A0A5K4F212_SCHMA Loading...

Negative elongation factor E

AlphaFold DB , UniProt , Accession A0A5K4F212, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M56.5Low58.9Low238 Ų238149.5 Ų149.5100%1.17284%0.843SS**  0106.20-72.3-178.1-177.100106
2T49.9Very low59.5Low134 Ų134153.3 Ų153.382%0.82284%0.843SS**  trans-72.4119.3179.129.20000108.4
3I60.9Low60.2Low151 Ų151154.5 Ų154.577%0.77485%0.848SS**  trans-90.9109.1172.7-64.4167.6000104.8
4E64.7Low61Low177 Ų177151.7 Ų151.783%0.82783%0.83SS**PPolyproline II helixtrans-90.4117169.9-62.9-165.617300107.4
5D61.3Low62.3Low140 Ų140148.3 Ų148.375%0.74981%0.81SS**PPolyproline II helixtrans-74.9133.1174.8-75.1-44.9000109.7
6P69.7Low63.5Low119 Ų119144.9 Ų144.977%0.77380%0.795SS**PPolyproline II helixtrans-79.6134.2178.831.3-31.3000111.2
7D56.5Low64.5Low154 Ų154143.6 Ų143.682%0.82479%0.787SS**PPolyproline II helixtrans-50128.6178.4-65.2-54.9000113.9E9D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.27Å; D7-E9 VanDerWaalsContact O-N 3.11Å
8L56Low65.5Low179 Ų179143.7 Ų143.794%0.93778%0.781SS**  trans-77.584.3165-80.7155.8000108.9A10L8-A10 PolarHBondContact O-N 3.23Å
9E61.6Low66.3Low186 Ų186140.6 Ų140.687%0.86976%0.763SS**  trans-62.1120.9168.3-93.9-91.4148.700110.2D7D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.27Å; D7-E9 VanDerWaalsContact O-N 3.11Å
10A53.3Low67Low92 Ų92138.9 Ų138.976%0.7675%0.753SS**  trans-74.2147.1-173.800000113L8L8-A10 PolarHBondContact O-N 3.23Å
11G57.5Low67.7Low74 Ų74135.1 Ų135.176%0.76374%0.741SS**  trans81.442138.200000118.4N13G11-N13 PolarHBondContact O-N 3.36Å
12K66.5Low68.9Low195 Ų195128 Ų12885%0.84871%0.714SS**  trans-74.1114.1154-75.5179.3-179.6174.60108.1I14K12-I14 VanDerWaalsContact C-N 3.32Å; K12-I14 PolarHBondContact O-N 3.35Å
13N68.6Low70.5Confident169 Ų169128.7 Ų128.790%0.90471%0.706SS**  trans-59.799.4164.5-85.7-66.8000107.2G11 D15G11-N13 PolarHBondContact O-N 3.36Å; N13-D15 PolarHBondContact O-N 3.16Å
14I70.4Confident71.5Confident116 Ų116125.9 Ų125.960%0.59570%0.696SS**  trans-75.1117.6174.3-66.2153.1000105.7K12 V16 L19K12-I14 VanDerWaalsContact C-N 3.32Å; K12-I14 PolarHBondContact O-N 3.35Å; I14-V16 PolarHBondContact O-N 3.05Å; I14-V16 VanDerWaalsContact O-N 3.09Å; I14-L19 HydrophobicContact CG2-CB 4.11Å; I14-L19 HydrophobicContact CG2-CD1 4.02Å; I14-L19 HydrophobicContact CG2-CD2 4.49Å; I14-L19 HydrophobicContact CG2-CG 4.42Å
15D80.4Confident72.4Confident101 Ų101124 Ų12454%0.5469%0.69SS.*  trans-64.3111.6175-160.1-10.7000108.1N13 D17 E18 L19N13-D15 PolarHBondContact O-N 3.16Å; D15-D17 PolarHBondContact O-N 3.23Å; D15-E18 HydrophobicContact CB-CB 4.16Å; D15-E18 PolarHBondContact O-N 3.21Å; D15-E18 VanDerWaalsContact O-N 3.14Å; D15-L19 PolarHBondContact O-N 3.48Å
16V81.8Confident73.1Confident94 Ų94124.7 Ų124.757%0.5769%0.694SS**Hα-helixtrans-64.7-29.6-169.8-166.90000110.1I14 L19 L20I14-V16 PolarHBondContact O-N 3.05Å; I14-V16 VanDerWaalsContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.19Å; V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 PolarHBondContact O-N 3.13Å
17D81.4Confident73.6Confident122 Ų122125.6 Ų125.665%0.65269%0.692SS**Hα-helixtrans-71.8-35.8177.8-71-25.2000112D15 A21D15-D17 PolarHBondContact O-N 3.23Å; D17-A21 VanDerWaalsContact O-CB 3.27Å; D17-A21 WeakPolarHBondContact O-CB 3.43Å; D17-A21 PolarHBondContact O-N 3.09Å
18E81.2Confident74.9Confident146 Ų146123.2 Ų123.268%0.68269%0.685SS**Hα-helixtrans-70.7-37.9173.6-169.2175.6-17000111.2D15 A21 S22D15-E18 HydrophobicContact CB-CB 4.16Å; D15-E18 PolarHBondContact O-N 3.21Å; D15-E18 VanDerWaalsContact O-N 3.14Å; E18-A21 PolarHBondContact O-N 3.48Å; E18-S22 PolarHBondContact O-N 2.89Å; E18-S22 VanDerWaalsContact O-N 3.08Å
19L80.5Confident76.2Confident84 Ų84122.4 Ų122.444%0.4468%0.681SS.*Hα-helixtrans-64.2-45.8173.8-162.883000111.1I14 D15 V16 S22 F23I14-L19 HydrophobicContact CG2-CB 4.11Å; I14-L19 HydrophobicContact CG2-CD1 4.02Å; I14-L19 HydrophobicContact CG2-CD2 4.49Å; I14-L19 HydrophobicContact CG2-CG 4.42Å; D15-L19 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.19Å; L19-S22 PolarHBondContact O-N 2.79Å; L19-S22 PolarHBondContact O-OG 2.8Å; L19-F23 HydrophobicContact CD2-CE2 4.13Å; L19-F23 HydrophobicContact CG-CD2 4.45Å; L19-F23 HydrophobicContact CG-CE2 3.85Å; L19-F23 WeakPolarHBondContact O-CD2 3.11Å; L19-F23 PolarHBondContact O-N 2.9Å
20L81.7Confident77.3Confident106 Ų106121 Ų12156%0.55568%0.675SS**Hα-helixtrans-62.8-40.9175.4-89.3153000112V16 S22 F23 T24V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 PolarHBondContact O-N 3.13Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å; L20-F23 PolarHBondContact O-N 3.27Å; L20-T24 PolarHBondContact O-N 3.08Å; L20-T24 PolarHBondContact O-OG1 3.45Å
21A81.9Confident78.8Confident60 Ų60119.4 Ų119.450%0.49665%0.651SS.*Hα-helixtrans-60.2-36.6176.300000111.8D17 E18 F23 T24D17-A21 VanDerWaalsContact O-CB 3.27Å; D17-A21 WeakPolarHBondContact O-CB 3.43Å; D17-A21 PolarHBondContact O-N 3.09Å; E18-A21 PolarHBondContact O-N 3.48Å; A21-F23 VanDerWaalsContact C-N 3.26Å; A21-F23 PolarHBondContact O-N 3.1Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.28Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 WeakPolarHBondContact O-CB 3.18Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 3.04Å
22S80.7Confident80.3Confident89 Ų89119.8 Ų119.862%0.62264%0.639SS**Hα-helixtrans-68.1-22.6176.1810000114.1E18 L19 L20E18-S22 PolarHBondContact O-N 2.89Å; E18-S22 VanDerWaalsContact O-N 3.08Å; L19-S22 PolarHBondContact O-N 2.79Å; L19-S22 PolarHBondContact O-OG 2.8Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å
23F84.3Confident81.4Confident148 Ų148116.2 Ų116.265%0.64963%0.629SS**Hα-helixtrans-89.5-8.8175-69.7-66.3000113.4L19 L20 A21 I25L19-F23 HydrophobicContact CD2-CE2 4.13Å; L19-F23 HydrophobicContact CG-CD2 4.45Å; L19-F23 HydrophobicContact CG-CE2 3.85Å; L19-F23 WeakPolarHBondContact O-CD2 3.11Å; L19-F23 PolarHBondContact O-N 2.9Å; L20-F23 PolarHBondContact O-N 3.27Å; A21-F23 VanDerWaalsContact C-N 3.26Å; A21-F23 PolarHBondContact O-N 3.1Å; F23-I25 PolarHBondContact O-N 3.08Å
24T81.7Confident82.6Confident92 Ų92112 Ų11256%0.56461%0.611SS**  trans-70.6105.4174.1-11.70000108.9L20 A21 D26L20-T24 PolarHBondContact O-N 3.08Å; L20-T24 PolarHBondContact O-OG1 3.45Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.28Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 WeakPolarHBondContact O-CB 3.18Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 3.04Å; T24-D26 PolarHBondContact O-N 3.1Å
25I82.6Confident83.6Confident138 Ų138110.7 Ų110.771%0.70860%0.603SS**  trans-76.3112.6173.7-59.7169.2000106.8F23 L27F23-I25 PolarHBondContact O-N 3.08Å; I25-L27 PolarHBondContact O-N 3.2Å
26D77.1Confident84.1Confident154 Ų154110.2 Ų110.282%0.82460%0.596SS**  trans-6898.2172.1-75.1-29.8000109.4T24T24-D26 PolarHBondContact O-N 3.1Å
27L80.8Confident84.7Confident139 Ų139109.1 Ų109.173%0.72859%0.592SS**  trans-78.9130.3171.5-75.7114.1000109.3I25 D29I25-L27 PolarHBondContact O-N 3.2Å; L27-D29 PolarHBondContact O-N 3.13Å
28P83.9Confident85.4Confident104 Ų104108.8 Ų108.868%0.67559%0.59SS**  trans-64.8128.1176.124.8-31.5000110.7E30P28-E30 PolarHBondContact O-N 3.29Å
29D81.4Confident85.9Confident162 Ų162108.6 Ų108.687%0.86658%0.583SS**SBendtrans-67.7-25.6176.3-79.9-28.6000112.5L27L27-D29 PolarHBondContact O-N 3.13Å
30E85.7Confident86.6Confident156 Ų156112 Ų11273%0.72959%0.594SS**SBendtrans-96.8125.9-179.9-68.5-164.7-17600112.6P28 T32P28-E30 PolarHBondContact O-N 3.29Å; E30-T32 PolarHBondContact O-N 3.45Å
31H84.1Confident87.3Confident58 Ų58113 Ų11327%0.26960%0.596SS.*PPolyproline II helixtrans-64.7131172.4-68.3-54.8000111.6E35 K36 R39H31-E35 WeakPolarHBondContact CA-OE2 3.26Å; H31-E35 HydrophobicContact CB-CB 4.06Å; H31-E35 IonicContact CE1-OE2 3.98Å; H31-E35 IonicContact CG-OE2 3.59Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 2.92Å; H31-K36 HydrophobicContact CB-CG 3.75Å; H31-K36 WeakPolarHBondContact O-CE 3.42Å; H31-K36 PolarHBondContact O-NZ 2.76Å; H31-R39 PolarHBondContact CD2-NH1 2.78Å; H31-R39 VanDerWaalsContact CE1-CZ 3.42Å; H31-R39 PolarHBondContact CE1-NH2 3.04Å; H31-R39 PolarHBondContact NE2-NH1 2.9Å; H31-R39 PolarHBondContact NE2-NH2 3.43Å
32T88.9Confident88Confident83 Ų83114.8 Ų114.851%0.50960%0.597SS.*PPolyproline II helixtrans-60.3149.2170.3-29.90000109.2E30 P34 E35 K36E30-T32 PolarHBondContact O-N 3.45Å; T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.33Å; T32-P34 HydrophobicContact CG2-CG 3.97Å; T32-E35 WeakPolarHBondContact O-CA 3.45Å; T32-E35 VanDerWaalsContact O-CB 3.32Å; T32-E35 WeakPolarHBondContact O-CB 3.34Å; T32-E35 PolarHBondContact O-N 3.07Å; T32-K36 PolarHBondContact O-N 3.37Å
33D91.3Very high88.8Confident120 Ų120116 Ų11664%0.64260%0.595SS**Hα-helixtrans-48-41.9177.1-69.4-23.6000115.5E35 K36 S37D33-E35 VanDerWaalsContact C-N 3.33Å; D33-E35 PolarHBondContact O-N 3Å; D33-K36 PolarHBondContact O-N 3.45Å; D33-K36 IonicContact OD1-NZ 3.97Å; D33-S37 PolarHBondContact O-N 2.76Å
34P92.6Very high89.4Confident79 Ų79111.6 Ų111.651%0.51358%0.583SS.*Hα-helixtrans-59.4-41.717222.7-34.8000112.3T32 K36 S37 L38T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.33Å; T32-P34 HydrophobicContact CG2-CG 3.97Å; P34-K36 PolarHBondContact O-N 3.3Å; P34-S37 WeakPolarHBondContact O-CB 3.37Å; P34-S37 PolarHBondContact O-N 2.85Å; P34-L38 WeakPolarHBondContact O-CD1 3.44Å; P34-L38 PolarHBondContact O-N 3.13Å
35E91.8Very high90.1Very high90 Ų90112.2 Ų112.242%0.42158%0.582SS.*Hα-helixtrans-65.5-39.9178.1-58.4-172.5157.500112.2H31 T32 D33 S37 L38 R39H31-E35 WeakPolarHBondContact CA-OE2 3.26Å; H31-E35 HydrophobicContact CB-CB 4.06Å; H31-E35 IonicContact CE1-OE2 3.98Å; H31-E35 IonicContact CG-OE2 3.59Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 2.92Å; T32-E35 WeakPolarHBondContact O-CA 3.45Å; T32-E35 VanDerWaalsContact O-CB 3.32Å; T32-E35 WeakPolarHBondContact O-CB 3.34Å; T32-E35 PolarHBondContact O-N 3.07Å; D33-E35 VanDerWaalsContact C-N 3.33Å; D33-E35 PolarHBondContact O-N 3Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.46Å; E35-L38 PolarHBondContact O-N 2.8Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.96Å
36K91.8Very high90.8Very high91 Ų91111 Ų11140%0.39657%0.572SS.*Hα-helixtrans-60.5-41.3173.6-70.2174177.7153.20111H31 T32 D33 P34 R39 K40H31-K36 HydrophobicContact CB-CG 3.75Å; H31-K36 WeakPolarHBondContact O-CE 3.42Å; H31-K36 PolarHBondContact O-NZ 2.76Å; T32-K36 PolarHBondContact O-N 3.37Å; D33-K36 PolarHBondContact O-N 3.45Å; D33-K36 IonicContact OD1-NZ 3.97Å; P34-K36 PolarHBondContact O-N 3.3Å; K36-R39 PolarHBondContact O-N 3.45Å; K36-K40 WeakPolarHBondContact O-CG 3.44Å; K36-K40 PolarHBondContact O-N 2.78Å
37S94.1Very high91.7Very high71 Ų71110 Ų11050%0.49756%0.562SS.*Hα-helixtrans-63.5-48.5175-166.30000111.7D33 P34 E35 R39 K40 E41D33-S37 PolarHBondContact O-N 2.76Å; P34-S37 WeakPolarHBondContact O-CB 3.37Å; P34-S37 PolarHBondContact O-N 2.85Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.46Å; S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact O-N 2.92Å; S37-K40 WeakPolarHBondContact O-CB 3.19Å; S37-K40 PolarHBondContact O-N 3.42Å; S37-E41 PolarHBondContact O-N 3.49Å
38L95.7Very high92.4Very high115 Ų115108.1 Ų108.160%0.60255%0.551SS**Hα-helixtrans-58-39.8176.7-93.582.6000112P34 E35 K40 E41 L42P34-L38 WeakPolarHBondContact O-CD1 3.44Å; P34-L38 PolarHBondContact O-N 3.13Å; E35-L38 PolarHBondContact O-N 2.8Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3Å; L38-E41 PolarHBondContact O-N 2.76Å; L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 PolarHBondContact O-N 2.95Å
39R92.1Very high93Very high141 Ų141111.9 Ų111.953%0.53255%0.552SS.*Hα-helixtrans-63.2-39.5176.2-77.6-175.6170.8-163.50.9112.4H31 E35 K36 S37 L42 L43H31-R39 PolarHBondContact CD2-NH1 2.78Å; H31-R39 VanDerWaalsContact CE1-CZ 3.42Å; H31-R39 PolarHBondContact CE1-NH2 3.04Å; H31-R39 PolarHBondContact NE2-NH1 2.9Å; H31-R39 PolarHBondContact NE2-NH2 3.43Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.96Å; K36-R39 PolarHBondContact O-N 3.45Å; S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact O-N 2.92Å; R39-L42 PolarHBondContact O-N 2.76Å; R39-L43 WeakPolarHBondContact O-CG 3.46Å; R39-L43 PolarHBondContact O-N 3.12Å
40K94.9Very high93.6Very high157 Ų157112.6 Ų112.668%0.68354%0.542SS*.Hα-helixtrans-64.7-45175.2-70.1176-179.5179.30111.4K36 S37 L38 L42 L43 S44K36-K40 WeakPolarHBondContact O-CG 3.44Å; K36-K40 PolarHBondContact O-N 2.78Å; S37-K40 WeakPolarHBondContact O-CB 3.19Å; S37-K40 PolarHBondContact O-N 3.42Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3Å; K40-L42 PolarHBondContact O-N 3.41Å; K40-L43 PolarHBondContact O-N 2.88Å; K40-S44 PolarHBondContact O-N 3.19Å
41E96.4Very high93.9Very high127 Ų127108.4 Ų108.459%0.59353%0.527SS*.Hα-helixtrans-62.5-42.8176.8-169.9178.8172.700111.5S37 L38 L43 S44 L45S37-E41 PolarHBondContact O-N 3.49Å; L38-E41 PolarHBondContact O-N 2.76Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.14Å; E41-S44 WeakPolarHBondContact O-CB 3.37Å; E41-S44 PolarHBondContact O-N 2.97Å; E41-S44 VanDerWaalsContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.64Å
42L96.9Very high94.4Very high97 Ų97111.1 Ų111.151%0.50854%0.543SS..Hα-helixtrans-62.1-37.4176.8-171.1120.1000112.4L38 R39 K40 K46L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 PolarHBondContact O-N 2.95Å; R39-L42 PolarHBondContact O-N 2.76Å; K40-L42 PolarHBondContact O-N 3.41Å; L42-K46 HydrophobicContact CD2-CD 4.16Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CG 3.29Å; L42-K46 PolarHBondContact O-N 3.36Å
43L96.1Very high94.6Very high113 Ų113110 Ų11059%0.59254%0.537SS*.Hα-helixtrans-65.8-44.1173.3-73.5171.4000111.7R39 K40 E41 L45 K46 Q47R39-L43 WeakPolarHBondContact O-CG 3.46Å; R39-L43 PolarHBondContact O-N 3.12Å; K40-L43 PolarHBondContact O-N 2.88Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.14Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.04Å; L43-K46 PolarHBondContact O-N 3.47Å; L43-Q47 PolarHBondContact O-N 2.89Å
44S96.7Very high94.5Very high56 Ų56109.4 Ų109.439%0.39253%0.533SS..Hα-helixtrans-59.6-44.6174.6-178.60000111.6K40 E41 K46 Q47 M48K40-S44 PolarHBondContact O-N 3.19Å; E41-S44 WeakPolarHBondContact O-CB 3.37Å; E41-S44 PolarHBondContact O-N 2.97Å; E41-S44 VanDerWaalsContact O-N 3.16Å; S44-K46 PolarHBondContact O-N 3.09Å; S44-Q47 WeakPolarHBondContact O-CB 3.42Å; S44-Q47 PolarHBondContact O-N 3.42Å; S44-Q47 VanDerWaalsContact O-N 3.11Å; S44-M48 PolarHBondContact O-N 3.48Å
45L96.9Very high94.5Very high105 Ų105110.4 Ų110.455%0.5553%0.533SS..Hα-helixtrans-66.9-36.5179.2-160.4130.5000112.2E41 L43 Q47 M48 R49E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.64Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.04Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; L45-M48 PolarHBondContact O-N 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.38Å; L45-R49 PolarHBondContact O-N 3Å
46K96.9Very high94.4Very high114 Ų114111.1 Ų111.150%0.49654%0.54SS..Hα-helixtrans-63.2-39.3170.5-79.4177.3175.6178.20112L42 L43 S44 R50L42-K46 HydrophobicContact CD2-CD 4.16Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CG 3.29Å; L42-K46 PolarHBondContact O-N 3.36Å; L43-K46 PolarHBondContact O-N 3.47Å; S44-K46 PolarHBondContact O-N 3.09Å; K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 2.97Å
47Q96.3Very high94.1Very high132 Ų132112.8 Ų112.862%0.61755%0.549SS*.Hα-helixtrans-65.4-47.6175.5-174.8178.1-2.500111.3L43 S44 L45 R49 R50 T51L43-Q47 PolarHBondContact O-N 2.89Å; S44-Q47 WeakPolarHBondContact O-CB 3.42Å; S44-Q47 PolarHBondContact O-N 3.42Å; S44-Q47 VanDerWaalsContact O-N 3.11Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; Q47-R49 PolarHBondContact O-N 3.45Å; Q47-R50 WeakPolarHBondContact O-CB 3.19Å; Q47-R50 PolarHBondContact O-N 3.37Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; Q47-T51 PolarHBondContact O-N 3.08Å; Q47-T51 VanDerWaalsContact O-N 3.11Å
48M96Very high93.7Very high99 Ų99114 Ų11449%0.48855%0.547SS..Hα-helixtrans-60.5-41.9176.2-73-171.3-73.600112.1S44 L45 R50 T51 L52S44-M48 PolarHBondContact O-N 3.48Å; L45-M48 PolarHBondContact O-N 3.29Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.01Å; M48-T51 WeakPolarHBondContact CA-OG1 3.19Å; M48-T51 PolarHBondContact O-N 3.41Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.35Å; M48-L52 PolarHBondContact O-N 3.01Å
49R95.8Very high93Very high184 Ų184112 Ų11269%0.69454%0.539SS*.Hα-helixtrans-57.1-42.2175179.5178.6162.2-175.3-4.7112L45 Q47 L52 T53L45-R49 WeakPolarHBondContact O-CB 3.38Å; L45-R49 PolarHBondContact O-N 3Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; Q47-R49 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 2.86Å; R49-T53 WeakPolarHBondContact O-CG2 3.29Å; R49-T53 PolarHBondContact O-N 2.85Å; R49-T53 PolarHBondContact O-OG1 3.34Å
50R93.9Very high92.4Very high177 Ų177110.4 Ų110.467%0.66854%0.536SS*.Hα-helixtrans-62-45.7175.5-70.2174.3-177.8173.6-0.3111.5K46 Q47 M48 L52 T53 D54K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 2.97Å; Q47-R50 WeakPolarHBondContact O-CB 3.19Å; Q47-R50 PolarHBondContact O-N 3.37Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.01Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 2.86Å; R50-T53 WeakPolarHBondContact CA-OG1 3.24Å; R50-T53 PolarHBondContact O-N 2.98Å; R50-T53 PolarHBondContact O-OG1 3.27Å; R50-D54 VanDerWaalsContact O-CG 3.31Å; R50-D54 PolarHBondContact O-N 3.21Å
51T93.1Very high91.5Very high68 Ų68108.3 Ų108.342%0.41753%0.527SS..Hα-helixtrans-63.1-38.5178.560.30000112.9Q47 M48 D54 I55Q47-T51 PolarHBondContact O-N 3.08Å; Q47-T51 VanDerWaalsContact O-N 3.11Å; M48-T51 WeakPolarHBondContact CA-OG1 3.19Å; M48-T51 PolarHBondContact O-N 3.41Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.35Å; T51-D54 PolarHBondContact O-N 2.83Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.77Å; T51-I55 VanDerWaalsContact O-N 3.07Å
52L94.7Very high89.8Confident115 Ų115105 Ų10560%0.60252%0.517SS*.Hα-helixtrans-68.1-37.8176.9-72.1175.5000112M48 R49 R50 D54 I55 D56M48-L52 PolarHBondContact O-N 3.01Å; R49-L52 PolarHBondContact O-N 2.86Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 2.86Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-I55 PolarHBondContact O-N 2.86Å; L52-D56 WeakPolarHBondContact O-CB 3.43Å; L52-D56 PolarHBondContact O-N 2.97Å
53T92.8Very high88Confident60 Ų60105.4 Ų105.437%0.36852%0.516SS..Hα-helixtrans-65.3-37.6174.547.70000112R49 R50 D56 H57R49-T53 WeakPolarHBondContact O-CG2 3.29Å; R49-T53 PolarHBondContact O-N 2.85Å; R49-T53 PolarHBondContact O-OG1 3.34Å; R50-T53 WeakPolarHBondContact CA-OG1 3.24Å; R50-T53 PolarHBondContact O-N 2.98Å; R50-T53 PolarHBondContact O-OG1 3.27Å; T53-D56 PolarHBondContact O-N 3.16Å; T53-H57 PolarHBondContact O-CD2 3.43Å; T53-H57 PolarHBondContact O-N 3.42Å
54D90.2Very high86.2Confident107 Ų107108 Ų10857%0.57252%0.518SS*.Hα-helixtrans-65.4-41.5176.3-65-21.8000111.5R50 T51 L52 H57 E58R50-D54 VanDerWaalsContact O-CG 3.31Å; R50-D54 PolarHBondContact O-N 3.21Å; T51-D54 PolarHBondContact O-N 2.83Å; L52-D54 VanDerWaalsContact C-N 3.33Å; D54-H57 PolarHBondContact O-N 3.49Å; D54-E58 PolarHBondContact O-N 2.72Å
55I90.8Very high84.1Confident100 Ų100112.4 Ų112.451%0.51353%0.53SS..Hα-helixtrans-64.2-45174.6-66.4165.7000110.9T51 L52 H57 E58 V59T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.77Å; T51-I55 VanDerWaalsContact O-N 3.07Å; L52-I55 PolarHBondContact O-N 2.86Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 2.79Å; I55-E58 PolarHBondContact O-N 2.91Å; I55-E58 VanDerWaalsContact O-N 3.14Å; I55-V59 HydrophobicContact CG2-CG2 4.22Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.23Å
56D90.8Very high82Confident105 Ų105111.8 Ų111.856%0.56153%0.525SS*.Hα-helixtrans-61.4-40.4178.8-169.855.4000111.7L52 T53 V59 K60L52-D56 WeakPolarHBondContact O-CB 3.43Å; L52-D56 PolarHBondContact O-N 2.97Å; T53-D56 PolarHBondContact O-N 3.16Å; D56-V59 PolarHBondContact O-N 3.25Å; D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.29Å; D56-K60 PolarHBondContact O-N 3.13Å
57H85.6Confident79.8Confident125 Ų125113 Ų11358%0.57953%0.532SS*.Hα-helixtrans-64.2-40.1172.7-76.6-56.7000112.8T53 D54 I55 K61T53-H57 PolarHBondContact O-CD2 3.43Å; T53-H57 PolarHBondContact O-N 3.42Å; D54-H57 PolarHBondContact O-N 3.49Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 2.79Å; H57-K61 WeakPolarHBondContact O-CB 3.38Å; H57-K61 PolarHBondContact O-N 3.28Å
58E85.2Confident77.6Confident98 Ų98116 Ų11646%0.45854%0.543SS..Hα-helixtrans-68.9-40.8176.8-16760.4-146.700111.8D54 I55 K60 K61 C62D54-E58 PolarHBondContact O-N 2.72Å; I55-E58 PolarHBondContact O-N 2.91Å; I55-E58 VanDerWaalsContact O-N 3.14Å; E58-K60 PolarHBondContact O-N 2.97Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 3.07Å; E58-C62 PolarHBondContact O-N 3.42Å; E58-C62 PolarHBondContact O-SG 3.45Å
59V81.3Confident75.4Confident71 Ų71114.1 Ų114.143%0.4354%0.54SS..Hα-helixtrans-60.4-47173.91720000110.3I55 D56 K61 C62 E63I55-V59 HydrophobicContact CG2-CG2 4.22Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.23Å; D56-V59 PolarHBondContact O-N 3.25Å; V59-K61 PolarHBondContact O-N 3.23Å; V59-C62 WeakPolarHBondContact O-CB 3.42Å; V59-C62 PolarHBondContact O-N 3.3Å; V59-C62 VanDerWaalsContact O-N 3.12Å; V59-E63 WeakPolarHBondContact O-CG 3.31Å; V59-E63 PolarHBondContact O-N 2.86Å
60K80.3Confident73.4Confident108 Ų108111.7 Ų111.747%0.4753%0.531SS..Hα-helixtrans-63.8-29.4177.1-167.8170.7-172.6169.20113D56 E58 R64D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.29Å; D56-K60 PolarHBondContact O-N 3.13Å; E58-K60 PolarHBondContact O-N 2.97Å; K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 3.01Å
61K74.4Confident71.3Confident113 Ų113107.9 Ų107.949%0.49154%0.537SS..Hα-helixtrans-75.1-37174-171.4-178.1177.2-170.40111.8H57 E58 V59 K65H57-K61 WeakPolarHBondContact O-CB 3.38Å; H57-K61 PolarHBondContact O-N 3.28Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 3.07Å; V59-K61 PolarHBondContact O-N 3.23Å; K61-K65 PolarHBondContact O-N 2.86Å
62C60.4Low69.4Low59 Ų59110.1 Ų110.140%0.39954%0.544SS..Hα-helixtrans-66.8-41.5173.1-75.70000112E58 V59 R64 K65 E66E58-C62 PolarHBondContact O-N 3.42Å; E58-C62 PolarHBondContact O-SG 3.45Å; V59-C62 WeakPolarHBondContact O-CB 3.42Å; V59-C62 PolarHBondContact O-N 3.3Å; V59-C62 VanDerWaalsContact O-N 3.12Å; C62-R64 VanDerWaalsContact C-N 3.31Å; C62-R64 PolarHBondContact O-N 2.89Å; C62-K65 PolarHBondContact O-N 3.33Å; C62-E66 PolarHBondContact O-N 2.81Å
63E60.4Low67.6Low105 Ų105112.5 Ų112.549%0.49155%0.55SS..Hα-helixtrans-60.6-39.1176.9-73.5-175.115600112.5V59 K65 E66 E67V59-E63 WeakPolarHBondContact O-CG 3.31Å; V59-E63 PolarHBondContact O-N 2.86Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.15Å; E63-E66 PolarHBondContact O-N 3Å; E63-E67 PolarHBondContact O-N 3.45Å
64R58.4Low66.4Low166 Ų166115.2 Ų115.263%0.62657%0.568SS**Hα-helixtrans-69.6-21.1175.4-71.6178.8-179.9161.9-2.9113.8K60 C62K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 3.01Å; C62-R64 VanDerWaalsContact C-N 3.31Å; C62-R64 PolarHBondContact O-N 2.89Å
65K53.1Low65.3Low149 Ų149120.6 Ų120.665%0.64858%0.581SS**Hα-helixtrans-85.4-30.2171.3-71.1-175.8177.9-177.50111.8K61 C62 E63K61-K65 PolarHBondContact O-N 2.86Å; C62-K65 PolarHBondContact O-N 3.33Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.15Å
66E50.8Low64.4Low92 Ų92120.6 Ų120.643%0.4358%0.578SS.*Hα-helixtrans-73.7-29.7174-75.1-168.818000113.5C62 E63 K68 S69 R70C62-E66 PolarHBondContact O-N 2.81Å; E63-E66 PolarHBondContact O-N 3Å; E66-K68 PolarHBondContact O-N 3.5Å; E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.23Å; E66-R70 WeakPolarHBondContact O-CB 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.81Å; E66-R70 IonicContact OE2-CZ 3.7Å; E66-R70 IonicContact OE2-NE 3.7Å; E66-R70 IonicContact OE2-NH2 2.84Å; E66-R70 PolarHBondContact OE2-NH2 2.81Å
67E51.3Low63.7Low141 Ų141121.6 Ų121.666%0.65958%0.578SS**THydrogen-bonded Turntrans-65.8-22.6176.3-78.8-174.8157.800113.2E63E63-E67 PolarHBondContact O-N 3.45Å
68K51.1Low63.5Low193 Ų193118.4 Ų118.484%0.83957%0.573SS**THydrogen-bonded Turntrans-87.5-11.8171.8-70.3-173.8178.5-177.20114.3E66E66-K68 PolarHBondContact O-N 3.5Å
69S48.9Very low63.6Low61 Ų61120.6 Ų120.643%0.42758%0.581SS.*THydrogen-bonded Turntrans-104.7-10.6173.464.50000113.8E66 A71 M72E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.23Å; S69-A71 PolarHBondContact O-N 3.4Å; S69-A71 VanDerWaalsContact O-N 3.09Å; S69-M72 WeakPolarHBondContact O-CB 3.46Å; S69-M72 PolarHBondContact O-N 3.07Å
70R53.6Low63.8Low133 Ų133124 Ų12450%0.50259%0.592SS.*THydrogen-bonded Turntrans-68.5-2.7176.5-79.6170.9-172-164.26.3115.1E66 M72E66-R70 WeakPolarHBondContact O-CB 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.81Å; E66-R70 IonicContact OE2-CZ 3.7Å; E66-R70 IonicContact OE2-NE 3.7Å; E66-R70 IonicContact OE2-NH2 2.84Å; E66-R70 PolarHBondContact OE2-NH2 2.81Å; R70-M72 VanDerWaalsContact C-N 3.26Å
71A50.3Low64.1Low96 Ų96125.2 Ų125.279%0.79360%0.6SS**THydrogen-bonded Turntrans-81-1.5165.400000113.5S69S69-A71 PolarHBondContact O-N 3.4Å; S69-A71 VanDerWaalsContact O-N 3.09Å
72M52.3Low64.8Low116 Ų116122 Ų12257%0.57159%0.594SS**SBendtrans-73.8129.1172.5-81.6-176.2133.400111S69 R70 E76S69-M72 WeakPolarHBondContact O-CB 3.46Å; S69-M72 PolarHBondContact O-N 3.07Å; R70-M72 VanDerWaalsContact C-N 3.26Å; M72-E76 WeakPolarHBondContact CB-OE2 3.41Å; M72-E76 WeakPolarHBondContact CE-OE2 3.43Å; M72-E76 WeakPolarHBondContact CG-OE2 3.38Å; M72-E76 VanDerWaalsContact SD-OE2 3.39Å
73K57.6Low66.2Low165 Ų165123.5 Ų123.572%0.71760%0.597SS**  trans-47.8141.3-169.8-65.8167.5179.9173.80110.5R75 E76K73-R75 PolarHBondContact O-N 3.14Å; K73-E76 PolarHBondContact O-N 2.92Å
74P67.6Low67.8Low117 Ų117125.9 Ų125.976%0.7661%0.605SS**Hα-helixtrans-51.2-18.9-177.716.8-30.4000114.7E76P74-E76 PolarHBondContact O-N 3.28Å
75R66.1Low69.4Low220 Ų220121.4 Ų121.483%0.8359%0.593SS**Hα-helixtrans-63.1-31.1173-166.6173.3173.7173.3-2.5114.6K73 K79K73-R75 PolarHBondContact O-N 3.14Å; R75-K79 PolarHBondContact O-N 2.99Å
76E72.7Confident71.2Confident99 Ų99117.9 Ų117.946%0.46358%0.581SS.*Hα-helixtrans-79.2-38.7-179.2-90.1174149.700112.9M72 K73 P74 A78 K79 E80M72-E76 WeakPolarHBondContact CB-OE2 3.41Å; M72-E76 WeakPolarHBondContact CE-OE2 3.43Å; M72-E76 WeakPolarHBondContact CG-OE2 3.38Å; M72-E76 VanDerWaalsContact SD-OE2 3.39Å; K73-E76 PolarHBondContact O-N 2.92Å; P74-E76 PolarHBondContact O-N 3.28Å; E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.49Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 3.42Å; E76-K79 VanDerWaalsContact O-N 3.08Å; E76-E80 PolarHBondContact O-N 2.98Å
77K76.1Confident73.2Confident126 Ų126121.8 Ų121.855%0.54860%0.597SS.*Hα-helixtrans-60.1-43.3174.7-78.1-171.4174.3-172.30112.3K79 E80 E81K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.91Å; K77-E80 PolarHBondContact O-N 2.84Å; K77-E81 PolarHBondContact O-N 2.72Å
78A81.4Confident75.2Confident59 Ų59119 Ų11949%0.48859%0.593SS.*Hα-helixtrans-62.7-33.6175.900000112.3E76 A82E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.49Å; A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 3.12Å
79K87.7Confident77Confident143 Ų143112.6 Ų112.662%0.62258%0.582SS**Hα-helixtrans-70.6-39.5177-170.1-178.6178-174.10111.9R75 E76 K77 M83R75-K79 PolarHBondContact O-N 2.99Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 3.42Å; E76-K79 VanDerWaalsContact O-N 3.08Å; K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.91Å; K79-M83 WeakPolarHBondContact O-CB 3.5Å; K79-M83 WeakPolarHBondContact O-CG 3.13Å; K79-M83 PolarHBondContact O-N 2.97Å
80E84.5Confident78.9Confident143 Ų143113 Ų11367%0.66859%0.588SS**Hα-helixtrans-68.7-42.9177.6-170.2177-178.700111.8E76 K77 M83 K84E76-E80 PolarHBondContact O-N 2.98Å; K77-E80 PolarHBondContact O-N 2.84Å; E80-M83 PolarHBondContact O-N 2.9Å; E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 PolarHBondContact O-N 3.35Å
81E87.4Confident80.3Confident134 Ų134110.3 Ų110.363%0.62658%0.583SS**Hα-helixtrans-65.1-43176.1-162174.9-166.200111.4K77 M83 K84 L85K77-E81 PolarHBondContact O-N 2.72Å; E81-M83 PolarHBondContact O-N 3.2Å; E81-K84 WeakPolarHBondContact O-CB 3.16Å; E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 VanDerWaalsContact O-N 3.15Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.22Å
82A88.3Confident81.9Confident45 Ų45110.8 Ų110.837%0.37258%0.581SS.*Hα-helixtrans-62-41.617300000112.3A78 K84 L85 L86A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 3.12Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.78Å; A82-L85 PolarHBondContact O-N 2.93Å; A82-L86 WeakPolarHBondContact O-CG 3.15Å; A82-L86 PolarHBondContact O-N 3.24Å
83M91.5Very high83.3Confident91 Ų91110.8 Ų110.845%0.44858%0.582SS.*Hα-helixtrans-64-35.2173.7-85.8-140-67.300112.3K79 E80 E81 L86 K87K79-M83 WeakPolarHBondContact O-CB 3.5Å; K79-M83 WeakPolarHBondContact O-CG 3.13Å; K79-M83 PolarHBondContact O-N 2.97Å; E80-M83 PolarHBondContact O-N 2.9Å; E81-M83 PolarHBondContact O-N 3.2Å; M83-L86 PolarHBondContact O-N 3.32Å; M83-K87 WeakPolarHBondContact O-CB 3.4Å; M83-K87 VanDerWaalsContact O-CG 3.29Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.48Å
84K92Very high84.4Confident155 Ų155109 Ų10967%0.67458%0.576SS**Hα-helixtrans-65.9-41.5176.4-166.7175.7-178.8-179.70111.3E80 E81 A82 K87 S88E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 PolarHBondContact O-N 3.35Å; E81-K84 WeakPolarHBondContact O-CB 3.16Å; E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 VanDerWaalsContact O-N 3.15Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.78Å; K84-K87 PolarHBondContact O-N 2.91Å; K84-S88 WeakPolarHBondContact O-CB 3.28Å; K84-S88 PolarHBondContact O-N 3.4Å; K84-S88 PolarHBondContact O-OG 3.45Å
85L93.8Very high84.9Confident71 Ų71110.4 Ų110.437%0.37258%0.577SS.*Hα-helixtrans-68.8-33.8176.6-66.9173000113.1E81 A82 S88 G89 A90 I91E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.22Å; A82-L85 PolarHBondContact O-N 2.93Å; L85-S88 PolarHBondContact O-OG 3.49Å; L85-G89 PolarHBondContact O-N 3.06Å; L85-A90 HydrophobicContact CB-CB 4.43Å; L85-A90 HydrophobicContact CD2-CB 3.9Å; L85-A90 PolarHBondContact O-N 3.28Å; L85-I91 HydrophobicContact CB-CD1 3.66Å; L85-I91 HydrophobicContact CB-CG1 3.96Å; L85-I91 HydrophobicContact CD1-CD1 3.77Å; L85-I91 HydrophobicContact CG-CD1 4.34Å; L85-I91 PolarHBondContact O-N 3.26Å; L85-I91 VanDerWaalsContact O-N 3.13Å
86L90.7Very high85.1Confident76 Ų76106 Ų10640%0.39856%0.564SS.*Hα-helixtrans-66.9-45.9170.3-75.5162.8000111.4A82 M83 G89 I91 I93A82-L86 WeakPolarHBondContact O-CG 3.15Å; A82-L86 PolarHBondContact O-N 3.24Å; M83-L86 PolarHBondContact O-N 3.32Å; L86-G89 PolarHBondContact O-N 3.44Å; L86-I91 HydrophobicContact CD2-CB 4.49Å; L86-I91 HydrophobicContact CD2-CG2 4.36Å; L86-I93 HydrophobicContact CD1-CD1 4.25Å; L86-I93 HydrophobicContact CD2-CD1 3.48Å; L86-I93 VanDerWaalsContact CD2-CD1 3.48Å; L86-I93 HydrophobicContact CD2-CG1 3.7Å
87K92.8Very high84.8Confident174 Ų174108.8 Ų108.876%0.75758%0.582SS**Hα-helixtrans-66.9-35.1179.2-76.2178.1-179.7-177.40113.1M83 K84 G89M83-K87 WeakPolarHBondContact O-CB 3.4Å; M83-K87 VanDerWaalsContact O-CG 3.29Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.48Å; K84-K87 PolarHBondContact O-N 2.91Å; K87-G89 PolarHBondContact O-N 3.46Å
88S93Very high84.4Confident82 Ų82110.2 Ų110.257%0.57359%0.591SS**THydrogen-bonded Turntrans-78.5-3.4177.471.70000113.3K84 L85 A90K84-S88 WeakPolarHBondContact O-CB 3.28Å; K84-S88 PolarHBondContact O-N 3.4Å; K84-S88 PolarHBondContact O-OG 3.45Å; L85-S88 PolarHBondContact O-OG 3.49Å; S88-A90 PolarHBondContact O-N 3.35Å; S88-A90 WeakPolarHBondContact OG-CB 3.3Å
89G88.1Confident83.7Confident59 Ų59118.1 Ų118.161%0.60861%0.608SS**THydrogen-bonded Turntrans6912.8-174.700000114.1L85 L86 K87 I91L85-G89 PolarHBondContact O-N 3.06Å; L86-G89 PolarHBondContact O-N 3.44Å; K87-G89 PolarHBondContact O-N 3.46Å; G89-I91 VanDerWaalsContact C-N 3.29Å
90A90.4Very high82.7Confident68 Ų68119.6 Ų119.656%0.56262%0.617SS**SBendtrans-72.6-27.6177.600000111.7L85 S88L85-A90 HydrophobicContact CB-CB 4.43Å; L85-A90 HydrophobicContact CD2-CB 3.9Å; L85-A90 PolarHBondContact O-N 3.28Å; S88-A90 PolarHBondContact O-N 3.35Å; S88-A90 WeakPolarHBondContact OG-CB 3.3Å
91I82.2Confident81.7Confident78 Ų78117.3 Ų117.340%0.461%0.613SS.*SBendtrans-120.8123.4170.7-59.3173000107.5L85 L86 G89L85-I91 HydrophobicContact CB-CD1 3.66Å; L85-I91 HydrophobicContact CB-CG1 3.96Å; L85-I91 HydrophobicContact CD1-CD1 3.77Å; L85-I91 HydrophobicContact CG-CD1 4.34Å; L85-I91 PolarHBondContact O-N 3.26Å; L85-I91 VanDerWaalsContact O-N 3.13Å; L86-I91 HydrophobicContact CD2-CB 4.49Å; L86-I91 HydrophobicContact CD2-CG2 4.36Å; G89-I91 VanDerWaalsContact C-N 3.29Å
92S84.3Confident80.8Confident105 Ų105118.9 Ų118.973%0.73462%0.618SS**  trans-105.4124169.5-174.60000108.7E94S92-E94 PolarHBondContact O-N 3.35Å
93I81.1Confident79.8Confident117 Ų117125.9 Ų125.960%0.664%0.64SS**  trans-90.997.3172.1-58.9169.9000106.3L86 N95L86-I93 HydrophobicContact CD1-CD1 4.25Å; L86-I93 HydrophobicContact CD2-CD1 3.48Å; L86-I93 VanDerWaalsContact CD2-CD1 3.48Å; L86-I93 HydrophobicContact CD2-CG1 3.7Å; I93-N95 PolarHBondContact O-N 3.03Å
94E80.8Confident78.7Confident126 Ų126132.1 Ų132.159%0.58966%0.658SS**  trans-66.4124.5165.3-81.3-177.3130.400108.6S92 K96S92-E94 PolarHBondContact O-N 3.35Å; E94-K96 HydrophobicContact CB-CD 4.22Å; E94-K96 HydrophobicContact CB-CG 4.18Å; E94-K96 VanDerWaalsContact CD-CE 3.44Å; E94-K96 PolarHBondContact O-N 3.29Å; E94-K96 WeakPolarHBondContact OE1-CE 3.38Å; E94-K96 IonicContact OE1-NZ 3.04Å; E94-K96 PolarHBondContact OE1-NZ 2.98Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.26Å
95N77Confident77.4Confident148 Ų148134.3 Ų134.379%0.79167%0.668SS**  trans-7070.2171.7-66.5-31.7000109.9I93I93-N95 PolarHBondContact O-N 3.03Å
96K71Confident76.1Confident127 Ų127136.6 Ų136.655%0.55269%0.687SS**  trans-101.4104.3172.3-71.2175179.3167.30107.4E94 E98E94-K96 HydrophobicContact CB-CD 4.22Å; E94-K96 HydrophobicContact CB-CG 4.18Å; E94-K96 VanDerWaalsContact CD-CE 3.44Å; E94-K96 PolarHBondContact O-N 3.29Å; E94-K96 WeakPolarHBondContact OE1-CE 3.38Å; E94-K96 IonicContact OE1-NZ 3.04Å; E94-K96 PolarHBondContact OE1-NZ 2.98Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.26Å; K96-E98 HydrophobicContact CB-CB 4.46Å; K96-E98 PolarHBondContact O-N 3.37Å
97N67.7Low74.7Confident158 Ų158142.9 Ų142.985%0.84571%0.711SS**  trans-6720.2176.4-45.9-10.8000112.1R99N97-R99 PolarHBondContact O-N 2.88Å; N97-R99 VanDerWaalsContact O-N 3.13Å
98E67.7Low72.5Confident156 Ų156143.6 Ų143.673%0.72972%0.717SS**  trans-85.794.6-171.2-158162.3-154.400107.4K96 H100K96-E98 HydrophobicContact CB-CB 4.46Å; K96-E98 PolarHBondContact O-N 3.37Å; E98-H100 PolarHBondContact O-N 3.27Å
99R66.2Low70.6Confident224 Ų224145.2 Ų145.285%0.84573%0.728SS**  trans-58.392.8168.7-74.5-178.5175-174.3-1.1107.9N97 T101N97-R99 PolarHBondContact O-N 2.88Å; N97-R99 VanDerWaalsContact O-N 3.13Å; R99-T101 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-OG1 3.26Å
100H67.4Low68.9Low175 Ų175150.8 Ų150.881%0.8174%0.739SS**  trans-71.874.1170.3-155.363.6000108.4E98 F102E98-H100 PolarHBondContact O-N 3.27Å; H100-F102 PolarHBondContact O-N 3.38Å
101T62Low67.1Low94 Ų94156.3 Ų156.358%0.57775%0.753SS**  trans-81.5111169.237.10000106.8R99 K103R99-T101 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-OG1 3.26Å; T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 3.05Å
102F68.8Low65.9Low168 Ų168160.2 Ų160.274%0.73777%0.774SS**  trans-58.298.5165.737.9-88.9000107.5H100 R104H100-F102 PolarHBondContact O-N 3.38Å; F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 3.07Å
103K68Low64.4Low192 Ų192163.4 Ų163.484%0.83578%0.778SS**  trans-61.288.7176.3-69.5-90.9-174.5173.40108.8T101T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 3.05Å
104R68.5Low63.2Low222 Ų222164 Ų16484%0.83879%0.787SS**PPolyproline II helixtrans-81.4117.8158.1-75.3-177.7157173.4-5.3106.9F102 P106F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 3.07Å; R104-P106 WeakPolarHBondContact O-CD 3.35Å
105K63.7Low61.6Low200 Ų200163.9 Ų163.987%0.8780%0.797SS**PPolyproline II helixtrans-60.9124.7178-71.5-81-174.9166.60109.7
106P65.9Low60.1Low120 Ų120160.1 Ų160.178%0.77979%0.793SS**PPolyproline II helixtrans-66.7136.1166.4-13.428.4000109.4R104R104-P106 WeakPolarHBondContact O-CD 3.35Å
107K62Low59Low208 Ų208160.1 Ų160.190%0.90481%0.806SS**PPolyproline II helixtrans-91.5118.5175.2-170.5168.4-178.8176.20107.7
108E46Very low58Low188 Ų188159.2 Ų159.288%0.87980%0.801SS**PPolyproline II helixtrans-69.3140.9174.3-67.3161.9171.500110.5
109S53.4Low57.4Low116 Ų116157.1 Ų157.181%0.81180%0.799SS**  trans-157.1119.9149.756.70000108.7
110E53.4Low56.5Low177 Ų177152.9 Ų152.983%0.82779%0.793SS**  trans-41.9156.8158.7-65.1160.2132.800110.2
111E53Low55.6Low184 Ų184150.9 Ų150.986%0.8680%0.795SS**  -168.6142.765.1-74172.2-173.100109
112D56.2Low55.1Low159 Ų159155.8 Ų155.885%0.8581%0.809SS**  trans-74.7142175.5-81.4-48.8000112.7
113E52.4Low54.3Low173 Ų173153.9 Ų153.981%0.80881%0.811SS**  trans59.8121.6141.9-75.1-157.7154.200123.5
114V55.9Low53.8Low130 Ų130154.7 Ų154.779%0.78881%0.814SS**  trans103.5138132.1166.70000118.2
115P47.1Very low53.4Low122 Ų122152.6 Ų152.679%0.79281%0.814SS**  -125.6165.5-125.940.6-27.9000116.4
116G45.6Very low53.1Low70 Ų70147.3 Ų147.372%0.72280%0.802SS**  trans134.5161.9154.900000114.5
117P48.8Very low53Low126 Ų126149 Ų14982%0.81880%0.804SS**  -118179.6-94.537.2-30.1000112.7
118N47Very low53.1Low139 Ų139148 Ų14874%0.74380%0.796SS**  trans83.999.2153.3-155.3-8000116.6
119V53.8Low53.8Low112 Ų112149.6 Ų149.668%0.67979%0.794SS**  171.3126.3109.9-87.40000112.2
120N47Very low54.6Low136 Ų136150.8 Ų150.873%0.72779%0.791SS**  trans70.3115.4151.9-61-39.7000120.9K122N120-K122 PolarHBondContact O-N 2.76Å
121P48.5Very low55.1Low132 Ų132149.5 Ų149.586%0.85778%0.783SS**  trans-76.4109.5166.831-29000110.1V123P121-V123 PolarHBondContact O-N 3.05Å
122K51.6Low55.6Low197 Ų197148.3 Ų148.386%0.85778%0.782SS**  trans-73.4106.8169.2-75178.4178.5173.10110.2N120 K124N120-K122 PolarHBondContact O-N 2.76Å; K122-K124 PolarHBondContact O-N 3.16Å
123V53.5Low56.2Low129 Ų129146.7 Ų146.778%0.78278%0.78SS**  trans17.294.2142.1-170.90000115.4P121 Q125P121-V123 PolarHBondContact O-N 3.05Å; V123-Q125 PolarHBondContact O-N 3.34Å
124K57Low56.8Low208 Ų208141.1 Ų141.190%0.90477%0.769SS**  trans-76.3107.3156.5-72.9-179.3179.4176.30107.5K122 S126K122-K124 PolarHBondContact O-N 3.16Å; K124-S126 PolarHBondContact O-N 3.01Å; K124-S126 VanDerWaalsContact O-N 3.16Å
125Q60.5Low57.1Low178 Ų178140.9 Ų140.983%0.83277%0.77SS**  trans-56.6116.8173.4-79.2174.9-21.800109.9V123 L127V123-Q125 PolarHBondContact O-N 3.34Å; Q125-L127 PolarHBondContact O-N 2.87Å
126S57.5Low57.6Low89 Ų89142.3 Ų142.362%0.62277%0.769SS**  trans-66.4110.517253.90000110K124 Y128K124-S126 PolarHBondContact O-N 3.01Å; K124-S126 VanDerWaalsContact O-N 3.16Å; S126-Y128 PolarHBondContact O-N 3.12Å
127L63.4Low58Low156 Ų156146.1 Ų146.182%0.81777%0.772SS**G310 helixtrans-61-8.6175.1-75.6165000114.2Q125Q125-L127 PolarHBondContact O-N 2.87Å
128Y63Low58.1Low187 Ų187147.6 Ų147.673%0.73377%0.773SS**G310 helixtrans-87.7-1.1-175.8-101.6-92.4000115.7S126 N130 F131S126-Y128 PolarHBondContact O-N 3.12Å; Y128-N130 PolarHBondContact O-N 2.9Å; Y128-F131 AromaticContact CD1-CD2 3.76Å; Y128-F131 HydrophobicContact CD1-CD2 3.76Å; Y128-F131 AromaticContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CE1-CD2 4.08Å; Y128-F131 AromaticContact CE1-CE2 3.89Å; Y128-F131 HydrophobicContact CE1-CE2 3.89Å
129R61.2Low58.1Low221 Ų221145.6 Ų145.683%0.83478%0.776SS**G310 helixtrans-72.2-9.4-178.6-153.8-173.6179175.61.3114.1F131R129-F131 VanDerWaalsContact C-N 3.34Å; R129-F131 PolarHBondContact O-N 3.29Å
130N71.3Confident57.8Low142 Ų142149 Ų14976%0.75979%0.79SS**G310 helixtrans-84.9-3.4-175.8-65.1-23000114.5Y128 L132Y128-N130 PolarHBondContact O-N 2.9Å; N130-L132 PolarHBondContact O-N 2.81Å
131F63.1Low57.6Low149 Ų149145.7 Ų145.765%0.65479%0.787SS**  trans-88.882.1174.1-62.8-77.9000109.6Y128 R129 P133Y128-F131 AromaticContact CD1-CD2 3.76Å; Y128-F131 HydrophobicContact CD1-CD2 3.76Å; Y128-F131 AromaticContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CE1-CD2 4.08Å; Y128-F131 AromaticContact CE1-CE2 3.89Å; Y128-F131 HydrophobicContact CE1-CE2 3.89Å; R129-F131 VanDerWaalsContact C-N 3.34Å; R129-F131 PolarHBondContact O-N 3.29Å; F131-P133 WeakPolarHBondContact O-CD 3.44Å
132L62.5Low57.5Low160 Ų160145 Ų14584%0.83878%0.783SS**  trans-66.4123.1161.8-75.8166.2000108.2N130 G134N130-L132 PolarHBondContact O-N 2.81Å; L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.13Å
133P70.5Confident57.3Low125 Ų125144 Ų14481%0.81278%0.782SS**  trans-61.6114.7169.8-19.632.4000109.1F131F131-P133 WeakPolarHBondContact O-CD 3.44Å
134G63.4Low57.1Low56 Ų56145.2 Ų145.258%0.57778%0.779SS**  trans-65.4154.4173.700000111.6L132 I136L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.13Å; G134-I136 PolarHBondContact O-N 2.93Å
135P63.8Low56.7Low124 Ų124144.7 Ų144.781%0.80578%0.777SS**  trans-59.9130.1-171.823.4-33.1000112.2L137P135-L137 PolarHBondContact O-N 2.99Å
136I56.9Low55.9Low153 Ų153147.2 Ų147.279%0.78578%0.778SS**  trans-72.7109.3171.6-56.9169.5000107G134G134-I136 PolarHBondContact O-N 2.93Å
137L53.8Low55.6Low150 Ų150151.2 Ų151.279%0.78579%0.791SS**  trans-80.8125.3164.5-66.2174.5000107.5P135P135-L137 PolarHBondContact O-N 2.99Å
138N52.1Low54.5Low156 Ų156150.5 Ų150.583%0.83479%0.788SS**  trans96.282.8177.8-50.3-21.2000115.3
139A45Very low53.7Low98 Ų98148.4 Ų148.481%0.8179%0.794SS**  trans-132.291.5148.500000107.3
140L48.8Very low53.1Low183 Ų183143.2 Ų143.296%0.95879%0.792SS**PPolyproline II helixtrans-77.6123.8160.2-126.491.7000106
141G41.7Very low52Low66 Ų66141.4 Ų141.468%0.6879%0.79SS**PPolyproline II helixtrans-66.4166-17300000114.8
142P46.8Very low50.9Low119 Ų119142.2 Ų142.277%0.77380%0.801SS**PPolyproline II helixtrans-88.4149.4-171.436.6-31.3000111
143E48.2Very low50.5Low176 Ų176144.8 Ų144.882%0.82280%0.802SS**  trans-150.6148.4152.1-89.8-52.414100109
144E48.8Very low49.4Very low154 Ų154148.5 Ų148.572%0.7281%0.805SS**  trans-78148.8-152.5-56.1165.3147.700114.3
145K48.9Very low48.5Very low197 Ų197150.4 Ų150.486%0.85782%0.815SS**  168.2125.1116.9-89158.4-172.7176.10111.2
146R43.4Very low47.7Very low231 Ų231149.2 Ų149.287%0.87282%0.816SS**  trans-71.4144.3172-57.7-176.6174.9-179.1-1.7109.7
147I51.2Low46.7Very low172 Ų172148.2 Ų148.288%0.88282%0.817SS**  trans-156.3118139.7-85.5133.2000105.9
148D40.5Very low46.4Very low142 Ų142147.2 Ų147.276%0.75982%0.821SS**  trans-65.2154.6167.2-67.5-58.3000110.6
149V45.8Very low46Very low142 Ų142148.9 Ų148.986%0.86182%0.824SS**  172.4121.2126.51580000108.9
150S48Very low45.9Very low112 Ų112147.7 Ų147.778%0.78382%0.821SS**  trans-47.4147.8167.5-60.30000114.4
151S49.3Very low45.5Very low104 Ų104147 Ų14773%0.72782%0.819SS**  -176.7130.6115.243.20000111.5
152N40.4Very low45.5Very low166 Ų166150.2 Ų150.289%0.88883%0.829SS**  trans-73.9144.3164.9-76.6-45000109.9
153Y52.7Low45.4Very low215 Ų215150.7 Ų150.784%0.84383%0.83SS**  trans-141.4137.6143.839.9-91.2000110.8
154K48.2Very low45Very low202 Ų202149.8 Ų149.888%0.87883%0.831SS**  trans-66.9156.5-176.1-88.3172.4165.61750113
155A43.7Very low44.7Very low96 Ų96146.7 Ų146.779%0.79383%0.832SS**  trans58.9123.4135.600000118.8
156A47.3Very low44.7Very low100 Ų100143.4 Ų143.483%0.82683%0.833SS**  177.5131.894.900000110.1
157T37.2Very low44.9Very low131 Ų131140.6 Ų140.680%0.80483%0.83SS**  trans-56.9135.4161.9-53.20000110.6
158C46.2Very low44.7Very low129 Ų129137.7 Ų137.787%0.87282%0.82SS**  trans-161.2131.2142.7-104.60000110.4
159E43.3Very low45.1Very low192 Ų192139.5 Ų139.590%0.89783%0.829SS**  trans-64.1147.8169.1-57.2-107.5146.600110.3
160G43.5Very low45.3Very low73 Ų73143.5 Ų143.575%0.75383%0.829SS**  trans165.696.2171.800000112.8C162G160-C162 PolarHBondContact O-N 3.12Å
161N40.5Very low45.5Very low169 Ų169144.3 Ų144.390%0.90483%0.829SS**  trans-60.9126.2164.9-73.9-28.7000109.7
162C41.2Very low45.5Very low133 Ų133148.8 Ų148.890%0.89984%0.836SS**  trans-142.1127.8154.8-85.50000108.6G160G160-C162 PolarHBondContact O-N 3.12Å
163T44.6Very low45.8Very low129 Ų129153.1 Ų153.179%0.79184%0.84SS**  trans-71.1148176.138.30000112.3
164D41.2Very low45.5Very low157 Ų157151.1 Ų151.184%0.8484%0.835SS**  trans80.7132.5147.8-76.2-29.7000123
165A41.4Very low45.5Very low89 Ų89150.6 Ų150.674%0.73684%0.836SS**  trans71.897.915100000117.9
166S48.8Very low45.8Very low128 Ų128155.4 Ų155.490%0.89584%0.842SS**  trans-165.392132.1-74.90000110.2
167E47.8Very low45.8Very low172 Ų172157.5 Ų157.580%0.80484%0.838SS**  trans-49.6125.1156.6-147.6-178.2165.100108.7
168T48Very low46Very low110 Ų110158.4 Ų158.468%0.67584%0.839SS**  166.9122.290.926.30000106.1
169L48.8Very low46.1Very low181 Ų181160.4 Ų160.495%0.94884%0.839SS**  trans-163.294.6144.1-97.2177000107.1
170R48.7Very low46.2Very low225 Ų225158.8 Ų158.885%0.84984%0.836SS**  trans-67.5141.7173.2-68.4173.2170.3175.1-2.8109.5
171T53Low46.3Very low130 Ų130163.4 Ų163.480%0.79884%0.843SS**  -175120.4128.224.10000113.6
172K48.3Very low46.4Very low198 Ų198162.3 Ų162.386%0.86184%0.837SS**SBendtrans6675.8146.1-60.3-176.6177.9178.40120.7
173R48.2Very low46.7Very low256 Ų256161.9 Ų161.997%0.96683%0.826SS**  trans-164.839.9144-141.9178.7-178.8129.6-1.6116.8
174K46.1Very low47Very low174 Ų174163.1 Ų163.176%0.75782%0.82SS**  trans-145.483.6-179.1-151.9175.6-176.1-178.90113.1
175Q47.2Very low46.9Very low191 Ų191162.8 Ų162.889%0.89382%0.818SS**SBendtrans-146.685160.7-77.1-173.8-17.300107
176Q50.3Low47.3Very low197 Ų197167 Ų16792%0.92183%0.827SS**SBendtrans-179.817.9158-104.3179.339.700114.1
177L47.8Very low47Very low143 Ų143167.9 Ų167.975%0.74982%0.822SS**SBendtrans-146.386.4176.8-159.691.8000108.9
178N41.7Very low46.8Very low151 Ų151165.2 Ų165.281%0.80782%0.818SS**  trans173.387.8162-90.2-8.8000108.7
179L48.4Very low46.5Very low170 Ų170167.4 Ų167.489%0.8983%0.825SS**  trans-146122.2160.6-104.3154.3000106.8
180L44.9Very low46.3Very low158 Ų158166.9 Ų166.983%0.82782%0.818SS**  trans86.569.4161.6-132.268.9000118
181L45.1Very low46Very low171 Ų171164.7 Ų164.790%0.89582%0.822SS**  trans-107.3106.9139-9283.5000106.7
182D43.4Very low46Very low146 Ų146164.3 Ų164.378%0.78181%0.811SS**  trans-149.9114.1154.1-96.2-31.1000109.1
183D47.7Very low46.1Very low123 Ų123158.1 Ų158.166%0.65879%0.791SS**  trans77.6127136.6-107.6-26.8000122.9
184K49.4Very low46.2Very low156 Ų156151.8 Ų151.868%0.67878%0.783SS**  trans96.2103.8157.2-46-48.6174-150.60119.3
185N39.8Very low46.3Very low149 Ų149151.2 Ų151.280%0.79779%0.789SS**  trans47.4102133.5-75.9-68.3000118.8
186L49.7Very low46.6Very low177 Ų177149.3 Ų149.393%0.92777%0.773SS**  -167.2141.5126.7-128.475.3000111
187D42.3Very low46.9Very low148 Ų148142.9 Ų142.979%0.79175%0.748SS**  trans-46.7140.4-178.5-74.9-58.3000117
188T45.2Very low47.6Very low116 Ų116141.3 Ų141.371%0.71275%0.745SS**SBendtrans67.4102.4143.9-43.80000119.3
189D41.6Very low48.9Very low155 Ų155135.6 Ų135.683%0.82971%0.713SS**  trans47.467.7145.2-75.2-20.1000119.2
190Q43Very low51Low171 Ų171129 Ų12980%0.79968%0.681SS**  trans-143.176.1156.9-73.1-154.385.200113.3H192Q190-H192 PolarHBondContact O-N 3.36Å
191L43.2Very low53.4Low178 Ų178122.1 Ų122.193%0.93265%0.646SS**  trans-90.579.9161.3-71.2175.5000110.2
192H53.1Low55.9Low123 Ų123114 Ų11457%0.56960%0.603SS**  trans-110.3119.2167.8-87.1-94.4000110.7Q190Q190-H192 PolarHBondContact O-N 3.36Å
193P50.7Low58.4Low68 Ų68109.7 Ų109.744%0.44258%0.576SS.*  trans-65.8144.217626.2-32.9000111.1N195P193-N195 PolarHBondContact O-N 3.38Å
194P48.9Very low60.7Low123 Ų123103.8 Ų103.880%0.79955%0.545SS*.THydrogen-bonded Turntrans-81.880-167.234.1-34.2000110.4
195N49.8Very low63Low162 Ų16296.9 Ų96.987%0.86652%0.518SS*.THydrogen-bonded Turntrans175.215.7157.5-106.7-56.7000114.4P193P193-N195 PolarHBondContact O-N 3.38Å
196R52.6Low65.7Low151 Ų15191.1 Ų91.157%0.5749%0.485SS*.SBendtrans-75.9130.3174.4-67.3-172.6-167.7-169.46.4109.2T198R196-T198 PolarHBondContact O-N 3.07Å
197P56.1Low67.8Low61 Ų6186.4 Ų86.440%0.39646%0.458SS..  trans-49.6119.6168.5-20.729.4000107.9H199 P270P197-H199 PolarHBondContact O-N 2.89Å; P197-H199 PolarHBondContact O-ND1 3.08Å; P197-P270 HydrophobicContact CG-CB 4.4Å; P197-P270 HydrophobicContact CG-CG 4.37Å
198T62.4Low70.2Confident111 Ų11184 Ų8468%0.68145%0.445SS*.  trans-47113-179.642.80000108R196 S200R196-T198 PolarHBondContact O-N 3.07Å; T198-S200 PolarHBondContact O-N 2.88Å
199H70.8Confident72.6Confident31 Ų3178.7 Ų78.714%0.14441%0.413CS..  trans-67.592.8-163.9-61.6-64.3000109.8P197 T201 N243 Y266P197-H199 PolarHBondContact O-N 2.89Å; P197-H199 PolarHBondContact O-ND1 3.08Å; H199-T201 VanDerWaalsContact C-N 3.32Å; H199-N243 PolarHBondContact O-ND2 2.83Å; H199-N243 VanDerWaalsContact O-ND2 3.16Å; H199-Y266 HydrophobicContact CB-CD1 3.62Å; H199-Y266 HydrophobicContact CB-CE1 4.12Å; H199-Y266 HydrophobicContact CB-CG 4.31Å; H199-Y266 VanDerWaalsContact O-CE1 3.24Å; H199-Y266 WeakPolarHBondContact O-CE1 3.37Å
200S92.1Very high75.2Confident31 Ų3174.6 Ų74.622%0.21739%0.394CS..  trans-89.4-5.6172.164.20000112.1T198 M240T198-S200 PolarHBondContact O-N 2.88Å; S200-M240 WeakPolarHBondContact CB-O 3.34Å; S200-M240 PolarHBondContact O-N 3.45Å
201T95Very high77.7Confident13 Ų1371.4 Ų71.48%0.0838%0.379CS..EExtended strand (participates in β ladder)trans-99.7123-179.4-52.80000111.2H199 V238 T239 A267 F271H199-T201 VanDerWaalsContact C-N 3.32Å; T201-V238 CarbonylContact C-O 3.49Å; T201-V238 VanDerWaalsContact CA-O 3.29Å; T201-V238 WeakPolarHBondContact CA-O 3.32Å; T201-T239 PolarHBondContact OG1-OG1 3.11Å; T201-A267 HydrophobicContact CG2-CB 3.93Å; T201-A267 VanDerWaalsContact O-CB 3.29Å; T201-A267 WeakPolarHBondContact O-CB 3.46Å; T201-A267 PolarHBondContact O-N 3.3Å; T201-F271 HydrophobicContact CG2-CD2 4.29Å
202L96.3Very high80.3Confident0 Ų066.8 Ų66.80%036%0.359CS..EExtended strand (participates in β ladder)trans-101.2143.2178.6-58.4173.7000109.9F218 Y237 V238 M240 A246 A249 L250 V264 S265 Y266L202-F218 HydrophobicContact CD1-CD1 4.41Å; L202-F218 HydrophobicContact CD1-CE1 3.78Å; L202-Y237 CarbonylContact O-C 3.52Å; L202-Y237 VanDerWaalsContact O-CA 3.27Å; L202-Y237 WeakPolarHBondContact O-CA 3.36Å; L202-V238 PolarHBondContact N-O 2.83Å; L202-V238 PolarHBondContact O-N 3.48Å; L202-M240 HydrophobicContact CD1-CG 4.2Å; L202-A246 HydrophobicContact CD1-CB 4.46Å; L202-A246 HydrophobicContact CD2-CB 4.26Å; L202-A246 HydrophobicContact CG-CB 4.37Å; L202-A249 HydrophobicContact CD1-CB 3.68Å; L202-L250 HydrophobicContact CD2-CD1 4.31Å; L202-V264 HydrophobicContact CB-CG1 4.31Å; L202-V264 HydrophobicContact CD1-CG1 4.13Å; L202-S265 CarbonylContact C-O 3.51Å; L202-S265 WeakPolarHBondContact CA-O 3.21Å; L202-Y266 HydrophobicContact CD2-CD1 3.89Å; L202-Y266 HydrophobicContact CD2-CE1 3.99Å
203Y96.6Very high82.3Confident56 Ų5662.9 Ų62.922%0.2234%0.341CS..EExtended strand (participates in β ladder)trans-90.8126.8162.7170.9-89.8000108.3H235 Y237 V264 S265Y203-H235 HydrophobicContact CD2-CB 4.4Å; Y203-H235 HydrophobicContact CE2-CB 3.51Å; Y203-H235 AromaticContact CE2-CD2 3.81Å; Y203-H235 AromaticContact CE2-CG 3.88Å; Y203-Y237 HydrophobicContact CD2-CD1 4.31Å; Y203-Y237 AromaticContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CG-CE1 4.48Å; Y203-V264 WeakPolarHBondContact O-CA 3.34Å; Y203-S265 PolarHBondContact N-O 3.03Å; Y203-S265 PolarHBondContact O-N 3.3Å
204V96.8Very high84.5Confident0 Ų059.7 Ų59.70%032%0.32CS..EExtended strand (participates in β ladder)trans-118113.5178.2-174.60000108.1I209 I214 F218 H235 A236 V238 L262 R263V204-I209 HydrophobicContact CG1-CD1 4.35Å; V204-I209 WeakPolarHBondContact O-CD1 3.32Å; V204-I214 HydrophobicContact CB-CD1 4.29Å; V204-I214 HydrophobicContact CG1-CD1 3.81Å; V204-F218 HydrophobicContact CG1-CE2 4.24Å; V204-F218 HydrophobicContact CG1-CZ 4.38Å; V204-F218 HydrophobicContact CG2-CE1 4.35Å; V204-F218 HydrophobicContact CG2-CE2 3.82Å; V204-F218 HydrophobicContact CG2-CZ 3.43Å; V204-F218 VanDerWaalsContact CG2-CZ 3.43Å; V204-H235 CarbonylContact O-C 3.45Å; V204-H235 WeakPolarHBondContact O-CA 3.15Å; V204-A236 PolarHBondContact N-O 2.89Å; V204-A236 PolarHBondContact O-N 3.42Å; V204-V238 HydrophobicContact CG2-CB 4.43Å; V204-V238 HydrophobicContact CG2-CG2 3.67Å; V204-L262 HydrophobicContact CG1-CD1 3.52Å; V204-L262 HydrophobicContact CG1-CG 4.3Å; V204-R263 CarbonylContact C-O 3.5Å; V204-R263 VanDerWaalsContact CA-O 3.31Å; V204-R263 WeakPolarHBondContact CA-O 3.34Å
205G96.5Very high86.8Confident11 Ų1157.6 Ų57.611%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-99.9118.4174.900000110.2R263G205-R263 PolarHBondContact N-O 3.36Å; G205-R263 PolarHBondContact O-N 2.93Å
206Y96.4Very high89Confident28 Ų2855.3 Ų55.311%0.1129%0.287CS..  trans-164.1153.2178-168.5-98.8000109.6I209 F213 N234 V257 S258 R260 L262Y206-I209 HydrophobicContact CD1-CG1 4.15Å; Y206-I209 HydrophobicContact CG-CG1 4.38Å; Y206-I209 WeakPolarHBondContact O-CD1 3.49Å; Y206-I209 WeakPolarHBondContact O-CG1 3.39Å; Y206-F213 AromaticContact CD1-CE1 3.75Å; Y206-F213 HydrophobicContact CD1-CE1 3.75Å; Y206-F213 AromaticContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CE1-CE1 4.03Å; Y206-F213 HydrophobicContact CE1-CE2 4.42Å; Y206-F213 AromaticContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CG-CE1 4.21Å; Y206-F213 HydrophobicContact CG-CZ 4.42Å; Y206-N234 PolarHBondContact N-O 3.17Å; Y206-N234 VanDerWaalsContact N-O 3.12Å; Y206-N234 CarbonylContact O-C 3.04Å; Y206-N234 WeakPolarHBondContact O-CA 3.48Å; Y206-V257 HydrophobicContact CE2-CB 4.34Å; Y206-V257 PolarHBondContact OH-O 3.46Å; Y206-S258 VanDerWaalsContact OH-CB 3.32Å; Y206-S258 WeakPolarHBondContact OH-CB 3.42Å; Y206-R260 HydrophobicContact CD2-CB 4.46Å; Y206-R260 HydrophobicContact CE2-CB 3.65Å; Y206-L262 HydrophobicContact CD2-CD1 3.9Å; Y206-L262 HydrophobicContact CG-CD1 4.05Å
207H94.6Very high91Very high77 Ų7749.4 Ų49.436%0.35627%0.268SS..THydrogen-bonded Turntrans-81.1138.1-176.1-176.359.3000112I209 N234 R260H207-I209 VanDerWaalsContact C-N 3.31Å; H207-I209 PolarHBondContact O-N 3.49Å; H207-N234 PolarHBondContact ND1-OD1 2.91Å; H207-R260 PolarHBondContact CD2-NH1 3.44Å
208N93.4Very high93Very high97 Ų9746.5 Ų46.552%0.51925%0.249SC..THydrogen-bonded Turntrans51.147.6-180-60.6-24.6000112.9T210 S233N208-T210 PolarHBondContact O-N 2.95Å; N208-S233 WeakPolarHBondContact CA-O 3.42Å; N208-S233 PolarHBondContact N-O 3.34Å
209I95.1Very high94.6Very high5 Ų548.8 Ų48.83%0.02625%0.25CC..  trans-61.4130176.9-75.2164000109.9V204 Y206 H207 I214 I229 S233 A236V204-I209 HydrophobicContact CG1-CD1 4.35Å; V204-I209 WeakPolarHBondContact O-CD1 3.32Å; Y206-I209 HydrophobicContact CD1-CG1 4.15Å; Y206-I209 HydrophobicContact CG-CG1 4.38Å; Y206-I209 WeakPolarHBondContact O-CD1 3.49Å; Y206-I209 WeakPolarHBondContact O-CG1 3.39Å; H207-I209 VanDerWaalsContact C-N 3.31Å; H207-I209 PolarHBondContact O-N 3.49Å; I209-I214 HydrophobicContact CG1-CD1 4.46Å; I209-I214 HydrophobicContact CG2-CD1 3.76Å; I209-I214 HydrophobicContact CG2-CG1 3.47Å; I209-I214 VanDerWaalsContact CG2-CG1 3.47Å; I209-I229 HydrophobicContact CG2-CG1 4.4Å; I209-S233 PolarHBondContact N-O 3.18Å; I209-A236 HydrophobicContact CD1-CB 4.22Å; I209-A236 HydrophobicContact CG2-CB 3.86Å
210T96.2Very high95.8Very high70 Ų7052.1 Ų52.143%0.42927%0.274SS..  trans-112.6153.3168.461.40000110.1N208 F213 I214N208-T210 PolarHBondContact O-N 2.95Å; T210-F213 PolarHBondContact O-N 2.83Å; T210-F213 VanDerWaalsContact OG1-CB 3.32Å; T210-F213 WeakPolarHBondContact OG1-CB 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å
211E95.8Very high96Very high103 Ų10353.9 Ų53.948%0.48128%0.276SS..Hα-helixtrans-57-45.3176.2-167.7168.9-167.800113.6F213 I214 H215 I227 I229E211-F213 PolarHBondContact O-N 3.17Å; E211-I214 PolarHBondContact O-N 3.14Å; E211-H215 PolarHBondContact O-CD2 3.39Å; E211-H215 PolarHBondContact O-N 2.99Å; E211-I227 HydrophobicContact CG-CB 4.25Å; E211-I227 HydrophobicContact CG-CD1 3.78Å; E211-I227 HydrophobicContact CG-CG2 4.31Å; E211-I229 HydrophobicContact CB-CD1 4.21Å
212P96.4Very high96.1Very high81 Ų8154 Ų5453%0.52628%0.28SS..Hα-helixtrans-61.4-40.7176.322.1-34.9000113.1I214 H215 D216P212-I214 VanDerWaalsContact C-N 3.32Å; P212-I214 PolarHBondContact O-N 3.42Å; P212-H215 WeakPolarHBondContact O-CB 3.32Å; P212-H215 PolarHBondContact O-N 2.98Å; P212-H215 VanDerWaalsContact O-N 3.12Å; P212-D216 PolarHBondContact O-N 3.45Å
213F95.8Very high96.1Very high42 Ų4258.4 Ų58.418%0.18431%0.307CS..Hα-helixtrans-58.3-44.4177.7170-101.5000112Y206 T210 E211 H215 D216 V217 V257Y206-F213 AromaticContact CD1-CE1 3.75Å; Y206-F213 HydrophobicContact CD1-CE1 3.75Å; Y206-F213 AromaticContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CE1-CE1 4.03Å; Y206-F213 HydrophobicContact CE1-CE2 4.42Å; Y206-F213 AromaticContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CG-CE1 4.21Å; Y206-F213 HydrophobicContact CG-CZ 4.42Å; T210-F213 PolarHBondContact O-N 2.83Å; T210-F213 VanDerWaalsContact OG1-CB 3.32Å; T210-F213 WeakPolarHBondContact OG1-CB 3.47Å; E211-F213 PolarHBondContact O-N 3.17Å; F213-H215 VanDerWaalsContact C-N 3.35Å; F213-D216 PolarHBondContact O-N 2.92Å; F213-V217 HydrophobicContact CD2-CG2 4.19Å; F213-V217 HydrophobicContact CE1-CG2 4.33Å; F213-V217 HydrophobicContact CE2-CG2 3.82Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 VanDerWaalsContact O-CG2 3.31Å; F213-V217 WeakPolarHBondContact O-CG2 3.34Å; F213-V217 PolarHBondContact O-N 3.27Å; F213-V257 HydrophobicContact CE2-CG1 3.54Å; F213-V257 HydrophobicContact CZ-CB 4.43Å; F213-V257 HydrophobicContact CZ-CG1 3.62Å
214I96.7Very high96.1Very high0 Ų056.7 Ų56.70%030%0.302CS..Hα-helixtrans-65.3-40.8177.1-64.8-64.7000110.9V204 I209 T210 E211 P212 F218 I227 A236 V238V204-I214 HydrophobicContact CB-CD1 4.29Å; V204-I214 HydrophobicContact CG1-CD1 3.81Å; I209-I214 HydrophobicContact CG1-CD1 4.46Å; I209-I214 HydrophobicContact CG2-CD1 3.76Å; I209-I214 HydrophobicContact CG2-CG1 3.47Å; I209-I214 VanDerWaalsContact CG2-CG1 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å; E211-I214 PolarHBondContact O-N 3.14Å; P212-I214 VanDerWaalsContact C-N 3.32Å; P212-I214 PolarHBondContact O-N 3.42Å; I214-F218 HydrophobicContact CD1-CE2 4.32Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 4.41Å; I214-F218 WeakPolarHBondContact O-CB 3.35Å; I214-F218 VanDerWaalsContact O-CD2 3.3Å; I214-F218 WeakPolarHBondContact O-CD2 3.49Å; I214-F218 PolarHBondContact O-N 2.92Å; I214-I227 HydrophobicContact CB-CD1 4.02Å; I214-I227 HydrophobicContact CG2-CD1 3.66Å; I214-I227 HydrophobicContact CG2-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG2 4.37Å; I214-A236 HydrophobicContact CD1-CB 4.49Å; I214-A236 HydrophobicContact CG1-CB 4.49Å; I214-V238 HydrophobicContact CG2-CB 4.49Å; I214-V238 HydrophobicContact CG2-CG1 4.18Å; I214-V238 HydrophobicContact CG2-CG2 3.45Å; I214-V238 VanDerWaalsContact CG2-CG2 3.45Å
215H96.7Very high96Very high79 Ų7961.3 Ų61.337%0.36633%0.33SS..Hα-helixtrans-58.9-48.5175.2-92-69.6000111.7E211 P212 F213 V217 F218 K219 I227E211-H215 PolarHBondContact O-CD2 3.39Å; E211-H215 PolarHBondContact O-N 2.99Å; P212-H215 WeakPolarHBondContact O-CB 3.32Å; P212-H215 PolarHBondContact O-N 2.98Å; P212-H215 VanDerWaalsContact O-N 3.12Å; F213-H215 VanDerWaalsContact C-N 3.35Å; H215-V217 PolarHBondContact O-N 3.18Å; H215-F218 PolarHBondContact O-N 3.07Å; H215-K219 WeakPolarHBondContact O-CB 3.31Å; H215-K219 PolarHBondContact O-N 3.4Å; H215-I227 WeakPolarHBondContact CD2-CD1 3.48Å; H215-I227 VanDerWaalsContact NE2-CD1 3.31Å; H215-I227 WeakPolarHBondContact NE2-CD1 3.19Å
216D96Very high95.9Very high115 Ų11565.1 Ų65.162%0.61534%0.341SS*.Hα-helixtrans-64.2-42.7-177.2-68.5-24.7000112.4P212 F213P212-D216 PolarHBondContact O-N 3.45Å; F213-D216 PolarHBondContact O-N 2.92Å
217V96.2Very high95.9Very high27 Ų2764.8 Ų64.816%0.16434%0.341CS..Hα-helixtrans-69.5-39.1-179.8172.60000112.2F213 H215 P220 L252 L262F213-V217 HydrophobicContact CD2-CG2 4.19Å; F213-V217 HydrophobicContact CE1-CG2 4.33Å; F213-V217 HydrophobicContact CE2-CG2 3.82Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 VanDerWaalsContact O-CG2 3.31Å; F213-V217 WeakPolarHBondContact O-CG2 3.34Å; F213-V217 PolarHBondContact O-N 3.27Å; H215-V217 PolarHBondContact O-N 3.18Å; V217-P220 WeakPolarHBondContact O-CD 3.33Å; V217-L252 HydrophobicContact CG1-CD1 3.86Å; V217-L262 HydrophobicContact CG1-CD2 3.95Å
218F97Very high95.9Very high0 Ų066.1 Ų66.10%034%0.343CS..Hα-helixtrans-92-16.1-175-75.7-97.9000114.3L202 V204 I214 H215 P220 Y221 G222 V224 V238 M240 A249 L252 V264L202-F218 HydrophobicContact CD1-CD1 4.41Å; L202-F218 HydrophobicContact CD1-CE1 3.78Å; V204-F218 HydrophobicContact CG1-CE2 4.24Å; V204-F218 HydrophobicContact CG1-CZ 4.38Å; V204-F218 HydrophobicContact CG2-CE1 4.35Å; V204-F218 HydrophobicContact CG2-CE2 3.82Å; V204-F218 HydrophobicContact CG2-CZ 3.43Å; V204-F218 VanDerWaalsContact CG2-CZ 3.43Å; I214-F218 HydrophobicContact CD1-CE2 4.32Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 4.41Å; I214-F218 WeakPolarHBondContact O-CB 3.35Å; I214-F218 VanDerWaalsContact O-CD2 3.3Å; I214-F218 WeakPolarHBondContact O-CD2 3.49Å; I214-F218 PolarHBondContact O-N 2.92Å; H215-F218 PolarHBondContact O-N 3.07Å; F218-P220 VanDerWaalsContact C-CD 3.48Å; F218-Y221 PolarHBondContact O-N 3.03Å; F218-G222 PolarHBondContact O-N 3.25Å; F218-V224 HydrophobicContact CB-CG2 3.84Å; F218-V238 HydrophobicContact CD1-CG1 4.48Å; F218-V238 HydrophobicContact CG-CG1 4.5Å; F218-M240 HydrophobicContact CD1-SD 4.23Å; F218-A249 HydrophobicContact CD1-CB 3.79Å; F218-A249 HydrophobicContact CE1-CB 3.83Å; F218-L252 HydrophobicContact CD1-CD1 4.17Å; F218-L252 HydrophobicContact CE1-CD1 3.97Å; F218-L252 HydrophobicContact CE2-CD1 4.37Å; F218-L252 HydrophobicContact CG-CD1 4.45Å; F218-L252 HydrophobicContact CZ-CD1 4.06Å; F218-V264 HydrophobicContact CE1-CG1 4.38Å; F218-V264 HydrophobicContact CZ-CG1 4.28Å; F218-V264 HydrophobicContact CZ-CG2 4.13Å
219K96.3Very high96Very high159 Ų15965.1 Ų65.169%0.69134%0.337SS*.G310 helixtrans-48.7-45.2177.1-178.4176.3-176.4-177.90114.7H215 Y221 G222H215-K219 WeakPolarHBondContact O-CB 3.31Å; H215-K219 PolarHBondContact O-N 3.4Å; K219-Y221 PolarHBondContact O-N 3.36Å; K219-G222 PolarHBondContact O-N 3.04Å
220P96.6Very high95.9Very high100 Ų10065.6 Ų65.665%0.64934%0.343SS*.G310 helixtrans-68.5-17.5178.823.3-31.5000114.1V217 F218V217-P220 WeakPolarHBondContact O-CD 3.33Å; F218-P220 VanDerWaalsContact C-CD 3.48Å
221Y96.8Very high95.5Very high68 Ų6869.8 Ų69.827%0.26736%0.363SS..G310 helixtrans-98.3-9.5-177.9-58.2-86.2000113.4F218 K219 M245 S248 A249 L252F218-Y221 PolarHBondContact O-N 3.03Å; K219-Y221 PolarHBondContact O-N 3.36Å; Y221-M245 WeakPolarHBondContact O-CB 3.39Å; Y221-M245 WeakPolarHBondContact O-CG 3.39Å; Y221-S248 WeakPolarHBondContact CD1-O 3.33Å; Y221-A249 HydrophobicContact CG-CB 4.2Å; Y221-L252 HydrophobicContact CD2-CD1 3.66Å; Y221-L252 HydrophobicContact CD2-CD2 4.29Å; Y221-L252 HydrophobicContact CD2-CG 4.05Å; Y221-L252 HydrophobicContact CE1-CD2 4.41Å; Y221-L252 HydrophobicContact CE1-CG 4.28Å; Y221-L252 HydrophobicContact CE2-CD1 3.56Å; Y221-L252 HydrophobicContact CE2-CD2 3.35Å; Y221-L252 HydrophobicContact CE2-CG 3.55Å; Y221-L252 HydrophobicContact CG-CD1 4.41Å; Y221-L252 VanDerWaalsContact CZ-CD2 3.41Å; Y221-L252 WeakPolarHBondContact OH-CD2 3.05Å
222G95.8Very high95.2Very high16 Ų1668.5 Ų68.517%0.16536%0.363CS..  trans152.1-174.217400000114.9F218 K219F218-G222 PolarHBondContact O-N 3.25Å; K219-G222 PolarHBondContact O-N 3.04Å
223T96.6Very high94.9Very high92 Ų9266.8 Ų66.856%0.56435%0.354SS*.  trans-82.8122.5176.5-52.70000110.6A241 M245T223-A241 PolarHBondContact O-N 2.7Å; T223-M245 PolarHBondContact N-SD 3.06Å
224V96.5Very high94.8Very high20 Ų2068 Ų6812%0.12136%0.362CS..EExtended strand (participates in β ladder)trans-83118.7173.7-178.50000109.2F218 I227 V238 M240F218-V224 HydrophobicContact CB-CG2 3.84Å; V224-I227 HydrophobicContact CG1-CD1 3.93Å; V224-I227 HydrophobicContact CG1-CG1 3.5Å; V224-V238 HydrophobicContact CG1-CG1 3.69Å; V224-V238 HydrophobicContact CG2-CG1 4.14Å; V224-M240 HydrophobicContact CG2-CE 4.49Å; V224-M240 HydrophobicContact CG2-SD 4.11Å
225V95.2Very high94.7Very high97 Ų9769.9 Ų69.959%0.58837%0.371SS*.EExtended strand (participates in β ladder)trans-83.3-38.6-179.9176.40000111.1T239 A241V225-T239 HydrophobicContact CB-CG2 4.44Å; V225-T239 WeakPolarHBondContact CB-O 3.31Å; V225-T239 PolarHBondContact N-O 3.4Å; V225-A241 VanDerWaalsContact CG2-CA 3.48Å; V225-A241 HydrophobicContact CG2-CB 3.85Å
226R94.2Very high94.7Very high92 Ų9266.1 Ų66.135%0.34735%0.353SS..EExtended strand (participates in β ladder)trans-155.1137.7-174.5-169-177.1-169.9167.315.2111.3T239R226-T239 PolarHBondContact N-O 3.44Å; R226-T239 PolarHBondContact O-N 2.94Å
227I96.1Very high94.7Very high21 Ų2163.7 Ų63.711%0.10834%0.336CS..EExtended strand (participates in β ladder)trans-116.1137.2170-58.4171.7000108.6E211 I214 H215 V224 I229E211-I227 HydrophobicContact CG-CB 4.25Å; E211-I227 HydrophobicContact CG-CD1 3.78Å; E211-I227 HydrophobicContact CG-CG2 4.31Å; I214-I227 HydrophobicContact CB-CD1 4.02Å; I214-I227 HydrophobicContact CG2-CD1 3.66Å; I214-I227 HydrophobicContact CG2-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG2 4.37Å; H215-I227 WeakPolarHBondContact CD2-CD1 3.48Å; H215-I227 VanDerWaalsContact NE2-CD1 3.31Å; H215-I227 WeakPolarHBondContact NE2-CD1 3.19Å; V224-I227 HydrophobicContact CG1-CD1 3.93Å; V224-I227 HydrophobicContact CG1-CG1 3.5Å; I227-I229 HydrophobicContact CG2-CG1 4.19Å
228R94.9Very high94.7Very high105 Ų10562.4 Ų62.440%0.39633%0.328SS..EExtended strand (participates in β ladder)trans-132.4108.2171.5-79.5-172.7159.5-163-6.5109.3A236 Y237R228-A236 CarbonylContact O-C 3.32Å; R228-A236 VanDerWaalsContact O-CA 3.27Å; R228-A236 WeakPolarHBondContact O-CA 3.45Å; R228-Y237 PolarHBondContact N-O 3.47Å; R228-Y237 PolarHBondContact O-N 3.11Å
229I96Very high94.7Very high75 Ų7563.7 Ų63.739%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-80.8130176.4-55.6174.3000108.3I209 E211 I227 A236I209-I229 HydrophobicContact CG2-CG1 4.4Å; E211-I229 HydrophobicContact CB-CD1 4.21Å; I227-I229 HydrophobicContact CG2-CG1 4.19Å; I229-A236 HydrophobicContact CG1-CB 4.4Å
230G91.9Very high94.6Very high15 Ų1556.2 Ų56.216%0.15530%0.304CS..  trans-76.6160174.700000111.8P232 S233 H235G230-P232 CarbonylContact C-O 3.54Å; G230-P232 VanDerWaalsContact C-O 3.32Å; G230-P232 CarbonylContact O-C 3.11Å; G230-S233 WeakPolarHBondContact O-CA 3.31Å; G230-S233 PolarHBondContact O-N 2.72Å; G230-H235 PolarHBondContact N-O 3.15Å
231N89.1Confident94.6Very high159 Ų15954 Ų5485%0.8529%0.293SS*.SBendtrans-110.4121.6170-167.96.3000108.2
232P88.1Confident94.5Very high75 Ų7553.6 Ų53.649%0.48730%0.298SS..SBendcis-67.1159.2-1.631-36.1000112.4G230 N234G230-P232 CarbonylContact C-O 3.54Å; G230-P232 VanDerWaalsContact C-O 3.32Å; G230-P232 CarbonylContact O-C 3.11Å; P232-N234 PolarHBondContact O-N 3.16Å
233S89.6Confident94.4Very high46 Ų4655.1 Ų55.132%0.32230%0.303SS..THydrogen-bonded Turntrans-65.231-177.751.90000115N208 I209 G230N208-S233 WeakPolarHBondContact CA-O 3.42Å; N208-S233 PolarHBondContact N-O 3.34Å; I209-S233 PolarHBondContact N-O 3.18Å; G230-S233 WeakPolarHBondContact O-CA 3.31Å; G230-S233 PolarHBondContact O-N 2.72Å
234N94Very high94.3Very high67 Ų6757.8 Ų57.836%0.35831%0.308SS..THydrogen-bonded Turntrans-94.1-2.1178.3-65.3-37.5000113Y206 H207 P232Y206-N234 PolarHBondContact N-O 3.17Å; Y206-N234 VanDerWaalsContact N-O 3.12Å; Y206-N234 CarbonylContact O-C 3.04Å; Y206-N234 WeakPolarHBondContact O-CA 3.48Å; H207-N234 PolarHBondContact ND1-OD1 2.91Å; P232-N234 PolarHBondContact O-N 3.16Å
235H95.5Very high94.3Very high40 Ų4059.5 Ų59.519%0.18532%0.316CS..EExtended strand (participates in β ladder)trans-151155.817666-73.2000111.8Y203 V204 G230 Y237Y203-H235 HydrophobicContact CD2-CB 4.4Å; Y203-H235 HydrophobicContact CE2-CB 3.51Å; Y203-H235 AromaticContact CE2-CD2 3.81Å; Y203-H235 AromaticContact CE2-CG 3.88Å; V204-H235 CarbonylContact O-C 3.45Å; V204-H235 WeakPolarHBondContact O-CA 3.15Å; G230-H235 PolarHBondContact N-O 3.15Å; H235-Y237 AromaticContact CD2-CE2 3.72Å; H235-Y237 AromaticContact NE2-CE2 3.98Å
236A96.7Very high94.3Very high0 Ų054.9 Ų54.90%029%0.288CS..EExtended strand (participates in β ladder)trans-138.6156.9171.500000110.8V204 I209 I214 R228 I229V204-A236 PolarHBondContact N-O 2.89Å; V204-A236 PolarHBondContact O-N 3.42Å; I209-A236 HydrophobicContact CD1-CB 4.22Å; I209-A236 HydrophobicContact CG2-CB 3.86Å; I214-A236 HydrophobicContact CD1-CB 4.49Å; I214-A236 HydrophobicContact CG1-CB 4.49Å; R228-A236 CarbonylContact O-C 3.32Å; R228-A236 VanDerWaalsContact O-CA 3.27Å; R228-A236 WeakPolarHBondContact O-CA 3.45Å; I229-A236 HydrophobicContact CG1-CB 4.4Å
237Y96Very high94.4Very high64 Ų6455.3 Ų55.325%0.25129%0.294SS..EExtended strand (participates in β ladder)trans-111.5123.8170.1-62.9-82.2000109.1L202 Y203 R228 H235 A267 F271L202-Y237 CarbonylContact O-C 3.52Å; L202-Y237 VanDerWaalsContact O-CA 3.27Å; L202-Y237 WeakPolarHBondContact O-CA 3.36Å; Y203-Y237 HydrophobicContact CD2-CD1 4.31Å; Y203-Y237 AromaticContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CG-CE1 4.48Å; R228-Y237 PolarHBondContact N-O 3.47Å; R228-Y237 PolarHBondContact O-N 3.11Å; H235-Y237 AromaticContact CD2-CE2 3.72Å; H235-Y237 AromaticContact NE2-CE2 3.98Å; Y237-A267 HydrophobicContact CD1-CB 3.95Å; Y237-A267 HydrophobicContact CE1-CB 4.18Å; Y237-F271 AromaticContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CZ 4.14Å; Y237-F271 AromaticContact CD2-CE2 3.72Å; Y237-F271 HydrophobicContact CD2-CE2 3.72Å; Y237-F271 AromaticContact CD2-CZ 3.67Å; Y237-F271 HydrophobicContact CD2-CZ 3.67Å; Y237-F271 AromaticContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CZ 4.2Å; Y237-F271 HydrophobicContact CE2-CE2 4.14Å; Y237-F271 AromaticContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CG-CD2 4.46Å; Y237-F271 AromaticContact CG-CE2 3.37Å; Y237-F271 HydrophobicContact CG-CE2 3.37Å; Y237-F271 AromaticContact CG-CZ 3.84Å; Y237-F271 HydrophobicContact CG-CZ 3.84Å
238V96.4Very high94.4Very high0 Ų056.6 Ų56.60%031%0.305CS..EExtended strand (participates in β ladder)trans-118.4114.2-173.4-173.80000108.4T201 L202 V204 I214 F218 V224 M240T201-V238 CarbonylContact C-O 3.49Å; T201-V238 VanDerWaalsContact CA-O 3.29Å; T201-V238 WeakPolarHBondContact CA-O 3.32Å; L202-V238 PolarHBondContact N-O 2.83Å; L202-V238 PolarHBondContact O-N 3.48Å; V204-V238 HydrophobicContact CG2-CB 4.43Å; V204-V238 HydrophobicContact CG2-CG2 3.67Å; I214-V238 HydrophobicContact CG2-CB 4.49Å; I214-V238 HydrophobicContact CG2-CG1 4.18Å; I214-V238 HydrophobicContact CG2-CG2 3.45Å; I214-V238 VanDerWaalsContact CG2-CG2 3.45Å; F218-V238 HydrophobicContact CD1-CG1 4.48Å; F218-V238 HydrophobicContact CG-CG1 4.5Å; V224-V238 HydrophobicContact CG1-CG1 3.69Å; V224-V238 HydrophobicContact CG2-CG1 4.14Å; V238-M240 HydrophobicContact CG1-SD 3.97Å
239T95.5Very high94.5Very high27 Ų2751.6 Ų51.617%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-93.8116.8175.6-56.30000109.2T201 V225 R226T201-T239 PolarHBondContact OG1-OG1 3.11Å; V225-T239 HydrophobicContact CB-CG2 4.44Å; V225-T239 WeakPolarHBondContact CB-O 3.31Å; V225-T239 PolarHBondContact N-O 3.4Å; R226-T239 PolarHBondContact N-O 3.44Å; R226-T239 PolarHBondContact O-N 2.94Å
240M96Very high94.6Very high2 Ų250.9 Ų50.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-83.6157174.8-55.7-56.8-72.400111.1S200 L202 F218 V224 V238 M245 A246S200-M240 WeakPolarHBondContact CB-O 3.34Å; S200-M240 PolarHBondContact O-N 3.45Å; L202-M240 HydrophobicContact CD1-CG 4.2Å; F218-M240 HydrophobicContact CD1-SD 4.23Å; V224-M240 HydrophobicContact CG2-CE 4.49Å; V224-M240 HydrophobicContact CG2-SD 4.11Å; V238-M240 HydrophobicContact CG1-SD 3.97Å; M240-M245 HydrophobicContact CB-CB 4.25Å; M240-M245 HydrophobicContact CE-CB 4.08Å; M240-A246 HydrophobicContact CB-CB 4.15Å; M240-A246 HydrophobicContact CG-CB 3.98Å
241A94.9Very high94.8Very high53 Ų5358.2 Ų58.244%0.43831%0.31SS..SBendtrans-65.9-39.2178.500000113.1T223 V225 M245T223-A241 PolarHBondContact O-N 2.7Å; V225-A241 VanDerWaalsContact CG2-CA 3.48Å; V225-A241 HydrophobicContact CG2-CB 3.85Å; A241-M245 HydrophobicContact CB-SD 4.07Å
242T94.9Very high95.1Very high60 Ų6050.7 Ų50.737%0.36827%0.27SS..SBendtrans-128.5157.9179.7700000111.5Q244 M245 A246T242-Q244 VanDerWaalsContact C-N 3.35Å; T242-M245 HydrophobicContact CG2-SD 4.4Å; T242-M245 PolarHBondContact O-N 2.98Å; T242-M245 WeakPolarHBondContact OG1-CB 3.48Å; T242-M245 WeakPolarHBondContact OG1-CG 3.41Å; T242-M245 PolarHBondContact OG1-N 3.02Å; T242-A246 PolarHBondContact O-N 3.31Å
243N93.5Very high95.5Very high48 Ų4849.7 Ų49.726%0.25726%0.261SS..Hα-helixtrans-68.1-34.3176-177.7-95.2000112.2H199 M245 A246 Q247H199-N243 PolarHBondContact O-ND2 2.83Å; H199-N243 VanDerWaalsContact O-ND2 3.16Å; N243-M245 VanDerWaalsContact C-N 3.34Å; N243-M245 PolarHBondContact O-N 3.5Å; N243-A246 WeakPolarHBondContact O-CB 3.45Å; N243-A246 PolarHBondContact O-N 3.35Å; N243-A246 VanDerWaalsContact O-N 3.14Å; N243-Q247 WeakPolarHBondContact O-CG 3.44Å; N243-Q247 PolarHBondContact O-N 3.47Å; N243-Q247 PolarHBondContact OD1-NE2 2.95Å
244Q95.4Very high95.8Very high147 Ų14753.5 Ų53.569%0.68727%0.273SS*.Hα-helixtrans-62.7-38.5175-68.7-179.3-13.900112.5T242 Q247 S248T242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-Q247 PolarHBondContact O-N 3.05Å; Q244-S248 PolarHBondContact O-N 3.21Å; Q244-S248 PolarHBondContact O-OG 3.16Å
245M96.3Very high95.9Very high56 Ų5654.5 Ų54.528%0.27628%0.275SS..Hα-helixtrans-64.6-41.5172.4-72.7171.7-178.100111.3Y221 T223 M240 A241 T242 N243 Q247 S248 A249Y221-M245 WeakPolarHBondContact O-CB 3.39Å; Y221-M245 WeakPolarHBondContact O-CG 3.39Å; T223-M245 PolarHBondContact N-SD 3.06Å; M240-M245 HydrophobicContact CB-CB 4.25Å; M240-M245 HydrophobicContact CE-CB 4.08Å; A241-M245 HydrophobicContact CB-SD 4.07Å; T242-M245 HydrophobicContact CG2-SD 4.4Å; T242-M245 PolarHBondContact O-N 2.98Å; T242-M245 WeakPolarHBondContact OG1-CB 3.48Å; T242-M245 WeakPolarHBondContact OG1-CG 3.41Å; T242-M245 PolarHBondContact OG1-N 3.02Å; N243-M245 VanDerWaalsContact C-N 3.34Å; N243-M245 PolarHBondContact O-N 3.5Å; M245-Q247 PolarHBondContact O-N 2.87Å; M245-S248 PolarHBondContact O-N 3.48Å; M245-A249 WeakPolarHBondContact O-CB 3.37Å; M245-A249 PolarHBondContact O-N 3.38Å
246A96.1Very high95.9Very high0 Ų057.7 Ų57.70%029%0.292CS..Hα-helixtrans-63.1-40.3175.900000112.6L202 M240 T242 N243 A249 L250 Y266L202-A246 HydrophobicContact CD1-CB 4.46Å; L202-A246 HydrophobicContact CD2-CB 4.26Å; L202-A246 HydrophobicContact CG-CB 4.37Å; M240-A246 HydrophobicContact CB-CB 4.15Å; M240-A246 HydrophobicContact CG-CB 3.98Å; T242-A246 PolarHBondContact O-N 3.31Å; N243-A246 WeakPolarHBondContact O-CB 3.45Å; N243-A246 PolarHBondContact O-N 3.35Å; N243-A246 VanDerWaalsContact O-N 3.14Å; A246-A249 PolarHBondContact O-N 3.01Å; A246-L250 PolarHBondContact O-N 3.28Å; A246-L250 VanDerWaalsContact O-N 3.07Å; A246-Y266 HydrophobicContact CB-CE1 4.44Å
247Q95.8Very high95.7Very high101 Ų10158.8 Ų58.847%0.47230%0.299SS..Hα-helixtrans-63.2-42.1173.7-75.1177-14.800112N243 Q244 M245 L250 Y266N243-Q247 WeakPolarHBondContact O-CG 3.44Å; N243-Q247 PolarHBondContact O-N 3.47Å; N243-Q247 PolarHBondContact OD1-NE2 2.95Å; Q244-Q247 PolarHBondContact O-N 3.05Å; M245-Q247 PolarHBondContact O-N 2.87Å; Q247-L250 VanDerWaalsContact O-CB 3.31Å; Q247-L250 WeakPolarHBondContact O-CB 3.47Å; Q247-L250 PolarHBondContact O-N 3.06Å; Q247-Y266 WeakPolarHBondContact CG-OH 3.28Å
248S96.8Very high95.4Very high49 Ų4960.1 Ų60.134%0.34332%0.317SS..Hα-helixtrans-64.2-42177.2-61.40000111.6Y221 Q244 M245 L250 K251Y221-S248 WeakPolarHBondContact CD1-O 3.33Å; Q244-S248 PolarHBondContact O-N 3.21Å; Q244-S248 PolarHBondContact O-OG 3.16Å; M245-S248 PolarHBondContact O-N 3.48Å; S248-L250 VanDerWaalsContact C-N 3.26Å; S248-L250 PolarHBondContact O-N 3.3Å; S248-K251 WeakPolarHBondContact O-CB 3.43Å; S248-K251 WeakPolarHBondContact O-CG 3.43Å; S248-K251 PolarHBondContact O-N 3.46Å
249A97.2Very high95.3Very high0 Ų067.4 Ų67.40%036%0.356CS..Hα-helixtrans-69-20.2176.900000113.5L202 F218 Y221 M245 A246 K251 L252L202-A249 HydrophobicContact CD1-CB 3.68Å; F218-A249 HydrophobicContact CD1-CB 3.79Å; F218-A249 HydrophobicContact CE1-CB 3.83Å; Y221-A249 HydrophobicContact CG-CB 4.2Å; M245-A249 WeakPolarHBondContact O-CB 3.37Å; M245-A249 PolarHBondContact O-N 3.38Å; A246-A249 PolarHBondContact O-N 3.01Å; A249-K251 PolarHBondContact O-N 2.88Å; A249-L252 WeakPolarHBondContact O-CB 3.41Å; A249-L252 WeakPolarHBondContact O-CG 3.31Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.14Å
250L96.4Very high95.2Very high59 Ų5972.2 Ų72.231%0.30937%0.371SS..G310 helixtrans-64.4-22.7174.1-159.578.3000112.1L202 A246 Q247 S248 L252 D253 V264 Y266L202-L250 HydrophobicContact CD2-CD1 4.31Å; A246-L250 PolarHBondContact O-N 3.28Å; A246-L250 VanDerWaalsContact O-N 3.07Å; Q247-L250 VanDerWaalsContact O-CB 3.31Å; Q247-L250 WeakPolarHBondContact O-CB 3.47Å; Q247-L250 PolarHBondContact O-N 3.06Å; S248-L250 VanDerWaalsContact C-N 3.26Å; S248-L250 PolarHBondContact O-N 3.3Å; L250-L252 PolarHBondContact O-N 3.2Å; L250-L252 VanDerWaalsContact O-N 3.16Å; L250-D253 WeakPolarHBondContact O-CB 3.42Å; L250-D253 PolarHBondContact O-N 3.45Å; L250-V264 HydrophobicContact CD1-CG1 4.49Å; L250-Y266 HydrophobicContact CD1-CD2 4.36Å; L250-Y266 HydrophobicContact CD1-CE2 4.25Å; L250-Y266 HydrophobicContact CD2-CE2 3.97Å
251K95.9Very high95.2Very high169 Ų16977 Ų7774%0.73540%0.396SS*.G310 helixtrans-64.8-14.2174.6-60.2178.2-179.3179.40113.5S248 A249S248-K251 WeakPolarHBondContact O-CB 3.43Å; S248-K251 WeakPolarHBondContact O-CG 3.43Å; S248-K251 PolarHBondContact O-N 3.46Å; A249-K251 PolarHBondContact O-N 2.88Å
252L95.9Very high95.3Very high2 Ų274.4 Ų74.41%0.0138%0.375CS..G310 helixtrans-75-11.3173.1-69.8175.7000113.3V217 F218 Y221 A249 L250 H254 Q255 L262 V264V217-L252 HydrophobicContact CG1-CD1 3.86Å; F218-L252 HydrophobicContact CD1-CD1 4.17Å; F218-L252 HydrophobicContact CE1-CD1 3.97Å; F218-L252 HydrophobicContact CE2-CD1 4.37Å; F218-L252 HydrophobicContact CG-CD1 4.45Å; F218-L252 HydrophobicContact CZ-CD1 4.06Å; Y221-L252 HydrophobicContact CD2-CD1 3.66Å; Y221-L252 HydrophobicContact CD2-CD2 4.29Å; Y221-L252 HydrophobicContact CD2-CG 4.05Å; Y221-L252 HydrophobicContact CE1-CD2 4.41Å; Y221-L252 HydrophobicContact CE1-CG 4.28Å; Y221-L252 HydrophobicContact CE2-CD1 3.56Å; Y221-L252 HydrophobicContact CE2-CD2 3.35Å; Y221-L252 HydrophobicContact CE2-CG 3.55Å; Y221-L252 HydrophobicContact CG-CD1 4.41Å; Y221-L252 VanDerWaalsContact CZ-CD2 3.41Å; Y221-L252 WeakPolarHBondContact OH-CD2 3.05Å; A249-L252 WeakPolarHBondContact O-CB 3.41Å; A249-L252 WeakPolarHBondContact O-CG 3.31Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.14Å; L250-L252 PolarHBondContact O-N 3.2Å; L250-L252 VanDerWaalsContact O-N 3.16Å; L252-H254 PolarHBondContact O-N 2.99Å; L252-Q255 VanDerWaalsContact O-CB 3.31Å; L252-Q255 WeakPolarHBondContact O-CB 3.38Å; L252-Q255 PolarHBondContact O-N 3.49Å; L252-L262 HydrophobicContact CB-CD2 4.25Å; L252-V264 HydrophobicContact CB-CG2 4.01Å
253D97.1Very high95.4Very high54 Ų5478.3 Ų78.329%0.28938%0.383SS..THydrogen-bonded Turntrans-59.9133.2178.6-163.829.3000109.9L250 Q255 R263 V264L250-D253 WeakPolarHBondContact O-CB 3.42Å; L250-D253 PolarHBondContact O-N 3.45Å; D253-Q255 PolarHBondContact O-N 2.91Å; D253-R263 WeakPolarHBondContact OD1-CA 3.41Å; D253-V264 HydrophobicContact CB-CB 4.17Å; D253-V264 WeakPolarHBondContact CB-O 3.07Å; D253-V264 PolarHBondContact OD1-N 3.04Å
254H96.2Very high95.5Very high125 Ų12576 Ų7658%0.57937%0.371SS*.THydrogen-bonded Turntrans63.217.1-173.5-55.6-78.6000115.8L252 L261 L262L252-H254 PolarHBondContact O-N 2.99Å; H254-L261 WeakPolarHBondContact O-CD2 3.34Å; H254-L262 WeakPolarHBondContact CA-O 3.32Å; H254-L262 PolarHBondContact N-O 3.24Å
255Q95.7Very high95.6Very high88 Ų8870.7 Ų70.741%0.41135%0.35SS..  trans-72.5137.2170.8-170.9171.3-0.100111.3L252 D253 V257 L262L252-Q255 VanDerWaalsContact O-CB 3.31Å; L252-Q255 WeakPolarHBondContact O-CB 3.38Å; L252-Q255 PolarHBondContact O-N 3.49Å; D253-Q255 PolarHBondContact O-N 2.91Å; Q255-V257 HydrophobicContact CG-CG2 4.45Å; Q255-V257 PolarHBondContact O-N 3.32Å; Q255-L262 PolarHBondContact O-N 2.91Å
256M94.5Very high95.6Very high108 Ų10871.7 Ų71.753%0.53235%0.351SS..EExtended strand (participates in β ladder)trans-70.4111.4170.6-75.4-62.7-37.400110.7R260 L261M256-R260 VanDerWaalsContact CE-N 3.34Å; M256-L261 HydrophobicContact CG-CD2 4.03Å; M256-L261 HydrophobicContact SD-CD2 3.48Å; M256-L261 WeakPolarHBondContact SD-CD2 3.42Å; M256-L261 HydrophobicContact SD-CG 3.93Å
257V93Very high95.5Very high23 Ų2371.9 Ų71.914%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-124.9124.8172.7-1730000108.1Y206 F213 Q255 N259 R260 L262Y206-V257 HydrophobicContact CE2-CB 4.34Å; Y206-V257 PolarHBondContact OH-O 3.46Å; F213-V257 HydrophobicContact CE2-CG1 3.54Å; F213-V257 HydrophobicContact CZ-CB 4.43Å; F213-V257 HydrophobicContact CZ-CG1 3.62Å; Q255-V257 HydrophobicContact CG-CG2 4.45Å; Q255-V257 PolarHBondContact O-N 3.32Å; V257-N259 VanDerWaalsContact C-N 3.29Å; V257-N259 PolarHBondContact O-N 2.99Å; V257-R260 PolarHBondContact N-O 2.85Å; V257-R260 PolarHBondContact O-N 3.44Å; V257-L262 HydrophobicContact CG2-CB 4.33Å
258S90.7Very high95.1Very high91 Ų9178.7 Ų78.764%0.63637%0.374SS*.THydrogen-bonded Turntrans44.548.5-176.4-39.50000114.4Y206 R260Y206-S258 VanDerWaalsContact OH-CB 3.32Å; Y206-S258 WeakPolarHBondContact OH-CB 3.42Å; S258-R260 PolarHBondContact O-N 2.87Å
259N93.1Very high94Very high153 Ų15386.2 Ų86.282%0.81840%0.395SS*.THydrogen-bonded Turntrans62.622-179.4-56.5-22.1000115V257V257-N259 VanDerWaalsContact C-N 3.29Å; V257-N259 PolarHBondContact O-N 2.99Å
260R94.5Very high92.3Very high128 Ų12888.1 Ų88.148%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-134150.8172-63.9-177-174-152.64.7110.7Y206 H207 M256 V257 S258Y206-R260 HydrophobicContact CD2-CB 4.46Å; Y206-R260 HydrophobicContact CE2-CB 3.65Å; H207-R260 PolarHBondContact CD2-NH1 3.44Å; M256-R260 VanDerWaalsContact CE-N 3.34Å; V257-R260 PolarHBondContact N-O 2.85Å; V257-R260 PolarHBondContact O-N 3.44Å; S258-R260 PolarHBondContact O-N 2.87Å
261L95.4Very high90.6Very high102 Ų10288.8 Ų88.853%0.53441%0.408SS..EExtended strand (participates in β ladder)trans-79.6124.7176.1-65.8168.1000109.5H254 M256H254-L261 WeakPolarHBondContact O-CD2 3.34Å; M256-L261 HydrophobicContact CG-CD2 4.03Å; M256-L261 HydrophobicContact SD-CD2 3.48Å; M256-L261 WeakPolarHBondContact SD-CD2 3.42Å; M256-L261 HydrophobicContact SD-CG 3.93Å
262L96.6Very high88.7Confident0 Ų087.7 Ų87.70%041%0.405CS..  trans-74132.7169.2-171.863.6000109V204 Y206 V217 L252 H254 Q255 V257 V264V204-L262 HydrophobicContact CG1-CD1 3.52Å; V204-L262 HydrophobicContact CG1-CG 4.3Å; Y206-L262 HydrophobicContact CD2-CD1 3.9Å; Y206-L262 HydrophobicContact CG-CD1 4.05Å; V217-L262 HydrophobicContact CG1-CD2 3.95Å; L252-L262 HydrophobicContact CB-CD2 4.25Å; H254-L262 WeakPolarHBondContact CA-O 3.32Å; H254-L262 PolarHBondContact N-O 3.24Å; Q255-L262 PolarHBondContact O-N 2.91Å; V257-L262 HydrophobicContact CG2-CB 4.33Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.76Å
263R97.1Very high86.9Confident141 Ų14192 Ų9253%0.53243%0.431SS..EExtended strand (participates in β ladder)trans-106.2117.6172.8-179.6176160.4-174.2-3.2109.7V204 G205 D253V204-R263 CarbonylContact C-O 3.5Å; V204-R263 VanDerWaalsContact CA-O 3.31Å; V204-R263 WeakPolarHBondContact CA-O 3.34Å; G205-R263 PolarHBondContact N-O 3.36Å; G205-R263 PolarHBondContact O-N 2.93Å; D253-R263 WeakPolarHBondContact OD1-CA 3.41Å
264V97Very high85.2Confident0 Ų098.1 Ų98.10%046%0.455CS..EExtended strand (participates in β ladder)trans-122.8123.9180-171.80000109.2L202 Y203 F218 L250 L252 D253 L262L202-V264 HydrophobicContact CB-CG1 4.31Å; L202-V264 HydrophobicContact CD1-CG1 4.13Å; Y203-V264 WeakPolarHBondContact O-CA 3.34Å; F218-V264 HydrophobicContact CE1-CG1 4.38Å; F218-V264 HydrophobicContact CZ-CG1 4.28Å; F218-V264 HydrophobicContact CZ-CG2 4.13Å; L250-V264 HydrophobicContact CD1-CG1 4.49Å; L252-V264 HydrophobicContact CB-CG2 4.01Å; D253-V264 HydrophobicContact CB-CB 4.17Å; D253-V264 WeakPolarHBondContact CB-O 3.07Å; D253-V264 PolarHBondContact OD1-N 3.04Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.76Å
265S96.5Very high83.6Confident36 Ų3697.5 Ų97.525%0.25246%0.462SS..EExtended strand (participates in β ladder)trans-146164.9177.857.20000110.6L202 Y203 A267L202-S265 CarbonylContact C-O 3.51Å; L202-S265 WeakPolarHBondContact CA-O 3.21Å; Y203-S265 PolarHBondContact N-O 3.03Å; Y203-S265 PolarHBondContact O-N 3.3Å; S265-A267 PolarHBondContact O-N 3.25Å
266Y96Very high81.5Confident77 Ų77102 Ų10230%0.30248%0.481SS..EExtended strand (participates in β ladder)trans-64.8137.8172.3-73-69.8000111.6H199 L202 A246 Q247 L250 R268H199-Y266 HydrophobicContact CB-CD1 3.62Å; H199-Y266 HydrophobicContact CB-CE1 4.12Å; H199-Y266 HydrophobicContact CB-CG 4.31Å; H199-Y266 VanDerWaalsContact O-CE1 3.24Å; H199-Y266 WeakPolarHBondContact O-CE1 3.37Å; L202-Y266 HydrophobicContact CD2-CD1 3.89Å; L202-Y266 HydrophobicContact CD2-CE1 3.99Å; A246-Y266 HydrophobicContact CB-CE1 4.44Å; Q247-Y266 WeakPolarHBondContact CG-OH 3.28Å; L250-Y266 HydrophobicContact CD1-CD2 4.36Å; L250-Y266 HydrophobicContact CD1-CE2 4.25Å; L250-Y266 HydrophobicContact CD2-CE2 3.97Å; Y266-R268 PolarHBondContact O-N 3.41Å
267A93.7Very high79.7Confident3 Ų3101.4 Ų101.43%0.02549%0.487CS..  trans-65119.5176.400000110.3T201 Y237 S265 R269T201-A267 HydrophobicContact CG2-CB 3.93Å; T201-A267 VanDerWaalsContact O-CB 3.29Å; T201-A267 WeakPolarHBondContact O-CB 3.46Å; T201-A267 PolarHBondContact O-N 3.3Å; Y237-A267 HydrophobicContact CD1-CB 3.95Å; Y237-A267 HydrophobicContact CE1-CB 4.18Å; S265-A267 PolarHBondContact O-N 3.25Å; A267-R269 PolarHBondContact O-N 3.35Å; A267-R269 VanDerWaalsContact O-N 3.12Å
268R87.1Confident78.2Confident244 Ų244105.3 Ų105.392%0.92151%0.513SS*.SBendtrans-56.8-30-179.5-70-174.6173.9-171.7-3113.6Y266Y266-R268 PolarHBondContact O-N 3.41Å
269R73.9Confident76.4Confident208 Ų208106.1 Ų106.179%0.78551%0.514SS*.SBendtrans-117.2111176.5-64.9-176.1-176.2173.71.8107.4A267 F271A267-R269 PolarHBondContact O-N 3.35Å; A267-R269 VanDerWaalsContact O-N 3.12Å; R269-F271 PolarHBondContact O-N 2.98Å; R269-F271 VanDerWaalsContact O-N 3.14Å
270P62.1Low74.4Confident40 Ų40108.1 Ų108.126%0.2652%0.516SS..  trans-59.3122.8166.725.2-30.7000106.7P197 H272P197-P270 HydrophobicContact CG-CB 4.4Å; P197-P270 HydrophobicContact CG-CG 4.37Å; P270-H272 VanDerWaalsContact C-N 3.3Å; P270-H272 PolarHBondContact O-N 3.32Å
271F60.1Low72.5Confident73 Ų73113.3 Ų113.332%0.3254%0.537SS..  trans-67.8101.9167.5-66.1-81.6000105.9T201 Y237 R269 V273T201-F271 HydrophobicContact CG2-CD2 4.29Å; Y237-F271 AromaticContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CZ 4.14Å; Y237-F271 AromaticContact CD2-CE2 3.72Å; Y237-F271 HydrophobicContact CD2-CE2 3.72Å; Y237-F271 AromaticContact CD2-CZ 3.67Å; Y237-F271 HydrophobicContact CD2-CZ 3.67Å; Y237-F271 AromaticContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CZ 4.2Å; Y237-F271 HydrophobicContact CE2-CE2 4.14Å; Y237-F271 AromaticContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CG-CD2 4.46Å; Y237-F271 AromaticContact CG-CE2 3.37Å; Y237-F271 HydrophobicContact CG-CE2 3.37Å; Y237-F271 AromaticContact CG-CZ 3.84Å; Y237-F271 HydrophobicContact CG-CZ 3.84Å; R269-F271 PolarHBondContact O-N 2.98Å; R269-F271 VanDerWaalsContact O-N 3.14Å; F271-V273 PolarHBondContact O-N 3.28Å
272H57.2Low70.5Confident146 Ų146112.1 Ų112.168%0.67654%0.537SS*.  trans-61.994.6165.3-74.7-80.4000106.9P270 K274P270-H272 VanDerWaalsContact C-N 3.3Å; P270-H272 PolarHBondContact O-N 3.32Å; H272-K274 VanDerWaalsContact C-N 3.25Å; H272-K274 PolarHBondContact O-N 3.06Å
273V57.9Low68.8Low93 Ų93117.8 Ų117.856%0.56457%0.574SS**  trans-61.9101.8157.2-176.60000103.5F271 P275F271-V273 PolarHBondContact O-N 3.28Å; V273-P275 VanDerWaalsContact O-CD 3.26Å; V273-P275 WeakPolarHBondContact O-CD 3.5Å
274K61.4Low67Low181 Ų181121.1 Ų121.179%0.78759%0.588SS**  trans-56.3118.8164.5-71.2-175.8179.5-179.20104.6H272 F276H272-K274 VanDerWaalsContact C-N 3.25Å; H272-K274 PolarHBondContact O-N 3.06Å; K274-F276 PolarHBondContact O-N 2.73Å
275P61.4Low64.9Low113 Ų113132.1 Ų132.173%0.73463%0.63SS**  trans-53.9121.4173.922-30.9000105.9V273 S277V273-P275 VanDerWaalsContact O-CD 3.26Å; V273-P275 WeakPolarHBondContact O-CD 3.5Å; P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.26Å
276F52.6Low62.7Low183 Ų183134.9 Ų134.980%0.80365%0.649SS**  trans-63.398.9173.9-179.9-98.6000105.7K274 P278K274-F276 PolarHBondContact O-N 2.73Å; F276-P278 HydrophobicContact CD1-CB 4.38Å; F276-P278 HydrophobicContact CE1-CB 3.85Å; F276-P278 VanDerWaalsContact O-CD 3.25Å; F276-P278 WeakPolarHBondContact O-CD 3.04Å
277S57.5Low60.6Low94 Ų94139.3 Ų139.366%0.65767%0.67SS**  trans-86112.616745.40000106P275 T279P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.26Å; S277-T279 PolarHBondContact O-N 3.2Å
278P59.8Low58.6Low105 Ų105150.6 Ų150.668%0.68271%0.712SS**  trans-70.37.2178.325.2-31.5000113.8F276F276-P278 HydrophobicContact CD1-CB 4.38Å; F276-P278 HydrophobicContact CE1-CB 3.85Å; F276-P278 VanDerWaalsContact O-CD 3.25Å; F276-P278 WeakPolarHBondContact O-CD 3.04Å
279T53.4Low56.7Low109 Ų109145.9 Ų145.967%0.66970%0.698SS**  trans-138.290.5-164.7-40.40000110.8S277S277-T279 PolarHBondContact O-N 3.2Å
280K51.2Low55.5Low195 Ų195142.3 Ų142.385%0.84870%0.7SS**  trans177.6101142-95.1164.4-166.6-169.60107.7S282K280-S282 VanDerWaalsContact C-N 3.29Å; K280-S282 PolarHBondContact O-N 3.34Å
281Y54.1Low54.8Low236 Ų236144.8 Ų144.893%0.92571%0.711SS**  trans-47.2102.1149.3-106.5-103000106.9P283Y281-P283 WeakPolarHBondContact O-CD 3.34Å
282S54.2Low53.9Low77 Ų77147.1 Ų147.154%0.53874%0.736SS.*  trans-93.4110.9165.6174.60000106.4K280 Y284K280-S282 VanDerWaalsContact C-N 3.29Å; K280-S282 PolarHBondContact O-N 3.34Å; S282-Y284 PolarHBondContact O-N 3.05Å; S282-Y284 VanDerWaalsContact O-N 3.09Å; S282-Y284 PolarHBondContact OG-N 3.41Å
283P60.6Low53.2Low120 Ų120144.9 Ų144.978%0.77974%0.736SS**THydrogen-bonded Turntrans-69-0.6176.5-14.229.9000113Y281Y281-P283 WeakPolarHBondContact O-CD 3.34Å
284Y59.5Low52.5Low211 Ų211148.5 Ų148.583%0.82775%0.752SS**THydrogen-bonded Turntrans-110.821.8-175.1-84.9-83.1000114.3S282 S286S282-Y284 PolarHBondContact O-N 3.05Å; S282-Y284 VanDerWaalsContact O-N 3.09Å; S282-Y284 PolarHBondContact OG-N 3.41Å; Y284-S286 PolarHBondContact O-N 3.37Å
285R53Low52Low230 Ų230145 Ų14587%0.86875%0.75SS**  trans-78.274163.8-129.2-178.1-162.1-1434.9109.6F287R285-F287 PolarHBondContact O-N 2.68Å; R285-F287 VanDerWaalsContact O-N 3.08Å
286S50.8Low51.4Low95 Ų95146.7 Ų146.766%0.66475%0.753SS**  trans-50.8113.7165.9-174.70000109.1Y284 R288Y284-S286 PolarHBondContact O-N 3.37Å; S286-R288 PolarHBondContact O-N 2.86Å; S286-R288 VanDerWaalsContact O-N 3.1Å
287F51.6Low51.3Low169 Ų169146.9 Ų146.974%0.74176%0.756SS**  trans7.987.9153.3-57.4-87.9000115.8R285 K289R285-F287 PolarHBondContact O-N 2.68Å; R285-F287 VanDerWaalsContact O-N 3.08Å; F287-K289 HydrophobicContact CD1-CD 4.37Å; F287-K289 HydrophobicContact CD1-CG 4.45Å
288R51.5Low51Low241 Ų241151.3 Ų151.391%0.90977%0.767SS**  trans-102.776.5134.8-69.5-162.1-167.5-154.93.6107.1S286 T290S286-R288 PolarHBondContact O-N 2.86Å; S286-R288 VanDerWaalsContact O-N 3.1Å; R288-T290 PolarHBondContact O-N 3.31Å
289K47.2Very low50.5Low144 Ų144152.8 Ų152.863%0.62678%0.777SS**  trans-63.3106.9154.4-93.4-179.8161.1-140.90106.4F287 D291F287-K289 HydrophobicContact CD1-CD 4.37Å; F287-K289 HydrophobicContact CD1-CG 4.45Å; K289-D291 HydrophobicContact CB-CB 4.26Å; K289-D291 WeakPolarHBondContact CD-OD2 3.47Å; K289-D291 WeakPolarHBondContact CE-OD2 3.27Å; K289-D291 IonicContact NZ-OD2 2.8Å; K289-D291 PolarHBondContact NZ-OD2 3.11Å; K289-D291 PolarHBondContact O-N 3.08Å; K289-D291 VanDerWaalsContact O-N 3.1Å
290T49.2Very low50.3Low133 Ų133152.9 Ų152.982%0.81678%0.781SS**  trans-75.567.9147.346.30000107R288R288-T290 PolarHBondContact O-N 3.31Å
291D45.8Very low50.3Low93 Ų93150.9 Ų150.950%0.49778%0.78SS.*  trans-108.172.8156.3-69-23.6000104.1K289 C293K289-D291 HydrophobicContact CB-CB 4.26Å; K289-D291 WeakPolarHBondContact CD-OD2 3.47Å; K289-D291 WeakPolarHBondContact CE-OD2 3.27Å; K289-D291 IonicContact NZ-OD2 2.8Å; K289-D291 PolarHBondContact NZ-OD2 3.11Å; K289-D291 PolarHBondContact O-N 3.08Å; K289-D291 VanDerWaalsContact O-N 3.1Å; D291-C293 PolarHBondContact O-N 3.25Å; D291-C293 VanDerWaalsContact O-N 3.08Å
292S41.8Very low50.1Low121 Ų121149.3 Ų149.385%0.84678%0.778SS**  trans-76.887.2152.651.30000105N294S292-N294 PolarHBondContact O-N 2.87Å
293C42.9Very low49.8Very low99 Ų99153.3 Ų153.367%0.66979%0.792SS**  trans-46.2133.7165.1-56.70000109.1D291 S295D291-C293 PolarHBondContact O-N 3.25Å; D291-C293 VanDerWaalsContact O-N 3.08Å; C293-S295 PolarHBondContact O-N 3.41Å; C293-S295 VanDerWaalsContact O-N 3.13Å
294N43.2Very low49.3Very low170 Ų170153.1 Ų153.191%0.90979%0.793SS**  trans-46.6114.1144.4-101.4-19.1000108.5S292S292-N294 PolarHBondContact O-N 2.87Å
295S50.2Low48.8Very low106 Ų106148.1 Ų148.174%0.74179%0.788SS**  trans-141.3124.5147.754.80000107.4C293C293-S295 PolarHBondContact O-N 3.41Å; C293-S295 VanDerWaalsContact O-N 3.13Å
296N50.1Low48.4Very low150 Ų150146.5 Ų146.580%0.80279%0.79SS**  trans-52.8154.8167-61.1-52.8000110.4
297E50.1Low48.6Very low186 Ų186148.6 Ų148.687%0.86979%0.793SS**SBendtrans89.6109.9161.4-58.4179.9173.100117.6
298E49.9Very low48.7Very low188 Ų188148 Ų14888%0.87980%0.798SS**  trans59110.3160.3-71-167.8128.400121.5
299P49.5Very low49.3Very low136 Ų136146.8 Ų146.888%0.88379%0.793SS**  trans-103.5104.9156.133.3-23.2000111.3
300S50.7Low50.4Low110 Ų110147.1 Ų147.177%0.76980%0.802SS**  trans-76.9122.2161.5540000111.1
301N49.7Very low51.4Low153 Ų153148.5 Ų148.582%0.81880%0.803SS**  trans34114.2147.9-71.4-24.3000120.3
302K50.8Low52.7Low204 Ų204149.2 Ų149.289%0.88781%0.811SS**  163.494.7115.7-88.8171.9-177.6-177.20109.5
303I46.8Very low54.4Low161 Ų161146.9 Ų146.983%0.82679%0.792SS**  trans-109.2104.7156.3-66.2170.7000105.5C305I303-C305 HydrophobicContact CG2-CB 4.46Å
304S50.5Low55.7Low116 Ų116151.7 Ų151.781%0.81180%0.797SS**  trans-82.9101.1161.753.20000107.7
305C49.5Very low57.2Low105 Ų105151.2 Ų151.271%0.70979%0.789SS**  trans-139.9115.7155.8-71.30000105I303 L307I303-C305 HydrophobicContact CG2-CB 4.46Å; C305-L307 PolarHBondContact O-N 3.45Å
306E45.9Very low58.3Low196 Ų196151.6 Ų151.692%0.91678%0.783SS**  trans-50.6118.3-168.5-63.4167.3159.200112.3
307L54Low59.3Low140 Ų140150.1 Ų150.173%0.73378%0.775SS**  trans-133.9100.5163.5-110.7158.6000104.7C305 R309C305-L307 PolarHBondContact O-N 3.45Å; L307-R309 PolarHBondContact O-N 3.05Å
308N53.1Low60.5Low157 Ų157150.5 Ų150.584%0.8477%0.77SS**  trans-56.4102.5169.6-69.1-42.8000108.1
309R64.3Low61.5Low215 Ų215146.2 Ų146.281%0.81176%0.76SS**  trans-132.699.9164.6-79.3-171.6169.6170.9-2.6105.8L307 L311L307-R309 PolarHBondContact O-N 3.05Å; R309-L311 PolarHBondContact O-N 3.25Å
310D70.9Confident62.6Low151 Ų151147.9 Ų147.981%0.80776%0.761SS**  trans-55.4132.7176.4-62.6-40.8000109.8V312D310-V312 PolarHBondContact O-N 3.14Å
311L70.8Confident63.2Low161 Ų161155.7 Ų155.784%0.84378%0.782SS**  trans-71112.1173.5-128.197.9000107.5R309R309-L311 PolarHBondContact O-N 3.25Å
312V72.2Confident63.8Low109 Ų109155.8 Ų155.866%0.66178%0.78SS**  trans-82.1116.3169.8179.30000108D310D310-V312 PolarHBondContact O-N 3.14Å
313T77.5Confident64.5Low72 Ų72153.3 Ų153.344%0.44277%0.774SS.*  trans-85.5146.7174320000111E315 D316T313-E315 PolarHBondContact O-N 3.09Å; T313-D316 PolarHBondContact O-N 3.42Å
314Y70.1Confident65.5Low199 Ų199152.8 Ų152.878%0.7877%0.771SS**G310 helixtrans-58.4-18-175.3-103-91.8000114.8D316 L317Y314-D316 VanDerWaalsContact C-N 3.3Å; Y314-L317 PolarHBondContact O-N 2.91Å
315E74.2Confident66.4Low160 Ų160155 Ų15575%0.74877%0.769SS**G310 helixtrans-72.1-23.5178.5-69.1163.9176.200112.5T313 L317T313-E315 PolarHBondContact O-N 3.09Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 3.37Å
316D74.5Confident67.4Low114 Ų114158.1 Ų158.161%0.6177%0.773SS**G310 helixtrans-76-12177.4-71.4-30.6000113.3T313 Y314T313-D316 PolarHBondContact O-N 3.42Å; Y314-D316 VanDerWaalsContact C-N 3.3Å
317L70.9Confident68.9Low119 Ų119155.6 Ų155.662%0.62376%0.763SS**G310 helixtrans-88.4-5.5-178.4-69.2174.3000114.4Y314 E315Y314-L317 PolarHBondContact O-N 2.91Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 3.37Å
318Y75.5Confident69.9Low195 Ų195156.7 Ų156.777%0.76577%0.765SS**SBendtrans-126.512.5-173.1-82.1-79.5000115.4
319S70.4Confident71.2Confident97 Ų97156.7 Ų156.768%0.67876%0.76SS**  trans-88.74.2-176.3-69.30000115.8
320D72.3Confident71.8Confident171 Ų171151.8 Ų151.891%0.91476%0.755SS**  trans-9998168.3-77.3-23.8000110.3
321K62.5Low71.9Confident274 Ų274151.9 Ų151.9100%1.19175%0.75SS**  trans-124.90157-86.3-170.2178.6-179.90108.8

Retrieved 321 of 321 residues in 72.9 ms (Link to these results)