; F113-L155 HydrophobicContact CZ-CD2 4.06Å; F113-L155 HydrophobicContact CZ-CG 3.79Å
114S96.4Very high97.4Very high21 Ų2122.6 Ų22.615%0.14714%0.144CC..THydrogen-bonded Turntrans-66.9-43173.662.30000111.2R45 S112 R120 E151R45-S114 PolarHBondContact NH1-O 2.9Å; S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-OG 3.44Å; S114-R120 PolarHBondContact O-NH2 3.18Å; S114-E151 VanDerWaalsContact CB-OE1 3.27Å; S114-E151 WeakPolarHBondContact CB-OE1 3.27Å; S114-E151 PolarHBondContact N-OE1 3.22Å; S114-E151 PolarHBondContact OG-OE1 3.38Å
115C94.6Very high97.5Very high96 Ų9620.1 Ų20.165%0.64913%0.133SC*.THydrogen-bonded Turntrans-102.6-30.1-177.175.30000113.9S112S112-C115 PolarHBondContact O-N 3.18Å; S112-C115 PolarHBondContact OG-SG 2.88Å
116C96.8Very high97.5Very high51 Ų5120.1 Ų20.135%0.34513%0.133SC..  trans-96.6125.4-178.3-177.50000111.6S112 A119 R120S112-C116 WeakPolarHBondContact O-CA 3.42Å; S112-C116 WeakPolarHBondContact O-CB 3.35Å; S112-C116 PolarHBondContact O-N 3.17Å; C116-A119 HydrophobicContact CB-CB 3.91Å; C116-R120 PolarHBondContact O-N 2.71Å
117V96.7Very high97.5Very high75 Ų7520.2 Ų20.246%0.45513%0.133SC..Hα-helixtrans-66.9-44.4177.2178.50000110.7A119 R120 Y121V117-A119 PolarHBondContact O-N 3.17Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 3.26Å; V117-Y121 HydrophobicContact CG1-CD2 3.65Å; V117-Y121 HydrophobicContact CG1-CE2 3.54Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 2.91Å
118T96.9Very high97.5Very high38 Ų3820.2 Ų20.223%0.23313%0.133CC..Hα-helixtrans-54.7-51.7177.5-60.30000112R120 Y121 Q122 I252T118-R120 PolarHBondContact O-N 3.48Å; T118-Y121 PolarHBondContact O-N 3.42Å; T118-Y121 VanDerWaalsContact O-N 3.16Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 2.86Å; T118-I252 HydrophobicContact CG2-CB 4.32Å; T118-I252 HydrophobicContact CG2-CG1 4.27Å; T118-I252 HydrophobicContact CG2-CG2 4.15Å
119A97.9Very high97.5Very high3 Ų320 Ų203%0.02513%0.132CC..Hα-helixtrans-58.5-36.5177.100000112.3L110 F113 C116 V117 Q122 L123L110-A119 WeakPolarHBondContact O-CA 3.45Å; L110-A119 WeakPolarHBondContact O-CB 3.45Å; F113-A119 HydrophobicContact CB-CB 4.01Å; C116-A119 HydrophobicContact CB-CB 3.91Å; V117-A119 PolarHBondContact O-N 3.17Å; A119-Q122 PolarHBondContact O-N 3.39Å; A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 3.12Å
120R98.4Very high97.5Very high12 Ų1218.9 Ų18.95%0.04512%0.12CC..Hα-helixtrans-67.3-43176.1-164.9-178.4-48.1112.622.1113R45 I46 F113 S114 C116 V117 T118 Q122 L123 A124R45-R120 VanDerWaalsContact CZ-NH1 3.31Å; R45-R120 VanDerWaalsContact NH2-CZ 3.3Å; I46-R120 HydrophobicContact CG1-CG 3.94Å; F113-R120 HydrophobicContact CB-CB 4.32Å; F113-R120 PolarHBondContact O-NE 2.94Å; F113-R120 PolarHBondContact O-NH2 2.51Å; F113-R120 VanDerWaalsContact O-NH2 3.11Å; S114-R120 PolarHBondContact O-NH2 3.18Å; C116-R120 PolarHBondContact O-N 2.71Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 3.26Å; T118-R120 PolarHBondContact O-N 3.48Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; R120-L123 PolarHBondContact O-N 2.99Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.18Å
121Y98.6Very high97.5Very high33 Ų3323.6 Ų23.613%0.12914%0.142CC..Hα-helixtrans-64.6-38.7174.3-86.3-97.4000111.4T49 E52 L53 V117 T118 A124 M125 L249 I252T49-Y121 HydrophobicContact CG2-CD1 3.47Å; T49-Y121 VanDerWaalsContact CG2-CD1 3.47Å; T49-Y121 HydrophobicContact CG2-CD2 3.8Å; T49-Y121 HydrophobicContact CG2-CE1 3.65Å; T49-Y121 HydrophobicContact CG2-CE2 3.99Å; T49-Y121 HydrophobicContact CG2-CG 3.54Å; E52-Y121 PolarHBondContact OE1-OH 3.21Å; E52-Y121 PolarHBondContact OE2-OH 2.92Å; L53-Y121 HydrophobicContact CD1-CD1 4.14Å; L53-Y121 HydrophobicContact CD2-CD1 3.99Å; L53-Y121 HydrophobicContact CD2-CE1 4.32Å; L53-Y121 HydrophobicContact CG-CD1 4.11Å; L53-Y121 HydrophobicContact CG-CE1 4.44Å; V117-Y121 HydrophobicContact CG1-CD2 3.65Å; V117-Y121 HydrophobicContact CG1-CE2 3.54Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 2.91Å; T118-Y121 PolarHBondContact O-N 3.42Å; T118-Y121 VanDerWaalsContact O-N 3.16Å; Y121-A124 PolarHBondContact O-N 3.49Å; Y121-M125 WeakPolarHBondContact O-CB 3.38Å; Y121-M125 PolarHBondContact O-N 3.19Å; Y121-L249 HydrophobicContact CD1-CD2 4.33Å; Y121-L249 HydrophobicContact CE1-CD2 4.06Å; Y121-I252 HydrophobicContact CD1-CD1 4.15Å; Y121-I252 HydrophobicContact CD2-CD1 3.7Å; Y121-I252 HydrophobicContact CE2-CD1 4.31Å; Y121-I252 HydrophobicContact CG-CD1 3.61Å; Y121-I252 HydrophobicContact CG-CG2 4.49Å
122Q98.2Very high97.5Very high9 Ų924.1 Ų24.14%0.04214%0.143CC..Hα-helixtrans-63.9-39.4174.8-71.2177.7-16.200112.2L110 T118 A119 R120 M125 L126 Y180 M182 H183 I252 F253L110-Q122 HydrophobicContact CD1-CB 3.96Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 2.86Å; A119-Q122 PolarHBondContact O-N 3.39Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; Q122-M125 PolarHBondContact O-N 3.37Å; Q122-L126 PolarHBondContact O-N 2.86Å; Q122-Y180 HydrophobicContact CB-CE1 4.46Å; Q122-Y180 PolarHBondContact O-OH 2.94Å; Q122-M182 HydrophobicContact CG-CB 4.28Å; Q122-H183 PolarHBondContact NE2-CD2 2.83Å; Q122-I252 HydrophobicContact CG-CG2 4.16Å; Q122-F253 HydrophobicContact CG-CE1 4.39Å
123L98.7Very high97.5Very high0 Ų024.1 Ų24.10%014%0.14CC..Hα-helixtrans-66.4-46174.4-179.952.1000111.5I46 L110 F113 A119 R120 M125 L126 L127 L155 L160I46-L123 HydrophobicContact CD1-CD2 3.69Å; I46-L123 HydrophobicContact CG1-CD2 4.23Å; L110-L123 HydrophobicContact CD1-CB 4.07Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD1 3.87Å; L110-L123 HydrophobicContact CD2-CD2 4.26Å; L110-L123 HydrophobicContact CD2-CG 4.22Å; L110-L123 HydrophobicContact CG-CB 4.41Å; F113-L123 HydrophobicContact CB-CD2 4.34Å; F113-L123 HydrophobicContact CD1-CD2 3.96Å; F113-L123 HydrophobicContact CD2-CD2 3.86Å; F113-L123 HydrophobicContact CE1-CD2 4.19Å; F113-L123 HydrophobicContact CE2-CD2 4.08Å; F113-L123 HydrophobicContact CG-CD2 3.78Å; F113-L123 HydrophobicContact CZ-CD2 4.23Å; A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 3.12Å; R120-L123 PolarHBondContact O-N 2.99Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 3.01Å; L123-L126 HydrophobicContact CD1-CD2 4.36Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.15Å; L123-L127 HydrophobicContact CD1-CD1 4.37Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.32Å; L123-L155 HydrophobicContact CD1-CD2 3.97Å; L123-L155 HydrophobicContact CD2-CD2 4.01Å; L123-L160 HydrophobicContact CD1-CD1 4.25Å
124A98.7Very high97.4Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-60-40.8177.400000111.6T49 M50 L53 R120 Y121 L127 L128T49-A124 HydrophobicContact CG2-CB 3.63Å; M50-A124 HydrophobicContact CB-CB 4.43Å; M50-A124 HydrophobicContact CG-CB 3.6Å; L53-A124 HydrophobicContact CD1-CB 3.86Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.18Å; Y121-A124 PolarHBondContact O-N 3.49Å; A124-L127 PolarHBondContact O-N 2.66Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.32Å; A124-L128 VanDerWaalsContact O-N 3.08Å
125M98.6Very high97.3Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-64.2-45.4174.5-176.760.77700111.8L53 F58 W59 W62 Y121 Q122 L123 L127 L128 I129 F253L53-M125 HydrophobicContact CD1-CB 4.16Å; L53-M125 HydrophobicContact CD1-CE 4.23Å; L53-M125 HydrophobicContact CD2-CE 4.09Å; F58-M125 HydrophobicContact CE2-CE 3.58Å; F58-M125 HydrophobicContact CZ-CE 3.77Å; W59-M125 HydrophobicContact CE3-CE 4.22Å; W59-M125 HydrophobicContact CE3-SD 3.48Å; W59-M125 HydrophobicContact CZ3-SD 3.48Å; W59-M125 WeakPolarHBondContact CZ3-SD 3.3Å; W62-M125 HydrophobicContact CD2-SD 4.48Å; W62-M125 HydrophobicContact CE3-CE 4.24Å; W62-M125 HydrophobicContact CE3-CG 4.13Å; W62-M125 HydrophobicContact CE3-SD 3.76Å; W62-M125 HydrophobicContact CH2-CG 4.4Å; W62-M125 HydrophobicContact CZ3-CE 4.25Å; W62-M125 HydrophobicContact CZ3-CG 3.67Å; W62-M125 HydrophobicContact CZ3-SD 3.91Å; Y121-M125 WeakPolarHBondContact O-CB 3.38Å; Y121-M125 PolarHBondContact O-N 3.19Å; Q122-M125 PolarHBondContact O-N 3.37Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 3.01Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.85Å; M125-L128 PolarHBondContact O-N 2.77Å; M125-I129 HydrophobicContact CG-CD1 3.94Å; M125-I129 WeakPolarHBondContact O-CD1 3.38Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.26Å; M125-I129 PolarHBondContact O-N 2.85Å; M125-I129 HydrophobicContact SD-CD1 4.44Å; M125-F253 HydrophobicContact CB-CE1 3.9Å; M125-F253 HydrophobicContact CB-CZ 3.93Å; M125-F253 HydrophobicContact CE-CE1 4.26Å; M125-F253 HydrophobicContact CE-CE2 4.08Å; M125-F253 HydrophobicContact CE-CZ 3.82Å; M125-F253 HydrophobicContact CG-CE1 4.05Å; M125-F253 HydrophobicContact CG-CZ 4.3Å
126L98.7Very high97.4Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-54.2-49.1174.3172.964.8000111.1C107 Q122 L123 L128 I129 L130 V142 Y180C107-L126 HydrophobicContact CB-CD2 3.71Å; Q122-L126 PolarHBondContact O-N 2.86Å; L123-L126 HydrophobicContact CD1-CD2 4.36Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.15Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 2.48Å; L126-I129 WeakPolarHBondContact O-CB 3.47Å; L126-I129 PolarHBondContact O-N 3.08Å; L126-I129 VanDerWaalsContact O-N 3.1Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.43Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.39Å; L126-V142 HydrophobicContact CD2-CG1 4.27Å; L126-Y180 HydrophobicContact CB-CD1 4.38Å; L126-Y180 HydrophobicContact CB-CE1 4.09Å; L126-Y180 HydrophobicContact CD1-CD1 4.26Å; L126-Y180 HydrophobicContact CD1-CD2 4.34Å; L126-Y180 HydrophobicContact CD1-CG 3.99Å
127L98.7Very high97.4Very high4 Ų429.5 Ų29.52%0.02115%0.153CC..Hα-helixtrans-61.7-38.8179.9-67.4172.5000112.6I46 M50 L123 A124 M125 I129 L130 E131 M137 L158 L160I46-L127 HydrophobicContact CG2-CD1 3.74Å; M50-L127 HydrophobicContact CE-CB 3.55Å; M50-L127 HydrophobicContact SD-CB 3.76Å; M50-L127 HydrophobicContact SD-CD1 3.64Å; M50-L127 HydrophobicContact SD-CG 4.37Å; L123-L127 HydrophobicContact CD1-CD1 4.37Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.32Å; A124-L127 PolarHBondContact O-N 2.66Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.85Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-L130 HydrophobicContact CD2-CD1 4.41Å; L127-L130 PolarHBondContact O-N 3.2Å; L127-E131 PolarHBondContact O-N 3.1Å; L127-M137 HydrophobicContact CD2-CE 3.91Å; L127-M137 HydrophobicContact CD2-SD 3.89Å; L127-L158 HydrophobicContact CD1-CD1 4.33Å; L127-L160 HydrophobicContact CD2-CD1 4.23Å; L127-L160 HydrophobicContact CD2-CD2 4.31Å
128L98.4Very high97.4Very high2 Ų231.8 Ų31.81%0.0116%0.159CC..Hα-helixtrans-65.5-36.1174.2-72.8174.6000112.4M50 L53 R54 W59 A124 M125 L126 S132M50-L128 HydrophobicContact CE-CD2 3.92Å; M50-L128 HydrophobicContact CE-CG 4.1Å; L53-L128 HydrophobicContact CB-CD1 3.52Å; L53-L128 HydrophobicContact CD1-CD1 4.39Å; R54-L128 HydrophobicContact CB-CD1 4.49Å; R54-L128 HydrophobicContact CB-CD2 4.14Å; R54-L128 HydrophobicContact CG-CD2 4.44Å; W59-L128 HydrophobicContact CD2-CD1 4.47Å; W59-L128 VanDerWaalsContact CH2-C 3.48Å; W59-L128 HydrophobicContact CH2-CB 3.67Å; W59-L128 WeakPolarHBondContact CH2-O 2.94Å; W59-L128 HydrophobicContact CZ2-CB 3.66Å; W59-L128 WeakPolarHBondContact CZ2-O 3.04Å; W59-L128 HydrophobicContact CZ3-CB 4.17Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.32Å; A124-L128 VanDerWaalsContact O-N 3.08Å; M125-L128 PolarHBondContact O-N 2.77Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 2.48Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.96Å
129I98.1Very high97.4Very high0 Ų034.2 Ų34.20%016%0.164CC..Hα-helixtrans-65.5-46.2175.2-67.5160.8000110.5W59 W62 L66 M125 L126 L127 E131 S132 L133 L178 Y180 I208W59-I129 HydrophobicContact CH2-CG1 3.91Å; W59-I129 HydrophobicContact CZ3-CG1 3.83Å; W62-I129 HydrophobicContact CE3-CD1 4.42Å; W62-I129 HydrophobicContact CZ3-CD1 4.42Å; L66-I129 HydrophobicContact CD1-CD1 4.38Å; L66-I129 HydrophobicContact CD1-CG1 3.83Å; L66-I129 HydrophobicContact CD1-CG2 4.1Å; M125-I129 HydrophobicContact CG-CD1 3.94Å; M125-I129 WeakPolarHBondContact O-CD1 3.38Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.26Å; M125-I129 PolarHBondContact O-N 2.85Å; M125-I129 HydrophobicContact SD-CD1 4.44Å; L126-I129 WeakPolarHBondContact O-CB 3.47Å; L126-I129 PolarHBondContact O-N 3.08Å; L126-I129 VanDerWaalsContact O-N 3.1Å; L127-I129 VanDerWaalsContact C-N 3.33Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 2.97Å; I129-S132 PolarHBondContact O-N 3.43Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.36Å; I129-L133 WeakPolarHBondContact O-CB 3.46Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 3.21Å; I129-L178 HydrophobicContact CG2-CD2 3.67Å; I129-Y180 HydrophobicContact CD1-CD2 4.18Å; I129-Y180 HydrophobicContact CD1-CE2 3.8Å; I129-I208 HydrophobicContact CD1-CD1 3.73Å; I129-I208 HydrophobicContact CG2-CD1 4.28Å
130L98Very high97.5Very high1 Ų134.1 Ų34.11%0.00516%0.163CC..Hα-helixtrans-58.3-46.2176.4-62.4176.9000111.2C105 L126 L127 L133 Q134 I135 M137 C140 L160C105-L130 HydrophobicContact CB-CD2 3.63Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.43Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.39Å; L127-L130 HydrophobicContact CD2-CD1 4.41Å; L127-L130 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 2.96Å; L130-Q134 WeakPolarHBondContact O-CA 3.37Å; L130-Q134 PolarHBondContact O-N 2.86Å; L130-I135 HydrophobicContact CD2-CB 3.86Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.85Å; L130-I135 PolarHBondContact O-N 3.3Å; L130-M137 HydrophobicContact CB-SD 4.34Å; L130-M137 HydrophobicContact CD1-SD 3.59Å; L130-M137 VanDerWaalsContact CD1-SD 3.59Å; L130-C140 HydrophobicContact CD1-CB 3.63Å; L130-C140 HydrophobicContact CD2-CB 3.9Å; L130-C140 HydrophobicContact CG-CB 4.44Å; L130-L160 HydrophobicContact CD1-CD2 3.78Å
131E96.4Very high97.5Very high103 Ų10334.1 Ų34.148%0.48117%0.165SC..Hα-helixtrans-59.9-48.2176-177.1-174.7172.500111.7R54 L127 I129 L133 Q134R54-E131 IonicContact CZ-OE2 2.99Å; R54-E131 IonicContact NE-OE2 3.7Å; R54-E131 IonicContact NH2-OE1 2.66Å; R54-E131 PolarHBondContact NH2-OE1 3.39Å; R54-E131 IonicContact NH2-OE2 2.94Å; R54-E131 PolarHBondContact NH2-OE2 2.92Å; L127-E131 PolarHBondContact O-N 3.1Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 2.97Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.09Å; E131-Q134 PolarHBondContact O-N 2.83Å
132S95.7Very high97.5Very high30 Ų3032.6 Ų32.621%0.2116%0.159CC..Hα-helixtrans-65.2-37.5-178.1-179.10000113.2R63 L128 I129 Q134R63-S132 WeakPolarHBondContact CG-OG 3.24Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.96Å; I129-S132 PolarHBondContact O-N 3.43Å; S132-Q134 VanDerWaalsContact C-N 3.28Å
133L95.5Very high97.5Very high29 Ų2933.7 Ų33.715%0.15216%0.163CC..Hα-helixtrans-88.70.6-179.9-64.1-178000112.4L66 A70 L103 I129 L130 E131 I135 L178L66-L133 HydrophobicContact CB-CD1 4.48Å; L66-L133 HydrophobicContact CB-CD2 4.08Å; A70-L133 HydrophobicContact CB-CD2 3.99Å; L103-L133 HydrophobicContact CD2-CD1 4.14Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.36Å; I129-L133 WeakPolarHBondContact O-CB 3.46Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 3.21Å; L130-L133 PolarHBondContact O-N 2.96Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.09Å; L133-I135 HydrophobicContact CB-CD1 3.93Å; L133-I135 HydrophobicContact CB-CG1 3.87Å; L133-I135 HydrophobicContact CD1-CD1 4.15Å; L133-I135 PolarHBondContact O-N 3.19Å; L133-L178 HydrophobicContact CD1-CD2 3.97Å
134Q95Very high97.5Very high172 Ų17234.5 Ų34.580%0.80417%0.167SC*.THydrogen-bonded Turntrans5535.2-178.3-55.6173.82700112.3L130 E131 S132 P136L130-Q134 WeakPolarHBondContact O-CA 3.37Å; L130-Q134 PolarHBondContact O-N 2.86Å; E131-Q134 PolarHBondContact O-N 2.83Å; S132-Q134 VanDerWaalsContact C-N 3.28Å; Q134-P136 WeakPolarHBondContact O-CD 3.2Å
135I95.7Very high97.3Very high9 Ų937.2 Ų37.25%0.04619%0.185CC..  trans-80.5120.3174.8-59.8171.5000107.4L103 C105 L130 L133 W139 L178L103-I135 HydrophobicContact CB-CD1 4.49Å; L103-I135 HydrophobicContact CB-CG1 4.28Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.06Å; L103-I135 HydrophobicContact CG-CD1 3.78Å; L103-I135 HydrophobicContact CG-CG1 4.11Å; L103-I135 WeakPolarHBondContact O-CG2 3.41Å; C105-I135 HydrophobicContact CB-CD1 4.24Å; C105-I135 HydrophobicContact CB-CG2 4.3Å; L130-I135 HydrophobicContact CD2-CB 3.86Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.85Å; L130-I135 PolarHBondContact O-N 3.3Å; L133-I135 HydrophobicContact CB-CD1 3.93Å; L133-I135 HydrophobicContact CB-CG1 3.87Å; L133-I135 HydrophobicContact CD1-CD1 4.15Å; L133-I135 PolarHBondContact O-N 3.19Å; I135-W139 HydrophobicContact CG2-CB 4.4Å; I135-L178 HydrophobicContact CD1-CD2 4.28Å
136P96.6Very high97.1Very high43 Ų4340.9 Ų40.928%0.27921%0.207SC..  trans-57.6139.3174.8-22.733.8000111.3Q134 E138 W139Q134-P136 WeakPolarHBondContact O-CD 3.2Å; P136-E138 HydrophobicContact CB-CG 4.1Å; P136-E138 WeakPolarHBondContact CB-OE2 3.42Å; P136-E138 PolarHBondContact O-N 3.02Å; P136-W139 HydrophobicContact CB-CG 4.41Å; P136-W139 HydrophobicContact CG-CD2 4.22Å; P136-W139 HydrophobicContact CG-CE3 4.25Å; P136-W139 HydrophobicContact CG-CZ3 4.43Å; P136-W139 WeakPolarHBondContact O-CB 3.41Å; P136-W139 PolarHBondContact O-N 3.33Å
137M96.8Very high97Very high56 Ų5641.6 Ų41.628%0.27621%0.21SC..G310 helixtrans-59.2-36.4-175.3-67.2-65.6-178.800111.8L127 L130 W139 C140 G159 L160L127-M137 HydrophobicContact CD2-CE 3.91Å; L127-M137 HydrophobicContact CD2-SD 3.89Å; L130-M137 HydrophobicContact CB-SD 4.34Å; L130-M137 HydrophobicContact CD1-SD 3.59Å; L130-M137 VanDerWaalsContact CD1-SD 3.59Å; M137-W139 PolarHBondContact O-N 2.86Å; M137-W139 VanDerWaalsContact O-N 3.13Å; M137-C140 WeakPolarHBondContact O-CB 3.41Å; M137-C140 PolarHBondContact O-N 2.92Å; M137-G159 CarbonylContact C-O 3.6Å; M137-G159 WeakPolarHBondContact CB-O 3.33Å; M137-L160 HydrophobicContact CB-CD2 4.44Å; M137-L160 HydrophobicContact SD-CD2 3.93Å
138E96.6Very high96.9Very high123 Ų12343.3 Ų43.358%0.57522%0.223SC*.G310 helixtrans-63.6-16.8178.462-93.8-144.600113.7P136 G159P136-E138 HydrophobicContact CB-CG 4.1Å; P136-E138 WeakPolarHBondContact CB-OE2 3.42Å; P136-E138 PolarHBondContact O-N 3.02Å; E138-G159 WeakPolarHBondContact CA-O 3.36Å; E138-G159 PolarHBondContact N-O 3.39Å
139W97.2Very high96.8Very high90 Ų9048 Ų4834%0.34126%0.255SS..G310 helixtrans-99.81.9176.3-65.86.3000113.2P102 E104 C105 I135 P136 M137P102-W139 HydrophobicContact CB-CE3 4.47Å; P102-W139 HydrophobicContact CB-CH2 3.38Å; P102-W139 HydrophobicContact CB-CZ3 3.22Å; P102-W139 HydrophobicContact CG-CE3 4.39Å; P102-W139 HydrophobicContact CG-CH2 3.11Å; P102-W139 HydrophobicContact CG-CZ2 4.19Å; P102-W139 HydrophobicContact CG-CZ3 3.25Å; E104-W139 HydrophobicContact CG-CE3 4.43Å; C105-W139 PolarHBondContact N-O 3.07Å; C105-W139 VanDerWaalsContact N-O 3.08Å; C105-W139 VanDerWaalsContact O-O 3.13Å; I135-W139 HydrophobicContact CG2-CB 4.4Å; P136-W139 HydrophobicContact CB-CG 4.41Å; P136-W139 HydrophobicContact CG-CD2 4.22Å; P136-W139 HydrophobicContact CG-CE3 4.25Å; P136-W139 HydrophobicContact CG-CZ3 4.43Å; P136-W139 WeakPolarHBondContact O-CB 3.41Å; P136-W139 PolarHBondContact O-N 3.33Å; M137-W139 PolarHBondContact O-N 2.86Å; M137-W139 VanDerWaalsContact O-N 3.13Å
140C98.5Very high96.8Very high0 Ų048.5 Ų48.50%026%0.261CS..EExtended strand (participates in β ladder)trans-92.6108.7166.3-1730000109.3C105 L130 M137 L160 N161C105-C140 HydrophobicContact CB-CB 4.09Å; C105-C140 CarbonylContact O-C 3.5Å; C105-C140 VanDerWaalsContact O-CA 3.31Å; C105-C140 WeakPolarHBondContact O-CA 3.47Å; L130-C140 HydrophobicContact CD1-CB 3.63Å; L130-C140 HydrophobicContact CD2-CB 3.9Å; L130-C140 HydrophobicContact CG-CB 4.44Å; M137-C140 WeakPolarHBondContact O-CB 3.41Å; M137-C140 PolarHBondContact O-N 2.92Å; C140-L160 HydrophobicContact CB-CD2 3.66Å; C140-N161 PolarHBondContact O-N 2.82Å
141S98.6Very high96.7Very high13 Ų1348.5 Ų48.59%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-86.8132.9170.4-65.20000110.4C105 V106 C107 N161 R171C105-S141 PolarHBondContact O-N 2.55Å; V106-S141 CarbonylContact C-O 3.56Å; V106-S141 VanDerWaalsContact CA-O 3.3Å; V106-S141 WeakPolarHBondContact CA-O 3.44Å; C107-S141 PolarHBondContact N-O 3.05Å; S141-N161 CarbonylContact C-O 3.6Å; S141-N161 VanDerWaalsContact CA-O 3.25Å; S141-N161 WeakPolarHBondContact CA-O 3.5Å; S141-N161 PolarHBondContact OG-ND2 3.43Å; S141-N161 VanDerWaalsContact OG-ND2 3.17Å; S141-R171 PolarHBondContact OG-NH1 3.25Å
142V98.7Very high96.8Very high0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-125.9138.8179.4-55.10000111.2C107 L126 F147 L155 L160 N161 V162 L163C107-V142 HydrophobicContact CB-CB 4.33Å; C107-V142 HydrophobicContact CB-CG1 3.88Å; C107-V142 CarbonylContact O-C 3.5Å; C107-V142 WeakPolarHBondContact O-CA 3.23Å; L126-V142 HydrophobicContact CD2-CG1 4.27Å; V142-F147 HydrophobicContact CG2-CE2 4.39Å; V142-L155 HydrophobicContact CG2-CB 4.44Å; V142-L155 HydrophobicContact CG2-CD1 3.86Å; V142-L155 HydrophobicContact CG2-CD2 4.38Å; V142-L155 HydrophobicContact CG2-CG 4.45Å; V142-L160 HydrophobicContact CG1-CB 4.36Å; V142-L160 HydrophobicContact CG1-CD1 4.11Å; V142-L160 HydrophobicContact CG2-CB 4.32Å; V142-N161 PolarHBondContact N-O 3.48Å; V142-V162 HydrophobicContact CG2-CB 4.45Å; V142-V162 HydrophobicContact CG2-CG2 3.99Å; V142-L163 PolarHBondContact O-N 2.93Å
143Y98.4Very high96.9Very high33 Ų3348.6 Ų48.613%0.12926%0.258CS..EExtended strand (participates in β ladder)trans-147.2132175.3-177.1-98.2000112.2C107 Y108 G109 P145 L163 E165 N166C107-Y143 PolarHBondContact O-N 2.97Å; Y108-Y143 CarbonylContact C-O 3.6Å; Y108-Y143 WeakPolarHBondContact CA-O 3.4Å; Y108-Y143 HydrophobicContact CD1-CD1 4.35Å; G109-Y143 PolarHBondContact N-O 2.92Å; Y143-P145 HydrophobicContact CE1-CB 4.47Å; Y143-L163 HydrophobicContact CD2-CB 4Å; Y143-L163 WeakPolarHBondContact CD2-O 3.34Å; Y143-L163 HydrophobicContact CG-CB 4.4Å; Y143-E165 WeakPolarHBondContact CE2-O 3.49Å; Y143-N166 HydrophobicContact CE1-CB 3.99Å; Y143-N166 VanDerWaalsContact CZ-CA 3.5Å; Y143-N166 VanDerWaalsContact OH-CB 3.24Å; Y143-N166 WeakPolarHBondContact OH-CB 3.35Å
144D97.8Very high97.1Very high16 Ų1647.2 Ų47.29%0.08625%0.251CS..  trans-145.7129.7162.7-165.2-53.5000108.2G109 L110 G111 V146 F147G109-D144 WeakPolarHBondContact CA-OD2 3.49Å; L110-D144 PolarHBondContact N-OD2 3.08Å; G111-D144 WeakPolarHBondContact CA-OD2 3.28Å; G111-D144 PolarHBondContact N-OD2 2.94Å; D144-V146 HydrophobicContact CB-CG2 4.47Å; D144-V146 PolarHBondContact O-N 3.37Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-V146 WeakPolarHBondContact OD1-CB 3.14Å; D144-V146 WeakPolarHBondContact OD1-CG2 3.45Å; D144-V146 PolarHBondContact OD1-N 3.37Å; D144-F147 HydrophobicContact CB-CD1 3.77Å; D144-F147 HydrophobicContact CB-CD2 3.95Å; D144-F147 HydrophobicContact CB-CE1 3.54Å; D144-F147 HydrophobicContact CB-CE2 3.75Å; D144-F147 HydrophobicContact CB-CG 3.96Å; D144-F147 HydrophobicContact CB-CZ 3.53Å; D144-F147 VanDerWaalsContact N-CE2 3.26Å; D144-F147 WeakPolarHBondContact O-CD2 3.25Å; D144-F147 PolarHBondContact O-N 3.06Å
145P95.1Very high97.2Very high58 Ų5839 Ų3938%0.37721%0.213SC..THydrogen-bonded Turntrans-60.2-17.5176.726.7-37.3000113.9Y143 I291Y143-P145 HydrophobicContact CE1-CB 4.47Å; P145-I291 HydrophobicContact CB-CB 4.45Å; P145-I291 HydrophobicContact CB-CD1 3.84Å; P145-I291 HydrophobicContact CB-CG2 4.36Å; P145-I291 HydrophobicContact CG-CB 4.13Å; P145-I291 HydrophobicContact CG-CD1 3.44Å; P145-I291 VanDerWaalsContact CG-CD1 3.44Å; P145-I291 HydrophobicContact CG-CG1 4.28Å
146V95.3Very high97.4Very high77 Ų7744 Ų4447%0.46723%0.231SC..THydrogen-bonded Turntrans-90.9-2.9-179-49.80000113.9D144 S148D144-V146 HydrophobicContact CB-CG2 4.47Å; D144-V146 PolarHBondContact O-N 3.37Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-V146 WeakPolarHBondContact OD1-CB 3.14Å; D144-V146 WeakPolarHBondContact OD1-CG2 3.45Å; D144-V146 PolarHBondContact OD1-N 3.37Å; V146-S148 PolarHBondContact O-N 3.25Å
147F96.8Very high97.4Very high15 Ų1546.1 Ų46.17%0.06624%0.237CC..  trans-60.6129178.5-70.3-27.7000111.4L110 G111 F113 V142 D144 M152 L155L110-F147 HydrophobicContact CB-CE1 3.96Å; L110-F147 HydrophobicContact CB-CZ 3.83Å; L110-F147 HydrophobicContact CD2-CE1 4.01Å; L110-F147 HydrophobicContact CD2-CZ 3.87Å; L110-F147 HydrophobicContact CG-CE1 4.47Å; L110-F147 HydrophobicContact CG-CZ 4.48Å; G111-F147 WeakPolarHBondContact O-CE1 3.31Å; F113-F147 HydrophobicContact CD1-CE1 4.1Å; F113-F147 HydrophobicContact CE1-CD1 4.22Å; F113-F147 AromaticContact CE1-CE1 3.97Å; F113-F147 HydrophobicContact CE1-CE1 3.97Å; V142-F147 HydrophobicContact CG2-CE2 4.39Å; D144-F147 HydrophobicContact CB-CD1 3.77Å; D144-F147 HydrophobicContact CB-CD2 3.95Å; D144-F147 HydrophobicContact CB-CE1 3.54Å; D144-F147 HydrophobicContact CB-CE2 3.75Å; D144-F147 HydrophobicContact CB-CG 3.96Å; D144-F147 HydrophobicContact CB-CZ 3.53Å; D144-F147 VanDerWaalsContact N-CE2 3.26Å; D144-F147 WeakPolarHBondContact O-CD2 3.25Å; D144-F147 PolarHBondContact O-N 3.06Å; F147-M152 HydrophobicContact CB-CE 4.28Å; F147-M152 HydrophobicContact CB-CG 3.97Å; F147-M152 WeakPolarHBondContact O-CE 3.46Å; F147-L155 HydrophobicContact CD2-CD1 3.93Å; F147-L155 HydrophobicContact CE1-CD1 4.26Å; F147-L155 HydrophobicContact CE2-CD1 3.59Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CZ-CD1 3.78Å
148S96.3Very high97.5Very high40 Ų4045.7 Ų45.728%0.2824%0.236SC..  trans-75160.9167.262.40000111.5V146 G150 E151 M152V146-S148 PolarHBondContact O-N 3.25Å; S148-G150 PolarHBondContact O-N 2.84Å; S148-E151 PolarHBondContact N-OE2 3.49Å; S148-E151 PolarHBondContact O-N 2.79Å; S148-E151 VanDerWaalsContact O-N 3.13Å; S148-E151 WeakPolarHBondContact OG-CB 3.3Å; S148-E151 VanDerWaalsContact OG-CG 3.28Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 2.92Å; S148-E151 PolarHBondContact OG-OE2 2.99Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.44Å
149S96.1Very high97.6Very high99 Ų9941.4 Ų41.469%0.69223%0.225SC*.Hα-helixtrans-56.7-38.5175.854.20000112.8M152 E153S149-M152 PolarHBondContact O-N 3.37Å; S149-E153 PolarHBondContact O-N 3.26Å
150G96.8Very high97.6Very high12 Ų1237.5 Ų37.512%0.12421%0.211CC..Hα-helixtrans-69.6-34.4177.100000113.6S148 E153 V154S148-G150 PolarHBondContact O-N 2.84Å; G150-E153 PolarHBondContact O-N 2.88Å; G150-V154 WeakPolarHBondContact O-CG2 3.44Å; G150-V154 PolarHBondContact O-N 2.87Å
151E97.9Very high97.6Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-68.2-43172-76.9167.5148.900111.7S112 F113 S114 S148 E153 V154 L155S112-E151 WeakPolarHBondContact CA-OE1 3.14Å; S112-E151 WeakPolarHBondContact CB-OE1 3.37Å; S112-E151 PolarHBondContact OG-OE1 3.5Å; S112-E151 PolarHBondContact OG-OE2 3.26Å; F113-E151 HydrophobicContact CD1-CG 4.38Å; F113-E151 HydrophobicContact CD2-CG 4.34Å; F113-E151 HydrophobicContact CE1-CB 3.66Å; F113-E151 HydrophobicContact CE1-CG 3.85Å; F113-E151 HydrophobicContact CE2-CB 4.16Å; F113-E151 HydrophobicContact CE2-CG 3.82Å; F113-E151 HydrophobicContact CZ-CB 3.41Å; F113-E151 VanDerWaalsContact CZ-CB 3.41Å; F113-E151 HydrophobicContact CZ-CG 3.56Å; F113-E151 WeakPolarHBondContact CZ-O 3.33Å; F113-E151 PolarHBondContact N-OE1 3.25Å; S114-E151 VanDerWaalsContact CB-OE1 3.27Å; S114-E151 WeakPolarHBondContact CB-OE1 3.27Å; S114-E151 PolarHBondContact N-OE1 3.22Å; S114-E151 PolarHBondContact OG-OE1 3.38Å; S148-E151 PolarHBondContact N-OE2 3.49Å; S148-E151 PolarHBondContact O-N 2.79Å; S148-E151 VanDerWaalsContact O-N 3.13Å; S148-E151 WeakPolarHBondContact OG-CB 3.3Å; S148-E151 VanDerWaalsContact OG-CG 3.28Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 2.92Å; S148-E151 PolarHBondContact OG-OE2 2.99Å; E151-E153 PolarHBondContact O-N 3.45Å; E151-V154 PolarHBondContact O-N 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.4Å; E151-L155 PolarHBondContact O-N 3.3Å
152M98Very high97.6Very high57 Ų5740.9 Ų40.928%0.28123%0.228SC..Hα-helixtrans-58.2-39.5173.4-62.1179.9-138.300111.5F147 S148 S149 L155 R156 V162F147-M152 HydrophobicContact CB-CE 4.28Å; F147-M152 HydrophobicContact CB-CG 3.97Å; F147-M152 WeakPolarHBondContact O-CE 3.46Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.44Å; S149-M152 PolarHBondContact O-N 3.37Å; M152-L155 PolarHBondContact O-N 3.12Å; M152-R156 WeakPolarHBondContact O-CG 3.46Å; M152-R156 PolarHBondContact O-N 3.41Å; M152-V162 HydrophobicContact CB-CG1 4.2Å; M152-V162 HydrophobicContact CG-CG1 3.96Å
153E97.9Very high97.6Very high78 Ų7842 Ų4236%0.36423%0.234SC..Hα-helixtrans-64.2-45.5175.4-178.955.8-154.800112S149 G150 E151 L155 R156 Q157S149-E153 PolarHBondContact O-N 3.26Å; G150-E153 PolarHBondContact O-N 2.88Å; E151-E153 PolarHBondContact O-N 3.45Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.46Å; E153-R156 PolarHBondContact O-N 2.92Å; E153-Q157 WeakPolarHBondContact O-CG 3.27Å; E153-Q157 PolarHBondContact O-N 3.44Å; E153-Q157 PolarHBondContact OE1-NE2 3.16Å
154V98.3Very high97.3Very high0 Ų046.4 Ų46.40%026%0.264CS..Hα-helixtrans-57.9-45.7174.5169.50000111.3T39 T42 K43 I46 F113 G150 E151 R156 Q157 L158T39-V154 HydrophobicContact CG2-CG2 3.84Å; T42-V154 HydrophobicContact CG2-CG1 4.34Å; T42-V154 HydrophobicContact CG2-CG2 4.34Å; K43-V154 HydrophobicContact CG-CG1 3.87Å; I46-V154 HydrophobicContact CD1-CG1 3.96Å; F113-V154 HydrophobicContact CE2-CB 4.25Å; F113-V154 HydrophobicContact CE2-CG1 3.96Å; F113-V154 HydrophobicContact CZ-CB 4.37Å; F113-V154 HydrophobicContact CZ-CG1 4.35Å; G150-V154 WeakPolarHBondContact O-CG2 3.44Å; G150-V154 PolarHBondContact O-N 2.87Å; E151-V154 PolarHBondContact O-N 3.3Å; V154-R156 PolarHBondContact O-N 3.42Å; V154-Q157 PolarHBondContact O-N 2.79Å; V154-L158 HydrophobicContact CG1-CD1 3.95Å; V154-L158 HydrophobicContact CG1-CG 4.48Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.44Å
155L98.6Very high97.2Very high0 Ų051.9 Ų51.90%029%0.29CS..Hα-helixtrans-61.4-42178.9-68.1166000111.8F113 L123 V142 F147 E151 M152 E153 L158 G159 L160 V162F113-L155 HydrophobicContact CE1-CD1 3.85Å; F113-L155 HydrophobicContact CE1-CD2 3.95Å; F113-L155 HydrophobicContact CE1-CG 3.86Å; F113-L155 HydrophobicContact CZ-CD1 4.2Å; F113-L155 HydrophobicContact CZ-CD2 4.06Å; F113-L155 HydrophobicContact CZ-CG 3.79Å; L123-L155 HydrophobicContact CD1-CD2 3.97Å; L123-L155 HydrophobicContact CD2-CD2 4.01Å; V142-L155 HydrophobicContact CG2-CB 4.44Å; V142-L155 HydrophobicContact CG2-CD1 3.86Å; V142-L155 HydrophobicContact CG2-CD2 4.38Å; V142-L155 HydrophobicContact CG2-CG 4.45Å; F147-L155 HydrophobicContact CD2-CD1 3.93Å; F147-L155 HydrophobicContact CE1-CD1 4.26Å; F147-L155 HydrophobicContact CE2-CD1 3.59Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CZ-CD1 3.78Å; E151-L155 WeakPolarHBondContact O-CG 3.4Å; E151-L155 PolarHBondContact O-N 3.3Å; M152-L155 PolarHBondContact O-N 3.12Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.46Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 3.37Å; L155-G159 PolarHBondContact O-N 2.88Å; L155-L160 HydrophobicContact CB-CD1 4.48Å; L155-L160 HydrophobicContact CD2-CD1 3.62Å; L155-L160 WeakPolarHBondContact O-CB 3.49Å; L155-L160 PolarHBondContact O-N 3.1Å; L155-V162 HydrophobicContact CB-CG2 3.52Å; L155-V162 HydrophobicContact CD1-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG2 4.48Å
156R98.3Very high97.2Very high115 Ų11550 Ų5043%0.43428%0.277SS..Hα-helixtrans-65-40.5175-70.7-179-167.8109.15.5112.3M152 E153 V154 L158 G159 V162M152-R156 WeakPolarHBondContact O-CG 3.46Å; M152-R156 PolarHBondContact O-N 3.41Å; E153-R156 PolarHBondContact O-N 2.92Å; V154-R156 PolarHBondContact O-N 3.42Å; R156-L158 PolarHBondContact O-N 3.07Å; R156-G159 WeakPolarHBondContact O-CA 3.32Å; R156-G159 PolarHBondContact O-N 2.65Å; R156-V162 HydrophobicContact CG-CG2 3.9Å
157Q98Very high97.3Very high86 Ų8648.1 Ų48.140%0.40226%0.263SS..Hα-helixtrans-65.5-27.1175.5-71.5179.71500112.9E153 V154 G159E153-Q157 WeakPolarHBondContact O-CG 3.27Å; E153-Q157 PolarHBondContact O-N 3.44Å; E153-Q157 PolarHBondContact OE1-NE2 3.16Å; V154-Q157 PolarHBondContact O-N 2.79Å; Q157-G159 PolarHBondContact O-N 2.97Å
158L98Very high97.3Very high47 Ų4748 Ų4825%0.24626%0.263CS..THydrogen-bonded Turntrans-77.5-5171.1-66.9167.6000112.9I46 L127 V154 L155 R156I46-L158 HydrophobicContact CD1-CD1 4.21Å; L127-L158 HydrophobicContact CD1-CD1 4.33Å; V154-L158 HydrophobicContact CG1-CD1 3.95Å; V154-L158 HydrophobicContact CG1-CG 4.48Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.44Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 3.37Å; R156-L158 PolarHBondContact O-N 3.07Å
159G98.2Very high97.3Very high34 Ų3446.1 Ų46.135%0.35125%0.249SC..THydrogen-bonded Turntrans90.14.617900000114.9M137 E138 L155 R156 Q157M137-G159 CarbonylContact C-O 3.6Å; M137-G159 WeakPolarHBondContact CB-O 3.33Å; E138-G159 WeakPolarHBondContact CA-O 3.36Å; E138-G159 PolarHBondContact N-O 3.39Å; L155-G159 PolarHBondContact O-N 2.88Å; R156-G159 WeakPolarHBondContact O-CA 3.32Å; R156-G159 PolarHBondContact O-N 2.65Å; Q157-G159 PolarHBondContact O-N 2.97Å
160L98.6Very high97.4Very high7 Ų743.3 Ų43.34%0.03722%0.224CC..  trans-79.5147.2-178.8-57.8171.5000111.5L123 L127 L130 M137 C140 V142 L155 V162L123-L160 HydrophobicContact CD1-CD1 4.25Å; L127-L160 HydrophobicContact CD2-CD1 4.23Å; L127-L160 HydrophobicContact CD2-CD2 4.31Å; L130-L160 HydrophobicContact CD1-CD2 3.78Å; M137-L160 HydrophobicContact CB-CD2 4.44Å; M137-L160 HydrophobicContact SD-CD2 3.93Å; C140-L160 HydrophobicContact CB-CD2 3.66Å; V142-L160 HydrophobicContact CG1-CB 4.36Å; V142-L160 HydrophobicContact CG1-CD1 4.11Å; V142-L160 HydrophobicContact CG2-CB 4.32Å; L155-L160 HydrophobicContact CB-CD1 4.48Å; L155-L160 HydrophobicContact CD2-CD1 3.62Å; L155-L160 WeakPolarHBondContact O-CB 3.49Å; L155-L160 PolarHBondContact O-N 3.1Å; L160-V162 PolarHBondContact O-N 3.03Å
161N98.3Very high97.4Very high74 Ų7445.5 Ų45.540%0.39623%0.229SC..EExtended strand (participates in β ladder)trans-84.6103.4174.3-179.846.6000110.9C140 S141 V142 L163C140-N161 PolarHBondContact O-N 2.82Å; S141-N161 CarbonylContact C-O 3.6Å; S141-N161 VanDerWaalsContact CA-O 3.25Å; S141-N161 WeakPolarHBondContact CA-O 3.5Å; S141-N161 PolarHBondContact OG-ND2 3.43Å; S141-N161 VanDerWaalsContact OG-ND2 3.17Å; V142-N161 PolarHBondContact N-O 3.48Å; N161-L163 PolarHBondContact O-N 2.69Å
162V98.4Very high97.3Very high11 Ų1148.4 Ų48.47%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-81.6114.1178.3-1750000110.1V142 M152 L155 R156 L160V142-V162 HydrophobicContact CG2-CB 4.45Å; V142-V162 HydrophobicContact CG2-CG2 3.99Å; M152-V162 HydrophobicContact CB-CG1 4.2Å; M152-V162 HydrophobicContact CG-CG1 3.96Å; L155-V162 HydrophobicContact CB-CG2 3.52Å; L155-V162 HydrophobicContact CD1-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG2 4.48Å; R156-V162 HydrophobicContact CG-CG2 3.9Å; L160-V162 PolarHBondContact O-N 3.03Å
163L98Very high97.3Very high23 Ų2346.7 Ų46.712%0.1225%0.246CC..  trans-70.4144.1177.4-54178000110.5Y108 V142 Y143 N161 E167Y108-L163 HydrophobicContact CE1-CD1 4.33Å; V142-L163 PolarHBondContact O-N 2.93Å; Y143-L163 HydrophobicContact CD2-CB 4Å; Y143-L163 WeakPolarHBondContact CD2-O 3.34Å; Y143-L163 HydrophobicContact CG-CB 4.4Å; N161-L163 PolarHBondContact O-N 2.69Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.4Å
164T93.5Very high97.1Very high125 Ų12547.7 Ų47.777%0.76726%0.261SS*.  trans-99.8-13.1178.152.50000113
165E94.3Very high96.8Very high131 Ų13151.9 Ų51.961%0.61228%0.277SS*.SBendtrans-109.6136.9-176.1-64.7-173.4-177.900111.1Y143 E167Y143-E165 WeakPolarHBondContact CE2-O 3.49Å; E165-E167 PolarHBondContact O-N 2.61Å; E165-E167 VanDerWaalsContact O-N 3.1Å
166N96.3Very high96.7Very high20 Ų2052.7 Ų52.711%0.10728%0.282CS..  trans-74.299.1167.9-1713.1000109.6Y143 E168 I291 R293Y143-N166 HydrophobicContact CE1-CB 3.99Å; Y143-N166 VanDerWaalsContact CZ-CA 3.5Å; Y143-N166 VanDerWaalsContact OH-CB 3.24Å; Y143-N166 WeakPolarHBondContact OH-CB 3.35Å; N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 PolarHBondContact OD1-N 3.36Å; N166-I291 PolarHBondContact ND2-O 3.15Å; N166-R293 HydrophobicContact CB-CG 3.82Å; N166-R293 VanDerWaalsContact O-CD 3.23Å; N166-R293 WeakPolarHBondContact O-CD 3.35Å; N166-R293 WeakPolarHBondContact O-CG 3.29Å; N166-R293 PolarHBondContact O-NH1 3.33Å
167E96.8Very high96.7Very high36 Ų3647.4 Ų47.417%0.16826%0.263CS..  trans-76.4-8.8175.7-65179.4138.900112.7Y108 L163 E165 G169 K170 R171Y108-E167 PolarHBondContact OH-OE2 3.19Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.4Å; E165-E167 PolarHBondContact O-N 2.61Å; E165-E167 VanDerWaalsContact O-N 3.1Å; E167-G169 PolarHBondContact O-N 3.49Å; E167-G169 VanDerWaalsContact O-N 3.07Å; E167-K170 VanDerWaalsContact O-CB 3.32Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 PolarHBondContact O-N 2.91Å; E167-R171 IonicContact OE1-CZ 3.43Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 3.35Å; E167-R171 IonicContact OE1-NH2 3.21Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; E167-R171 IonicContact OE2-CZ 3.94Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 PolarHBondContact OE2-NE 3.01Å; E167-R171 IonicContact OE2-NH2 3.41Å; E167-R171 PolarHBondContact OE2-NH2 2.86Å
168E96.9Very high96.7Very high14 Ų1443.4 Ų43.47%0.06524%0.244CC..THydrogen-bonded Turntrans53.926.7-177.7-53.3176.8144.400113.3N166 K170 N191 I290 Q292 R293N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 PolarHBondContact OD1-N 3.36Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CD 4.3Å; E168-K170 HydrophobicContact CB-CG 4.47Å; E168-K170 PolarHBondContact O-N 3.5Å; E168-K170 WeakPolarHBondContact OE2-CE 3.32Å; E168-K170 IonicContact OE2-NZ 2.66Å; E168-K170 PolarHBondContact OE2-NZ 2.97Å; E168-N191 WeakPolarHBondContact O-CB 3.39Å; E168-N191 PolarHBondContact O-ND2 2.91Å; E168-I290 HydrophobicContact CB-CD1 3.99Å; E168-Q292 WeakPolarHBondContact OE1-CA 3.46Å; E168-Q292 WeakPolarHBondContact OE1-CB 3.18Å; E168-R293 HydrophobicContact CG-CG 4.46Å; E168-R293 PolarHBondContact OE1-N 3.21Å
169G96.3Very high96.8Very high0 Ų041.1 Ų41.10%023%0.232CC..THydrogen-bonded Turntrans75.76.6-17500000114.6E167 R171 L192E167-G169 PolarHBondContact O-N 3.49Å; E167-G169 VanDerWaalsContact O-N 3.07Å; G169-R171 VanDerWaalsContact C-N 3.26Å; G169-R171 PolarHBondContact O-N 3.33Å; G169-L192 WeakPolarHBondContact O-CA 3.27Å; G169-L192 WeakPolarHBondContact O-CB 3.44Å; G169-L192 PolarHBondContact O-N 2.99Å
170K97.1Very high96.8Very high39 Ų3939.6 Ų39.617%0.1722%0.216CC..  trans-89.639.8-175.7-57.7168.5-176.7171.20112.6E167 E168 N191 W194 K195 E279E167-K170 VanDerWaalsContact O-CB 3.32Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 PolarHBondContact O-N 2.91Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CD 4.3Å; E168-K170 HydrophobicContact CB-CG 4.47Å; E168-K170 PolarHBondContact O-N 3.5Å; E168-K170 WeakPolarHBondContact OE2-CE 3.32Å; E168-K170 IonicContact OE2-NZ 2.66Å; E168-K170 PolarHBondContact OE2-NZ 2.97Å; K170-N191 HydrophobicContact CG-CB 3.88Å; K170-W194 HydrophobicContact CB-CZ3 4.39Å; K170-W194 HydrophobicContact CD-CZ3 4.06Å; K170-W194 HydrophobicContact CG-CE3 4.36Å; K170-W194 HydrophobicContact CG-CZ3 4.02Å; K170-K195 WeakPolarHBondContact O-CG 3.39Å; K170-E279 VanDerWaalsContact CE-OE1 3.25Å; K170-E279 WeakPolarHBondContact CE-OE1 3.12Å; K170-E279 IonicContact NZ-OE1 3.97Å; K170-E279 PolarHBondContact NZ-OE1 3.28Å
171R97.5Very high96.8Very high59 Ų5939.2 Ų39.222%0.22321%0.214CC..PPolyproline II helixtrans-84.5123177.6178.7163-84.6-158.7-5.5110.6Y108 S141 E167 G169 F179 N196Y108-R171 VanDerWaalsContact OH-CB 3.27Å; Y108-R171 WeakPolarHBondContact OH-CB 3.19Å; S141-R171 PolarHBondContact OG-NH1 3.25Å; E167-R171 IonicContact OE1-CZ 3.43Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 3.35Å; E167-R171 IonicContact OE1-NH2 3.21Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; E167-R171 IonicContact OE2-CZ 3.94Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 PolarHBondContact OE2-NE 3.01Å; E167-R171 IonicContact OE2-NH2 3.41Å; E167-R171 PolarHBondContact OE2-NH2 2.86Å; G169-R171 VanDerWaalsContact C-N 3.26Å; G169-R171 PolarHBondContact O-N 3.33Å; R171-F179 HydrophobicContact CB-CE1 4.29Å; R171-F179 HydrophobicContact CG-CE1 4.44Å; R171-F179 HydrophobicContact CG-CZ 4.45Å; R171-N196 PolarHBondContact O-ND2 3.45Å
172A97Very high96.5Very high61 Ų6135.8 Ų35.850%0.50420%0.196SC..PPolyproline II helixtrans-80.1142.2174.200000110.5K195 N196A172-K195 HydrophobicContact CB-CG 4.06Å; A172-N196 VanDerWaalsContact CA-OD1 3.3Å; A172-N196 WeakPolarHBondContact CA-OD1 3.3Å
173V96.4Very high96.2Very high21 Ų2138.7 Ų38.713%0.12721%0.208CC..PPolyproline II helixtrans-92.5146.1173-59.80000111.1F179 N196 A201 L204 L205V173-F179 HydrophobicContact CG1-CE2 3.56Å; V173-F179 HydrophobicContact CG1-CZ 3.83Å; V173-N196 WeakPolarHBondContact CG2-OD1 3.41Å; V173-N196 PolarHBondContact N-OD1 3.04Å; V173-A201 HydrophobicContact CG2-CB 3.9Å; V173-L204 HydrophobicContact CB-CB 4.3Å; V173-L204 HydrophobicContact CB-CD1 4.48Å; V173-L204 HydrophobicContact CG2-CB 3.83Å; V173-L204 HydrophobicContact CG2-CD1 3.88Å; V173-L204 HydrophobicContact CG2-CG 4.45Å; V173-L205 HydrophobicContact CB-CD1 4.11Å; V173-L205 HydrophobicContact CG1-CD1 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.18Å; V173-L205 HydrophobicContact CG2-CD1 3.52Å
174S93.4Very high96.1Very high99 Ų9938 Ų3869%0.69221%0.205SC*.SBendtrans-128.4-7.717159.60000112.9
175R93.8Very high96.2Very high88 Ų8832.4 Ų32.433%0.33217%0.173SC..SBendtrans-152.9172.8179.568.9-178.473.21576.6108.6E104 T177E104-R175 VanDerWaalsContact CD-CD 3.47Å; E104-R175 HydrophobicContact CG-CG 4.42Å; E104-R175 WeakPolarHBondContact OE1-CD 3.39Å; E104-R175 IonicContact OE1-CZ 3.16Å; E104-R175 IonicContact OE1-NE 3.51Å; E104-R175 IonicContact OE1-NH1 2.68Å; E104-R175 PolarHBondContact OE1-NH1 3.32Å; E104-R175 IonicContact OE1-NH2 3.37Å; R175-T177 PolarHBondContact O-N 2.89Å; R175-T177 PolarHBondContact O-OG1 3.01Å; R175-T177 VanDerWaalsContact O-OG1 3.06Å
176P95.9Very high96.3Very high16 Ų1628.3 Ų28.310%0.10415%0.153CC..  trans-54.8126.9176.8-26.236.8000111P99 L103 E104 L204P99-P176 HydrophobicContact CB-CG 4.42Å; P99-P176 WeakPolarHBondContact O-CG 3.42Å; L103-P176 HydrophobicContact CD1-CB 3.96Å; E104-P176 PolarHBondContact N-O 3.23Å; P176-L204 WeakPolarHBondContact CA-O 3.5Å; P176-L204 HydrophobicContact CG-CD2 4.2Å
177T97.8Very high96.4Very high5 Ų527.4 Ų27.43%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-137.7123.8-176.6-53.80000110.5E104 V106 R175 F179 L204 T206E104-T177 HydrophobicContact CB-CG2 4.37Å; E104-T177 WeakPolarHBondContact O-CA 3.43Å; V106-T177 HydrophobicContact CG2-CG2 3.9Å; R175-T177 PolarHBondContact O-N 2.89Å; R175-T177 PolarHBondContact O-OG1 3.01Å; R175-T177 VanDerWaalsContact O-OG1 3.06Å; T177-F179 HydrophobicContact CG2-CD2 3.95Å; T177-F179 HydrophobicContact CG2-CE1 4.41Å; T177-F179 HydrophobicContact CG2-CE2 3.49Å; T177-F179 VanDerWaalsContact CG2-CE2 3.49Å; T177-F179 HydrophobicContact CG2-CZ 3.75Å; T177-L204 PolarHBondContact N-O 2.86Å; T177-T206 PolarHBondContact O-N 3Å
178L98.5Very high96.4Very high1 Ų126.7 Ų26.71%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-84.6115.3169.8176.666.3000109.8L103 E104 C105 V106 I129 L133 I135 T206 I208L103-L178 HydrophobicContact CD1-CB 4.41Å; E104-L178 PolarHBondContact O-N 3.49Å; C105-L178 CarbonylContact C-O 3.56Å; C105-L178 VanDerWaalsContact CA-O 3.23Å; C105-L178 WeakPolarHBondContact CA-O 3.48Å; C105-L178 HydrophobicContact CB-CB 4.48Å; C105-L178 PolarHBondContact SG-O 3.13Å; V106-L178 PolarHBondContact N-O 3.27Å; I129-L178 HydrophobicContact CG2-CD2 3.67Å; L133-L178 HydrophobicContact CD1-CD2 3.97Å; I135-L178 HydrophobicContact CD1-CD2 4.28Å; L178-T206 CarbonylContact C-O 3.56Å; L178-T206 WeakPolarHBondContact CA-O 3.19Å; L178-T206 HydrophobicContact CD1-CG2 3.54Å; L178-I208 HydrophobicContact CD1-CD1 3.85Å; L178-I208 HydrophobicContact CD1-CG1 3.94Å; L178-I208 HydrophobicContact CD2-CD1 4.28Å
179F98.8Very high96.5Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-96.9127.6169.9-67.3-94.4000111.2V106 Y108 R171 V173 T177 L181 L192 L205 T206 I207 I208V106-F179 HydrophobicContact CB-CD1 3.71Å; V106-F179 HydrophobicContact CB-CE1 3.78Å; V106-F179 HydrophobicContact CG1-CD1 4.1Å; V106-F179 HydrophobicContact CG1-CE1 4.07Å; V106-F179 HydrophobicContact CG2-CD1 4.42Å; V106-F179 HydrophobicContact CG2-CE1 4.04Å; V106-F179 CarbonylContact O-C 3.5Å; V106-F179 VanDerWaalsContact O-CA 3.28Å; V106-F179 WeakPolarHBondContact O-CA 3.49Å; Y108-F179 HydrophobicContact CE2-CD1 4.12Å; Y108-F179 HydrophobicContact CE2-CE1 4.2Å; R171-F179 HydrophobicContact CB-CE1 4.29Å; R171-F179 HydrophobicContact CG-CE1 4.44Å; R171-F179 HydrophobicContact CG-CZ 4.45Å; V173-F179 HydrophobicContact CG1-CE2 3.56Å; V173-F179 HydrophobicContact CG1-CZ 3.83Å; T177-F179 HydrophobicContact CG2-CD2 3.95Å; T177-F179 HydrophobicContact CG2-CE1 4.41Å; T177-F179 HydrophobicContact CG2-CE2 3.49Å; T177-F179 VanDerWaalsContact CG2-CE2 3.49Å; T177-F179 HydrophobicContact CG2-CZ 3.75Å; F179-L181 HydrophobicContact CB-CD1 3.42Å; F179-L181 VanDerWaalsContact CB-CD1 3.42Å; F179-L181 HydrophobicContact CG-CD1 4.42Å; F179-L192 HydrophobicContact CB-CD2 3.96Å; F179-L192 HydrophobicContact CD1-CD1 3.85Å; F179-L192 HydrophobicContact CD1-CD2 3.82Å; F179-L192 HydrophobicContact CD2-CD1 4.23Å; F179-L192 HydrophobicContact CD2-CD2 3.98Å; F179-L192 HydrophobicContact CE1-CD1 3.45Å; F179-L192 VanDerWaalsContact CE1-CD1 3.45Å; F179-L192 HydrophobicContact CE1-CD2 4.31Å; F179-L192 HydrophobicContact CE2-CD1 3.86Å; F179-L192 HydrophobicContact CE2-CD2 4.44Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; F179-L192 HydrophobicContact CG-CD2 3.64Å; F179-L192 HydrophobicContact CZ-CD1 3.46Å; F179-L192 VanDerWaalsContact CZ-CD1 3.46Å; F179-L205 HydrophobicContact CD2-CG 4.26Å; F179-L205 HydrophobicContact CE2-CG 4.05Å; F179-T206 PolarHBondContact N-O 2.89Å; F179-I207 HydrophobicContact CB-CG1 4.37Å; F179-I207 CarbonylContact O-C 3.14Å; F179-I207 WeakPolarHBondContact O-CA 3.02Å; F179-I208 PolarHBondContact O-N 3.43Å
180Y98.8Very high96.6Very high1 Ų126 Ų260%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-108.7107.2175.6-171.2-96.7000109V106 C107 Y108 Q122 L126 I129 M182 I208V106-Y180 PolarHBondContact O-N 3.39Å; C107-Y180 WeakPolarHBondContact CA-O 3.33Å; C107-Y180 HydrophobicContact CB-CD1 4.43Å; Y108-Y180 PolarHBondContact N-O 3.49Å; Q122-Y180 HydrophobicContact CB-CE1 4.46Å; Q122-Y180 PolarHBondContact O-OH 2.94Å; L126-Y180 HydrophobicContact CB-CD1 4.38Å; L126-Y180 HydrophobicContact CB-CE1 4.09Å; L126-Y180 HydrophobicContact CD1-CD1 4.26Å; L126-Y180 HydrophobicContact CD1-CD2 4.34Å; L126-Y180 HydrophobicContact CD1-CG 3.99Å; I129-Y180 HydrophobicContact CD1-CD2 4.18Å; I129-Y180 HydrophobicContact CD1-CE2 3.8Å; Y180-M182 HydrophobicContact CD1-CG 4.04Å; Y180-M182 HydrophobicContact CD2-CG 4.2Å; Y180-M182 HydrophobicContact CE1-CB 4.07Å; Y180-M182 HydrophobicContact CE1-CG 3.45Å; Y180-M182 VanDerWaalsContact CE1-CG 3.45Å; Y180-M182 HydrophobicContact CE2-CG 3.59Å; Y180-M182 HydrophobicContact CE2-SD 4.31Å; Y180-M182 HydrophobicContact CG-CG 4.41Å; Y180-M182 WeakPolarHBondContact OH-CG 3.35Å; Y180-I208 HydrophobicContact CD2-CB 3.95Å; Y180-I208 HydrophobicContact CD2-CD1 4.35Å; Y180-I208 HydrophobicContact CD2-CG2 3.88Å; Y180-I208 HydrophobicContact CE2-CG2 3.94Å
181L98Very high96.6Very high0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-124.634.2-173.1-67.9107000112.7Y108 F179 H183 C184 L188 Y189 L192 I207 I208Y108-L181 HydrophobicContact CD2-CD2 4.3Å; F179-L181 HydrophobicContact CB-CD1 3.42Å; F179-L181 VanDerWaalsContact CB-CD1 3.42Å; F179-L181 HydrophobicContact CG-CD1 4.42Å; L181-H183 PolarHBondContact O-N 3.4Å; L181-C184 VanDerWaalsContact C-SG 3.57Å; L181-C184 HydrophobicContact CB-CB 3.97Å; L181-C184 HydrophobicContact CD2-CB 4.37Å; L181-C184 WeakPolarHBondContact O-CB 3.49Å; L181-C184 PolarHBondContact O-N 2.91Å; L181-C184 PolarHBondContact O-SG 2.88Å; L181-C184 VanDerWaalsContact O-SG 3.37Å; L181-L188 HydrophobicContact CD2-CB 3.88Å; L181-Y189 HydrophobicContact CB-CD1 4.47Å; L181-Y189 HydrophobicContact CB-CE1 3.69Å; L181-Y189 HydrophobicContact CB-CE2 4.15Å; L181-Y189 VanDerWaalsContact CB-CZ 3.48Å; L181-Y189 WeakPolarHBondContact CB-OH 3.45Å; L181-Y189 HydrophobicContact CD1-CE1 4.25Å; L181-Y189 HydrophobicContact CD2-CD1 4.34Å; L181-Y189 HydrophobicContact CD2-CE1 4.35Å; L181-Y189 HydrophobicContact CD2-CG 4.5Å; L181-Y189 HydrophobicContact CG-CE1 4.35Å; L181-Y189 PolarHBondContact O-OH 3.4Å; L181-L192 HydrophobicContact CD1-CD2 3.98Å; L181-I207 HydrophobicContact CD1-CG2 3.89Å; L181-I208 PolarHBondContact N-O 2.76Å
182M93.9Very high96.7Very high2 Ų221.5 Ų21.51%0.0112%0.124CC..THydrogen-bonded Turntrans-47.8123.9-177.5-68.7-63.7-60.500113.2Q122 Y180 C184 I208 F253 T256Q122-M182 HydrophobicContact CG-CB 4.28Å; Y180-M182 HydrophobicContact CD1-CG 4.04Å; Y180-M182 HydrophobicContact CD2-CG 4.2Å; Y180-M182 HydrophobicContact CE1-CB 4.07Å; Y180-M182 HydrophobicContact CE1-CG 3.45Å; Y180-M182 VanDerWaalsContact CE1-CG 3.45Å; Y180-M182 HydrophobicContact CE2-CG 3.59Å; Y180-M182 HydrophobicContact CE2-SD 4.31Å; Y180-M182 HydrophobicContact CG-CG 4.41Å; Y180-M182 WeakPolarHBondContact OH-CG 3.35Å; M182-C184 PolarHBondContact O-N 2.8Å; M182-I208 HydrophobicContact SD-CG2 4.05Å; M182-F253 HydrophobicContact CE-CD1 3.7Å; M182-T256 HydrophobicContact CE-CG2 3.77Å; M182-T256 WeakPolarHBondContact CE-OG1 3.39Å; M182-T256 HydrophobicContact SD-CG2 3.34Å; M182-T256 WeakPolarHBondContact SD-CG2 3.39Å
183H91.4Very high96.7Very high72 Ų7218.6 Ų18.633%0.33310%0.1SC..THydrogen-bonded Turntrans54.815.9-179.6-59.8-35.5000115.9Q122 L181 N210 I252 N254Q122-H183 PolarHBondContact NE2-CD2 2.83Å; L181-H183 PolarHBondContact O-N 3.4Å; H183-N210 VanDerWaalsContact CA-OD1 3.3Å; H183-N210 WeakPolarHBondContact CA-OD1 3.46Å; H183-N210 PolarHBondContact N-OD1 3.16Å; H183-N210 VanDerWaalsContact N-OD1 3.07Å; H183-I252 PolarHBondContact CD2-O 3.27Å; H183-I252 PolarHBondContact NE2-O 2.92Å; H183-N254 PolarHBondContact CE1-O 3.3Å; H183-N254 VanDerWaalsContact CE1-O 3.32Å; H183-N254 PolarHBondContact CE1-OD1 2.83Å; H183-N254 PolarHBondContact NE2-OD1 3.11Å
184C96.4Very high96.8Very high8 Ų819.7 Ų19.75%0.05410%0.102CC..  trans-63.8151.2175.5-76.90000111.7Y108 L181 M182 L188 Y189 N210Y108-C184 PolarHBondContact O-SG 2.86Å; L181-C184 VanDerWaalsContact C-SG 3.57Å; L181-C184 HydrophobicContact CB-CB 3.97Å; L181-C184 HydrophobicContact CD2-CB 4.37Å; L181-C184 WeakPolarHBondContact O-CB 3.49Å; L181-C184 PolarHBondContact O-N 2.91Å; L181-C184 PolarHBondContact O-SG 2.88Å; L181-C184 VanDerWaalsContact O-SG 3.37Å; M182-C184 PolarHBondContact O-N 2.8Å; C184-L188 HydrophobicContact CB-CB 4.39Å; C184-L188 HydrophobicContact CB-CD1 3.77Å; C184-Y189 HydrophobicContact CB-CE2 3.78Å; C184-Y189 WeakPolarHBondContact O-CE2 3.4Å; C184-N210 PolarHBondContact O-ND2 3.2Å
185G95.6Very high97Very high8 Ų819.6 Ų19.68%0.0829%0.089CC..  trans-61.3147.2171.400000112.1A187 L188 E289G185-A187 PolarHBondContact O-N 2.66Å; G185-A187 VanDerWaalsContact O-N 3.08Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.36Å; G185-E289 WeakPolarHBondContact CA-O 3.35Å
186K96.6Very high97.2Very high44 Ų4415.6 Ų15.619%0.1918%0.075CC..Hα-helixtrans-55.2-31.1-176.7-63.1167.3-71.8-66.10113.2L188 Y189 N190 I215 M219 Y228 I231 E289K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.22Å; K186-Y189 PolarHBondContact O-N 3.42Å; K186-N190 WeakPolarHBondContact O-CB 3.16Å; K186-N190 PolarHBondContact O-N 3.36Å; K186-I215 HydrophobicContact CD-CG2 4.01Å; K186-I215 HydrophobicContact CG-CD1 4.29Å; K186-I215 HydrophobicContact CG-CG1 4.44Å; K186-I215 HydrophobicContact CG-CG2 4.19Å; K186-M219 HydrophobicContact CD-CE 4.33Å; K186-M219 HydrophobicContact CD-CG 4.44Å; K186-M219 HydrophobicContact CD-SD 3.41Å; K186-M219 WeakPolarHBondContact CD-SD 3.5Å; K186-Y228 HydrophobicContact CB-CD1 3.8Å; K186-Y228 HydrophobicContact CB-CE1 3.5Å; K186-Y228 VanDerWaalsContact CB-CE1 3.5Å; K186-Y228 HydrophobicContact CB-CG 4.49Å; K186-I231 HydrophobicContact CB-CD1 4.25Å; K186-I231 WeakPolarHBondContact O-CD1 3.41Å; K186-E289 IonicContact NZ-OE2 3.78Å; K186-E289 PolarHBondContact NZ-OE2 3.07Å
187A97.3Very high97.2Very high1 Ų115.8 Ų15.81%0.0087%0.073CC..Hα-helixtrans-62.6-33.9178.800000112.8G185 N190 N191 Y228 Y282 L288 I290G185-A187 PolarHBondContact O-N 2.66Å; G185-A187 VanDerWaalsContact O-N 3.08Å; A187-N190 PolarHBondContact O-N 3.44Å; A187-N191 VanDerWaalsContact O-CB 3.24Å; A187-N191 WeakPolarHBondContact O-CB 3.35Å; A187-N191 PolarHBondContact O-N 2.77Å; A187-N191 PolarHBondContact O-ND2 2.97Å; A187-N191 PolarHBondContact O-OD1 3.28Å; A187-Y228 HydrophobicContact CB-CE1 4.27Å; A187-Y282 HydrophobicContact CB-CD1 4.44Å; A187-Y282 HydrophobicContact CB-CD2 4.24Å; A187-Y282 HydrophobicContact CB-CE1 3.95Å; A187-Y282 HydrophobicContact CB-CE2 3.74Å; A187-Y282 PolarHBondContact O-OH 3.47Å; A187-L288 HydrophobicContact CB-CD1 3.78Å; A187-I290 HydrophobicContact CB-CB 4.02Å; A187-I290 HydrophobicContact CB-CD1 4.32Å; A187-I290 HydrophobicContact CB-CG2 3.56Å
188L97.6Very high97.1Very high21 Ų2117.7 Ų17.711%0.119%0.087CC..Hα-helixtrans-64.6-45.8176.4-77172.1000111.4L181 C184 G185 K186 N191 L192 I290L181-L188 HydrophobicContact CD2-CB 3.88Å; C184-L188 HydrophobicContact CB-CB 4.39Å; C184-L188 HydrophobicContact CB-CD1 3.77Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.36Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.22Å; L188-N191 PolarHBondContact O-N 3.23Å; L188-L192 WeakPolarHBondContact O-CB 3.44Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-I290 HydrophobicContact CD2-CD1 3.6Å; L188-I290 HydrophobicContact CD2-CG1 4.25Å; L188-I290 HydrophobicContact CG-CD1 3.91Å; L188-I290 HydrophobicContact CG-CG1 4.33Å
189Y98.3Very high96.9Very high0 Ų022.5 Ų22.50%011%0.105CC..Hα-helixtrans-61.7-47.1175.1-66.1-87000111.9L181 C184 K186 N191 L192 L193 I207 G209 N210 F212L181-Y189 HydrophobicContact CB-CD1 4.47Å; L181-Y189 HydrophobicContact CB-CE1 3.69Å; L181-Y189 HydrophobicContact CB-CE2 4.15Å; L181-Y189 VanDerWaalsContact CB-CZ 3.48Å; L181-Y189 WeakPolarHBondContact CB-OH 3.45Å; L181-Y189 HydrophobicContact CD1-CE1 4.25Å; L181-Y189 HydrophobicContact CD2-CD1 4.34Å; L181-Y189 HydrophobicContact CD2-CE1 4.35Å; L181-Y189 HydrophobicContact CD2-CG 4.5Å; L181-Y189 HydrophobicContact CG-CE1 4.35Å; L181-Y189 PolarHBondContact O-OH 3.4Å; C184-Y189 HydrophobicContact CB-CE2 3.78Å; C184-Y189 WeakPolarHBondContact O-CE2 3.4Å; K186-Y189 PolarHBondContact O-N 3.42Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.16Å; Y189-L192 PolarHBondContact O-N 3.37Å; Y189-L193 WeakPolarHBondContact O-CB 3.25Å; Y189-L193 VanDerWaalsContact O-CG 3.24Å; Y189-L193 WeakPolarHBondContact O-CG 3.34Å; Y189-L193 PolarHBondContact O-N 3.02Å; Y189-I207 HydrophobicContact CD1-CG2 4.38Å; Y189-I207 HydrophobicContact CE1-CG2 3.95Å; Y189-G209 WeakPolarHBondContact OH-CA 3.34Å; Y189-N210 HydrophobicContact CE2-CB 4.3Å; Y189-N210 PolarHBondContact OH-N 2.73Å; Y189-F212 AromaticContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CE1 3.48Å; Y189-F212 VanDerWaalsContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CZ 4.01Å; Y189-F212 HydrophobicContact CE1-CE1 4.1Å; Y189-F212 HydrophobicContact CG-CE1 4Å
190N98Very high96.6Very high1 Ų127 Ų271%0.00513%0.129CC..Hα-helixtrans-66.2-37.4-177.4-170.668.4000112K186 A187 W194 D227 Y228 Y230 I231 P280 Y282K186-N190 WeakPolarHBondContact O-CB 3.16Å; K186-N190 PolarHBondContact O-N 3.36Å; A187-N190 PolarHBondContact O-N 3.44Å; N190-W194 VanDerWaalsContact O-CB 3.25Å; N190-W194 WeakPolarHBondContact O-CB 3.44Å; N190-W194 PolarHBondContact O-N 2.85Å; N190-D227 PolarHBondContact ND2-O 2.89Å; N190-Y228 HydrophobicContact CB-CD1 3.84Å; N190-Y228 VanDerWaalsContact OD1-CA 3.27Å; N190-Y228 WeakPolarHBondContact OD1-CA 3.49Å; N190-Y228 PolarHBondContact OD1-O 3.18Å; N190-Y230 WeakPolarHBondContact OD1-CB 3.18Å; N190-Y230 PolarHBondContact OD1-N 3.36Å; N190-Y230 VanDerWaalsContact OD1-N 3.17Å; N190-I231 HydrophobicContact CB-CD1 4.03Å; N190-I231 HydrophobicContact CB-CG1 4.02Å; N190-I231 PolarHBondContact OD1-N 3.03Å; N190-P280 WeakPolarHBondContact ND2-CB 3.37Å; N190-P280 VanDerWaalsContact ND2-CG 3.31Å; N190-P280 WeakPolarHBondContact ND2-CG 3.1Å; N190-Y282 WeakPolarHBondContact CB-OH 3.45Å; N190-Y282 PolarHBondContact ND2-OH 3.25Å
191N98.3Very high96.5Very high3 Ų327.6 Ų27.62%0.01613%0.134CC..Hα-helixtrans-66.5-41.9172.6-73.4-6.6000112.3E168 K170 A187 L188 Y189 W194 K195 Y282E168-N191 WeakPolarHBondContact O-CB 3.39Å; E168-N191 PolarHBondContact O-ND2 2.91Å; K170-N191 HydrophobicContact CG-CB 3.88Å; A187-N191 VanDerWaalsContact O-CB 3.24Å; A187-N191 WeakPolarHBondContact O-CB 3.35Å; A187-N191 PolarHBondContact O-N 2.77Å; A187-N191 PolarHBondContact O-ND2 2.97Å; A187-N191 PolarHBondContact O-OD1 3.28Å; L188-N191 PolarHBondContact O-N 3.23Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.16Å; N191-W194 PolarHBondContact O-N 3.07Å; N191-K195 WeakPolarHBondContact O-CB 3.24Å; N191-K195 PolarHBondContact O-N 3.32Å; N191-Y282 WeakPolarHBondContact OD1-CE2 3.5Å; N191-Y282 PolarHBondContact OD1-OH 3.19Å
192L98.5Very high96.4Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-62.1-47.1177.1176.464.5000111.1G169 F179 L181 L188 Y189 K195 N196 L205 I207G169-L192 WeakPolarHBondContact O-CA 3.27Å; G169-L192 WeakPolarHBondContact O-CB 3.44Å; G169-L192 PolarHBondContact O-N 2.99Å; F179-L192 HydrophobicContact CB-CD2 3.96Å; F179-L192 HydrophobicContact CD1-CD1 3.85Å; F179-L192 HydrophobicContact CD1-CD2 3.82Å; F179-L192 HydrophobicContact CD2-CD1 4.23Å; F179-L192 HydrophobicContact CD2-CD2 3.98Å; F179-L192 HydrophobicContact CE1-CD1 3.45Å; F179-L192 VanDerWaalsContact CE1-CD1 3.45Å; F179-L192 HydrophobicContact CE1-CD2 4.31Å; F179-L192 HydrophobicContact CE2-CD1 3.86Å; F179-L192 HydrophobicContact CE2-CD2 4.44Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; F179-L192 HydrophobicContact CG-CD2 3.64Å; F179-L192 HydrophobicContact CZ-CD1 3.46Å; F179-L192 VanDerWaalsContact CZ-CD1 3.46Å; L181-L192 HydrophobicContact CD1-CD2 3.98Å; L188-L192 WeakPolarHBondContact O-CB 3.44Å; L188-L192 PolarHBondContact O-N 3.18Å; Y189-L192 PolarHBondContact O-N 3.37Å; L192-K195 PolarHBondContact O-N 3Å; L192-N196 WeakPolarHBondContact CD1-ND2 3.31Å; L192-N196 PolarHBondContact O-N 3.46Å; L192-N196 PolarHBondContact O-ND2 2.92Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD2-CD2 4.34Å; L192-L205 HydrophobicContact CG-CD2 4.05Å; L192-I207 HydrophobicContact CD2-CD1 4.13Å; L192-I207 HydrophobicContact CD2-CG1 4.34Å
193L98.1Very high96.6Very high0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-62.9-48.1176.9-68.8169.4000110.9Y189 K195 N196 W197 L202 F212 I231 A234 F261Y189-L193 WeakPolarHBondContact O-CB 3.25Å; Y189-L193 VanDerWaalsContact O-CG 3.24Å; Y189-L193 WeakPolarHBondContact O-CG 3.34Å; Y189-L193 PolarHBondContact O-N 3.02Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.37Å; L193-N196 CarbonylContact O-C 3.5Å; L193-N196 VanDerWaalsContact O-C 3.31Å; L193-N196 PolarHBondContact O-N 2.93Å; L193-N196 VanDerWaalsContact O-N 3.17Å; L193-W197 HydrophobicContact CB-CE3 4.14Å; L193-W197 HydrophobicContact CB-CZ3 4.23Å; L193-W197 HydrophobicContact CD2-CZ3 4.43Å; L193-W197 WeakPolarHBondContact O-CA 3.4Å; L193-W197 WeakPolarHBondContact O-CB 3.41Å; L193-W197 PolarHBondContact O-N 3.43Å; L193-L202 HydrophobicContact CD2-CD2 4.2Å; L193-F212 HydrophobicContact CD1-CE2 3.96Å; L193-F212 HydrophobicContact CD1-CZ 3.85Å; L193-F212 HydrophobicContact CD2-CE2 4.3Å; L193-F212 HydrophobicContact CD2-CZ 4.43Å; L193-F212 HydrophobicContact CG-CZ 4.43Å; L193-I231 HydrophobicContact CD1-CB 4.46Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; L193-A234 HydrophobicContact CD1-CB 3.82Å; L193-A234 HydrophobicContact CD2-CB 4.23Å; L193-F261 HydrophobicContact CD2-CE1 4.41Å; L193-F261 HydrophobicContact CD2-CE2 4.14Å; L193-F261 HydrophobicContact CD2-CZ 3.58Å
194W97.8Very high96.8Very high43 Ų4326.5 Ų26.516%0.16313%0.132CC..Hα-helixtrans-53.6-50.7176165.362000112K170 N190 N191 N196 W197 Y230 A277 P278 E279 P280K170-W194 HydrophobicContact CB-CZ3 4.39Å; K170-W194 HydrophobicContact CD-CZ3 4.06Å; K170-W194 HydrophobicContact CG-CE3 4.36Å; K170-W194 HydrophobicContact CG-CZ3 4.02Å; N190-W194 VanDerWaalsContact O-CB 3.25Å; N190-W194 WeakPolarHBondContact O-CB 3.44Å; N190-W194 PolarHBondContact O-N 2.85Å; N191-W194 PolarHBondContact O-N 3.07Å; W194-N196 PolarHBondContact O-N 2.92Å; W194-N196 VanDerWaalsContact O-N 3.14Å; W194-W197 WeakPolarHBondContact O-CB 3.33Å; W194-W197 PolarHBondContact O-N 3.42Å; W194-Y230 HydrophobicContact CB-CD1 4.31Å; W194-Y230 HydrophobicContact CB-CD2 3.74Å; W194-Y230 HydrophobicContact CB-CE1 4.23Å; W194-Y230 HydrophobicContact CB-CE2 3.67Å; W194-Y230 HydrophobicContact CB-CG 4.08Å; W194-Y230 AromaticContact CD1-CE1 3.97Å; W194-Y230 AromaticContact CD1-CE2 3.76Å; W194-Y230 AromaticContact CD1-CZ 3.36Å; W194-Y230 AromaticContact CG-CE2 3.98Å; W194-Y230 HydrophobicContact CG-CE2 3.98Å; W194-Y230 AromaticContact CG-CZ 3.99Å; W194-A277 PolarHBondContact NE1-O 2.99Å; W194-P278 PolarHBondContact NE1-O 3.24Å; W194-E279 HydrophobicContact CD2-CG 4.35Å; W194-E279 VanDerWaalsContact CE2-CA 3.44Å; W194-E279 HydrophobicContact CE3-CG 4.21Å; W194-E279 HydrophobicContact CH2-CB 3.78Å; W194-E279 HydrophobicContact CH2-CG 3.51Å; W194-E279 WeakPolarHBondContact CH2-OE2 3.3Å; W194-E279 HydrophobicContact CZ2-CB 3.43Å; W194-E279 VanDerWaalsContact CZ2-CB 3.43Å; W194-E279 HydrophobicContact CZ2-CG 3.7Å; W194-E279 HydrophobicContact CZ3-CB 4.47Å; W194-E279 HydrophobicContact CZ3-CG 3.8Å; W194-P280 HydrophobicContact CB-CG 3.96Å; W194-P280 VanDerWaalsContact CG-CD 3.45Å; W194-P280 HydrophobicContact CG-CG 4.11Å
195K97.8Very high96.9Very high98 Ų9826.2 Ų26.243%0.42613%0.13SC..Hα-helixtrans-61.2-28.5-176.2-172.764.3175.5177.60112.3K170 A172 N191 L192 L193K170-K195 WeakPolarHBondContact O-CG 3.39Å; A172-K195 HydrophobicContact CB-CG 4.06Å; N191-K195 WeakPolarHBondContact O-CB 3.24Å; N191-K195 PolarHBondContact O-N 3.32Å; L192-K195 PolarHBondContact O-N 3Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.37Å
196N97.6Very high97Very high4 Ų426.5 Ų26.52%0.02113%0.13CC..THydrogen-bonded Turntrans-112.621.2-176.4-60.7-66.9000112.6R171 A172 V173 L192 L193 W194 S198 A201 L202 L205R171-N196 PolarHBondContact O-ND2 3.45Å; A172-N196 VanDerWaalsContact CA-OD1 3.3Å; A172-N196 WeakPolarHBondContact CA-OD1 3.3Å; V173-N196 WeakPolarHBondContact CG2-OD1 3.41Å; V173-N196 PolarHBondContact N-OD1 3.04Å; L192-N196 WeakPolarHBondContact CD1-ND2 3.31Å; L192-N196 PolarHBondContact O-N 3.46Å; L192-N196 PolarHBondContact O-ND2 2.92Å; L193-N196 CarbonylContact O-C 3.5Å; L193-N196 VanDerWaalsContact O-C 3.31Å; L193-N196 PolarHBondContact O-N 2.93Å; L193-N196 VanDerWaalsContact O-N 3.17Å; W194-N196 PolarHBondContact O-N 2.92Å; W194-N196 VanDerWaalsContact O-N 3.14Å; N196-S198 PolarHBondContact O-N 3.01Å; N196-A201 HydrophobicContact CB-CB 4.08Å; N196-A201 WeakPolarHBondContact O-CB 3.23Å; N196-L202 WeakPolarHBondContact O-CD2 3.41Å; N196-L202 WeakPolarHBondContact O-CG 3.36Å; N196-L205 HydrophobicContact CB-CD1 3.88Å; N196-L205 HydrophobicContact CB-CD2 4.14Å
197W96.9Very high97.1Very high19 Ų1924.4 Ų24.47%0.07212%0.121CC..  trans-76.369.5-172.2-160-104.2000112.7L193 W194 L202 Y230 H233 A234 L269 A273L193-W197 HydrophobicContact CB-CE3 4.14Å; L193-W197 HydrophobicContact CB-CZ3 4.23Å; L193-W197 HydrophobicContact CD2-CZ3 4.43Å; L193-W197 WeakPolarHBondContact O-CA 3.4Å; L193-W197 WeakPolarHBondContact O-CB 3.41Å; L193-W197 PolarHBondContact O-N 3.43Å; W194-W197 WeakPolarHBondContact O-CB 3.33Å; W194-W197 PolarHBondContact O-N 3.42Å; W197-L202 HydrophobicContact CD2-CD1 4.46Å; W197-L202 HydrophobicContact CE3-CD1 4.04Å; W197-L202 HydrophobicContact CE3-CD2 4.17Å; W197-L202 HydrophobicContact CZ3-CD1 4.11Å; W197-L202 HydrophobicContact CZ3-CD2 4.48Å; W197-Y230 HydrophobicContact CB-CD1 4.19Å; W197-Y230 HydrophobicContact CB-CE1 4.15Å; W197-Y230 AromaticContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CE1 4.14Å; W197-Y230 AromaticContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CG 4.47Å; W197-Y230 AromaticContact CG-CD1 3.73Å; W197-Y230 HydrophobicContact CG-CD1 3.73Å; W197-Y230 AromaticContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CZ3-CD1 4.35Å; W197-H233 HydrophobicContact CH2-CB 3.47Å; W197-H233 VanDerWaalsContact CH2-CB 3.47Å; W197-H233 HydrophobicContact CZ2-CB 3.45Å; W197-H233 VanDerWaalsContact CZ2-CB 3.45Å; W197-A234 HydrophobicContact CH2-CB 4.4Å; W197-A234 HydrophobicContact CZ3-CB 4.3Å; W197-L269 HydrophobicContact CH2-CD1 4.45Å; W197-L269 HydrophobicContact CZ2-CD1 3.92Å; W197-A273 PolarHBondContact NE1-O 3.18Å
198S95Very high97.1Very high46 Ų4624.3 Ų24.332%0.32212%0.121SC..SBendtrans-147.4160.3177.284.40000111.3N196 D200 A201 L202N196-S198 PolarHBondContact O-N 3.01Å; S198-D200 PolarHBondContact O-N 3.03Å; S198-D200 PolarHBondContact OG-N 3.14Å; S198-A201 PolarHBondContact O-N 3.02Å; S198-A201 VanDerWaalsContact OG-CB 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.38Å; S198-A201 PolarHBondContact OG-N 3.08Å; S198-L202 WeakPolarHBondContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 3.35Å
199R93.9Very high97.2Very high101 Ų10123.3 Ų23.338%0.38112%0.115SC..THydrogen-bonded Turntrans-68.1-21.5177.6-65.6-174-178.1168.75.8113.6P203 L266 W274R199-P203 VanDerWaalsContact O-CD 3.28Å; R199-P203 WeakPolarHBondContact O-CD 3.48Å; R199-P203 VanDerWaalsContact O-CG 3.3Å; R199-P203 WeakPolarHBondContact O-CG 3.47Å; R199-L266 HydrophobicContact CB-CD1 4.38Å; R199-L266 HydrophobicContact CG-CD1 4.43Å; R199-W274 HydrophobicContact CG-CD2 4.03Å; R199-W274 HydrophobicContact CG-CE3 4.23Å; R199-W274 HydrophobicContact CG-CH2 4.4Å; R199-W274 HydrophobicContact CG-CZ2 4.21Å; R199-W274 HydrophobicContact CG-CZ3 4.41Å
200D93.5Very high97.1Very high95 Ų9524.1 Ų24.151%0.50812%0.12SC..THydrogen-bonded Turntrans-90-32.6178.7-69.6-13.2000111R96 S198R96-D200 IonicContact CZ-OD1 3.79Å; R96-D200 IonicContact CZ-OD2 3.51Å; R96-D200 IonicContact NH1-OD1 2.85Å; R96-D200 PolarHBondContact NH1-OD1 2.84Å; R96-D200 IonicContact NH1-OD2 3.28Å; R96-D200 PolarHBondContact NH1-OD2 3.08Å; R96-D200 IonicContact NH2-OD1 3.9Å; R96-D200 IonicContact NH2-OD2 2.89Å; R96-D200 PolarHBondContact NH2-OD2 2.84Å; S198-D200 PolarHBondContact O-N 3.03Å; S198-D200 PolarHBondContact OG-N 3.14Å
201A95.9Very high97.1Very high14 Ų1424.8 Ų24.812%0.11613%0.125CC..THydrogen-bonded Turntrans-90.7-43.6-174.700000113.8V173 N196 S198 P203 L204 L205V173-A201 HydrophobicContact CG2-CB 3.9Å; N196-A201 HydrophobicContact CB-CB 4.08Å; N196-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 3.02Å; S198-A201 VanDerWaalsContact OG-CB 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.38Å; S198-A201 PolarHBondContact OG-N 3.08Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact C-N 3.32Å; A201-L204 VanDerWaalsContact O-CB 3.32Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 2.8Å; A201-L205 WeakPolarHBondContact O-CD1 3.25Å
202L97Very high97.1Very high0 Ų024.7 Ų24.70%012%0.124CC..G310 helixtrans-54.2-40.6-179.2-71.8-179.6000113.6L193 N196 W197 S198 L204 L205 F261 L266 W274L193-L202 HydrophobicContact CD2-CD2 4.2Å; N196-L202 WeakPolarHBondContact O-CD2 3.41Å; N196-L202 WeakPolarHBondContact O-CG 3.36Å; W197-L202 HydrophobicContact CD2-CD1 4.46Å; W197-L202 HydrophobicContact CE3-CD1 4.04Å; W197-L202 HydrophobicContact CE3-CD2 4.17Å; W197-L202 HydrophobicContact CZ3-CD1 4.11Å; W197-L202 HydrophobicContact CZ3-CD2 4.48Å; S198-L202 WeakPolarHBondContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 3.35Å; L202-L204 PolarHBondContact O-N 3.26Å; L202-L204 VanDerWaalsContact O-N 3.14Å; L202-L205 WeakPolarHBondContact O-CB 3.4Å; L202-L205 PolarHBondContact O-N 3.03Å; L202-F261 HydrophobicContact CB-CB 3.97Å; L202-F261 HydrophobicContact CB-CD1 4.39Å; L202-F261 HydrophobicContact CB-CD2 4.37Å; L202-F261 HydrophobicContact CB-CG 4Å; L202-F261 HydrophobicContact CD1-CD1 4.31Å; L202-F261 WeakPolarHBondContact O-CD2 3.28Å; L202-L266 HydrophobicContact CB-CD1 4.12Å; L202-L266 HydrophobicContact CD1-CD1 4.45Å; L202-L266 HydrophobicContact CD1-CD2 4.08Å; L202-W274 HydrophobicContact CD1-CH2 3.83Å; L202-W274 HydrophobicContact CD1-CZ3 3.7Å
203P96.3Very high97Very high29 Ų2926.5 Ų26.519%0.18814%0.139CC..G310 helixtrans-64-15177-23.936.5000115.3R199 A201 L205 F261 P263 L266R199-P203 VanDerWaalsContact O-CD 3.28Å; R199-P203 WeakPolarHBondContact O-CD 3.48Å; R199-P203 VanDerWaalsContact O-CG 3.3Å; R199-P203 WeakPolarHBondContact O-CG 3.47Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact C-N 3.32Å; P203-L205 VanDerWaalsContact C-N 3.33Å; P203-F261 VanDerWaalsContact CA-O 3.31Å; P203-F261 WeakPolarHBondContact CA-O 3.4Å; P203-P263 HydrophobicContact CB-CG 4.15Å; P203-P263 HydrophobicContact CG-CG 3.99Å; P203-L266 HydrophobicContact CG-CD1 3.96Å
204L96.6Very high97Very high22 Ų2226.9 Ų26.912%0.11514%0.143CC..G310 helixtrans-83.8-9.8175-59.7174.4000112.6P99 V173 P176 T177 A201 L202P99-L204 HydrophobicContact CB-CD2 3.49Å; P99-L204 VanDerWaalsContact CB-CD2 3.49Å; P99-L204 HydrophobicContact CG-CD2 3.32Å; V173-L204 HydrophobicContact CB-CB 4.3Å; V173-L204 HydrophobicContact CB-CD1 4.48Å; V173-L204 HydrophobicContact CG2-CB 3.83Å; V173-L204 HydrophobicContact CG2-CD1 3.88Å; V173-L204 HydrophobicContact CG2-CG 4.45Å; P176-L204 WeakPolarHBondContact CA-O 3.5Å; P176-L204 HydrophobicContact CG-CD2 4.2Å; T177-L204 PolarHBondContact N-O 2.86Å; A201-L204 VanDerWaalsContact O-CB 3.32Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 2.8Å; L202-L204 PolarHBondContact O-N 3.26Å; L202-L204 VanDerWaalsContact O-N 3.14Å
205L97.6Very high96.9Very high1 Ų125 Ų251%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-90.7124.4-178.4-81.167000110V173 F179 L192 N196 A201 L202 P203 I207 F261V173-L205 HydrophobicContact CB-CD1 4.11Å; V173-L205 HydrophobicContact CG1-CD1 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.18Å; V173-L205 HydrophobicContact CG2-CD1 3.52Å; F179-L205 HydrophobicContact CD2-CG 4.26Å; F179-L205 HydrophobicContact CE2-CG 4.05Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD2-CD2 4.34Å; L192-L205 HydrophobicContact CG-CD2 4.05Å; N196-L205 HydrophobicContact CB-CD1 3.88Å; N196-L205 HydrophobicContact CB-CD2 4.14Å; A201-L205 WeakPolarHBondContact O-CD1 3.25Å; L202-L205 WeakPolarHBondContact O-CB 3.4Å; L202-L205 PolarHBondContact O-N 3.03Å; P203-L205 VanDerWaalsContact C-N 3.33Å; L205-I207 HydrophobicContact CD2-CD1 4.48Å; L205-F261 HydrophobicContact CB-CD2 4.32Å; L205-F261 HydrophobicContact CB-CE2 4.45Å
206T98Very high96.8Very high14 Ų1423.1 Ų23.19%0.08613%0.129CC..EExtended strand (participates in β ladder)trans-110.8130.2155.9-63.10000107.8V69 T177 L178 F179 L258 T260V69-T206 HydrophobicContact CG1-CG2 4.3Å; T177-T206 PolarHBondContact O-N 3Å; L178-T206 CarbonylContact C-O 3.56Å; L178-T206 WeakPolarHBondContact CA-O 3.19Å; L178-T206 HydrophobicContact CD1-CG2 3.54Å; F179-T206 PolarHBondContact N-O 2.89Å; T206-L258 HydrophobicContact CG2-CD1 3.48Å; T206-L258 VanDerWaalsContact CG2-CD1 3.48Å; T206-T260 HydrophobicContact CG2-CG2 4.18Å
207I98.7Very high96.7Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-119.7130.2-179.6-57.7168000109.3F179 L181 Y189 L192 L205 F212 L258 I259 F261F179-I207 HydrophobicContact CB-CG1 4.37Å; F179-I207 CarbonylContact O-C 3.14Å; F179-I207 WeakPolarHBondContact O-CA 3.02Å; L181-I207 HydrophobicContact CD1-CG2 3.89Å; Y189-I207 HydrophobicContact CD1-CG2 4.38Å; Y189-I207 HydrophobicContact CE1-CG2 3.95Å; L192-I207 HydrophobicContact CD2-CD1 4.13Å; L192-I207 HydrophobicContact CD2-CG1 4.34Å; L205-I207 HydrophobicContact CD2-CD1 4.48Å; I207-F212 HydrophobicContact CD1-CZ 4.1Å; I207-L258 CarbonylContact O-C 3.53Å; I207-L258 WeakPolarHBondContact O-CA 3.04Å; I207-I259 HydrophobicContact CB-CB 4.18Å; I207-I259 PolarHBondContact N-O 3.01Å; I207-I259 PolarHBondContact O-N 3.4Å; I207-F261 HydrophobicContact CD1-CE2 4.33Å
208I98.7Very high96.6Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-108.3115.9162.4-61.7168.4000106.9W62 L66 I129 L178 F179 Y180 L181 M182 L243 T256 A257 L258W62-I208 HydrophobicContact CZ3-CG2 4.34Å; L66-I208 HydrophobicContact CD1-CD1 4.2Å; L66-I208 HydrophobicContact CD2-CD1 3.52Å; L66-I208 HydrophobicContact CD2-CG1 4.03Å; I129-I208 HydrophobicContact CD1-CD1 3.73Å; I129-I208 HydrophobicContact CG2-CD1 4.28Å; L178-I208 HydrophobicContact CD1-CD1 3.85Å; L178-I208 HydrophobicContact CD1-CG1 3.94Å; L178-I208 HydrophobicContact CD2-CD1 4.28Å; F179-I208 PolarHBondContact O-N 3.43Å; Y180-I208 HydrophobicContact CD2-CB 3.95Å; Y180-I208 HydrophobicContact CD2-CD1 4.35Å; Y180-I208 HydrophobicContact CD2-CG2 3.88Å; Y180-I208 HydrophobicContact CE2-CG2 3.94Å; L181-I208 PolarHBondContact N-O 2.76Å; M182-I208 HydrophobicContact SD-CG2 4.05Å; I208-L243 HydrophobicContact CG2-CD1 4.16Å; I208-T256 HydrophobicContact CG2-CG2 4.1Å; I208-A257 WeakPolarHBondContact CA-O 3.32Å; I208-L258 HydrophobicContact CG1-CD1 3.98Å
209G98.2Very high96.6Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-179.9-160.9-174.400000112.9Y189 T256 A257Y189-G209 WeakPolarHBondContact OH-CA 3.34Å; G209-T256 CarbonylContact O-C 3.51Å; G209-T256 WeakPolarHBondContact O-CA 3.49Å; G209-A257 PolarHBondContact N-O 3.07Å; G209-A257 VanDerWaalsContact N-O 3.09Å; G209-A257 PolarHBondContact O-N 2.87Å
210N97.3Very high96.6Very high16 Ų1634.8 Ų34.89%0.08618%0.183CC..EExtended strand (participates in β ladder)trans-62.8137.4-179.9-58.5-13.4000110.5H183 C184 Y189 F212 I215 D255H183-N210 VanDerWaalsContact CA-OD1 3.3Å; H183-N210 WeakPolarHBondContact CA-OD1 3.46Å; H183-N210 PolarHBondContact N-OD1 3.16Å; H183-N210 VanDerWaalsContact N-OD1 3.07Å; C184-N210 PolarHBondContact O-ND2 3.2Å; Y189-N210 HydrophobicContact CE2-CB 4.3Å; Y189-N210 PolarHBondContact OH-N 2.73Å; N210-F212 PolarHBondContact O-N 3.04Å; N210-I215 HydrophobicContact CB-CD1 4.12Å; N210-I215 HydrophobicContact CB-CG1 4.49Å; N210-D255 CarbonylContact C-O 3.49Å; N210-D255 VanDerWaalsContact CA-O 3.3Å; N210-D255 WeakPolarHBondContact CA-O 2.99Å
211S97.9Very high96.6Very high16 Ų1634.7 Ų34.711%0.11218%0.18CC..  trans-53.9124.1174.4174.90000111.2A213 G214 I215 E240 D255S211-A213 VanDerWaalsContact C-N 3.34Å; S211-G214 PolarHBondContact O-N 3.13Å; S211-G214 PolarHBondContact OG-N 2.89Å; S211-I215 WeakPolarHBondContact O-CG1 3.32Å; S211-I215 PolarHBondContact O-N 3.01Å; S211-E240 WeakPolarHBondContact CA-OE1 3.42Å; S211-E240 WeakPolarHBondContact CB-OE1 3.46Å; S211-E240 PolarHBondContact OG-OE1 2.94Å; S211-D255 PolarHBondContact N-O 2.92Å
212F98.1Very high96.5Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-69.9-38174.8-71.7-9.9000110.5Y189 L193 I207 N210 G214 I215 Q216 I231 A234 V235 E240 I259 F261Y189-F212 AromaticContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CE1 3.48Å; Y189-F212 VanDerWaalsContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CZ 4.01Å; Y189-F212 HydrophobicContact CE1-CE1 4.1Å; Y189-F212 HydrophobicContact CG-CE1 4Å; L193-F212 HydrophobicContact CD1-CE2 3.96Å; L193-F212 HydrophobicContact CD1-CZ 3.85Å; L193-F212 HydrophobicContact CD2-CE2 4.3Å; L193-F212 HydrophobicContact CD2-CZ 4.43Å; L193-F212 HydrophobicContact CG-CZ 4.43Å; I207-F212 HydrophobicContact CD1-CZ 4.1Å; N210-F212 PolarHBondContact O-N 3.04Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.81Å; F212-I215 HydrophobicContact CD1-CD1 4.21Å; F212-I215 PolarHBondContact O-N 3.03Å; F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-I231 HydrophobicContact CB-CG2 4.39Å; F212-I231 HydrophobicContact CD1-CG2 4.23Å; F212-I231 HydrophobicContact CG-CG2 4.27Å; F212-A234 HydrophobicContact CD2-CB 3.91Å; F212-A234 HydrophobicContact CE2-CB 3.86Å; F212-V235 HydrophobicContact CB-CG2 3.65Å; F212-E240 PolarHBondContact N-OE2 3.22Å; F212-I259 HydrophobicContact CD1-CD1 3.83Å; F212-I259 HydrophobicContact CD2-CD1 4.08Å; F212-I259 HydrophobicContact CD2-CG2 4.06Å; F212-I259 HydrophobicContact CE1-CD1 3.93Å; F212-I259 HydrophobicContact CE2-CD1 4.16Å; F212-I259 HydrophobicContact CE2-CG2 3.9Å; F212-I259 HydrophobicContact CG-CD1 3.92Å; F212-I259 HydrophobicContact CZ-CD1 4.09Å; F212-F261 HydrophobicContact CE2-CZ 4.21Å
213A97Very high96.3Very high39 Ų3945.3 Ų45.332%0.32222%0.219SC..Hα-helixtrans-57.8-45.5168.900000111.5S211 I215 Q216 D217 E240S211-A213 VanDerWaalsContact C-N 3.34Å; A213-I215 PolarHBondContact O-N 2.67Å; A213-Q216 WeakPolarHBondContact O-CB 3.44Å; A213-Q216 PolarHBondContact O-N 3.36Å; A213-D217 PolarHBondContact O-N 2.88Å; A213-E240 PolarHBondContact N-OE2 2.79Å
214G96.5Very high96.2Very high8 Ų844 Ų448%0.08221%0.21CC..Hα-helixtrans-62.8-39.9176.900000113.3S211 F212 R218S211-G214 PolarHBondContact O-N 3.13Å; S211-G214 PolarHBondContact OG-N 2.89Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.81Å; G214-R218 VanDerWaalsContact C-CZ 3.49Å; G214-R218 WeakPolarHBondContact O-CG 3.39Å; G214-R218 PolarHBondContact O-N 2.94Å; G214-R218 PolarHBondContact O-NE 2.84Å; G214-R218 PolarHBondContact O-NH1 3.02Å
215I96.2Very high96.1Very high4 Ų446.6 Ų46.62%0.02122%0.222CC..Hα-helixtrans-61.4-47.9172.1-69.7167000110K186 N210 S211 F212 A213 D217 R218 M219 L224 I231K186-I215 HydrophobicContact CD-CG2 4.01Å; K186-I215 HydrophobicContact CG-CD1 4.29Å; K186-I215 HydrophobicContact CG-CG1 4.44Å; K186-I215 HydrophobicContact CG-CG2 4.19Å; N210-I215 HydrophobicContact CB-CD1 4.12Å; N210-I215 HydrophobicContact CB-CG1 4.49Å; S211-I215 WeakPolarHBondContact O-CG1 3.32Å; S211-I215 PolarHBondContact O-N 3.01Å; F212-I215 HydrophobicContact CD1-CD1 4.21Å; F212-I215 PolarHBondContact O-N 3.03Å; A213-I215 PolarHBondContact O-N 2.67Å; I215-D217 VanDerWaalsContact C-N 3.35Å; I215-D217 PolarHBondContact O-N 3.02Å; I215-R218 PolarHBondContact O-N 3.45Å; I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 HydrophobicContact CG2-SD 3.75Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 2.6Å; I215-M219 VanDerWaalsContact O-N 3.16Å; I215-L224 HydrophobicContact CG2-CD1 4.13Å; I215-I231 HydrophobicContact CD1-CD1 4.42Å; I215-I231 HydrophobicContact CG2-CG2 4.18Å
216Q96.4Very high95.8Very high57 Ų5752.5 Ų52.527%0.26624%0.244SC..Hα-helixtrans-59.7-44.1179.4179.3177-55.600112.1F212 A213 R218 M219 L224 V235F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 PolarHBondContact O-N 3.1Å; A213-Q216 WeakPolarHBondContact O-CB 3.44Å; A213-Q216 PolarHBondContact O-N 3.36Å; Q216-R218 VanDerWaalsContact C-N 3.32Å; Q216-R218 PolarHBondContact O-N 3.38Å; Q216-M219 PolarHBondContact O-N 3.38Å; Q216-L224 HydrophobicContact CB-CD2 3.99Å; Q216-L224 HydrophobicContact CG-CD2 3.82Å; Q216-V235 HydrophobicContact CB-CG2 4.38Å; Q216-V235 VanDerWaalsContact OE1-CG1 3.29Å
217D95.9Very high95.6Very high131 Ų13152.4 Ų52.470%0.70124%0.243SC*.Hα-helixtrans-66.8-31.7-177.5-74.7-12.8000113.3A213 I215A213-D217 PolarHBondContact O-N 2.88Å; I215-D217 VanDerWaalsContact C-N 3.35Å; I215-D217 PolarHBondContact O-N 3.02Å
218R94.7Very high95.4Very high153 Ų15352.7 Ų52.758%0.57725%0.245SC*.Hα-helixtrans-88.6-17.1-178.1-66.2-175.2-60.1-996.1113.4G214 I215 Q216 D255G214-R218 VanDerWaalsContact C-CZ 3.49Å; G214-R218 WeakPolarHBondContact O-CG 3.39Å; G214-R218 PolarHBondContact O-N 2.94Å; G214-R218 PolarHBondContact O-NE 2.84Å; G214-R218 PolarHBondContact O-NH1 3.02Å; I215-R218 PolarHBondContact O-N 3.45Å; Q216-R218 VanDerWaalsContact C-N 3.32Å; Q216-R218 PolarHBondContact O-N 3.38Å; R218-D255 IonicContact CZ-OD1 3.22Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 VanDerWaalsContact NH1-CG 3.28Å; R218-D255 IonicContact NH1-OD1 3.23Å; R218-D255 PolarHBondContact NH1-OD1 3.4Å; R218-D255 IonicContact NH1-OD2 2.79Å; R218-D255 PolarHBondContact NH1-OD2 3.15Å; R218-D255 IonicContact NH2-OD1 3.76Å; R218-D255 IonicContact NH2-OD2 2.67Å; R218-D255 PolarHBondContact NH2-OD2 3.07Å
219M93.9Very high95.2Very high38 Ų3854.2 Ų54.219%0.18726%0.255CS..SBendtrans-97.2149.6-177.5-70.5-166.872.600112.6K186 I215 Q216 Q221 L224 Y228K186-M219 HydrophobicContact CD-CE 4.33Å; K186-M219 HydrophobicContact CD-CG 4.44Å; K186-M219 HydrophobicContact CD-SD 3.41Å; K186-M219 WeakPolarHBondContact CD-SD 3.5Å; I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 HydrophobicContact CG2-SD 3.75Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 2.6Å; I215-M219 VanDerWaalsContact O-N 3.16Å; Q216-M219 PolarHBondContact O-N 3.38Å; M219-Q221 PolarHBondContact O-N 3.21Å; M219-L224 HydrophobicContact CB-CB 4.2Å; M219-L224 HydrophobicContact SD-CD1 3.82Å; M219-Y228 HydrophobicContact CE-CD2 3.55Å; M219-Y228 HydrophobicContact CE-CE2 3.67Å; M219-Y228 HydrophobicContact SD-CD2 4.19Å
220I94.3Very high95.1Very high93 Ų9354.8 Ų54.848%0.47726%0.257SS..  trans-69.8124.2169.9-58.7175.7000107.7R222 E223 L224I220-R222 HydrophobicContact CG2-CG 3.87Å; I220-R222 PolarHBondContact O-N 3Å; I220-E223 HydrophobicContact CB-CB 4.43Å; I220-E223 HydrophobicContact CB-CG 4.41Å; I220-E223 WeakPolarHBondContact O-CA 3.35Å; I220-E223 WeakPolarHBondContact O-CB 3.46Å; I220-E223 PolarHBondContact O-N 3.32Å; I220-L224 PolarHBondContact O-N 2.97Å
221Q93.9Very high95.1Very high94 Ų9454 Ų5444%0.43925%0.253SS..Hα-helixtrans-49-42.8-174.1-173.564.910.900113.7M219 E223 L224 Q225M219-Q221 PolarHBondContact O-N 3.21Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.89Å; Q221-L224 PolarHBondContact O-N 3.36Å; Q221-Q225 HydrophobicContact CG-CG 4.32Å; Q221-Q225 WeakPolarHBondContact O-CB 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.3Å; Q221-Q225 PolarHBondContact O-N 2.92Å
222R93.9Very high95Very high183 Ų18353.4 Ų53.469%0.69125%0.249SC*.Hα-helixtrans-63.9-33.3179.679.6-168.3176.2173.2-1113.1I220 R226I220-R222 HydrophobicContact CG2-CG 3.87Å; I220-R222 PolarHBondContact O-N 3Å; R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.35Å; R222-R226 PolarHBondContact O-N 3.02Å; R222-R226 VanDerWaalsContact O-N 3.12Å
223E93.3Very high94.8Very high54 Ų5456.3 Ų56.325%0.25226%0.263SS..Hα-helixtrans-79.7-41.8-178.8-72.2160.1-155.900109.7I220 Q221 Q225 R226 D227I220-E223 HydrophobicContact CB-CB 4.43Å; I220-E223 HydrophobicContact CB-CG 4.41Å; I220-E223 WeakPolarHBondContact O-CA 3.35Å; I220-E223 WeakPolarHBondContact O-CB 3.46Å; I220-E223 PolarHBondContact O-N 3.32Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.89Å; E223-Q225 VanDerWaalsContact C-N 3.35Å; E223-Q225 PolarHBondContact O-N 2.95Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-D227 WeakPolarHBondContact O-CB 3.28Å; E223-D227 PolarHBondContact O-N 3.47Å
224L94.1Very high94.8Very high0 Ų054.5 Ų54.50%025%0.247CC..Hα-helixtrans-56.4-49.2170.7-17974.1000111.1I215 Q216 M219 I220 Q221 R226 Y228 S229 I231 A232I215-L224 HydrophobicContact CG2-CD1 4.13Å; Q216-L224 HydrophobicContact CB-CD2 3.99Å; Q216-L224 HydrophobicContact CG-CD2 3.82Å; M219-L224 HydrophobicContact CB-CB 4.2Å; M219-L224 HydrophobicContact SD-CD1 3.82Å; I220-L224 PolarHBondContact O-N 2.97Å; Q221-L224 PolarHBondContact O-N 3.36Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 2.94Å; L224-Y228 CarbonylContact O-C 2.99Å; L224-Y228 VanDerWaalsContact O-CA 3.25Å; L224-Y228 WeakPolarHBondContact O-CA 3.3Å; L224-Y228 PolarHBondContact O-N 3.49Å; L224-S229 PolarHBondContact O-N 2.97Å; L224-I231 HydrophobicContact CD1-CB 4.46Å; L224-I231 HydrophobicContact CD1-CG2 4.33Å; L224-A232 HydrophobicContact CD2-CB 3.96Å; L224-A232 HydrophobicContact CG-CB 3.88Å
225Q93Very high94.8Very high77 Ų7755.8 Ų55.836%0.3625%0.254SS..Hα-helixtrans-66.1-33.6-179.6-69.6-68.4-21.400113.3Q221 E223 S229Q221-Q225 HydrophobicContact CG-CG 4.32Å; Q221-Q225 WeakPolarHBondContact O-CB 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.3Å; Q221-Q225 PolarHBondContact O-N 2.92Å; E223-Q225 VanDerWaalsContact C-N 3.35Å; E223-Q225 PolarHBondContact O-N 2.95Å; Q225-S229 WeakPolarHBondContact O-CB 3.5Å
226R92.6Very high94.7Very high126 Ų12659.2 Ų59.248%0.47528%0.277SS..Hα-helixtrans-78-48.9-180-176.2-170.464.6-162.3-11.5112.2R222 E223 L224 H284R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.35Å; R222-R226 PolarHBondContact O-N 3.02Å; R222-R226 VanDerWaalsContact O-N 3.12Å; E223-R226 PolarHBondContact O-N 3.08Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 2.94Å; R226-H284 PolarHBondContact NE-CD2 2.87Å
227D93.2Very high94.6Very high11 Ų1156.5 Ų56.56%0.05927%0.265CS..Hα-helixtrans-101.8-24.3-166.7-56.5-35000112.9N190 E223 Y282 H284N190-D227 PolarHBondContact ND2-O 2.89Å; E223-D227 WeakPolarHBondContact O-CB 3.28Å; E223-D227 PolarHBondContact O-N 3.47Å; D227-Y282 WeakPolarHBondContact O-CE1 3.42Å; D227-H284 IonicContact OD1-CD2 2.69Å
228Y95.3Very high94.7Very high7 Ų751.2 Ų51.23%0.02724%0.238CC..  trans-133.242.3-174.6-56.2-81.1000111.9K186 A187 N190 M219 L224 Y230 I231 A232 Y282 C285K186-Y228 HydrophobicContact CB-CD1 3.8Å; K186-Y228 HydrophobicContact CB-CE1 3.5Å; K186-Y228 VanDerWaalsContact CB-CE1 3.5Å; K186-Y228 HydrophobicContact CB-CG 4.49Å; A187-Y228 HydrophobicContact CB-CE1 4.27Å; N190-Y228 HydrophobicContact CB-CD1 3.84Å; N190-Y228 VanDerWaalsContact OD1-CA 3.27Å; N190-Y228 WeakPolarHBondContact OD1-CA 3.49Å; N190-Y228 PolarHBondContact OD1-O 3.18Å; M219-Y228 HydrophobicContact CE-CD2 3.55Å; M219-Y228 HydrophobicContact CE-CE2 3.67Å; M219-Y228 HydrophobicContact SD-CD2 4.19Å; L224-Y228 CarbonylContact O-C 2.99Å; L224-Y228 VanDerWaalsContact O-CA 3.25Å; L224-Y228 WeakPolarHBondContact O-CA 3.3Å; L224-Y228 PolarHBondContact O-N 3.49Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y228-I231 HydrophobicContact CD1-CD1 4.3Å; Y228-I231 WeakPolarHBondContact O-CB 3.46Å; Y228-I231 PolarHBondContact O-N 3.26Å; Y228-I231 VanDerWaalsContact O-N 3.08Å; Y228-A232 PolarHBondContact O-N 2.94Å; Y228-Y282 AromaticContact CD1-CE1 3.8Å; Y228-Y282 HydrophobicContact CD1-CE1 3.8Å; Y228-Y282 AromaticContact CE1-CD1 3.89Å; Y228-Y282 HydrophobicContact CE1-CD1 3.89Å; Y228-Y282 AromaticContact CE1-CE1 3.47Å; Y228-Y282 HydrophobicContact CE1-CE1 3.47Å; Y228-Y282 VanDerWaalsContact CE1-CE1 3.47Å; Y228-C285 PolarHBondContact OH-SG 3.12Å; Y228-C285 VanDerWaalsContact OH-SG 3.35Å
229S94Very high94.8Very high32 Ų3246.2 Ų46.222%0.22422%0.221CC..Hα-helixtrans-56.6-32.7-173.758.30000113.7L224 Q225 A232 H233L224-S229 PolarHBondContact O-N 2.97Å; Q225-S229 WeakPolarHBondContact O-CB 3.5Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.4Å; S229-H233 VanDerWaalsContact O-CG 3.31Å; S229-H233 PolarHBondContact O-N 2.93Å; S229-H233 PolarHBondContact O-ND1 3.16Å
230Y96.3Very high94.9Very high11 Ų1146.4 Ų46.44%0.04322%0.221CC..Hα-helixtrans-71-37.1178.9-58.4-81.8000111.8N190 W194 W197 Y228 A232 A234 A277 P278 P280N190-Y230 WeakPolarHBondContact OD1-CB 3.18Å; N190-Y230 PolarHBondContact OD1-N 3.36Å; N190-Y230 VanDerWaalsContact OD1-N 3.17Å; W194-Y230 HydrophobicContact CB-CD1 4.31Å; W194-Y230 HydrophobicContact CB-CD2 3.74Å; W194-Y230 HydrophobicContact CB-CE1 4.23Å; W194-Y230 HydrophobicContact CB-CE2 3.67Å; W194-Y230 HydrophobicContact CB-CG 4.08Å; W194-Y230 AromaticContact CD1-CE1 3.97Å; W194-Y230 AromaticContact CD1-CE2 3.76Å; W194-Y230 AromaticContact CD1-CZ 3.36Å; W194-Y230 AromaticContact CG-CE2 3.98Å; W194-Y230 HydrophobicContact CG-CE2 3.98Å; W194-Y230 AromaticContact CG-CZ 3.99Å; W197-Y230 HydrophobicContact CB-CD1 4.19Å; W197-Y230 HydrophobicContact CB-CE1 4.15Å; W197-Y230 AromaticContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CE1 4.14Å; W197-Y230 AromaticContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CG 4.47Å; W197-Y230 AromaticContact CG-CD1 3.73Å; W197-Y230 HydrophobicContact CG-CD1 3.73Å; W197-Y230 AromaticContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CZ3-CD1 4.35Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y230-A232 VanDerWaalsContact C-N 3.34Å; Y230-A234 WeakPolarHBondContact O-CB 3.45Å; Y230-A234 PolarHBondContact O-N 3.34Å; Y230-A277 HydrophobicContact CE1-CB 3.75Å; Y230-A277 WeakPolarHBondContact OH-CB 3.29Å; Y230-P278 PolarHBondContact OH-O 3Å; Y230-P280 HydrophobicContact CD2-CG 4.04Å; Y230-P280 HydrophobicContact CE2-CG 3.79Å
231I97.2Very high95.1Very high0 Ų045.7 Ų45.70%021%0.213CC..Hα-helixtrans-62.8-46.2169.5-60.5177.9000109.3K186 N190 L193 F212 I215 L224 Y228 H233 A234 V235K186-I231 HydrophobicContact CB-CD1 4.25Å; K186-I231 WeakPolarHBondContact O-CD1 3.41Å; N190-I231 HydrophobicContact CB-CD1 4.03Å; N190-I231 HydrophobicContact CB-CG1 4.02Å; N190-I231 PolarHBondContact OD1-N 3.03Å; L193-I231 HydrophobicContact CD1-CB 4.46Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; F212-I231 HydrophobicContact CB-CG2 4.39Å; F212-I231 HydrophobicContact CD1-CG2 4.23Å; F212-I231 HydrophobicContact CG-CG2 4.27Å; I215-I231 HydrophobicContact CD1-CD1 4.42Å; I215-I231 HydrophobicContact CG2-CG2 4.18Å; L224-I231 HydrophobicContact CD1-CB 4.46Å; L224-I231 HydrophobicContact CD1-CG2 4.33Å; Y228-I231 HydrophobicContact CD1-CD1 4.3Å; Y228-I231 WeakPolarHBondContact O-CB 3.46Å; Y228-I231 PolarHBondContact O-N 3.26Å; Y228-I231 VanDerWaalsContact O-N 3.08Å; I231-H233 VanDerWaalsContact C-N 3.29Å; I231-H233 PolarHBondContact O-N 2.98Å; I231-A234 PolarHBondContact O-N 3.1Å; I231-A234 VanDerWaalsContact O-N 3.08Å; I231-V235 WeakPolarHBondContact O-CG2 3.49Å; I231-V235 PolarHBondContact O-N 2.78Å; I231-V235 VanDerWaalsContact O-N 3.08Å
232A95.3Very high95.2Very high3 Ų345.6 Ų45.63%0.02522%0.22CC..Hα-helixtrans-58.3-40.5-17900000112.7L224 Y228 S229 Y230L224-A232 HydrophobicContact CD2-CB 3.96Å; L224-A232 HydrophobicContact CG-CB 3.88Å; Y228-A232 PolarHBondContact O-N 2.94Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.4Å; Y230-A232 VanDerWaalsContact C-N 3.34Å
233H94.8Very high95.3Very high62 Ų6237.4 Ų37.429%0.28719%0.19SC..Hα-helixtrans-75.2-36.8174.2-65.4153.1000112.5W197 S229 I231 V235 C236 L269W197-H233 HydrophobicContact CH2-CB 3.47Å; W197-H233 VanDerWaalsContact CH2-CB 3.47Å; W197-H233 HydrophobicContact CZ2-CB 3.45Å; W197-H233 VanDerWaalsContact CZ2-CB 3.45Å; S229-H233 VanDerWaalsContact O-CG 3.31Å; S229-H233 PolarHBondContact O-N 2.93Å; S229-H233 PolarHBondContact O-ND1 3.16Å; I231-H233 VanDerWaalsContact C-N 3.29Å; I231-H233 PolarHBondContact O-N 2.98Å; H233-V235 VanDerWaalsContact C-N 3.3Å; H233-V235 PolarHBondContact O-N 3.42Å; H233-C236 WeakPolarHBondContact O-CB 3.34Å; H233-C236 PolarHBondContact O-N 3.36Å; H233-C236 VanDerWaalsContact O-N 3.12Å; H233-L269 HydrophobicContact CB-CD1 4.44Å
234A96.8Very high95.4Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-60.2-40.1-17900000111.4L193 W197 F212 Y230 I231 C236 V237 C238 F261L193-A234 HydrophobicContact CD1-CB 3.82Å; L193-A234 HydrophobicContact CD2-CB 4.23Å; W197-A234 HydrophobicContact CH2-CB 4.4Å; W197-A234 HydrophobicContact CZ3-CB 4.3Å; F212-A234 HydrophobicContact CD2-CB 3.91Å; F212-A234 HydrophobicContact CE2-CB 3.86Å; Y230-A234 WeakPolarHBondContact O-CB 3.45Å; Y230-A234 PolarHBondContact O-N 3.34Å; I231-A234 PolarHBondContact O-N 3.1Å; I231-A234 VanDerWaalsContact O-N 3.08Å; A234-C236 PolarHBondContact O-N 3.28Å; A234-V237 PolarHBondContact O-N 2.93Å; A234-C238 WeakPolarHBondContact O-CB 3.33Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.43Å; A234-F261 HydrophobicContact CB-CE1 3.98Å; A234-F261 HydrophobicContact CB-CZ 4.2Å
235V95.9Very high95.4Very high36 Ų3638 Ų3822%0.21820%0.199CC..THydrogen-bonded Turntrans-53-32.3176.7176.10000112.5F212 Q216 I231 H233 V237F212-V235 HydrophobicContact CB-CG2 3.65Å; Q216-V235 HydrophobicContact CB-CG2 4.38Å; Q216-V235 VanDerWaalsContact OE1-CG1 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.49Å; I231-V235 PolarHBondContact O-N 2.78Å; I231-V235 VanDerWaalsContact O-N 3.08Å; H233-V235 VanDerWaalsContact C-N 3.3Å; H233-V235 PolarHBondContact O-N 3.42Å; V235-V237 VanDerWaalsContact C-N 3.35Å
236C92.9Very high95.4Very high76 Ų7636.1 Ų36.151%0.51419%0.194SC..THydrogen-bonded Turntrans-75.8-20.7179.7-64.60000114.1H233 A234H233-C236 WeakPolarHBondContact O-CB 3.34Å; H233-C236 PolarHBondContact O-N 3.36Å; H233-C236 VanDerWaalsContact O-N 3.12Å; A234-C236 PolarHBondContact O-N 3.28Å
237V95.7Very high95.5Very high0 Ų035 Ų350%021%0.205CC..THydrogen-bonded Turntrans-127-16.3-168.4-63.30000114.8A234 V235 F261 S265 L266 K268 L269A234-V237 PolarHBondContact O-N 2.93Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V237-F261 HydrophobicContact CG2-CD1 4.18Å; V237-F261 HydrophobicContact CG2-CE1 4.27Å; V237-S265 WeakPolarHBondContact CG1-O 2.99Å; V237-S265 WeakPolarHBondContact O-CB 3.45Å; V237-L266 HydrophobicContact CB-CD2 3.94Å; V237-L266 HydrophobicContact CG2-CD2 3.94Å; V237-K268 HydrophobicContact CG1-CB 4.32Å; V237-L269 HydrophobicContact CB-CD1 4.47Å; V237-L269 HydrophobicContact CG1-CD1 3.6Å; V237-L269 HydrophobicContact CG1-CD2 4.31Å; V237-L269 HydrophobicContact CG1-CG 3.49Å; V237-L269 VanDerWaalsContact CG1-CG 3.49Å; V237-L269 HydrophobicContact CG2-CD1 4.06Å
238C97.4Very high95.5Very high20 Ų2040.7 Ų40.714%0.13523%0.226CC..  trans-74.9153.3174.468.40000110.8A234 I259 T260 F261A234-C238 WeakPolarHBondContact O-CB 3.33Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.43Å; C238-I259 HydrophobicContact CB-CG2 3.69Å; C238-T260 CarbonylContact C-O 3.54Å; C238-T260 VanDerWaalsContact CA-O 3.27Å; C238-T260 WeakPolarHBondContact CA-O 3.2Å; C238-T260 WeakPolarHBondContact CB-O 3.32Å; C238-F261 HydrophobicContact CB-CD1 3.95Å; C238-F261 HydrophobicContact CB-CE1 3.57Å; C238-F261 HydrophobicContact CB-CZ 4Å
239E96.7Very high95.5Very high47 Ų4740.6 Ų40.622%0.2223%0.226CC..EExtended strand (participates in β ladder)trans-97.2127.9157.7-61.9-170.4160.100107.6W241 I259 T260 K262E239-W241 HydrophobicContact CB-CE3 4.47Å; E239-W241 HydrophobicContact CB-CH2 3.2Å; E239-W241 HydrophobicContact CB-CZ2 3.67Å; E239-W241 HydrophobicContact CB-CZ3 3.64Å; E239-W241 HydrophobicContact CG-CH2 4.18Å; E239-W241 HydrophobicContact CG-CZ2 4.47Å; E239-W241 WeakPolarHBondContact O-CZ3 3.43Å; E239-W241 WeakPolarHBondContact OE2-CH2 3.26Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.5Å; E239-I259 CarbonylContact O-C 3.31Å; E239-I259 WeakPolarHBondContact O-CA 3.12Å; E239-T260 PolarHBondContact N-O 2.95Å; E239-T260 PolarHBondContact O-N 3.45Å; E239-K262 VanDerWaalsContact CD-CE 3.44Å; E239-K262 VanDerWaalsContact OE1-CD 3.23Å; E239-K262 WeakPolarHBondContact OE1-CD 3.48Å; E239-K262 WeakPolarHBondContact OE1-CE 3.38Å; E239-K262 IonicContact OE1-NZ 2.78Å; E239-K262 PolarHBondContact OE1-NZ 3.37Å; E239-K262 WeakPolarHBondContact OE2-CE 3.42Å; E239-K262 IonicContact OE2-NZ 2.68Å; E239-K262 PolarHBondContact OE2-NZ 3.36Å
240E97Very high95.5Very high42 Ų4243.1 Ų43.120%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-125.4128.7-175.9-176.617814800109.4S211 F212 A213 A257 L258 I259S211-E240 WeakPolarHBondContact CA-OE1 3.42Å; S211-E240 WeakPolarHBondContact CB-OE1 3.46Å; S211-E240 PolarHBondContact OG-OE1 2.94Å; F212-E240 PolarHBondContact N-OE2 3.22Å; A213-E240 PolarHBondContact N-OE2 2.79Å; E240-A257 HydrophobicContact CG-CB 3.64Å; E240-L258 WeakPolarHBondContact CA-O 3.42Å; E240-I259 HydrophobicContact CB-CG1 4.34Å; E240-I259 HydrophobicContact CG-CG1 3.86Å
241W97Very high95.3Very high79 Ų7948.3 Ų48.330%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-121.9112.3174.4-59.6-88.2000109.6E239 L243 A257 L258 T260E239-W241 HydrophobicContact CB-CE3 4.47Å; E239-W241 HydrophobicContact CB-CH2 3.2Å; E239-W241 HydrophobicContact CB-CZ2 3.67Å; E239-W241 HydrophobicContact CB-CZ3 3.64Å; E239-W241 HydrophobicContact CG-CH2 4.18Å; E239-W241 HydrophobicContact CG-CZ2 4.47Å; E239-W241 WeakPolarHBondContact O-CZ3 3.43Å; E239-W241 WeakPolarHBondContact OE2-CH2 3.26Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.5Å; W241-L243 PolarHBondContact O-N 2.74Å; W241-A257 WeakPolarHBondContact O-CA 3.35Å; W241-L258 HydrophobicContact CE3-CB 4.48Å; W241-L258 HydrophobicContact CE3-CG 4.32Å; W241-L258 PolarHBondContact N-O 2.94Å; W241-L258 PolarHBondContact O-N 3.43Å; W241-T260 WeakPolarHBondContact CH2-OG1 3.37Å; W241-T260 HydrophobicContact CZ3-CG2 4.06Å; W241-T260 VanDerWaalsContact CZ3-OG1 3.31Å; W241-T260 WeakPolarHBondContact CZ3-OG1 3.24Å
242P96.9Very high95.2Very high92 Ų9248.7 Ų48.760%0.59727%0.266SS*.EExtended strand (participates in β ladder)trans-55.2131.8170.4-25.234.7000110.3
243L96.7Very high95.2Very high10 Ų1048.5 Ų48.55%0.05227%0.265CS..PPolyproline II helixtrans-93.1132.6177.2-72.7177.8000109.1W62 I208 W241 C245 T256 L258W62-L243 HydrophobicContact CD2-CB 4.17Å; W62-L243 HydrophobicContact CD2-CD1 3.9Å; W62-L243 HydrophobicContact CD2-CD2 4.34Å; W62-L243 HydrophobicContact CD2-CG 4.37Å; W62-L243 HydrophobicContact CE3-CD1 3.91Å; W62-L243 HydrophobicContact CG-CD2 4.13Å; W62-L243 HydrophobicContact CH2-CD1 4.16Å; W62-L243 HydrophobicContact CZ2-CB 3.73Å; W62-L243 HydrophobicContact CZ2-CD1 4.15Å; W62-L243 HydrophobicContact CZ3-CD1 4.03Å; I208-L243 HydrophobicContact CG2-CD1 4.16Å; W241-L243 PolarHBondContact O-N 2.74Å; L243-C245 PolarHBondContact O-N 3.36Å; L243-T256 HydrophobicContact CB-CG2 4.37Å; L243-T256 HydrophobicContact CD1-CG2 4.08Å; L243-T256 PolarHBondContact N-O 3.04Å; L243-L258 HydrophobicContact CD1-CB 4.26Å; L243-L258 HydrophobicContact CD2-CB 4.32Å; L243-L258 HydrophobicContact CG-CB 4.27Å
244P95.1Very high95.2Very high32 Ų3249 Ų4921%0.20827%0.269CS..PPolyproline II helixtrans-63.6140.1-17525.1-34.1000110.8F58 E61 W62F58-P244 HydrophobicContact CB-CB 4.31Å; F58-P244 HydrophobicContact CB-CG 4.21Å; F58-P244 WeakPolarHBondContact CD2-O 3.46Å; E61-P244 HydrophobicContact CB-CG 3.74Å; E61-P244 HydrophobicContact CG-CG 4.39Å; W62-P244 PolarHBondContact NE1-O 3.14Å
245C93.3Very high95.1Very high36 Ų3651.3 Ų51.324%0.24328%0.282CS..  trans-132.7120.2178.9175.30000109.3L243 L249 F253L243-C245 PolarHBondContact O-N 3.36Å; C245-L249 PolarHBondContact SG-O 3.33Å; C245-L249 VanDerWaalsContact SG-O 3.38Å; C245-F253 HydrophobicContact CB-CB 4.21Å; C245-F253 WeakPolarHBondContact CB-O 3.36Å; C245-F253 VanDerWaalsContact SG-C 3.53Å
246P93.5Very high95.2Very high37 Ų3749.8 Ų49.824%0.2427%0.273CS..  trans-70.3149.1176.829.5-33.9000110.7F58 R248 L249 L250F58-P246 HydrophobicContact CD1-CG 3.79Å; F58-P246 HydrophobicContact CE1-CG 3.89Å; F58-P246 HydrophobicContact CG-CG 4.32Å; F58-P246 HydrophobicContact CZ-CG 4.49Å; P246-R248 PolarHBondContact O-N 3.17Å; P246-L249 HydrophobicContact CG-CB 4.05Å; P246-L249 HydrophobicContact CG-CD1 3.71Å; P246-L249 HydrophobicContact CG-CG 3.9Å; P246-L249 PolarHBondContact O-N 3.09Å; P246-L250 PolarHBondContact O-N 3.06Å
247S93.9Very high95.4Very high102 Ų10246.2 Ų46.271%0.71325%0.249SC*.G310 helixtrans-53.2-32.5-176.755.70000114.2L249 L250S247-L249 VanDerWaalsContact C-N 3.28Å; S247-L249 PolarHBondContact O-N 3.2Å; S247-L250 WeakPolarHBondContact O-CD1 3.47Å; S247-L250 WeakPolarHBondContact O-CG 3.42Å
248R94.1Very high95.5Very high131 Ų13146.2 Ų46.249%0.49425%0.249SC..G310 helixtrans-72.3-14.7178.779.9-170.5-176.586.9-5.2114.6E52 P246E52-R248 IonicContact OE1-CZ 2.61Å; E52-R248 VanDerWaalsContact OE1-CZ 3.23Å; E52-R248 IonicContact OE1-NH1 2.74Å; E52-R248 PolarHBondContact OE1-NH1 2.97Å; E52-R248 IonicContact OE1-NH2 3.78Å; E52-R248 PolarHBondContact OE1-NH2 2.74Å; P246-R248 PolarHBondContact O-N 3.17Å
249L95.4Very high95.6Very high5 Ų545.3 Ų45.33%0.02624%0.242CC..G310 helixtrans-120.619.1-178.3-54.2176.5000111.6L53 F58 Y121 C245 P246 S247 D251 I252 F253L53-L249 HydrophobicContact CD2-CD1 4.19Å; F58-L249 HydrophobicContact CE1-CD1 3.79Å; F58-L249 HydrophobicContact CZ-CD1 3.78Å; Y121-L249 HydrophobicContact CD1-CD2 4.33Å; Y121-L249 HydrophobicContact CE1-CD2 4.06Å; C245-L249 PolarHBondContact SG-O 3.33Å; C245-L249 VanDerWaalsContact SG-O 3.38Å; P246-L249 HydrophobicContact CG-CB 4.05Å; P246-L249 HydrophobicContact CG-CD1 3.71Å; P246-L249 HydrophobicContact CG-CG 3.9Å; P246-L249 PolarHBondContact O-N 3.09Å; S247-L249 VanDerWaalsContact C-N 3.28Å; S247-L249 PolarHBondContact O-N 3.2Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 3.44Å; L249-I252 HydrophobicContact CB-CB 4.44Å; L249-I252 HydrophobicContact CD2-CD1 3.91Å; L249-I252 WeakPolarHBondContact O-CA 3.13Å; L249-I252 WeakPolarHBondContact O-CB 3.46Å; L249-I252 PolarHBondContact O-N 2.96Å; L249-F253 HydrophobicContact CB-CD2 3.86Å; L249-F253 HydrophobicContact CB-CE2 4.39Å; L249-F253 HydrophobicContact CD1-CD2 3.99Å; L249-F253 HydrophobicContact CD1-CE2 3.87Å; L249-F253 PolarHBondContact O-N 3.13Å
250L94.1Very high95.6Very high85 Ų8543.7 Ų43.745%0.44524%0.236SC..Hα-helixtrans-57.5-41.7-179.1-78.6169.8000111.7P246 S247 I252 N254P246-L250 PolarHBondContact O-N 3.06Å; S247-L250 WeakPolarHBondContact O-CD1 3.47Å; S247-L250 WeakPolarHBondContact O-CG 3.42Å; L250-I252 PolarHBondContact O-N 3.27Å; L250-I252 VanDerWaalsContact O-N 3.08Å; L250-N254 HydrophobicContact CD2-CB 4.4Å; L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-OD1 3.08Å
251D91.8Very high95.6Very high119 Ų11942 Ų4264%0.63623%0.228SC*.Hα-helixtrans-68.8-1.1176.830.5-48.3000113.8L249L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 3.44Å
252I94.7Very high95.5Very high8 Ų842.1 Ų42.14%0.04123%0.231CC..Hα-helixtrans-118.5-46179.9-49-173.1000112.2T118 Y121 Q122 H183 L249 L250T118-I252 HydrophobicContact CG2-CB 4.32Å; T118-I252 HydrophobicContact CG2-CG1 4.27Å; T118-I252 HydrophobicContact CG2-CG2 4.15Å; Y121-I252 HydrophobicContact CD1-CD1 4.15Å; Y121-I252 HydrophobicContact CD2-CD1 3.7Å; Y121-I252 HydrophobicContact CE2-CD1 4.31Å; Y121-I252 HydrophobicContact CG-CD1 3.61Å; Y121-I252 HydrophobicContact CG-CG2 4.49Å; Q122-I252 HydrophobicContact CG-CG2 4.16Å; H183-I252 PolarHBondContact CD2-O 3.27Å; H183-I252 PolarHBondContact NE2-O 2.92Å; L249-I252 HydrophobicContact CB-CB 4.44Å; L249-I252 HydrophobicContact CD2-CD1 3.91Å; L249-I252 WeakPolarHBondContact O-CA 3.13Å; L249-I252 WeakPolarHBondContact O-CB 3.46Å; L249-I252 PolarHBondContact O-N 2.96Å; L250-I252 PolarHBondContact O-N 3.27Å; L250-I252 VanDerWaalsContact O-N 3.08Å
253F96.4Very high95.3Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-125.615.1-171.2-53.8-60.2000113.5L53 F58 W62 Q122 M125 M182 C245 L249 T256L53-F253 HydrophobicContact CD1-CZ 4.4Å; L53-F253 HydrophobicContact CD2-CE2 4.02Å; L53-F253 HydrophobicContact CD2-CZ 4.37Å; F58-F253 HydrophobicContact CE2-CD2 4.22Å; F58-F253 HydrophobicContact CE2-CE2 4.41Å; F58-F253 HydrophobicContact CZ-CD2 4.15Å; F58-F253 HydrophobicContact CZ-CE2 4.05Å; W62-F253 HydrophobicContact CH2-CD1 4.03Å; W62-F253 HydrophobicContact CH2-CG 4.41Å; W62-F253 HydrophobicContact CZ2-CB 4.31Å; W62-F253 HydrophobicContact CZ2-CG 4.48Å; Q122-F253 HydrophobicContact CG-CE1 4.39Å; M125-F253 HydrophobicContact CB-CE1 3.9Å; M125-F253 HydrophobicContact CB-CZ 3.93Å; M125-F253 HydrophobicContact CE-CE1 4.26Å; M125-F253 HydrophobicContact CE-CE2 4.08Å; M125-F253 HydrophobicContact CE-CZ 3.82Å; M125-F253 HydrophobicContact CG-CE1 4.05Å; M125-F253 HydrophobicContact CG-CZ 4.3Å; M182-F253 HydrophobicContact CE-CD1 3.7Å; C245-F253 HydrophobicContact CB-CB 4.21Å; C245-F253 WeakPolarHBondContact CB-O 3.36Å; C245-F253 VanDerWaalsContact SG-C 3.53Å; L249-F253 HydrophobicContact CB-CD2 3.86Å; L249-F253 HydrophobicContact CB-CE2 4.39Å; L249-F253 HydrophobicContact CD1-CD2 3.99Å; L249-F253 HydrophobicContact CD1-CE2 3.87Å; L249-F253 PolarHBondContact O-N 3.13Å; F253-T256 WeakPolarHBondContact O-CB 3.38Å; F253-T256 PolarHBondContact O-OG1 2.94Å
254N93.9Very high95.2Very high71 Ų7145.6 Ų45.638%0.3826%0.256SS..THydrogen-bonded Turntrans-59.5158.8171.864.6-29.5000111.4H183 L250 T256H183-N254 PolarHBondContact CE1-O 3.3Å; H183-N254 VanDerWaalsContact CE1-O 3.32Å; H183-N254 PolarHBondContact CE1-OD1 2.83Å; H183-N254 PolarHBondContact NE2-OD1 3.11Å; L250-N254 HydrophobicContact CD2-CB 4.4Å; L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-OD1 3.08Å; N254-T256 PolarHBondContact O-N 3.2Å; N254-T256 PolarHBondContact O-OG1 3.41Å
255D94.8Very high95Very high49 Ų4944.5 Ų44.526%0.26225%0.249SC..THydrogen-bonded Turntrans54.521.2172.9-160.960.8000114.2N210 S211 R218N210-D255 CarbonylContact C-O 3.49Å; N210-D255 VanDerWaalsContact CA-O 3.3Å; N210-D255 WeakPolarHBondContact CA-O 2.99Å; S211-D255 PolarHBondContact N-O 2.92Å; R218-D255 IonicContact CZ-OD1 3.22Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 VanDerWaalsContact NH1-CG 3.28Å; R218-D255 IonicContact NH1-OD1 3.23Å; R218-D255 PolarHBondContact NH1-OD1 3.4Å; R218-D255 IonicContact NH1-OD2 2.79Å; R218-D255 PolarHBondContact NH1-OD2 3.15Å; R218-D255 IonicContact NH2-OD1 3.76Å; R218-D255 IonicContact NH2-OD2 2.67Å; R218-D255 PolarHBondContact NH2-OD2 3.07Å
256T97.4Very high95.1Very high5 Ų542.9 Ų42.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-92.1133.9-175.8-56.90000110.4W62 M182 I208 G209 L243 F253 N254W62-T256 HydrophobicContact CH2-CG2 3.71Å; W62-T256 HydrophobicContact CZ2-CG2 4.12Å; M182-T256 HydrophobicContact CE-CG2 3.77Å; M182-T256 WeakPolarHBondContact CE-OG1 3.39Å; M182-T256 HydrophobicContact SD-CG2 3.34Å; M182-T256 WeakPolarHBondContact SD-CG2 3.39Å; I208-T256 HydrophobicContact CG2-CG2 4.1Å; G209-T256 CarbonylContact O-C 3.51Å; G209-T256 WeakPolarHBondContact O-CA 3.49Å; L243-T256 HydrophobicContact CB-CG2 4.37Å; L243-T256 HydrophobicContact CD1-CG2 4.08Å; L243-T256 PolarHBondContact N-O 3.04Å; F253-T256 WeakPolarHBondContact O-CB 3.38Å; F253-T256 PolarHBondContact O-OG1 2.94Å; N254-T256 PolarHBondContact O-N 3.2Å; N254-T256 PolarHBondContact O-OG1 3.41Å
257A98.1Very high94.9Very high0 Ų045.5 Ų45.50%026%0.256CS..EExtended strand (participates in β ladder)trans-137153.4179.500000111.3I208 G209 E240 W241 I259I208-A257 WeakPolarHBondContact CA-O 3.32Å; G209-A257 PolarHBondContact N-O 3.07Å; G209-A257 VanDerWaalsContact N-O 3.09Å; G209-A257 PolarHBondContact O-N 2.87Å; E240-A257 HydrophobicContact CG-CB 3.64Å; W241-A257 WeakPolarHBondContact O-CA 3.35Å; A257-I259 HydrophobicContact CB-CG1 4.22Å
258L98.3Very high94.7Very high1 Ų147.3 Ų47.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-91.3125.7163.1179.559.4000107.8R65 L66 V69 T206 I207 I208 E240 W241 L243R65-L258 HydrophobicContact CB-CD2 4.3Å; L66-L258 HydrophobicContact CD2-CD1 3.71Å; L66-L258 HydrophobicContact CD2-CD2 4.04Å; L66-L258 HydrophobicContact CD2-CG 4.48Å; V69-L258 HydrophobicContact CB-CD2 4.38Å; V69-L258 HydrophobicContact CG2-CD2 3.69Å; V69-L258 HydrophobicContact CG2-CG 4.5Å; T206-L258 HydrophobicContact CG2-CD1 3.48Å; T206-L258 VanDerWaalsContact CG2-CD1 3.48Å; I207-L258 CarbonylContact O-C 3.53Å; I207-L258 WeakPolarHBondContact O-CA 3.04Å; I208-L258 HydrophobicContact CG1-CD1 3.98Å; E240-L258 WeakPolarHBondContact CA-O 3.42Å; W241-L258 HydrophobicContact CE3-CB 4.48Å; W241-L258 HydrophobicContact CE3-CG 4.32Å; W241-L258 PolarHBondContact N-O 2.94Å; W241-L258 PolarHBondContact O-N 3.43Å; L243-L258 HydrophobicContact CD1-CB 4.26Å; L243-L258 HydrophobicContact CD2-CB 4.32Å; L243-L258 HydrophobicContact CG-CB 4.27Å
259I98.5Very high94.5Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-127.1129.1-174.4-58159.4000108.8I207 F212 C238 E239 E240 A257 F261I207-I259 HydrophobicContact CB-CB 4.18Å; I207-I259 PolarHBondContact N-O 3.01Å; I207-I259 PolarHBondContact O-N 3.4Å; F212-I259 HydrophobicContact CD1-CD1 3.83Å; F212-I259 HydrophobicContact CD2-CD1 4.08Å; F212-I259 HydrophobicContact CD2-CG2 4.06Å; F212-I259 HydrophobicContact CE1-CD1 3.93Å; F212-I259 HydrophobicContact CE2-CD1 4.16Å; F212-I259 HydrophobicContact CE2-CG2 3.9Å; F212-I259 HydrophobicContact CG-CD1 3.92Å; F212-I259 HydrophobicContact CZ-CD1 4.09Å; C238-I259 HydrophobicContact CB-CG2 3.69Å; E239-I259 CarbonylContact O-C 3.31Å; E239-I259 WeakPolarHBondContact O-CA 3.12Å; E240-I259 HydrophobicContact CB-CG1 4.34Å; E240-I259 HydrophobicContact CG-CG1 3.86Å; A257-I259 HydrophobicContact CB-CG1 4.22Å; I259-F261 HydrophobicContact CG2-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CZ 4.31Å
260T97.8Very high94.2Very high13 Ų1345.5 Ų45.58%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-137.6169.5176.968.60000111.4V69 T206 C238 E239 W241V69-T260 HydrophobicContact CG1-CG2 3.63Å; V69-T260 HydrophobicContact CG2-CG2 4.34Å; T206-T260 HydrophobicContact CG2-CG2 4.18Å; C238-T260 CarbonylContact C-O 3.54Å; C238-T260 VanDerWaalsContact CA-O 3.27Å; C238-T260 WeakPolarHBondContact CA-O 3.2Å; C238-T260 WeakPolarHBondContact CB-O 3.32Å; E239-T260 PolarHBondContact N-O 2.95Å; E239-T260 PolarHBondContact O-N 3.45Å; W241-T260 WeakPolarHBondContact CH2-OG1 3.37Å; W241-T260 HydrophobicContact CZ3-CG2 4.06Å; W241-T260 VanDerWaalsContact CZ3-OG1 3.31Å; W241-T260 WeakPolarHBondContact CZ3-OG1 3.24Å
261F96.9Very high93.9Very high6 Ų647.7 Ų47.73%0.02626%0.263CS..  trans-129.7104.6-177.9-61.5-89.4000111.2L193 L202 P203 L205 I207 F212 A234 V237 C238 I259 L266L193-F261 HydrophobicContact CD2-CE1 4.41Å; L193-F261 HydrophobicContact CD2-CE2 4.14Å; L193-F261 HydrophobicContact CD2-CZ 3.58Å; L202-F261 HydrophobicContact CB-CB 3.97Å; L202-F261 HydrophobicContact CB-CD1 4.39Å; L202-F261 HydrophobicContact CB-CD2 4.37Å; L202-F261 HydrophobicContact CB-CG 4Å; L202-F261 HydrophobicContact CD1-CD1 4.31Å; L202-F261 WeakPolarHBondContact O-CD2 3.28Å; P203-F261 VanDerWaalsContact CA-O 3.31Å; P203-F261 WeakPolarHBondContact CA-O 3.4Å; L205-F261 HydrophobicContact CB-CD2 4.32Å; L205-F261 HydrophobicContact CB-CE2 4.45Å; I207-F261 HydrophobicContact CD1-CE2 4.33Å; F212-F261 HydrophobicContact CE2-CZ 4.21Å; A234-F261 HydrophobicContact CB-CE1 3.98Å; A234-F261 HydrophobicContact CB-CZ 4.2Å; V237-F261 HydrophobicContact CG2-CD1 4.18Å; V237-F261 HydrophobicContact CG2-CE1 4.27Å; C238-F261 HydrophobicContact CB-CD1 3.95Å; C238-F261 HydrophobicContact CB-CE1 3.57Å; C238-F261 HydrophobicContact CB-CZ 4Å; I259-F261 HydrophobicContact CG2-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CZ 4.31Å; F261-L266 HydrophobicContact CB-CD2 4.23Å; F261-L266 HydrophobicContact CD1-CD2 4.25Å
262K94.3Very high93.8Very high83 Ų8347 Ų4736%0.36127%0.268SS..  trans-77.6137.4174.4-69.6-167.1-178.2142.10111.3E239 S264 S265 L266E239-K262 VanDerWaalsContact CD-CE 3.44Å; E239-K262 VanDerWaalsContact OE1-CD 3.23Å; E239-K262 WeakPolarHBondContact OE1-CD 3.48Å; E239-K262 WeakPolarHBondContact OE1-CE 3.38Å; E239-K262 IonicContact OE1-NZ 2.78Å; E239-K262 PolarHBondContact OE1-NZ 3.37Å; E239-K262 WeakPolarHBondContact OE2-CE 3.42Å; E239-K262 IonicContact OE2-NZ 2.68Å; E239-K262 PolarHBondContact OE2-NZ 3.36Å; K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å; K262-S265 WeakPolarHBondContact O-CB 3.19Å; K262-S265 PolarHBondContact O-N 2.81Å; K262-L266 PolarHBondContact O-N 2.72Å
263P93.1Very high93.4Very high86 Ų8647.6 Ų47.656%0.55827%0.274SS*.Hα-helixtrans-51.8-37.4175.1-28.434.6000113.7P203 S265 L266P203-P263 HydrophobicContact CB-CG 4.15Å; P203-P263 HydrophobicContact CG-CG 3.99Å; P263-S265 VanDerWaalsContact C-N 3.34Å; P263-S265 PolarHBondContact O-N 3.11Å; P263-L266 PolarHBondContact O-N 3.21Å
264S92.9Very high93.1Very high89 Ų8949.1 Ų49.162%0.62228%0.28SS*.Hα-helixtrans-65.3-32.7177.7550000113.6K262K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å
265S92.9Very high92.5Very high9 Ų947.9 Ų47.96%0.06328%0.283CS..Hα-helixtrans-74.8-29.4176.8-69.60000112.3V237 K262 P263 C267 K268V237-S265 WeakPolarHBondContact CG1-O 2.99Å; V237-S265 WeakPolarHBondContact O-CB 3.45Å; K262-S265 WeakPolarHBondContact O-CB 3.19Å; K262-S265 PolarHBondContact O-N 2.81Å; P263-S265 VanDerWaalsContact C-N 3.34Å; P263-S265 PolarHBondContact O-N 3.11Å; S265-C267 PolarHBondContact O-N 3.09Å; S265-K268 VanDerWaalsContact O-CB 3.3Å; S265-K268 WeakPolarHBondContact O-CB 3.47Å; S265-K268 WeakPolarHBondContact O-CD 3.43Å; S265-K268 VanDerWaalsContact O-CG 3.26Å; S265-K268 WeakPolarHBondContact O-CG 3.23Å; S265-K268 PolarHBondContact O-N 3.43Å; S265-K268 VanDerWaalsContact O-N 3.13Å
266L93.4Very high91.5Very high1 Ų155.4 Ų55.41%0.00532%0.317CS..Hα-helixtrans-65.9-25.5179.4-56.1-169.1000112.5R199 L202 P203 V237 F261 K262 P263 K268 L269 W274R199-L266 HydrophobicContact CB-CD1 4.38Å; R199-L266 HydrophobicContact CG-CD1 4.43Å; L202-L266 HydrophobicContact CB-CD1 4.12Å; L202-L266 HydrophobicContact CD1-CD1 4.45Å; L202-L266 HydrophobicContact CD1-CD2 4.08Å; P203-L266 HydrophobicContact CG-CD1 3.96Å; V237-L266 HydrophobicContact CB-CD2 3.94Å; V237-L266 HydrophobicContact CG2-CD2 3.94Å; F261-L266 HydrophobicContact CB-CD2 4.23Å; F261-L266 HydrophobicContact CD1-CD2 4.25Å; K262-L266 PolarHBondContact O-N 2.72Å; P263-L266 PolarHBondContact O-N 3.21Å; L266-K268 PolarHBondContact O-N 2.92Å; L266-K268 VanDerWaalsContact O-N 3.11Å; L266-L269 PolarHBondContact O-N 2.98Å; L266-W274 HydrophobicContact CB-CH2 4.01Å; L266-W274 HydrophobicContact CB-CZ2 3.86Å; L266-W274 HydrophobicContact CD1-CH2 4.2Å; L266-W274 HydrophobicContact CD2-CH2 4.02Å; L266-W274 HydrophobicContact CG-CH2 4.29Å; L266-W274 WeakPolarHBondContact O-CZ2 3.29Å
267C89.6Confident90.3Very high92 Ų9256.8 Ų56.862%0.62233%0.329SS*.THydrogen-bonded Turntrans-62.8-14.3174.5-64.80000113.9S265 L269S265-C267 PolarHBondContact O-N 3.09Å; C267-L269 VanDerWaalsContact C-N 3.28Å; C267-L269 PolarHBondContact O-N 2.65Å
268K90.4Very high89.8Confident141 Ų14161.8 Ų61.861%0.61336%0.361SS*.THydrogen-bonded Turntrans-70.8-23.1176.1-62171.1-174.81680112.8V237 S265 L266V237-K268 HydrophobicContact CG1-CB 4.32Å; S265-K268 VanDerWaalsContact O-CB 3.3Å; S265-K268 WeakPolarHBondContact O-CB 3.47Å; S265-K268 WeakPolarHBondContact O-CD 3.43Å; S265-K268 VanDerWaalsContact O-CG 3.26Å; S265-K268 WeakPolarHBondContact O-CG 3.23Å; S265-K268 PolarHBondContact O-N 3.43Å; S265-K268 VanDerWaalsContact O-N 3.13Å; L266-K268 PolarHBondContact O-N 2.92Å; L266-K268 VanDerWaalsContact O-N 3.11Å
269L89.2Confident89.6Confident19 Ų1966 Ų6610%0.09938%0.381CS..SBendtrans-87.9138.1177.9-70.6172.6000111.1W197 H233 V237 L266 C267 A273 W274W197-L269 HydrophobicContact CH2-CD1 4.45Å; W197-L269 HydrophobicContact CZ2-CD1 3.92Å; H233-L269 HydrophobicContact CB-CD1 4.44Å; V237-L269 HydrophobicContact CB-CD1 4.47Å; V237-L269 HydrophobicContact CG1-CD1 3.6Å; V237-L269 HydrophobicContact CG1-CD2 4.31Å; V237-L269 HydrophobicContact CG1-CG 3.49Å; V237-L269 VanDerWaalsContact CG1-CG 3.49Å; V237-L269 HydrophobicContact CG2-CD1 4.06Å; L266-L269 PolarHBondContact O-N 2.98Å; C267-L269 VanDerWaalsContact C-N 3.28Å; C267-L269 PolarHBondContact O-N 2.65Å; L269-A273 HydrophobicContact CB-CB 3.98Å; L269-W274 HydrophobicContact CB-CZ2 3.84Å; L269-W274 HydrophobicContact CD1-CH2 3.99Å; L269-W274 HydrophobicContact CD1-CZ2 3.73Å; L269-W274 HydrophobicContact CG-CZ2 4.35Å
270P90.2Very high89.3Confident78 Ų7867 Ų6751%0.50639%0.387SS..  trans-63.3158.1178.328.4-35.1000111.4S272 A273 W274P270-S272 PolarHBondContact O-N 3.37Å; P270-S272 VanDerWaalsContact O-N 3.13Å; P270-A273 HydrophobicContact CG-CB 4.23Å; P270-A273 VanDerWaalsContact O-CB 3.27Å; P270-A273 WeakPolarHBondContact O-CB 3.42Å; P270-A273 PolarHBondContact O-N 2.71Å; P270-W274 VanDerWaalsContact O-CD1 3.26Å
271Q87.7Confident88.9Confident132 Ų13272.7 Ų72.762%0.61741%0.413SS*.G310 helixtrans-57.1-32.5179.9-168.860.428.500112.7A273 W274Q271-A273 PolarHBondContact O-N 3.42Å; Q271-W274 PolarHBondContact O-N 3.49Å; Q271-W274 VanDerWaalsContact O-N 3.15Å
272S88.7Confident88.6Confident105 Ų10573.2 Ų73.273%0.73442%0.415SS*.G310 helixtrans-62.7-23.7176.2540000114P270 W274P270-S272 PolarHBondContact O-N 3.37Å; P270-S272 VanDerWaalsContact O-N 3.13Å; S272-W274 PolarHBondContact O-N 3.05Å
273A87Confident88.3Confident20 Ų2076.1 Ų76.117%0.16543%0.43CS..G310 helixtrans-72.6-13.2177.400000113.1W197 L269 P270 Q271W197-A273 PolarHBondContact NE1-O 3.18Å; L269-A273 HydrophobicContact CB-CB 3.98Å; P270-A273 HydrophobicContact CG-CB 4.23Å; P270-A273 VanDerWaalsContact O-CB 3.27Å; P270-A273 WeakPolarHBondContact O-CB 3.42Å; P270-A273 PolarHBondContact O-N 2.71Å; Q271-A273 PolarHBondContact O-N 3.42Å
274W89.3Confident88Confident32 Ų3276.9 Ų76.912%0.12143%0.426CS..G310 helixtrans-108.56.6-176-53.1102.5000113.5R199 L202 L266 L269 P270 Q271 S272R199-W274 HydrophobicContact CG-CD2 4.03Å; R199-W274 HydrophobicContact CG-CE3 4.23Å; R199-W274 HydrophobicContact CG-CH2 4.4Å; R199-W274 HydrophobicContact CG-CZ2 4.21Å; R199-W274 HydrophobicContact CG-CZ3 4.41Å; L202-W274 HydrophobicContact CD1-CH2 3.83Å; L202-W274 HydrophobicContact CD1-CZ3 3.7Å; L266-W274 HydrophobicContact CB-CH2 4.01Å; L266-W274 HydrophobicContact CB-CZ2 3.86Å; L266-W274 HydrophobicContact CD1-CH2 4.2Å; L266-W274 HydrophobicContact CD2-CH2 4.02Å; L266-W274 HydrophobicContact CG-CH2 4.29Å; L266-W274 WeakPolarHBondContact O-CZ2 3.29Å; L269-W274 HydrophobicContact CB-CZ2 3.84Å; L269-W274 HydrophobicContact CD1-CH2 3.99Å; L269-W274 HydrophobicContact CD1-CZ2 3.73Å; L269-W274 HydrophobicContact CG-CZ2 4.35Å; P270-W274 VanDerWaalsContact O-CD1 3.26Å; Q271-W274 PolarHBondContact O-N 3.49Å; Q271-W274 VanDerWaalsContact O-N 3.15Å; S272-W274 PolarHBondContact O-N 3.05Å
275G81.8Confident87.7Confident44 Ų4473.6 Ų73.645%0.45440%0.403SS..SBendtrans-67.9176.4175.500000112.5A277G275-A277 PolarHBondContact O-N 3.05Å
276E73.8Confident87.1Confident207 Ų20779 Ų7997%0.96744%0.437SS*.  trans-54.7111.1172.3-77.5-174.9179.300109.9
277A73.5Confident86.7Confident34 Ų3485.4 Ų85.428%0.28147%0.472SS..PPolyproline II helixtrans-103.3124.9-170.900000108.2W194 Y230 G275W194-A277 PolarHBondContact NE1-O 2.99Å; Y230-A277 HydrophobicContact CE1-CB 3.75Å; Y230-A277 WeakPolarHBondContact OH-CB 3.29Å; G275-A277 PolarHBondContact O-N 3.05Å
278P86.9Confident86.7Confident105 Ų10583.3 Ų83.368%0.68245%0.454SS*.PPolyproline II helixtrans-64.6146.7-17526.9-34.2000110.6W194 Y230W194-P278 PolarHBondContact NE1-O 3.24Å; Y230-P278 PolarHBondContact OH-O 3Å
279E93.1Very high86.8Confident89 Ų8981.9 Ų81.942%0.41645%0.449SS..PPolyproline II helixtrans-56.6131.1172.1-171.9168.815900110.3K170 W194 Q281K170-E279 VanDerWaalsContact CE-OE1 3.25Å; K170-E279 WeakPolarHBondContact CE-OE1 3.12Å; K170-E279 IonicContact NZ-OE1 3.97Å; K170-E279 PolarHBondContact NZ-OE1 3.28Å; W194-E279 HydrophobicContact CD2-CG 4.35Å; W194-E279 VanDerWaalsContact CE2-CA 3.44Å; W194-E279 HydrophobicContact CE3-CG 4.21Å; W194-E279 HydrophobicContact CH2-CB 3.78Å; W194-E279 HydrophobicContact CH2-CG 3.51Å; W194-E279 WeakPolarHBondContact CH2-OE2 3.3Å; W194-E279 HydrophobicContact CZ2-CB 3.43Å; W194-E279 VanDerWaalsContact CZ2-CB 3.43Å; W194-E279 HydrophobicContact CZ2-CG 3.7Å; W194-E279 HydrophobicContact CZ3-CB 4.47Å; W194-E279 HydrophobicContact CZ3-CG 3.8Å; E279-Q281 PolarHBondContact O-N 3.07Å
280P92.5Very high86.9Confident21 Ų2182.1 Ų82.114%0.13645%0.451CS..PPolyproline II helixtrans-54.4129.6177.7-26.432000112.5N190 W194 Y230 Y282N190-P280 WeakPolarHBondContact ND2-CB 3.37Å; N190-P280 VanDerWaalsContact ND2-CG 3.31Å; N190-P280 WeakPolarHBondContact ND2-CG 3.1Å; W194-P280 HydrophobicContact CB-CG 3.96Å; W194-P280 VanDerWaalsContact CG-CD 3.45Å; W194-P280 HydrophobicContact CG-CG 4.11Å; Y230-P280 HydrophobicContact CD2-CG 4.04Å; Y230-P280 HydrophobicContact CE2-CG 3.79Å; P280-Y282 HydrophobicContact CB-CE1 4.09Å; P280-Y282 HydrophobicContact CB-CE2 3.97Å; P280-Y282 WeakPolarHBondContact CB-OH 3.44Å
281Q88.8Confident86.9Confident133 Ų13383 Ų8362%0.62145%0.45SS*.  trans-115.5107.9173.7-60.8-173.19.800109.1E279 Q283E279-Q281 PolarHBondContact O-N 3.07Å; Q281-Q283 HydrophobicContact CB-CG 4.3Å; Q281-Q283 PolarHBondContact O-N 3.14Å
282Y92.6Very high86.9Confident17 Ų1782 Ų827%0.06745%0.445CS..  trans-83.735.3-174.4-56.5-71.7000113.8A187 N190 N191 D227 Y228 P280 H284 C285 L288A187-Y282 HydrophobicContact CB-CD1 4.44Å; A187-Y282 HydrophobicContact CB-CD2 4.24Å; A187-Y282 HydrophobicContact CB-CE1 3.95Å; A187-Y282 HydrophobicContact CB-CE2 3.74Å; A187-Y282 PolarHBondContact O-OH 3.47Å; N190-Y282 WeakPolarHBondContact CB-OH 3.45Å; N190-Y282 PolarHBondContact ND2-OH 3.25Å; N191-Y282 WeakPolarHBondContact OD1-CE2 3.5Å; N191-Y282 PolarHBondContact OD1-OH 3.19Å; D227-Y282 WeakPolarHBondContact O-CE1 3.42Å; Y228-Y282 AromaticContact CD1-CE1 3.8Å; Y228-Y282 HydrophobicContact CD1-CE1 3.8Å; Y228-Y282 AromaticContact CE1-CD1 3.89Å; Y228-Y282 HydrophobicContact CE1-CD1 3.89Å; Y228-Y282 AromaticContact CE1-CE1 3.47Å; Y228-Y282 HydrophobicContact CE1-CE1 3.47Å; Y228-Y282 VanDerWaalsContact CE1-CE1 3.47Å; P280-Y282 HydrophobicContact CB-CE1 4.09Å; P280-Y282 HydrophobicContact CB-CE2 3.97Å; P280-Y282 WeakPolarHBondContact CB-OH 3.44Å; Y282-H284 PolarHBondContact O-N 3.13Å; Y282-H284 VanDerWaalsContact O-N 3.07Å; Y282-C285 PolarHBondContact O-N 3.11Å; Y282-C285 VanDerWaalsContact O-N 3.15Å; Y282-L288 HydrophobicContact CD1-CD1 4.1Å; Y282-L288 HydrophobicContact CD2-CD1 4.04Å; Y282-L288 HydrophobicContact CD2-CD2 4.32Å; Y282-L288 HydrophobicContact CG-CD1 3.66Å; Y282-L288 HydrophobicContact CG-CD2 4.28Å
283Q88Confident86.9Confident144 Ų14482.5 Ų82.567%0.67343%0.431SS*.THydrogen-bonded Turntrans-62.4-20.9-172.8-62-179.915.900113.7Q281Q281-Q283 HydrophobicContact CB-CG 4.3Å; Q281-Q283 PolarHBondContact O-N 3.14Å
284H86Confident86.4Confident103 Ų10387.4 Ų87.448%0.47746%0.461SS..THydrogen-bonded Turntrans-105.512-177.2-51.7-62.3000113.7R226 D227 Y282 P286R226-H284 PolarHBondContact NE-CD2 2.87Å; D227-H284 IonicContact OD1-CD2 2.69Å; Y282-H284 PolarHBondContact O-N 3.13Å; Y282-H284 VanDerWaalsContact O-N 3.07Å; H284-P286 VanDerWaalsContact O-CD 3.23Å; H284-P286 WeakPolarHBondContact O-CD 3.27Å
285C87.2Confident85.6Confident20 Ų2092 Ų9214%0.13549%0.493CS..  trans-103.694179.5-70.80000110.1Y228 Y282 D287 L288Y228-C285 PolarHBondContact OH-SG 3.12Å; Y228-C285 VanDerWaalsContact OH-SG 3.35Å; Y282-C285 PolarHBondContact O-N 3.11Å; Y282-C285 VanDerWaalsContact O-N 3.15Å; C285-D287 VanDerWaalsContact C-N 3.26Å; C285-D287 PolarHBondContact O-N 3.15Å; C285-L288 HydrophobicContact CB-CB 4.13Å; C285-L288 HydrophobicContact CB-CD1 4.24Å
286P79.6Confident84Confident121 Ų12198.6 Ų98.679%0.78651%0.512SS*.THydrogen-bonded Turntrans-66.6-29.8179.627.5-34.7000112.7H284H284-P286 VanDerWaalsContact O-CD 3.23Å; H284-P286 WeakPolarHBondContact O-CD 3.27Å
287D84.9Confident82.5Confident137 Ų13797 Ų9773%0.73351%0.507SS*.THydrogen-bonded Turntrans-10753178.6-56.9-46.6000110C285 E289C285-D287 VanDerWaalsContact C-N 3.26Å; C285-D287 PolarHBondContact O-N 3.15Å; D287-E289 PolarHBondContact O-N 3.03Å
288L90.4Very high80.9Confident47 Ų47106.7 Ų106.725%0.24654%0.536CS..  trans-70.3110.3-179-178.761.3000111A187 Y282 C285 I290A187-L288 HydrophobicContact CB-CD1 3.78Å; Y282-L288 HydrophobicContact CD1-CD1 4.1Å; Y282-L288 HydrophobicContact CD2-CD1 4.04Å; Y282-L288 HydrophobicContact CD2-CD2 4.32Å; Y282-L288 HydrophobicContact CG-CD1 3.66Å; Y282-L288 HydrophobicContact CG-CD2 4.28Å; C285-L288 HydrophobicContact CB-CB 4.13Å; C285-L288 HydrophobicContact CB-CD1 4.24Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 HydrophobicContact CD1-CG2 3.74Å; L288-I290 HydrophobicContact CD2-CG2 3.9Å; L288-I290 HydrophobicContact CG-CG2 3.62Å; L288-I290 PolarHBondContact O-N 3.06Å; L288-I290 VanDerWaalsContact O-N 3.08Å
289E91.2Very high78.5Confident111 Ų111104.9 Ų104.952%0.51954%0.537SS..  trans-8652.4-177.1-64.8163.7152.900112.3G185 K186 D287G185-E289 WeakPolarHBondContact CA-O 3.35Å; K186-E289 IonicContact NZ-OE2 3.78Å; K186-E289 PolarHBondContact NZ-OE2 3.07Å; D287-E289 PolarHBondContact O-N 3.03Å
290I92.2Very high75.8Confident25 Ų25107.2 Ų107.213%0.12856%0.557CS.*  trans-147.7136.2171.8-173.8170.2000110.4E168 A187 L188 L288 Q292E168-I290 HydrophobicContact CB-CD1 3.99Å; A187-I290 HydrophobicContact CB-CB 4.02Å; A187-I290 HydrophobicContact CB-CD1 4.32Å; A187-I290 HydrophobicContact CB-CG2 3.56Å; L188-I290 HydrophobicContact CD2-CD1 3.6Å; L188-I290 HydrophobicContact CD2-CG1 4.25Å; L188-I290 HydrophobicContact CG-CD1 3.91Å; L188-I290 HydrophobicContact CG-CG1 4.33Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 HydrophobicContact CD1-CG2 3.74Å; L288-I290 HydrophobicContact CD2-CG2 3.9Å; L288-I290 HydrophobicContact CG-CG2 3.62Å; L288-I290 PolarHBondContact O-N 3.06Å; L288-I290 VanDerWaalsContact O-N 3.08Å; I290-Q292 HydrophobicContact CG2-CG 4.38Å
291I90Very high73.2Confident97 Ų97114.6 Ų114.650%0.49759%0.59SS.*PPolyproline II helixtrans-82.4121.9169.2-68.5166000107.2P145 N166P145-I291 HydrophobicContact CB-CB 4.45Å; P145-I291 HydrophobicContact CB-CD1 3.84Å; P145-I291 HydrophobicContact CB-CG2 4.36Å; P145-I291 HydrophobicContact CG-CB 4.13Å; P145-I291 HydrophobicContact CG-CD1 3.44Å; P145-I291 VanDerWaalsContact CG-CD1 3.44Å; P145-I291 HydrophobicContact CG-CG1 4.28Å; N166-I291 PolarHBondContact ND2-O 3.15Å
292Q88.1Confident70.7Confident109 Ų109115.6 Ų115.651%0.50960%0.599SS.*PPolyproline II helixtrans-93.3153.8179-64.1-175.5-54.100111.1E168 I290E168-Q292 WeakPolarHBondContact OE1-CA 3.46Å; E168-Q292 WeakPolarHBondContact OE1-CB 3.18Å; I290-Q292 HydrophobicContact CG2-CG 4.38Å
293R87.1Confident68Low117 Ų117123.3 Ų123.344%0.44264%0.636SS.*PPolyproline II helixtrans-61.4145.7167.5-73.1-172.1-68.6-137.39.2109.3N166 E168 T295N166-R293 HydrophobicContact CB-CG 3.82Å; N166-R293 VanDerWaalsContact O-CD 3.23Å; N166-R293 WeakPolarHBondContact O-CD 3.35Å; N166-R293 WeakPolarHBondContact O-CG 3.29Å; N166-R293 PolarHBondContact O-NH1 3.33Å; E168-R293 HydrophobicContact CG-CG 4.46Å; E168-R293 PolarHBondContact OE1-N 3.21Å; R293-T295 PolarHBondContact O-N 3.4Å
294P78.4Confident65.5Low123 Ų123119.2 Ų119.280%0.79963%0.632SS**PPolyproline II helixtrans-56126.3169-19.430.8000109E296P294-E296 PolarHBondContact O-N 3.13Å; P294-E296 VanDerWaalsContact O-N 3.16Å
295T70.8Confident63Low129 Ų129121.4 Ų121.479%0.79165%0.646SS**PPolyproline II helixtrans-64.2117.1168.1-44.90000106.8R293 M297R293-T295 PolarHBondContact O-N 3.4Å; T295-M297 PolarHBondContact O-N 3.47Å
296E49.7Very low60.4Low181 Ų181126.1 Ų126.185%0.84667%0.674SS**  trans-57.3110.3165.2-74-176.3170.400106.8P294 R298P294-E296 PolarHBondContact O-N 3.13Å; P294-E296 VanDerWaalsContact O-N 3.16Å; E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 3.33Å
297M40.8Very low58.1Low175 Ų175125.9 Ų125.986%0.86267%0.67SS**  trans-59.4105.6167.1-70-119.4-71.900105.6T295 G299T295-M297 PolarHBondContact O-N 3.47Å; M297-G299 PolarHBondContact O-N 3.37Å
298R40.4Very low55.6Low236 Ų236124.8 Ų124.889%0.89167%0.668SS**  trans-48.8119.5164.2-78.3-175.4-173.1-150.30.8105.8E296 V300E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 3.33Å; R298-V300 PolarHBondContact O-N 3.44Å
299G36.2Very low52.7Low68 Ų68127.2 Ų127.270%0.70169%0.689SS**  trans-45.5117.9-177.300000109.4M297 E301M297-G299 PolarHBondContact O-N 3.37Å; G299-E301 VanDerWaalsContact C-N 3.3Å; G299-E301 PolarHBondContact O-N 3.07Å; G299-E301 VanDerWaalsContact O-N 3.1Å
300V37.1Very low49.9Very low137 Ų137128 Ų12883%0.8370%0.701SS**  trans-64.2107.9153.4179.30000103R298 D302R298-V300 PolarHBondContact O-N 3.44Å; V300-D302 PolarHBondContact O-N 3.5Å; V300-D302 VanDerWaalsContact O-N 3.13Å
301E37.9Very low47.3Very low177 Ų177132.9 Ų132.983%0.82773%0.732SS**  trans-49.8121.6169.6-69.1176.5154.400107.1G299 E303G299-E301 VanDerWaalsContact C-N 3.3Å; G299-E301 PolarHBondContact O-N 3.07Å; G299-E301 VanDerWaalsContact O-N 3.1Å; E301-E303 PolarHBondContact O-N 2.9Å
302D36.8Very low44.6Very low153 Ų153133.9 Ų133.982%0.81874%0.744SS**  trans-63.385.4174.9-169.227.6000107.2V300 G304V300-D302 PolarHBondContact O-N 3.5Å; V300-D302 VanDerWaalsContact O-N 3.13Å; D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 3.28Å
303E35.9Very low42.2Very low180 Ų180134.1 Ų134.184%0.84176%0.758SS**  trans-63.6101.3164-79.7-145155.400107E301 I305E301-E303 PolarHBondContact O-N 2.9Å; E303-I305 PolarHBondContact O-N 3.3Å
304G34.5Very low39.8Very low57 Ų57137.1 Ų137.159%0.58878%0.777SS**  trans-45.7111.7-176.400000112.7D302 T306D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 3.28Å; G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.17Å
305I34.6Very low37.7Very low150 Ų150139.2 Ų139.277%0.76978%0.778SS**  trans-69.394.7160.9-63.3172.6000106.5E303 V307E303-I305 PolarHBondContact O-N 3.3Å; I305-V307 HydrophobicContact CG2-CG2 4.05Å; I305-V307 PolarHBondContact O-N 3.04Å
306T31.1Very low36Very low119 Ų119144.9 Ų144.973%0.7379%0.785SS**  trans-68.899.2166.3-55.70000107.5G304 V308G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.17Å; T306-V308 HydrophobicContact CG2-CG2 4.1Å; T306-V308 PolarHBondContact O-N 3.2Å; T306-V308 VanDerWaalsContact O-N 3.07Å
307V32Very low35.5Very low115 Ų115143.7 Ų143.770%0.69782%0.821SS**  trans-72.598.5169.7-176.70000107.7I305 S309I305-V307 HydrophobicContact CG2-CG2 4.05Å; I305-V307 PolarHBondContact O-N 3.04Å; V307-S309 PolarHBondContact O-N 3.41Å
308V31.5Very low35.2Very low114 Ų114142.2 Ų142.269%0.69182%0.819SS**  trans-77.5101.6169.1-177.90000108T306 V310T306-V308 HydrophobicContact CG2-CG2 4.1Å; T306-V308 PolarHBondContact O-N 3.2Å; T306-V308 VanDerWaalsContact O-N 3.07Å; V308-V310 PolarHBondContact O-N 3.44Å; V308-V310 VanDerWaalsContact O-N 3.15Å
309S31.1Very low34.9Very low99 Ų99137.2 Ų137.269%0.69282%0.816SS**  trans-70.5101.3173.1-42.30000109.9V307 V311V307-S309 PolarHBondContact O-N 3.41Å; S309-V311 PolarHBondContact O-N 3.22Å
310V32.6Very low34.8Very low128 Ų128141.1 Ų141.178%0.77682%0.822SS**  trans-79.7109.3168-178.50000108V308V308-V310 PolarHBondContact O-N 3.44Å; V308-V310 VanDerWaalsContact O-N 3.15Å
311V35.7Very low34.7Very low127 Ų127141.3 Ų141.377%0.7782%0.822SS**PPolyproline II helixtrans-79.3123.9175-169.20000108.6S309 S313S309-V311 PolarHBondContact O-N 3.22Å; V311-S313 PolarHBondContact O-N 3.46Å
312P33.6Very low34.5Very low117 Ų117139.1 Ų139.176%0.7682%0.821SS**PPolyproline II helixtrans-74.3127.7174.1-9.325.4000110.2
313S38.9Very low34.3Very low114 Ų114138.1 Ų138.180%0.79782%0.821SS**PPolyproline II helixtrans-73.6118.7166.657.80000109.6V311V311-S313 PolarHBondContact O-N 3.46Å
314E35.3Very low34.2Very low181 Ų181135.1 Ų135.185%0.84682%0.82SS**  trans-159.6119.2149.7-114.7172.9-166.400113.5
315M36.1Very low34.2Very low166 Ų166141.2 Ų141.282%0.81884%0.838SS**  trans32.6118.5142.6-63.6-159-165.600121.3
316R34.8Very low34.2Very low249 Ų249140.4 Ų140.494%0.9484%0.844SS**  174.4130.3111.7-88.5159.7-153.3-108.74.3105.3
317G37.7Very low34.5Very low156 Ų156142.4 Ų142.4100%1.60885%0.854SS**  113.9067.300000106.2

Retrieved 317 of 317 residues in 1876.1 ms (Link to these results)