A0A077ZK59_TRITR Loading...

Protein aurora borealis

AlphaFold DB , UniProt , Accession A0A077ZK59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 502 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
1M59.4Low59.4Low245 Ų245165 Ų165100%1.20781%0.809SS**  0125.10-75.7-167.2166.100107.7
2S58.6Low59.5Low97 Ų97157.3 Ų157.368%0.67880%0.804SS**  trans-4127.1166.1-44.40000118.8
3E62.6Low58.7Low170 Ų170160.4 Ų160.479%0.79481%0.813SS**  97.7106.589.3-79.1172.716500110.7
4T57.8Low58.4Low128 Ų128161 Ų16179%0.78581%0.811SS**  49.2114.485.753.80000116.4
5R58.9Low58.5Low239 Ų239158.9 Ų158.990%0.90280%0.804SS**  165117123.6-127.7162.6172.4169.8-2.2108.5
6S54.7Low58.1Low89 Ų89159.8 Ų159.862%0.62280%0.804SS**  68126.169.5-142.50000114.7
7E59.9Low57.7Low166 Ų166159 Ų15978%0.77680%0.803SS**  trans75.6114.2138.3-107.5167.9139.300119.8
8M63.7Low57.9Low133 Ų133156.9 Ų156.966%0.65581%0.805SS**  177.8116.791-100.6174.378.900109.9R10M8-R10 HydrophobicContact CE-CG 4.13Å; M8-R10 VanDerWaalsContact CE-NE 3.28Å
9Q54.5Low58.1Low180 Ų180159 Ų15984%0.84181%0.811SS**  trans-89.4126.5162.7-154.3172.4-3.200106.3
10R65.7Low58.3Low211 Ų211160.1 Ų160.180%0.79681%0.813SS**  trans-125.2105.7165.3-81-163.7-159-178.67.8108.3M8M8-R10 HydrophobicContact CE-CG 4.13Å; M8-R10 VanDerWaalsContact CE-NE 3.28Å
11D57.5Low58.5Low157 Ų157157.8 Ų157.884%0.8481%0.811SS**  trans-75.4136.1149.6-75.7-43.7000108.1
12G60.8Low58.4Low73 Ų73153.3 Ų153.375%0.75379%0.792SS**  trans-158.494.2176.700000109.4
13Q49Very low58.6Low197 Ų197154 Ų15492%0.92179%0.794SS**  trans-51.2136.1155.3-78.3174.7-90.100109
14E54.3Low58.6Low169 Ų169150.8 Ų150.879%0.7980%0.796SS**  trans-173.7145.4135.6-116.6-175.8-173.800113.2
15N59.8Low59.4Low130 Ų130152.4 Ų152.470%0.69580%0.799SS**  trans86.496.3149.1-55.3-26.5000119.2
16Q51.6Low60.4Low173 Ų173146 Ų14681%0.80879%0.791SS**  trans-58.9164.6140.3-68.9-179.7-20.700110.6
17D52.7Low62Low146 Ų146145.8 Ų145.878%0.78178%0.783SS**  trans82.186.1165.8-51-25.8000117.3
18S60.3Low63.4Low121 Ų121140.6 Ų140.685%0.84676%0.764SS**  -160.999127.4-190000109.1E20S18-E20 PolarHBondContact O-N 2.98Å
19E61.6Low64.5Low197 Ų197141.3 Ų141.392%0.92177%0.768SS**  trans-65.9114.1161.3-73-165.814300108S21E19-S21 PolarHBondContact O-N 2.87Å
20E62.1Low66Low181 Ų181138 Ų13885%0.84676%0.76SS**  trans-69.791.7179.3-162.8173.5-169.800109S18 L22S18-E20 PolarHBondContact O-N 2.98Å; E20-L22 PolarHBondContact O-N 2.86Å
21S62.5Low67.2Low111 Ų111132.8 Ų132.878%0.77675%0.745SS**  trans-66.9104.4171.763.10000109.1E19E19-S21 PolarHBondContact O-N 2.87Å
22L57.7Low68.8Low152 Ų152132 Ų13280%0.79673%0.73SS**  trans-53.8134.7173.7-72.9167.3000110.4E20 A24E20-L22 PolarHBondContact O-N 2.86Å; L22-A24 PolarHBondContact O-N 3.11Å
23P62.3Low70.2Confident111 Ų111132.3 Ų132.372%0.72171%0.714SS**  trans-60.3123.4-179.124.4-32.5000109.4L25P23-L25 PolarHBondContact O-N 3.46Å
24A63.4Low72.3Confident102 Ų102130.6 Ų130.684%0.84370%0.7SS**  trans-58.999.3174.200000109.1L22 S26L22-A24 PolarHBondContact O-N 3.11Å; A24-S26 PolarHBondContact O-N 3.14Å
25L73.2Confident74Confident162 Ų162124.5 Ų124.585%0.84868%0.679SS**  trans-52.8113.8172.3-74.5166.5000107.9P23 L27P23-L25 PolarHBondContact O-N 3.46Å; L25-L27 PolarHBondContact O-N 3.1Å
26S81.9Confident75.7Confident106 Ų106123.3 Ų123.374%0.74167%0.669SS**  trans-6896.5179.671.60000108.7A24 S28A24-S26 PolarHBondContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 2.86Å
27L86.8Confident77.5Confident84 Ų84124.1 Ų124.144%0.4467%0.665SS.*  trans-55.6133.9173.8-70.2158.3000109.3L25 Q31 R32L25-L27 PolarHBondContact O-N 3.1Å; L27-Q31 HydrophobicContact CB-CB 3.96Å; L27-Q31 HydrophobicContact CD2-CB 3.81Å; L27-Q31 HydrophobicContact CD2-CG 4.33Å; L27-Q31 HydrophobicContact CG-CB 4.47Å; L27-R32 HydrophobicContact CB-CG 4.03Å
28S89.6Confident79.3Confident56 Ų56121.5 Ų121.539%0.39265%0.647SS.*  trans-58.4157.5173.473.10000110.6S26 T30 Q31 R32S26-S28 PolarHBondContact O-N 2.86Å; S28-T30 PolarHBondContact O-N 3.17Å; S28-T30 VanDerWaalsContact O-N 3.16Å; S28-Q31 VanDerWaalsContact N-OE1 3.09Å; S28-Q31 PolarHBondContact O-N 3.12Å; S28-Q31 WeakPolarHBondContact OG-CG 3.44Å; S28-Q31 PolarHBondContact OG-N 2.97Å; S28-R32 PolarHBondContact O-N 3.35Å
29M87.6Confident80.7Confident148 Ų148122.4 Ų122.473%0.72964%0.638SS**Hα-helixtrans-55-36.3178.2-165.9-176.3-118.900111.5R32 N33M29-R32 PolarHBondContact O-N 3.34Å; M29-N33 WeakPolarHBondContact O-CB 3.36Å; M29-N33 VanDerWaalsContact O-CG 3.27Å; M29-N33 PolarHBondContact O-N 3.31Å; M29-N33 PolarHBondContact O-ND2 3.39Å
30T86.1Confident82Confident110 Ų110120.6 Ų120.668%0.67562%0.622SS**Hα-helixtrans-64.5-44.2174.6-46.20000112.3S28 N33 Y34S28-T30 PolarHBondContact O-N 3.17Å; S28-T30 VanDerWaalsContact O-N 3.16Å; T30-N33 PolarHBondContact O-N 2.98Å; T30-Y34 PolarHBondContact O-N 3.47Å
31Q90Very high83Confident103 Ų103115.6 Ų115.648%0.48160%0.598SS.*Hα-helixtrans-65.8-38.3176.4-77.2172.3-22.300112.2L27 S28 Y34 A35L27-Q31 HydrophobicContact CB-CB 3.96Å; L27-Q31 HydrophobicContact CD2-CB 3.81Å; L27-Q31 HydrophobicContact CD2-CG 4.33Å; L27-Q31 HydrophobicContact CG-CB 4.47Å; S28-Q31 VanDerWaalsContact N-OE1 3.09Å; S28-Q31 PolarHBondContact O-N 3.12Å; S28-Q31 WeakPolarHBondContact OG-CG 3.44Å; S28-Q31 PolarHBondContact OG-N 2.97Å; Q31-Y34 PolarHBondContact O-N 3.18Å; Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3.48Å
32R91.5Very high84.1Confident141 Ų141114.1 Ų114.153%0.53258%0.581SS.*Hα-helixtrans-62.5-44.2172.6-74.2-168.9-175.9119.3-0.6112L27 S28 M29 Y34 A35 Q36L27-R32 HydrophobicContact CB-CG 4.03Å; S28-R32 PolarHBondContact O-N 3.35Å; M29-R32 PolarHBondContact O-N 3.34Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 2.89Å; R32-A35 PolarHBondContact O-N 3.38Å; R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.03Å
33N90.5Very high85.3Confident78 Ų78111.5 Ų111.542%0.41758%0.575SS.*Hα-helixtrans-62.9-40.3177.1-73.5-20.9000111.8M29 T30 R37M29-N33 WeakPolarHBondContact O-CB 3.36Å; M29-N33 VanDerWaalsContact O-CG 3.27Å; M29-N33 PolarHBondContact O-N 3.31Å; M29-N33 PolarHBondContact O-ND2 3.39Å; T30-N33 PolarHBondContact O-N 2.98Å; N33-R37 WeakPolarHBondContact O-CG 3.31Å; N33-R37 PolarHBondContact O-N 3.26Å
34Y91.8Very high86.4Confident161 Ų161115.9 Ų115.963%0.63158%0.578SS**Hα-helixtrans-63.8-48.5174.1179.3-93.6000111.8T30 Q31 R32 Q36 R37 F38T30-Y34 PolarHBondContact O-N 3.47Å; Q31-Y34 PolarHBondContact O-N 3.18Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 2.89Å; Y34-Q36 VanDerWaalsContact C-N 3.31Å; Y34-Q36 PolarHBondContact O-N 3.24Å; Y34-R37 PolarHBondContact O-N 3.27Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; Y34-F38 WeakPolarHBondContact O-CB 3.44Å; Y34-F38 PolarHBondContact O-N 3.39Å
35A91.7Very high87.1Confident42 Ų42114.1 Ų114.135%0.34757%0.57SS.*Hα-helixtrans-59.2-40.7178.300000112.1Q31 R32 F38 Q39Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3.48Å; R32-A35 PolarHBondContact O-N 3.38Å; A35-F38 PolarHBondContact O-N 3.22Å; A35-Q39 PolarHBondContact O-N 2.88Å
36Q94Very high86.8Confident104 Ų104110 Ų11049%0.48655%0.551SS.*Hα-helixtrans-65.5-42.1174.2-77-175.3-5.600112.8R32 Y34 F38 Q39 R40R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.03Å; Y34-Q36 VanDerWaalsContact C-N 3.31Å; Y34-Q36 PolarHBondContact O-N 3.24Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q36-R40 WeakPolarHBondContact O-CG 3.47Å; Q36-R40 PolarHBondContact O-N 3.37Å
37R90.4Very high85.5Confident191 Ų191108.5 Ų108.572%0.72154%0.541SS*.Hα-helixtrans-63.7-40.8175-74.4-179.4-171.5-173.62.5111.4N33 Y34 R40 F41N33-R37 WeakPolarHBondContact O-CG 3.31Å; N33-R37 PolarHBondContact O-N 3.26Å; Y34-R37 PolarHBondContact O-N 3.27Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; R37-R40 PolarHBondContact O-N 3.14Å; R37-F41 WeakPolarHBondContact O-CB 3.4Å; R37-F41 PolarHBondContact O-N 2.74Å
38F89.7Confident83.9Confident90 Ų90108.7 Ų108.740%0.39555%0.547SS..Hα-helixtrans-65.6-43.1177.3-172-107.4000111.9Y34 A35 Q36 R40 F41 L42Y34-F38 WeakPolarHBondContact O-CB 3.44Å; Y34-F38 PolarHBondContact O-N 3.39Å; A35-F38 PolarHBondContact O-N 3.22Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.47Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.4Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.49Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 4.11Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 HydrophobicContact CZ-CG 4.27Å; F38-L42 WeakPolarHBondContact O-CG 3.44Å; F38-L42 PolarHBondContact O-N 3.27Å
39Q90.9Very high82.2Confident140 Ų140113.4 Ų113.465%0.65457%0.567SS**Hα-helixtrans-61.2-42.8172.5-80.2-170.6-1800112.5A35 Q36 F41 L42 S43A35-Q39 PolarHBondContact O-N 2.88Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 PolarHBondContact O-N 3.17Å; Q39-L42 PolarHBondContact O-N 3.07Å; Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 3.03Å
40R88.7Confident80.5Confident159 Ų159111.6 Ų111.660%0.656%0.564SS**Hα-helixtrans-63.3-31.3174.3-73.9180-174.1170.43.6112.8Q36 R37 F38 S43 R44Q36-R40 WeakPolarHBondContact O-CG 3.47Å; Q36-R40 PolarHBondContact O-N 3.37Å; R37-R40 PolarHBondContact O-N 3.14Å; F38-R40 PolarHBondContact O-N 3.47Å; R40-S43 WeakPolarHBondContact CA-OG 3.5Å; R40-S43 PolarHBondContact O-OG 3.31Å; R40-R44 VanDerWaalsContact O-CG 3.31Å; R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 2.98Å
41F82Confident78.5Confident77 Ų77111.5 Ų111.534%0.33857%0.574SS.*Hα-helixtrans-71.6-46.4175.9179-102.4000111.3R37 F38 Q39 S43 R44 V46 P48R37-F41 WeakPolarHBondContact O-CB 3.4Å; R37-F41 PolarHBondContact O-N 2.74Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.4Å; F38-F41 VanDerWaalsContact O-N 3.15Å; Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 PolarHBondContact O-N 3.17Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-R44 PolarHBondContact O-N 3.39Å; F41-V46 WeakPolarHBondContact CD1-O 2.9Å; F41-V46 HydrophobicContact CD2-CB 4.39Å; F41-V46 HydrophobicContact CE1-CB 4.44Å; F41-V46 WeakPolarHBondContact CE1-O 3.49Å; F41-V46 HydrophobicContact CE2-CB 3.82Å; F41-V46 HydrophobicContact CE2-CG1 3.81Å; F41-V46 HydrophobicContact CZ-CB 3.85Å; F41-V46 HydrophobicContact CZ-CG1 3.69Å; F41-V46 VanDerWaalsContact CZ-O 3.22Å; F41-V46 WeakPolarHBondContact CZ-O 3.22Å; F41-P48 HydrophobicContact CE1-CB 4.34Å; F41-P48 HydrophobicContact CE1-CG 4.01Å
42L85.8Confident76.4Confident79 Ų79110 Ų11041%0.41458%0.579SS.*Hα-helixtrans-61.6-41.1174.2-67.6179.5000112.1F38 Q39 R44 G45F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.49Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 4.11Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 HydrophobicContact CZ-CG 4.27Å; F38-L42 WeakPolarHBondContact O-CG 3.44Å; F38-L42 PolarHBondContact O-N 3.27Å; Q39-L42 PolarHBondContact O-N 3.07Å; L42-R44 PolarHBondContact O-N 2.94Å; L42-G45 PolarHBondContact O-N 3.36Å
43S83.5Confident74.2Confident97 Ų97115.2 Ų115.268%0.67860%0.599SS**Hα-helixtrans-67.2-19178.868.20000113.6Q39 R40 F41 G45Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 3.03Å; R40-S43 WeakPolarHBondContact CA-OG 3.5Å; R40-S43 PolarHBondContact O-OG 3.31Å; F41-S43 PolarHBondContact O-N 3.34Å; S43-G45 PolarHBondContact O-N 3.47Å
44R85.5Confident72.3Confident203 Ų203122.4 Ų122.477%0.76662%0.62SS**THydrogen-bonded Turntrans-81.11.5173.1-74.1174178.4-173.6-0.7113.1R40 F41 L42 V46R40-R44 VanDerWaalsContact O-CG 3.31Å; R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 2.98Å; F41-R44 PolarHBondContact O-N 3.39Å; L42-R44 PolarHBondContact O-N 2.94Å; R44-V46 HydrophobicContact CB-CG2 4.16Å; R44-V46 PolarHBondContact O-N 3.14Å
45G77Confident70.3Confident66 Ų66120.3 Ų120.368%0.6863%0.629SS**THydrogen-bonded Turntrans74.712178.800000114.1L42 S43 S47L42-G45 PolarHBondContact O-N 3.36Å; S43-G45 PolarHBondContact O-N 3.47Å; G45-S47 PolarHBondContact O-N 3.04Å
46V67.1Low68.4Low75 Ų75125.6 Ų125.646%0.45565%0.651SS.*  trans-93.577179.4-162.60000108F41 R44F41-V46 WeakPolarHBondContact CD1-O 2.9Å; F41-V46 HydrophobicContact CD2-CB 4.39Å; F41-V46 HydrophobicContact CE1-CB 4.44Å; F41-V46 WeakPolarHBondContact CE1-O 3.49Å; F41-V46 HydrophobicContact CE2-CB 3.82Å; F41-V46 HydrophobicContact CE2-CG1 3.81Å; F41-V46 HydrophobicContact CZ-CB 3.85Å; F41-V46 HydrophobicContact CZ-CG1 3.69Å; F41-V46 VanDerWaalsContact CZ-O 3.22Å; F41-V46 WeakPolarHBondContact CZ-O 3.22Å; R44-V46 HydrophobicContact CB-CG2 4.16Å; R44-V46 PolarHBondContact O-N 3.14Å
47S55.4Low66.6Low75 Ų75129.9 Ų129.952%0.52467%0.672SS.*  trans-76122.9172.7-161.80000108.8G45 L49G45-S47 PolarHBondContact O-N 3.04Å; S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 VanDerWaalsContact O-N 3.11Å
48P53.7Low64.7Low88 Ų88127.3 Ų127.357%0.57168%0.677SS**SBendtrans-77.65.9-172.928.7-27.1000113.4F41F41-P48 HydrophobicContact CE1-CB 4.34Å; F41-P48 HydrophobicContact CE1-CG 4.01Å
49L53.9Low62.8Low154 Ų154126 Ų12681%0.80669%0.69SS**SBendtrans-153.556.2-166.6-103.2149.5000112.7S47S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 VanDerWaalsContact O-N 3.11Å
50V50.6Low60.8Low110 Ų110126.7 Ų126.767%0.66770%0.703SS**  trans-14494160.2-170.50000110.3A52V50-A52 HydrophobicContact CG1-CB 4.04Å; V50-A52 PolarHBondContact O-N 2.92Å
51A44Very low59Low108 Ų108122.8 Ų122.889%0.89371%0.713SS**  trans-71.384.1157.400000108.1R53A51-R53 PolarHBondContact O-N 2.9Å
52A47.3Very low57.4Low71 Ų71128.1 Ų128.159%0.58774%0.736SS**  trans-73.797.7175.500000109.4V50 R54V50-A52 HydrophobicContact CG1-CB 4.04Å; V50-A52 PolarHBondContact O-N 2.92Å; A52-R54 PolarHBondContact O-N 3.15Å
53R45.7Very low56.1Low252 Ų252132.3 Ų132.395%0.95176%0.759SS**  trans-57.9113.5155.4-85.8-175.4171.6-172.4-1.5107.6A51A51-R53 PolarHBondContact O-N 2.9Å
54R48.6Very low54.4Low229 Ų229135.4 Ų135.486%0.86477%0.768SS**  trans-100.2124.4164.2-76.8-173.5174.5174.7-1.2108.7A52A52-R54 PolarHBondContact O-N 3.15Å
55S50Low52.7Low116 Ų116130.5 Ų130.581%0.81177%0.77SS**  trans-70.5125.816941.60000109.9
56D52Low51.3Low153 Ų153135.9 Ų135.982%0.81878%0.778SS**  trans-85.3112.3171.8-74.8-32000109.5
57E57Low50.3Low195 Ų195138 Ų13891%0.91180%0.796SS**  trans-98.3114.1159.2-75.3-172.8163.400108.6
58T49.5Very low49.8Very low136 Ų136142.8 Ų142.883%0.83481%0.81SS**  trans-95.6114.4177.244.60000110.9
59G50.9Low49.5Very low64 Ų64147 Ų14766%0.6683%0.827SS**  trans-127.4100.1163.900000111.8
60T48.8Very low49Very low153 Ų153148.4 Ų148.494%0.93983%0.829SS**  49122.8129.355.80000120.7
61G51Low48.3Very low78 Ų78149 Ų14980%0.80484%0.839SS**  trans16783.1162.500000111
62K48.1Very low48.5Very low189 Ų189150.4 Ų150.482%0.82284%0.836SS**  trans-66.7143.2164.2-73.3175.1173.6176.40107.8
63D58.5Low48.4Very low167 Ų167151.9 Ų151.989%0.89384%0.842SS**  -163.9125.1129.3-85.9-26.6000109.8
64D46.9Very low48.4Very low161 Ų161148.8 Ų148.886%0.86184%0.838SS**  trans-79.2135.6179.9-70.3-57.2000110.3
65A50Low48.6Very low100 Ų100148.1 Ų148.183%0.82684%0.842SS**  trans-144.8112.6157.500000110
66Q47.6Very low48.6Very low179 Ų179150.6 Ų150.684%0.83684%0.841SS**  trans-54.5139.4171.1-72.2164.9-68.400111.4
67S47.7Very low48.5Very low119 Ų119148 Ų14883%0.83283%0.832SS**  trans-144.6108.9152.2-720000108.6
68Q45Very low48.1Very low176 Ų176144.5 Ų144.582%0.82283%0.829SS**  trans-61.5133.6170.7-63.1173.8-100108.8
69L45.8Very low48Very low177 Ų177147.2 Ų147.293%0.92783%0.832SS**  trans-120.3130.5160.5-78.9175.2000109.1
70Q43.4Very low48.1Very low183 Ų183153.7 Ų153.786%0.85585%0.845SS**  trans-67.9142.9-169.4-70.2169.5-44.500112.2
71S36.2Very low47.9Very low124 Ų124150.9 Ų150.987%0.86784%0.838SS**  trans-69125.7167.6-156.30000109.4
72V48.1Very low48.1Very low136 Ų136155.7 Ų155.782%0.82484%0.844SS**  trans-108.6122.5167.2177.50000107.6
73S46.5Very low48.2Very low103 Ų103156.5 Ų156.572%0.7285%0.848SS**  trans-68.9131.2-175.449.70000113.8
74E44.2Very low47.4Very low186 Ų186156 Ų15687%0.86984%0.84SS**  trans8.7120.6131.7-118164.3-176.200118.1
75F54.3Low47.8Very low215 Ų215158.4 Ų158.494%0.94384%0.843SS**  trans-139.6120155.5-132.1-88.9000107.6
76E50.1Low47.4Very low169 Ų169162.6 Ų162.679%0.7984%0.843SS**  trans-141.6167.1174.9-132.1-128.3175.600106.6
77P47.8Very low47.4Very low99 Ų99157.7 Ų157.764%0.64384%0.841SS**  -124.7170.7-72.338.5-25.3000110.9
78S50Low46.9Very low121 Ų121157.9 Ų157.985%0.84684%0.842SS**  trans-127.2114.2164.854.90000110.9
79Q46.8Very low47.1Very low192 Ų192155.2 Ų155.290%0.89784%0.842SS**  trans-52.8139.3167.6-71.9175.8-34.400111.6
80E52.5Low46.8Very low200 Ų200154.6 Ų154.694%0.93584%0.835SS**  trans-146.2129.5143-125.9173.2-16700111.1
81A46.2Very low46.7Very low95 Ų95152.8 Ų152.879%0.78583%0.831SS**  trans-85.6134-169.200000111.3
82L53.7Low47.3Very low179 Ų179152.5 Ų152.594%0.93783%0.829SS**  trans-133.1119.3159.3-98.8166000111.2
83K50.1Low46.9Very low206 Ų206154 Ų15490%0.89683%0.833SS**  trans-58.4138.6-174.7-90169.9166.7172.60114
84E42.8Very low46.7Very low157 Ų157154 Ų15473%0.73483%0.832SS**  trans-50.8141.1157.4-66.7174.7135.200113
85K54Low46.8Very low211 Ų211150.8 Ų150.892%0.91783%0.825SS**  trans-135.698.9145.2-92.2-168175.9-174.70109
86F41.8Very low46.3Very low187 Ų187149.9 Ų149.982%0.8282%0.821SS**  trans-67.4122.3160.6-87.5-91.7000109.3
87G47.8Very low46.1Very low77 Ų77146.8 Ų146.879%0.79481%0.814SS**  trans-116.7100.2167.500000108.9
88S38.5Very low46.1Very low122 Ų122150.2 Ų150.285%0.85383%0.827SS**  trans-69126.2167.752.10000110.1
89S48.7Very low45.9Very low120 Ų120148.4 Ų148.484%0.83981%0.814SS**  trans-139.8112.2152.6-165.90000108.7
90Q39.2Very low45.9Very low164 Ų164149.3 Ų149.377%0.76682%0.818SS**  trans-63.9170.8158.6-79.5173.8-89.300110
91D40.5Very low45.7Very low146 Ų146144.2 Ų144.278%0.78181%0.805SS**  trans94.6104.3164.3-50-27.2000114.9
92S49.6Very low46.2Very low118 Ų118148 Ų14883%0.82581%0.807SS**  178.1116.7126.9-74.40000111.1S94S92-S94 PolarHBondContact O-N 3.41Å; S92-S94 VanDerWaalsContact O-N 3.15Å
93N39Very low46.7Very low168 Ų168144.4 Ų144.490%0.89879%0.787SS**  trans-58.6107.7168.5-65.2-46000110.3
94S42.8Very low47.5Very low101 Ų101141.4 Ų141.471%0.70678%0.781SS**  trans-101.996.8174178.60000110.2S92 F96S92-S94 PolarHBondContact O-N 3.41Å; S92-S94 VanDerWaalsContact O-N 3.15Å; S94-F96 PolarHBondContact O-N 2.85Å
95V45.8Very low49Very low119 Ų119136.4 Ų136.472%0.72176%0.761SS**  trans-67.5116.5168.2172.50000108.4T97V95-T97 HydrophobicContact CG1-CG2 4.27Å; V95-T97 PolarHBondContact O-N 2.93Å; V95-T97 VanDerWaalsContact O-N 3.16Å
96F43.8Very low49.7Very low196 Ų196132 Ų13286%0.8676%0.757SS**  trans-73.4100.1171.3-96-91.8000109.1S94S94-F96 PolarHBondContact O-N 2.85Å
97T47.3Very low51.9Low104 Ų104124.5 Ų124.564%0.63873%0.732SS**  trans-85.5130.9162.950.10000109.3V95 S99V95-T97 HydrophobicContact CG1-CG2 4.27Å; V95-T97 PolarHBondContact O-N 2.93Å; V95-T97 VanDerWaalsContact O-N 3.16Å; T97-S99 PolarHBondContact O-N 3.48Å
98D46.3Very low53.9Low171 Ų171124.3 Ų124.391%0.91472%0.716SS**  trans-5799.7170-103.6-29.4000109.1
99S46.6Very low56.2Low83 Ų83123 Ų12358%0.5870%0.704SS**  trans-146.5118.2173-52.80000107.2T97 S101T97-S99 PolarHBondContact O-N 3.48Å; S99-S101 PolarHBondContact O-N 2.82Å; S99-S101 PolarHBondContact O-OG 3.19Å
100Q47.7Very low57.8Low211 Ų211122.9 Ų122.999%0.98669%0.693SS**  trans-60.772.2-176.6-152.1170.42500110.6
101S47.3Very low60.1Low93 Ų93120 Ų12065%0.6568%0.68SS**  trans-97.6124.4178.353.80000109.2S99 I103S99-S101 PolarHBondContact O-N 2.82Å; S99-S101 PolarHBondContact O-OG 3.19Å; S101-I103 PolarHBondContact O-N 2.86Å; S101-I103 VanDerWaalsContact O-N 3.14Å
102Q57.5Low62.4Low176 Ų176119.1 Ų119.182%0.82267%0.665SS**  trans-60.9113.6174.9-68.8178.7-0.500108.9N104Q102-N104 PolarHBondContact O-N 3.34Å
103I63.9Low64.1Low102 Ų102118.5 Ų118.552%0.52365%0.649SS.*  trans-76.197173.7-53.6176.6000107.4S101 V105 Y119S101-I103 PolarHBondContact O-N 2.86Å; S101-I103 VanDerWaalsContact O-N 3.14Å; I103-V105 HydrophobicContact CB-CG2 4.48Å; I103-V105 HydrophobicContact CG2-CG2 3.5Å; I103-V105 VanDerWaalsContact CG2-CG2 3.5Å; I103-V105 PolarHBondContact O-N 3.11Å; I103-Y119 HydrophobicContact CD1-CD1 4.47Å; I103-Y119 HydrophobicContact CD1-CD2 3.54Å; I103-Y119 HydrophobicContact CD1-CE1 4.48Å; I103-Y119 HydrophobicContact CD1-CE2 3.54Å; I103-Y119 HydrophobicContact CD1-CG 4.03Å
104N66.3Low66.5Low144 Ų144115.7 Ų115.777%0.7763%0.634SS**  trans-73.489.9168.4-78.8-27.3000109.2Q102 S106Q102-N104 PolarHBondContact O-N 3.34Å; N104-S106 PolarHBondContact O-N 2.89Å
105V74.3Confident68.6Low52 Ų52112.6 Ų112.632%0.31561%0.614SS.*  trans-84.2102.5171.1-174.20000108.5I103 R112 A115I103-V105 HydrophobicContact CB-CG2 4.48Å; I103-V105 HydrophobicContact CG2-CG2 3.5Å; I103-V105 VanDerWaalsContact CG2-CG2 3.5Å; I103-V105 PolarHBondContact O-N 3.11Å; V105-R112 HydrophobicContact CB-CG 4.13Å; V105-R112 HydrophobicContact CG1-CG 4.04Å; V105-R112 WeakPolarHBondContact O-CD 3.3Å; V105-R112 WeakPolarHBondContact O-CG 3.37Å; V105-A115 HydrophobicContact CG1-CB 3.86Å; V105-A115 HydrophobicContact CG2-CB 4.01Å
106S69.7Low70.6Confident119 Ų119111.8 Ų111.883%0.83261%0.605SS**  trans-73.3124.4165.155.20000109.2N104N104-S106 PolarHBondContact O-N 2.89Å
107G87.1Confident72.7Confident29 Ų29110.5 Ų110.530%0.29960%0.595SS.*SBendtrans171171178.900000112.4E111 R112G107-E111 VanDerWaalsContact CA-OE2 3.27Å; G107-E111 WeakPolarHBondContact CA-OE2 3.4Å; G107-R112 PolarHBondContact O-NE 2.93Å
108T90.5Very high74.6Confident73 Ų73109.5 Ų109.545%0.44859%0.592SS.*  trans-55.8155.8169.563.90000110.1I110 E111 R112T108-I110 PolarHBondContact O-N 2.83Å; T108-I110 VanDerWaalsContact O-N 3.08Å; T108-E111 PolarHBondContact N-OE2 3.01Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 WeakPolarHBondContact OG1-CG 3.28Å; T108-E111 PolarHBondContact OG1-N 3.22Å; T108-E111 PolarHBondContact OG1-OE2 2.76Å; T108-R112 PolarHBondContact O-N 2.85Å
109P86.4Confident76.7Confident95 Ų95107 Ų10762%0.61757%0.571SS**Hα-helixtrans-51.4-33.9177.3-28.135.6000113.5Q113P109-Q113 PolarHBondContact O-N 3.43Å; P109-Q113 VanDerWaalsContact O-N 3.08Å
110I82.8Confident78.6Confident117 Ų117108.8 Ų108.860%0.657%0.57SS**Hα-helixtrans-69.7-45.9178.2-62.1171.3000111.2T108 R112 Q113 L114T108-I110 PolarHBondContact O-N 2.83Å; T108-I110 VanDerWaalsContact O-N 3.08Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 3.4Å; I110-Q113 PolarHBondContact O-N 2.99Å; I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å
111E87.4Confident80.4Confident104 Ų104102.2 Ų102.249%0.48655%0.547SS..Hα-helixtrans-62.3-39.7176.6-72.9166.5158.700111.6G107 T108 Q113 L114 A115G107-E111 VanDerWaalsContact CA-OE2 3.27Å; G107-E111 WeakPolarHBondContact CA-OE2 3.4Å; T108-E111 PolarHBondContact N-OE2 3.01Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 WeakPolarHBondContact OG1-CG 3.28Å; T108-E111 PolarHBondContact OG1-N 3.22Å; T108-E111 PolarHBondContact OG1-OE2 2.76Å; E111-Q113 VanDerWaalsContact C-N 3.35Å; E111-Q113 PolarHBondContact O-N 3.22Å; E111-L114 PolarHBondContact O-N 2.99Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.31Å
112R88.1Confident82.2Confident127 Ų127100.6 Ų100.648%0.47954%0.539SS..Hα-helixtrans-61.5-42.6174.1-77.4-170.6-90.8169-4112V105 G107 T108 I110 A115 L116V105-R112 HydrophobicContact CB-CG 4.13Å; V105-R112 HydrophobicContact CG1-CG 4.04Å; V105-R112 WeakPolarHBondContact O-CD 3.3Å; V105-R112 WeakPolarHBondContact O-CG 3.37Å; G107-R112 PolarHBondContact O-NE 2.93Å; T108-R112 PolarHBondContact O-N 2.85Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 3.4Å; R112-A115 PolarHBondContact O-N 2.85Å; R112-L116 WeakPolarHBondContact O-CB 3.45Å; R112-L116 PolarHBondContact O-N 2.98Å
113Q86.4Confident83.3Confident104 Ų10494.4 Ų94.449%0.48651%0.513SS..Hα-helixtrans-67.9-39.2178.2-163.3177.219.800112.3P109 I110 E111 L116 R117P109-Q113 PolarHBondContact O-N 3.43Å; P109-Q113 VanDerWaalsContact O-N 3.08Å; I110-Q113 PolarHBondContact O-N 2.99Å; E111-Q113 VanDerWaalsContact C-N 3.35Å; E111-Q113 PolarHBondContact O-N 3.22Å; Q113-L116 PolarHBondContact O-N 3.46Å; Q113-R117 PolarHBondContact O-N 3.16Å
114L88.1Confident84Confident110 Ų11091.9 Ų91.958%0.57651%0.508SS*.Hα-helixtrans-65.6-42174.6-75.8169.6000111.9I110 E111 R117 S118I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å; E111-L114 PolarHBondContact O-N 2.99Å; L114-R117 PolarHBondContact O-N 2.89Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.86Å
115A87.1Confident84.6Confident36 Ų3688.8 Ų88.830%0.29849%0.489SS..Hα-helixtrans-63-43.8175.700000111.8V105 E111 R112 S118 Y119V105-A115 HydrophobicContact CG1-CB 3.86Å; V105-A115 HydrophobicContact CG2-CB 4.01Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.31Å; R112-A115 PolarHBondContact O-N 2.85Å; A115-S118 PolarHBondContact O-N 3.16Å; A115-Y119 WeakPolarHBondContact O-CB 3.27Å; A115-Y119 PolarHBondContact O-N 3.08Å
116L88.5Confident84.6Confident101 Ų10189 Ų8953%0.52950%0.496SS..Hα-helixtrans-59.9-45.2174.1-101.7152000112.2R112 Q113 Y119 Q120R112-L116 WeakPolarHBondContact O-CB 3.45Å; R112-L116 PolarHBondContact O-N 2.98Å; Q113-L116 PolarHBondContact O-N 3.46Å; L116-Y119 PolarHBondContact O-N 3.25Å; L116-Q120 WeakPolarHBondContact O-CB 3.48Å; L116-Q120 WeakPolarHBondContact O-CG 3.44Å; L116-Q120 PolarHBondContact O-N 2.89Å
117R88.4Confident84.8Confident169 Ų16992.4 Ų92.464%0.63849%0.491SS*.Hα-helixtrans-63.9-41.6175.9-81.2-172172.4-1750112.4Q113 L114 Q120 S121Q113-R117 PolarHBondContact O-N 3.16Å; L114-R117 PolarHBondContact O-N 2.89Å; R117-Q120 PolarHBondContact O-N 3.38Å; R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.32Å; R117-S121 PolarHBondContact O-N 2.93Å
118S87Confident84.2Confident83 Ų8396.6 Ų96.658%0.5851%0.506SS*.Hα-helixtrans-62.7-44.3176.9-168.80000111.3L114 A115 S121 A122L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.86Å; A115-S118 PolarHBondContact O-N 3.16Å; S118-S121 PolarHBondContact O-N 2.65Å; S118-A122 WeakPolarHBondContact O-CB 3.34Å; S118-A122 PolarHBondContact O-N 3.19Å
119Y88.9Confident83.3Confident120 Ų120101.6 Ų101.647%0.47152%0.522SS..Hα-helixtrans-62.6-48.2175.9178.6-99.9000112.4I103 A115 L116 S121 A122 V123I103-Y119 HydrophobicContact CD1-CD1 4.47Å; I103-Y119 HydrophobicContact CD1-CD2 3.54Å; I103-Y119 HydrophobicContact CD1-CE1 4.48Å; I103-Y119 HydrophobicContact CD1-CE2 3.54Å; I103-Y119 HydrophobicContact CD1-CG 4.03Å; A115-Y119 WeakPolarHBondContact O-CB 3.27Å; A115-Y119 PolarHBondContact O-N 3.08Å; L116-Y119 PolarHBondContact O-N 3.25Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.08Å; Y119-V123 HydrophobicContact CD1-CG2 4.31Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 WeakPolarHBondContact O-CG2 3.48Å; Y119-V123 PolarHBondContact O-N 3.48Å
120Q86.9Confident82.2Confident120 Ų120101 Ų10156%0.56151%0.513SS*.Hα-helixtrans-60.5-40.9177.1-74.4176.7-1400112.1L116 R117 V123 A124L116-Q120 WeakPolarHBondContact O-CB 3.48Å; L116-Q120 WeakPolarHBondContact O-CG 3.44Å; L116-Q120 PolarHBondContact O-N 2.89Å; R117-Q120 PolarHBondContact O-N 3.38Å; Q120-V123 PolarHBondContact O-N 3.1Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.07Å
121S86.7Confident81.1Confident72 Ų72101.1 Ų101.150%0.50352%0.522SS..Hα-helixtrans-63.4-44.1174.7-173.30000111.7R117 S118 Y119 V123 A124 M125R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.32Å; R117-S121 PolarHBondContact O-N 2.93Å; S118-S121 PolarHBondContact O-N 2.65Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 3.49Å; S121-V123 PolarHBondContact O-N 3.2Å; S121-A124 PolarHBondContact O-N 3.34Å; S121-M125 WeakPolarHBondContact O-CB 3.44Å; S121-M125 VanDerWaalsContact O-CG 3.26Å; S121-M125 WeakPolarHBondContact O-CG 3.45Å; S121-M125 PolarHBondContact O-N 3.47Å
122A84.3Confident79.8Confident59 Ų59103.1 Ų103.149%0.48853%0.531SS..Hα-helixtrans-62.2-42.6176.700000112.4S118 Y119 M125 A126S118-A122 WeakPolarHBondContact O-CB 3.34Å; S118-A122 PolarHBondContact O-N 3.19Å; Y119-A122 PolarHBondContact O-N 3.08Å; A122-M125 PolarHBondContact O-N 2.92Å; A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.41Å
123V79.7Confident78.3Confident46 Ų46102.3 Ų102.328%0.27954%0.535SS..Hα-helixtrans-64.5-43.1175.7172.90000111.3Y119 Q120 S121 M125 A126 R127Y119-V123 HydrophobicContact CD1-CG2 4.31Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 WeakPolarHBondContact O-CG2 3.48Å; Y119-V123 PolarHBondContact O-N 3.48Å; Q120-V123 PolarHBondContact O-N 3.1Å; S121-V123 PolarHBondContact O-N 3.2Å; V123-M125 VanDerWaalsContact C-N 3.35Å; V123-M125 PolarHBondContact O-N 3.01Å; V123-A126 PolarHBondContact O-N 3.44Å; V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.08Å
124A78.7Confident76.4Confident49 Ų49106.3 Ų106.341%0.40555%0.551SS.*Hα-helixtrans-61.5-43.5175.800000111.7Q120 S121 R127 L128Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.07Å; S121-A124 PolarHBondContact O-N 3.34Å; A124-R127 PolarHBondContact O-N 2.98Å; A124-L128 PolarHBondContact O-N 3.35Å
125M80Confident74.5Confident79 Ų79105.7 Ų105.739%0.38956%0.556SS.*Hα-helixtrans-68.2-34.2177.1-69-60.9-71.500112.7S121 A122 V123 L128 K129 F290S121-M125 WeakPolarHBondContact O-CB 3.44Å; S121-M125 VanDerWaalsContact O-CG 3.26Å; S121-M125 WeakPolarHBondContact O-CG 3.45Å; S121-M125 PolarHBondContact O-N 3.47Å; A122-M125 PolarHBondContact O-N 2.92Å; V123-M125 VanDerWaalsContact C-N 3.35Å; V123-M125 PolarHBondContact O-N 3.01Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CD1 4.34Å; M125-K129 PolarHBondContact O-N 3.41Å; M125-F290 HydrophobicContact CE-CE1 4.48Å; M125-F290 HydrophobicContact CE-CZ 4.2Å; M125-F290 HydrophobicContact SD-CE1 4.41Å; M125-F290 HydrophobicContact SD-CZ 4.18Å
126A74.8Confident72.4Confident56 Ų56111.8 Ų111.846%0.46358%0.582SS.*Hα-helixtrans-65.5-40.9173.600000111.6A122 V123 L128 K129 N130A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.41Å; V123-A126 PolarHBondContact O-N 3.44Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 3.05Å; A126-K129 PolarHBondContact O-N 3.44Å; A126-N130 PolarHBondContact O-N 3.15Å
127R74.1Confident69.9Low192 Ų192112 Ų11273%0.72559%0.593SS**Hα-helixtrans-63.6-38.2174.1-72.2177.8177.3-179.5-1112.6V123 A124V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.08Å; A124-R127 PolarHBondContact O-N 2.98Å
128L73.4Confident67.8Low116 Ų116110.3 Ų110.361%0.60760%0.604SS**Hα-helixtrans-67.8-32.2174.7-92.3146.4000113.2A124 M125 A126 F290A124-L128 PolarHBondContact O-N 3.35Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CD1 4.34Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 3.05Å; L128-F290 HydrophobicContact CD1-CZ 4.27Å; L128-F290 HydrophobicContact CD2-CZ 4.5Å
129K72Confident65.3Low178 Ų178111.6 Ų111.677%0.77461%0.612SS**Hα-helixtrans-79.1-20-179.2-87.4-174.5175.3-177.60114.4M125 A126M125-K129 PolarHBondContact O-N 3.41Å; A126-K129 PolarHBondContact O-N 3.44Å
130N62.5Low62.8Low82 Ų82113.6 Ų113.644%0.43963%0.628SS.*  trans-132.881.8-176.4-151.6-14.4000112.2A126 Q132 I133A126-N130 PolarHBondContact O-N 3.15Å; N130-Q132 PolarHBondContact O-N 3.45Å; N130-I133 HydrophobicContact CB-CD1 4.16Å; N130-I133 HydrophobicContact CB-CG1 4.24Å; N130-I133 PolarHBondContact O-N 3.21Å
131P60.8Low60.7Low121 Ų121118.9 Ų118.979%0.78664%0.644SS**THydrogen-bonded Turntrans-66.1-1.4179.727-33.7000113.9
132Q60.3Low58.6Low145 Ų145121 Ų12168%0.67866%0.656SS**THydrogen-bonded Turntrans-88.8-5.3179.5-67.8-84.2-8.200113.8N130 K134N130-Q132 PolarHBondContact O-N 3.45Å; Q132-K134 PolarHBondContact O-N 3.41Å
133I56.1Low56.1Low110 Ų110123.8 Ų123.856%0.56467%0.673SS**  trans-76.378175.4-53.3177.2000108.9N130 S135N130-I133 HydrophobicContact CB-CD1 4.16Å; N130-I133 HydrophobicContact CB-CG1 4.24Å; N130-I133 PolarHBondContact O-N 3.21Å; I133-S135 PolarHBondContact O-N 3Å
134K45.4Very low54.2Low189 Ų189127.9 Ų127.982%0.82270%0.701SS**  trans-68.7109.2169-71.2174.5178.7174.40108.4Q132Q132-K134 PolarHBondContact O-N 3.41Å
135S49Very low52.1Low97 Ų97129.5 Ų129.568%0.67871%0.71SS**  trans-129.6113.6161.560.10000110.8I133I133-S135 PolarHBondContact O-N 3Å
136L43.3Very low50.2Low163 Ų163134.9 Ų134.985%0.85373%0.731SS**  trans63.985.7147.7-52.1174.2000118.3
137S35.9Very low48.8Very low107 Ų107139 Ų13975%0.74875%0.751SS**  trans14.4130.6143.953.40000121
138P43.9Very low47.2Very low133 Ų133135.5 Ų135.586%0.86475%0.753SS**  trans-109.2115.1132.3118.6000109.9
139S34.2Very low45.6Very low109 Ų109136.8 Ų136.876%0.76277%0.765SS**  trans-75148.2173.9176.20000111.5
140M37Very low44.3Very low162 Ų162135.1 Ų135.180%0.79877%0.769SS**  trans72.397.3168.3-56.4-162.385.900118.8
141Y43.6Very low43.1Very low231 Ų231134.2 Ų134.291%0.90678%0.78SS**  trans-117.2127.8138-79.8-82.7000108.4
142P41.3Very low42.4Very low116 Ų116135.7 Ų135.775%0.75378%0.781SS**  trans-75.9135.5177.930.9-30.5000110.1C144P142-C144 PolarHBondContact O-N 3.23Å
143S31.3Very low42Very low119 Ų119136.4 Ų136.483%0.83279%0.79SS**  trans-56.9122.8169.1-173.30000110.2
144C40.9Very low42Very low131 Ų131137.9 Ų137.989%0.88580%0.803SS**  trans-124100.6164.7-156.50000109.2P142P142-C144 PolarHBondContact O-N 3.23Å
145S35.1Very low42.9Very low83 Ų83132.3 Ų132.358%0.5879%0.787SS**  trans-82.5145.6171630000111
146K39.1Very low43.8Very low193 Ų193130.2 Ų130.284%0.83977%0.773SS**  trans75.3104.4155.7-57173-175.5178.70118.2
147T46.1Very low45Very low142 Ų142127.3 Ų127.387%0.87176%0.764SS**  trans-148.7154.3139.538.40000110.5
148P39.6Very low46.9Very low119 Ų119131 Ų13177%0.77377%0.766SS**  trans-96.5156.7-144.836.6-33.5000115.4V150P148-V150 PolarHBondContact O-N 3.06Å
149V40.5Very low48.4Very low143 Ų143128.2 Ų128.287%0.86774%0.744SS**  trans-35.6112164.2178.30000113.4
150V44.5Very low50.1Low142 Ų142127.6 Ų127.686%0.86174%0.738SS**  trans-152.3107.2142.7-176.60000109.4P148P148-V150 PolarHBondContact O-N 3.06Å
151G37.7Very low51.5Low63 Ų63125.7 Ų125.765%0.64973%0.731SS**SBendtrans54.876.9140.400000120.1
152N46.9Very low52.5Low153 Ų153115.4 Ų115.482%0.81869%0.692SS**  trans156.993.2138-84-10.9000106.5V154N152-V154 VanDerWaalsContact C-N 3.3Å; N152-V154 PolarHBondContact O-N 3.14Å
153D50.4Low53.6Low160 Ų160115.3 Ų115.386%0.85668%0.684SS**  trans-63.793.5177.9-73.3-32.1000109.3C155D153-C155 PolarHBondContact O-N 3.06Å
154V55.9Low55.1Low141 Ų141115.3 Ų115.386%0.85568%0.675SS**  trans-69.379.1163.8-177.80000106.3N152 S156N152-V154 VanDerWaalsContact C-N 3.3Å; N152-V154 PolarHBondContact O-N 3.14Å; V154-S156 PolarHBondContact O-N 3.03Å
155C64.5Low55.9Low72 Ų72114.6 Ų114.649%0.48666%0.662SS.*  trans-65.4129.9171.5-88.60000108.7D153 V162D153-C155 PolarHBondContact O-N 3.06Å; C155-V162 HydrophobicContact CB-CG2 3.76Å
156S67.5Low57Low53 Ų53113.6 Ų113.637%0.37165%0.652SS.*  trans-58129.9171.6175.50000108.7V154 F158 D159 V162V154-S156 PolarHBondContact O-N 3.03Å; S156-F158 PolarHBondContact O-N 2.98Å; S156-F158 PolarHBondContact OG-N 3.49Å; S156-D159 PolarHBondContact O-N 3.39Å; S156-V162 WeakPolarHBondContact O-CG2 3.31Å
157P68.6Low57.8Low102 Ų102109.2 Ų109.266%0.66265%0.645SS**THydrogen-bonded Turntrans-63.4-2.9177.627.2-34.5000113.4
158F75.8Confident58.3Low183 Ų183111.1 Ų111.180%0.80364%0.644SS**THydrogen-bonded Turntrans-107.83.4177.6-54.5-70.9000113.8S156S156-F158 PolarHBondContact O-N 2.98Å; S156-F158 PolarHBondContact OG-N 3.49Å
159D76.5Confident58.9Low75 Ų75109.4 Ų109.440%0.40164%0.64SS.*  trans-67.2135.3175.5-101.9-43.1000110.4S156 N161 V162S156-D159 PolarHBondContact O-N 3.39Å; D159-N161 PolarHBondContact O-N 3.45Å; D159-V162 HydrophobicContact CB-CB 4.29Å; D159-V162 HydrophobicContact CB-CG2 3.61Å; D159-V162 WeakPolarHBondContact O-CB 3.46Å; D159-V162 PolarHBondContact O-N 2.87Å
160P69.3Low59.2Low97 Ų97109.8 Ų109.863%0.6363%0.634SS**THydrogen-bonded Turntrans-61.4-20.7-176.923.9-32.7000113
161N66.3Low59.4Low121 Ų121110.8 Ų110.865%0.64764%0.635SS**THydrogen-bonded Turntrans-90.9-4.6177.8-57-20.8000113.1D159D159-N161 PolarHBondContact O-N 3.45Å
162V64.7Low59.7Low16 Ų16112.4 Ų112.410%0.09764%0.636CS.*Hα-helixtrans-80.4-21.1179.91670000112.1C155 S156 D159 D164 N165 V166C155-V162 HydrophobicContact CB-CG2 3.76Å; S156-V162 WeakPolarHBondContact O-CG2 3.31Å; D159-V162 HydrophobicContact CB-CB 4.29Å; D159-V162 HydrophobicContact CB-CG2 3.61Å; D159-V162 WeakPolarHBondContact O-CB 3.46Å; D159-V162 PolarHBondContact O-N 2.87Å; V162-D164 VanDerWaalsContact C-N 3.27Å; V162-D164 PolarHBondContact O-N 3.37Å; V162-N165 PolarHBondContact O-N 2.92Å; V162-N165 VanDerWaalsContact O-N 3.08Å; V162-V166 HydrophobicContact CG1-CG2 3.51Å; V162-V166 WeakPolarHBondContact O-CB 3.33Å; V162-V166 VanDerWaalsContact O-CG2 3.3Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 3.11Å
163I63.8Low59.9Low113 Ų113110.3 Ų110.358%0.57963%0.631SS**Hα-helixtrans-59.6-39.5177.7-65.4173.3000111.1N165 V166 C167I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 2.99Å; I163-V166 PolarHBondContact O-N 3.29Å; I163-C167 PolarHBondContact O-N 3.27Å; I163-C167 PolarHBondContact O-SG 3.43Å
164D63.2Low60.1Low120 Ų120106.8 Ų106.864%0.64262%0.619SS**Hα-helixtrans-67.8-29.5178.7-65.9-28.2000112.4V162V162-D164 VanDerWaalsContact C-N 3.27Å; V162-D164 PolarHBondContact O-N 3.37Å
165N57.7Low60.2Low115 Ų115107.2 Ų107.262%0.61562%0.616SS**Hα-helixtrans-85.8-29177.2-69-27.5000113.1V162 I163V162-N165 PolarHBondContact O-N 2.92Å; V162-N165 VanDerWaalsContact O-N 3.08Å; I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 2.99Å
166V59.4Low59.9Low62 Ų62112.6 Ų112.638%0.37663%0.631SS.*Hα-helixtrans-75.8-29178.61690000111.9V162 I163 Q168 A169 M170V162-V166 HydrophobicContact CG1-CG2 3.51Å; V162-V166 WeakPolarHBondContact O-CB 3.33Å; V162-V166 VanDerWaalsContact O-CG2 3.3Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 3.11Å; I163-V166 PolarHBondContact O-N 3.29Å; V166-Q168 PolarHBondContact O-N 2.9Å; V166-A169 PolarHBondContact O-N 2.84Å; V166-M170 HydrophobicContact CG1-CG 4.06Å; V166-M170 HydrophobicContact CG1-SD 3.63Å
167C56Low59.2Low102 Ų102113.2 Ų113.269%0.68964%0.639SS**THydrogen-bonded Turntrans-65.1-17.4179.5-710000114.1I163I163-C167 PolarHBondContact O-N 3.27Å; I163-C167 PolarHBondContact O-SG 3.43Å
168Q55.1Low58.5Low181 Ų181118.5 Ų118.585%0.84665%0.652SS**THydrogen-bonded Turntrans-90.8-13.6179.9-71.5-173.46.200114.9V166V166-Q168 PolarHBondContact O-N 2.9Å
169A52.6Low57.5Low84 Ų84119 Ų11969%0.69465%0.654SS**THydrogen-bonded Turntrans-126-7.5-168.500000116.7V166 N171V166-A169 PolarHBondContact O-N 2.84Å; A169-N171 PolarHBondContact O-N 3.11Å
170M47.8Very low56.5Low151 Ų151124.9 Ų124.974%0.74468%0.676SS**  trans-93.675.6-176.3-75.8-164.9140.600113.8V166 S172V166-M170 HydrophobicContact CG1-CG 4.06Å; V166-M170 HydrophobicContact CG1-SD 3.63Å; M170-S172 PolarHBondContact O-N 3.41Å
171N47.3Very low55.4Low162 Ų162125.8 Ų125.887%0.86669%0.685SS**  trans-72.780155-74.4-37000109A169A169-N171 PolarHBondContact O-N 3.11Å
172S45.5Very low54.7Low97 Ų97125.6 Ų125.668%0.67869%0.687SS**  trans-65.5129.6176.582.60000110.1M170 S174M170-S172 PolarHBondContact O-N 3.41Å; S172-S174 PolarHBondContact O-N 2.89Å
173P49.6Very low54.3Low110 Ų110129.3 Ų129.371%0.71472%0.72SS**  trans-73.6102.5176.229.7-30.3000108.7L175P173-L175 PolarHBondContact O-N 3.17Å
174S54.5Low53.8Low86 Ų86126.9 Ų126.960%0.60171%0.713SS**  trans-70.496.9170.1-175.10000109.2S172 F176S172-S174 PolarHBondContact O-N 2.89Å; S174-F176 PolarHBondContact O-N 2.7Å; S174-F176 VanDerWaalsContact O-N 3.14Å
175L59.6Low53.6Low150 Ų150128.6 Ų128.679%0.78572%0.722SS**THydrogen-bonded Turntrans-68.5-1.5179.3-74167.3000114.4P173P173-L175 PolarHBondContact O-N 3.17Å
176F56.5Low53.4Low185 Ų185129.2 Ų129.281%0.81173%0.726SS**THydrogen-bonded Turntrans-128.47.6-174.9-62.5-71.6000115.1S174 F178S174-F176 PolarHBondContact O-N 2.7Å; S174-F176 VanDerWaalsContact O-N 3.14Å; F176-F178 PolarHBondContact O-N 3.41Å; F176-F178 VanDerWaalsContact O-N 3.08Å
177A53.2Low53.4Low66 Ų66134.3 Ų134.355%0.54575%0.75SS.*  trans-79.991.517100000109.9K179A177-K179 PolarHBondContact O-N 3.37Å
178F54.6Low54.2Low212 Ų212135.1 Ų135.193%0.9375%0.752SS**  trans-60.683.3160.5-88.8-88.7000109F176 K180F176-F178 PolarHBondContact O-N 3.41Å; F176-F178 VanDerWaalsContact O-N 3.08Å; F178-K180 PolarHBondContact O-N 3.31Å
179K53.5Low55.4Low195 Ų195133.7 Ų133.785%0.84874%0.743SS**  trans-67.1112165.7-87.8-174.7174.1-179.90107.2A177 S181A177-K179 PolarHBondContact O-N 3.37Å; K179-S181 PolarHBondContact O-N 2.89Å
180K55.9Low57Low198 Ų198137.5 Ų137.586%0.86175%0.747SS**  trans-46.1123.2161-106.5178173.1178.30107.7F178 V182F178-K180 PolarHBondContact O-N 3.31Å; K180-V182 VanDerWaalsContact C-N 3.33Å; K180-V182 PolarHBondContact O-N 3.48Å
181S45.8Very low58.8Low116 Ų116136.1 Ų136.181%0.81173%0.733SS**  trans-5293.2175.8167.60000110.2K179 A183K179-S181 PolarHBondContact O-N 2.89Å; S181-A183 PolarHBondContact O-N 2.88Å
182V52.4Low60.8Low116 Ų116130.3 Ų130.370%0.70371%0.705SS**  trans-73120.9157.1177.50000104.2K180 S184K180-V182 VanDerWaalsContact C-N 3.33Å; K180-V182 PolarHBondContact O-N 3.48Å; V182-S184 PolarHBondContact O-N 2.95Å
183A55.6Low62.8Low95 Ų95130.3 Ų130.379%0.78570%0.703SS**  trans-66.751.1176.500000112S181S181-A183 PolarHBondContact O-N 2.88Å
184S54.1Low64.8Low61 Ų61130.7 Ų130.743%0.42770%0.695SS.*  trans-84.5125.2162.560.40000106.8V182 N186V182-S184 PolarHBondContact O-N 2.95Å; S184-N186 WeakPolarHBondContact CB-ND2 3.41Å; S184-N186 PolarHBondContact O-N 2.93Å; S184-N186 PolarHBondContact OG-ND2 3.37Å; S184-N186 VanDerWaalsContact OG-ND2 3.12Å
185N58Low66.5Low157 Ų157130.5 Ų130.584%0.8469%0.685SS**  trans-64.531.1176.2-54.8-20.8000113.3L187N185-L187 PolarHBondContact O-N 3.35Å
186N54.1Low68Low128 Ų128128 Ų12868%0.68467%0.672SS**  trans-79.9100175.8-67.1-33.7000106.4S184 T188S184-N186 WeakPolarHBondContact CB-ND2 3.41Å; S184-N186 PolarHBondContact O-N 2.93Å; S184-N186 PolarHBondContact OG-ND2 3.37Å; S184-N186 VanDerWaalsContact OG-ND2 3.12Å; N186-T188 PolarHBondContact O-N 3.11Å
187L60.4Low69.7Low168 Ų168123.3 Ų123.388%0.8867%0.667SS**  trans-41.6108.8169.1-88.689.9000108.3N185 F189N185-L187 PolarHBondContact O-N 3.35Å; L187-F189 PolarHBondContact O-N 3.45Å
188T72Confident71.5Confident120 Ų120128.1 Ų128.174%0.73668%0.675SS**  trans-47.6119.6158.415.90000105.9N186 Q190N186-T188 PolarHBondContact O-N 3.11Å; T188-Q190 PolarHBondContact O-N 2.99Å
189F80.2Confident73.2Confident151 Ų151122.4 Ų122.466%0.66265%0.654SS**  trans-54.5107.2173174.5-99.1000107.5L187 W191L187-F189 PolarHBondContact O-N 3.45Å; F189-W191 AromaticContact CE1-CD1 3.64Å; F189-W191 AromaticContact CE1-CD2 3.9Å; F189-W191 HydrophobicContact CE1-CD2 3.9Å; F189-W191 AromaticContact CE1-CE2 3.46Å; F189-W191 VanDerWaalsContact CE1-CE2 3.46Å; F189-W191 HydrophobicContact CE1-CG 4.05Å; F189-W191 AromaticContact CE1-CZ2 3.98Å; F189-W191 HydrophobicContact CE1-CZ2 3.98Å; F189-W191 AromaticContact CE1-NE1 3.27Å; F189-W191 VanDerWaalsContact CE1-NE1 3.27Å; F189-W191 AromaticContact CZ-CD2 3.6Å; F189-W191 HydrophobicContact CZ-CD2 3.6Å; F189-W191 AromaticContact CZ-CE2 3.34Å; F189-W191 HydrophobicContact CZ-CE3 4Å; F189-W191 HydrophobicContact CZ-CG 4.15Å; F189-W191 AromaticContact CZ-CH2 3.99Å; F189-W191 HydrophobicContact CZ-CH2 3.99Å; F189-W191 AromaticContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ3 4.2Å; F189-W191 AromaticContact CZ-NE1 3.71Å
190Q85.3Confident74.8Confident164 Ų164120 Ų12077%0.76665%0.646SS**  trans-121.1116.3177.9-174.9176.46.300105.1T188 S192T188-Q190 PolarHBondContact O-N 2.99Å; Q190-S192 PolarHBondContact O-N 3.46Å
191W86.9Confident76.2Confident122 Ų122116.1 Ų116.146%0.46264%0.641SS.*  trans-59.6125.8169.6-69.1107.4000108.6F189 Q195 L196 I199F189-W191 AromaticContact CE1-CD1 3.64Å; F189-W191 AromaticContact CE1-CD2 3.9Å; F189-W191 HydrophobicContact CE1-CD2 3.9Å; F189-W191 AromaticContact CE1-CE2 3.46Å; F189-W191 VanDerWaalsContact CE1-CE2 3.46Å; F189-W191 HydrophobicContact CE1-CG 4.05Å; F189-W191 AromaticContact CE1-CZ2 3.98Å; F189-W191 HydrophobicContact CE1-CZ2 3.98Å; F189-W191 AromaticContact CE1-NE1 3.27Å; F189-W191 VanDerWaalsContact CE1-NE1 3.27Å; F189-W191 AromaticContact CZ-CD2 3.6Å; F189-W191 HydrophobicContact CZ-CD2 3.6Å; F189-W191 AromaticContact CZ-CE2 3.34Å; F189-W191 HydrophobicContact CZ-CE3 4Å; F189-W191 HydrophobicContact CZ-CG 4.15Å; F189-W191 AromaticContact CZ-CH2 3.99Å; F189-W191 HydrophobicContact CZ-CH2 3.99Å; F189-W191 AromaticContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ3 4.2Å; F189-W191 AromaticContact CZ-NE1 3.71Å; W191-Q195 HydrophobicContact CE3-CB 3.62Å; W191-Q195 HydrophobicContact CE3-CG 4.36Å; W191-Q195 HydrophobicContact CZ3-CB 4.15Å; W191-L196 HydrophobicContact CB-CD1 4.25Å; W191-L196 HydrophobicContact CB-CD2 3.61Å; W191-L196 HydrophobicContact CB-CG 3.66Å; W191-L196 HydrophobicContact CD2-CD2 4.35Å; W191-L196 HydrophobicContact CG-CD2 3.77Å; W191-L196 HydrophobicContact CG-CG 4.36Å; W191-I199 HydrophobicContact CD2-CD1 4.37Å; W191-I199 HydrophobicContact CE3-CD1 4.33Å; W191-I199 HydrophobicContact CH2-CD1 4.16Å; W191-I199 HydrophobicContact CZ2-CD1 4.22Å; W191-I199 HydrophobicContact CZ3-CD1 4.22Å
192S90Very high78Confident39 Ų39114.6 Ų114.627%0.27364%0.635SS.*  trans-66.7150.116994.90000109.1Q190 E194 Q195 L196Q190-S192 PolarHBondContact O-N 3.46Å; S192-E194 VanDerWaalsContact CB-OE2 3.28Å; S192-E194 WeakPolarHBondContact CB-OE2 3.39Å; S192-E194 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact O-N 3.17Å; S192-E194 PolarHBondContact OG-N 3.44Å; S192-E194 PolarHBondContact OG-OE2 2.94Å; S192-Q195 WeakPolarHBondContact O-CA 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.42Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.31Å; S192-Q195 PolarHBondContact OG-N 3.39Å; S192-L196 PolarHBondContact O-N 2.92Å
193P86.6Confident79.3Confident97 Ų97118 Ų11863%0.6364%0.64SS**Hα-helixtrans-52.4-35.9174.8-27.235.9000112.9Q195 L196 A197P193-Q195 VanDerWaalsContact C-N 3.34Å; P193-Q195 PolarHBondContact O-N 3.45Å; P193-L196 PolarHBondContact O-N 3.47Å; P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 3.19Å
194E91.9Very high80.3Confident119 Ų119120.5 Ų120.556%0.55664%0.64SS**Hα-helixtrans-69.1-30.4176.5-55.174.3-161.200112.6S192 K198S192-E194 VanDerWaalsContact CB-OE2 3.28Å; S192-E194 WeakPolarHBondContact CB-OE2 3.39Å; S192-E194 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact O-N 3.17Å; S192-E194 PolarHBondContact OG-N 3.44Å; S192-E194 PolarHBondContact OG-OE2 2.94Å; E194-K198 VanDerWaalsContact O-CG 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.3Å; E194-K198 PolarHBondContact O-N 2.92Å
195Q90.9Very high81.4Confident82 Ų82122.8 Ų122.838%0.38365%0.647SS.*Hα-helixtrans-73.1-44.8173.2-67.1174.1-40.300110.8W191 S192 P193 A197 K198 I199W191-Q195 HydrophobicContact CE3-CB 3.62Å; W191-Q195 HydrophobicContact CE3-CG 4.36Å; W191-Q195 HydrophobicContact CZ3-CB 4.15Å; S192-Q195 WeakPolarHBondContact O-CA 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.42Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.31Å; S192-Q195 PolarHBondContact OG-N 3.39Å; P193-Q195 VanDerWaalsContact C-N 3.34Å; P193-Q195 PolarHBondContact O-N 3.45Å; Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 2.9Å; Q195-K198 PolarHBondContact O-N 2.84Å; Q195-I199 WeakPolarHBondContact O-CG1 3.23Å; Q195-I199 PolarHBondContact O-N 2.77Å
196L90.7Very high82Confident97 Ų97123.2 Ų123.251%0.50864%0.644SS.*Hα-helixtrans-59.5-39.3175.1-68.5177.5000111.6W191 S192 P193 K198 I199W191-L196 HydrophobicContact CB-CD1 4.25Å; W191-L196 HydrophobicContact CB-CD2 3.61Å; W191-L196 HydrophobicContact CB-CG 3.66Å; W191-L196 HydrophobicContact CD2-CD2 4.35Å; W191-L196 HydrophobicContact CG-CD2 3.77Å; W191-L196 HydrophobicContact CG-CG 4.36Å; S192-L196 PolarHBondContact O-N 2.92Å; P193-L196 PolarHBondContact O-N 3.47Å; L196-K198 PolarHBondContact O-N 3.01Å; L196-I199 HydrophobicContact CD2-CD1 4.01Å; L196-I199 PolarHBondContact O-N 3.03Å
197A91.5Very high82.9Confident87 Ų87124.5 Ų124.572%0.71965%0.651SS**THydrogen-bonded Turntrans-65.7-20.6177.100000113.9P193 Q195P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 3.19Å; Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 2.9Å
198K91.3Very high82.9Confident166 Ų166118.6 Ų118.672%0.72263%0.631SS**THydrogen-bonded Turntrans-90.4-16.3177-72.2173.4-175.9-178.90113.4E194 Q195 L196 Q200E194-K198 VanDerWaalsContact O-CG 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.3Å; E194-K198 PolarHBondContact O-N 2.92Å; Q195-K198 PolarHBondContact O-N 2.84Å; L196-K198 PolarHBondContact O-N 3.01Å; K198-Q200 PolarHBondContact O-N 3.36Å
199I89.6Confident82.1Confident93 Ų93117.1 Ų117.148%0.47762%0.622SS.*  trans-71.5101.4177.2-61.9171.4000107.4W191 Q195 L196W191-I199 HydrophobicContact CD2-CD1 4.37Å; W191-I199 HydrophobicContact CE3-CD1 4.33Å; W191-I199 HydrophobicContact CH2-CD1 4.16Å; W191-I199 HydrophobicContact CZ2-CD1 4.22Å; W191-I199 HydrophobicContact CZ3-CD1 4.22Å; Q195-I199 WeakPolarHBondContact O-CG1 3.23Å; Q195-I199 PolarHBondContact O-N 2.77Å; L196-I199 HydrophobicContact CD2-CD1 4.01Å; L196-I199 PolarHBondContact O-N 3.03Å
200Q88.6Confident81.1Confident145 Ų145113 Ų11368%0.67861%0.612SS**PPolyproline II helixtrans-67.6144.3169.5-66.3-174.70.100108.8K198 A202K198-Q200 PolarHBondContact O-N 3.36Å; Q200-A202 PolarHBondContact O-N 3.3Å
201P85Confident79.9Confident116 Ų116114.1 Ų114.175%0.75362%0.617SS**PPolyproline II helixtrans-48.1134.7167-23.332.3000108.8K203P201-K203 PolarHBondContact O-N 3.49Å
202A82.8Confident78.7Confident84 Ų84116.6 Ų116.669%0.69463%0.631SS**PPolyproline II helixtrans-52.8118174.300000107.4Q200 L204Q200-A202 PolarHBondContact O-N 3.3Å; A202-L204 VanDerWaalsContact C-N 3.25Å; A202-L204 PolarHBondContact O-N 2.79Å
203K80.4Confident77.4Confident186 Ų186121.8 Ų121.881%0.80965%0.651SS**  trans-64.298.4170.6-73.1-173.4178.9-176.40105.5P201 D205P201-K203 PolarHBondContact O-N 3.49Å; K203-D205 PolarHBondContact O-N 3.28Å
204L75.9Confident76.1Confident148 Ų148124.6 Ų124.678%0.77566%0.661SS**  trans-63.5117.4166.1-62.4175.1000104.5A202 E206A202-L204 VanDerWaalsContact C-N 3.25Å; A202-L204 PolarHBondContact O-N 2.79Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 3.35Å
205D78.2Confident74.8Confident109 Ų109123.5 Ų123.558%0.58367%0.665SS**  trans-60.6102.6173.5-170.84.9000106.8K203 D207 G208K203-D205 PolarHBondContact O-N 3.28Å; D205-D207 PolarHBondContact O-N 2.69Å; D205-D207 WeakPolarHBondContact OD1-CB 3.21Å; D205-D207 PolarHBondContact OD1-N 2.88Å; D205-G208 CarbonylContact O-C 3.59Å; D205-G208 WeakPolarHBondContact O-CA 3.4Å; D205-G208 PolarHBondContact O-N 3.16Å
206E70.8Confident73.9Confident167 Ų167126 Ų12678%0.7868%0.675SS**G310 helixtrans-60.9-30.6179.9-65.6-170.4171.200109.7L204 G208 T209L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 3.35Å; E206-G208 VanDerWaalsContact C-N 3.28Å; E206-G208 PolarHBondContact O-N 3.48Å; E206-T209 PolarHBondContact O-OG1 2.92Å
207D71.8Confident73.6Confident155 Ų155124.1 Ų124.183%0.82967%0.67SS**G310 helixtrans-77.7-16.5176.5-54.8-32.3000112.2D205D205-D207 PolarHBondContact O-N 2.69Å; D205-D207 WeakPolarHBondContact OD1-CB 3.21Å; D205-D207 PolarHBondContact OD1-N 2.88Å
208G59.7Low73.6Confident44 Ų44125 Ų12545%0.45467%0.668SS.*G310 helixtrans-92.98.6177.900000114D205 E206 S210D205-G208 CarbonylContact O-C 3.59Å; D205-G208 WeakPolarHBondContact O-CA 3.4Å; D205-G208 PolarHBondContact O-N 3.16Å; E206-G208 VanDerWaalsContact C-N 3.28Å; E206-G208 PolarHBondContact O-N 3.48Å; G208-S210 PolarHBondContact O-N 3.19Å
209T57Low73.6Confident88 Ų88125.1 Ų125.154%0.5467%0.669SS.*SBendtrans-59.694.116528.10000107.3E206 E211E206-T209 PolarHBondContact O-OG1 2.92Å; T209-E211 PolarHBondContact O-N 3Å; T209-E211 VanDerWaalsContact O-N 3.09Å
210S59.1Low73.7Confident66 Ų66126.2 Ų126.246%0.46267%0.67SS.*  trans-47.3126.7-178.465.10000107.4G208 K212 E213G208-S210 PolarHBondContact O-N 3.19Å; S210-K212 PolarHBondContact O-N 2.96Å; S210-E213 PolarHBondContact O-N 3.31Å
211E60.1Low73.9Confident186 Ų186124 Ų12487%0.86966%0.66SS**THydrogen-bonded Turntrans-50.9-11.5-177.9-62.1-179.1152.600113.2T209 N214T209-E211 PolarHBondContact O-N 3Å; T209-E211 VanDerWaalsContact O-N 3.09Å; E211-N214 PolarHBondContact O-N 3.31Å
212K61.2Low74.4Confident175 Ų175126.2 Ų126.276%0.76166%0.657SS**THydrogen-bonded Turntrans-63.6-28.4170.2-67-176.4177.3175.90114.9S210 N214 C215S210-K212 PolarHBondContact O-N 2.96Å; K212-N214 VanDerWaalsContact C-N 3.32Å; K212-C215 WeakPolarHBondContact O-CB 3.37Å; K212-C215 PolarHBondContact O-N 3.42Å
213E61.6Low75Confident147 Ų147128.5 Ų128.569%0.68765%0.654SS**G310 helixtrans-73.9-23.6178.5-74.4-169.1162.100112.8S210 C215S210-E213 PolarHBondContact O-N 3.31Å; E213-C215 PolarHBondContact O-N 2.85Å
214N60.8Low75.7Confident156 Ų156123.1 Ų123.183%0.83463%0.633SS**G310 helixtrans-82.410.1173.8-98.5-11.8000114.1E211 K212 F216E211-N214 PolarHBondContact O-N 3.31Å; K212-N214 VanDerWaalsContact C-N 3.32Å; N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.48Å
215C63.2Low76.6Confident97 Ų97120 Ų12066%0.65562%0.615SS**G310 helixtrans-82.5-1.6-168.9-150.70000114.7K212 E213 S217K212-C215 WeakPolarHBondContact O-CB 3.37Å; K212-C215 PolarHBondContact O-N 3.42Å; E213-C215 PolarHBondContact O-N 2.85Å; C215-S217 PolarHBondContact O-N 2.97Å
216F72.7Confident77.5Confident135 Ų135117.6 Ų117.659%0.59261%0.61SS**SBendtrans-90.4103.9169.6-66.5-72.8000110N214 I224N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.48Å; F216-I224 HydrophobicContact CD1-CD1 4.37Å; F216-I224 HydrophobicContact CE1-CD1 4.45Å
217S85.1Confident78.7Confident57 Ų57112.7 Ų112.740%0.39960%0.598SS.*  trans-55.2141.8170.669.30000109.4C215 K219 K220 E221C215-S217 PolarHBondContact O-N 2.97Å; S217-K219 PolarHBondContact O-N 2.91Å; S217-K220 PolarHBondContact O-N 3.01Å; S217-K220 PolarHBondContact OG-N 3.29Å; S217-E221 PolarHBondContact O-N 3.22Å; S217-E221 VanDerWaalsContact O-N 3.17Å
218P90.2Very high79.7Confident104 Ų104108.7 Ų108.768%0.67558%0.575SS**Hα-helixtrans-53.7-23.6179.2-28.634.2000113.8K222P218-K222 WeakPolarHBondContact O-CG 3.45Å; P218-K222 PolarHBondContact O-N 3.37Å
219K92.6Very high81.4Confident169 Ų169110.2 Ų110.274%0.73557%0.573SS**Hα-helixtrans-69.7-44.5173.9-171.6178.7178.7-177.20112.2S217 K222 E223S217-K219 PolarHBondContact O-N 2.91Å; K219-K222 PolarHBondContact O-N 2.86Å; K219-E223 PolarHBondContact O-N 3.15Å; K219-E223 VanDerWaalsContact O-N 3.11Å
220K91.1Very high83.2Confident117 Ų117109.8 Ų109.851%0.50957%0.574SS.*Hα-helixtrans-66-40.2176.6-79.7-170.4175.2-177.70111.7S217 K222 E223 I224S217-K220 PolarHBondContact O-N 3.01Å; S217-K220 PolarHBondContact OG-N 3.29Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 3.06Å; K220-E223 WeakPolarHBondContact O-CB 3.38Å; K220-E223 PolarHBondContact O-N 3.17Å; K220-E223 VanDerWaalsContact O-N 3.15Å; K220-I224 VanDerWaalsContact O-CG1 3.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.26Å; K220-I224 PolarHBondContact O-N 3Å
221E92.7Very high84.9Confident98 Ų98111.8 Ų111.846%0.45857%0.574SS.*Hα-helixtrans-60.3-42.8176.5-177.561.3-170.100111.6S217 E223 I224 Q225S217-E221 PolarHBondContact O-N 3.22Å; S217-E221 VanDerWaalsContact O-N 3.17Å; E221-E223 VanDerWaalsContact C-N 3.33Å; E221-E223 PolarHBondContact O-N 3.37Å; E221-I224 PolarHBondContact O-N 3.31Å; E221-Q225 WeakPolarHBondContact O-CB 3.31Å; E221-Q225 PolarHBondContact O-N 3.26Å
222K95.1Very high86.4Confident162 Ų162108.3 Ų108.370%0.70456%0.557SS**Hα-helixtrans-62.4-38.7174.3-75.7-179.7-180-175.60113P218 K219 K220 A226P218-K222 WeakPolarHBondContact O-CG 3.45Å; P218-K222 PolarHBondContact O-N 3.37Å; K219-K222 PolarHBondContact O-N 2.86Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 3.06Å; K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 3.43Å
223E96.3Very high87.9Confident132 Ų132106.5 Ų106.562%0.61756%0.556SS**Hα-helixtrans-66.5-42.9177.1-173.1178.3178.300111.5K219 K220 E221 A226 A227K219-E223 PolarHBondContact O-N 3.15Å; K219-E223 VanDerWaalsContact O-N 3.11Å; K220-E223 WeakPolarHBondContact O-CB 3.38Å; K220-E223 PolarHBondContact O-N 3.17Å; K220-E223 VanDerWaalsContact O-N 3.15Å; E221-E223 VanDerWaalsContact C-N 3.33Å; E221-E223 PolarHBondContact O-N 3.37Å; E223-A226 PolarHBondContact O-N 2.93Å; E223-A227 PolarHBondContact O-N 3.39Å
224I94.7Very high89.3Confident73 Ų73102.5 Ų102.537%0.37454%0.543SS..Hα-helixtrans-62.4-46.9175.3-67.4165.4000110.2F216 K220 E221 A226 A227 I228F216-I224 HydrophobicContact CD1-CD1 4.37Å; F216-I224 HydrophobicContact CE1-CD1 4.45Å; K220-I224 VanDerWaalsContact O-CG1 3.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.26Å; K220-I224 PolarHBondContact O-N 3Å; E221-I224 PolarHBondContact O-N 3.31Å; I224-A226 PolarHBondContact O-N 2.7Å; I224-A227 PolarHBondContact O-N 3.49Å; I224-I228 HydrophobicContact CG2-CD1 3.89Å; I224-I228 WeakPolarHBondContact O-CG1 3.47Å; I224-I228 PolarHBondContact O-N 3.2Å
225Q95.6Very high90.5Very high84 Ų8497.2 Ų97.239%0.39353%0.526SS..Hα-helixtrans-62.3-42.3178.9-171.660.456.500111.8E221 A227 I228 D229E221-Q225 WeakPolarHBondContact O-CB 3.31Å; E221-Q225 PolarHBondContact O-N 3.26Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.92Å; Q225-I228 PolarHBondContact O-N 3.19Å; Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact O-N 3.17Å
226A96.5Very high91.5Very high58 Ų5898.4 Ų98.448%0.47953%0.525SS..Hα-helixtrans-62.8-37.1176.500000112.7K222 E223 I224 S230K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 3.43Å; E223-A226 PolarHBondContact O-N 2.93Å; I224-A226 PolarHBondContact O-N 2.7Å; A226-S230 WeakPolarHBondContact O-CB 3.5Å; A226-S230 PolarHBondContact O-N 3.14Å
227A95.8Very high92Very high64 Ų6494.5 Ų94.553%0.52951%0.512SS..Hα-helixtrans-67.6-38.9175.100000112.2E223 I224 Q225 F231E223-A227 PolarHBondContact O-N 3.39Å; I224-A227 PolarHBondContact O-N 3.49Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.92Å; A227-F231 WeakPolarHBondContact O-CB 3.28Å; A227-F231 PolarHBondContact O-N 3.38Å
228I93.7Very high91.5Very high70 Ų7099.5 Ų99.536%0.35953%0.529SS..Hα-helixtrans-64.2-47.9174.9-68.4168.6000110.2I224 Q225 S230 F231 F232I224-I228 HydrophobicContact CG2-CD1 3.89Å; I224-I228 WeakPolarHBondContact O-CG1 3.47Å; I224-I228 PolarHBondContact O-N 3.2Å; Q225-I228 PolarHBondContact O-N 3.19Å; I228-S230 PolarHBondContact O-N 3.08Å; I228-F231 WeakPolarHBondContact O-CB 3.5Å; I228-F231 PolarHBondContact O-N 3.09Å; I228-F231 VanDerWaalsContact O-N 3.1Å; I228-F232 HydrophobicContact CG2-CD2 3.78Å; I228-F232 HydrophobicContact CG2-CE2 3.69Å; I228-F232 VanDerWaalsContact O-CD2 3.28Å; I228-F232 WeakPolarHBondContact O-CD2 3.41Å; I228-F232 PolarHBondContact O-N 2.94Å; I228-F232 VanDerWaalsContact O-N 3.08Å
229D95Very high90.8Very high77 Ų7799.3 Ų99.341%0.41253%0.528SS..Hα-helixtrans-60.9-46.2179.8-65-18000110.4Q225 F231 F232 D233Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact O-N 3.17Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.32Å; D229-F232 PolarHBondContact O-N 2.72Å; D229-F232 VanDerWaalsContact O-N 3.16Å; D229-D233 WeakPolarHBondContact O-CB 3.3Å; D229-D233 VanDerWaalsContact O-CG 3.29Å; D229-D233 PolarHBondContact O-N 3.49Å
230S95.1Very high90Very high79 Ų7996.2 Ų96.255%0.55253%0.528SS*.Hα-helixtrans-59.3-34.2174.7-179.20000113.3A226 I228 S234A226-S230 WeakPolarHBondContact O-CB 3.5Å; A226-S230 PolarHBondContact O-N 3.14Å; I228-S230 PolarHBondContact O-N 3.08Å; S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 VanDerWaalsContact O-N 3.16Å
231F93.6Very high89.3Confident107 Ų10796.2 Ų96.247%0.46954%0.539SS..Hα-helixtrans-69-42.2176.9174.3-108.9000111.8A227 I228 D229 S234 V237A227-F231 WeakPolarHBondContact O-CB 3.28Å; A227-F231 PolarHBondContact O-N 3.38Å; I228-F231 WeakPolarHBondContact O-CB 3.5Å; I228-F231 PolarHBondContact O-N 3.09Å; I228-F231 VanDerWaalsContact O-N 3.1Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.32Å; F231-S234 PolarHBondContact O-OG 3.24Å; F231-V237 HydrophobicContact CD1-CG2 3.85Å; F231-V237 HydrophobicContact CE1-CG2 3.12Å; F231-V237 HydrophobicContact CE2-CG2 4.26Å; F231-V237 HydrophobicContact CZ-CG2 3.35Å
232F91.3Very high88.3Confident113 Ų11399.9 Ų99.950%0.49656%0.557SS.*Hα-helixtrans-72.4-35.4176.4-76.4-75.4000112.7I228 D229 S234 G235 V237I228-F232 HydrophobicContact CG2-CD2 3.78Å; I228-F232 HydrophobicContact CG2-CE2 3.69Å; I228-F232 VanDerWaalsContact O-CD2 3.28Å; I228-F232 WeakPolarHBondContact O-CD2 3.41Å; I228-F232 PolarHBondContact O-N 2.94Å; I228-F232 VanDerWaalsContact O-N 3.08Å; D229-F232 PolarHBondContact O-N 2.72Å; D229-F232 VanDerWaalsContact O-N 3.16Å; F232-S234 VanDerWaalsContact C-N 3.27Å; F232-S234 PolarHBondContact O-N 3.05Å; F232-G235 PolarHBondContact O-N 3.41Å; F232-V237 HydrophobicContact CD1-CB 3.95Å; F232-V237 HydrophobicContact CD1-CG1 4.22Å; F232-V237 HydrophobicContact CD1-CG2 4.23Å; F232-V237 HydrophobicContact CE1-CB 4.02Å; F232-V237 HydrophobicContact CE1-CG1 3.82Å; F232-V237 HydrophobicContact CE1-CG2 4.17Å
233D92.6Very high86.8Confident138 Ų138100.5 Ų100.574%0.73857%0.567SS**Hα-helixtrans-68.7-24.9177.1-72.8-15.5000112.9D229 G235D229-D233 WeakPolarHBondContact O-CB 3.3Å; D229-D233 VanDerWaalsContact O-CG 3.29Å; D229-D233 PolarHBondContact O-N 3.49Å; D233-G235 PolarHBondContact O-N 3.46Å
234S92Very high85Confident62 Ų6296.6 Ų96.643%0.43456%0.562SS.*THydrogen-bonded Turntrans-64.2-8.7175.975.40000114.1S230 F231 F232 L236S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 VanDerWaalsContact O-N 3.16Å; F231-S234 PolarHBondContact O-OG 3.24Å; F232-S234 VanDerWaalsContact C-N 3.27Å; F232-S234 PolarHBondContact O-N 3.05Å; S234-L236 PolarHBondContact O-N 3.31Å; S234-L236 VanDerWaalsContact O-N 3.14Å; S234-L236 WeakPolarHBondContact OG-CB 3.32Å; S234-L236 WeakPolarHBondContact OG-CD1 3.46Å; S234-L236 VanDerWaalsContact OG-CG 3.3Å; S234-L236 WeakPolarHBondContact OG-CG 3.43Å; S234-L236 PolarHBondContact OG-N 3.05Å
235G85.6Confident83.2Confident46 Ų46100.3 Ų100.347%0.47459%0.588SS.*THydrogen-bonded Turntrans68.75.9-178.600000114F232 D233 V237F232-G235 PolarHBondContact O-N 3.41Å; D233-G235 PolarHBondContact O-N 3.46Å; G235-V237 VanDerWaalsContact C-N 3.28Å; G235-V237 PolarHBondContact O-N 3.36Å
236L85.3Confident81.4Confident121 Ų121101.1 Ų101.163%0.63460%0.603SS**  trans-71.4-25178.8-68176.3000112.5S234S234-L236 PolarHBondContact O-N 3.31Å; S234-L236 VanDerWaalsContact O-N 3.14Å; S234-L236 WeakPolarHBondContact OG-CB 3.32Å; S234-L236 WeakPolarHBondContact OG-CD1 3.46Å; S234-L236 VanDerWaalsContact OG-CG 3.3Å; S234-L236 WeakPolarHBondContact OG-CG 3.43Å; S234-L236 PolarHBondContact OG-N 3.05Å
237V81.2Confident79.3Confident53 Ų53103.2 Ų103.232%0.32162%0.621SS.*SBendtrans-99.3100173.1-1710000108.5F231 F232 G235F231-V237 HydrophobicContact CD1-CG2 3.85Å; F231-V237 HydrophobicContact CE1-CG2 3.12Å; F231-V237 HydrophobicContact CE2-CG2 4.26Å; F231-V237 HydrophobicContact CZ-CG2 3.35Å; F232-V237 HydrophobicContact CD1-CB 3.95Å; F232-V237 HydrophobicContact CD1-CG1 4.22Å; F232-V237 HydrophobicContact CD1-CG2 4.23Å; F232-V237 HydrophobicContact CE1-CB 4.02Å; F232-V237 HydrophobicContact CE1-CG1 3.82Å; F232-V237 HydrophobicContact CE1-CG2 4.17Å; G235-V237 VanDerWaalsContact C-N 3.28Å; G235-V237 PolarHBondContact O-N 3.36Å
238H75Confident77.7Confident162 Ų162106.2 Ų106.275%0.7563%0.628SS**PPolyproline II helixtrans-63.6131.5164.2-79-71.2000108.6S240H238-S240 PolarHBondContact O-N 3.02Å
239P75.8Confident75.7Confident101 Ų101108.9 Ų108.966%0.65665%0.649SS**PPolyproline II helixtrans-52.9139.2168.924-32.3000107.8
240S76.4Confident73.9Confident103 Ų103111.6 Ų111.672%0.7266%0.664SS**PPolyproline II helixtrans-46.3134.3174.3-61.60000108.6H238 Q242H238-S240 PolarHBondContact O-N 3.02Å; S240-Q242 PolarHBondContact O-N 2.9Å
241P77Confident71.6Confident117 Ų117112.8 Ų112.876%0.7667%0.672SS**  trans-48.6113.7-177.3-24.630.9000107.9L243P241-L243 PolarHBondContact O-N 3.07Å
242Q71.7Confident70Confident176 Ų176117.5 Ų117.582%0.82269%0.692SS**  trans-61.6111.9174.4-69.6-174.4-10.900104.5S240 G244S240-Q242 PolarHBondContact O-N 2.9Å; Q242-G244 PolarHBondContact O-N 3.3Å
243L63.5Low68.2Low174 Ų174118.2 Ų118.291%0.91171%0.706SS**  trans-68.142.2166.7-81148.3000109.4P241 T245P241-L243 PolarHBondContact O-N 3.07Å; L243-T245 PolarHBondContact O-N 3.04Å
244G57.4Low65.9Low50 Ų50117.4 Ų117.452%0.51571%0.712SS.*  trans-74.1109.317800000107.9Q242 S246Q242-G244 PolarHBondContact O-N 3.3Å; G244-S246 PolarHBondContact O-N 3.49Å
245T58.1Low64.2Low151 Ų151121.1 Ų121.193%0.92673%0.731SS**  trans-66.331.9175.645.10000113.8L243L243-T245 PolarHBondContact O-N 3.04Å
246S56.7Low62.6Low101 Ų101123.9 Ų123.971%0.70674%0.743SS**  trans-102.4104.9174.271.10000110G244 N248G244-S246 PolarHBondContact O-N 3.49Å; S246-N248 PolarHBondContact O-N 2.93Å
247A53.8Low60.8Low103 Ų103127 Ų12785%0.85176%0.755SS**  trans-55.993.5171.200000111
248N60.3Low59.2Low127 Ų127129.5 Ų129.568%0.67978%0.775SS**  trans-148.196.7153.2-134.3-16.7000108.8S246 L250S246-N248 PolarHBondContact O-N 2.93Å; N248-L250 PolarHBondContact O-N 3.23Å
249P52.8Low58Low125 Ų125127.7 Ų127.781%0.81278%0.777SS**  trans-73.881.2178.231.2-31.9000108.7S251P249-S251 VanDerWaalsContact C-N 3.31Å; P249-S251 PolarHBondContact O-N 3.41Å
250L56.5Low57.2Low135 Ų135129.1 Ų129.171%0.70778%0.784SS**  trans-72.993.1167.6-74.9170.1000108.3N248 F252N248-L250 PolarHBondContact O-N 3.23Å; L250-F252 PolarHBondContact O-N 3.15Å; L250-F252 VanDerWaalsContact O-N 3.11Å
251S47.6Very low56.1Low104 Ų104128.8 Ų128.873%0.72779%0.787SS**  trans28.573.9144.558.20000115.7P249 T253P249-S251 VanDerWaalsContact C-N 3.31Å; P249-S251 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact O-N 3.03Å; S251-T253 VanDerWaalsContact O-N 3.14Å
252F58.5Low54.9Low205 Ų205132.9 Ų132.990%0.89979%0.793SS**  trans-65109.3153.8-82.9-87.2000107.3L250 S254L250-F252 PolarHBondContact O-N 3.15Å; L250-F252 VanDerWaalsContact O-N 3.11Å; F252-S254 PolarHBondContact O-N 3.02Å
253T54.3Low54.2Low128 Ų128130.6 Ų130.679%0.78580%0.795SS**  trans-48.5120.4164.736.80000108.9S251 V255S251-T253 PolarHBondContact O-N 3.03Å; S251-T253 VanDerWaalsContact O-N 3.14Å; T253-V255 PolarHBondContact O-N 2.82Å; T253-V255 VanDerWaalsContact O-N 3.1Å
254S44.4Very low53.3Low122 Ų122128.8 Ų128.885%0.85379%0.791SS**  trans-49.8106.2-174.852.10000112.9F252F252-S254 PolarHBondContact O-N 3.02Å
255V55.5Low53.6Low139 Ų139130.3 Ų130.384%0.84280%0.799SS**  trans-95.6122.8156.5-178.90000106.5T253 E257T253-V255 PolarHBondContact O-N 2.82Å; T253-V255 VanDerWaalsContact O-N 3.1Å; V255-E257 PolarHBondContact O-N 3.05Å
256S53Low53.5Low105 Ų105133.4 Ų133.473%0.73480%0.8SS**  trans-60.8123.7-170.6620000113.4
257E46.9Very low53.6Low186 Ų186138.3 Ų138.387%0.86981%0.808SS**  trans41.497.7139.4-65.6-177.4151.700119V255V255-E257 PolarHBondContact O-N 3.05Å
258S48.2Very low53.7Low106 Ų106144.2 Ų144.274%0.74181%0.809SS**  trans-95.8128.6145.7175.10000108.7V260S258-V260 PolarHBondContact O-N 2.77Å
259P49.3Very low53.4Low124 Ų124145.2 Ų145.281%0.80582%0.819SS**  trans-8793-173.333.8-30.9000110.3
260V59.7Low53.9Low130 Ų130147.6 Ų147.679%0.78882%0.817SS**  trans-126.7120.4162.2-175.20000109.1S258S258-V260 PolarHBondContact O-N 2.77Å
261A53Low54Low97 Ų97147.5 Ų147.580%0.80282%0.822SS**  trans-43.4131-166.400000116.3C263A261-C263 PolarHBondContact O-N 2.89Å
262K51.5Low54.7Low203 Ų203151.2 Ų151.288%0.88383%0.825SS**  trans-69.7107.6165.6-66.7173.5-178.5171.20109.2
263C56.3Low54.9Low127 Ų127149 Ų14986%0.85882%0.823SS**  trans-100.493.7165.2-153.30000108.8A261 A265A261-C263 PolarHBondContact O-N 2.89Å; C263-A265 PolarHBondContact O-N 3.19Å
264T46.3Very low55.3Low136 Ų136147 Ų14783%0.83482%0.819SS**  trans-84.998.1176500000110
265A63.3Low56.5Low83 Ų83149.2 Ų149.269%0.68682%0.82SS**  trans-141104.4163.800000110.3C263 K267C263-A265 PolarHBondContact O-N 3.19Å; A265-K267 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact O-N 3.12Å
266K55.2Low56.9Low216 Ų216148 Ų14894%0.93982%0.816SS**  trans-60.5105.2167.6-67.2174.4176.5176.60108.7
267K60.2Low58.2Low203 Ų203151.3 Ų151.388%0.88382%0.82SS**  trans-160.2119.4166.3-115.5167.2-174.5175.40112.4A265A265-K267 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact O-N 3.12Å
268R54.4Low59.6Low227 Ų227147.8 Ų147.886%0.85781%0.811SS**  trans17.8119.4162.3-71.4-175.4172.7-171.9-3.2117.6K270R268-K270 PolarHBondContact O-N 2.8Å
269V55.3Low61.4Low148 Ų148149.1 Ų149.190%0.89781%0.809SS**  trans-56.493.3170.2-1760000109.9
270K62.2Low62.8Low175 Ų175150.8 Ų150.876%0.76180%0.804SS**  trans-99.4122.1157.2-71.2-174.2177.2-173.90105.8R268 K272R268-K270 PolarHBondContact O-N 2.8Å; K270-K272 PolarHBondContact O-N 3.49Å
271T59.9Low64Low133 Ų133150.1 Ų150.182%0.81680%0.801SS**  trans-60.685.3172.248.70000109.2N273T271-N273 PolarHBondContact O-N 3.24Å
272K60.7Low65.6Low183 Ų183150.8 Ų150.880%0.79679%0.786SS**  trans-78.1116.9168.4-78.3-176.4174.5-178.80106.7K270 A274K270-K272 PolarHBondContact O-N 3.49Å; K272-A274 PolarHBondContact O-N 3.12Å
273N63.2Low67.5Low158 Ų158145.2 Ų145.285%0.84577%0.77SS**  trans-53.2106.1162.4-71.7-29.5000107.3T271 I275T271-N273 PolarHBondContact O-N 3.24Å; N273-I275 PolarHBondContact O-N 3.34Å
274A63Low69Low87 Ų87146 Ų14672%0.71977%0.773SS**  trans-76.3111173.700000107K272 C276K272-A274 PolarHBondContact O-N 3.12Å; A274-C276 PolarHBondContact O-N 2.82Å; A274-C276 VanDerWaalsContact O-N 3.11Å
275I69.3Low71.1Confident167 Ų167149 Ų14986%0.85678%0.775SS**  trans-71.4102.4165.2-62.1172.9000105.7N273N273-I275 PolarHBondContact O-N 3.34Å
276C64.6Low72.4Confident114 Ų114148.3 Ų148.377%0.7776%0.757SS**  trans-86.8111.1168.638.70000108.4A274A274-C276 PolarHBondContact O-N 2.82Å; A274-C276 VanDerWaalsContact O-N 3.11Å
277Q80.4Confident74.1Confident174 Ų174141.4 Ų141.481%0.81373%0.73SS**  trans-86.3113.2167.1-176.5175.12.200107.9L279Q277-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact O-N 3.11Å
278T75.7Confident75.4Confident112 Ų112136.6 Ų136.669%0.68771%0.712SS**  trans-72.6103.7174.4-36.10000108.7F280T278-F280 HydrophobicContact CG2-CE2 4.33Å; T278-F280 PolarHBondContact O-N 2.98Å
279L85.7Confident76.8Confident134 Ų134130.6 Ų130.670%0.70270%0.697SS**  trans-81.3111171.5-172.673.4000108.5Q277 T281Q277-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact O-N 3.11Å; L279-T281 HydrophobicContact CD2-CG2 3.91Å; L279-T281 HydrophobicContact CG-CG2 4.18Å; L279-T281 PolarHBondContact O-N 3.4Å
280F79.8Confident78.3Confident159 Ų159128 Ų12870%0.69767%0.674SS**  trans-78111.4168.4-78.5-86000109T278 F282T278-F280 HydrophobicContact CG2-CE2 4.33Å; T278-F280 PolarHBondContact O-N 2.98Å; F280-F282 HydrophobicContact CB-CE2 4.21Å; F280-F282 HydrophobicContact CB-CZ 4.31Å
281T83.9Confident79.4Confident117 Ų117126.7 Ų126.772%0.71867%0.668SS**PPolyproline II helixtrans-99.1122.5169.845.20000109.3L279L279-T281 HydrophobicContact CD2-CG2 3.91Å; L279-T281 HydrophobicContact CG-CG2 4.18Å; L279-T281 PolarHBondContact O-N 3.4Å
282F87.8Confident80.6Confident111 Ų111123.8 Ų123.849%0.48765%0.648SS.*PPolyproline II helixtrans-96147.8172.9-61.6-78000109.8F280 F286 M288F280-F282 HydrophobicContact CB-CE2 4.21Å; F280-F282 HydrophobicContact CB-CZ 4.31Å; F282-F286 HydrophobicContact CB-CB 3.8Å; F282-F286 HydrophobicContact CB-CD1 3.96Å; F282-F286 HydrophobicContact CB-CG 3.94Å; F282-F286 AromaticContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD2 4.27Å; F282-F286 AromaticContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE2 4.28Å; F282-F286 AromaticContact CD1-CG 3.93Å; F282-F286 HydrophobicContact CD1-CG 3.93Å; F282-F286 AromaticContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CE1-CD1 4.28Å; F282-F286 AromaticContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CZ 4.08Å; F282-F286 AromaticContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CE1 4.22Å; F282-F286 HydrophobicContact CG-CG 4.22Å; F282-M288 HydrophobicContact CE2-CE 4.46Å
283P90.3Very high81.6Confident85 Ų85116.3 Ų116.355%0.55262%0.622SS**PPolyproline II helixtrans-52.6148171.1-26.633.6000111.7K285 F286P283-K285 PolarHBondContact O-N 2.86Å; P283-F286 VanDerWaalsContact O-CB 3.3Å; P283-F286 WeakPolarHBondContact O-CB 3.44Å; P283-F286 PolarHBondContact O-N 2.96Å
284P88.9Confident82Confident143 Ų143114.9 Ų114.993%0.92961%0.608SS**THydrogen-bonded Turntrans-57.4-13-178.2-24.932.5000115.5
285K89.5Confident82.2Confident200 Ų200115.6 Ų115.687%0.8761%0.608SS**THydrogen-bonded Turntrans-120.221.3-178.9-57.8-178.3-178.2178.60112.3P283 D287P283-K285 PolarHBondContact O-N 2.86Å; K285-D287 PolarHBondContact O-N 2.93Å
286F90.3Very high82Confident69 Ų69117.8 Ų117.830%0.30361%0.606SS.*  trans-70.9108.6177.3-176.4-102.4000110.1F282 P283 M288 F291F282-F286 HydrophobicContact CB-CB 3.8Å; F282-F286 HydrophobicContact CB-CD1 3.96Å; F282-F286 HydrophobicContact CB-CG 3.94Å; F282-F286 AromaticContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD2 4.27Å; F282-F286 AromaticContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE2 4.28Å; F282-F286 AromaticContact CD1-CG 3.93Å; F282-F286 HydrophobicContact CD1-CG 3.93Å; F282-F286 AromaticContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CE1-CD1 4.28Å; F282-F286 AromaticContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CZ 4.08Å; F282-F286 AromaticContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CE1 4.22Å; F282-F286 HydrophobicContact CG-CG 4.22Å; P283-F286 VanDerWaalsContact O-CB 3.3Å; P283-F286 WeakPolarHBondContact O-CB 3.44Å; P283-F286 PolarHBondContact O-N 2.96Å; F286-M288 HydrophobicContact CD1-CB 4.23Å; F286-M288 HydrophobicContact CE1-CB 4.05Å; F286-M288 HydrophobicContact CE1-CG 4.12Å; F286-M288 PolarHBondContact O-N 2.71Å; F286-F291 HydrophobicContact CE1-CB 4.29Å; F286-F291 HydrophobicContact CE2-CB 4.15Å; F286-F291 HydrophobicContact CE2-CD2 4.16Å; F286-F291 HydrophobicContact CE2-CG 4.19Å; F286-F291 HydrophobicContact CZ-CB 3.58Å; F286-F291 HydrophobicContact CZ-CD1 4.05Å; F286-F291 AromaticContact CZ-CD2 4Å; F286-F291 HydrophobicContact CZ-CD2 4Å; F286-F291 AromaticContact CZ-CG 3.6Å; F286-F291 HydrophobicContact CZ-CG 3.6Å
287D90.6Very high82.1Confident71 Ų71119.6 Ų119.638%0.3860%0.601SS.*  trans-80.294.8173.9-176.1-11.9000108.7K285 D289 F290 F291 K294K285-D287 PolarHBondContact O-N 2.93Å; D287-D289 VanDerWaalsContact C-N 3.26Å; D287-D289 PolarHBondContact O-N 3.01Å; D287-D289 WeakPolarHBondContact OD1-CB 3.42Å; D287-D289 PolarHBondContact OD1-N 3.02Å; D287-D289 VanDerWaalsContact OD1-N 3.15Å; D287-F290 HydrophobicContact CB-CB 3.76Å; D287-F290 WeakPolarHBondContact O-CB 2.89Å; D287-F290 PolarHBondContact O-N 3.18Å; D287-F290 PolarHBondContact OD1-N 2.72Å; D287-F290 WeakPolarHBondContact OD2-CB 3.43Å; D287-F291 PolarHBondContact O-N 3.07Å; D287-K294 IonicContact OD2-NZ 4Å
288M87.2Confident81.3Confident101 Ų101120.5 Ų120.550%0.49860%0.597SS.*Hα-helixtrans-62.9-34.6-179.7-163.4-173.5-77.300111.3F282 F286 F290 F291 L292F282-M288 HydrophobicContact CE2-CE 4.46Å; F286-M288 HydrophobicContact CD1-CB 4.23Å; F286-M288 HydrophobicContact CE1-CB 4.05Å; F286-M288 HydrophobicContact CE1-CG 4.12Å; F286-M288 PolarHBondContact O-N 2.71Å; M288-F290 VanDerWaalsContact C-N 3.33Å; M288-F290 PolarHBondContact O-N 2.71Å; M288-F291 PolarHBondContact O-N 3.49Å; M288-L292 HydrophobicContact CG-CD1 3.89Å; M288-L292 HydrophobicContact CG-CG 4.34Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.44Å; M288-L292 WeakPolarHBondContact O-CG 3.12Å; M288-L292 PolarHBondContact O-N 3.35Å; M288-L292 HydrophobicContact SD-CD1 4.32Å
289D84.2Confident80.6Confident101 Ų101122.1 Ų122.154%0.5460%0.6SS.*Hα-helixtrans-67.5-35.7177.2-66.7-35.9000111.5D287 G293 K294D287-D289 VanDerWaalsContact C-N 3.26Å; D287-D289 PolarHBondContact O-N 3.01Å; D287-D289 WeakPolarHBondContact OD1-CB 3.42Å; D287-D289 PolarHBondContact OD1-N 3.02Å; D287-D289 VanDerWaalsContact OD1-N 3.15Å; D289-G293 CarbonylContact O-C 3.16Å; D289-G293 WeakPolarHBondContact O-CA 3.39Å; D289-G293 PolarHBondContact O-N 2.79Å; D289-K294 HydrophobicContact CB-CG 4.31Å; D289-K294 WeakPolarHBondContact O-CA 3.34Å; D289-K294 PolarHBondContact O-N 2.91Å
290F86.8Confident79.4Confident93 Ų93119.6 Ų119.641%0.40859%0.594SS.*Hα-helixtrans-66.6-46.2172.3179.6-96.4000111.8M125 L128 D287 M288 G293M125-F290 HydrophobicContact CE-CE1 4.48Å; M125-F290 HydrophobicContact CE-CZ 4.2Å; M125-F290 HydrophobicContact SD-CE1 4.41Å; M125-F290 HydrophobicContact SD-CZ 4.18Å; L128-F290 HydrophobicContact CD1-CZ 4.27Å; L128-F290 HydrophobicContact CD2-CZ 4.5Å; D287-F290 HydrophobicContact CB-CB 3.76Å; D287-F290 WeakPolarHBondContact O-CB 2.89Å; D287-F290 PolarHBondContact O-N 3.18Å; D287-F290 PolarHBondContact OD1-N 2.72Å; D287-F290 WeakPolarHBondContact OD2-CB 3.43Å; M288-F290 VanDerWaalsContact C-N 3.33Å; M288-F290 PolarHBondContact O-N 2.71Å; F290-G293 PolarHBondContact O-N 2.82Å
291F86Confident78.6Confident149 Ų149119.2 Ų119.265%0.65460%0.599SS**Hα-helixtrans-64.6-41.8-179.3-177.1-96.2000112.6F286 D287 M288 G293F286-F291 HydrophobicContact CE1-CB 4.29Å; F286-F291 HydrophobicContact CE2-CB 4.15Å; F286-F291 HydrophobicContact CE2-CD2 4.16Å; F286-F291 HydrophobicContact CE2-CG 4.19Å; F286-F291 HydrophobicContact CZ-CB 3.58Å; F286-F291 HydrophobicContact CZ-CD1 4.05Å; F286-F291 AromaticContact CZ-CD2 4Å; F286-F291 HydrophobicContact CZ-CD2 4Å; F286-F291 AromaticContact CZ-CG 3.6Å; F286-F291 HydrophobicContact CZ-CG 3.6Å; D287-F291 PolarHBondContact O-N 3.07Å; M288-F291 PolarHBondContact O-N 3.49Å; F291-G293 PolarHBondContact O-N 3.4Å
292L84Confident77.5Confident72 Ų72119.7 Ų119.738%0.37760%0.596SS.*SBendtrans-73.8-10.9174-67.8177.1000111.6M288 F297M288-L292 HydrophobicContact CG-CD1 3.89Å; M288-L292 HydrophobicContact CG-CG 4.34Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.44Å; M288-L292 WeakPolarHBondContact O-CG 3.12Å; M288-L292 PolarHBondContact O-N 3.35Å; M288-L292 HydrophobicContact SD-CD1 4.32Å; L292-F297 HydrophobicContact CB-CD2 3.87Å; L292-F297 HydrophobicContact CD2-CD2 4.15Å; L292-F297 HydrophobicContact CD2-CE2 4.44Å; L292-F297 WeakPolarHBondContact O-CD2 3.3Å; L292-F297 WeakPolarHBondContact O-CE2 3.47Å
293G82.5Confident75.7Confident25 Ų25120.7 Ų120.726%0.25861%0.611SS.*  trans74.2112-172.200000109.6D289 F290 F291 S295 R296D289-G293 CarbonylContact O-C 3.16Å; D289-G293 WeakPolarHBondContact O-CA 3.39Å; D289-G293 PolarHBondContact O-N 2.79Å; F290-G293 PolarHBondContact O-N 2.82Å; F291-G293 PolarHBondContact O-N 3.4Å; G293-S295 PolarHBondContact O-N 3.44Å; G293-R296 PolarHBondContact O-N 2.97Å
294K70.7Confident74Confident128 Ų128122.7 Ų122.756%0.55762%0.622SS**THydrogen-bonded Turntrans-49.7-14.4-169.7-68.2-175.3173.6-175.10116.2D287 D289 R298D287-K294 IonicContact OD2-NZ 4Å; D289-K294 HydrophobicContact CB-CG 4.31Å; D289-K294 WeakPolarHBondContact O-CA 3.34Å; D289-K294 PolarHBondContact O-N 2.91Å; K294-R298 PolarHBondContact O-NE 3.05Å
295S67.2Low72.1Confident103 Ų103122 Ų12272%0.7261%0.61SS**THydrogen-bonded Turntrans-129.2-6.9-177.251.80000115.1G293G293-S295 PolarHBondContact O-N 3.44Å
296R67Low70Confident212 Ų212118.8 Ų118.880%0.860%0.603SS**THydrogen-bonded Turntrans-90.8-28.4-170.8-65.6-163.3-164-168.26.1114.6G293G293-R296 PolarHBondContact O-N 2.97Å
297F66.1Low67.8Low153 Ų153124.6 Ų124.667%0.67163%0.631SS**SBendtrans-120.622.2-179.8-55.9-72.1000113.8L292 L299L292-F297 HydrophobicContact CB-CD2 3.87Å; L292-F297 HydrophobicContact CD2-CD2 4.15Å; L292-F297 HydrophobicContact CD2-CE2 4.44Å; L292-F297 WeakPolarHBondContact O-CD2 3.3Å; L292-F297 WeakPolarHBondContact O-CE2 3.47Å; F297-L299 PolarHBondContact O-N 2.85Å
298R62.8Low65.8Low192 Ų192130.5 Ų130.573%0.72566%0.656SS**  trans-68.9107.9168.4-74.6-165.3175.9-160.4-5.4108K294 S300K294-R298 PolarHBondContact O-NE 3.05Å; R298-S300 PolarHBondContact O-N 3.38Å
299L61.8Low63.6Low146 Ų146129.1 Ų129.176%0.76467%0.668SS**  trans-55.9108.5162.5-15879.3000105.3F297 D301F297-L299 PolarHBondContact O-N 2.85Å; L299-D301 PolarHBondContact O-N 3.08Å; L299-D301 VanDerWaalsContact O-N 3.09Å
300S60.9Low61.7Low81 Ų81128.5 Ų128.557%0.56668%0.677SS**  trans-59.6119.4-179.155.30000107.9R298 I302R298-S300 PolarHBondContact O-N 3.38Å; S300-I302 PolarHBondContact O-N 3.32Å
301D62.2Low60Low152 Ų152133.6 Ų133.681%0.81370%0.699SS**  trans-69.141.2169.9-69.9-37.5000110.9L299 T303L299-D301 PolarHBondContact O-N 3.08Å; L299-D301 VanDerWaalsContact O-N 3.09Å; D301-T303 PolarHBondContact O-N 3.21Å
302I61.4Low58.4Low126 Ų126137.1 Ų137.165%0.64671%0.708SS**  trans-70.391.6169.5-63.4168.1000105.1S300 V304S300-I302 PolarHBondContact O-N 3.32Å; I302-V304 HydrophobicContact CG2-CG2 3.74Å; I302-V304 PolarHBondContact O-N 3.17Å
303T50.4Low56.9Low132 Ų132145.4 Ų145.481%0.8173%0.734SS**  trans-5781159.240.60000108D301 N305D301-T303 PolarHBondContact O-N 3.21Å; T303-N305 VanDerWaalsContact C-N 3.28Å; T303-N305 PolarHBondContact O-N 3.34Å
304V54.2Low55.4Low128 Ų128153.6 Ų153.678%0.77676%0.763SS**  trans-67.399.5164.2-173.50000106.2I302 N306I302-V304 HydrophobicContact CG2-CG2 3.74Å; I302-V304 PolarHBondContact O-N 3.17Å; V304-N306 PolarHBondContact O-N 3.18Å
305N48.7Very low54.7Low128 Ų128154.5 Ų154.568%0.68477%0.773SS**  trans-56.4125.7173.2-148.62.4000108.9T303T303-N305 VanDerWaalsContact C-N 3.28Å; T303-N305 PolarHBondContact O-N 3.34Å
306N44.6Very low53.9Low133 Ų133158.7 Ų158.771%0.71178%0.779SS**SBendtrans56123.7156.6-59.9-27.2000119.7V304V304-N306 PolarHBondContact O-N 3.18Å
307Q45.7Very low52.9Low190 Ų190154.4 Ų154.489%0.88878%0.776SS**SBendtrans85.675.5168.5-50.6-164.414.400116.7
308E47.4Very low52Low196 Ų196155.2 Ų155.292%0.91679%0.787SS**  177.3102.5128.4-99.9173.9178.900107.7
309G42Very low51.4Low72 Ų72152.8 Ų152.874%0.74278%0.783SS**  trans-72.3158.7179.200000112.1
310A44.4Very low50.8Low88 Ų88154 Ų15473%0.72779%0.785SS**  trans100.328.2147.200000120.1
311F50.9Low50.3Low199 Ų199157.4 Ų157.487%0.87379%0.791SS**SBendtrans-141.3133.3157.9-59.7-77.6000111.1
312R52.4Low49.4Very low224 Ų224158.4 Ų158.485%0.84579%0.791SS**SBendtrans80.485.7-178.8-55.5179.3169.4-149.2-1.6116
313R52.6Low48.8Very low245 Ų245158.7 Ų158.793%0.92579%0.794SS**  trans17967.2143.7-100.5-179.7-79.5-179.2-4.7110.8
314K50.6Low48.7Very low198 Ų198159.3 Ų159.386%0.86179%0.792SS**  trans-150.761.5165.2-73.6-161.7179.4-178.70111
315L55.4Low48.3Very low146 Ų146162.8 Ų162.876%0.76480%0.797SS**SBendtrans-118.4114.4157.1-68.8172000104.5
316F51.5Low48.6Very low192 Ų192164.5 Ų164.584%0.84281%0.805SS**SBendtrans74.869.7174.1-35.7-70.6000117.7
317T44.3Very low49.1Very low121 Ų121164 Ų16474%0.74281%0.809SS**  trans-141.583.714545.60000109.9H319T317-H319 PolarHBondContact O-N 3.29Å; T317-H319 VanDerWaalsContact O-N 3.12Å
318L47.5Very low49.4Very low171 Ų171162.1 Ų162.190%0.89580%0.804SS**  trans-77.972.8154.4-167.783.1000106.5H320L318-H320 PolarHBondContact O-N 2.96Å
319H50.1Low49.6Very low141 Ų141159.9 Ų159.965%0.65380%0.798SS**  trans-8396.1171.2-137.5-71.7000107.2T317 Q321T317-H319 PolarHBondContact O-N 3.29Å; T317-H319 VanDerWaalsContact O-N 3.12Å; H319-Q321 VanDerWaalsContact C-N 3.33Å; H319-Q321 PolarHBondContact O-N 3.09Å; H319-Q321 VanDerWaalsContact O-N 3.07Å
320H50.1Low49.7Very low172 Ų172161.1 Ų161.180%0.79679%0.793SS**  trans-60.4101.3155.2-110.6-49.5000106.4L318L318-H320 PolarHBondContact O-N 2.96Å
321Q48.9Very low49.9Very low151 Ų151164.4 Ų164.471%0.70679%0.793SS**  trans-129.294.8160.9-134.4174.93.600106.6H319 D323H319-Q321 VanDerWaalsContact C-N 3.33Å; H319-Q321 PolarHBondContact O-N 3.09Å; H319-Q321 VanDerWaalsContact O-N 3.07Å; Q321-D323 PolarHBondContact O-N 3.12Å
322Q43.3Very low49.7Very low174 Ų174164.1 Ų164.181%0.81379%0.792SS**  trans-50.5126.4148.3-71.2169-53.400106.4
323D49.7Very low49.3Very low131 Ų131163.8 Ų163.870%0.70179%0.792SS**  trans-176.4106.1146.8-85-24.7000108.8Q321Q321-D323 PolarHBondContact O-N 3.12Å
324D48.2Very low49Very low146 Ų146158.7 Ų158.778%0.78178%0.783SS**  trans62.9121.7130.5-68.7-8.6000122.8
325K46.8Very low48.8Very low200 Ų200155.2 Ų155.287%0.8778%0.784SS**  trans100.582.7154.8-61.1-178.8-178.9-169.90117.5
326L53.5Low48.2Very low164 Ų164153.7 Ų153.786%0.85979%0.786SS**PPolyproline II helixtrans-86.5139.7144.1-72.2171.2000109.6
327P56.8Low48Very low122 Ų122153.7 Ų153.779%0.79279%0.785SS**PPolyproline II helixtrans-75.7136.3169.631.7-29.4000110
328I50.8Low48.1Very low151 Ų151153 Ų15377%0.77479%0.786SS**PPolyproline II helixtrans-59132.4179.9-66.7154.3000111.2P330I328-P330 HydrophobicContact CG2-CB 3.96Å; I328-P330 HydrophobicContact CG2-CG 3.99Å
329D51.6Low48.1Very low150 Ų150153.9 Ų153.980%0.80278%0.783SS**  trans-122.6116.5147.3-158.9-4.4000108.1
330P44.3Very low47.9Very low97 Ų97155.1 Ų155.163%0.6379%0.789SS**  trans-105.287.7-166.436.6-24.9000110.5I328I328-P330 HydrophobicContact CG2-CB 3.96Å; I328-P330 HydrophobicContact CG2-CG 3.99Å
331Q48.8Very low47.7Very low158 Ų158150 Ų15074%0.73878%0.782SS**  trans-139.9131.8159.9-67-163.95.300111
332F46.5Very low47.5Very low193 Ų193149 Ų14985%0.84679%0.786SS**  trans87.365.9173.4-52-73.2000117.4
333Y43.7Very low47.6Very low216 Ų216146.8 Ų146.885%0.84779%0.785SS**  trans-77.7144.2153.1-122.3-102.9000110.5
334N45.9Very low47.2Very low138 Ų138145.5 Ų145.574%0.73879%0.786SS**  trans88.195.1158.4-58.3-38.7000120
335S46.2Very low47Very low125 Ų125144.6 Ų144.687%0.87478%0.782SS**  -169.9110.5104.2-90.20000112.2
336S44.1Very low46.9Very low115 Ų115145.2 Ų145.280%0.80478%0.778SS**  trans-74.9137.3163.5-56.70000110.5
337K46.9Very low46.8Very low191 Ų191150 Ų15083%0.8379%0.785SS**  148.9120.4121.8-85.8-179.8177.1178.40112.2
338S45.2Very low46.4Very low108 Ų108149 Ų14976%0.75578%0.781SS**  trans41.6124.5138.963.80000119.2
339F47.9Very low46Very low188 Ų188150 Ų15083%0.82579%0.785SS**  -173.2147118.5-163.7-117000111
340E46Very low45.9Very low168 Ų168153.9 Ų153.979%0.78579%0.788SS**  trans-63.5156.9178.7-68.6165130.900113.5
341G46.7Very low46.3Very low64 Ų64156.4 Ų156.466%0.6680%0.796SS**  trans15490.2158.300000117.1
342T45.5Very low46.6Very low129 Ų129156.4 Ų156.479%0.79180%0.798SS**  trans46.7136.6130.716.60000123.9
343T45.5Very low46.7Very low129 Ų129155.7 Ų155.779%0.79180%0.798SS**  trans73110.9147.350.80000118.5
344S39.8Very low46.9Very low103 Ų103151 Ų15172%0.7279%0.792SS**  71.9104.692.7-163.20000112.2
345D44.8Very low46.9Very low127 Ų127148.2 Ų148.268%0.67979%0.788SS**  172.5133.9120.1-95.78.2000113.9
346R43.6Very low47.2Very low213 Ų213150.7 Ų150.780%0.80479%0.79SS**  69.5102.4123.3-159.9178.5-162.5-178.63.3118.5
347W52.2Low47.4Very low264 Ų264153 Ų153100%179%0.793SS**  trans-112.3107.5154.4-74.854.9000108.2
348S47.6Very low47.6Very low101 Ų101149 Ų14971%0.70679%0.786SS**  trans-92.1132.3178.8-177.70000109.6
349M42.3Very low48.2Very low173 Ų173153.3 Ų153.385%0.85279%0.794SS**  trans-71.9133.7161.1-74.4-169.5-71.100109.9
350R50.7Low48.1Very low231 Ų231150.2 Ų150.287%0.87279%0.791SS**  trans174.1163.1139.2-98.2179.2-146.1-157.76.9109.9
351D53.3Low48.5Very low150 Ų150150.2 Ų150.280%0.80280%0.796SS**  trans110.6119.3173.6-58-9.1000110.9
352M53Low48.7Very low159 Ų159156.5 Ų156.578%0.78381%0.806SS**  cis-161.9131.17.7-91.2166.467.900105.9
353E50.2Low48.9Very low178 Ų178154.3 Ų154.383%0.83280%0.801SS**  41.2127.388.2-96.9-179.8170.600114.2
354T47.7Very low49.3Very low118 Ų118155 Ų15572%0.72481%0.805SS**  -177.7137.764.5-45.70000112.8
355A45.7Very low49.4Very low79 Ų79153.3 Ų153.365%0.65380%0.804SS**  trans50.4133.1143.300000124.6
356L52.6Low49.7Very low177 Ų177159.3 Ų159.393%0.92782%0.817SS**  -173.4141.685.6-86.2166.2000112.2
357L47.3Very low50Low163 Ų163156.8 Ų156.885%0.85382%0.818SS**  trans-100.7-164.5-173.6-92.8163.6000111
358P52.9Low49.8Very low108 Ų108149.4 Ų149.470%0.70180%0.804SS**  -126.6-176.5-98.437-14.2000112.3
359E55.9Low49.7Very low197 Ų197149.4 Ų149.492%0.92180%0.804SS**  trans-159.4136.9144.1-118.4176.8-166.100112.3
360T45.9Very low49.9Very low124 Ų124150.8 Ų150.876%0.76181%0.805SS**  trans-86.6143.9-179.143.80000111.2
361D55.2Low49.6Very low167 Ų167144.6 Ų144.689%0.89380%0.803SS**  trans-150.7147.8145.6-109.1-26000114.9
362K50.7Low49.3Very low196 Ų196142.7 Ų142.785%0.85280%0.802SS**  trans-84.8154.6-163.1-65170.6174.4172.90113.3
363A49.4Very low48.8Very low83 Ų83141.8 Ų141.869%0.68681%0.805SS**  140.7127.111300000114.8
364T53.3Low48.5Very low144 Ų144140.2 Ų140.288%0.88380%0.802SS**  trans51.6127.9141.452.70000119.1
365G43.6Very low48.3Very low68 Ų68139.1 Ų139.170%0.70180%0.799SS**  cis153.6161.517.300000108.3
366R49.6Very low48.3Very low253 Ų253144.6 Ų144.696%0.95581%0.808SS**  trans90101.6172.1-61.3-171.2179.5-161.70.4119.3
367I49.8Very low48.2Very low160 Ų160143.1 Ų143.182%0.82180%0.801SS**  trans-86.3145.2145.2-67.6170.2000105.1
368P49Very low48.1Very low108 Ų108141.3 Ų141.370%0.70180%0.8SS**  -155.615176.542.2-19.4000120.4
369S45.1Very low47.5Very low101 Ų101143 Ų14371%0.70680%0.803SS**  trans34.5121.5140.366.40000119.5
370K47Very low46.9Very low203 Ų203138.8 Ų138.888%0.88380%0.796SS**  trans-158.6126.4132.1-109.3167.4-172.9-177.40110.6
371A44.3Very low47.1Very low100 Ų100140.7 Ų140.783%0.82680%0.799SS**  trans-68139.1172.200000110.4
372S48Very low46.8Very low111 Ų111141 Ų14178%0.77680%0.795SS**  trans-132.2101.7167.5-51.10000107.9L374S372-L374 PolarHBondContact O-N 3.36Å
373T42.5Very low46.4Very low140 Ų140137.8 Ų137.886%0.85980%0.797SS**  trans-56.3122.7167.4-46.20000109.5
374L42.6Very low46.1Very low144 Ų144137.2 Ų137.275%0.75480%0.8SS**  trans-106.9103.3167.1-100163.9000108.6S372S372-L374 PolarHBondContact O-N 3.36Å
375S44.4Very low45.8Very low95 Ų95135.2 Ų135.266%0.66480%0.798SS**  trans-69.3118.5163.849.60000109.4
376F46Very low46.2Very low194 Ų194140 Ų14085%0.85181%0.806SS**  trans-87.4106163.5-79.1-84.4000108.4
377L49.5Very low46.1Very low147 Ų147134.1 Ų134.177%0.7779%0.794SS**  trans-76.8134169.1-137.889.1000108.5D379L377-D379 PolarHBondContact O-N 3.16Å
378C44.7Very low45.9Very low124 Ų124134.9 Ų134.984%0.83880%0.799SS**  trans-68.9115.7168.8-81.70000110.3
379D40.8Very low45.5Very low143 Ų143133.5 Ų133.577%0.76579%0.792SS**  trans-89.8118.7162.4-81.1-24.4000110.2L377 I381L377-D379 PolarHBondContact O-N 3.16Å; D379-I381 PolarHBondContact O-N 3.39Å
380S44.3Very low45.4Very low109 Ų109134.3 Ų134.376%0.76280%0.797SS**  trans-64.5113.2168.6-73.90000110
381I49.3Very low45.3Very low164 Ų164134 Ų13484%0.84180%0.801SS**  trans-84.6120.9168.6-54.7178.2000108.3D379D379-I381 PolarHBondContact O-N 3.39Å
382H48.6Very low45.2Very low174 Ų174136.3 Ų136.381%0.80680%0.795SS**  trans-55.4137.8-179.8-77.115.5000113.6G384H382-G384 PolarHBondContact O-N 3.12Å; H382-G384 VanDerWaalsContact O-N 3.16Å
383S43.2Very low44.9Very low128 Ų128141 Ų14190%0.89580%0.796SS**  trans-62.1104.4163-430000109.9
384G43.2Very low45.2Very low72 Ų72142.6 Ų142.674%0.74280%0.798SS**  trans-87.4105.8167.100000109.9H382 L386H382-G384 PolarHBondContact O-N 3.12Å; H382-G384 VanDerWaalsContact O-N 3.16Å; G384-L386 PolarHBondContact O-N 2.77Å
385A45.3Very low45.1Very low101 Ų101143.3 Ų143.384%0.83580%0.803SS**  trans-64.4125.3170.200000110.3
386L53.5Low45.2Very low168 Ų168146.5 Ų146.588%0.8881%0.812SS**  trans-95.6108.6164.5-74.5174.6000108.6G384 L388G384-L386 PolarHBondContact O-N 2.77Å; L386-L388 PolarHBondContact O-N 2.81Å
387D46.3Very low44.9Very low131 Ų131147.4 Ų147.470%0.70181%0.81SS**  trans-67.3112.3169.2-177.86.9000109.4S389D387-S389 WeakPolarHBondContact OD1-CB 3.37Å; D387-S389 PolarHBondContact OD1-N 2.92Å; D387-S389 VanDerWaalsContact OD1-N 3.11Å; D387-S389 PolarHBondContact OD1-OG 2.81Å; D387-S389 PolarHBondContact OD2-OG 3.49Å
388L45.5Very low45Very low176 Ų176147.9 Ų147.992%0.92181%0.813SS**  trans-108.765.4167.6-74.3171.8000108.7L386L386-L388 PolarHBondContact O-N 2.81Å
389S40.7Very low44.9Very low79 Ų79148.7 Ų148.755%0.55281%0.81SS**  trans-107112.9161.662.10000108.9D387D387-S389 WeakPolarHBondContact OD1-CB 3.37Å; D387-S389 PolarHBondContact OD1-N 2.92Å; D387-S389 VanDerWaalsContact OD1-N 3.11Å; D387-S389 PolarHBondContact OD1-OG 2.81Å; D387-S389 PolarHBondContact OD2-OG 3.49Å
390S44.3Very low45.3Very low118 Ų118148.7 Ų148.783%0.82581%0.809SS**  trans147.776.3152.9-680000112
391M44.7Very low45.6Very low196 Ų196149.7 Ų149.797%0.96681%0.806SS**  trans-146.995.5143.8-108.1-151.361.900109.1
392Q42.6Very low45.5Very low148 Ų148148.1 Ų148.169%0.69280%0.799SS**  trans-109.1125.5-175-166.41732600108.7
393R40.1Very low45.7Very low209 Ų209146.9 Ų146.979%0.78980%0.798SS**  trans62.7123151.1-67.7170.8-173.8168.6-0.5118.2
394L50.4Low45.9Very low174 Ų174145 Ų14591%0.91179%0.79SS**  -158.3101.2113.9-96.2164.6000109.1
395N39.7Very low46.8Very low160 Ų160149.9 Ų149.986%0.85680%0.796SS**  trans-77.4134159-103-19000107.5
396N46Very low46.9Very low162 Ų162151.2 Ų151.287%0.86679%0.789SS**  trans-156.3140.8142.4-128.3-11.5000114.5
397R39.9Very low47Very low212 Ų212148.8 Ų148.880%0.878%0.781SS**  trans-66.3158.9-179.5-76165.6140.8141.9-7.4113.4
398N51.6Low46.9Very low157 Ų157147 Ų14784%0.8478%0.779SS**  trans174.9101.3131.4-79.2-20.6000107.6
399N43.8Very low47.4Very low142 Ų142150 Ų15076%0.75978%0.78SS**  58.2126.481.4-96.75.8000117.6
400L49.1Very low47.6Very low142 Ų142153.7 Ų153.774%0.74379%0.793SS**  trans98.7131.9140.5-83.4148000121.9
401N50.7Low48Very low131 Ų131154.4 Ų154.470%0.70179%0.793SS**  trans87.2145.1153.7-58.4-8.2000118.3
402D47.4Very low48.5Very low131 Ų131153 Ų15370%0.70178%0.783SS**  cis178.8168-28-115.7-22.7000105.1
403D51.3Low48.6Very low148 Ų148154.4 Ų154.479%0.79179%0.792SS**  trans78.9115.2162-54.8-30.6000118.3
404A48.4Very low49.4Very low87 Ų87151.9 Ų151.972%0.71979%0.789SS**  cis106.3155.741.900000111.9
405M60.6Low49.5Very low175 Ų175149.3 Ų149.386%0.86278%0.776SS**  trans102.6136.9173.9-52.4-64.7-95.600116.1
406D48.6Very low49.9Very low130 Ų130147.6 Ų147.670%0.69577%0.772SS**  cis-175.9172.8-31.6-159.2-4.5000106
407T55.3Low50.1Low117 Ų117144.8 Ų144.872%0.71876%0.762SS**  trans89.9101.1166.173.60000116.2
408S45.5Very low50.5Low94 Ų94140.7 Ų140.766%0.65776%0.761SS**  79.4113.454.781.20000114.6
409Y55.3Low50.2Low238 Ų238139.7 Ų139.793%0.93376%0.755SS**  trans-159.3120.4137.6-105.9-77.7000110.4
410N43.8Very low50.4Low157 Ų157140 Ų14084%0.8475%0.752SS**  trans-78.7162.6171.3-89.4-39.6000111.2
411V53.1Low50.3Low133 Ų133139.6 Ų139.681%0.80675%0.751SS**  179.9126.4118.6156.50000111.9
412H56.2Low50.2Low166 Ų166141.1 Ų141.177%0.76976%0.759SS**  trans64.9119.5152.7-105.3-61.7000125.2
413M44.3Very low50.3Low177 Ų177140.9 Ų140.987%0.87276%0.762SS**  trans-108.7147.8154.3-85.1-96.3-164.900109.8
414E56.8Low50.4Low157 Ų157137.5 Ų137.573%0.73476%0.762SS**  trans-167146.9148.5-87.7-160.7128.400105.4
415N53Low50.3Low120 Ų120144.6 Ų144.664%0.64277%0.77SS**  cis-169.1128.4-12-99.5-19.3000106.3
416T47.6Very low49.6Very low124 Ų124142.8 Ų142.876%0.76177%0.773SS**  trans58.6163.91337.70000122.1
417P50.5Low49.3Very low103 Ų103140.8 Ų140.867%0.66978%0.775SS**  -139.8-157.6-11834.6-7.4000115.8
418V47.6Very low48.7Very low126 Ų126145.5 Ų145.576%0.76479%0.786SS**  trans85.6132.1163.8-161.70000113.4
419N45.6Very low48.7Very low135 Ų135146.9 Ų146.972%0.72279%0.794SS**  cis-161.1168.543.1-153.3-2.1000113.8
420E47.1Very low48.1Very low148 Ų148139.1 Ų139.169%0.69279%0.786SS**  trans-63.4171.1-176.9-57.4171137.300119.2
421N46.9Very low48.3Very low134 Ų134139.6 Ų139.672%0.71779%0.789SS**  trans85.7110.3150.8-56-38.7000117.9
422D50Low48Very low163 Ų163137 Ų13787%0.87279%0.789SS**  -164.2151.2100.6-141.9-12.9000113.6
423V49Very low48Very low127 Ų127134.7 Ų134.777%0.7779%0.792SS**  trans-88.9141.8-170.1168.60000110.8
424G52.6Low48.5Very low77 Ų77134.8 Ų134.879%0.79479%0.79SS**  trans-160.383.9174.100000114.2
425R45.8Very low48.2Very low235 Ų235134.3 Ų134.389%0.88779%0.791SS**  trans-54.5141.7169.4-76175.3169.7-169.1-3112.3
426C46.9Very low48.4Very low137 Ų137134.6 Ų134.693%0.92680%0.797SS**  trans-155.1121.7136.9-104.30000110.3
427A41.7Very low48.6Very low88 Ų88136.4 Ų136.473%0.72780%0.801SS**  trans-88.7143.4176.600000110.2
428F43.3Very low49.4Very low217 Ų217136.9 Ų136.995%0.95280%0.798SS**  trans-140.8121.5156-120.1-88.6000109.2
429C44.4Very low50.3Low123 Ų123136.7 Ų136.783%0.83180%0.802SS**  trans-80.3151.8178.5-660000111
430G43.4Very low51Low75 Ų75136 Ų13677%0.77380%0.799SS**  trans-172.868.9174.200000113.8
431N48.5Very low51.1Low166 Ų166132.9 Ų132.989%0.88881%0.805SS**  trans21101.5155.5-58.2-7.1000119
432G46.3Very low51.3Low79 Ų79137.2 Ų137.281%0.81481%0.812SS**  trans-102.2118.4153.700000109.8E434G432-E434 PolarHBondContact O-N 3.45Å
433S57.1Low51.3Low117 Ų117136.1 Ų136.182%0.81881%0.811SS**  trans-82.8104.3166.453.10000108.7
434E53.8Low51.5Low179 Ų179136.6 Ų136.684%0.83681%0.809SS**  trans-87.2119.9172-163.9172.4-163.500108.5G432G432-E434 PolarHBondContact O-N 3.45Å
435I50.5Low51Low147 Ų147138.6 Ų138.675%0.75481%0.811SS**  trans-90.1105.8173-55.4174.5000106.5
436V58.2Low51.2Low126 Ų126132.5 Ų132.576%0.76480%0.804SS**PPolyproline II helixtrans-77.3120.1170.41760000108.3
437L50.8Low50.9Low162 Ų162132.4 Ų132.485%0.84880%0.799SS**PPolyproline II helixtrans-82.4123.5171-72.8168000109.9
438D67Low51.1Low114 Ų114136.2 Ų136.261%0.6181%0.807SS**PPolyproline II helixtrans-72.7140.3163.8160.2-6.1000109.8N440D438-N440 PolarHBondContact O-N 3.43Å; D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.35Å; D438-N440 VanDerWaalsContact OD1-CG 3.24Å; D438-N440 PolarHBondContact OD1-N 3.48Å; D438-N440 PolarHBondContact OD1-ND2 2.73Å
439S66.7Low51Low121 Ų121129.4 Ų129.485%0.84679%0.791SS**THydrogen-bonded Turntrans-596.317543.30000117.8
440N60.3Low51.2Low122 Ų122131 Ų13165%0.65279%0.791SS**THydrogen-bonded Turntrans-111.77.5-171.1-66-40.8000117.4D438 R442D438-N440 PolarHBondContact O-N 3.43Å; D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.35Å; D438-N440 VanDerWaalsContact OD1-CG 3.24Å; D438-N440 PolarHBondContact OD1-N 3.48Å; D438-N440 PolarHBondContact OD1-ND2 2.73Å; N440-R442 PolarHBondContact O-N 3.11Å
441G49.1Very low51.1Low81 Ų81131.7 Ų131.784%0.83579%0.79SS**  trans53.432.8156.300000118.8
442R51.3Low51Low225 Ų225129.1 Ų129.185%0.84979%0.791SS**  trans-127.3117.6173.8-100.3-175170.1-174-2.6112.3N440N440-R442 PolarHBondContact O-N 3.11Å
443V51.2Low50.8Low140 Ų140128.9 Ų128.985%0.84879%0.789SS**  trans-88.3111.6170.4-171.40000108.3
444N52.6Low50.4Low138 Ų138132.4 Ų132.474%0.73879%0.792SS**  trans-92.7122.5169.9-68-22.9000109
445S41.7Very low50.6Low119 Ų119133.6 Ų133.683%0.83280%0.795SS**  trans-89.2118.5169.3-41.80000109.3
446S50.6Low50.7Low106 Ų106138.4 Ų138.474%0.74180%0.804SS**  trans-160.298.8159.557.10000111.4
447T39.6Very low51.1Low135 Ų135138.1 Ų138.183%0.82880%0.804SS**  trans18.8129135.3-43.40000119.3
448L46.9Very low50.9Low168 Ų168137.6 Ų137.688%0.8880%0.803SS**  trans-140.3124.3141.6-136.2139.6000109.7
449A40.8Very low49.9Very low75 Ų75137.4 Ų137.462%0.6281%0.81SS**  trans-84.2146.6-178.300000111.6
450N48.1Very low49Very low155 Ų155140.7 Ų140.783%0.82982%0.817SS**  trans-173.1103.7151.6-88-26.8000106.2
451A42.6Very low48.3Very low91 Ų91139.8 Ų139.875%0.75282%0.82SS**  86.2128.881.300000113.5
452A46.3Very low48.1Very low111 Ų111140.1 Ų140.192%0.91782%0.815SS**  trans70.9125.2176.200000115.7
453G40.6Very low48Very low75 Ų75135.5 Ų135.577%0.77381%0.812SS**  cis119.377.422.900000109.1
454Q50.4Low47.9Very low190 Ų190136.1 Ų136.189%0.88881%0.81SS**  trans-139.1108.4166.9-87.8-171.4-19.100110.7
455K56.5Low47.6Very low205 Ų205138.2 Ų138.289%0.89182%0.816SS**PPolyproline II helixtrans-69.7139163.3-79.2178.9169.9-1760109.1
456W53.5Low48.3Very low248 Ų248137.7 Ų137.794%0.93981%0.812SS**PPolyproline II helixtrans-86.2126.6158.8-72.773.7000108.3
457P66.9Low48.3Very low119 Ų119141.5 Ų141.577%0.77382%0.818SS**PPolyproline II helixtrans-93.8129.3165.432.2-25.4000110.5
458D45.6Very low49.1Very low152 Ų152139 Ų13981%0.81382%0.819SS**PPolyproline II helixtrans-62.6161155-67.8-50000110.5
459S46.9Very low49.1Very low109 Ų109136.8 Ų136.876%0.76281%0.812SS**  trans96.8103.2163.7-36.40000116.1
460L47.8Very low49.8Very low190 Ų190141.5 Ų141.5100%0.99583%0.826SS**  trans-130.797.1142.6-79.9176.7000108.4
461S44.3Very low49.5Very low103 Ų103140.2 Ų140.272%0.7282%0.824SS**  trans-112130.2158.3550000108.1
462A45.4Very low50Low89 Ų89140.5 Ų140.574%0.73683%0.826SS**  trans75.7138.7147.900000120.2
463V49.2Very low50.2Low128 Ų128142.1 Ų142.178%0.77682%0.82SS**  trans79.5104.4155.9-160.80000116.3
464D48.9Very low50.8Low152 Ų152146 Ų14681%0.81382%0.823SS**  -151.4114.5122.2-142.9-0.5000111.1
465E46.8Very low50.9Low182 Ų182145.5 Ų145.585%0.8582%0.82SS**  trans-85.8123.2162.8-82.4177.5135.500107.1
466S57.1Low51Low108 Ų108141.5 Ų141.576%0.75581%0.809SS**  trans-134.5126.6161.765.10000112.4
467H50.4Low51.3Low187 Ų187138.3 Ų138.387%0.86680%0.801SS**  trans-28.1131.3176.2-64.8-88000118.4
468G55.8Low50.6Low82 Ų82135.9 Ų135.985%0.84580%0.798SS**  trans-139.995.5159.900000110.3
469T46.9Very low51Low122 Ų122137.8 Ų137.875%0.74880%0.802SS**  trans-75.6117.1-179.5-44.70000111
470L55.3Low51.4Low173 Ų173137.5 Ų137.591%0.90680%0.797SS**  trans-140.5122.9157.8-81.4175.9000110.6
471T41.9Very low51.4Low128 Ų128140.4 Ų140.479%0.78580%0.795SS**  trans-76.7131.7176.842.50000112.3
472A52.7Low51.7Low97 Ų97139.2 Ų139.280%0.80280%0.8SS**  trans-172.6142.4140.300000111
473N51Low51.8Low145 Ų145140.8 Ų140.878%0.77581%0.805SS**  trans-75.6148-166.9-48.6-38.8000113.1
474N52.8Low52.1Low157 Ų157146.1 Ų146.184%0.8481%0.811SS**  171.3155.2117.2-84-24000112.2
475E52.8Low52Low179 Ų179144.4 Ų144.484%0.83681%0.811SS**  trans-75.3163.4-158.9-59.3165.9137.100115.3
476D58.5Low52.7Low122 Ų122144 Ų14465%0.65281%0.814SS**  121.1117.2125.3-142.226.9000117.7
477K59.6Low52.6Low180 Ų180145.9 Ų145.978%0.78382%0.815SS**  trans43.6137.3158.7-33.8-160.2171.376.40119.3
478G52Low52.5Low68 Ų68142.5 Ų142.570%0.70181%0.813SS**  cis155142.912.500000109.2
479H53.7Low52.2Low193 Ų193142.2 Ų142.289%0.89481%0.81SS**  trans83150.2157.1-76.4-43.2000123.2
480P55.6Low52.3Low103 Ų103144.5 Ų144.567%0.66982%0.816SS**  trans-126.7171.1-137.940.1-22.1000115.9
481R48.9Very low52.4Low250 Ų250141 Ų14194%0.94381%0.811SS**  trans44121.2146.3-80.1-176166.9-146.4-2.8120
482G51.3Low52.9Low79 Ų79140.3 Ų140.381%0.81481%0.812SS**  trans-165.476.4157.400000112.6
483S45.8Very low53.1Low121 Ų121145.7 Ų145.785%0.84681%0.812SS**  trans-86.5124.2166.1-48.20000109
484R55.4Low53.4Low241 Ų241146.1 Ų146.191%0.90981%0.814SS**  trans-137.6109.2162.6-79.8-170.8172.3-173-2.3109.5
485S48.5Very low53.9Low116 Ų116145.8 Ų145.881%0.81181%0.809SS**  trans-71.7134.9157.952.80000109.1
486L61.1Low54Low173 Ų173143.4 Ų143.491%0.90681%0.807SS**  trans-118111.5163.2-73.7174.4000107.6
487D55.6Low54.2Low147 Ų147142.9 Ų142.979%0.78681%0.813SS**  trans-109.4160.4167.1-171.113.4000107.5
488S46.9Very low54.3Low116 Ų116141.7 Ų141.781%0.81181%0.81SS**  trans84127172.175.20000118.8
489G49.5Very low54.9Low77 Ų77145.9 Ų145.979%0.79482%0.816SS**  trans16649168.400000115.2
490I48.7Very low55.3Low170 Ų170143 Ų14387%0.87281%0.808SS**  trans-77.1119.4165.5-60.5170.9000107.4
491A57.3Low55.8Low98 Ų98145.8 Ų145.881%0.8182%0.817SS**  trans-131.5101167.800000109.3
492S52.2Low56.3Low115 Ų115146.3 Ų146.380%0.80483%0.833SS**  trans-69.7125.9165.7-60.20000109.3
493R57.6Low56.6Low209 Ų209149.7 Ų149.779%0.78983%0.834SS**  trans-117.8103.7173.6-160.5176.6-175.5178.40.6108.8M495R493-M495 HydrophobicContact CG-CG 4.22Å
494N58.3Low57.1Low154 Ų154151.2 Ų151.282%0.82483%0.834SS**  trans-80.2129.2160.7-76-14.2000108
495M62.1Low57.2Low150 Ų150146.2 Ų146.274%0.73983%0.829SS**  trans-129.9103.6165.7-71-99.9106.200107.1R493R493-M495 HydrophobicContact CG-CG 4.22Å
496T55.5Low57.7Low130 Ų130148 Ų14880%0.79883%0.83SS**  trans-86.8133.2159.745.80000108.3
497S63.3Low57.5Low111 Ų111146.4 Ų146.478%0.77683%0.826SS**  trans161.8136.7131.558.80000111.8
498H60.3Low57.7Low155 Ų155146.4 Ų146.472%0.71883%0.828SS**  trans58.8121143.3-91.1-11000119.7
499D65.2Low58.4Low156 Ų156148.6 Ų148.683%0.83483%0.83SS**  -163.4136.886.3-91-34.8000110.5
500D62.9Low59.1Low133 Ų133154.1 Ų154.171%0.71183%0.832SS**  trans-71.2142.7164.6-72.5-59.4000109.5
501D65Low60Low161 Ų161152.8 Ų152.886%0.86183%0.829SS**  trans-173.9123.7139.2-101.8-24000111
502M60.3Low60.2Low261 Ų261157.7 Ų157.7100%1.28683%0.831SS**  trans72.60162.1-66-85-153.300120.6

Retrieved 502 of 502 residues in 1552.8 ms (Link to these results)