A0A5K4FA68_SCHMA Loading...

Splicing factor YJU2

Part of the spliceosome which catalyzes two sequential transesterification reactions, first the excision of the non-coding intron from pre-mRNA and then the ligation of the coding exons to form the mature mRNA. Plays a role in stabilizing the structure of the spliceosome catalytic core and docking of the branch helix into the active site, producing 5'-exon and lariat intron-3'-intermediates.

AlphaFold DB , UniProt , Accession A0A5K4FA68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.4Confident91Very high241 Ų241154.9 Ų154.9100%1.18772%0.722SS**  0127.80-117.484.9178.900107.9
2T89.1Confident91.4Very high122 Ų122147.5 Ų147.575%0.74870%0.698SS**  trans-60.3147.1164.7-52.20000109.7V6T2-V6 HydrophobicContact CG2-CG2 3.56Å
3E93.4Very high91.6Very high112 Ų112144.9 Ų144.952%0.52370%0.701SS.*  trans-67.1149179.959.7-176.6176.300112.6K5 V6 L7E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.49Å; E3-V6 HydrophobicContact CG-CB 4.2Å; E3-V6 HydrophobicContact CG-CG2 3.77Å; E3-V6 WeakPolarHBondContact O-CG2 3.25Å; E3-V6 VanDerWaalsContact OE1-CA 3.28Å; E3-V6 WeakPolarHBondContact OE1-CA 3.19Å; E3-L7 PolarHBondContact OE1-N 2.98Å
4R92.7Very high91.8Very high248 Ų248144.6 Ų144.694%0.93671%0.705SS**SBendtrans-63.7-36.8176.9179.2-176.3-72.5169.5-1.4111.8
5K94.2Very high91.9Very high176 Ų176141.7 Ų141.777%0.76568%0.684SS**SBendtrans-110.570.9-178.4-67.1-176.1179.1-179.80109.6E3 L7E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.49Å; K5-L7 PolarHBondContact O-N 2.86Å
6V92.9Very high91.9Very high47 Ų47137.5 Ų137.529%0.28567%0.666SS.*  trans-63.5116179.9-1730000110.4T2 E3 N8 K9T2-V6 HydrophobicContact CG2-CG2 3.56Å; E3-V6 HydrophobicContact CG-CB 4.2Å; E3-V6 HydrophobicContact CG-CG2 3.77Å; E3-V6 WeakPolarHBondContact O-CG2 3.25Å; E3-V6 VanDerWaalsContact OE1-CA 3.28Å; E3-V6 WeakPolarHBondContact OE1-CA 3.19Å; V6-N8 WeakPolarHBondContact CG1-O 3.37Å; V6-K9 HydrophobicContact CG1-CG 4.15Å
7L92Very high91.8Very high153 Ų153134.4 Ų134.480%0.80166%0.659SS**SBendtrans-66.5-53.3177.3-71.4176000110.7E3 K5E3-L7 PolarHBondContact OE1-N 2.98Å; K5-L7 PolarHBondContact O-N 2.86Å
8N92.6Very high91.7Very high145 Ų145133.4 Ų133.478%0.77567%0.668SS**  trans-118.8127-174.9-65.6-8.5000110.7V6V6-N8 WeakPolarHBondContact CG1-O 3.37Å
9K94Very high91.6Very high143 Ų143134.7 Ų134.762%0.62267%0.669SS**  trans-104.9132.5169.9-67.4150.5-171.5173.40107.2V6 F11V6-K9 HydrophobicContact CG1-CG 4.15Å; K9-F11 VanDerWaalsContact O-CD2 3.25Å; K9-F11 WeakPolarHBondContact O-CD2 3.45Å; K9-F11 WeakPolarHBondContact O-CE2 3.35Å; K9-F11 PolarHBondContact O-N 3.08Å
10Y94.1Very high91.4Very high195 Ų195132.2 Ų132.277%0.76566%0.657SS**PPolyproline II helixtrans-65.9124.1173.8176-100.7000109.4
11F94.4Very high91.2Very high122 Ų122131.7 Ų131.754%0.53566%0.663SS.*PPolyproline II helixtrans-102.3133.2168.4-64.3-85.4000107.9K9 Y15K9-F11 VanDerWaalsContact O-CD2 3.25Å; K9-F11 WeakPolarHBondContact O-CD2 3.45Å; K9-F11 WeakPolarHBondContact O-CE2 3.35Å; K9-F11 PolarHBondContact O-N 3.08Å; F11-Y15 HydrophobicContact CB-CD1 4.41Å; F11-Y15 HydrophobicContact CB-CG 4.4Å; F11-Y15 AromaticContact CD1-CD1 3.81Å; F11-Y15 HydrophobicContact CD1-CD1 3.81Å; F11-Y15 HydrophobicContact CD1-CD2 4.32Å; F11-Y15 AromaticContact CD1-CE1 3.79Å; F11-Y15 HydrophobicContact CD1-CE1 3.79Å; F11-Y15 HydrophobicContact CD1-CE2 4.28Å; F11-Y15 HydrophobicContact CD1-CG 4.1Å; F11-Y15 HydrophobicContact CE1-CE1 4.07Å; F11-Y15 HydrophobicContact CG-CD1 4.4Å
12P95.6Very high91.8Very high66 Ų66131.1 Ų131.143%0.42965%0.648SS.*PPolyproline II helixtrans-63.1150.1175.925.9-30.8000110.2D14 Y15P12-D14 PolarHBondContact O-N 2.87Å; P12-D14 VanDerWaalsContact O-N 3.09Å; P12-Y15 WeakPolarHBondContact O-CB 3.32Å; P12-Y15 PolarHBondContact O-N 3.08Å
13P94.1Very high91.3Very high114 Ų114132.3 Ų132.374%0.7465%0.649SS**THydrogen-bonded Turntrans-59.4-24.3-176.623.3-34.1000113.7Y15P13-Y15 VanDerWaalsContact C-N 3.33Å
14D94.4Very high90.2Very high141 Ų141137.9 Ų137.975%0.75467%0.665SS**THydrogen-bonded Turntrans-88.78178.6-51.9-41.4000113.8P12 D16P12-D14 PolarHBondContact O-N 2.87Å; P12-D14 VanDerWaalsContact O-N 3.09Å; D14-D16 PolarHBondContact O-N 3.23Å
15Y93Very high88.8Confident101 Ų101137 Ų13740%0.39666%0.662SS.*  trans-73109.4-175.5-179.6-98000112.6F11 P12 P13 P17 I20F11-Y15 HydrophobicContact CB-CD1 4.41Å; F11-Y15 HydrophobicContact CB-CG 4.4Å; F11-Y15 AromaticContact CD1-CD1 3.81Å; F11-Y15 HydrophobicContact CD1-CD1 3.81Å; F11-Y15 HydrophobicContact CD1-CD2 4.32Å; F11-Y15 AromaticContact CD1-CE1 3.79Å; F11-Y15 HydrophobicContact CD1-CE1 3.79Å; F11-Y15 HydrophobicContact CD1-CE2 4.28Å; F11-Y15 HydrophobicContact CD1-CG 4.1Å; F11-Y15 HydrophobicContact CE1-CE1 4.07Å; F11-Y15 HydrophobicContact CG-CD1 4.4Å; P12-Y15 WeakPolarHBondContact O-CB 3.32Å; P12-Y15 PolarHBondContact O-N 3.08Å; P13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-P17 HydrophobicContact CE1-CB 4.34Å; Y15-I20 HydrophobicContact CD2-CD1 4.39Å; Y15-I20 HydrophobicContact CE2-CD1 3.4Å; Y15-I20 VanDerWaalsContact CE2-CD1 3.4Å; Y15-I20 WeakPolarHBondContact OH-CD1 3.36Å
16D92.7Very high87.3Confident74 Ų74131.4 Ų131.440%0.39665%0.654SS.*  trans-109.5118.7169.7-72.4-38.6000111.5D14 S18 K19D14-D16 PolarHBondContact O-N 3.23Å; D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 VanDerWaalsContact O-N 3.15Å; D16-K19 HydrophobicContact CB-CB 4.31Å; D16-K19 HydrophobicContact CB-CD 3.85Å; D16-K19 HydrophobicContact CB-CG 3.87Å; D16-K19 PolarHBondContact O-N 2.93Å; D16-K19 VanDerWaalsContact O-N 3.15Å; D16-K19 WeakPolarHBondContact OD2-CE 3.31Å; D16-K19 IonicContact OD2-NZ 3.61Å; D16-K19 PolarHBondContact OD2-NZ 3.35Å
17P90.5Very high86.1Confident85 Ų85135 Ų13555%0.55267%0.672SS**G310 helixtrans-64.3-23.2-178.426.4-34.7000113.2Y15Y15-P17 HydrophobicContact CE1-CB 4.34Å
18S90.2Very high85Confident117 Ų117136.7 Ų136.782%0.81867%0.668SS**G310 helixtrans-75.7-23.4179.1-57.70000113.6D16 I20D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 VanDerWaalsContact O-N 3.15Å; S18-I20 VanDerWaalsContact C-N 3.32Å
19K89.6Confident84Confident157 Ų157138.1 Ų138.168%0.68366%0.662SS**G310 helixtrans-82.1-9.9-178.1-66.9-179.3-177.7157.10113.1D16 P21D16-K19 HydrophobicContact CB-CB 4.31Å; D16-K19 HydrophobicContact CB-CD 3.85Å; D16-K19 HydrophobicContact CB-CG 3.87Å; D16-K19 PolarHBondContact O-N 2.93Å; D16-K19 VanDerWaalsContact O-N 3.15Å; D16-K19 WeakPolarHBondContact OD2-CE 3.31Å; D16-K19 IonicContact OD2-NZ 3.61Å; D16-K19 PolarHBondContact OD2-NZ 3.35Å; K19-P21 WeakPolarHBondContact O-CD 3.45Å
20I87.5Confident83.6Confident84 Ų84135.6 Ų135.643%0.43165%0.651SS.*SBendtrans-84.4117.7-174-57.9171.1000110.1Y15 S18 R22Y15-I20 HydrophobicContact CD2-CD1 4.39Å; Y15-I20 HydrophobicContact CE2-CD1 3.4Å; Y15-I20 VanDerWaalsContact CE2-CD1 3.4Å; Y15-I20 WeakPolarHBondContact OH-CD1 3.36Å; S18-I20 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.89Å; I20-R22 VanDerWaalsContact O-N 3.15Å
21P87.7Confident83.4Confident122 Ų122130.8 Ų130.879%0.79264%0.636SS**  trans-65.7118.3175.926.7-32.6000109.7K19 L23K19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-L23 PolarHBondContact O-N 3.47Å
22R82.9Confident83.3Confident229 Ų229129.6 Ų129.686%0.86463%0.63SS**  trans-77113.3171.5-63.7-176.3-177.5-179.81.3108.2I20 R24I20-R22 PolarHBondContact O-N 2.89Å; I20-R22 VanDerWaalsContact O-N 3.15Å; R22-R24 PolarHBondContact O-N 3.44Å
23L79.9Confident83.3Confident148 Ų148133.1 Ų133.178%0.77565%0.646SS**  trans-53.2118171.6-175.963.9000108.8P21 R25P21-L23 PolarHBondContact O-N 3.47Å; L23-R25 PolarHBondContact O-N 3.39Å
24R69.1Low83.4Confident228 Ų228130.9 Ų130.986%0.8663%0.627SS**  trans-60110.3-177.1-72.9-166.8174.8-162.20.3108.8R22 G26R22-R24 PolarHBondContact O-N 3.44Å; R24-G26 PolarHBondContact O-N 2.96Å; R24-G26 VanDerWaalsContact O-N 3.14Å
25R63.9Low83.5Confident230 Ų230132.7 Ų132.787%0.86862%0.623SS**THydrogen-bonded Turntrans-7813.7178.4-58.4-175.4-177.6175.70.2112.8L23L23-R25 PolarHBondContact O-N 3.39Å
26G61.5Low83.6Confident58 Ų58129.1 Ų129.160%0.59861%0.612SS**THydrogen-bonded Turntrans-87.3-7.8-165.400000115.6R24 R28R24-G26 PolarHBondContact O-N 2.96Å; R24-G26 VanDerWaalsContact O-N 3.14Å; G26-R28 PolarHBondContact O-N 3.24Å
27D69Low83.8Confident122 Ų122130.8 Ų130.865%0.65262%0.619SS**  trans-71.2102.2178.9-64.6-17.5000108.7R29 K30D27-R29 PolarHBondContact O-N 2.83Å; D27-K30 VanDerWaalsContact O-CB 3.32Å; D27-K30 WeakPolarHBondContact O-CB 3.45Å; D27-K30 PolarHBondContact O-N 3.39Å
28R67.7Low84.1Confident190 Ų190126.8 Ų126.872%0.71759%0.593SS**THydrogen-bonded Turntrans-53.7-19.4177.1-64.1-178.3-177.9176.4-1112.5G26G26-R28 PolarHBondContact O-N 3.24Å
29R72.7Confident84.3Confident175 Ų175122.7 Ų122.766%0.6656%0.563SS**THydrogen-bonded Turntrans-87.75.8177.9-62.1-174.5173.8-149.8-11.2114.5D27 Q31 E65D27-R29 PolarHBondContact O-N 2.83Å; R29-Q31 PolarHBondContact O-N 2.81Å; R29-E65 WeakPolarHBondContact CG-OE1 3.44Å; R29-E65 IonicContact CZ-OE1 2.97Å; R29-E65 IonicContact CZ-OE2 2.86Å; R29-E65 IonicContact NE-OE1 2.64Å; R29-E65 PolarHBondContact NE-OE1 3.25Å; R29-E65 IonicContact NE-OE2 3.17Å; R29-E65 VanDerWaalsContact NH2-CD 3.33Å; R29-E65 IonicContact NH2-OE1 2.69Å; R29-E65 PolarHBondContact NH2-OE1 2.98Å; R29-E65 IonicContact NH2-OE2 3.99Å; R29-E65 PolarHBondContact NH2-OE2 2.72Å
30K85.1Confident84.4Confident90 Ų90115.8 Ų115.839%0.39153%0.533SS..  trans-66.8121.3-179.2-175.2169.6179175.70110.7D27 F32D27-K30 VanDerWaalsContact O-CB 3.32Å; D27-K30 WeakPolarHBondContact O-CB 3.45Å; D27-K30 PolarHBondContact O-N 3.39Å; K30-F32 HydrophobicContact CB-CE2 4.17Å; K30-F32 HydrophobicContact CB-CZ 4.34Å; K30-F32 HydrophobicContact CD-CE1 3.9Å; K30-F32 HydrophobicContact CD-CE2 4.28Å; K30-F32 HydrophobicContact CD-CZ 3.64Å; K30-F32 HydrophobicContact CG-CE1 4.28Å; K30-F32 HydrophobicContact CG-CE2 4.03Å; K30-F32 HydrophobicContact CG-CZ 3.9Å; K30-F32 WeakPolarHBondContact O-CD2 3.31Å
31Q90.4Very high84.7Confident94 Ų94114 Ų11444%0.43952%0.524SS..  trans-80.4132.7171.5-60-176.9100110.1R29 M61 E62R29-Q31 PolarHBondContact O-N 2.81Å; Q31-M61 WeakPolarHBondContact CA-O 3.37Å; Q31-E62 HydrophobicContact CB-CG 4.4Å; Q31-E62 HydrophobicContact CG-CG 3.6Å; Q31-E62 WeakPolarHBondContact CG-OE1 3.27Å; Q31-E62 PolarHBondContact NE2-OE1 3.34Å
32F91.3Very high85.1Confident96 Ų96108.1 Ų108.142%0.42149%0.487SS..EExtended strand (participates in β ladder)trans-113.7135172.1-63.2-85.8000110.2K30 I34 R60 M61K30-F32 HydrophobicContact CB-CE2 4.17Å; K30-F32 HydrophobicContact CB-CZ 4.34Å; K30-F32 HydrophobicContact CD-CE1 3.9Å; K30-F32 HydrophobicContact CD-CE2 4.28Å; K30-F32 HydrophobicContact CD-CZ 3.64Å; K30-F32 HydrophobicContact CG-CE1 4.28Å; K30-F32 HydrophobicContact CG-CE2 4.03Å; K30-F32 HydrophobicContact CG-CZ 3.9Å; K30-F32 WeakPolarHBondContact O-CD2 3.31Å; F32-I34 HydrophobicContact CB-CD1 4.41Å; F32-I34 HydrophobicContact CB-CG1 4.29Å; F32-R60 CarbonylContact O-C 3.45Å; F32-R60 WeakPolarHBondContact O-CA 3.26Å; F32-M61 HydrophobicContact CD2-CE 4.21Å; F32-M61 PolarHBondContact N-O 2.74Å; F32-M61 PolarHBondContact O-N 2.89Å
33N95.6Very high85.7Confident140 Ų140101.9 Ų101.975%0.74946%0.463SS*.EExtended strand (participates in β ladder)trans-84.1118.9171.9-66.6-23.2000109.1S59 R60N33-S59 CarbonylContact C-O 3.54Å; N33-S59 WeakPolarHBondContact CA-O 3.47Å; N33-R60 WeakPolarHBondContact OD1-CG 3.43Å
34I96.1Very high86.5Confident67 Ų6794.9 Ų94.934%0.34443%0.426SS..EExtended strand (participates in β ladder)trans-131.4140.5-179.2-57.9-179.8000108.8F32 T36 S59 M61F32-I34 HydrophobicContact CB-CD1 4.41Å; F32-I34 HydrophobicContact CB-CG1 4.29Å; I34-T36 HydrophobicContact CB-CG2 4.36Å; I34-T36 HydrophobicContact CG2-CG2 3.84Å; I34-T36 PolarHBondContact O-N 3.23Å; I34-S59 PolarHBondContact N-O 3.03Å; I34-S59 WeakPolarHBondContact O-CA 3.4Å; I34-S59 PolarHBondContact O-N 2.82Å; I34-S59 PolarHBondContact O-OG 3.08Å; I34-M61 HydrophobicContact CD1-CB 3.88Å; I34-M61 HydrophobicContact CD1-CE 3.75Å; I34-M61 HydrophobicContact CD1-CG 4.3Å; I34-M61 HydrophobicContact CD1-SD 3.46Å; I34-M61 WeakPolarHBondContact CD1-SD 3.48Å; I34-M61 HydrophobicContact CG1-CB 4.38Å
35R96.5Very high87.8Confident179 Ų17987.5 Ų87.568%0.67540%0.404SS*.EExtended strand (participates in β ladder)trans-82.9113.7170.5-166.7174-172.2175.23109.4F57R35-F57 CarbonylContact C-O 3.52Å; R35-F57 VanDerWaalsContact CA-O 3.32Å; R35-F57 WeakPolarHBondContact CA-O 3.25Å
36T95.9Very high89.3Confident27 Ų2781 Ų8117%0.16639%0.39CS..EExtended strand (participates in β ladder)trans-122.6168.6-178.4570000111.1I34 K56 F57 S59 F77I34-T36 HydrophobicContact CB-CG2 4.36Å; I34-T36 HydrophobicContact CG2-CG2 3.84Å; I34-T36 PolarHBondContact O-N 3.23Å; T36-K56 CarbonylContact O-C 3.58Å; T36-K56 WeakPolarHBondContact O-CA 3.32Å; T36-F57 PolarHBondContact N-O 2.94Å; T36-F57 PolarHBondContact O-N 3.33Å; T36-S59 VanDerWaalsContact CG2-OG 3.29Å; T36-S59 WeakPolarHBondContact CG2-OG 3.5Å; T36-S59 VanDerWaalsContact OG1-CB 3.25Å; T36-S59 WeakPolarHBondContact OG1-CB 3.31Å; T36-S59 PolarHBondContact OG1-OG 3.39Å; T36-F77 HydrophobicContact CG2-CD1 4Å; T36-F77 HydrophobicContact CG2-CE1 3.81Å
37M97.2Very high91Very high109 Ų10980.4 Ų80.454%0.53738%0.376SS..EExtended strand (participates in β ladder)trans-111.2148173.2-69.3-174.4-62.100109.7P39 A54 K55 K56M37-P39 WeakPolarHBondContact O-CD 3.48Å; M37-A54 HydrophobicContact SD-CB 4.37Å; M37-K55 CarbonylContact C-O 3.55Å; M37-K55 WeakPolarHBondContact CA-O 3.48Å; M37-K56 HydrophobicContact CG-CG 3.85Å; M37-K56 HydrophobicContact SD-CG 4.38Å
38A95.5Very high92.2Very high1 Ų178.5 Ų78.51%0.00837%0.366CS..  trans-64.4121.9171.200000110.5M42 I51 A54 K55 F57 W90A38-M42 HydrophobicContact CB-CE 4.15Å; A38-I51 HydrophobicContact CB-CG2 3.9Å; A38-A54 PolarHBondContact O-N 3.46Å; A38-K55 PolarHBondContact N-O 3.45Å; A38-F57 HydrophobicContact CB-CE2 4.17Å; A38-W90 HydrophobicContact CB-CH2 4.44Å
39P94.5Very high93.5Very high30 Ų3070 Ų7020%0.19534%0.337CS..  trans-76.5-26.9-172.918.5-19.1000113.9M37 K53 Y99M37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-K53 WeakPolarHBondContact O-CE 3.32Å; P39-Y99 HydrophobicContact CB-CD2 3.39Å; P39-Y99 HydrophobicContact CB-CE2 3.53Å; P39-Y99 HydrophobicContact CB-CG 4.1Å; P39-Y99 HydrophobicContact CG-CD1 4.14Å; P39-Y99 HydrophobicContact CG-CD2 3.5Å; P39-Y99 VanDerWaalsContact CG-CD2 3.5Å; P39-Y99 HydrophobicContact CG-CE1 4.44Å; P39-Y99 HydrophobicContact CG-CE2 3.87Å; P39-Y99 HydrophobicContact CG-CG 3.66Å
40F93Very high94.6Very high12 Ų1267 Ų675%0.05333%0.326CS..SBendtrans-140.2164.6-17752.2-89.7000110.8M42 W90 L101 R107F40-M42 HydrophobicContact CD2-CB 4.11Å; F40-M42 HydrophobicContact CD2-CE 3.93Å; F40-M42 HydrophobicContact CE1-CE 4.36Å; F40-M42 HydrophobicContact CE2-CB 3.89Å; F40-M42 HydrophobicContact CE2-CE 3.52Å; F40-M42 HydrophobicContact CE2-SD 4.33Å; F40-M42 HydrophobicContact CZ-CE 3.78Å; F40-W90 HydrophobicContact CZ-CB 4.49Å; F40-L101 HydrophobicContact CE2-CD1 3.76Å; F40-L101 HydrophobicContact CZ-CB 4.14Å; F40-L101 HydrophobicContact CZ-CD1 3.88Å; F40-R107 VanDerWaalsContact CD1-NE 3.32Å; F40-R107 HydrophobicContact CD2-CG 3.63Å; F40-R107 HydrophobicContact CE2-CG 3.52Å; F40-R107 HydrophobicContact CG-CG 4.48Å; F40-R107 HydrophobicContact CZ-CG 4.32Å; F40-R107 VanDerWaalsContact CZ-NE 3.28Å
41N94.3Very high95.1Very high46 Ų4662.8 Ų62.825%0.24631%0.308CS..  trans-72.3127.4174.6-60.9-47.4000110.1K53 N108N41-K53 WeakPolarHBondContact OD1-CB 3.29Å; N41-K53 PolarHBondContact OD1-N 2.82Å; N41-N108 HydrophobicContact CB-CB 4.18Å; N41-N108 PolarHBondContact O-N 3.35Å; N41-N108 VanDerWaalsContact O-N 3.14Å
42M94.8Very high95.3Very high0 Ų065.9 Ų65.90%032%0.317CS..EExtended strand (participates in β ladder)trans-137.6152-179.667.1-172.980.600112.3A38 F40 I51 I79 I88 W90 L101 A105 K106A38-M42 HydrophobicContact CB-CE 4.15Å; F40-M42 HydrophobicContact CD2-CB 4.11Å; F40-M42 HydrophobicContact CD2-CE 3.93Å; F40-M42 HydrophobicContact CE1-CE 4.36Å; F40-M42 HydrophobicContact CE2-CB 3.89Å; F40-M42 HydrophobicContact CE2-CE 3.52Å; F40-M42 HydrophobicContact CE2-SD 4.33Å; F40-M42 HydrophobicContact CZ-CE 3.78Å; M42-I51 HydrophobicContact CG-CB 3.71Å; M42-I51 HydrophobicContact CG-CD1 4.29Å; M42-I51 HydrophobicContact CG-CG1 4.47Å; M42-I51 HydrophobicContact CG-CG2 4.17Å; M42-I51 PolarHBondContact N-O 3.47Å; M42-I51 PolarHBondContact O-N 2.88Å; M42-I51 HydrophobicContact SD-CD1 4.36Å; M42-I79 HydrophobicContact SD-CD1 4.49Å; M42-I88 HydrophobicContact SD-CD1 4.38Å; M42-I88 HydrophobicContact SD-CG2 3.94Å; M42-W90 HydrophobicContact CE-CE3 3.8Å; M42-W90 HydrophobicContact CE-CH2 4.16Å; M42-W90 HydrophobicContact CE-CZ3 3.43Å; M42-W90 VanDerWaalsContact CE-CZ3 3.43Å; M42-W90 HydrophobicContact SD-CE3 4.17Å; M42-W90 HydrophobicContact SD-CZ3 3.77Å; M42-L101 HydrophobicContact SD-CD1 4.45Å; M42-A105 HydrophobicContact CB-CB 4.08Å; M42-A105 HydrophobicContact CG-CB 4.21Å; M42-A105 HydrophobicContact SD-CB 4.16Å; M42-K106 CarbonylContact C-O 3.37Å; M42-K106 VanDerWaalsContact CA-O 3.27Å; M42-K106 WeakPolarHBondContact CA-O 3.38Å
43R95.4Very high95.5Very high98 Ų9868 Ų6837%0.3733%0.326SS..EExtended strand (participates in β ladder)trans-113124.5175.1-176-179.7176.2-176.1-2.5109.4N48 Y50 A105 K106R43-N48 PolarHBondContact NE-OD1 3.34Å; R43-N48 PolarHBondContact NH2-OD1 3.12Å; R43-Y50 HydrophobicContact CB-CD1 4.05Å; R43-Y50 HydrophobicContact CB-CE1 3.94Å; R43-Y50 HydrophobicContact CG-CD1 4.23Å; R43-Y50 HydrophobicContact CG-CE1 3.94Å; R43-A105 CarbonylContact O-C 3.58Å; R43-A105 WeakPolarHBondContact O-CA 3.49Å; R43-A105 VanDerWaalsContact O-CB 3.22Å; R43-A105 WeakPolarHBondContact O-CB 3.4Å; R43-K106 PolarHBondContact N-O 3.21Å; R43-K106 PolarHBondContact O-N 3.4Å
44C96.9Very high95.5Very high0 Ų064 Ų640%031%0.312CS..EExtended strand (participates in β ladder)trans-67.1136179.2-174.10000111T46 N48 G49 I88C44-T46 PolarHBondContact O-N 2.97Å; C44-T46 PolarHBondContact SG-OG1 2.95Å; C44-N48 WeakPolarHBondContact O-CA 3.33Å; C44-N48 PolarHBondContact O-N 3.39Å; C44-G49 PolarHBondContact N-O 2.96Å; C44-I88 HydrophobicContact CB-CD1 4.46Å
45N95.7Very high95.5Very high73 Ų7364.9 Ų64.939%0.3931%0.314SS..THydrogen-bonded Turntrans-74.2-24.1-176.2-70.3-22.5000113.6G104 A105 K106N45-G104 PolarHBondContact N-O 3.01Å; N45-A105 PolarHBondContact ND2-N 3.43Å; N45-A105 PolarHBondContact ND2-O 2.7Å; N45-K106 WeakPolarHBondContact OD1-CG 3.29Å
46T96.6Very high95.5Very high95 Ų9562.9 Ų62.958%0.58331%0.31SS*.THydrogen-bonded Turntrans-89.1-49.8-17549.70000112.9C44 C84 A86C44-T46 PolarHBondContact O-N 2.97Å; C44-T46 PolarHBondContact SG-OG1 2.95Å; T46-C84 PolarHBondContact OG1-SG 3.31Å; T46-A86 HydrophobicContact CG2-CB 4.12Å; T46-A86 WeakPolarHBondContact OG1-CB 3.41Å
47C96.2Very high95.6Very high44 Ų4462.5 Ų62.530%0.29731%0.306SS..THydrogen-bonded Turntrans-104.8-2.5-177.963.90000114.4G49 L83 C84C47-G49 PolarHBondContact O-N 3.47Å; C47-G49 PolarHBondContact SG-N 3.41Å; C47-L83 HydrophobicContact CB-CB 4.5Å; C47-C84 HydrophobicContact CB-CB 3.77Å; C47-C84 PolarHBondContact SG-SG 3.07Å
48N95.1Very high95.5Very high83 Ų8364 Ų6444%0.44432%0.316SS..  trans58.212.8-173.8-65.9-47.1000115.2R43 C44R43-N48 PolarHBondContact NE-OD1 3.34Å; R43-N48 PolarHBondContact NH2-OD1 3.12Å; C44-N48 WeakPolarHBondContact O-CA 3.33Å; C44-N48 PolarHBondContact O-N 3.39Å
49G94.5Very high95.5Very high10 Ų1064 Ų6410%0.10332%0.316CS..  trans-65.8138.3174.200000111.9C44 C47C44-G49 PolarHBondContact N-O 2.96Å; C47-G49 PolarHBondContact O-N 3.47Å; C47-G49 PolarHBondContact SG-N 3.41Å
50Y95.7Very high95.6Very high113 Ų11365.8 Ų65.844%0.44332%0.319SS..EExtended strand (participates in β ladder)trans-85.6133.4175.3-69.1-80.6000111.3R43R43-Y50 HydrophobicContact CB-CD1 4.05Å; R43-Y50 HydrophobicContact CB-CE1 3.94Å; R43-Y50 HydrophobicContact CG-CD1 4.23Å; R43-Y50 HydrophobicContact CG-CE1 3.94Å
51I95.9Very high95.7Very high2 Ų266.4 Ų66.41%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-112108.3169.4-62.2172.7000106.3A38 M42 K55 F57 I79 I88A38-I51 HydrophobicContact CB-CG2 3.9Å; M42-I51 HydrophobicContact CG-CB 3.71Å; M42-I51 HydrophobicContact CG-CD1 4.29Å; M42-I51 HydrophobicContact CG-CG1 4.47Å; M42-I51 HydrophobicContact CG-CG2 4.17Å; M42-I51 PolarHBondContact N-O 3.47Å; M42-I51 PolarHBondContact O-N 2.88Å; M42-I51 HydrophobicContact SD-CD1 4.36Å; I51-K55 HydrophobicContact CG2-CB 4.28Å; I51-K55 HydrophobicContact CG2-CD 4.33Å; I51-F57 HydrophobicContact CD1-CZ 4.13Å; I51-F57 HydrophobicContact CG1-CZ 4.42Å; I51-F57 HydrophobicContact CG2-CE2 3.75Å; I51-F57 HydrophobicContact CG2-CZ 3.86Å; I51-I79 HydrophobicContact CD1-CD1 3.96Å; I51-I88 HydrophobicContact CD1-CD1 3.5Å
52Y95.4Very high95.6Very high158 Ų15865.9 Ų65.962%0.6232%0.318SS*.  trans-73.3154.4175.9-61.6-78.9000111.3K55Y52-K55 WeakPolarHBondContact O-CB 3.34Å; Y52-K55 PolarHBondContact O-N 3.46Å
53K94.5Very high95.5Very high140 Ų14067.1 Ų67.161%0.60933%0.326SS*.THydrogen-bonded Turntrans-50.9146172.1-174.4172.1-176.5177.40110.8P39 N41 K55P39-K53 WeakPolarHBondContact O-CE 3.32Å; N41-K53 WeakPolarHBondContact OD1-CB 3.29Å; N41-K53 PolarHBondContact OD1-N 2.82Å; K53-K55 PolarHBondContact O-N 2.92Å
54A95.5Very high95.2Very high56 Ų5662.8 Ų62.846%0.46331%0.311SS..THydrogen-bonded Turntrans66.49.4179.200000116.4M37 A38 K56M37-A54 HydrophobicContact SD-CB 4.37Å; A38-A54 PolarHBondContact O-N 3.46Å; A54-K56 PolarHBondContact O-N 3.45Å
55K96.3Very high94.6Very high87 Ų8767 Ų6738%0.37833%0.331SS..  trans-65.7126.4170.5-172.5165-175.9162.60110.6M37 A38 I51 Y52 K53 F57M37-K55 CarbonylContact C-O 3.55Å; M37-K55 WeakPolarHBondContact CA-O 3.48Å; A38-K55 PolarHBondContact N-O 3.45Å; I51-K55 HydrophobicContact CG2-CB 4.28Å; I51-K55 HydrophobicContact CG2-CD 4.33Å; Y52-K55 WeakPolarHBondContact O-CB 3.34Å; Y52-K55 PolarHBondContact O-N 3.46Å; K53-K55 PolarHBondContact O-N 2.92Å; K55-F57 HydrophobicContact CB-CE2 3.87Å; K55-F57 HydrophobicContact CB-CZ 4.36Å; K55-F57 HydrophobicContact CD-CE2 4.18Å; K55-F57 HydrophobicContact CD-CZ 3.8Å; K55-F57 HydrophobicContact CG-CE2 3.76Å; K55-F57 HydrophobicContact CG-CZ 3.83Å; K55-F57 VanDerWaalsContact O-CD2 3.24Å; K55-F57 WeakPolarHBondContact O-CD2 3.5Å
56K97.3Very high93.9Very high137 Ų13771.3 Ų71.360%0.59635%0.354SS*.EExtended strand (participates in β ladder)trans-80132.2-176.7-67.2175.9-178.8175.60111.4T36 M37 A54T36-K56 CarbonylContact O-C 3.58Å; T36-K56 WeakPolarHBondContact O-CA 3.32Å; M37-K56 HydrophobicContact CG-CG 3.85Å; M37-K56 HydrophobicContact SD-CG 4.38Å; A54-K56 PolarHBondContact O-N 3.45Å
57F96.6Very high93.2Very high19 Ų1968.8 Ų68.88%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-130.3148.6177.8-69.1-79.3000111.7R35 T36 A38 I51 K55 S59 I79 R80R35-F57 CarbonylContact C-O 3.52Å; R35-F57 VanDerWaalsContact CA-O 3.32Å; R35-F57 WeakPolarHBondContact CA-O 3.25Å; T36-F57 PolarHBondContact N-O 2.94Å; T36-F57 PolarHBondContact O-N 3.33Å; A38-F57 HydrophobicContact CB-CE2 4.17Å; I51-F57 HydrophobicContact CD1-CZ 4.13Å; I51-F57 HydrophobicContact CG1-CZ 4.42Å; I51-F57 HydrophobicContact CG2-CE2 3.75Å; I51-F57 HydrophobicContact CG2-CZ 3.86Å; K55-F57 HydrophobicContact CB-CE2 3.87Å; K55-F57 HydrophobicContact CB-CZ 4.36Å; K55-F57 HydrophobicContact CD-CE2 4.18Å; K55-F57 HydrophobicContact CD-CZ 3.8Å; K55-F57 HydrophobicContact CG-CE2 3.76Å; K55-F57 HydrophobicContact CG-CZ 3.83Å; K55-F57 VanDerWaalsContact O-CD2 3.24Å; K55-F57 WeakPolarHBondContact O-CD2 3.5Å; F57-S59 PolarHBondContact O-N 2.74Å; F57-I79 HydrophobicContact CB-CB 4.29Å; F57-I79 HydrophobicContact CB-CG2 3.85Å; F57-I79 HydrophobicContact CD1-CB 4.33Å; F57-I79 HydrophobicContact CD1-CD1 4.47Å; F57-I79 HydrophobicContact CD2-CD1 4.07Å; F57-I79 HydrophobicContact CD2-CG2 4.27Å; F57-I79 HydrophobicContact CE1-CD1 4.28Å; F57-I79 HydrophobicContact CE2-CD1 3.86Å; F57-I79 HydrophobicContact CG-CB 4.13Å; F57-I79 HydrophobicContact CG-CD1 4.36Å; F57-I79 HydrophobicContact CG-CG2 4.04Å; F57-I79 HydrophobicContact CZ-CD1 3.96Å; F57-R80 WeakPolarHBondContact CE1-O 3.2Å
58N96.6Very high92.8Very high141 Ų14171.8 Ų71.875%0.75435%0.351SS*.EExtended strand (participates in β ladder)trans-84102.3160.3-65.8-26.5000106.7
59S95.6Very high92.6Very high1 Ų171.7 Ų71.71%0.00735%0.345CS..EExtended strand (participates in β ladder)trans-102.3152.5-175.864.10000111.5N33 I34 T36 F57 Y78N33-S59 CarbonylContact C-O 3.54Å; N33-S59 WeakPolarHBondContact CA-O 3.47Å; I34-S59 PolarHBondContact N-O 3.03Å; I34-S59 WeakPolarHBondContact O-CA 3.4Å; I34-S59 PolarHBondContact O-N 2.82Å; I34-S59 PolarHBondContact O-OG 3.08Å; T36-S59 VanDerWaalsContact CG2-OG 3.29Å; T36-S59 WeakPolarHBondContact CG2-OG 3.5Å; T36-S59 VanDerWaalsContact OG1-CB 3.25Å; T36-S59 WeakPolarHBondContact OG1-CB 3.31Å; T36-S59 PolarHBondContact OG1-OG 3.39Å; F57-S59 PolarHBondContact O-N 2.74Å; S59-Y78 WeakPolarHBondContact CA-O 3.39Å; S59-Y78 WeakPolarHBondContact CB-O 3.43Å
60R95.3Very high92.5Very high66 Ų6678.5 Ų78.525%0.24938%0.378CS..EExtended strand (participates in β ladder)trans-93.4134.5162.6-56.5177.1-66.7-170.2-3.5107.9F32 N33 F77 Y78 E87F32-R60 CarbonylContact O-C 3.45Å; F32-R60 WeakPolarHBondContact O-CA 3.26Å; N33-R60 WeakPolarHBondContact OD1-CG 3.43Å; R60-F77 CarbonylContact O-C 3.6Å; R60-F77 WeakPolarHBondContact O-CA 3.34Å; R60-Y78 HydrophobicContact CB-CD2 4.19Å; R60-Y78 PolarHBondContact N-O 3.36Å; R60-Y78 WeakPolarHBondContact O-CD2 3.41Å; R60-Y78 PolarHBondContact O-N 2.92Å; R60-E87 IonicContact CZ-OE1 3.15Å; R60-E87 IonicContact NH2-OE1 2.6Å; R60-E87 PolarHBondContact NH2-OE1 3.39Å; R60-E87 IonicContact NH2-OE2 2.66Å; R60-E87 PolarHBondContact NH2-OE2 3.07Å
61M94.7Very high92.1Very high26 Ų2676.4 Ų76.413%0.12839%0.392CS..EExtended strand (participates in β ladder)trans-110.6129.7175.8-174.2-173.982.800109.1Q31 F32 I34 Y75 R76 F77Q31-M61 WeakPolarHBondContact CA-O 3.37Å; F32-M61 HydrophobicContact CD2-CE 4.21Å; F32-M61 PolarHBondContact N-O 2.74Å; F32-M61 PolarHBondContact O-N 2.89Å; I34-M61 HydrophobicContact CD1-CB 3.88Å; I34-M61 HydrophobicContact CD1-CE 3.75Å; I34-M61 HydrophobicContact CD1-CG 4.3Å; I34-M61 HydrophobicContact CD1-SD 3.46Å; I34-M61 WeakPolarHBondContact CD1-SD 3.48Å; I34-M61 HydrophobicContact CG1-CB 4.38Å; M61-Y75 HydrophobicContact CE-CD1 3.77Å; M61-Y75 HydrophobicContact CE-CE1 3.72Å; M61-Y75 HydrophobicContact CG-CD1 3.92Å; M61-Y75 HydrophobicContact CG-CG 4.34Å; M61-Y75 HydrophobicContact SD-CD1 3.61Å; M61-Y75 HydrophobicContact SD-CE1 4.08Å; M61-Y75 HydrophobicContact SD-CG 4Å; M61-R76 WeakPolarHBondContact CA-O 3.43Å; M61-F77 HydrophobicContact CB-CD1 4.11Å; M61-F77 HydrophobicContact CB-CE1 3.94Å; M61-F77 HydrophobicContact CG-CD1 4.13Å; M61-F77 HydrophobicContact CG-CE1 3.64Å; M61-F77 HydrophobicContact CG-CZ 4.1Å; M61-F77 HydrophobicContact SD-CE1 3.92Å; M61-F77 HydrophobicContact SD-CZ 4.11Å
62E93.1Very high91.9Very high34 Ų3481 Ų8116%0.15942%0.416CS..EExtended strand (participates in β ladder)trans-120.5153.3170.1-73.5178.8-160.200110Q31 Y75 R76 Y78Q31-E62 HydrophobicContact CB-CG 4.4Å; Q31-E62 HydrophobicContact CG-CG 3.6Å; Q31-E62 WeakPolarHBondContact CG-OE1 3.27Å; Q31-E62 PolarHBondContact NE2-OE1 3.34Å; E62-Y75 WeakPolarHBondContact O-CA 3.48Å; E62-R76 HydrophobicContact CB-CB 4.48Å; E62-R76 PolarHBondContact N-O 2.89Å; E62-R76 PolarHBondContact O-N 3.25Å; E62-Y78 HydrophobicContact CB-CE2 4.09Å; E62-Y78 VanDerWaalsContact CD-CE2 3.4Å; E62-Y78 HydrophobicContact CG-CE2 3.8Å; E62-Y78 WeakPolarHBondContact OE1-CE2 3.33Å; E62-Y78 PolarHBondContact OE2-OH 3.09Å; E62-Y78 VanDerWaalsContact OE2-OH 3.07Å
63T91.9Very high91.7Very high27 Ų2779.7 Ų79.717%0.16641%0.409CS..EExtended strand (participates in β ladder)trans-79.3123.8165-54.50000107.2E65 R73T63-E65 PolarHBondContact O-N 2.79Å; T63-R73 HydrophobicContact CG2-CB 3.98Å; T63-R73 HydrophobicContact CG2-CG 4.27Å
64A89Confident91.6Very high6 Ų673.5 Ų73.55%0.0538%0.383CS..EExtended strand (participates in β ladder)trans-64.7134.3177.900000109.9H74A64-H74 HydrophobicContact CB-CB 3.99Å; A64-H74 WeakPolarHBondContact CB-O 3.44Å; A64-H74 PolarHBondContact N-O 2.91Å
65E84.9Confident91.5Very high90 Ų9075 Ų7542%0.42138%0.377SS..EExtended strand (participates in β ladder)trans-81.3139.9175.7-58.7-169.8155.200109.7R29 T63 V67R29-E65 WeakPolarHBondContact CG-OE1 3.44Å; R29-E65 IonicContact CZ-OE1 2.97Å; R29-E65 IonicContact CZ-OE2 2.86Å; R29-E65 IonicContact NE-OE1 2.64Å; R29-E65 PolarHBondContact NE-OE1 3.25Å; R29-E65 IonicContact NE-OE2 3.17Å; R29-E65 VanDerWaalsContact NH2-CD 3.33Å; R29-E65 IonicContact NH2-OE1 2.69Å; R29-E65 PolarHBondContact NH2-OE1 2.98Å; R29-E65 IonicContact NH2-OE2 3.99Å; R29-E65 PolarHBondContact NH2-OE2 2.72Å; T63-E65 PolarHBondContact O-N 2.79Å; E65-V67 VanDerWaalsContact C-N 3.33Å; E65-V67 PolarHBondContact O-N 2.91Å
66N81.1Confident91.5Very high162 Ų16273.9 Ų73.987%0.86637%0.371SS*.EExtended strand (participates in β ladder)trans69.116.9172.4-46.4-42.9000116.7
67V82Confident91.4Very high42 Ų4268.4 Ų68.426%0.25535%0.347SS..EExtended strand (participates in β ladder)trans-135.794177.5-165.40000109E65 H74E65-V67 VanDerWaalsContact C-N 3.33Å; E65-V67 PolarHBondContact O-N 2.91Å; V67-H74 HydrophobicContact CB-CB 4.49Å; V67-H74 PolarHBondContact O-N 3.15Å; V67-H74 PolarHBondContact O-ND1 3.49Å
68D88.3Confident91.4Very high107 Ų10768.8 Ų68.857%0.57235%0.348SS*.EExtended strand (participates in β ladder)trans-117.4137.8173.2-69.4-29.2000108.2L72D68-L72 CarbonylContact C-O 3.59Å; D68-L72 WeakPolarHBondContact CA-O 3.31Å
69Y91Very high91.4Very high82 Ų8262.1 Ų62.132%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-116.7114.3176.8179-98.6000109G71 L72 H74 L94 E95Y69-G71 PolarHBondContact O-N 3.46Å; Y69-L72 PolarHBondContact N-O 3.27Å; Y69-L72 WeakPolarHBondContact O-CA 3.3Å; Y69-L72 VanDerWaalsContact O-CB 3.3Å; Y69-L72 WeakPolarHBondContact O-CB 3.41Å; Y69-L72 PolarHBondContact O-N 2.88Å; Y69-H74 VanDerWaalsContact CB-CE1 3.47Å; Y69-H74 WeakPolarHBondContact CB-CE1 3.32Å; Y69-L94 HydrophobicContact CD1-CB 3.58Å; Y69-L94 HydrophobicContact CE1-CB 4.3Å; Y69-L94 HydrophobicContact CG-CB 3.93Å; Y69-E95 HydrophobicContact CD2-CB 4.26Å; Y69-E95 HydrophobicContact CE2-CB 3.8Å; Y69-E95 HydrophobicContact CE2-CG 4.1Å
70L91.3Very high91.5Very high152 Ų15269.2 Ų69.280%0.79634%0.339SS*.THydrogen-bonded Turntrans50.333.2-179.6-57.1176.4000114
71G88.5Confident91.5Very high70 Ų7066.2 Ų66.272%0.72233%0.328SS*.THydrogen-bonded Turntrans86-0.3-177.600000115.3Y69Y69-G71 PolarHBondContact O-N 3.46Å
72L91.7Very high91.5Very high99 Ų9968.1 Ų68.152%0.51834%0.342SS..EExtended strand (participates in β ladder)trans-92.3138.8171.9-58.1173.6000110.4D68 Y69 L94D68-L72 CarbonylContact C-O 3.59Å; D68-L72 WeakPolarHBondContact CA-O 3.31Å; Y69-L72 PolarHBondContact N-O 3.27Å; Y69-L72 WeakPolarHBondContact O-CA 3.3Å; Y69-L72 VanDerWaalsContact O-CB 3.3Å; Y69-L72 WeakPolarHBondContact O-CB 3.41Å; Y69-L72 PolarHBondContact O-N 2.88Å; L72-L94 HydrophobicContact CB-CD1 3.99Å; L72-L94 HydrophobicContact CB-CD2 4.13Å; L72-L94 HydrophobicContact CD1-CD2 3.79Å
73R90.4Very high91.6Very high129 Ų12972.6 Ų72.649%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-88.2142.2-176.3-60.5175.6-176.9-1623110.7T63T63-R73 HydrophobicContact CG2-CB 3.98Å; T63-R73 HydrophobicContact CG2-CG 4.27Å
74H92.9Very high91.8Very high11 Ų1173.7 Ų73.75%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-84.1142.4169.6-63.959.1000109.7A64 V67 Y69 R91 T92 D93A64-H74 HydrophobicContact CB-CB 3.99Å; A64-H74 WeakPolarHBondContact CB-O 3.44Å; A64-H74 PolarHBondContact N-O 2.91Å; V67-H74 HydrophobicContact CB-CB 4.49Å; V67-H74 PolarHBondContact O-N 3.15Å; V67-H74 PolarHBondContact O-ND1 3.49Å; Y69-H74 VanDerWaalsContact CB-CE1 3.47Å; Y69-H74 WeakPolarHBondContact CB-CE1 3.32Å; H74-R91 HydrophobicContact CB-CG 4Å; H74-T92 PolarHBondContact CD2-O 3.22Å; H74-D93 IonicContact CD2-OD1 2.74Å
75Y93.8Very high92Very high88 Ų8877.6 Ų77.635%0.34540%0.401SS..EExtended strand (participates in β ladder)trans-106.9137174.3-65.5-73.6000110.4M61 E62 R91 T92M61-Y75 HydrophobicContact CE-CD1 3.77Å; M61-Y75 HydrophobicContact CE-CE1 3.72Å; M61-Y75 HydrophobicContact CG-CD1 3.92Å; M61-Y75 HydrophobicContact CG-CG 4.34Å; M61-Y75 HydrophobicContact SD-CD1 3.61Å; M61-Y75 HydrophobicContact SD-CE1 4.08Å; M61-Y75 HydrophobicContact SD-CG 4Å; E62-Y75 WeakPolarHBondContact O-CA 3.48Å; Y75-R91 WeakPolarHBondContact O-CA 3.47Å; Y75-T92 PolarHBondContact N-OG1 3.45Å; Y75-T92 PolarHBondContact O-N 2.92Å; Y75-T92 PolarHBondContact O-OG1 2.94Å
76R95.1Very high92.6Very high63 Ų6374.5 Ų74.524%0.23839%0.39CS..EExtended strand (participates in β ladder)trans-104.8128.6172.7-177.7178.9-73.4168.8-1.3109.2M61 E62 Y78 I89 W90 E102M61-R76 WeakPolarHBondContact CA-O 3.43Å; E62-R76 HydrophobicContact CB-CB 4.48Å; E62-R76 PolarHBondContact N-O 2.89Å; E62-R76 PolarHBondContact O-N 3.25Å; R76-Y78 HydrophobicContact CB-CE2 4.48Å; R76-Y78 WeakPolarHBondContact CD-OH 3.33Å; R76-Y78 HydrophobicContact CG-CE2 3.85Å; R76-I89 HydrophobicContact CG-CG2 3.39Å; R76-W90 WeakPolarHBondContact CA-O 3.4Å; R76-E102 IonicContact CZ-OE1 2.79Å; R76-E102 IonicContact CZ-OE2 2.69Å; R76-E102 IonicContact NE-OE1 3.72Å; R76-E102 PolarHBondContact NE-OE1 3.41Å; R76-E102 VanDerWaalsContact NE-OE1 3.15Å; R76-E102 IonicContact NE-OE2 3.28Å; R76-E102 PolarHBondContact NE-OE2 2.96Å; R76-E102 IonicContact NH2-OE1 2.9Å; R76-E102 PolarHBondContact NH2-OE1 2.92Å; R76-E102 IonicContact NH2-OE2 4Å; R76-E102 PolarHBondContact NH2-OE2 2.9Å; R76-E102 VanDerWaalsContact NH2-OE2 3.14Å
77F96.3Very high93.3Very high21 Ų2170.5 Ų70.59%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-110.8136.3178-63.3-83.6000110.4T36 R60 M61 I89 W90 T92 Y99T36-F77 HydrophobicContact CG2-CD1 4Å; T36-F77 HydrophobicContact CG2-CE1 3.81Å; R60-F77 CarbonylContact O-C 3.6Å; R60-F77 WeakPolarHBondContact O-CA 3.34Å; M61-F77 HydrophobicContact CB-CD1 4.11Å; M61-F77 HydrophobicContact CB-CE1 3.94Å; M61-F77 HydrophobicContact CG-CD1 4.13Å; M61-F77 HydrophobicContact CG-CE1 3.64Å; M61-F77 HydrophobicContact CG-CZ 4.1Å; M61-F77 HydrophobicContact SD-CE1 3.92Å; M61-F77 HydrophobicContact SD-CZ 4.11Å; F77-I89 WeakPolarHBondContact O-CA 3.24Å; F77-W90 HydrophobicContact CB-CD2 4.48Å; F77-W90 HydrophobicContact CB-CG 4.49Å; F77-W90 HydrophobicContact CB-CZ2 4.39Å; F77-W90 AromaticContact CD2-CD1 3.74Å; F77-W90 AromaticContact CD2-NE1 3.51Å; F77-W90 AromaticContact CG-NE1 3.69Å; F77-W90 PolarHBondContact N-O 3.36Å; F77-W90 PolarHBondContact O-N 3.43Å; F77-T92 HydrophobicContact CE2-CG2 3.84Å; F77-Y99 HydrophobicContact CE2-CE1 4.33Å
78Y96.8Very high94Very high28 Ų2868.5 Ų68.511%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-110.8119.3173.3-58.2-99.8000108.4S59 R60 E62 R76 I89S59-Y78 WeakPolarHBondContact CA-O 3.39Å; S59-Y78 WeakPolarHBondContact CB-O 3.43Å; R60-Y78 HydrophobicContact CB-CD2 4.19Å; R60-Y78 PolarHBondContact N-O 3.36Å; R60-Y78 WeakPolarHBondContact O-CD2 3.41Å; R60-Y78 PolarHBondContact O-N 2.92Å; E62-Y78 HydrophobicContact CB-CE2 4.09Å; E62-Y78 VanDerWaalsContact CD-CE2 3.4Å; E62-Y78 HydrophobicContact CG-CE2 3.8Å; E62-Y78 WeakPolarHBondContact OE1-CE2 3.33Å; E62-Y78 PolarHBondContact OE2-OH 3.09Å; E62-Y78 VanDerWaalsContact OE2-OH 3.07Å; R76-Y78 HydrophobicContact CB-CE2 4.48Å; R76-Y78 WeakPolarHBondContact CD-OH 3.33Å; R76-Y78 HydrophobicContact CG-CE2 3.85Å; Y78-I89 HydrophobicContact CD1-CD1 3.86Å; Y78-I89 HydrophobicContact CD1-CG1 3.77Å; Y78-I89 HydrophobicContact CE1-CD1 3.52Å; Y78-I89 HydrophobicContact CE1-CG1 3.92Å; Y78-I89 HydrophobicContact CE1-CG2 4.46Å
79I96.4Very high94.4Very high1 Ų164.6 Ų64.61%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-114.5159.9168.368.7153.5000110.2M42 I51 F57 E87 I88 W90M42-I79 HydrophobicContact SD-CD1 4.49Å; I51-I79 HydrophobicContact CD1-CD1 3.96Å; F57-I79 HydrophobicContact CB-CB 4.29Å; F57-I79 HydrophobicContact CB-CG2 3.85Å; F57-I79 HydrophobicContact CD1-CB 4.33Å; F57-I79 HydrophobicContact CD1-CD1 4.47Å; F57-I79 HydrophobicContact CD2-CD1 4.07Å; F57-I79 HydrophobicContact CD2-CG2 4.27Å; F57-I79 HydrophobicContact CE1-CD1 4.28Å; F57-I79 HydrophobicContact CE2-CD1 3.86Å; F57-I79 HydrophobicContact CG-CB 4.13Å; F57-I79 HydrophobicContact CG-CD1 4.36Å; F57-I79 HydrophobicContact CG-CG2 4.04Å; F57-I79 HydrophobicContact CZ-CD1 3.96Å; I79-E87 CarbonylContact O-C 3.57Å; I79-E87 WeakPolarHBondContact O-CA 3.37Å; I79-I88 HydrophobicContact CD1-CB 4.19Å; I79-I88 HydrophobicContact CD1-CD1 4.07Å; I79-I88 HydrophobicContact CG1-CB 3.72Å; I79-I88 HydrophobicContact CG1-CD1 4.42Å; I79-I88 HydrophobicContact CG1-CG1 4.5Å; I79-I88 HydrophobicContact CG1-CG2 4.39Å; I79-I88 PolarHBondContact N-O 3.41Å; I79-I88 PolarHBondContact O-N 2.95Å; I79-W90 HydrophobicContact CB-CH2 4.12Å; I79-W90 HydrophobicContact CB-CZ3 4.32Å; I79-W90 HydrophobicContact CD1-CE3 4.49Å; I79-W90 HydrophobicContact CD1-CH2 3.54Å; I79-W90 HydrophobicContact CD1-CZ3 3.3Å; I79-W90 HydrophobicContact CG1-CE3 4.34Å; I79-W90 HydrophobicContact CG1-CH2 3.72Å; I79-W90 HydrophobicContact CG1-CZ3 3.45Å; I79-W90 VanDerWaalsContact CG1-CZ3 3.45Å; I79-W90 HydrophobicContact CG2-CH2 3.32Å; I79-W90 HydrophobicContact CG2-CZ2 3.75Å; I79-W90 HydrophobicContact CG2-CZ3 3.95Å
80R95.9Very high94.6Very high150 Ų15060.9 Ų60.957%0.56632%0.319SS*.EExtended strand (participates in β ladder)trans-106.2133.9170.5-68.3-177.9176.1175.7-1.9109.9F57 E87F57-R80 WeakPolarHBondContact CE1-O 3.2Å; R80-E87 HydrophobicContact CG-CG 4.43Å; R80-E87 IonicContact NE-OE1 3.9Å; R80-E87 IonicContact NH2-OE1 3.85Å
81C96.2Very high94.7Very high2 Ų256.4 Ų56.41%0.01429%0.291CS..  trans-61133.5171.7-174.50000109.7L83 C85 A86 I88C81-L83 PolarHBondContact O-N 3.34Å; C81-C85 VanDerWaalsContact O-CA 3.27Å; C81-C85 WeakPolarHBondContact O-CA 3.39Å; C81-C85 PolarHBondContact O-N 2.96Å; C81-A86 PolarHBondContact N-O 3.35Å; C81-I88 HydrophobicContact CB-CD1 4.34Å
82P94.9Very high95.1Very high67 Ų6754.2 Ų54.244%0.43526%0.264SS..THydrogen-bonded Turntrans-67.5-19.6-178.327.4-36.7000114.1
83L95.2Very high95.2Very high127 Ų12751.2 Ų51.267%0.66525%0.248SC*.THydrogen-bonded Turntrans-94.1-52.7-176.6-61178.9000112.3C47 C81C47-L83 HydrophobicContact CB-CB 4.5Å; C81-L83 PolarHBondContact O-N 3.34Å
84C95.5Very high95.3Very high51 Ų5148.3 Ų48.335%0.34524%0.242SC..THydrogen-bonded Turntrans-112.55.7-172.465.80000114.1T46 C47 A86T46-C84 PolarHBondContact OG1-SG 3.31Å; C47-C84 HydrophobicContact CB-CB 3.77Å; C47-C84 PolarHBondContact SG-SG 3.07Å; C84-A86 PolarHBondContact O-N 2.92Å; C84-A86 VanDerWaalsContact SG-CB 3.56Å
85C94.6Very high95.2Very high88 Ų8855.4 Ų55.460%0.59528%0.275SS*.  trans57.311.8-179.2-61.10000115.7C81C81-C85 VanDerWaalsContact O-CA 3.27Å; C81-C85 WeakPolarHBondContact O-CA 3.39Å; C81-C85 PolarHBondContact O-N 2.96Å
86A96.5Very high95Very high24 Ų2455.1 Ų55.120%0.19829%0.286CS..  trans-65.5140.4176.900000110.4T46 C81 C84T46-A86 HydrophobicContact CG2-CB 4.12Å; T46-A86 WeakPolarHBondContact OG1-CB 3.41Å; C81-A86 PolarHBondContact N-O 3.35Å; C84-A86 PolarHBondContact O-N 2.92Å; C84-A86 VanDerWaalsContact SG-CB 3.56Å
87E96.2Very high94.8Very high79 Ų7955.5 Ų55.537%0.36931%0.309SS..EExtended strand (participates in β ladder)trans-79.5128.8179.3-59.4-166.8164.400110.1R60 I79 R80R60-E87 IonicContact CZ-OE1 3.15Å; R60-E87 IonicContact NH2-OE1 2.6Å; R60-E87 PolarHBondContact NH2-OE1 3.39Å; R60-E87 IonicContact NH2-OE2 2.66Å; R60-E87 PolarHBondContact NH2-OE2 3.07Å; I79-E87 CarbonylContact O-C 3.57Å; I79-E87 WeakPolarHBondContact O-CA 3.37Å; R80-E87 HydrophobicContact CG-CG 4.43Å; R80-E87 IonicContact NE-OE1 3.9Å; R80-E87 IonicContact NH2-OE1 3.85Å
88I96.5Very high94.7Very high0 Ų056.7 Ų56.70%032%0.317CS..EExtended strand (participates in β ladder)trans-113.2132.8174.8-56.5165.8000107M42 C44 I51 I79 C81 W90 L101 S103 A105M42-I88 HydrophobicContact SD-CD1 4.38Å; M42-I88 HydrophobicContact SD-CG2 3.94Å; C44-I88 HydrophobicContact CB-CD1 4.46Å; I51-I88 HydrophobicContact CD1-CD1 3.5Å; I79-I88 HydrophobicContact CD1-CB 4.19Å; I79-I88 HydrophobicContact CD1-CD1 4.07Å; I79-I88 HydrophobicContact CG1-CB 3.72Å; I79-I88 HydrophobicContact CG1-CD1 4.42Å; I79-I88 HydrophobicContact CG1-CG1 4.5Å; I79-I88 HydrophobicContact CG1-CG2 4.39Å; I79-I88 PolarHBondContact N-O 3.41Å; I79-I88 PolarHBondContact O-N 2.95Å; C81-I88 HydrophobicContact CB-CD1 4.34Å; I88-W90 HydrophobicContact CG2-CE3 4.13Å; I88-W90 HydrophobicContact CG2-CZ3 4.33Å; I88-L101 HydrophobicContact CG2-CD1 4.34Å; I88-S103 WeakPolarHBondContact CA-O 2.96Å; I88-S103 WeakPolarHBondContact CG2-O 3.24Å; I88-A105 HydrophobicContact CD1-CB 4.08Å; I88-A105 HydrophobicContact CG1-CB 4.25Å; I88-A105 HydrophobicContact CG2-CB 3.77Å
89I96.4Very high94.6Very high25 Ų2559.2 Ų59.213%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-120.4127.3-173.6-51.5-179.4000109.2R76 F77 Y78 E102 S103R76-I89 HydrophobicContact CG-CG2 3.39Å; F77-I89 WeakPolarHBondContact O-CA 3.24Å; Y78-I89 HydrophobicContact CD1-CD1 3.86Å; Y78-I89 HydrophobicContact CD1-CG1 3.77Å; Y78-I89 HydrophobicContact CE1-CD1 3.52Å; Y78-I89 HydrophobicContact CE1-CG1 3.92Å; Y78-I89 HydrophobicContact CE1-CG2 4.46Å; I89-E102 HydrophobicContact CB-CB 4.34Å; I89-E102 HydrophobicContact CG2-CB 4.19Å; I89-E102 VanDerWaalsContact CG2-OE2 3.28Å; I89-E102 WeakPolarHBondContact CG2-OE2 3.37Å; I89-E102 PolarHBondContact O-N 3.31Å; I89-S103 WeakPolarHBondContact CB-OG 3.26Å; I89-S103 WeakPolarHBondContact CD1-OG 3.27Å; I89-S103 WeakPolarHBondContact CG1-OG 3.36Å; I89-S103 PolarHBondContact N-O 3Å; I89-S103 PolarHBondContact O-N 2.92Å
90W95.4Very high94.4Very high3 Ų362 Ų621%0.01134%0.344CS..EExtended strand (participates in β ladder)trans-133.7154.4167.862.474.8000111.3A38 F40 M42 R76 F77 I79 I88 Y99 V100A38-W90 HydrophobicContact CB-CH2 4.44Å; F40-W90 HydrophobicContact CZ-CB 4.49Å; M42-W90 HydrophobicContact CE-CE3 3.8Å; M42-W90 HydrophobicContact CE-CH2 4.16Å; M42-W90 HydrophobicContact CE-CZ3 3.43Å; M42-W90 VanDerWaalsContact CE-CZ3 3.43Å; M42-W90 HydrophobicContact SD-CE3 4.17Å; M42-W90 HydrophobicContact SD-CZ3 3.77Å; R76-W90 WeakPolarHBondContact CA-O 3.4Å; F77-W90 HydrophobicContact CB-CD2 4.48Å; F77-W90 HydrophobicContact CB-CG 4.49Å; F77-W90 HydrophobicContact CB-CZ2 4.39Å; F77-W90 AromaticContact CD2-CD1 3.74Å; F77-W90 AromaticContact CD2-NE1 3.51Å; F77-W90 AromaticContact CG-NE1 3.69Å; F77-W90 PolarHBondContact N-O 3.36Å; F77-W90 PolarHBondContact O-N 3.43Å; I79-W90 HydrophobicContact CB-CH2 4.12Å; I79-W90 HydrophobicContact CB-CZ3 4.32Å; I79-W90 HydrophobicContact CD1-CE3 4.49Å; I79-W90 HydrophobicContact CD1-CH2 3.54Å; I79-W90 HydrophobicContact CD1-CZ3 3.3Å; I79-W90 HydrophobicContact CG1-CE3 4.34Å; I79-W90 HydrophobicContact CG1-CH2 3.72Å; I79-W90 HydrophobicContact CG1-CZ3 3.45Å; I79-W90 VanDerWaalsContact CG1-CZ3 3.45Å; I79-W90 HydrophobicContact CG2-CH2 3.32Å; I79-W90 HydrophobicContact CG2-CZ2 3.75Å; I79-W90 HydrophobicContact CG2-CZ3 3.95Å; I88-W90 HydrophobicContact CG2-CE3 4.13Å; I88-W90 HydrophobicContact CG2-CZ3 4.33Å; W90-Y99 AromaticContact CD1-CD1 3.77Å; W90-V100 CarbonylContact C-O 3.46Å; W90-V100 VanDerWaalsContact CA-O 3.25Å; W90-V100 WeakPolarHBondContact CA-O 3.28Å; W90-V100 WeakPolarHBondContact CB-O 3.44Å
91R94.6Very high94.4Very high58 Ų5856.7 Ų56.722%0.21933%0.326CS..EExtended strand (participates in β ladder)trans-113.7149.4178.9-170-170.5-53.4171.14.3109.7H74 Y75 Y99 V100 E102H74-R91 HydrophobicContact CB-CG 4Å; Y75-R91 WeakPolarHBondContact O-CA 3.47Å; R91-Y99 CarbonylContact O-C 3.53Å; R91-Y99 WeakPolarHBondContact O-CA 3.2Å; R91-Y99 WeakPolarHBondContact O-CB 3.33Å; R91-V100 PolarHBondContact N-O 2.81Å; R91-V100 PolarHBondContact O-N 3.28Å; R91-E102 HydrophobicContact CB-CG 4.44Å; R91-E102 IonicContact CZ-OE1 3.13Å; R91-E102 IonicContact NE-OE1 3.73Å; R91-E102 PolarHBondContact NE-OE1 3.38Å; R91-E102 IonicContact NH2-OE1 2.84Å; R91-E102 PolarHBondContact NH2-OE1 2.9Å
92T95.3Very high94.2Very high25 Ų2559.4 Ų59.415%0.15334%0.339CS..EExtended strand (participates in β ladder)trans-79.2129.8166.250.20000109.9H74 Y75 F77 Y99H74-T92 PolarHBondContact CD2-O 3.22Å; Y75-T92 PolarHBondContact N-OG1 3.45Å; Y75-T92 PolarHBondContact O-N 2.92Å; Y75-T92 PolarHBondContact O-OG1 2.94Å; F77-T92 HydrophobicContact CE2-CG2 3.84Å; T92-Y99 HydrophobicContact CG2-CD1 3.79Å; T92-Y99 HydrophobicContact CG2-CE1 3.32Å
93D94Very high94.2Very high36 Ų3658.6 Ų58.619%0.19334%0.335CS..  trans-111.4115.7173.9-70-2.8000110.3H74 G97 D98 V100H74-D93 IonicContact CD2-OD1 2.74Å; D93-G97 PolarHBondContact O-N 3.49Å; D93-D98 WeakPolarHBondContact CA-O 3.4Å; D93-D98 WeakPolarHBondContact CB-O 3.3Å; D93-D98 PolarHBondContact N-O 2.91Å; D93-D98 VanDerWaalsContact O-O 3.08Å; D93-V100 WeakPolarHBondContact OD2-CB 3.45Å; D93-V100 WeakPolarHBondContact OD2-CG2 3.26Å
94L93Very high94.2Very high67 Ų6753.4 Ų53.435%0.35131%0.312SS..THydrogen-bonded Turntrans-78.6-21.7-173.9-74130.9000113.3Y69 L72Y69-L94 HydrophobicContact CD1-CB 3.58Å; Y69-L94 HydrophobicContact CE1-CB 4.3Å; Y69-L94 HydrophobicContact CG-CB 3.93Å; L72-L94 HydrophobicContact CB-CD1 3.99Å; L72-L94 HydrophobicContact CB-CD2 4.13Å; L72-L94 HydrophobicContact CD1-CD2 3.79Å
95E91.7Very high94.2Very high160 Ų16051.2 Ų51.275%0.74830%0.297SS*.THydrogen-bonded Turntrans-72-42.4-179.8-174.8174.3-167.900112.4Y69Y69-E95 HydrophobicContact CD2-CB 4.26Å; Y69-E95 HydrophobicContact CE2-CB 3.8Å; Y69-E95 HydrophobicContact CE2-CG 4.1Å
96S88.5Confident94.2Very high83 Ų8353.8 Ų53.858%0.5830%0.299SS*.THydrogen-bonded Turntrans-92.8-16.3-179.862.10000113.6D98S96-D98 PolarHBondContact O-N 3.43Å; S96-D98 PolarHBondContact OG-N 2.91Å
97G91.4Very high94.1Very high70 Ų7056.7 Ų56.772%0.72230%0.304SS*.SBendtrans70.212.4-169.900000113.9D93D93-G97 PolarHBondContact O-N 3.49Å
98D93Very high93.8Very high46 Ų4655.5 Ų55.525%0.24630%0.301CS..SBendtrans-111.4177.7175.8-165.74.9000110.3D93 S96 R107 K113D93-D98 WeakPolarHBondContact CA-O 3.4Å; D93-D98 WeakPolarHBondContact CB-O 3.3Å; D93-D98 PolarHBondContact N-O 2.91Å; D93-D98 VanDerWaalsContact O-O 3.08Å; S96-D98 PolarHBondContact O-N 3.43Å; S96-D98 PolarHBondContact OG-N 2.91Å; D98-R107 IonicContact OD1-CZ 3.15Å; D98-R107 IonicContact OD1-NH2 3.14Å; D98-R107 PolarHBondContact OD1-NH2 2.93Å; D98-R107 IonicContact OD2-CZ 2.85Å; D98-R107 IonicContact OD2-NH1 2.79Å; D98-R107 PolarHBondContact OD2-NH1 3.22Å; D98-R107 VanDerWaalsContact OD2-NH1 3.09Å; D98-R107 IonicContact OD2-NH2 3.41Å; D98-K113 IonicContact OD2-NZ 2.8Å
99Y94.5Very high93.2Very high81 Ų8163.2 Ų63.232%0.31833%0.334SS..EExtended strand (participates in β ladder)trans-92.9160.9166.8-63-95.5000109.2P39 F77 W90 R91 T92 R107P39-Y99 HydrophobicContact CB-CD2 3.39Å; P39-Y99 HydrophobicContact CB-CE2 3.53Å; P39-Y99 HydrophobicContact CB-CG 4.1Å; P39-Y99 HydrophobicContact CG-CD1 4.14Å; P39-Y99 HydrophobicContact CG-CD2 3.5Å; P39-Y99 VanDerWaalsContact CG-CD2 3.5Å; P39-Y99 HydrophobicContact CG-CE1 4.44Å; P39-Y99 HydrophobicContact CG-CE2 3.87Å; P39-Y99 HydrophobicContact CG-CG 3.66Å; F77-Y99 HydrophobicContact CE2-CE1 4.33Å; W90-Y99 AromaticContact CD1-CD1 3.77Å; R91-Y99 CarbonylContact O-C 3.53Å; R91-Y99 WeakPolarHBondContact O-CA 3.2Å; R91-Y99 WeakPolarHBondContact O-CB 3.33Å; T92-Y99 HydrophobicContact CG2-CD1 3.79Å; T92-Y99 HydrophobicContact CG2-CE1 3.32Å; Y99-R107 PolarHBondContact O-NH1 3.13Å; Y99-R107 PolarHBondContact O-NH2 3.45Å
100V93.7Very high92.5Very high60 Ų6066.2 Ų66.236%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-123.4137.2165.3157.50000110.1W90 R91 D93W90-V100 CarbonylContact C-O 3.46Å; W90-V100 VanDerWaalsContact CA-O 3.25Å; W90-V100 WeakPolarHBondContact CA-O 3.28Å; W90-V100 WeakPolarHBondContact CB-O 3.44Å; R91-V100 PolarHBondContact N-O 2.81Å; R91-V100 PolarHBondContact O-N 3.28Å; D93-V100 WeakPolarHBondContact OD2-CB 3.45Å; D93-V100 WeakPolarHBondContact OD2-CG2 3.26Å
101L94.5Very high92Very high38 Ų3869 Ų6920%0.19937%0.372CS..EExtended strand (participates in β ladder)trans-85.4123.1178.6-167.8141.4000109.5F40 M42 I88 A105F40-L101 HydrophobicContact CE2-CD1 3.76Å; F40-L101 HydrophobicContact CZ-CB 4.14Å; F40-L101 HydrophobicContact CZ-CD1 3.88Å; M42-L101 HydrophobicContact SD-CD1 4.45Å; I88-L101 HydrophobicContact CG2-CD1 4.34Å; L101-A105 HydrophobicContact CD1-CB 3.71Å; L101-A105 WeakPolarHBondContact CD2-O 3.37Å
102E93.7Very high91.6Very high59 Ų5972.7 Ų72.728%0.27640%0.395SS..EExtended strand (participates in β ladder)trans-91-48.9178.5-66.6-175.5170.500111.3R76 I89 R91R76-E102 IonicContact CZ-OE1 2.79Å; R76-E102 IonicContact CZ-OE2 2.69Å; R76-E102 IonicContact NE-OE1 3.72Å; R76-E102 PolarHBondContact NE-OE1 3.41Å; R76-E102 VanDerWaalsContact NE-OE1 3.15Å; R76-E102 IonicContact NE-OE2 3.28Å; R76-E102 PolarHBondContact NE-OE2 2.96Å; R76-E102 IonicContact NH2-OE1 2.9Å; R76-E102 PolarHBondContact NH2-OE1 2.92Å; R76-E102 IonicContact NH2-OE2 4Å; R76-E102 PolarHBondContact NH2-OE2 2.9Å; R76-E102 VanDerWaalsContact NH2-OE2 3.14Å; I89-E102 HydrophobicContact CB-CB 4.34Å; I89-E102 HydrophobicContact CG2-CB 4.19Å; I89-E102 VanDerWaalsContact CG2-OE2 3.28Å; I89-E102 WeakPolarHBondContact CG2-OE2 3.37Å; I89-E102 PolarHBondContact O-N 3.31Å; R91-E102 HydrophobicContact CB-CG 4.44Å; R91-E102 IonicContact CZ-OE1 3.13Å; R91-E102 IonicContact NE-OE1 3.73Å; R91-E102 PolarHBondContact NE-OE1 3.38Å; R91-E102 IonicContact NH2-OE1 2.84Å; R91-E102 PolarHBondContact NH2-OE1 2.9Å
103S94.8Very high91.1Very high50 Ų5075.6 Ų75.635%0.3541%0.406SS..EExtended strand (participates in β ladder)trans-156.7161.2-174.271.10000114I88 I89 A105I88-S103 WeakPolarHBondContact CA-O 2.96Å; I88-S103 WeakPolarHBondContact CG2-O 3.24Å; I89-S103 WeakPolarHBondContact CB-OG 3.26Å; I89-S103 WeakPolarHBondContact CD1-OG 3.27Å; I89-S103 WeakPolarHBondContact CG1-OG 3.36Å; I89-S103 PolarHBondContact N-O 3Å; I89-S103 PolarHBondContact O-N 2.92Å; S103-A105 PolarHBondContact O-N 2.95Å
104G94.3Very high90.8Very high19 Ų1975.8 Ų75.820%0.19641%0.408CS..SBendtrans88.1-16.7170.300000116.5N45N45-G104 PolarHBondContact N-O 3.01Å
105A96Very high90.6Very high4 Ų475.3 Ų75.33%0.03341%0.414CS..EExtended strand (participates in β ladder)trans-144.1178.6174.900000111.8M42 R43 N45 I88 L101 S103M42-A105 HydrophobicContact CB-CB 4.08Å; M42-A105 HydrophobicContact CG-CB 4.21Å; M42-A105 HydrophobicContact SD-CB 4.16Å; R43-A105 CarbonylContact O-C 3.58Å; R43-A105 WeakPolarHBondContact O-CA 3.49Å; R43-A105 VanDerWaalsContact O-CB 3.22Å; R43-A105 WeakPolarHBondContact O-CB 3.4Å; N45-A105 PolarHBondContact ND2-N 3.43Å; N45-A105 PolarHBondContact ND2-O 2.7Å; I88-A105 HydrophobicContact CD1-CB 4.08Å; I88-A105 HydrophobicContact CG1-CB 4.25Å; I88-A105 HydrophobicContact CG2-CB 3.77Å; L101-A105 HydrophobicContact CD1-CB 3.71Å; L101-A105 WeakPolarHBondContact CD2-O 3.37Å; S103-A105 PolarHBondContact O-N 2.95Å
106K94.6Very high90.5Very high142 Ų14273.9 Ų73.962%0.61741%0.407SS*.EExtended strand (participates in β ladder)trans-125.3144.2166.7-76.3170.4-175.6-174.30108.2M42 R43 N45M42-K106 CarbonylContact C-O 3.37Å; M42-K106 VanDerWaalsContact CA-O 3.27Å; M42-K106 WeakPolarHBondContact CA-O 3.38Å; R43-K106 PolarHBondContact N-O 3.21Å; R43-K106 PolarHBondContact O-N 3.4Å; N45-K106 WeakPolarHBondContact OD1-CG 3.29Å
107R93.1Very high90.6Very high85 Ų8574.2 Ų74.232%0.32140%0.4SS..EExtended strand (participates in β ladder)trans-67.4143169-70.1-143.6168.9138.8-14.7109.7F40 D98 Y99F40-R107 VanDerWaalsContact CD1-NE 3.32Å; F40-R107 HydrophobicContact CD2-CG 3.63Å; F40-R107 HydrophobicContact CE2-CG 3.52Å; F40-R107 HydrophobicContact CG-CG 4.48Å; F40-R107 HydrophobicContact CZ-CG 4.32Å; F40-R107 VanDerWaalsContact CZ-NE 3.28Å; D98-R107 IonicContact OD1-CZ 3.15Å; D98-R107 IonicContact OD1-NH2 3.14Å; D98-R107 PolarHBondContact OD1-NH2 2.93Å; D98-R107 IonicContact OD2-CZ 2.85Å; D98-R107 IonicContact OD2-NH1 2.79Å; D98-R107 PolarHBondContact OD2-NH1 3.22Å; D98-R107 VanDerWaalsContact OD2-NH1 3.09Å; D98-R107 IonicContact OD2-NH2 3.41Å; Y99-R107 PolarHBondContact O-NH1 3.13Å; Y99-R107 PolarHBondContact O-NH2 3.45Å
108N90.6Very high90.6Very high54 Ų5476.6 Ų76.629%0.28940%0.395SS..PPolyproline II helixtrans-70.8144.9168.4-69.8-2.2000109.1N41 E110N41-N108 HydrophobicContact CB-CB 4.18Å; N41-N108 PolarHBondContact O-N 3.35Å; N41-N108 VanDerWaalsContact O-N 3.14Å; N108-E110 PolarHBondContact O-N 3.34Å
109F83.6Confident90.6Very high162 Ų16277.8 Ų77.871%0.71140%0.399SS*.PPolyproline II helixtrans-72.5120.4174.9-177-100.5000109.6A111 T114F109-A111 HydrophobicContact CD1-CB 4.27Å; F109-A111 HydrophobicContact CE1-CB 3.91Å; F109-T114 HydrophobicContact CD2-CG2 4.15Å; F109-T114 HydrophobicContact CE2-CG2 3.37Å; F109-T114 HydrophobicContact CZ-CG2 3.65Å; F109-T114 WeakPolarHBondContact CZ-OG1 3.5Å
110E82Confident90.5Very high88 Ų8876.5 Ų76.541%0.41141%0.405SS..  trans-98.296174.9-68.8179.917900108.1N108 L112 K113 T114N108-E110 PolarHBondContact O-N 3.34Å; E110-L112 PolarHBondContact O-N 2.99Å; E110-K113 HydrophobicContact CB-CB 3.87Å; E110-K113 PolarHBondContact O-N 2.93Å; E110-T114 PolarHBondContact O-N 3.19Å; E110-T114 VanDerWaalsContact O-N 3.1Å; E110-T114 PolarHBondContact O-OG1 3.45Å
111A85.8Confident90.5Very high62 Ų6279.7 Ų79.751%0.51241%0.414SS..Hα-helixtrans-55.5-35.8-17600000112.8F109 T114 A115F109-A111 HydrophobicContact CD1-CB 4.27Å; F109-A111 HydrophobicContact CE1-CB 3.91Å; A111-T114 WeakPolarHBondContact CA-OG1 3.42Å; A111-T114 PolarHBondContact O-OG1 3.43Å; A111-A115 VanDerWaalsContact O-CB 3.32Å; A111-A115 WeakPolarHBondContact O-CB 3.05Å; A111-A115 PolarHBondContact O-N 2.98Å
112L84.9Confident90.4Very high136 Ų13683.3 Ų83.371%0.71243%0.425SS*.Hα-helixtrans-63.5-49.8175.3-65.8177.1000111.6E110 T114 A115 E116E110-L112 PolarHBondContact O-N 2.99Å; L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.38Å; L112-A115 PolarHBondContact O-N 3.01Å; L112-A115 VanDerWaalsContact O-N 3.09Å; L112-E116 WeakPolarHBondContact O-CB 3.47Å; L112-E116 WeakPolarHBondContact O-CG 3.41Å; L112-E116 PolarHBondContact O-N 3.37Å
113K84.7Confident90.3Very high85 Ų8584.8 Ų84.837%0.3743%0.432SS..Hα-helixtrans-58.7-43.3179-170.5179-177.9-179.10111.5D98 E110 E116 E117D98-K113 IonicContact OD2-NZ 2.8Å; E110-K113 HydrophobicContact CB-CB 3.87Å; E110-K113 PolarHBondContact O-N 2.93Å; K113-E116 PolarHBondContact O-N 3.16Å; K113-E117 WeakPolarHBondContact CE-OE1 3.2Å; K113-E117 WeakPolarHBondContact O-CB 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.26Å; K113-E117 PolarHBondContact O-N 3.15Å
114T87.6Confident90.3Very high41 Ų4184.4 Ų84.425%0.25243%0.432SS..Hα-helixtrans-69.4-33.3177.152.20000113.7F109 E110 A111 L112 L118F109-T114 HydrophobicContact CD2-CG2 4.15Å; F109-T114 HydrophobicContact CE2-CG2 3.37Å; F109-T114 HydrophobicContact CZ-CG2 3.65Å; F109-T114 WeakPolarHBondContact CZ-OG1 3.5Å; E110-T114 PolarHBondContact O-N 3.19Å; E110-T114 VanDerWaalsContact O-N 3.1Å; E110-T114 PolarHBondContact O-OG1 3.45Å; A111-T114 WeakPolarHBondContact CA-OG1 3.42Å; A111-T114 PolarHBondContact O-OG1 3.43Å; L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.38Å; T114-L118 WeakPolarHBondContact O-CB 3.24Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 3.06Å; T114-L118 VanDerWaalsContact O-N 3.08Å
115A88.8Confident90.1Very high56 Ų5689.3 Ų89.346%0.46345%0.45SS..Hα-helixtrans-69-42.7175.500000110.9A111 L112 L118 E119A111-A115 VanDerWaalsContact O-CB 3.32Å; A111-A115 WeakPolarHBondContact O-CB 3.05Å; A111-A115 PolarHBondContact O-N 2.98Å; L112-A115 PolarHBondContact O-N 3.01Å; L112-A115 VanDerWaalsContact O-N 3.09Å; A115-L118 PolarHBondContact O-N 3.35Å; A115-E119 VanDerWaalsContact O-CB 3.24Å; A115-E119 WeakPolarHBondContact O-CB 3.36Å; A115-E119 PolarHBondContact O-N 3.02Å
116E90.8Very high89.7Confident130 Ų13092 Ų9261%0.60746%0.462SS*.Hα-helixtrans-63.1-44.6175.1-71.8168.9-172.700111.8L112 K113 L118 E119 A120L112-E116 WeakPolarHBondContact O-CB 3.47Å; L112-E116 WeakPolarHBondContact O-CG 3.41Å; L112-E116 PolarHBondContact O-N 3.37Å; K113-E116 PolarHBondContact O-N 3.16Å; E116-L118 VanDerWaalsContact C-N 3.35Å; E116-L118 PolarHBondContact O-N 3.44Å; E116-E119 PolarHBondContact O-N 2.85Å; E116-A120 VanDerWaalsContact O-CB 3.22Å; E116-A120 WeakPolarHBondContact O-CB 3.49Å; E116-A120 PolarHBondContact O-N 3.49Å
117E89.6Confident89.4Confident91 Ų9191.3 Ų91.343%0.42546%0.461SS..Hα-helixtrans-63.6-38.2176.3-76.3175.1-164.400112.5K113 K121K113-E117 WeakPolarHBondContact CE-OE1 3.2Å; K113-E117 WeakPolarHBondContact O-CB 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.26Å; K113-E117 PolarHBondContact O-N 3.15Å; E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 VanDerWaalsContact O-CG 3.24Å; E117-K121 WeakPolarHBondContact O-CG 3.4Å; E117-K121 PolarHBondContact O-N 3.02Å; E117-K121 VanDerWaalsContact O-N 3.1Å
118L92Very high89.2Confident119 Ų11993.4 Ų93.462%0.62347%0.474SS*.Hα-helixtrans-69.8-41.7175.7-75.7171.9000111.8T114 A115 E116 K121 R122T114-L118 WeakPolarHBondContact O-CB 3.24Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 3.06Å; T114-L118 VanDerWaalsContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.35Å; E116-L118 VanDerWaalsContact C-N 3.35Å; E116-L118 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 2.87Å; L118-R122 WeakPolarHBondContact O-CB 3.12Å; L118-R122 PolarHBondContact O-N 3.27Å
119E92Very high89Confident71 Ų7195.7 Ų95.733%0.33248%0.483SS..Hα-helixtrans-67.4-41.1178.2-178.760-167.600111.4A115 E116 K121 R122 Q123A115-E119 VanDerWaalsContact O-CB 3.24Å; A115-E119 WeakPolarHBondContact O-CB 3.36Å; A115-E119 PolarHBondContact O-N 3.02Å; E116-E119 PolarHBondContact O-N 2.85Å; E119-K121 PolarHBondContact O-N 3.35Å; E119-R122 VanDerWaalsContact CD-NH2 3.3Å; E119-R122 PolarHBondContact O-N 3.3Å; E119-R122 IonicContact OE1-CZ 3.12Å; E119-R122 IonicContact OE1-NE 2.65Å; E119-R122 IonicContact OE1-NH2 3.46Å; E119-R122 PolarHBondContact OE1-NH2 3.43Å; E119-R122 IonicContact OE2-CZ 3.83Å; E119-R122 IonicContact OE2-NE 3.55Å; E119-R122 PolarHBondContact OE2-NE 3.25Å; E119-R122 IonicContact OE2-NH2 3.08Å; E119-R122 PolarHBondContact OE2-NH2 3Å; E119-R122 VanDerWaalsContact OE2-NH2 3.15Å; E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.34Å; E119-Q123 PolarHBondContact O-N 3.37Å; E119-Q123 PolarHBondContact OE1-NE2 3.3Å
120A93.6Very high89.2Confident54 Ų5489 Ų8945%0.44646%0.455SS..Hα-helixtrans-63.4-40.4174.700000112E116 Q123 A124E116-A120 VanDerWaalsContact O-CB 3.22Å; E116-A120 WeakPolarHBondContact O-CB 3.49Å; E116-A120 PolarHBondContact O-N 3.49Å; A120-Q123 PolarHBondContact O-N 2.94Å; A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.48Å
121K93.6Very high89.4Confident127 Ų12788.8 Ų88.855%0.55247%0.468SS*.Hα-helixtrans-62.5-45.1173.4-76.6173-176.91790111.8E117 L118 E119 Q123 A124 E125E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 VanDerWaalsContact O-CG 3.24Å; E117-K121 WeakPolarHBondContact O-CG 3.4Å; E117-K121 PolarHBondContact O-N 3.02Å; E117-K121 VanDerWaalsContact O-N 3.1Å; L118-K121 PolarHBondContact O-N 2.87Å; E119-K121 PolarHBondContact O-N 3.35Å; K121-Q123 PolarHBondContact O-N 2.91Å; K121-A124 PolarHBondContact O-N 3.44Å; K121-E125 WeakPolarHBondContact O-CB 3.46Å; K121-E125 VanDerWaalsContact O-CG 3.32Å; K121-E125 WeakPolarHBondContact O-CG 3.32Å; K121-E125 PolarHBondContact O-N 3.09Å
122R93.2Very high89.4Confident115 Ų11592.4 Ų92.443%0.43448%0.478SS..Hα-helixtrans-60.8-44.3176.4-173.8-176.873.491.8-4.7111.7L118 E119 E125 E126L118-R122 WeakPolarHBondContact O-CB 3.12Å; L118-R122 PolarHBondContact O-N 3.27Å; E119-R122 VanDerWaalsContact CD-NH2 3.3Å; E119-R122 PolarHBondContact O-N 3.3Å; E119-R122 IonicContact OE1-CZ 3.12Å; E119-R122 IonicContact OE1-NE 2.65Å; E119-R122 IonicContact OE1-NH2 3.46Å; E119-R122 PolarHBondContact OE1-NH2 3.43Å; E119-R122 IonicContact OE2-CZ 3.83Å; E119-R122 IonicContact OE2-NE 3.55Å; E119-R122 PolarHBondContact OE2-NE 3.25Å; E119-R122 IonicContact OE2-NH2 3.08Å; E119-R122 PolarHBondContact OE2-NH2 3Å; E119-R122 VanDerWaalsContact OE2-NH2 3.15Å; R122-E125 PolarHBondContact O-N 2.93Å; R122-E126 IonicContact CZ-OE1 3.27Å; R122-E126 IonicContact NH1-OE1 4Å; R122-E126 PolarHBondContact NH1-OE1 3.03Å; R122-E126 WeakPolarHBondContact O-CG 3.41Å; R122-E126 PolarHBondContact O-N 3.35Å
123Q91.7Very high89.6Confident90 Ų9089.7 Ų89.742%0.42147%0.465SS..Hα-helixtrans-64.9-42.9177.3-72.4176.21000111.6E119 A120 K121 E126 E127E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.34Å; E119-Q123 PolarHBondContact O-N 3.37Å; E119-Q123 PolarHBondContact OE1-NE2 3.3Å; A120-Q123 PolarHBondContact O-N 2.94Å; K121-Q123 PolarHBondContact O-N 2.91Å; Q123-E126 PolarHBondContact O-N 2.77Å; Q123-E127 WeakPolarHBondContact O-CB 3.39Å; Q123-E127 VanDerWaalsContact O-CG 3.32Å; Q123-E127 WeakPolarHBondContact O-CG 3.22Å; Q123-E127 PolarHBondContact O-N 2.74Å
124A93.2Very high89.9Confident42 Ų4290 Ų9035%0.34748%0.475SS..Hα-helixtrans-62.4-43.8175.900000112.1A120 K121 E126 E127 E128A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.48Å; K121-A124 PolarHBondContact O-N 3.44Å; A124-E126 PolarHBondContact O-N 3.48Å; A124-E127 PolarHBondContact O-N 3.27Å; A124-E128 WeakPolarHBondContact O-CB 3.49Å; A124-E128 WeakPolarHBondContact O-CG 3.33Å; A124-E128 PolarHBondContact O-N 2.77Å
125E90.7Very high90.1Very high121 Ų12193.5 Ų93.557%0.56549%0.49SS*.Hα-helixtrans-60.3-43.8174.1-73.1170.3-166.500111.3K121 R122 E128 E129K121-E125 WeakPolarHBondContact O-CB 3.46Å; K121-E125 VanDerWaalsContact O-CG 3.32Å; K121-E125 WeakPolarHBondContact O-CG 3.32Å; K121-E125 PolarHBondContact O-N 3.09Å; R122-E125 PolarHBondContact O-N 2.93Å; E125-E128 PolarHBondContact O-N 3.08Å; E125-E129 WeakPolarHBondContact O-CB 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.35Å; E125-E129 PolarHBondContact O-N 3.32Å
126E88.4Confident90.2Very high62 Ų6294.7 Ų94.729%0.2949%0.485SS..Hα-helixtrans-63.1-41.2174.7-76.1-178.9-153.300112.5R122 Q123 A124 E129 L130 K140R122-E126 IonicContact CZ-OE1 3.27Å; R122-E126 IonicContact NH1-OE1 4Å; R122-E126 PolarHBondContact NH1-OE1 3.03Å; R122-E126 WeakPolarHBondContact O-CG 3.41Å; R122-E126 PolarHBondContact O-N 3.35Å; Q123-E126 PolarHBondContact O-N 2.77Å; A124-E126 PolarHBondContact O-N 3.48Å; E126-E129 PolarHBondContact O-N 3.04Å; E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 WeakPolarHBondContact O-CD1 3.49Å; E126-L130 WeakPolarHBondContact O-CG 3.49Å; E126-L130 PolarHBondContact O-N 2.92Å; E126-K140 IonicContact OE2-NZ 3.63Å; E126-K140 PolarHBondContact OE2-NZ 3.43Å
127E88.1Confident90.2Very high127 Ų12792.9 Ų92.959%0.59348%0.479SS*.Hα-helixtrans-66.7-41.5177.7-75.7176.4-171.500111.9Q123 A124 L130 A131Q123-E127 WeakPolarHBondContact O-CB 3.39Å; Q123-E127 VanDerWaalsContact O-CG 3.32Å; Q123-E127 WeakPolarHBondContact O-CG 3.22Å; Q123-E127 PolarHBondContact O-N 2.74Å; A124-E127 PolarHBondContact O-N 3.27Å; E127-L130 PolarHBondContact O-N 3.18Å; E127-A131 VanDerWaalsContact O-CB 3.25Å; E127-A131 WeakPolarHBondContact O-CB 3.24Å; E127-A131 PolarHBondContact O-N 3.17Å
128E88.8Confident90.3Very high128 Ų12893.2 Ų93.260%0.59848%0.483SS*.Hα-helixtrans-62.5-43.7173.8-74.8179.2-171.100111.2A124 E125 L130 A131 N132A124-E128 WeakPolarHBondContact O-CB 3.49Å; A124-E128 WeakPolarHBondContact O-CG 3.33Å; A124-E128 PolarHBondContact O-N 2.77Å; E125-E128 PolarHBondContact O-N 3.08Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.33Å; E128-A131 PolarHBondContact O-N 3.48Å; E128-N132 WeakPolarHBondContact O-CB 3.35Å; E128-N132 PolarHBondContact O-N 3.07Å; E128-N132 PolarHBondContact O-ND2 2.94Å
129E86.2Confident90.3Very high103 Ų10393 Ų9348%0.48148%0.479SS..Hα-helixtrans-62.1-38.4174.9-75.5-175.6174.800112.7E125 E126 N133 K136E125-E129 WeakPolarHBondContact O-CB 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.35Å; E125-E129 PolarHBondContact O-N 3.32Å; E126-E129 PolarHBondContact O-N 3.04Å; E129-N133 PolarHBondContact O-N 3.43Å; E129-K136 IonicContact OE2-NZ 2.93Å; E129-K136 PolarHBondContact OE2-NZ 3.02Å
130L86.9Confident90.3Very high22 Ų2293.1 Ų93.112%0.11548%0.478CS..Hα-helixtrans-73.9-36.2177.3-69.4166.9000112.1E126 E127 E128 N133 K136 L137 K140E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 WeakPolarHBondContact O-CD1 3.49Å; E126-L130 WeakPolarHBondContact O-CG 3.49Å; E126-L130 PolarHBondContact O-N 2.92Å; E127-L130 PolarHBondContact O-N 3.18Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.33Å; L130-N133 CarbonylContact O-C 3.6Å; L130-N133 PolarHBondContact O-N 3.48Å; L130-N133 VanDerWaalsContact O-O 3.07Å; L130-K136 HydrophobicContact CD2-CB 4.36Å; L130-K136 HydrophobicContact CD2-CD 4.29Å; L130-K136 HydrophobicContact CD2-CG 3.95Å; L130-L137 HydrophobicContact CB-CD1 4.26Å; L130-L137 HydrophobicContact CD2-CB 4.4Å; L130-L137 HydrophobicContact CD2-CD1 4.38Å; L130-K140 HydrophobicContact CD1-CD 3.74Å; L130-K140 HydrophobicContact CD2-CB 4.31Å; L130-K140 HydrophobicContact CD2-CD 3.96Å
131A85.9Confident90.3Very high83 Ų8399.5 Ų99.569%0.68649%0.491SS*.Hα-helixtrans-68.6-38176.900000111.6E127 E128 N133E127-A131 VanDerWaalsContact O-CB 3.25Å; E127-A131 WeakPolarHBondContact O-CB 3.24Å; E127-A131 PolarHBondContact O-N 3.17Å; E128-A131 PolarHBondContact O-N 3.48Å; A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 2.69Å
132N87.7Confident90.4Very high137 Ų13797.7 Ų97.773%0.73349%0.491SS*.Hα-helixtrans-69-26.9176.6-72.5-36000112.7E128E128-N132 WeakPolarHBondContact O-CB 3.35Å; E128-N132 PolarHBondContact O-N 3.07Å; E128-N132 PolarHBondContact O-ND2 2.94Å
133N89.3Confident90.5Very high79 Ų7996.4 Ų96.442%0.42249%0.492SS..  trans-130.398.3-176.5-163.7-49.9000112.7E129 L130 A131 M135 K136 L137E129-N133 PolarHBondContact O-N 3.43Å; L130-N133 CarbonylContact O-C 3.6Å; L130-N133 PolarHBondContact O-N 3.48Å; L130-N133 VanDerWaalsContact O-O 3.07Å; A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 2.69Å; N133-M135 PolarHBondContact O-N 3.37Å; N133-M135 WeakPolarHBondContact OD1-CB 3.32Å; N133-M135 PolarHBondContact OD1-N 3.36Å; N133-M135 VanDerWaalsContact OD1-N 3.08Å; N133-K136 HydrophobicContact CB-CB 3.99Å; N133-K136 WeakPolarHBondContact O-CB 3.32Å; N133-K136 PolarHBondContact O-N 3.33Å; N133-K136 VanDerWaalsContact O-N 3.16Å; N133-K136 PolarHBondContact OD1-N 3.11Å; N133-K136 VanDerWaalsContact OD1-N 3.09Å; N133-L137 PolarHBondContact O-N 3.46Å
134P90.3Very high90.7Very high91 Ų9196.9 Ų96.959%0.59150%0.495SS*.Hα-helixtrans-65.1-25.3-178.926.3-34.6000113.3L137 L138P134-L137 PolarHBondContact O-N 3.14Å; P134-L138 WeakPolarHBondContact O-CG 3.48Å; P134-L138 PolarHBondContact O-N 3.49Å; P134-L138 VanDerWaalsContact O-N 3.16Å
135M91.7Very high90.9Very high115 Ų11597.6 Ų97.657%0.56750%0.497SS*.Hα-helixtrans-68.2-43.3175-69.9-61.6-58.700111.2N133 L137 L138 E139N133-M135 PolarHBondContact O-N 3.37Å; N133-M135 WeakPolarHBondContact OD1-CB 3.32Å; N133-M135 PolarHBondContact OD1-N 3.36Å; N133-M135 VanDerWaalsContact OD1-N 3.08Å; M135-L137 PolarHBondContact O-N 3.45Å; M135-L138 PolarHBondContact O-N 3.16Å; M135-L138 VanDerWaalsContact O-N 3.11Å; M135-L138 HydrophobicContact SD-CD1 4.46Å; M135-E139 WeakPolarHBondContact O-CG 3.48Å; M135-E139 PolarHBondContact O-N 2.89Å
136K90.2Very high91.2Very high81 Ų8197.1 Ų97.135%0.35249%0.493SS..Hα-helixtrans-60.4-36.2175.7-167.8-178.8-179.7178.40111.8E129 L130 N133 E139 K140E129-K136 IonicContact OE2-NZ 2.93Å; E129-K136 PolarHBondContact OE2-NZ 3.02Å; L130-K136 HydrophobicContact CD2-CB 4.36Å; L130-K136 HydrophobicContact CD2-CD 4.29Å; L130-K136 HydrophobicContact CD2-CG 3.95Å; N133-K136 HydrophobicContact CB-CB 3.99Å; N133-K136 WeakPolarHBondContact O-CB 3.32Å; N133-K136 PolarHBondContact O-N 3.33Å; N133-K136 VanDerWaalsContact O-N 3.16Å; N133-K136 PolarHBondContact OD1-N 3.11Å; N133-K136 VanDerWaalsContact OD1-N 3.09Å; K136-E139 PolarHBondContact O-N 3.47Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.21Å
137L91.1Very high91.6Very high93 Ų93100.3 Ų100.349%0.48751%0.508SS..Hα-helixtrans-63.6-44.5174-177.170000112.2L130 N133 P134 M135 K140 R141L130-L137 HydrophobicContact CB-CD1 4.26Å; L130-L137 HydrophobicContact CD2-CB 4.4Å; L130-L137 HydrophobicContact CD2-CD1 4.38Å; N133-L137 PolarHBondContact O-N 3.46Å; P134-L137 PolarHBondContact O-N 3.14Å; M135-L137 PolarHBondContact O-N 3.45Å; L137-K140 PolarHBondContact O-N 2.94Å; L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 PolarHBondContact O-N 3.3Å
138L91.2Very high92Very high98 Ų98100 Ų10051%0.51351%0.506SS..Hα-helixtrans-65.9-39.4176.4-70.2173.3000112.2P134 M135 R141 T142P134-L138 WeakPolarHBondContact O-CG 3.48Å; P134-L138 PolarHBondContact O-N 3.49Å; P134-L138 VanDerWaalsContact O-N 3.16Å; M135-L138 PolarHBondContact O-N 3.16Å; M135-L138 VanDerWaalsContact O-N 3.11Å; M135-L138 HydrophobicContact SD-CD1 4.46Å; L138-R141 PolarHBondContact O-N 2.81Å; L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 PolarHBondContact O-N 3.23Å; L138-T142 PolarHBondContact O-OG1 3.09Å
139E92.5Very high92.4Very high113 Ų11399 Ų9953%0.52850%0.503SS..Hα-helixtrans-59.8-51.6173.4-73.1173.2-179.700110.7M135 K136 R141 T142 D143M135-E139 WeakPolarHBondContact O-CG 3.48Å; M135-E139 PolarHBondContact O-N 2.89Å; K136-E139 PolarHBondContact O-N 3.47Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.42Å; E139-T142 PolarHBondContact O-N 3.08Å; E139-T142 VanDerWaalsContact O-N 3.08Å; E139-D143 WeakPolarHBondContact O-CB 3.34Å; E139-D143 PolarHBondContact O-N 3.49Å
140K92Very high92.9Very high74 Ų7498.5 Ų98.532%0.32250%0.501SS..Hα-helixtrans-58.2-41.5177.9-169.4174.4-175.7174.40112E126 L130 K136 L137 Q144E126-K140 IonicContact OE2-NZ 3.63Å; E126-K140 PolarHBondContact OE2-NZ 3.43Å; L130-K140 HydrophobicContact CD1-CD 3.74Å; L130-K140 HydrophobicContact CD2-CB 4.31Å; L130-K140 HydrophobicContact CD2-CD 3.96Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.21Å; L137-K140 PolarHBondContact O-N 2.94Å; K140-Q144 WeakPolarHBondContact O-CB 3.13Å; K140-Q144 VanDerWaalsContact O-CG 3.26Å; K140-Q144 WeakPolarHBondContact O-CG 3.44Å; K140-Q144 PolarHBondContact O-N 3.16Å
141R92.9Very high93.4Very high188 Ų188102.9 Ų102.971%0.70952%0.522SS*.Hα-helixtrans-64.6-41.5176.4-174.1-177.7-177.7108.52.3112L137 L138 E139 S145L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 PolarHBondContact O-N 3.3Å; L138-R141 PolarHBondContact O-N 2.81Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.42Å; R141-S145 PolarHBondContact O-N 3.28Å
142T95.9Very high93.9Very high90 Ų90102.4 Ų102.455%0.55251%0.511SS*.Hα-helixtrans-68.7-42.6179.1-55.50000110.8L138 E139 S145 K146L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 PolarHBondContact O-N 3.23Å; L138-T142 PolarHBondContact O-OG1 3.09Å; E139-T142 PolarHBondContact O-N 3.08Å; E139-T142 VanDerWaalsContact O-N 3.08Å; T142-S145 PolarHBondContact O-N 3.28Å; T142-K146 WeakPolarHBondContact O-CB 3.4Å; T142-K146 PolarHBondContact O-N 2.66Å
143D95.7Very high94.3Very high87 Ų87101.5 Ų101.547%0.46550%0.502SS..Hα-helixtrans-64.6-41.5176.6-73.3-21.5000111.9E139 K146 Q147E139-D143 WeakPolarHBondContact O-CB 3.34Å; E139-D143 PolarHBondContact O-N 3.49Å; D143-K146 PolarHBondContact O-N 3.35Å; D143-Q147 WeakPolarHBondContact O-CB 3.32Å; D143-Q147 VanDerWaalsContact O-CG 3.29Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 2.79Å
144Q96Very high94.7Very high100 Ų100101.5 Ų101.547%0.46751%0.505SS..Hα-helixtrans-59.5-48.8172.6-78.5176.8-12.400111.3K140 K146 Q147 E148K140-Q144 WeakPolarHBondContact O-CB 3.13Å; K140-Q144 VanDerWaalsContact O-CG 3.26Å; K140-Q144 WeakPolarHBondContact O-CG 3.44Å; K140-Q144 PolarHBondContact O-N 3.16Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; Q144-Q147 PolarHBondContact O-N 3.44Å; Q144-E148 WeakPolarHBondContact O-CG 3.37Å; Q144-E148 PolarHBondContact O-N 2.97Å
145S96.7Very high95Very high58 Ų58100.8 Ų100.841%0.40650%0.495SS..Hα-helixtrans-61.3-37.7177.1-178.60000112.1R141 T142 E148 M149R141-S145 PolarHBondContact O-N 3.28Å; T142-S145 PolarHBondContact O-N 3.28Å; S145-E148 PolarHBondContact O-N 2.91Å; S145-M149 WeakPolarHBondContact O-CG 3.24Å; S145-M149 PolarHBondContact O-N 3.15Å
146K97.5Very high95.2Very high111 Ų111100.2 Ų100.248%0.48349%0.491SS..Hα-helixtrans-65.8-46.5175.9-177.5178.6170.6-176.40112.1T142 D143 Q144 E148 M149 E150T142-K146 WeakPolarHBondContact O-CB 3.4Å; T142-K146 PolarHBondContact O-N 2.66Å; D143-K146 PolarHBondContact O-N 3.35Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 PolarHBondContact O-N 3.45Å; K146-M149 HydrophobicContact CB-CE 4.47Å; K146-M149 PolarHBondContact O-N 2.94Å; K146-E150 WeakPolarHBondContact CE-OE1 3.15Å; K146-E150 IonicContact NZ-OE1 4Å; K146-E150 WeakPolarHBondContact O-CG 3.22Å; K146-E150 PolarHBondContact O-N 3.36Å
147Q97.2Very high95.5Very high128 Ų128100.8 Ų100.860%0.59850%0.498SS*.Hα-helixtrans-61.5-38.9176.4-73.1174.111.100111.9D143 Q144 M151D143-Q147 WeakPolarHBondContact O-CB 3.32Å; D143-Q147 VanDerWaalsContact O-CG 3.29Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 2.79Å; Q144-Q147 PolarHBondContact O-N 3.44Å; Q147-M151 VanDerWaalsContact O-CB 3.27Å; Q147-M151 WeakPolarHBondContact O-CB 3.44Å; Q147-M151 PolarHBondContact O-N 2.85Å
148E96.8Very high95.6Very high120 Ų120100.7 Ų100.756%0.56150%0.498SS*.Hα-helixtrans-64.3-44.1175-74175.4-175.400111.8Q144 S145 K146 M151 V152Q144-E148 WeakPolarHBondContact O-CG 3.37Å; Q144-E148 PolarHBondContact O-N 2.97Å; S145-E148 PolarHBondContact O-N 2.91Å; K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 PolarHBondContact O-N 3.45Å; E148-M151 PolarHBondContact O-N 3.29Å; E148-V152 VanDerWaalsContact O-CG2 3.3Å; E148-V152 WeakPolarHBondContact O-CG2 3.28Å; E148-V152 PolarHBondContact O-N 2.94Å
149M96.8Very high95.7Very high108 Ų108101.9 Ų101.953%0.53250%0.498SS..Hα-helixtrans-61.3-48.9175.1-72.4-176.1-65.500111.7S145 K146 M151 V152 E153S145-M149 WeakPolarHBondContact O-CG 3.24Å; S145-M149 PolarHBondContact O-N 3.15Å; K146-M149 HydrophobicContact CB-CE 4.47Å; K146-M149 PolarHBondContact O-N 2.94Å; M149-M151 VanDerWaalsContact C-N 3.3Å; M149-M151 PolarHBondContact O-N 3.45Å; M149-V152 PolarHBondContact O-N 2.97Å; M149-V152 VanDerWaalsContact O-N 3.16Å; M149-E153 WeakPolarHBondContact O-CG 3.13Å; M149-E153 PolarHBondContact O-N 2.84Å
150E97.1Very high95.7Very high93 Ų93100.4 Ų100.444%0.43549%0.492SS..Hα-helixtrans-59.8-40.3177.5-71.5174.6-175.100111.7K146 E153 V154K146-E150 WeakPolarHBondContact CE-OE1 3.15Å; K146-E150 IonicContact NZ-OE1 4Å; K146-E150 WeakPolarHBondContact O-CG 3.22Å; K146-E150 PolarHBondContact O-N 3.36Å; E150-E153 PolarHBondContact O-N 3.48Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.42Å; E150-V154 PolarHBondContact O-N 3.46Å
151M96.7Very high95.6Very high114 Ų114100.5 Ų100.556%0.56250%0.495SS*.Hα-helixtrans-65.5-38.8177.1-177.9169.759.800112Q147 E148 M149 I155Q147-M151 VanDerWaalsContact O-CB 3.27Å; Q147-M151 WeakPolarHBondContact O-CB 3.44Å; Q147-M151 PolarHBondContact O-N 2.85Å; E148-M151 PolarHBondContact O-N 3.29Å; M149-M151 VanDerWaalsContact C-N 3.3Å; M149-M151 PolarHBondContact O-N 3.45Å; M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.48Å; M151-I155 WeakPolarHBondContact O-CG1 3.47Å; M151-I155 PolarHBondContact O-N 3.26Å
152V97.2Very high95.4Very high73 Ų7396.3 Ų96.344%0.44249%0.487SS..Hα-helixtrans-65.8-45.4176171.50000110.9E148 M149 V154 I155 E156E148-V152 VanDerWaalsContact O-CG2 3.3Å; E148-V152 WeakPolarHBondContact O-CG2 3.28Å; E148-V152 PolarHBondContact O-N 2.94Å; M149-V152 PolarHBondContact O-N 2.97Å; M149-V152 VanDerWaalsContact O-N 3.16Å; V152-V154 PolarHBondContact O-N 3.25Å; V152-I155 PolarHBondContact O-N 2.98Å; V152-I155 VanDerWaalsContact O-N 3.15Å; V152-E156 HydrophobicContact CG1-CG 4.48Å; V152-E156 WeakPolarHBondContact O-CG 3.46Å; V152-E156 PolarHBondContact O-N 3.48Å
153E96.4Very high95Very high118 Ų11898.6 Ų98.655%0.55149%0.491SS*.Hα-helixtrans-57.8-46.8175.9-70.8175.4-17400111.6M149 E150 I155 E156 D157M149-E153 WeakPolarHBondContact O-CG 3.13Å; M149-E153 PolarHBondContact O-N 2.84Å; E150-E153 PolarHBondContact O-N 3.48Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 3.33Å; E153-E156 PolarHBondContact O-N 3.42Å; E153-E156 VanDerWaalsContact O-N 3.15Å; E153-D157 PolarHBondContact O-N 3.48Å
154V96.6Very high94.5Very high79 Ų79102.2 Ų102.248%0.47950%0.499SS..Hα-helixtrans-60.1-40.1176.6170.90000111.6E150 V152 L158E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.42Å; E150-V154 PolarHBondContact O-N 3.46Å; V152-V154 PolarHBondContact O-N 3.25Å; V154-L158 HydrophobicContact CG1-CD1 4.16Å; V154-L158 WeakPolarHBondContact O-CB 3.3Å; V154-L158 VanDerWaalsContact O-CG 3.28Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 2.6Å
155I96.3Very high93.8Very high75 Ų75103.1 Ų103.139%0.38550%0.503SS..Hα-helixtrans-66.9-40.2177.3-70.9165000110.9M151 V152 E153 K159M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CD1 3.48Å; M151-I155 WeakPolarHBondContact O-CG1 3.47Å; M151-I155 PolarHBondContact O-N 3.26Å; V152-I155 PolarHBondContact O-N 2.98Å; V152-I155 VanDerWaalsContact O-N 3.15Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 3.33Å; I155-K159 HydrophobicContact CG2-CD 4.12Å; I155-K159 WeakPolarHBondContact O-CB 3.25Å; I155-K159 VanDerWaalsContact O-CG 3.27Å; I155-K159 WeakPolarHBondContact O-CG 3.29Å; I155-K159 PolarHBondContact O-N 2.88Å
156E96.2Very high92.7Very high103 Ų103104.3 Ų104.348%0.48152%0.516SS..Hα-helixtrans-65.3-44.1177.2-72.4-178.3176.700111.8V152 E153 L158 K159 Q160V152-E156 HydrophobicContact CG1-CG 4.48Å; V152-E156 WeakPolarHBondContact O-CG 3.46Å; V152-E156 PolarHBondContact O-N 3.48Å; E153-E156 PolarHBondContact O-N 3.42Å; E153-E156 VanDerWaalsContact O-N 3.15Å; E156-L158 PolarHBondContact O-N 2.86Å; E156-K159 WeakPolarHBondContact O-CB 3.17Å; E156-K159 PolarHBondContact O-N 3.47Å; E156-Q160 WeakPolarHBondContact O-CG 3.27Å; E156-Q160 PolarHBondContact O-N 2.65Å
157D95.8Very high91.3Very high93 Ų93104.8 Ų104.850%0.49753%0.528SS..Hα-helixtrans-60.8-45.1175.4-78.7-12.6000112E153 K159 Q160 L161E153-D157 PolarHBondContact O-N 3.48Å; D157-K159 VanDerWaalsContact C-N 3.33Å; D157-K159 PolarHBondContact O-N 2.81Å; D157-Q160 PolarHBondContact O-N 3.28Å; D157-L161 WeakPolarHBondContact O-CB 3.12Å; D157-L161 WeakPolarHBondContact O-CG 2.78Å; D157-L161 PolarHBondContact O-N 3.49Å
158L93.9Very high89.8Confident92 Ų92105 Ų10548%0.48253%0.531SS..Hα-helixtrans-63-39.6175.7-74.3175.2000112V154 E156 L161 N162V154-L158 HydrophobicContact CG1-CD1 4.16Å; V154-L158 WeakPolarHBondContact O-CB 3.3Å; V154-L158 VanDerWaalsContact O-CG 3.28Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 2.6Å; E156-L158 PolarHBondContact O-N 2.86Å; L158-L161 PolarHBondContact O-N 3.37Å; L158-N162 WeakPolarHBondContact O-CB 3.36Å; L158-N162 VanDerWaalsContact O-CG 3.25Å; L158-N162 PolarHBondContact O-N 3.42Å; L158-N162 PolarHBondContact O-ND2 2.88Å
159K93.7Very high88.2Confident122 Ų122104.9 Ų104.953%0.5353%0.53SS..Hα-helixtrans-63.5-43.7174.6-77.5173.1179.5175.10111.3I155 E156 D157 N162 Q163I155-K159 HydrophobicContact CG2-CD 4.12Å; I155-K159 WeakPolarHBondContact O-CB 3.25Å; I155-K159 VanDerWaalsContact O-CG 3.27Å; I155-K159 WeakPolarHBondContact O-CG 3.29Å; I155-K159 PolarHBondContact O-N 2.88Å; E156-K159 WeakPolarHBondContact O-CB 3.17Å; E156-K159 PolarHBondContact O-N 3.47Å; D157-K159 VanDerWaalsContact C-N 3.33Å; D157-K159 PolarHBondContact O-N 2.81Å; K159-N162 PolarHBondContact O-N 3.2Å; K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 VanDerWaalsContact O-CG 3.25Å; K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.87Å
160Q92.7Very high87Confident83 Ų83102.7 Ų102.739%0.38853%0.53SS..Hα-helixtrans-64.6-42.5177.2-71-179.73100112E156 D157 Q163 R164E156-Q160 WeakPolarHBondContact O-CG 3.27Å; E156-Q160 PolarHBondContact O-N 2.65Å; D157-Q160 PolarHBondContact O-N 3.28Å; Q160-Q163 PolarHBondContact O-N 3.46Å; Q160-R164 WeakPolarHBondContact O-CG 3.42Å; Q160-R164 PolarHBondContact O-N 2.91Å
161L90.2Very high85.8Confident75 Ų75104 Ų10439%0.39354%0.54SS..Hα-helixtrans-61.3-46.6174.8-74.9172.9000111.3D157 L158 Q163 R164 Q165D157-L161 WeakPolarHBondContact O-CB 3.12Å; D157-L161 WeakPolarHBondContact O-CG 2.78Å; D157-L161 PolarHBondContact O-N 3.49Å; L158-L161 PolarHBondContact O-N 3.37Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 3.38Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-Q165 WeakPolarHBondContact O-CB 3.46Å; L161-Q165 VanDerWaalsContact O-CG 3.32Å; L161-Q165 WeakPolarHBondContact O-CG 3.32Å; L161-Q165 PolarHBondContact O-N 2.98Å
162N88.2Confident84.6Confident101 Ų101103.7 Ų103.754%0.5454%0.537SS..Hα-helixtrans-62.2-39.9176.8-76.5-20.4000111.9L158 K159 Q165 A166L158-N162 WeakPolarHBondContact O-CB 3.36Å; L158-N162 VanDerWaalsContact O-CG 3.25Å; L158-N162 PolarHBondContact O-N 3.42Å; L158-N162 PolarHBondContact O-ND2 2.88Å; K159-N162 PolarHBondContact O-N 3.2Å; N162-Q165 PolarHBondContact O-N 3.1Å; N162-A166 VanDerWaalsContact O-CB 3.31Å; N162-A166 WeakPolarHBondContact O-CB 3.32Å; N162-A166 PolarHBondContact O-N 3.36Å
163Q87.8Confident83.6Confident137 Ų137103.6 Ų103.664%0.6454%0.536SS*.Hα-helixtrans-64.4-41175.2-74.7171.86.400112.3K159 Q160 L161 A166K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 VanDerWaalsContact O-CG 3.25Å; K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.87Å; Q160-Q163 PolarHBondContact O-N 3.46Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 3.38Å; Q163-A166 PolarHBondContact O-N 3.08Å
164R84.7Confident82.8Confident164 Ų164102.8 Ų102.862%0.61954%0.535SS*.Hα-helixtrans-67.4-39.1174.9-70.2176.4-169.5157.49.3112.1Q160 L161 T167Q160-R164 WeakPolarHBondContact O-CG 3.42Å; Q160-R164 PolarHBondContact O-N 2.91Å; L161-R164 PolarHBondContact O-N 2.92Å; R164-T167 PolarHBondContact O-OG1 2.86Å
165Q81.3Confident82.2Confident119 Ų119103.1 Ų103.156%0.55653%0.533SS*.Hα-helixtrans-75.3-26.3178.8-72.2178.9-3.100112.1L161 N162 T167 M168L161-Q165 WeakPolarHBondContact O-CB 3.46Å; L161-Q165 VanDerWaalsContact O-CG 3.32Å; L161-Q165 WeakPolarHBondContact O-CG 3.32Å; L161-Q165 PolarHBondContact O-N 2.98Å; N162-Q165 PolarHBondContact O-N 3.1Å; Q165-T167 PolarHBondContact O-N 3.46Å; Q165-T167 VanDerWaalsContact O-N 3.08Å; Q165-M168 CarbonylContact O-C 3.37Å; Q165-M168 WeakPolarHBondContact O-CA 3.42Å; Q165-M168 PolarHBondContact O-N 3.09Å
166A74.2Confident81.6Confident82 Ų82107.7 Ų107.768%0.67855%0.546SS*.THydrogen-bonded Turntrans-58.2-25.8178.400000113.4N162 Q163N162-A166 VanDerWaalsContact O-CB 3.31Å; N162-A166 WeakPolarHBondContact O-CB 3.32Å; N162-A166 PolarHBondContact O-N 3.36Å; Q163-A166 PolarHBondContact O-N 3.08Å
167T67.9Low81Confident121 Ų121107.2 Ų107.274%0.74254%0.544SS*.THydrogen-bonded Turntrans-78.3-23.2173.759.30000113.7R164 Q165R164-T167 PolarHBondContact O-OG1 2.86Å; Q165-T167 PolarHBondContact O-N 3.46Å; Q165-T167 VanDerWaalsContact O-N 3.08Å
168M64.5Low80.5Confident132 Ų132108.3 Ų108.365%0.6555%0.547SS*.SBendtrans-94.5100.9173.7-64.2-164.8177.800106.9Q165 A170Q165-M168 CarbonylContact O-C 3.37Å; Q165-M168 WeakPolarHBondContact O-CA 3.42Å; Q165-M168 PolarHBondContact O-N 3.09Å; M168-A170 VanDerWaalsContact C-N 3.32Å; M168-A170 PolarHBondContact O-N 2.97Å
169E65.2Low80.1Confident118 Ų118111.3 Ų111.355%0.55155%0.552SS**  trans-57.1102.2173.5-62.7167113.900107.8D171 H172 V173E169-D171 PolarHBondContact O-N 2.91Å; E169-D171 VanDerWaalsContact O-N 3.08Å; E169-H172 HydrophobicContact CB-CB 4.1Å; E169-H172 WeakPolarHBondContact CB-CD2 3.47Å; E169-H172 PolarHBondContact O-N 3.39Å; E169-H172 IonicContact OE1-CD2 3.72Å; E169-H172 IonicContact OE1-CE1 3.09Å; E169-H172 IonicContact OE1-NE2 3.75Å; E169-H172 PolarHBondContact OE1-NE2 3.1Å; E169-H172 IonicContact OE2-CD2 3.44Å; E169-H172 PolarHBondContact OE2-CD2 3.05Å; E169-H172 IonicContact OE2-CE1 3.55Å; E169-H172 PolarHBondContact OE2-CE1 3.17Å; E169-H172 VanDerWaalsContact OE2-CE1 3.23Å; E169-H172 IonicContact OE2-CG 2.88Å; E169-H172 IonicContact OE2-ND1 3.7Å; E169-H172 IonicContact OE2-NE2 2.65Å; E169-H172 PolarHBondContact OE2-NE2 3.18Å; E169-V173 PolarHBondContact O-N 3.33Å
170A70.2Confident79.8Confident63 Ų63112.7 Ų112.752%0.52155%0.554SS.*Hα-helixtrans-53.8-34.9-176.500000110M168 H172 V173 L174M168-A170 VanDerWaalsContact C-N 3.32Å; M168-A170 PolarHBondContact O-N 2.97Å; A170-H172 PolarHBondContact O-N 3.27Å; A170-V173 PolarHBondContact O-N 3.4Å; A170-L174 WeakPolarHBondContact O-CB 3.4Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 3.22Å
171D71.6Confident79.5Confident121 Ų121114.4 Ų114.465%0.64756%0.562SS**Hα-helixtrans-57.1-43.9173.1-67-4.4000112.5E169 L174 L175E169-D171 PolarHBondContact O-N 2.91Å; E169-D171 VanDerWaalsContact O-N 3.08Å; D171-L174 PolarHBondContact O-N 3.38Å; D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.41Å; D171-L175 PolarHBondContact O-N 3.09Å
172H72.8Confident79.3Confident107 Ų107115.3 Ų115.350%0.49556%0.564SS.*Hα-helixtrans-73.8-34.8-178.4-71.3-115.1000112.6E169 A170 R176E169-H172 HydrophobicContact CB-CB 4.1Å; E169-H172 WeakPolarHBondContact CB-CD2 3.47Å; E169-H172 PolarHBondContact O-N 3.39Å; E169-H172 IonicContact OE1-CD2 3.72Å; E169-H172 IonicContact OE1-CE1 3.09Å; E169-H172 IonicContact OE1-NE2 3.75Å; E169-H172 PolarHBondContact OE1-NE2 3.1Å; E169-H172 IonicContact OE2-CD2 3.44Å; E169-H172 PolarHBondContact OE2-CD2 3.05Å; E169-H172 IonicContact OE2-CE1 3.55Å; E169-H172 PolarHBondContact OE2-CE1 3.17Å; E169-H172 VanDerWaalsContact OE2-CE1 3.23Å; E169-H172 IonicContact OE2-CG 2.88Å; E169-H172 IonicContact OE2-ND1 3.7Å; E169-H172 IonicContact OE2-NE2 2.65Å; E169-H172 PolarHBondContact OE2-NE2 3.18Å; A170-H172 PolarHBondContact O-N 3.27Å; H172-R176 VanDerWaalsContact O-CB 3.25Å; H172-R176 WeakPolarHBondContact O-CB 3.37Å; H172-R176 PolarHBondContact O-N 3.22Å
173V76.2Confident79.4Confident70 Ų70117 Ų11742%0.42457%0.569SS.*Hα-helixtrans-67-43.6174.3179.50000110.4E169 A170 R176 Q177E169-V173 PolarHBondContact O-N 3.33Å; A170-V173 PolarHBondContact O-N 3.4Å; V173-R176 PolarHBondContact O-N 3.37Å; V173-Q177 WeakPolarHBondContact O-CG 3.25Å; V173-Q177 PolarHBondContact O-N 2.84Å
174L79.7Confident79.5Confident101 Ų101113.5 Ų113.553%0.52956%0.563SS.*Hα-helixtrans-62-47.8174.5-72.7170.6000111A170 D171 R176 Q177 M178A170-L174 WeakPolarHBondContact O-CB 3.4Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 3.22Å; D171-L174 PolarHBondContact O-N 3.38Å; L174-R176 VanDerWaalsContact C-N 3.28Å; L174-R176 PolarHBondContact O-N 3.34Å; L174-Q177 PolarHBondContact O-N 3.44Å; L174-Q177 VanDerWaalsContact O-N 3.12Å; L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.47Å; L174-M178 PolarHBondContact O-N 2.82Å
175L83.5Confident79.7Confident86 Ų86111 Ų11145%0.4556%0.562SS.*Hα-helixtrans-58.6-40.5177.8-133.366.8000111.9D171 Q177 M178 W179D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.41Å; D171-L175 PolarHBondContact O-N 3.09Å; L175-Q177 VanDerWaalsContact C-N 3.34Å; L175-Q177 PolarHBondContact O-N 3.05Å; L175-M178 PolarHBondContact O-N 2.9Å; L175-W179 HydrophobicContact CD2-CH2 3.7Å; L175-W179 HydrophobicContact CD2-CZ2 3.54Å; L175-W179 HydrophobicContact CD2-CZ3 4.48Å; L175-W179 HydrophobicContact CG-CH2 4.26Å; L175-W179 HydrophobicContact CG-CZ2 3.9Å; L175-W179 WeakPolarHBondContact O-CB 3.32Å; L175-W179 VanDerWaalsContact O-CG 3.31Å; L175-W179 PolarHBondContact O-N 2.92Å
176R82.6Confident80Confident172 Ų172110 Ų11065%0.64956%0.555SS**Hα-helixtrans-71.1-26.9179-163.7177.5-164.5-174.16.2113.5H172 V173 L174 R180H172-R176 VanDerWaalsContact O-CB 3.25Å; H172-R176 WeakPolarHBondContact O-CB 3.37Å; H172-R176 PolarHBondContact O-N 3.22Å; V173-R176 PolarHBondContact O-N 3.37Å; L174-R176 VanDerWaalsContact C-N 3.28Å; L174-R176 PolarHBondContact O-N 3.34Å; R176-R180 PolarHBondContact O-N 3.26Å; R176-R180 PolarHBondContact O-NE 2.78Å
177Q84.2Confident80.7Confident93 Ų93110.4 Ų110.444%0.43554%0.543SS..Hα-helixtrans-74-47.4170.9-73.6178.5-2.600110.1V173 L174 L175 W179 R180 E181V173-Q177 WeakPolarHBondContact O-CG 3.25Å; V173-Q177 PolarHBondContact O-N 2.84Å; L174-Q177 PolarHBondContact O-N 3.44Å; L174-Q177 VanDerWaalsContact O-N 3.12Å; L175-Q177 VanDerWaalsContact C-N 3.34Å; L175-Q177 PolarHBondContact O-N 3.05Å; Q177-W179 VanDerWaalsContact C-N 3.32Å; Q177-W179 PolarHBondContact O-N 2.82Å; Q177-R180 PolarHBondContact O-N 3.19Å; Q177-R180 VanDerWaalsContact O-N 3.09Å; Q177-E181 PolarHBondContact O-N 3.28Å
178M84.5Confident81.7Confident115 Ų115106.6 Ų106.657%0.56752%0.524SS*.Hα-helixtrans-55.9-45.1176.2-68-63.5-59.300112L174 L175 R180 E181 E182L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.47Å; L174-M178 PolarHBondContact O-N 2.82Å; L175-M178 PolarHBondContact O-N 2.9Å; M178-R180 PolarHBondContact O-N 3Å; M178-E181 PolarHBondContact O-N 3.14Å; M178-E182 WeakPolarHBondContact O-CB 3.41Å; M178-E182 PolarHBondContact O-N 3.44Å
179W85.9Confident82.7Confident156 Ų156105.9 Ų105.959%0.59152%0.519SS*.Hα-helixtrans-64.5-36.7177.1-70.8-27.7000113.3L175 Q177 E182 E183L175-W179 HydrophobicContact CD2-CH2 3.7Å; L175-W179 HydrophobicContact CD2-CZ2 3.54Å; L175-W179 HydrophobicContact CD2-CZ3 4.48Å; L175-W179 HydrophobicContact CG-CH2 4.26Å; L175-W179 HydrophobicContact CG-CZ2 3.9Å; L175-W179 WeakPolarHBondContact O-CB 3.32Å; L175-W179 VanDerWaalsContact O-CG 3.31Å; L175-W179 PolarHBondContact O-N 2.92Å; Q177-W179 VanDerWaalsContact C-N 3.32Å; Q177-W179 PolarHBondContact O-N 2.82Å; W179-E182 PolarHBondContact O-N 2.84Å; W179-E183 VanDerWaalsContact O-CB 3.31Å; W179-E183 WeakPolarHBondContact O-CB 2.97Å; W179-E183 PolarHBondContact O-N 2.85Å
180R87.2Confident83.7Confident150 Ų150105.6 Ų105.657%0.56652%0.516SS*.Hα-helixtrans-68.5-39.3175.8-91.9-174.7-74.6170.3-4.9112.4R176 Q177 M178 A184R176-R180 PolarHBondContact O-N 3.26Å; R176-R180 PolarHBondContact O-NE 2.78Å; Q177-R180 PolarHBondContact O-N 3.19Å; Q177-R180 VanDerWaalsContact O-N 3.09Å; M178-R180 PolarHBondContact O-N 3Å; R180-A184 VanDerWaalsContact O-CB 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 2.61Å
181E86.5Confident84.6Confident119 Ų119108.8 Ų108.856%0.55652%0.52SS*.Hα-helixtrans-65.2-42.3174.7-70.6179.5179.100110.9Q177 M178 A184 L185Q177-E181 PolarHBondContact O-N 3.28Å; M178-E181 PolarHBondContact O-N 3.14Å; E181-A184 PolarHBondContact O-N 2.94Å; E181-L185 WeakPolarHBondContact O-CB 3.38Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.84Å
182E87.4Confident85.3Confident94 Ų94109.2 Ų109.244%0.43952%0.518SS..Hα-helixtrans-65.8-38177.3-161.4-173.7157.900112.4M178 W179 K186M178-E182 WeakPolarHBondContact O-CB 3.41Å; M178-E182 PolarHBondContact O-N 3.44Å; W179-E182 PolarHBondContact O-N 2.84Å; E182-K186 WeakPolarHBondContact O-CG 3.18Å; E182-K186 PolarHBondContact O-N 2.95Å; E182-K186 WeakPolarHBondContact OE1-CE 3.38Å; E182-K186 IonicContact OE1-NZ 3.67Å; E182-K186 PolarHBondContact OE1-NZ 2.73Å
183E88.8Confident85.9Confident137 Ų137108.6 Ų108.664%0.6452%0.519SS*.Hα-helixtrans-70.8-40.2176.9-167.2167.7-146.800112W179 K186 E187W179-E183 VanDerWaalsContact O-CB 3.31Å; W179-E183 WeakPolarHBondContact O-CB 2.97Å; W179-E183 PolarHBondContact O-N 2.85Å; E183-K186 PolarHBondContact O-N 2.81Å; E183-E187 PolarHBondContact O-N 3.48Å
184A90Very high86.3Confident63 Ų63109.6 Ų109.652%0.52152%0.522SS..Hα-helixtrans-65.2-39174.500000112.3R180 E181 E187 A188R180-A184 VanDerWaalsContact O-CB 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 2.61Å; E181-A184 PolarHBondContact O-N 2.94Å; A184-E187 PolarHBondContact O-N 3.41Å; A184-A188 WeakPolarHBondContact O-CB 3.48Å; A184-A188 PolarHBondContact O-N 2.81Å
185L89Confident86.7Confident112 Ų112107.1 Ų107.159%0.58652%0.516SS*.Hα-helixtrans-63.4-45.4173.3-76.8172.2000111.4E181 E187 A188 E189E181-L185 WeakPolarHBondContact O-CB 3.38Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.84Å; L185-E187 VanDerWaalsContact C-N 3.3Å; L185-E187 PolarHBondContact O-N 3.14Å; L185-A188 PolarHBondContact O-N 2.78Å; L185-E189 WeakPolarHBondContact O-CG 3.44Å; L185-E189 PolarHBondContact O-N 2.81Å
186K88.3Confident86.7Confident98 Ų98107.4 Ų107.443%0.42652%0.517SS..Hα-helixtrans-62.2-36.7176.6-77.2172.3-173.2160.10112.6E182 E183 K190E182-K186 WeakPolarHBondContact O-CG 3.18Å; E182-K186 PolarHBondContact O-N 2.95Å; E182-K186 WeakPolarHBondContact OE1-CE 3.38Å; E182-K186 IonicContact OE1-NZ 3.67Å; E182-K186 PolarHBondContact OE1-NZ 2.73Å; E183-K186 PolarHBondContact O-N 2.81Å; K186-K190 VanDerWaalsContact O-CG 3.29Å; K186-K190 WeakPolarHBondContact O-CG 3.22Å; K186-K190 PolarHBondContact O-N 3.33Å; K186-K190 VanDerWaalsContact O-N 3.07Å
187E89.1Confident86.7Confident90 Ų90103.4 Ų103.442%0.42151%0.508SS..Hα-helixtrans-71.9-39.8177.9-161.362.8-166.600111.8E183 A184 L185 K190 E191E183-E187 PolarHBondContact O-N 3.48Å; A184-E187 PolarHBondContact O-N 3.41Å; L185-E187 VanDerWaalsContact C-N 3.3Å; L185-E187 PolarHBondContact O-N 3.14Å; E187-K190 PolarHBondContact O-N 2.86Å; E187-K190 IonicContact OE2-NZ 2.87Å; E187-K190 PolarHBondContact OE2-NZ 2.86Å; E187-E191 WeakPolarHBondContact O-CG 3.2Å; E187-E191 PolarHBondContact O-N 2.87Å
188A88.5Confident86.7Confident41 Ų41106.1 Ų106.134%0.33952%0.518SS..Hα-helixtrans-61.7-43.5172.700000112A184 L185 K190 E191 E192A184-A188 WeakPolarHBondContact O-CB 3.48Å; A184-A188 PolarHBondContact O-N 2.81Å; L185-A188 PolarHBondContact O-N 2.78Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 2.84Å; A188-E191 PolarHBondContact O-N 2.81Å; A188-E192 WeakPolarHBondContact O-CG 3.25Å; A188-E192 PolarHBondContact O-N 2.79Å
189E86.2Confident86.6Confident118 Ų118107.1 Ų107.155%0.55152%0.522SS*.Hα-helixtrans-59.9-41.3174.5-75.1176.7176.600111.7L185 E192 D193L185-E189 WeakPolarHBondContact O-CG 3.44Å; L185-E189 PolarHBondContact O-N 2.81Å; E189-E192 PolarHBondContact O-N 3.44Å; E189-D193 WeakPolarHBondContact O-CB 3.34Å; E189-D193 PolarHBondContact O-N 3.42Å
190K86.1Confident86.2Confident111 Ų111105.2 Ų105.248%0.48352%0.522SS..Hα-helixtrans-66.8-40.1175.1-72176.8-145152.70112.8K186 E187 A188 E192 D193 D194K186-K190 VanDerWaalsContact O-CG 3.29Å; K186-K190 WeakPolarHBondContact O-CG 3.22Å; K186-K190 PolarHBondContact O-N 3.33Å; K186-K190 VanDerWaalsContact O-N 3.07Å; E187-K190 PolarHBondContact O-N 2.86Å; E187-K190 IonicContact OE2-NZ 2.87Å; E187-K190 PolarHBondContact OE2-NZ 2.86Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 2.84Å; K190-E192 VanDerWaalsContact C-N 3.33Å; K190-D193 PolarHBondContact O-N 3.03Å; K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 PolarHBondContact O-N 2.84Å
191E87.9Confident85.7Confident130 Ų130103.4 Ų103.461%0.60752%0.523SS*.Hα-helixtrans-64.7-39.3176.8-76.2-176.2178.200111.4E187 A188 A195E187-E191 WeakPolarHBondContact O-CG 3.2Å; E187-E191 PolarHBondContact O-N 2.87Å; A188-E191 PolarHBondContact O-N 2.81Å; E191-A195 VanDerWaalsContact O-CB 3.24Å; E191-A195 WeakPolarHBondContact O-CB 3.27Å; E191-A195 PolarHBondContact O-N 2.74Å
192E86Confident85.2Confident130 Ų130100.1 Ų100.161%0.60752%0.517SS*.Hα-helixtrans-63.3-44.9172.6-72.4178-175.200111.4A188 E189 K190 A195 L196A188-E192 WeakPolarHBondContact O-CG 3.25Å; A188-E192 PolarHBondContact O-N 2.79Å; E189-E192 PolarHBondContact O-N 3.44Å; K190-E192 VanDerWaalsContact C-N 3.33Å; E192-A195 PolarHBondContact O-N 2.85Å; E192-L196 WeakPolarHBondContact O-CB 3.19Å; E192-L196 PolarHBondContact O-N 3.23Å
193D85.7Confident84.2Confident94 Ų9498.1 Ų98.150%0.50351%0.513SS..Hα-helixtrans-64.2-44.5176-79.8-16.8000111.9E189 K190 A195 L196 I197E189-D193 WeakPolarHBondContact O-CB 3.34Å; E189-D193 PolarHBondContact O-N 3.42Å; K190-D193 PolarHBondContact O-N 3.03Å; D193-A195 VanDerWaalsContact C-N 3.35Å; D193-A195 PolarHBondContact O-N 2.99Å; D193-L196 WeakPolarHBondContact O-CB 3.47Å; D193-L196 PolarHBondContact O-N 3.36Å; D193-I197 WeakPolarHBondContact O-CB 3.1Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.27Å
194D85.1Confident82.7Confident92 Ų9298.5 Ų98.549%0.49251%0.512SS..Hα-helixtrans-66.7-35.5178-83.4-11.8000111.9K190 K198K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 PolarHBondContact O-N 2.84Å; D194-K198 WeakPolarHBondContact O-CB 3.35Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 2.94Å
195A87.2Confident80.9Confident49 Ų4999.7 Ų99.741%0.40552%0.517SS..Hα-helixtrans-65.7-45.617200000111.1E191 E192 D193 I197 K198 E199E191-A195 VanDerWaalsContact O-CB 3.24Å; E191-A195 WeakPolarHBondContact O-CB 3.27Å; E191-A195 PolarHBondContact O-N 2.74Å; E192-A195 PolarHBondContact O-N 2.85Å; D193-A195 VanDerWaalsContact C-N 3.35Å; D193-A195 PolarHBondContact O-N 2.99Å; A195-I197 VanDerWaalsContact C-N 3.34Å; A195-I197 PolarHBondContact O-N 2.84Å; A195-K198 PolarHBondContact O-N 3.24Å; A195-E199 PolarHBondContact O-N 3.48Å
196L85.4Confident79.1Confident91 Ų91102.2 Ų102.248%0.47653%0.526SS..Hα-helixtrans-59.2-42.6173.4-92.6163.7000112.1E192 D193 E199 L200E192-L196 WeakPolarHBondContact O-CB 3.19Å; E192-L196 PolarHBondContact O-N 3.23Å; D193-L196 WeakPolarHBondContact O-CB 3.47Å; D193-L196 PolarHBondContact O-N 3.36Å; L196-E199 PolarHBondContact O-N 2.87Å; L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.2Å
197I82.2Confident77.2Confident88 Ų88105.2 Ų105.245%0.45154%0.541SS..Hα-helixtrans-63.7-42.5176.8-70163.4000110.5D193 A195 L200 L201D193-I197 WeakPolarHBondContact O-CB 3.1Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.27Å; A195-I197 VanDerWaalsContact C-N 3.34Å; A195-I197 PolarHBondContact O-N 2.84Å; I197-L200 PolarHBondContact O-N 3.48Å; I197-L201 HydrophobicContact CG2-CD1 3.9Å; I197-L201 HydrophobicContact CG2-CG 4.4Å; I197-L201 WeakPolarHBondContact O-CB 3.46Å; I197-L201 WeakPolarHBondContact O-CG 3.28Å; I197-L201 PolarHBondContact O-N 2.84Å
198K84.2Confident74.9Confident151 Ų151106.1 Ų106.166%0.65755%0.552SS**Hα-helixtrans-63.3-43175.9-77.6172.5-173.5165.10112.2D194 A195 L201 A202D194-K198 WeakPolarHBondContact O-CB 3.35Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 2.94Å; A195-K198 PolarHBondContact O-N 3.24Å; K198-L201 PolarHBondContact O-N 3.05Å; K198-A202 WeakPolarHBondContact O-CB 3.49Å; K198-A202 PolarHBondContact O-N 3.29Å
199E81.4Confident72.6Confident136 Ų136113.2 Ų113.264%0.63658%0.578SS**Hα-helixtrans-63.5-42.7175.7-75.3-173.9173.600112.1A195 L196 A202 S203A195-E199 PolarHBondContact O-N 3.48Å; L196-E199 PolarHBondContact O-N 2.87Å; E199-A202 PolarHBondContact O-N 3.26Å; E199-S203 PolarHBondContact O-N 3.43Å; E199-S203 PolarHBondContact O-OG 2.93Å
200L77.7Confident70.1Confident115 Ų115112.7 Ų112.760%0.60259%0.587SS**Hα-helixtrans-66-37.4176.3-75.7171.2000112.7L196 I197 S203 K204L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.2Å; I197-L200 PolarHBondContact O-N 3.48Å; L200-S203 WeakPolarHBondContact CA-OG 3.44Å; L200-S203 PolarHBondContact O-OG 3.07Å; L200-K204 VanDerWaalsContact O-CB 3.24Å; L200-K204 WeakPolarHBondContact O-CB 3.16Å; L200-K204 PolarHBondContact O-N 3.37Å
201L77.6Confident67.6Low112 Ų112115.5 Ų115.559%0.58661%0.607SS**Hα-helixtrans-70.4-39.3175.7-75.9171.6000112.1I197 K198 K204 S205I197-L201 HydrophobicContact CG2-CD1 3.9Å; I197-L201 HydrophobicContact CG2-CG 4.4Å; I197-L201 WeakPolarHBondContact O-CB 3.46Å; I197-L201 WeakPolarHBondContact O-CG 3.28Å; I197-L201 PolarHBondContact O-N 2.84Å; K198-L201 PolarHBondContact O-N 3.05Å; L201-K204 PolarHBondContact O-N 3.47Å; L201-S205 PolarHBondContact O-N 3.36Å
202A75.1Confident65.4Low51 Ų51114.4 Ų114.442%0.42161%0.611SS.*Hα-helixtrans-61.8-49175.300000111.1K198 E199 K204 S205 E206K198-A202 WeakPolarHBondContact O-CB 3.49Å; K198-A202 PolarHBondContact O-N 3.29Å; E199-A202 PolarHBondContact O-N 3.26Å; A202-K204 VanDerWaalsContact C-N 3.29Å; A202-K204 PolarHBondContact O-N 3.03Å; A202-S205 PolarHBondContact O-N 3.47Å; A202-S205 VanDerWaalsContact O-N 3.13Å; A202-S205 PolarHBondContact O-OG 2.65Å; A202-E206 PolarHBondContact O-N 3.01Å
203S67Low63Low51 Ų51115.6 Ų115.636%0.35762%0.621SS.*Hα-helixtrans-67.2-27.2177.645.90000113.4E199 L200 Q207E199-S203 PolarHBondContact O-N 3.43Å; E199-S203 PolarHBondContact O-OG 2.93Å; L200-S203 WeakPolarHBondContact CA-OG 3.44Å; L200-S203 PolarHBondContact O-OG 3.07Å; S203-Q207 PolarHBondContact O-N 2.79Å
204K57.9Low60.6Low145 Ų145119 Ų11963%0.6363%0.634SS**Hα-helixtrans-76.7-29.6172-158.4161-171173.70112.9L200 L201 A202 E206 Q207 V208L200-K204 VanDerWaalsContact O-CB 3.24Å; L200-K204 WeakPolarHBondContact O-CB 3.16Å; L200-K204 PolarHBondContact O-N 3.37Å; L201-K204 PolarHBondContact O-N 3.47Å; A202-K204 VanDerWaalsContact C-N 3.29Å; A202-K204 PolarHBondContact O-N 3.03Å; K204-E206 VanDerWaalsContact C-N 3.33Å; K204-Q207 PolarHBondContact O-N 2.85Å; K204-V208 VanDerWaalsContact O-CG2 3.26Å; K204-V208 WeakPolarHBondContact O-CG2 3.49Å
205S50.9Low58Low88 Ų88124.5 Ų124.562%0.61565%0.654SS**Hα-helixtrans-71.5-27173.771.70000113L201 A202L201-S205 PolarHBondContact O-N 3.36Å; A202-S205 PolarHBondContact O-N 3.47Å; A202-S205 VanDerWaalsContact O-N 3.13Å; A202-S205 PolarHBondContact O-OG 2.65Å
206E51.7Low55.4Low166 Ų166125.2 Ų125.278%0.77667%0.666SS**Hα-helixtrans-79.5-16.8173-82.5173.2154.200114A202 K204A202-E206 PolarHBondContact O-N 3.01Å; K204-E206 VanDerWaalsContact C-N 3.33Å
207Q47.4Very low52.8Low161 Ų161124.4 Ų124.475%0.75268%0.679SS**THydrogen-bonded Turntrans-96.64.5176.5-72.6-178.310.300114.3S203 K204S203-Q207 PolarHBondContact O-N 2.79Å; K204-Q207 PolarHBondContact O-N 2.85Å
208V42.7Very low50.5Low108 Ų108128.4 Ų128.466%0.65570%0.696SS**  trans-108.654.1179.4-174.30000110.8K204K204-V208 VanDerWaalsContact O-CG2 3.26Å; K204-V208 WeakPolarHBondContact O-CG2 3.49Å
209H39.3Very low48.1Very low191 Ų191128 Ų12888%0.88470%0.701SS**SBendtrans-147.148.3159.2-133.557.2000112.6
210S33Very low46Very low106 Ų106126.5 Ų126.574%0.74171%0.706SS**  trans-167.3113.2154.858.60000111.1
211L35Very low44Very low170 Ų170126.4 Ų126.489%0.8972%0.715SS**  trans-133.1159.3161.6-69.9173.7000106.5
212P40.3Very low42.6Very low108 Ų108131.9 Ų131.970%0.70173%0.728SS**  cis-128.9170.2-45.933.5-17.2000111.6
213L37.1Very low40.9Very low154 Ų154134.9 Ų134.981%0.80674%0.743SS**  trans169.2130.4142.1-91.6149.7000114.7
214E33.7Very low39.6Very low167 Ų167140.6 Ų140.678%0.7877%0.768SS**  trans76.5106.5152.5-50.6-95.8149.500119.8
215F32Very low38.7Very low206 Ų206142.7 Ų142.790%0.90478%0.777SS**  156.2118108.8-164-102.7000113.1
216G32.5Very low38.3Very low65 Ų65146.7 Ų146.767%0.6779%0.788SS**  trans71.6108.3135.800000121.2
217G31.3Very low38.2Very low73 Ų73144.8 Ų144.875%0.75379%0.79SS**  92.1103.111800000119.6
218E33.2Very low38.1Very low173 Ų173140.7 Ų140.781%0.80878%0.783SS**  trans78.5114.8133.3-70.7-173.1178.500122
219N33.4Very low38.1Very low141 Ų141142.6 Ų142.675%0.75479%0.789SS**  trans78.9108.1130.3-57.4-20.6000119.4
220S37.8Very low38.4Very low105 Ų105141.7 Ų141.773%0.73478%0.783SS**  144.3112.2106.8-167.80000112.5
221S34.8Very low38.9Very low113 Ų113143.1 Ų143.179%0.7978%0.782SS**  trans-51129.4169.649.30000113.8
222R48.1Very low39.4Very low227 Ų227142.2 Ų142.286%0.85778%0.777SS**  trans-140.6130.2155.9-68.6-171.4179.5-147-0.6110.3
223P39.5Very low39.8Very low115 Ų115145.3 Ų145.375%0.74779%0.785SS**  trans-79.5129.9175.532.4-29.8000109.2K225P223-K225 PolarHBondContact O-N 3.15Å
224I41.1Very low40.2Very low171 Ų171146.5 Ų146.588%0.87778%0.783SS**  trans-72.8113170.3-62172.2000107
225K39Very low40.6Very low188 Ų188142.4 Ų142.482%0.81778%0.778SS**PPolyproline II helixtrans-73.3120.1177.3-70.4172177.1173.70109.1P223P223-K225 PolarHBondContact O-N 3.15Å
226M41.4Very low40.8Very low173 Ų173139.2 Ų139.285%0.85277%0.77SS**PPolyproline II helixtrans-65.7138.3162.9-66-148.2-69.500109.4
227P50.1Low41.1Very low126 Ų126145.8 Ų145.882%0.81878%0.78SS**PPolyproline II helixtrans-65.1138.1179.227.1-31.8000109.9
228A44Very low41.5Very low74 Ų74151.1 Ų151.161%0.61278%0.783SS**PPolyproline II helixtrans-65.4135.8-177.400000111.1K230A228-K230 PolarHBondContact O-N 3.14Å
229L43.6Very low42Very low149 Ų149151 Ų15178%0.7878%0.782SS**THydrogen-bonded Turntrans-61.926.7178-159.8125.1000114.8
230K45.9Very low42.4Very low172 Ų172150 Ų15075%0.74878%0.784SS**THydrogen-bonded Turntrans-108.9-7.5-175-69.2-175.2177.7179.80114.3A228A228-K230 PolarHBondContact O-N 3.14Å
231D43.3Very low42.7Very low135 Ų135150.6 Ų150.672%0.72278%0.782SS**SBendtrans-101.4-11-179.8-68.7-30.8000114.7
232L46.5Very low43Very low152 Ų152151.1 Ų151.180%0.79677%0.772SS**THydrogen-bonded Turntrans-83.3-7.9176.6-82.3144.1000114.5
233M47.2Very low42.8Very low173 Ų173146.4 Ų146.485%0.85276%0.763SS**THydrogen-bonded Turntrans-90.50.1178-81.2-179.9152.800114.5
234K45.2Very low43Very low179 Ų179143.8 Ų143.878%0.77876%0.757SS**SBendtrans-105.6-5.7-178-89.1168178.5169.20115.4
235A42Very low43.2Very low81 Ų81141.7 Ų141.767%0.66974%0.741SS**SBendtrans-99.3-5.3-174.100000115.7
236N36.6Very low43.8Very low138 Ų138136.1 Ų136.174%0.73873%0.726SS**  trans-114.448-178.4-79-30.4000113.8K238N236-K238 VanDerWaalsContact C-N 3.34Å; N236-K238 PolarHBondContact O-N 3.07Å
237K38.5Very low44.1Very low204 Ų204135.3 Ų135.389%0.88772%0.715SS**  trans-93.271.9155.4-78.9-176.5177.4-178.30108.6
238K40.7Very low44.2Very low184 Ų184134.5 Ų134.580%0.870%0.703SS**  trans-81.3116160.1-73.5-178.2-178.7174.30106.3N236N236-K238 VanDerWaalsContact C-N 3.34Å; N236-K238 PolarHBondContact O-N 3.07Å
239E42.4Very low44.4Very low172 Ų172137.7 Ų137.780%0.80470%0.703SS**PPolyproline II helixtrans-51.2143.7173.6-66.2-167.5153.500110.1V241E239-V241 PolarHBondContact O-N 2.84Å
240P42.6Very low45Very low120 Ų120140.3 Ų140.378%0.77970%0.702SS**PPolyproline II helixtrans-58117.6-179.624.3-32.3000109.1E242P240-E242 PolarHBondContact O-N 3.15Å; P240-E242 VanDerWaalsContact O-N 3.14Å
241V43.9Very low45.4Very low117 Ų117138 Ų13871%0.70969%0.694SS**PPolyproline II helixtrans-57.7119.9177.6-173.30000107.7E239 I243E239-V241 PolarHBondContact O-N 2.84Å; V241-I243 HydrophobicContact CB-CD1 4.11Å; V241-I243 HydrophobicContact CB-CG1 3.98Å; V241-I243 HydrophobicContact CG1-CD1 3.86Å; V241-I243 HydrophobicContact CG1-CG1 3.5Å; V241-I243 VanDerWaalsContact CG1-CG1 3.5Å; V241-I243 PolarHBondContact O-N 3.15Å
242E42.3Very low46.1Very low123 Ų123137.9 Ų137.958%0.57569%0.693SS**  trans-69.958.6-177.4-59.9-166.3136.600112.6P240 G244 K245P240-E242 PolarHBondContact O-N 3.15Å; P240-E242 VanDerWaalsContact O-N 3.14Å; E242-G244 VanDerWaalsContact C-N 3.25Å; E242-G244 PolarHBondContact O-N 2.91Å; E242-K245 HydrophobicContact CB-CB 4.48Å; E242-K245 HydrophobicContact CB-CD 4.36Å; E242-K245 HydrophobicContact CG-CD 4.38Å; E242-K245 PolarHBondContact O-N 2.93Å; E242-K245 IonicContact OE1-NZ 3.23Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å
243I42.8Very low46.3Very low128 Ų128137.3 Ų137.366%0.65669%0.686SS**Hα-helixtrans-73.6-19.6-175.1-59176.3000111.4V241 S246V241-I243 HydrophobicContact CB-CD1 4.11Å; V241-I243 HydrophobicContact CB-CG1 3.98Å; V241-I243 HydrophobicContact CG1-CD1 3.86Å; V241-I243 HydrophobicContact CG1-CG1 3.5Å; V241-I243 VanDerWaalsContact CG1-CG1 3.5Å; V241-I243 PolarHBondContact O-N 3.15Å; I243-S246 PolarHBondContact O-OG 3.05Å
244G43.5Very low46.1Very low60 Ų60132.4 Ų132.462%0.61968%0.68SS**Hα-helixtrans-87-14.6177.900000115.9E242E242-G244 VanDerWaalsContact C-N 3.25Å; E242-G244 PolarHBondContact O-N 2.91Å
245K45.3Very low46.1Very low128 Ų128129.4 Ų129.456%0.55768%0.676SS**Hα-helixtrans-91.8-21.3-178.2-64.1-178.7-170.4169.90112.7E242 K249E242-K245 HydrophobicContact CB-CB 4.48Å; E242-K245 HydrophobicContact CB-CD 4.36Å; E242-K245 HydrophobicContact CG-CD 4.38Å; E242-K245 PolarHBondContact O-N 2.93Å; E242-K245 IonicContact OE1-NZ 3.23Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å; K245-K249 WeakPolarHBondContact O-CB 3.32Å; K245-K249 PolarHBondContact O-N 2.79Å; K245-K249 VanDerWaalsContact O-N 3.17Å
246S51.7Low45.9Very low71 Ų71133 Ų13350%0.49768%0.683SS.*Hα-helixtrans-77.4-32.9-175.863.20000113.2I243 R250I243-S246 PolarHBondContact O-OG 3.05Å; S246-R250 WeakPolarHBondContact O-CB 3.46Å; S246-R250 PolarHBondContact O-N 3.09Å; S246-R250 VanDerWaalsContact O-N 3.07Å
247Y48.3Very low45.9Very low156 Ų156138.6 Ų138.661%0.61269%0.694SS**Hα-helixtrans-69.5-48.5179.2-172-99.3000112K249 R250 Q251Y247-K249 PolarHBondContact O-N 3Å; Y247-R250 PolarHBondContact O-N 3.23Å; Y247-Q251 PolarHBondContact O-N 2.91Å
248L51.5Low46.1Very low109 Ų109134.3 Ų134.357%0.57169%0.685SS**Hα-helixtrans-65.3-35.8174.6-93.3151.8000112.7R250 L252L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-L252 WeakPolarHBondContact O-CB 3.33Å; L248-L252 PolarHBondContact O-N 2.95Å
249K49.3Very low46Very low140 Ų140133.6 Ų133.661%0.60969%0.685SS**Hα-helixtrans-72.8-23.8178-162.5172.8-169.1176.60113K245 Y247 Q253K245-K249 WeakPolarHBondContact O-CB 3.32Å; K245-K249 PolarHBondContact O-N 2.79Å; K245-K249 VanDerWaalsContact O-N 3.17Å; Y247-K249 PolarHBondContact O-N 3Å; K249-Q253 VanDerWaalsContact O-CB 3.24Å; K249-Q253 WeakPolarHBondContact O-CB 3.04Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 2.86Å; K249-Q253 PolarHBondContact O-OE1 3.04Å
250R55.2Low45.9Very low205 Ų205135.1 Ų135.177%0.77469%0.688SS**Hα-helixtrans-78.6-34.8175.4-125.9171.6166.9-126.8-1.2112.9S246 Y247 L248S246-R250 WeakPolarHBondContact O-CB 3.46Å; S246-R250 PolarHBondContact O-N 3.09Å; S246-R250 VanDerWaalsContact O-N 3.07Å; Y247-R250 PolarHBondContact O-N 3.23Å; L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 2.9Å
251Q55.3Low45.8Very low124 Ų124139.6 Ų139.658%0.57969%0.69SS**Hα-helixtrans-75.5-30.4175.4-75.9-178.3-33.200112.4Y247Y247-Q251 PolarHBondContact O-N 2.91Å
252L56.3Low45.5Very low131 Ų131139.9 Ų139.969%0.68669%0.694SS**G310 helixtrans-88.3-6.5176.3-72.4159.6000114.3L248 G254L248-L252 WeakPolarHBondContact O-CB 3.33Å; L248-L252 PolarHBondContact O-N 2.95Å; L252-G254 VanDerWaalsContact C-N 3.31Å; L252-G254 PolarHBondContact O-N 2.97Å
253Q51.9Low45.2Very low140 Ų140141 Ų14165%0.65471%0.709SS**G310 helixtrans-81-5.3177.4-99.4171.9-1400114.5K249K249-Q253 VanDerWaalsContact O-CB 3.24Å; K249-Q253 WeakPolarHBondContact O-CB 3.04Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 2.86Å; K249-Q253 PolarHBondContact O-OE1 3.04Å
254G43.3Very low45.1Very low70 Ų70139.5 Ų139.572%0.72271%0.71SS**G310 helixtrans-79.8-12.1177.100000115L252L252-G254 VanDerWaalsContact C-N 3.31Å; L252-G254 PolarHBondContact O-N 2.97Å
255V45.1Very low44.5Very low117 Ų117145.8 Ų145.871%0.70972%0.723SS**SBendtrans-140.386.8-171.3-173.70000109.3
256L37.5Very low44Very low156 Ų156146 Ų14682%0.81774%0.735SS**  trans161.487.6154-88.5158.2000110.2V258L256-V258 HydrophobicContact CD2-CG2 3.87Å; L256-V258 PolarHBondContact O-N 2.69Å
257R35.5Very low43.1Very low255 Ų255152.1 Ų152.196%0.96275%0.753SS**  trans-94.379.1165.3-129.1-175.4-170-174.63.5108.3
258V42.7Very low42.4Very low115 Ų115152.3 Ų152.370%0.69776%0.763SS**  trans-85.5111.7169.5177.70000108.4L256 K260L256-V258 HydrophobicContact CD2-CG2 3.87Å; L256-V258 PolarHBondContact O-N 2.69Å; V258-K260 PolarHBondContact O-N 3.06Å
259Q40.5Very low41.7Very low169 Ų169152.1 Ų152.179%0.7977%0.768SS**  trans-67.2108.2171.7-66.1-177.110.600109.6R261Q259-R261 PolarHBondContact O-N 2.99Å
260K39.3Very low40.9Very low203 Ų203154.3 Ų154.388%0.88378%0.777SS**  trans-75.9109.7161.3-93179.6174.6176.80108.5V258V258-K260 PolarHBondContact O-N 3.06Å
261R39.7Very low40.1Very low215 Ų215152.5 Ų152.581%0.81178%0.782SS**  trans-70.9137.9163.9-68-178.9-178.5-176.41.1109.1Q259Q259-R261 PolarHBondContact O-N 2.99Å
262P38.3Very low39.2Very low123 Ų123153.6 Ų153.680%0.79979%0.792SS**  trans-72.3131175.328.9-31.7000110.3S264P262-S264 PolarHBondContact O-N 3.14Å
263V36.5Very low37.9Very low146 Ų146150.3 Ų150.389%0.88579%0.79SS**  trans-72.4103.5171.9176.80000107.7
264S39.7Very low37.2Very low96 Ų96151.3 Ų151.367%0.67180%0.8SS**  trans-76.7130.4165.653.80000109.6P262 T266P262-S264 PolarHBondContact O-N 3.14Å; S264-T266 PolarHBondContact O-N 2.9Å; S264-T266 VanDerWaalsContact O-N 3.14Å
265E30.5Very low36.8Very low193 Ų193152.6 Ų152.690%0.90280%0.798SS**  trans-46.4106.8175-61.7169163.700112.7
266T35.5Very low36.4Very low131 Ų131155.9 Ų155.980%0.80481%0.805SS**  trans-101.8104.9162.530.20000109.8S264 I268S264-T266 PolarHBondContact O-N 2.9Å; S264-T266 VanDerWaalsContact O-N 3.14Å; T266-I268 PolarHBondContact O-N 2.94Å
267K33.7Very low36.2Very low200 Ų200152.5 Ų152.587%0.8780%0.8SS**PPolyproline II helixtrans-47.3125.6165-75.2169.7174.9174.30110.5P269K267-P269 WeakPolarHBondContact O-CD 3.2Å
268I34Very low36Very low161 Ų161146 Ų14683%0.82679%0.794SS**PPolyproline II helixtrans-71.3120.5166.9-58.8165.9000107.4T266T266-I268 PolarHBondContact O-N 2.94Å
269P36.6Very low35.8Very low105 Ų105145 Ų14568%0.68280%0.798SS**PPolyproline II helixtrans-80.5127.4169.331.4-26.9000108.9K267K267-P269 WeakPolarHBondContact O-CD 3.2Å
270K31.5Very low35.5Very low185 Ų185145.2 Ų145.280%0.80480%0.801SS**PPolyproline II helixtrans-64.9129.7162.9-66174.3178.4177.20107.7
271L38.1Very low35.6Very low167 Ų167143.4 Ų143.487%0.87480%0.801SS**  trans-119.5106.5161.5-74175.3000107.4
272D36Very low35.5Very low147 Ų147140.9 Ų140.979%0.78680%0.803SS**  trans-64.7151.9164.9-64.2-54.6000109.5
273G30.8Very low35.8Very low63 Ų63142.9 Ų142.965%0.64981%0.805SS**  trans-66.1160-177.200000113.3
274D37Very low35.7Very low160 Ų160143.2 Ų143.286%0.85680%0.802SS**  -177.4126.9126-86.7-22.7000110.7
275S34.7Very low35.8Very low97 Ų97144.6 Ų144.668%0.67881%0.806SS**  trans49.8134.5141.852.10000123.4
276E35.3Very low36.1Very low186 Ų186140.2 Ų140.287%0.86980%0.797SS**  trans107.5111.5134.3-83.4172-169.500121.6
277A34Very low36.3Very low85 Ų85141.9 Ų141.970%0.70280%0.801SS**  83.1107126.300000121.2
278S32.1Very low36.3Very low120 Ų120137.6 Ų137.684%0.83980%0.796SS**  64126118.9-570000121.8
279A36.9Very low36.6Very low93 Ų93135 Ų13577%0.76979%0.792SS**  124109.4127.500000116.4
280M36.3Very low36.8Very low174 Ų174135.7 Ų135.786%0.85780%0.795SS**  trans36.1128.3132.7-60.6-173.7160.700119.7
281N39.7Very low37.2Very low164 Ų164133.4 Ų133.488%0.87779%0.791SS**  -170.7135113.2-88.1-31.3000113.3
282N37.3Very low37.3Very low163 Ų163132.5 Ų132.587%0.87279%0.788SS**  trans-73.4146.6174.3-73.2-34.8000111.8
283I44.8Very low37.5Very low164 Ų164129.8 Ų129.884%0.84178%0.78SS**  trans-132.1123.9153.9-63.1179.4000108.5V285I283-V285 HydrophobicContact CG2-CG2 4.27Å
284N34.3Very low38.1Very low153 Ų153135 Ų13582%0.81879%0.792SS**  trans-108.1129179.6-15312.4000106.6
285V43.6Very low38.1Very low125 Ų125131.2 Ų131.276%0.75878%0.783SS**  trans-137.6114.6165.7-178.30000108.2I283I283-V285 HydrophobicContact CG2-CG2 4.27Å
286S35.8Very low38.7Very low101 Ų101135 Ų13571%0.70680%0.796SS**  trans-98.2141.4167.135.10000108
287N39.7Very low38.8Very low167 Ų167133.5 Ų133.589%0.89379%0.794SS**  trans-146.7138157.2-102.8-14.2000109.6
288S34Very low39.2Very low110 Ų110138.6 Ų138.677%0.76980%0.8SS**  trans-133.5134.8-169.248.30000108.5
289S40.4Very low39.6Very low105 Ų105137.6 Ų137.673%0.73479%0.793SS**  trans-175.6108.6163.633.40000110.3
290T40.4Very low39.7Very low120 Ų120142 Ų14274%0.73680%0.795SS**  69143.5108.659.50000115.9
291N39.2Very low40.1Very low137 Ų137140.4 Ų140.473%0.73379%0.79SS**  cis-179.3172.7-9.9-98.3-17.9000105.4
292N40.1Very low40Very low149 Ų149137.6 Ų137.680%0.79778%0.783SS**  trans97.4107.5165.6-58.7-9.1000115.2
293S41.4Very low39.9Very low89 Ų89137.1 Ų137.162%0.62278%0.78SS**  cis92.2116.549.675.20000113.3
294L42.4Very low39.8Very low172 Ų172135.8 Ų135.890%0.90178%0.78SS**  141.9129.7126.7-78.5151.4000113.7
295A37.5Very low39.8Very low82 Ų82135.8 Ų135.868%0.67878%0.78SS**  trans-90.2161.4-179.200000112
296N47.7Very low39.8Very low175 Ų175138.3 Ų138.394%0.93678%0.783SS**  trans-158.5121.3145.9-100.5-21.8000111.7
297D38.1Very low39.7Very low155 Ų155142.8 Ų142.883%0.82979%0.793SS**  trans-86.8149.2170.9-87.2-48.8000112
298K42.3Very low39.6Very low193 Ų193141 Ų14184%0.83979%0.788SS**  trans164.8112137.5-95.5172.7-178.71780111.1
299S38.9Very low39.5Very low98 Ų98140.5 Ų140.569%0.68578%0.784SS**  58.7138.1100.470.90000114.5
300K40.3Very low39.2Very low186 Ų186140.9 Ų140.981%0.80979%0.785SS**  cis-176.3170.36.8-122.2179.3-177.1178.50105.6
301D43.6Very low39Very low141 Ų141140.9 Ų140.975%0.75479%0.785SS**  trans109.2102.3153.1-55-30.6000120.6
302S38.2Very low38.8Very low104 Ų104138.8 Ų138.873%0.72778%0.781SS**  trans18.8125.3134.955.60000123.6
303N35.8Very low38.8Very low153 Ų153138.6 Ų138.682%0.81878%0.78SS**  70.3121.1116.8-147.511.8000118.9
304V41.9Very low38.6Very low137 Ų137140.7 Ų140.783%0.8379%0.785SS**  trans-177131.5137.8150.70000110
305N34.7Very low38.3Very low153 Ų153138.9 Ų138.982%0.81878%0.776SS**  trans-58.1143.9169.6-101.5-21000113.3
306Q43.2Very low38.2Very low177 Ų177142.6 Ų142.683%0.82779%0.785SS**  trans-162122.8140.9-116.6165.828.800112
307Q33.5Very low37.6Very low196 Ų196140 Ų14092%0.91678%0.775SS**  trans-80.2129.9159.4-74.6174.6-29.800108.2
308V38.7Very low37.6Very low129 Ų129138.4 Ų138.478%0.78278%0.776SS**  trans-150.2139.3155.7-132.20000110.1
309S31.5Very low37.6Very low100 Ų100134.5 Ų134.570%0.69977%0.769SS**  trans-77.2-179.2-177.347.70000114.5
310C33.8Very low37.6Very low112 Ų112138.3 Ų138.376%0.75778%0.775SS**  trans71.5139.3162.569.80000117.6
311T35.2Very low37.6Very low120 Ų120136.9 Ų136.974%0.73678%0.776SS**  cis-172.5156.2-1.719.50000106.9
312S35.5Very low37.6Very low93 Ų93140.4 Ų140.465%0.6578%0.78SS**  trans57.8116.2148.656.10000120.3
313D39.6Very low38.2Very low145 Ų145143.9 Ų143.978%0.77579%0.785SS**  173.6105.9112.1-78.7-18.3000111.3
314D37.8Very low39.2Very low134 Ų134142.4 Ų142.472%0.71778%0.784SS**  55120.3127.7-69.2-2.5000124.2
315N36.1Very low39.7Very low133 Ų133143.8 Ų143.871%0.71179%0.786SS**  trans75.8101.4133.5-59.7-30.4000120.5
316N34.6Very low40.5Very low161 Ų161142.7 Ų142.786%0.86179%0.787SS**  -171.2119.1109.9-102.8-29.6000112.2
317T36.8Very low40.6Very low121 Ų121137.8 Ų137.874%0.74278%0.783SS**  trans-100.5118176.3-52.40000108.9
318S38.1Very low41.3Very low121 Ų121135.5 Ų135.585%0.84677%0.774SS**  trans-120.272168.2-57.50000109
319T41Very low42.1Very low111 Ų111135.7 Ų135.768%0.68178%0.776SS**  trans-93.6107169.8-52.50000107.6L321T319-L321 PolarHBondContact O-N 3.21Å; T319-L321 VanDerWaalsContact O-N 3.09Å
320Q39.9Very low43.4Very low177 Ų177139.7 Ų139.783%0.82778%0.777SS**  trans-65.5107.1171.1-75.3-173.4-5.400109.5
321L39.9Very low44.6Very low156 Ų156138.9 Ų138.982%0.81777%0.772SS**  trans-77.4112.6169.3-96.2150000109.3T319 Q323T319-L321 PolarHBondContact O-N 3.21Å; T319-L321 VanDerWaalsContact O-N 3.09Å; L321-Q323 PolarHBondContact O-N 2.64Å
322Y43.1Very low45.9Very low215 Ų215140.2 Ų140.284%0.84378%0.775SS**  trans-76.3112.6159.6-91.9-95000108.6
323Q52.3Low47.1Very low178 Ų178143.6 Ų143.683%0.83278%0.78SS**PPolyproline II helixtrans-83.5129.7165.6-73.1-176.3-23.400109.4L321L321-Q323 PolarHBondContact O-N 2.64Å
324P55.3Low47.9Very low122 Ų122142.1 Ų142.179%0.79278%0.781SS**PPolyproline II helixtrans-81.7136.9168.514.7-0.4000110.4
325L52.3Low49.1Very low166 Ų166143.2 Ų143.287%0.86979%0.787SS**PPolyproline II helixtrans-54.8136.2171.8-73.9161.1000111
326P51.2Low50.2Low130 Ų130142.3 Ų142.384%0.84479%0.791SS**SBendtrans-76.3126.8175.429.9-29.7000109.8
327G45.6Very low51.4Low73 Ų73146.3 Ų146.375%0.75381%0.813SS**  trans141.614.3163.500000119.4
328M49.2Very low52.1Low148 Ų148147.6 Ų147.673%0.72982%0.816SS**  trans-123.899.7170.2-74.3-144.968.700111.5Y330M328-Y330 HydrophobicContact CE-CD2 3.96Å; M328-Y330 HydrophobicContact CE-CE2 3.4Å; M328-Y330 HydrophobicContact SD-CE2 4.46Å
329V54.3Low52.8Low134 Ų134149 Ų14981%0.81282%0.815SS**  trans-80.6109.8165.7-176.80000106.8
330Y59Low53.5Low184 Ų184151.1 Ų151.172%0.72282%0.822SS**  trans-100.1116.3162.9-99.9-85.9000107.8M328 D332M328-Y330 HydrophobicContact CE-CD2 3.96Å; M328-Y330 HydrophobicContact CE-CE2 3.4Å; M328-Y330 HydrophobicContact SD-CE2 4.46Å; Y330-D332 PolarHBondContact O-N 3.15Å
331S60Low54.3Low94 Ų94149.6 Ų149.666%0.65782%0.822SS**  trans-79103.2170.7-52.20000108.3H333S331-H333 PolarHBondContact O-N 3.32Å
332D62.4Low55.2Low149 Ų149149.2 Ų149.280%0.79782%0.822SS**  trans-76.1110.6165.9-77.4-25.9000108.4Y330Y330-D332 PolarHBondContact O-N 3.15Å
333H59.8Low56Low163 Ų163144.8 Ų144.876%0.75582%0.821SS**  trans-97103.9159.9-80.929.7000107.4S331 D335S331-H333 PolarHBondContact O-N 3.32Å; H333-D335 PolarHBondContact O-N 2.62Å
334S57.9Low56.3Low114 Ų114142.4 Ų142.480%0.79782%0.82SS**  trans-80.699.1162.342.20000108.3
335D62.5Low56.4Low158 Ų158144 Ų14485%0.84582%0.822SS**  trans-92.8117.8160.6-83.2-30000108.7H333H333-D335 PolarHBondContact O-N 2.62Å
336S58.3Low56.7Low113 Ų113142.2 Ų142.279%0.7982%0.818SS**  trans-97.8122.3165.741.60000108.6
337D60.2Low57.2Low246 Ų246143.3 Ų143.3100%1.31682%0.816SS**  trans-141.10153.7-95.3-27.2000108.3

Retrieved 337 of 337 residues in 129.5 ms (Link to these results)

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