A0A087XAV5_POEFO Loading...

Ribosome biogenesis protein NOP53

May play a role in ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A087XAV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 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
1M43Very low41.2Very low250 Ų250185.9 Ų185.9100%1.23291%0.911SS**  080.80-73.7-72.1-151.600109.3
2A38.7Very low41Very low100 Ų100178.4 Ų178.483%0.82689%0.891SS**PPolyproline II helixtrans-98.4118.9-179.800000109.3R4A2-R4 PolarHBondContact O-N 3Å
3A43.4Very low41.2Very low101 Ų101173.5 Ų173.584%0.83589%0.885SS**PPolyproline II helixtrans-68.4127.9-176.500000111.4R5A3-R5 PolarHBondContact O-N 3.01Å
4R44.3Very low41.5Very low244 Ų244173.5 Ų173.592%0.92188%0.879SS**PPolyproline II helixtrans-64.1118.6-179.4-69.5175.6172-177.2-3.8110.7A2 R6A2-R4 PolarHBondContact O-N 3Å; R4-R6 PolarHBondContact O-N 3.42Å
5R44.8Very low41.8Very low249 Ų249171 Ų17194%0.9488%0.879SS**PPolyproline II helixtrans-65.2116.2165.4-72.5177.8174.2171.3-2.3109.2A3A3-R5 PolarHBondContact O-N 3.01Å
6R43.2Very low42.6Very low245 Ų245165.1 Ų165.193%0.92587%0.873SS**PPolyproline II helixtrans-94.9121.5165-81.1-173.8172.9-173.6-1.1109.3R4R4-R6 PolarHBondContact O-N 3.42Å
7L38.6Very low42.7Very low169 Ų169166.6 Ų166.689%0.88587%0.871SS**PPolyproline II helixtrans-68.5120.3174.7-70.1155.6000110.1R9L7-R9 PolarHBondContact O-N 3.35Å
8K40.6Very low43.1Very low206 Ų206164.8 Ų164.890%0.89686%0.862SS**  trans-77.9114.6161.9-90.5-177.7174.71800107.9V10K8-V10 PolarHBondContact O-N 3.49Å
9R38.8Very low43.1Very low246 Ų246162.1 Ų162.193%0.92886%0.858SS**  trans-68117169.5-66.8-179.8-177.8179.3-0.5108.1L7L7-R9 PolarHBondContact O-N 3.35Å
10V37.7Very low43.4Very low138 Ų138162.4 Ų162.484%0.83685%0.852SS**  trans-82.3114.1163.8175.10000106K8 S12K8-V10 PolarHBondContact O-N 3.49Å; V10-S12 PolarHBondContact O-N 3.14Å
11A39.7Very low43.5Very low97 Ų97164.1 Ų164.180%0.80285%0.853SS**  trans-73.6115.9169.300000108.1S13A11-S13 PolarHBondContact O-N 3.37Å
12S39.6Very low43.4Very low96 Ų96155.9 Ų155.967%0.67182%0.82SS**  trans-71114.7168.854.30000108.8V10 Q14V10-S12 PolarHBondContact O-N 3.14Å; S12-Q14 PolarHBondContact O-N 2.86Å
13S43.1Very low43.9Very low115 Ų115157.1 Ų157.180%0.80482%0.819SS**  trans-63.8115.3171.354.20000109.7A11A11-S13 PolarHBondContact O-N 3.37Å
14Q45.1Very low44Very low173 Ų173156.7 Ų156.781%0.80881%0.811SS**  trans-73.7124.8171.3-72.3-96.4-3700109.1S12 G16S12-Q14 PolarHBondContact O-N 2.86Å; Q14-G16 PolarHBondContact O-N 3.21Å
15P47.2Very low43.8Very low136 Ų136151.6 Ų151.688%0.88380%0.802SS**SBendtrans-8891.7-178.633.7-29.6000109.3
16G54Low44Very low76 Ų76145.3 Ų145.378%0.78479%0.791SS**  trans-167.715.8179.500000114.1Q14Q14-G16 PolarHBondContact O-N 3.21Å
17F44.3Very low44Very low191 Ų191140.5 Ų140.584%0.83879%0.789SS**SBendtrans-121.7123.1175-148.2-97.7000107.4S19F17-S19 PolarHBondContact O-N 3.4Å
18L49.9Very low44.2Very low134 Ų134137.3 Ų137.370%0.70279%0.787SS**  trans-47.4113.2173.8-70.3165.1000108.4F20L18-F20 HydrophobicContact CB-CD2 4.1Å; L18-F20 HydrophobicContact CB-CE2 3.82Å; L18-F20 HydrophobicContact CB-CZ 4.45Å; L18-F20 HydrophobicContact CD1-CE2 4.09Å; L18-F20 HydrophobicContact CD1-CZ 4.24Å; L18-F20 PolarHBondContact O-N 3.11Å
19S43Very low44.3Very low114 Ų114131.8 Ų131.880%0.79778%0.775SS**  trans-71.480.9173.654.70000108.4F17 K21F17-S19 PolarHBondContact O-N 3.4Å; S19-K21 PolarHBondContact O-N 2.86Å
20F48.9Very low44.4Very low168 Ų168126.7 Ų126.774%0.73777%0.77SS**  trans-63109.8161.6-72-75.9000106.7L18 S22L18-F20 HydrophobicContact CB-CD2 4.1Å; L18-F20 HydrophobicContact CB-CE2 3.82Å; L18-F20 HydrophobicContact CB-CZ 4.45Å; L18-F20 HydrophobicContact CD1-CE2 4.09Å; L18-F20 HydrophobicContact CD1-CZ 4.24Å; L18-F20 PolarHBondContact O-N 3.11Å; F20-S22 PolarHBondContact O-N 2.89Å
21K46.2Very low44.9Very low198 Ų198123.2 Ų123.286%0.86176%0.763SS**  trans-53.1105.7178.7-76175.8176.5171.40109.7S19S19-K21 PolarHBondContact O-N 2.86Å
22S41.2Very low45.5Very low78 Ų78122.7 Ų122.755%0.54575%0.753SS.*  trans-68136.5165.846.30000109.3F20 S24F20-S22 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-N 3.1Å
23P48.7Very low46.3Very low125 Ų125129 Ų12981%0.81276%0.762SS**THydrogen-bonded Turntrans-76.612.4-168.231.4-36000114.9
24S45.6Very low47.1Very low93 Ų93135 Ų13565%0.6577%0.767SS**THydrogen-bonded Turntrans-95.4-5.7-172.756.40000115.6S22S22-S24 PolarHBondContact O-N 3.1Å
25D40.1Very low48.1Very low137 Ų137134.1 Ų134.173%0.73376%0.761SS**  trans-105.673.8174.3-71.8-19.2000110.6
26T47.8Very low49.1Very low117 Ų117140 Ų14072%0.71877%0.765SS**  trans-103.851.4179.647.80000112.2
27T44.4Very low49.9Very low143 Ų143138.4 Ų138.488%0.87774%0.74SS**SBendtrans-127.410.2170.756.10000115
28A42.6Very low51.3Low102 Ų102134.1 Ų134.184%0.84373%0.726SS**SBendtrans-153.938.6167.700000114
29S42.4Very low52.5Low91 Ų91134 Ų13464%0.63672%0.72SS**  trans-141.285164.7-174.30000109G31S29-G31 VanDerWaalsContact C-N 3.27Å; S29-G31 PolarHBondContact O-N 3.47Å
30V40.7Very low54.3Low138 Ų138135.5 Ų135.584%0.83672%0.719SS**  trans-56105.3152.2174.10000105S32V30-S32 PolarHBondContact O-N 3.21Å
31G48.8Very low55.9Low66 Ų66135 Ų13568%0.6872%0.716SS**  trans-58.786.9165.300000107.6S29 R33S29-G31 VanDerWaalsContact C-N 3.27Å; S29-G31 PolarHBondContact O-N 3.47Å; G31-R33 PolarHBondContact O-N 3.4Å
32S51.5Low57.6Low86 Ų86133.3 Ų133.360%0.60171%0.709SS**  trans-57.5107171.5162.30000105.9V30 R34V30-S32 PolarHBondContact O-N 3.21Å; S32-R34 PolarHBondContact O-N 3.15Å
33R56.9Low59.6Low228 Ų228136.6 Ų136.686%0.8671%0.714SS**  trans-40.9122166.7-78.7-180176.5170.4-1.2107.3G31 K35G31-R33 PolarHBondContact O-N 3.4Å; R33-K35 PolarHBondContact O-N 3.35Å
34R60.1Low61.2Low241 Ų241132.6 Ų132.691%0.90969%0.685SS**  trans-52.1107.5177.9-73.3-177.5-176.2170.50.5107.1S32 R36S32-R34 PolarHBondContact O-N 3.15Å; R34-R36 PolarHBondContact O-N 3.43Å; R34-R36 VanDerWaalsContact O-N 3.07Å
35K65.5Low62.8Low155 Ų155135.6 Ų135.667%0.67468%0.683SS**  trans-59.8119.6178.7-72.7-178.4178.6177.40106.1R33 V37R33-K35 PolarHBondContact O-N 3.35Å; K35-V37 HydrophobicContact CB-CG2 3.75Å; K35-V37 PolarHBondContact O-N 3.45Å
36R68.3Low64.7Low259 Ų259134.5 Ų134.598%0.97768%0.677SS**  trans-70.284.4173.4-74.6-176.1171-173.3-2.5107.5R34R34-R36 PolarHBondContact O-N 3.43Å; R34-R36 VanDerWaalsContact O-N 3.07Å
37V70.8Confident66.2Low43 Ų43135.6 Ų135.626%0.26167%0.672SS.*  trans-97.6135.3178.1-172.90000108.3K35 K39 N44 Y48K35-V37 HydrophobicContact CB-CG2 3.75Å; K35-V37 PolarHBondContact O-N 3.45Å; V37-K39 PolarHBondContact O-N 3.33Å; V37-N44 HydrophobicContact CG1-CB 4.05Å; V37-N44 WeakPolarHBondContact CG1-ND2 3.3Å; V37-Y48 HydrophobicContact CB-CD2 4.08Å; V37-Y48 HydrophobicContact CB-CE2 4.29Å; V37-Y48 HydrophobicContact CG1-CD2 3.94Å; V37-Y48 HydrophobicContact CG1-CE2 3.84Å; V37-Y48 HydrophobicContact CG2-CD1 4.34Å; V37-Y48 HydrophobicContact CG2-CD2 4Å; V37-Y48 HydrophobicContact CG2-CE1 4.3Å; V37-Y48 HydrophobicContact CG2-CE2 3.96Å; V37-Y48 HydrophobicContact CG2-CG 4.19Å
38N74.4Confident67.8Low101 Ų101134.6 Ų134.654%0.5465%0.653SS.*  trans-59.7118.3175.4-175.6-16.2000110.4N40 N44N38-N40 VanDerWaalsContact C-N 3.34Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.22Å; N38-N40 PolarHBondContact OD1-N 3.28Å; N38-N40 PolarHBondContact OD1-ND2 2.89Å; N38-N40 PolarHBondContact OD1-OD1 3.25Å; N38-N44 WeakPolarHBondContact O-CB 3.24Å; N38-N44 PolarHBondContact O-ND2 2.92Å
39K75.1Confident69.5Low132 Ų132131.4 Ų131.457%0.57462%0.624SS**THydrogen-bonded Turntrans-87.85.7-175.8-65.8-172.4179.1-173.60114.1V37 K41V37-K39 PolarHBondContact O-N 3.33Å; K39-K41 PolarHBondContact O-N 3Å; K39-K41 VanDerWaalsContact O-N 3.14Å
40N81Confident71.4Confident145 Ų145133.4 Ų133.478%0.77563%0.628SS**THydrogen-bonded Turntrans-67.3-15.4-178.5-62.4-0.8000113.5N38N38-N40 VanDerWaalsContact C-N 3.34Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.22Å; N38-N40 PolarHBondContact OD1-N 3.28Å; N38-N40 PolarHBondContact OD1-ND2 2.89Å; N38-N40 PolarHBondContact OD1-OD1 3.25Å
41K81.9Confident73.5Confident156 Ų156129.9 Ų129.968%0.67861%0.606SS**SBendtrans-109.6131.6178-63.8-176.4-179.7-178.70111K39 K43 N44 W45K39-K41 PolarHBondContact O-N 3Å; K39-K41 VanDerWaalsContact O-N 3.14Å; K41-K43 PolarHBondContact O-N 3.46Å; K41-K43 VanDerWaalsContact O-N 3.1Å; K41-N44 PolarHBondContact O-N 3.38Å; K41-W45 PolarHBondContact O-N 3.33Å
42K81.9Confident75.3Confident164 Ų164131.4 Ų131.471%0.71360%0.599SS**Hα-helixtrans-50.7-37.1178.6-170.2174.7-177.4176.90113.7N44 W45 N46K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.98Å; K42-W45 PolarHBondContact O-N 2.91Å; K42-W45 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-OD1 3.04Å
43K82Confident77.1Confident146 Ų146133.4 Ų133.464%0.63560%0.603SS**Hα-helixtrans-60.5-33.6177.7-170.6176-177.7177.90113.3K41 K47K41-K43 PolarHBondContact O-N 3.46Å; K41-K43 VanDerWaalsContact O-N 3.1Å; K43-K47 WeakPolarHBondContact O-CG 3.24Å
44N82.4Confident78.6Confident41 Ų41126.3 Ų126.322%0.21958%0.584CS.*Hα-helixtrans-80-33.6177.2-70.6-9.7000111.1V37 N38 K41 K42 K47 Y48V37-N44 HydrophobicContact CG1-CB 4.05Å; V37-N44 WeakPolarHBondContact CG1-ND2 3.3Å; N38-N44 WeakPolarHBondContact O-CB 3.24Å; N38-N44 PolarHBondContact O-ND2 2.92Å; K41-N44 PolarHBondContact O-N 3.38Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.98Å; N44-K47 PolarHBondContact O-N 3.29Å; N44-Y48 HydrophobicContact CB-CD2 4.19Å; N44-Y48 WeakPolarHBondContact O-CD2 3.43Å; N44-Y48 PolarHBondContact O-N 3.42Å; N44-Y48 VanDerWaalsContact O-N 3.1Å
45W80Confident80Confident157 Ų157118.2 Ų118.260%0.59556%0.559SS**Hα-helixtrans-64-43.3176.1-15637.6000111.8K41 K42 K47 S49K41-W45 PolarHBondContact O-N 3.33Å; K42-W45 PolarHBondContact O-N 2.91Å; K42-W45 VanDerWaalsContact O-N 3.15Å; W45-K47 VanDerWaalsContact C-N 3.3Å; W45-K47 PolarHBondContact O-N 3.43Å; W45-S49 PolarHBondContact NE1-OG 2.98Å; W45-S49 WeakPolarHBondContact O-CB 3.49Å; W45-S49 PolarHBondContact O-N 3.33Å; W45-S49 PolarHBondContact O-OG 2.88Å
46N79.4Confident81.3Confident114 Ų114116.6 Ų116.661%0.6155%0.554SS**Hα-helixtrans-67.9-23.5177.4-69.114.1000114.3K42K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-OD1 3.04Å
47K79.3Confident82.4Confident140 Ų140110.5 Ų110.561%0.60954%0.535SS*.Hα-helixtrans-99.9-26.1-173.1-75.1-172.7176.7-156.30114.5K43 N44 W45K43-K47 WeakPolarHBondContact O-CG 3.24Å; N44-K47 PolarHBondContact O-N 3.29Å; W45-K47 VanDerWaalsContact C-N 3.3Å; W45-K47 PolarHBondContact O-N 3.43Å
48Y78Confident83.4Confident122 Ų122111.5 Ų111.548%0.47854%0.538SS..Hα-helixtrans-1240.5-170-58.2-71.1000113.6V37 N44V37-Y48 HydrophobicContact CB-CD2 4.08Å; V37-Y48 HydrophobicContact CB-CE2 4.29Å; V37-Y48 HydrophobicContact CG1-CD2 3.94Å; V37-Y48 HydrophobicContact CG1-CE2 3.84Å; V37-Y48 HydrophobicContact CG2-CD1 4.34Å; V37-Y48 HydrophobicContact CG2-CD2 4Å; V37-Y48 HydrophobicContact CG2-CE1 4.3Å; V37-Y48 HydrophobicContact CG2-CE2 3.96Å; V37-Y48 HydrophobicContact CG2-CG 4.19Å; N44-Y48 HydrophobicContact CB-CD2 4.19Å; N44-Y48 WeakPolarHBondContact O-CD2 3.43Å; N44-Y48 PolarHBondContact O-N 3.42Å; N44-Y48 VanDerWaalsContact O-N 3.1Å
49S79.4Confident84.2Confident35 Ų35112.2 Ų112.225%0.24554%0.538CS..  trans-92.5117165.3-56.40000107.8W45W45-S49 PolarHBondContact NE1-OG 2.98Å; W45-S49 WeakPolarHBondContact O-CB 3.49Å; W45-S49 PolarHBondContact O-N 3.33Å; W45-S49 PolarHBondContact O-OG 2.88Å
50D82.4Confident84.9Confident133 Ų133110.7 Ų110.771%0.71154%0.537SS*.  trans-83.7111.4169.8-167.50000107.4N52D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å
51V84.4Confident85.3Confident63 Ų63105.4 Ų105.438%0.38251%0.508SS..  trans-114.54.5-178.3-168.20000110D53 V54 D55V51-D53 VanDerWaalsContact C-N 3.25Å; V51-D53 PolarHBondContact O-N 3.47Å; V51-V54 HydrophobicContact CG1-CB 3.84Å; V51-V54 HydrophobicContact CG1-CG1 4.38Å; V51-V54 HydrophobicContact CG1-CG2 4.38Å; V51-V54 PolarHBondContact O-N 2.9Å; V51-D55 PolarHBondContact O-N 3.49Å
52N86.7Confident85.6Confident99 Ų99102.7 Ų102.753%0.52949%0.494SS..Hα-helixtrans-56.8-39.2-174.5-68.2-12.2000112.1D50 V54 D55 E56D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å; N52-V54 PolarHBondContact O-N 3.38Å; N52-D55 PolarHBondContact O-N 3Å; N52-E56 VanDerWaalsContact O-CB 3.28Å; N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.22Å; N52-E56 WeakPolarHBondContact O-CG 3.48Å; N52-E56 PolarHBondContact O-N 3.18Å
53D88.8Confident85.8Confident128 Ų128100 Ų10068%0.68448%0.484SS*.Hα-helixtrans-60.2-42.8175.7-175.314.3000112.4V51 F57V51-D53 VanDerWaalsContact C-N 3.25Å; V51-D53 PolarHBondContact O-N 3.47Å; D53-F57 WeakPolarHBondContact O-CB 3.47Å; D53-F57 PolarHBondContact O-N 2.88Å
54V88.7Confident86.1Confident78 Ų7896.4 Ų96.447%0.47347%0.469SS..Hα-helixtrans-71.9-37.9177.5179.50000110.9V51 N52 L58V51-V54 HydrophobicContact CG1-CB 3.84Å; V51-V54 HydrophobicContact CG1-CG1 4.38Å; V51-V54 HydrophobicContact CG1-CG2 4.38Å; V51-V54 PolarHBondContact O-N 2.9Å; N52-V54 PolarHBondContact O-N 3.38Å; V54-L58 HydrophobicContact CG1-CD1 4.12Å; V54-L58 HydrophobicContact CG1-CG 4.47Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.87Å
55D89.1Confident86.2Confident72 Ų7298 Ų9839%0.38548%0.475SS..Hα-helixtrans-67.7-43.1177.5-75.3-26.9000111.2V51 N52 L58 E59V51-D55 PolarHBondContact O-N 3.49Å; N52-D55 PolarHBondContact O-N 3Å; D55-L58 PolarHBondContact O-N 3.03Å; D55-E59 WeakPolarHBondContact O-CB 3.34Å; D55-E59 VanDerWaalsContact O-CG 3.28Å; D55-E59 WeakPolarHBondContact O-CG 3.49Å; D55-E59 PolarHBondContact O-N 2.98Å
56E92.7Very high86.5Confident120 Ų12096.8 Ų96.856%0.56147%0.47SS*.Hα-helixtrans-59.5-46.6173.8-76.1171.6-163.400110.7N52 L58 E59 D60N52-E56 VanDerWaalsContact O-CB 3.28Å; N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.22Å; N52-E56 WeakPolarHBondContact O-CG 3.48Å; N52-E56 PolarHBondContact O-N 3.18Å; E56-L58 PolarHBondContact O-N 3.24Å; E56-E59 PolarHBondContact O-N 3.49Å; E56-D60 WeakPolarHBondContact O-CB 3.43Å; E56-D60 PolarHBondContact O-N 2.9Å
57F91.8Very high86.7Confident131 Ų13195.4 Ų95.458%0.57547%0.466SS*.Hα-helixtrans-60.5-43.3175.2175.5-104.8000113D53 D60 I61D53-F57 WeakPolarHBondContact O-CB 3.47Å; D53-F57 PolarHBondContact O-N 2.88Å; F57-D60 PolarHBondContact O-N 2.93Å; F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CE1-CD1 3.32Å; F57-I61 HydrophobicContact CE1-CG1 4.47Å; F57-I61 HydrophobicContact CE2-CD1 4.15Å; F57-I61 HydrophobicContact CG-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.47Å; F57-I61 PolarHBondContact O-N 2.86Å
58L92.2Very high86.8Confident64 Ų6490.6 Ų90.634%0.33545%0.448SS..Hα-helixtrans-70.7-32.2177.2-70.3175.2000112.3V54 D55 E56 I61 R62V54-L58 HydrophobicContact CG1-CD1 4.12Å; V54-L58 HydrophobicContact CG1-CG 4.47Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.87Å; D55-L58 PolarHBondContact O-N 3.03Å; E56-L58 PolarHBondContact O-N 3.24Å; L58-I61 HydrophobicContact CD2-CD1 4.44Å; L58-R62 WeakPolarHBondContact O-CG 3.4Å; L58-R62 PolarHBondContact O-N 2.84Å
59E89.9Confident86.8Confident116 Ų11687 Ų8754%0.54245%0.449SS..Hα-helixtrans-68-40.4173.1-77.9-176.7-179.500111.8D55 E56 R62 H63D55-E59 WeakPolarHBondContact O-CB 3.34Å; D55-E59 VanDerWaalsContact O-CG 3.28Å; D55-E59 WeakPolarHBondContact O-CG 3.49Å; D55-E59 PolarHBondContact O-N 2.98Å; E56-E59 PolarHBondContact O-N 3.49Å; E59-R62 PolarHBondContact O-N 3.19Å; E59-H63 VanDerWaalsContact O-CB 3.32Å; E59-H63 WeakPolarHBondContact O-CB 3.47Å; E59-H63 PolarHBondContact O-N 2.95Å
60D90Very high87Confident101 Ų10186.3 Ų86.354%0.5445%0.447SS..Hα-helixtrans-62.5-44.2173.8-84.1-10.6000111.8E56 F57 R62 H63 Q64E56-D60 WeakPolarHBondContact O-CB 3.43Å; E56-D60 PolarHBondContact O-N 2.9Å; F57-D60 PolarHBondContact O-N 2.93Å; D60-R62 PolarHBondContact O-N 3.24Å; D60-H63 WeakPolarHBondContact O-CB 3.37Å; D60-H63 PolarHBondContact O-N 3.27Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å
61I90.5Very high87.1Confident33 Ų3382.1 Ų82.117%0.16943%0.425CS..Hα-helixtrans-57.7-50.8173-72.7166000110.6F57 L58 H63 Q64 E65 L71F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CE1-CD1 3.32Å; F57-I61 HydrophobicContact CE1-CG1 4.47Å; F57-I61 HydrophobicContact CE2-CD1 4.15Å; F57-I61 HydrophobicContact CG-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.47Å; F57-I61 PolarHBondContact O-N 2.86Å; L58-I61 HydrophobicContact CD2-CD1 4.44Å; I61-H63 PolarHBondContact O-N 3.01Å; I61-Q64 WeakPolarHBondContact O-CB 3.49Å; I61-Q64 PolarHBondContact O-N 2.95Å; I61-Q64 VanDerWaalsContact O-N 3.17Å; I61-E65 HydrophobicContact CG2-CG 4.46Å; I61-E65 WeakPolarHBondContact O-CG 3.28Å; I61-E65 PolarHBondContact O-N 2.85Å; I61-L71 HydrophobicContact CG2-CD1 3.87Å
62R87.6Confident87Confident100 Ų10083.4 Ų83.438%0.37743%0.429SS..Hα-helixtrans-61.4-34.6178.5-70.1171.5-158.8131.30.3111.7L58 E59 D60 R66L58-R62 WeakPolarHBondContact O-CG 3.4Å; L58-R62 PolarHBondContact O-N 2.84Å; E59-R62 PolarHBondContact O-N 3.19Å; D60-R62 PolarHBondContact O-N 3.24Å; R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.36Å; R62-R66 PolarHBondContact O-N 2.9Å
63H87.5Confident86.9Confident108 Ų10883.5 Ų83.550%0.544%0.437SS..Hα-helixtrans-67.3-42.2177.2-176-86.3000111.5E59 D60 I61 R66 T67E59-H63 VanDerWaalsContact O-CB 3.32Å; E59-H63 WeakPolarHBondContact O-CB 3.47Å; E59-H63 PolarHBondContact O-N 2.95Å; D60-H63 WeakPolarHBondContact O-CB 3.37Å; D60-H63 PolarHBondContact O-N 3.27Å; I61-H63 PolarHBondContact O-N 3.01Å; H63-R66 PolarHBondContact O-N 3.2Å; H63-T67 WeakPolarHBondContact O-CB 3.23Å; H63-T67 PolarHBondContact O-N 3.43Å; H63-T67 PolarHBondContact O-OG1 2.84Å
64Q87.7Confident86.7Confident70 Ų7084.7 Ų84.733%0.32744%0.439SS..Hα-helixtrans-62.6-43.7173.7-69.117626.800111.5D60 I61 R66 T67 T68 G70D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å; I61-Q64 WeakPolarHBondContact O-CB 3.49Å; I61-Q64 PolarHBondContact O-N 2.95Å; I61-Q64 VanDerWaalsContact O-N 3.17Å; Q64-R66 PolarHBondContact O-N 3.35Å; Q64-T67 PolarHBondContact O-N 2.91Å; Q64-T68 WeakPolarHBondContact O-CA 3.46Å; Q64-T68 WeakPolarHBondContact O-CB 3.23Å; Q64-T68 PolarHBondContact O-N 3.14Å; Q64-T68 PolarHBondContact O-OG1 3.25Å; Q64-G70 CarbonylContact C-O 3.47Å
65E85.1Confident86.5Confident74 Ų7483.8 Ų83.835%0.34643%0.428SS..Hα-helixtrans-61.3-42.4175.7-71.5177.4167.700112.4I61 G69 L71 V126I61-E65 HydrophobicContact CG2-CG 4.46Å; I61-E65 WeakPolarHBondContact O-CG 3.28Å; I61-E65 PolarHBondContact O-N 2.85Å; E65-G69 WeakPolarHBondContact O-CA 3.42Å; E65-G69 PolarHBondContact O-N 3.46Å; E65-L71 HydrophobicContact CG-CD1 4.48Å; E65-V126 HydrophobicContact CB-CG2 3.98Å
66R85.6Confident86.5Confident131 Ų13184.9 Ų84.949%0.49444%0.438SS..Hα-helixtrans-65.9-45.9178.5-72.8171.9-160146.73.1112.8R62 H63 Q64 L125 V126R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.36Å; R62-R66 PolarHBondContact O-N 2.9Å; H63-R66 PolarHBondContact O-N 3.2Å; Q64-R66 PolarHBondContact O-N 3.35Å; R66-L125 PolarHBondContact O-N 2.89Å; R66-L125 VanDerWaalsContact O-N 3.12Å; R66-V126 HydrophobicContact CG-CG2 4.3Å
67T83.8Confident86.1Confident86 Ų8684.5 Ų84.553%0.52844%0.44SS..Hα-helixtrans-83-37.7-170.4-49.20000112H63 Q64 L125H63-T67 WeakPolarHBondContact O-CB 3.23Å; H63-T67 PolarHBondContact O-N 3.43Å; H63-T67 PolarHBondContact O-OG1 2.84Å; Q64-T67 PolarHBondContact O-N 2.91Å; T67-L125 WeakPolarHBondContact O-CD1 3.45Å
68T80.6Confident85.8Confident38 Ų3885.5 Ų85.523%0.23345%0.451CS..Hα-helixtrans-113.7-14-172.179.10000112.6Q64 G70 L72 K75Q64-T68 WeakPolarHBondContact O-CA 3.46Å; Q64-T68 WeakPolarHBondContact O-CB 3.23Å; Q64-T68 PolarHBondContact O-N 3.14Å; Q64-T68 PolarHBondContact O-OG1 3.25Å; T68-G70 PolarHBondContact OG1-O 2.99Å; T68-L72 HydrophobicContact CG2-CD1 4.15Å; T68-K75 VanDerWaalsContact O-CE 3.27Å; T68-K75 WeakPolarHBondContact O-CE 3.42Å; T68-K75 PolarHBondContact O-NZ 2.98Å
69G78.6Confident85.4Confident48 Ų4886.2 Ų86.250%0.49546%0.461SS..SBendtrans83.315.3179.800000114.6E65E65-G69 WeakPolarHBondContact O-CA 3.42Å; E65-G69 PolarHBondContact O-N 3.46Å
70G82.5Confident85.1Confident20 Ų2083.5 Ų83.521%0.20645%0.45CS..SBendtrans171.8-178177.400000111.6Q64 T68Q64-G70 CarbonylContact C-O 3.47Å; T68-G70 PolarHBondContact OG1-O 2.99Å
71L84.8Confident84.8Confident45 Ų4585.6 Ų85.624%0.23646%0.455CS..  trans-70.2139.8170.8-94.267.1000110.2I61 E65 S73 E74I61-L71 HydrophobicContact CG2-CD1 3.87Å; E65-L71 HydrophobicContact CG-CD1 4.48Å; L71-S73 PolarHBondContact O-N 3.37Å; L71-E74 HydrophobicContact CB-CG 4.14Å; L71-E74 PolarHBondContact O-N 3.44Å
72L82.1Confident84.4Confident89 Ų8992 Ų9247%0.46648%0.481SS..G310 helixtrans-63.7-29.7-179.6-152.974.5000112.1T68 E74 L80T68-L72 HydrophobicContact CG2-CD1 4.15Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.45Å; L72-L80 HydrophobicContact CD1-CD2 3.71Å; L72-L80 HydrophobicContact CG-CD2 4.03Å
73S84.4Confident84.2Confident102 Ų10294.7 Ų94.771%0.71350%0.503SS*.G310 helixtrans-70.6-22.2178.654.40000114.6L71L71-S73 PolarHBondContact O-N 3.37Å
74E86.3Confident83.7Confident152 Ų15295.6 Ų95.671%0.7151%0.511SS*.G310 helixtrans-93.9-10.4-177.3-64.5-177.7168.800112.7L71 L72L71-E74 HydrophobicContact CB-CG 4.14Å; L71-E74 PolarHBondContact O-N 3.44Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.45Å
75K84.1Confident83Confident59 Ų5998.9 Ų98.926%0.25753%0.53SS..SBendtrans-77.3140.7-179.8-70-176170.2-147.80110.9T68 L80T68-K75 VanDerWaalsContact O-CE 3.27Å; T68-K75 WeakPolarHBondContact O-CE 3.42Å; T68-K75 PolarHBondContact O-NZ 2.98Å; K75-L80 HydrophobicContact CB-CD1 4.32Å; K75-L80 HydrophobicContact CB-CD2 4.03Å; K75-L80 HydrophobicContact CB-CG 4.05Å; K75-L80 HydrophobicContact CD-CD2 3.98Å
76T89.4Confident82.1Confident95 Ų9598.3 Ų98.358%0.58354%0.544SS*.  trans-67.5145.2173.255.30000110.6D78 S79 L80T76-D78 PolarHBondContact O-N 2.98Å; T76-D78 VanDerWaalsContact O-N 3.14Å; T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 2.92Å; T76-L80 PolarHBondContact O-N 3.2Å
77D84.4Confident80.5Confident113 Ų113100.9 Ų100.960%0.60456%0.562SS**Hα-helixtrans-53.8-36.3-179.7-68.9-25.7000112.5S79 L80 F81D77-S79 PolarHBondContact O-N 3.39Å; D77-S79 VanDerWaalsContact O-N 3.15Å; D77-L80 PolarHBondContact O-N 3.47Å; D77-F81 HydrophobicContact CB-CD2 4.24Å; D77-F81 WeakPolarHBondContact O-CD2 3.46Å; D77-F81 PolarHBondContact O-N 2.79Å
78D84.7Confident79.1Confident152 Ų152102 Ų10281%0.81357%0.57SS**Hα-helixtrans-58.9-25.6175.7-62.6-19.3000114.3T76T76-D78 PolarHBondContact O-N 2.98Å; T76-D78 VanDerWaalsContact O-N 3.14Å
79S83.5Confident77.8Confident78 Ų78109 Ų10955%0.54560%0.6SS.*Hα-helixtrans-89.8-22.5176.9179.90000112.4T76 D77T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 2.92Å; D77-S79 PolarHBondContact O-N 3.39Å; D77-S79 VanDerWaalsContact O-N 3.15Å
80L82.9Confident76.1Confident59 Ų59116 Ų11631%0.30962%0.618SS.*Hα-helixtrans-88.6-37.7-178.5-66.8174.6000110.9L72 K75 T76 D77L72-L80 HydrophobicContact CD1-CD2 3.71Å; L72-L80 HydrophobicContact CG-CD2 4.03Å; K75-L80 HydrophobicContact CB-CD1 4.32Å; K75-L80 HydrophobicContact CB-CD2 4.03Å; K75-L80 HydrophobicContact CB-CG 4.05Å; K75-L80 HydrophobicContact CD-CD2 3.98Å; T76-L80 PolarHBondContact O-N 3.2Å; D77-L80 PolarHBondContact O-N 3.47Å
81F84.8Confident74.2Confident146 Ų146120.8 Ų120.864%0.6465%0.645SS**  trans-117.4124.2-176.2-54.6-74.2000109.7D77D77-F81 HydrophobicContact CB-CD2 4.24Å; D77-F81 WeakPolarHBondContact O-CD2 3.46Å; D77-F81 PolarHBondContact O-N 2.79Å
82F82.9Confident72.2Confident166 Ų166126.6 Ų126.673%0.72867%0.671SS**  trans-109.2131.5163.366.6-83.2000107.8D84F82-D84 HydrophobicContact CD2-CB 4.09Å; F82-D84 HydrophobicContact CE2-CB 3.78Å; F82-D84 PolarHBondContact O-N 3.35Å
83L82.1Confident70.3Confident157 Ų157128.6 Ų128.682%0.82269%0.689SS**  trans-77.6103.9169.9-68.1175.1000107.5L85L83-L85 PolarHBondContact O-N 3.2Å
84D77.7Confident68Low128 Ų128132.2 Ų132.268%0.68470%0.695SS**  trans-73.277.2172.8-159.85.8000109.5F82 G86F82-D84 HydrophobicContact CD2-CB 4.09Å; F82-D84 HydrophobicContact CE2-CB 3.78Å; F82-D84 PolarHBondContact O-N 3.35Å; D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 PolarHBondContact O-N 2.99Å
85L72.5Confident66Low138 Ų138129.9 Ų129.972%0.72370%0.702SS**  trans-72.592.7161.8-58.6179.2000105.4L83 Q87L83-L85 PolarHBondContact O-N 3.2Å; L85-Q87 PolarHBondContact O-N 3.38Å
86G66.3Low63.7Low62 Ų62136.1 Ų136.164%0.63973%0.732SS**  trans-40.4134.7-174.500000112.5D84D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 PolarHBondContact O-N 2.99Å
87Q53Low60.9Low185 Ų185137.8 Ų137.886%0.86474%0.742SS**  trans0.499.2-172.6-67.5-169.1-3.600115L85 E89L85-Q87 PolarHBondContact O-N 3.38Å; Q87-E89 PolarHBondContact O-N 2.91Å; Q87-E89 VanDerWaalsContact O-N 3.15Å
88P53.6Low58.8Low109 Ų109138.6 Ų138.671%0.70875%0.753SS**  trans-57.8126.5158.924.9-31.5000107.3K90P88-K90 PolarHBondContact O-N 3.41Å
89E53.3Low56.3Low185 Ų185140.4 Ų140.486%0.86476%0.757SS**  trans-47.6128.5172.6-68.6-164.215700108.4Q87 P91Q87-E89 PolarHBondContact O-N 2.91Å; Q87-E89 VanDerWaalsContact O-N 3.15Å; E89-P91 VanDerWaalsContact O-CD 3.29Å; E89-P91 WeakPolarHBondContact O-CD 3.27Å
90K42Very low54Low196 Ų196141.2 Ų141.285%0.85277%0.769SS**  trans-42.9114.6-178.8-68.1168.5-177.9166.30109P88 Q92P88-K90 PolarHBondContact O-N 3.41Å; K90-Q92 PolarHBondContact O-N 2.86Å
91P43.9Very low51.6Low121 Ų121146.3 Ų146.379%0.78680%0.796SS**  trans-62.4117.417421.9-29.4000107.7E89E89-P91 VanDerWaalsContact O-CD 3.29Å; E89-P91 WeakPolarHBondContact O-CD 3.27Å
92Q43.4Very low49.4Very low166 Ų166148.9 Ų148.978%0.77681%0.81SS**  trans-55.6135.8166.8-64.5-177.7-2.300107.6K90 Q94K90-Q92 PolarHBondContact O-N 2.86Å; Q92-Q94 VanDerWaalsContact C-N 3.32Å; Q92-Q94 PolarHBondContact O-N 3.13Å
93P41.4Very low47.3Very low132 Ų132144.6 Ų144.686%0.85781%0.813SS**  trans-6994.9176.927.5-31.1000108.5
94Q36.6Very low45.2Very low178 Ų178146.8 Ų146.883%0.83282%0.816SS**  trans-69.1131.4166.4-73-174.9-5.700108.5Q92 E96Q92-Q94 VanDerWaalsContact C-N 3.32Å; Q92-Q94 PolarHBondContact O-N 3.13Å; Q94-E96 PolarHBondContact O-N 2.98Å
95A43.1Very low43.4Very low103 Ų103150.2 Ų150.285%0.85182%0.824SS**  trans-68.1116.8-179.800000110
96E36.3Very low42Very low189 Ų189155.3 Ų155.388%0.88383%0.834SS**  trans-109139.1158.8-71.6-173.5177.100109.9Q94Q94-E96 PolarHBondContact O-N 2.98Å
97T31.4Very low41.1Very low131 Ų131164 Ų16480%0.80485%0.848SS**  trans-56.4154.1-16650.10000116.4Q99T97-Q99 PolarHBondContact O-N 3.49Å
98P38.8Very low40.9Very low129 Ų129158.2 Ų158.284%0.83884%0.837SS**  trans-82.1112.3-177.831.4-31.7000112
99Q32.1Very low41.1Very low190 Ų190162.8 Ų162.889%0.88885%0.846SS**  trans-97.6129.2152.7-80.8-175.1-3.600109.4T97 D101T97-Q99 PolarHBondContact O-N 3.49Å; Q99-D101 PolarHBondContact O-N 3.5Å
100A36Very low41.3Very low96 Ų96158.6 Ų158.679%0.79384%0.843SS**  trans-68.8124.4-176.300000111
101D33.5Very low42.4Very low166 Ų166154.3 Ų154.389%0.88884%0.838SS**  trans-143.4106.8152.3-108-15000108.4Q99Q99-D101 PolarHBondContact O-N 3.5Å
102E36.8Very low43.9Very low200 Ų200159.7 Ų159.794%0.93584%0.842SS**  trans-69.2139.6175.8-68.2-148.715400111
103G39.5Very low45.5Very low76 Ų76154.7 Ų154.778%0.78482%0.824SS**  trans1236.8154.200000118.3
104K37.3Very low47.6Very low202 Ų202153.7 Ų153.788%0.87881%0.811SS**  trans-119.797.9167.7-71.9178.6-174.4168.40110.5R106K104-R106 PolarHBondContact O-N 2.68Å
105K40.3Very low49.6Very low200 Ų200155 Ų15587%0.8781%0.808SS**  trans-40.3117.9164.3-68.8177.9179.8177.40108.1R107K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 2.92Å
106R44.6Very low51.6Low245 Ų245155.4 Ų155.493%0.92580%0.795SS**  trans-44.2101.5169.3-68.9176170.5179.7-4.1107.2K104 G108K104-R106 PolarHBondContact O-N 2.68Å; R106-G108 VanDerWaalsContact C-N 3.27Å; R106-G108 PolarHBondContact O-N 3.38Å
107R46.3Very low53.8Low246 Ų246149.8 Ų149.893%0.92877%0.771SS**  trans-62.7105.2164.9-73.8-172.5176.7-173.70.1102.7K105 K109K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 2.92Å; R107-K109 PolarHBondContact O-N 2.98Å
108G49.3Very low56.3Low62 Ų62147.8 Ų147.864%0.63976%0.755SS**  trans-45.5135.2175.700000107.5R106 A110R106-G108 VanDerWaalsContact C-N 3.27Å; R106-G108 PolarHBondContact O-N 3.38Å; G108-A110 PolarHBondContact O-N 3.15Å
109K57.2Low58.5Low206 Ų206147.5 Ų147.590%0.89675%0.745SS**  trans-31.5112.3171.5-62175-179.1-177.40106.9R107 S111R107-K109 PolarHBondContact O-N 2.98Å; K109-S111 PolarHBondContact O-N 3.47Å
110A57.6Low61Low96 Ų96145.2 Ų145.279%0.79374%0.738SS**  trans-50.5113.1-175.300000106.1G108 R112G108-A110 PolarHBondContact O-N 3.15Å; A110-R112 PolarHBondContact O-N 3.01Å
111S65.7Low63.2Low107 Ų107145.6 Ų145.675%0.74872%0.723SS**  trans-55.7122.9-175.648.80000105.8K109 P113K109-S111 PolarHBondContact O-N 3.47Å; S111-P113 VanDerWaalsContact O-N 3.12Å
112R73.9Confident65.4Low234 Ų234142.7 Ų142.788%0.88371%0.714SS**  trans-45127.8170.9-69.6173.8116.3163.11.4106.3A110 L114A110-R112 PolarHBondContact O-N 3.01Å; R112-L114 PolarHBondContact O-N 2.87Å
113P78.2Confident67.5Low60 Ų60140.7 Ų140.739%0.3971%0.709SS.*  trans-51.9142.8-177.521.7-33.3000108.9S111 D117 L118S111-P113 VanDerWaalsContact O-N 3.12Å; P113-D117 HydrophobicContact CB-CB 4.43Å; P113-L118 HydrophobicContact CB-CD2 4.33Å; P113-L118 HydrophobicContact CB-CG 4.14Å; P113-L118 HydrophobicContact CG-CD1 4.23Å; P113-L118 HydrophobicContact CG-CD2 3.55Å; P113-L118 HydrophobicContact CG-CG 3.73Å
114L84.8Confident69.5Low111 Ų111139.7 Ų139.758%0.58169%0.69SS**  trans-57.9148.3178.2-64.8166.6000108.2R112 I116 D117 L118R112-L114 PolarHBondContact O-N 2.87Å; L114-I116 HydrophobicContact CB-CG1 3.73Å; L114-I116 HydrophobicContact CD1-CD1 4.34Å; L114-I116 HydrophobicContact CD1-CG1 4.43Å; L114-I116 PolarHBondContact O-N 2.96Å; L114-I116 VanDerWaalsContact O-N 3.09Å; L114-D117 WeakPolarHBondContact O-CA 3.43Å; L114-D117 PolarHBondContact O-N 2.99Å; L114-L118 PolarHBondContact O-N 2.95Å
115R79.9Confident71.6Confident207 Ų207135.3 Ų135.378%0.78168%0.676SS**Hα-helixtrans-55.1-33.3179.7-173.4172177.3154.4-0.7112.2L118 I119R115-L118 PolarHBondContact O-N 3.4Å; R115-I119 HydrophobicContact CG-CD1 4.3Å; R115-I119 WeakPolarHBondContact O-CD1 3.36Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.87Å; R115-I119 VanDerWaalsContact O-N 3.15Å
116I85.1Confident73.7Confident111 Ų111128.5 Ų128.557%0.56965%0.651SS**Hα-helixtrans-64.1-39174.356.8167.6000112.6L114 I119 L120L114-I116 HydrophobicContact CB-CG1 3.73Å; L114-I116 HydrophobicContact CD1-CD1 4.34Å; L114-I116 HydrophobicContact CD1-CG1 4.43Å; L114-I116 PolarHBondContact O-N 2.96Å; L114-I116 VanDerWaalsContact O-N 3.09Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.9Å
117D81.2Confident75.3Confident71 Ų71121.9 Ų121.938%0.3864%0.64SS.*Hα-helixtrans-75.7-32.7-179.5-60.1-28.7000110.6P113 L114 L120 Q121P113-D117 HydrophobicContact CB-CB 4.43Å; L114-D117 WeakPolarHBondContact O-CA 3.43Å; L114-D117 PolarHBondContact O-N 2.99Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.45Å
118L84.3Confident76.9Confident88 Ų88115.5 Ų115.546%0.46163%0.63SS.*Hα-helixtrans-62.9-39.7171.7-77.1170.7000112.2P113 L114 R115 L120 Q121P113-L118 HydrophobicContact CB-CD2 4.33Å; P113-L118 HydrophobicContact CB-CG 4.14Å; P113-L118 HydrophobicContact CG-CD1 4.23Å; P113-L118 HydrophobicContact CG-CD2 3.55Å; P113-L118 HydrophobicContact CG-CG 3.73Å; L114-L118 PolarHBondContact O-N 2.95Å; R115-L118 PolarHBondContact O-N 3.4Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 2.7Å; L118-Q121 PolarHBondContact O-N 3.29Å
119I84.9Confident78.4Confident124 Ų124118.4 Ų118.464%0.63664%0.638SS**Hα-helixtrans-68.5-28.3177.2-67.1162000111.6R115 I116R115-I119 HydrophobicContact CG-CD1 4.3Å; R115-I119 WeakPolarHBondContact O-CD1 3.36Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.87Å; R115-I119 VanDerWaalsContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 3.49Å
120L84.2Confident79Confident142 Ų142116.9 Ų116.974%0.74363%0.631SS**THydrogen-bonded Turntrans-85.5-9.6179-69171.2000113.4I116 D117 L118I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.9Å; D117-L120 PolarHBondContact O-N 3.35Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 2.7Å
121Q82.1Confident79.5Confident104 Ų104117 Ų11749%0.48662%0.618SS.*SBendtrans-72.1143.1173.6-76.91754.100109.9D117 L118 D123D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.45Å; L118-Q121 PolarHBondContact O-N 3.29Å; Q121-D123 PolarHBondContact O-N 2.95Å
122P80.9Confident79.6Confident105 Ų105118.1 Ų118.168%0.68262%0.615SS**  trans-65.3132.817827.4-33.6000110.4S124P122-S124 PolarHBondContact O-N 3.05Å
123D79.6Confident79.1Confident157 Ų157113.1 Ų113.184%0.8461%0.605SS**SBendtrans-67.7-22.6179.3-62.5-33000112.8Q121Q121-D123 PolarHBondContact O-N 2.95Å
124S81.7Confident78.3Confident56 Ų56113.6 Ų113.639%0.39261%0.614SS.*  trans-81.7123.7178.763.60000111.4P122 V126P122-S124 PolarHBondContact O-N 3.05Å; S124-V126 PolarHBondContact O-N 3.25Å
125L82.6Confident77.1Confident110 Ų110116.8 Ų116.858%0.57662%0.619SS**  trans-74.5-4.7173.1-71.3159.7000113.5R66 T67R66-L125 PolarHBondContact O-N 2.89Å; R66-L125 VanDerWaalsContact O-N 3.12Å; T67-L125 WeakPolarHBondContact O-CD1 3.45Å
126V82.8Confident76.4Confident57 Ų57113.2 Ų113.235%0.34561%0.611SS.*SBendtrans-75.1127.7176.3178.90000109.5E65 R66 S124E65-V126 HydrophobicContact CB-CG2 3.98Å; R66-V126 HydrophobicContact CG-CG2 4.3Å; S124-V126 PolarHBondContact O-N 3.25Å
127P79.9Confident75.5Confident106 Ų106113.7 Ų113.769%0.68861%0.612SS**PPolyproline II helixtrans-62.7137.617726.2-33.6000110
128P80.1Confident75.1Confident111 Ų111115.7 Ų115.772%0.72163%0.628SS**PPolyproline II helixtrans-60.6145.8178.425.6-33.9000110.2K130P128-K130 PolarHBondContact O-N 3.38Å
129P78.8Confident74.9Confident124 Ų124117.1 Ų117.181%0.80564%0.636SS**PPolyproline II helixtrans-55.813517623.1-32.2000109.4D131P129-D131 PolarHBondContact O-N 3.23Å
130K70.5Confident74.7Confident174 Ų174113 Ų11376%0.75762%0.621SS**  trans-60.8109.7-179.2-68.4177.8-177.41730108.7P128 I132 Y135P128-K130 PolarHBondContact O-N 3.38Å; K130-I132 PolarHBondContact O-N 3.5Å; K130-Y135 HydrophobicContact CB-CE2 4.25Å
131D69.4Low74.6Confident98 Ų98114.6 Ų114.652%0.52462%0.622SS.*  trans-70.399.9174.9-170.1-3.7000109.2P129 L133 A134 Y135P129-D131 PolarHBondContact O-N 3.23Å; D131-L133 PolarHBondContact O-N 3.21Å; D131-L133 VanDerWaalsContact O-N 3.07Å; D131-L133 PolarHBondContact OD1-N 2.9Å; D131-A134 HydrophobicContact CB-CB 3.87Å; D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.27Å; D131-Y135 VanDerWaalsContact O-CD2 3.25Å; D131-Y135 WeakPolarHBondContact O-CD2 3.22Å; D131-Y135 PolarHBondContact O-N 2.92Å
132I66.4Low74.8Confident131 Ų131116 Ų11667%0.67263%0.626SS**THydrogen-bonded Turntrans-58-28-172.1-53.4168.1000110.6K130K130-I132 PolarHBondContact O-N 3.5Å
133L63.9Low75.1Confident129 Ų129115.4 Ų115.468%0.67562%0.617SS**THydrogen-bonded Turntrans-78.2-34.9177.5-63.7175.7000112.8D131 Y135 Q136D131-L133 PolarHBondContact O-N 3.21Å; D131-L133 VanDerWaalsContact O-N 3.07Å; D131-L133 PolarHBondContact OD1-N 2.9Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 3.21Å; L133-Q136 PolarHBondContact O-N 3.38Å
134A60.3Low75.5Confident70 Ų70116.9 Ų116.958%0.57961%0.611SS**THydrogen-bonded Turntrans-65.9-28.3178.400000112.8D131D131-A134 HydrophobicContact CB-CB 3.87Å; D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.27Å
135Y59.5Low75.9Confident177 Ų177123 Ų12369%0.69463%0.625SS**THydrogen-bonded Turntrans-86.1-13.5175.8-68.2-79000113.8K130 D131 L133 Q137K130-Y135 HydrophobicContact CB-CE2 4.25Å; D131-Y135 VanDerWaalsContact O-CD2 3.25Å; D131-Y135 WeakPolarHBondContact O-CD2 3.22Å; D131-Y135 PolarHBondContact O-N 2.92Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 3.21Å; Y135-Q137 VanDerWaalsContact C-N 3.28Å; Y135-Q137 PolarHBondContact O-N 3.28Å
136Q67.2Low76.2Confident132 Ų132122.4 Ų122.462%0.61762%0.622SS**  trans-78.580.5169.4-71.5-172.123.700109.7L133 P138L133-Q136 PolarHBondContact O-N 3.38Å; Q136-P138 VanDerWaalsContact O-CD 3.22Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å; Q136-P138 VanDerWaalsContact O-N 3.14Å
137Q65.7Low76.6Confident122 Ų122122 Ų12257%0.5762%0.624SS**  trans-62.9116170.5-69.8-177.5-15.800109.1Y135 N139 A140Y135-Q137 VanDerWaalsContact C-N 3.28Å; Y135-Q137 PolarHBondContact O-N 3.28Å; Q137-N139 PolarHBondContact O-N 3.03Å; Q137-A140 HydrophobicContact CB-CB 4.12Å; Q137-A140 WeakPolarHBondContact O-CB 3.38Å; Q137-A140 PolarHBondContact O-N 2.84Å
138P73.4Confident77.3Confident112 Ų112122 Ų12273%0.72762%0.615SS**THydrogen-bonded Turntrans-57.8130.9175.823.7-32.5000108.6Q136 A140Q136-P138 VanDerWaalsContact O-CD 3.22Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å; Q136-P138 VanDerWaalsContact O-N 3.14Å; P138-A140 PolarHBondContact O-N 3.44Å
139N78.3Confident77.8Confident119 Ų119123.2 Ų123.264%0.63661%0.609SS**THydrogen-bonded Turntrans65.426.2-175.5-58.3-54.1000116.5Q137 K141 K142 L143Q137-N139 PolarHBondContact O-N 3.03Å; N139-K141 VanDerWaalsContact C-N 3.25Å; N139-K141 PolarHBondContact O-N 3.25Å; N139-K141 VanDerWaalsContact O-N 3.14Å; N139-K142 HydrophobicContact CB-CB 4.16Å; N139-K142 WeakPolarHBondContact O-CA 3.47Å; N139-K142 WeakPolarHBondContact O-CB 3.46Å; N139-K142 PolarHBondContact O-N 3.34Å; N139-L143 PolarHBondContact O-N 3.45Å; N139-L143 VanDerWaalsContact O-N 3.1Å
140A81.8Confident78.3Confident38 Ų38120 Ų12031%0.31459%0.593SS.*Hα-helixtrans-48.9-41.3176.700000114.2Q137 P138 K142 L143 R144Q137-A140 HydrophobicContact CB-CB 4.12Å; Q137-A140 WeakPolarHBondContact O-CB 3.38Å; Q137-A140 PolarHBondContact O-N 2.84Å; P138-A140 PolarHBondContact O-N 3.44Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.42Å; A140-L143 PolarHBondContact O-N 2.9Å; A140-R144 PolarHBondContact O-N 3.43Å
141K81.9Confident79.3Confident174 Ų174118.2 Ų118.276%0.75759%0.587SS**Hα-helixtrans-61.3-37.8176.8-70.4-175-179.9179.40112.4N139 R145N139-K141 VanDerWaalsContact C-N 3.25Å; N139-K141 PolarHBondContact O-N 3.25Å; N139-K141 VanDerWaalsContact O-N 3.14Å; K141-R145 WeakPolarHBondContact O-CG 3.49Å; K141-R145 PolarHBondContact O-N 3.46Å; K141-R145 VanDerWaalsContact O-N 3.12Å
142K86.3Confident80.4Confident134 Ų134119.2 Ų119.258%0.58359%0.589SS**Hα-helixtrans-70.3-42.8178-171-179.9180178.40110.8N139 A140 R145 I146N139-K142 HydrophobicContact CB-CB 4.16Å; N139-K142 WeakPolarHBondContact O-CA 3.47Å; N139-K142 WeakPolarHBondContact O-CB 3.46Å; N139-K142 PolarHBondContact O-N 3.34Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.42Å; K142-R145 PolarHBondContact O-N 2.91Å; K142-I146 HydrophobicContact CG-CD1 4.09Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 2.93Å
143L87.3Confident81.5Confident93 Ų93116.3 Ų116.349%0.48757%0.574SS.*Hα-helixtrans-63.2-43.3176.9-66.1176.6000111.7N139 A140 R145 I146 A147N139-L143 PolarHBondContact O-N 3.45Å; N139-L143 VanDerWaalsContact O-N 3.1Å; A140-L143 PolarHBondContact O-N 2.9Å; L143-R145 PolarHBondContact O-N 2.69Å; L143-I146 PolarHBondContact O-N 2.82Å; L143-A147 PolarHBondContact O-N 3.06Å
144R87Confident82.7Confident188 Ų188113.5 Ų113.571%0.70957%0.569SS**Hα-helixtrans-58.3-46.5173.2-79.3-178133.3-178.1-3.9112.5A140 I146 A147 Q148A140-R144 PolarHBondContact O-N 3.43Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.45Å; R144-A147 PolarHBondContact O-N 3.17Å; R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 WeakPolarHBondContact O-CG 3.43Å; R144-Q148 PolarHBondContact O-N 2.93Å
145R90.6Very high84.2Confident184 Ų184114.5 Ų114.569%0.69458%0.578SS**Hα-helixtrans-62.1-38.1176.1-75.3178.7-179.1172.3-0.7112.6K141 K142 L143 K149K141-R145 WeakPolarHBondContact O-CG 3.49Å; K141-R145 PolarHBondContact O-N 3.46Å; K141-R145 VanDerWaalsContact O-N 3.12Å; K142-R145 PolarHBondContact O-N 2.91Å; L143-R145 PolarHBondContact O-N 2.69Å; R145-K149 VanDerWaalsContact O-CB 3.28Å; R145-K149 WeakPolarHBondContact O-CB 3.36Å; R145-K149 PolarHBondContact O-N 2.96Å
146I89.6Confident85.6Confident97 Ų97113.7 Ų113.750%0.49758%0.578SS.*Hα-helixtrans-66.3-43.6176.4-69.9165.1000110.6K142 L143 R144 K149 A150K142-I146 HydrophobicContact CG-CD1 4.09Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 2.93Å; L143-I146 PolarHBondContact O-N 2.82Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.45Å; I146-K149 PolarHBondContact O-N 2.99Å; I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 2.91Å
147A91Very high86.5Confident48 Ų48110.2 Ų110.240%0.39758%0.577SS.*Hα-helixtrans-62.2-49.8176.800000111.5L143 R144 K149 A150 E151L143-A147 PolarHBondContact O-N 3.06Å; R144-A147 PolarHBondContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 2.74Å; A147-A150 WeakPolarHBondContact O-CA 3.37Å; A147-A150 WeakPolarHBondContact O-CB 3.29Å; A147-A150 PolarHBondContact O-N 2.77Å; A147-E151 WeakPolarHBondContact O-CG 3.4Å; A147-E151 PolarHBondContact O-N 3.19Å
148Q93.5Very high87.6Confident106 Ų106107.7 Ų107.750%0.49557%0.57SS.*Hα-helixtrans-58-42.7175.6-72.8173.6-1500112.2R144 A150 E151 Q152R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 WeakPolarHBondContact O-CG 3.43Å; R144-Q148 PolarHBondContact O-N 2.93Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 3.4Å; Q148-E151 PolarHBondContact O-N 2.95Å; Q148-Q152 WeakPolarHBondContact O-CB 3.38Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 3.49Å
149K91.9Very high88.1Confident138 Ų138104.7 Ų104.760%0.655%0.55SS*.Hα-helixtrans-64.9-37.6176-173172.9-177.81720111.8R145 I146 A147 L153R145-K149 VanDerWaalsContact O-CB 3.28Å; R145-K149 WeakPolarHBondContact O-CB 3.36Å; R145-K149 PolarHBondContact O-N 2.96Å; I146-K149 PolarHBondContact O-N 2.99Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 2.74Å; K149-L153 HydrophobicContact CG-CD1 4.34Å; K149-L153 WeakPolarHBondContact O-CB 3.28Å; K149-L153 VanDerWaalsContact O-CG 3.25Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.12Å
150A89.5Confident88.5Confident57 Ų57102.9 Ų102.947%0.47154%0.544SS..Hα-helixtrans-66.2-41.8175.700000111.6I146 A147 Q148 L153 A154I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 2.91Å; A147-A150 WeakPolarHBondContact O-CA 3.37Å; A147-A150 WeakPolarHBondContact O-CB 3.29Å; A147-A150 PolarHBondContact O-N 2.77Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 3.4Å; A150-L153 PolarHBondContact O-N 2.77Å; A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 3.05Å
151E90.9Very high88.6Confident135 Ų135110 Ų11063%0.63156%0.563SS**Hα-helixtrans-62.7-45.5174.2-72.1169.7-17800111.8A147 Q148 L153 A154 A155A147-E151 WeakPolarHBondContact O-CG 3.4Å; A147-E151 PolarHBondContact O-N 3.19Å; Q148-E151 PolarHBondContact O-N 2.95Å; E151-L153 PolarHBondContact O-N 3.02Å; E151-A154 WeakPolarHBondContact O-CB 3.48Å; E151-A154 PolarHBondContact O-N 2.9Å; E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 3.31Å
152Q92.5Very high88.6Confident120 Ų120109.7 Ų109.756%0.56156%0.562SS**Hα-helixtrans-61.6-41.4175.5-73.5176.65.500112.5Q148 K156Q148-Q152 WeakPolarHBondContact O-CB 3.38Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 3.49Å; Q152-K156 VanDerWaalsContact O-CG 3.31Å; Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.33Å; Q152-K156 VanDerWaalsContact O-N 3.08Å
153L90.3Very high88.5Confident69 Ų69108.4 Ų108.436%0.36156%0.558SS.*Hα-helixtrans-67.9-37.3175.7-72.6175.1000111.7K149 A150 E151 K156 G157 V158K149-L153 HydrophobicContact CG-CD1 4.34Å; K149-L153 WeakPolarHBondContact O-CB 3.28Å; K149-L153 VanDerWaalsContact O-CG 3.25Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.12Å; A150-L153 PolarHBondContact O-N 2.77Å; E151-L153 PolarHBondContact O-N 3.02Å; L153-K156 CarbonylContact O-C 3.51Å; L153-K156 PolarHBondContact O-N 2.81Å; L153-G157 PolarHBondContact O-N 2.91Å; L153-V158 HydrophobicContact CB-CB 4.39Å; L153-V158 HydrophobicContact CD2-CB 4.16Å; L153-V158 HydrophobicContact CD2-CG1 4.33Å; L153-V158 PolarHBondContact O-N 3.31Å
154A88.2Confident88.4Confident70 Ų70109.1 Ų109.158%0.57956%0.557SS**Hα-helixtrans-65.1-43.5174.900000111.8A150 E151 K156 G157A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 3.05Å; E151-A154 WeakPolarHBondContact O-CB 3.48Å; E151-A154 PolarHBondContact O-N 2.9Å; A154-K156 VanDerWaalsContact C-N 3.25Å; A154-K156 PolarHBondContact O-N 3.02Å; A154-G157 WeakPolarHBondContact O-CA 3.22Å; A154-G157 PolarHBondContact O-N 2.97Å
155A91.1Very high88.3Confident91 Ų91108 Ų10875%0.75255%0.553SS**Hα-helixtrans-60.7-34.4173.700000112.3E151 G157E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 3.31Å; A155-G157 PolarHBondContact O-N 2.9Å
156K89.6Confident87.8Confident160 Ų160104.3 Ų104.370%0.69655%0.546SS*.THydrogen-bonded Turntrans-79.12.9172.6-68.4176.1179.6-175.90113.9Q152 L153 A154 V158Q152-K156 VanDerWaalsContact O-CG 3.31Å; Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.33Å; Q152-K156 VanDerWaalsContact O-N 3.08Å; L153-K156 CarbonylContact O-C 3.51Å; L153-K156 PolarHBondContact O-N 2.81Å; A154-K156 VanDerWaalsContact C-N 3.25Å; A154-K156 PolarHBondContact O-N 3.02Å; K156-V158 HydrophobicContact CB-CG2 4.16Å; K156-V158 PolarHBondContact O-N 3.48Å
157G87.4Confident87.4Confident59 Ų59106.1 Ų106.161%0.60856%0.557SS**THydrogen-bonded Turntrans6911.2-177.600000114.7L153 A154 A155 V159L153-G157 PolarHBondContact O-N 2.91Å; A154-G157 WeakPolarHBondContact O-CA 3.22Å; A154-G157 PolarHBondContact O-N 2.97Å; A155-G157 PolarHBondContact O-N 2.9Å; G157-V159 PolarHBondContact O-N 3.49Å
158V88.3Confident87Confident69 Ų69110.3 Ų110.342%0.41857%0.572SS.*  trans-85.295.5-178-176.30000109.9L153 K156L153-V158 HydrophobicContact CB-CB 4.39Å; L153-V158 HydrophobicContact CD2-CB 4.16Å; L153-V158 HydrophobicContact CD2-CG1 4.33Å; L153-V158 PolarHBondContact O-N 3.31Å; K156-V158 HydrophobicContact CB-CG2 4.16Å; K156-V158 PolarHBondContact O-N 3.48Å
159V84.2Confident86.4Confident49 Ų49113.1 Ų113.130%0.29758%0.578SS.*  trans-73.4132.3177.2-1800000111.2G157 Q163 K164G157-V159 PolarHBondContact O-N 3.49Å; V159-Q163 HydrophobicContact CG1-CB 3.26Å; V159-Q163 HydrophobicContact CG1-CG 4.36Å; V159-K164 HydrophobicContact CB-CG 4Å; V159-K164 HydrophobicContact CG1-CG 3.98Å; V159-K164 VanDerWaalsContact O-CE 3.27Å; V159-K164 WeakPolarHBondContact O-CE 3.26Å
160P85.6Confident85.7Confident81 Ų81117.1 Ų117.153%0.52659%0.589SS.*  trans-53.6146.1173.2-27.433.6000113.3K162 Q163 K164P160-K162 PolarHBondContact O-N 2.94Å; P160-Q163 PolarHBondContact O-N 2.96Å; P160-K164 PolarHBondContact O-N 3.03Å
161R83.3Confident84.6Confident187 Ų187119.8 Ų119.871%0.70660%0.602SS**Hα-helixtrans-51.1-34.6-179.1-171.7176.6-176.8170.92.2113.7R165R161-R165 WeakPolarHBondContact O-CB 3.29Å; R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.39Å
162K83.3Confident83.2Confident168 Ų168118.3 Ų118.373%0.7360%0.602SS**Hα-helixtrans-66-43.9177.8-169.7178.8-179.6-177.30112.1P160 R165 L166P160-K162 PolarHBondContact O-N 2.94Å; K162-R165 PolarHBondContact O-N 2.96Å; K162-L166 WeakPolarHBondContact O-CG 3.48Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.11Å
163Q83.9Confident81.6Confident107 Ų107118.6 Ų118.650%0.561%0.607SS.*Hα-helixtrans-70.3-41176.1-85.4174.8-14.500111.3V159 P160 R165 L166 L167V159-Q163 HydrophobicContact CG1-CB 3.26Å; V159-Q163 HydrophobicContact CG1-CG 4.36Å; P160-Q163 PolarHBondContact O-N 2.96Å; Q163-R165 VanDerWaalsContact C-N 3.27Å; Q163-R165 PolarHBondContact O-N 3.2Å; Q163-L166 WeakPolarHBondContact O-CB 3.37Å; Q163-L166 PolarHBondContact O-N 3.4Å; Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 2.87Å
164K84.6Confident80.1Confident108 Ų108124.5 Ų124.547%0.4763%0.63SS.*Hα-helixtrans-55.7-41.8171.7-70.5-172175.2-175.70112.1V159 P160 L166 L167 N168V159-K164 HydrophobicContact CB-CG 4Å; V159-K164 HydrophobicContact CG1-CG 3.98Å; V159-K164 VanDerWaalsContact O-CE 3.27Å; V159-K164 WeakPolarHBondContact O-CE 3.26Å; P160-K164 PolarHBondContact O-N 3.03Å; K164-L166 VanDerWaalsContact C-N 3.35Å; K164-L166 PolarHBondContact O-N 3.24Å; K164-L167 PolarHBondContact O-N 3.3Å; K164-N168 VanDerWaalsContact O-CB 3.31Å; K164-N168 WeakPolarHBondContact O-CB 3.4Å; K164-N168 PolarHBondContact O-N 3.42Å; K164-N168 PolarHBondContact O-ND2 3.45Å; K164-N168 PolarHBondContact O-OD1 3.04Å
165R85Confident78.5Confident164 Ų164127 Ų12762%0.61964%0.638SS**Hα-helixtrans-65.2-33.7174.4-78.8179.2173.6-178.3-1113.6R161 K162 Q163 R169R161-R165 WeakPolarHBondContact O-CB 3.29Å; R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.39Å; K162-R165 PolarHBondContact O-N 2.96Å; Q163-R165 VanDerWaalsContact C-N 3.27Å; Q163-R165 PolarHBondContact O-N 3.2Å; R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.17Å; R165-R169 VanDerWaalsContact O-N 3.1Å
166L80.9Confident76.9Confident107 Ų107128 Ų12856%0.5664%0.635SS**Hα-helixtrans-73.1-40176.6-72.6171.7000111.8K162 Q163 K164 R169K162-L166 WeakPolarHBondContact O-CG 3.48Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.11Å; Q163-L166 WeakPolarHBondContact O-CB 3.37Å; Q163-L166 PolarHBondContact O-N 3.4Å; K164-L166 VanDerWaalsContact C-N 3.35Å; K164-L166 PolarHBondContact O-N 3.24Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 3.15Å
167L81.3Confident75.2Confident136 Ų136129.7 Ų129.771%0.71264%0.642SS**Hα-helixtrans-65.9-40.4174.5-68.2171.4000111.6Q163 K164 R169Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 2.87Å; K164-L167 PolarHBondContact O-N 3.3Å; L167-R169 PolarHBondContact O-N 3.09Å
168N82Confident73.7Confident135 Ų135136.3 Ų136.372%0.72265%0.654SS**SBendtrans-77.5-8.6177.5-65.6-4.7000113.4K164 R170K164-N168 VanDerWaalsContact O-CB 3.31Å; K164-N168 WeakPolarHBondContact O-CB 3.4Å; K164-N168 PolarHBondContact O-N 3.42Å; K164-N168 PolarHBondContact O-ND2 3.45Å; K164-N168 PolarHBondContact O-OD1 3.04Å; N168-R170 PolarHBondContact O-N 3.29Å
169R80Confident72.3Confident166 Ų166137.2 Ų137.263%0.62667%0.669SS**SBendtrans-74.5112.8175177.7179.6159.5168.9-3.2106.9R165 L166 L167R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.17Å; R165-R169 VanDerWaalsContact O-N 3.1Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 3.09Å
170R77.3Confident71.1Confident221 Ų221141.4 Ų141.483%0.83470%0.695SS**  trans-49.4128.5171.1-67.3-178.5178.3174.9-1.7108.8N168 V172N168-R170 PolarHBondContact O-N 3.29Å; R170-V172 PolarHBondContact O-N 3.21Å
171P66.6Low69.6Low113 Ų113143 Ų14373%0.73470%0.703SS**  trans-56.4119.6171.323.8-30.6000106.6D173P171-D173 PolarHBondContact O-N 2.96Å
172V61.9Low68.6Low104 Ų104140.4 Ų140.463%0.6370%0.699SS**  trans-73.4112.5167.6175.50000104R170 K174R170-V172 PolarHBondContact O-N 3.21Å; V172-K174 PolarHBondContact O-N 2.99Å
173D58.6Low67.7Low126 Ų126135.9 Ų135.967%0.67469%0.693SS**  trans-54.3104.7171.3-70.6-32.8000107.7P171 T175P171-D173 PolarHBondContact O-N 2.96Å; D173-T175 HydrophobicContact CB-CG2 3.94Å; D173-T175 PolarHBondContact O-N 3.49Å
174K60.2Low66.6Low194 Ų194136.4 Ų136.484%0.84370%0.699SS**  trans-76.865.4170.5-71.7-179.6-179.5176.10107.3V172 V176V172-K174 PolarHBondContact O-N 2.99Å; K174-V176 PolarHBondContact O-N 3.1Å
175T53.8Low65.7Low121 Ų121138.6 Ų138.674%0.74272%0.716SS**  trans-78.216.4172.147.70000112.1D173 K177D173-T175 HydrophobicContact CB-CG2 3.94Å; D173-T175 PolarHBondContact O-N 3.49Å; T175-K177 PolarHBondContact O-N 3.35Å
176V56.3Low65Low114 Ų114133.6 Ų133.669%0.69170%0.701SS**  trans-84.896.5167.1-1710000106.6K174 K178K174-V176 PolarHBondContact O-N 3.1Å; V176-K178 PolarHBondContact O-N 3.25Å; V176-K178 VanDerWaalsContact O-N 3.1Å
177K55.9Low64.4Low194 Ų194133.9 Ų133.984%0.84371%0.71SS**  trans-47.7119.8163.9-65.4-178.2-179-179.90106.6T175 A179T175-K177 PolarHBondContact O-N 3.35Å; K177-A179 PolarHBondContact O-N 2.91Å
178K54.2Low64Low198 Ų198134 Ų13486%0.86171%0.711SS**  trans-57.7115.5167.9-74.7179.9177.2-179.70105.2V176 V180V176-K178 PolarHBondContact O-N 3.25Å; V176-K178 VanDerWaalsContact O-N 3.1Å; K178-V180 PolarHBondContact O-N 2.68Å
179A59.4Low63.3Low89 Ų89133.3 Ų133.374%0.73670%0.698SS**  trans-52.6126.6174.800000107.5K177 T181K177-A179 PolarHBondContact O-N 2.91Å; A179-T181 PolarHBondContact O-N 3.12Å
180V59.3Low62.8Low137 Ų137132.6 Ų132.683%0.8371%0.707SS**  trans-60.6122173.1178.10000105.5K178 E182K178-V180 PolarHBondContact O-N 2.68Å; V180-E182 PolarHBondContact O-N 2.73Å
181T54.6Low62.4Low113 Ų113132.8 Ų132.869%0.69371%0.709SS**  trans-68.2114.9179.546.40000108.6A179A179-T181 PolarHBondContact O-N 3.12Å
182E62.3Low62.3Low133 Ų133135.9 Ų135.962%0.62171%0.708SS**  trans-66.2137.5164.3-66.4178.7-162.200108.8V180 N186V180-E182 PolarHBondContact O-N 2.73Å; E182-N186 PolarHBondContact OE2-ND2 3.03Å
183A63.3Low62.9Low74 Ų74135.9 Ų135.961%0.61270%0.704SS**  trans-63.9146178.900000110.1N185 N186A183-N185 PolarHBondContact O-N 3.29Å; A183-N186 PolarHBondContact O-N 3.5Å
184N60.2Low63.3Low117 Ų117135.8 Ų135.863%0.62670%0.702SS**THydrogen-bonded Turntrans-60.4-7.9-178.6-87.1-25.3000114.7R189N184-R189 PolarHBondContact OD1-NH1 3.46Å
185N66.7Low64.1Low154 Ų154136.9 Ų136.982%0.82470%0.701SS**THydrogen-bonded Turntrans-104.722.1-177.6-59.3-11.2000112.8A183 P187A183-N185 PolarHBondContact O-N 3.29Å; N185-P187 WeakPolarHBondContact O-CD 3.32Å
186N69.4Low65Low59 Ų59132.9 Ų132.932%0.31669%0.685SS.*  trans-78.4119.2177-157.214.8000109.9E182 A183 D188 R189E182-N186 PolarHBondContact OE2-ND2 3.03Å; A183-N186 PolarHBondContact O-N 3.5Å; N186-D188 VanDerWaalsContact C-N 3.26Å; N186-D188 PolarHBondContact O-N 3.18Å; N186-R189 WeakPolarHBondContact O-CB 3.5Å; N186-R189 PolarHBondContact O-N 3.28Å
187P70.1Confident65.4Low113 Ų113137 Ų13773%0.73470%0.696SS**THydrogen-bonded Turntrans-70.8-19.3-178.928.4-35.7000113.7N185 R189N185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-R189 PolarHBondContact O-N 3.3Å
188D72.6Confident65.9Low140 Ų140135.6 Ų135.675%0.74969%0.693SS**THydrogen-bonded Turntrans-81.77.4178.4-60.6-28.4000113.2N186N186-D188 VanDerWaalsContact C-N 3.26Å; N186-D188 PolarHBondContact O-N 3.18Å
189R66.1Low66.2Low119 Ų119131.6 Ų131.645%0.44969%0.687SS.*SBendtrans-82.8123.8-179-175177179.2172.21.3110.4N184 N186 P187 Y191N184-R189 PolarHBondContact OD1-NH1 3.46Å; N186-R189 WeakPolarHBondContact O-CB 3.5Å; N186-R189 PolarHBondContact O-N 3.28Å; P187-R189 PolarHBondContact O-N 3.3Å; R189-Y191 PolarHBondContact O-N 3.18Å
190D70.8Confident66Low151 Ų151136.2 Ų136.281%0.80769%0.69SS**PPolyproline II helixtrans-54.2130.2173-67.6-30.1000111.3Y192D190-Y192 PolarHBondContact O-N 2.73Å
191Y68.1Low65.7Low225 Ų225134.9 Ų134.988%0.88268%0.682SS**PPolyproline II helixtrans-65.2129.4178.1-79.2-92.4000110.1R189 D193R189-Y191 PolarHBondContact O-N 3.18Å; Y191-D193 PolarHBondContact O-N 3.12Å; Y191-D193 VanDerWaalsContact O-N 3.11Å
192Y64.4Low65.7Low179 Ų179135.1 Ų135.170%0.70269%0.688SS**  trans-69.9106.3174.7-178.2-104000109.6D190 I194D190-Y192 PolarHBondContact O-N 2.73Å; Y192-I194 HydrophobicContact CD1-CG2 3.84Å; Y192-I194 HydrophobicContact CE1-CG2 3.96Å; Y192-I194 PolarHBondContact O-N 3.08Å; Y192-I194 VanDerWaalsContact O-N 3.1Å
193D75.1Confident65.4Low103 Ų103130.6 Ų130.655%0.55167%0.674SS**  trans-72.8100.8175.9-175.59.2000110.4Y191 W195 G196Y191-D193 PolarHBondContact O-N 3.12Å; Y191-D193 VanDerWaalsContact O-N 3.11Å; D193-W195 PolarHBondContact O-N 3.16Å; D193-W195 PolarHBondContact OD1-N 2.88Å; D193-G196 PolarHBondContact O-N 3.17Å; D193-G196 PolarHBondContact OD1-N 2.94Å; D193-G196 PolarHBondContact OD2-N 3.29Å
194I67.1Low65.4Low124 Ų124131.1 Ų131.164%0.63667%0.666SS**THydrogen-bonded Turntrans-62.9-14.7176.842.8163.5000113.7Y192Y192-I194 HydrophobicContact CD1-CG2 3.84Å; Y192-I194 HydrophobicContact CE1-CG2 3.96Å; Y192-I194 PolarHBondContact O-N 3.08Å; Y192-I194 VanDerWaalsContact O-N 3.1Å
195W76.3Confident65.8Low217 Ų217130.3 Ų130.382%0.82267%0.668SS**THydrogen-bonded Turntrans-110.1-1.3-179.1-55.8104.4000113.7D193D193-W195 PolarHBondContact O-N 3.16Å; D193-W195 PolarHBondContact OD1-N 2.88Å
196G72.6Confident65.9Low38 Ų38130.4 Ų130.439%0.39266%0.657SS.*  trans-68.3133.2179.500000112.7D193 E198D193-G196 PolarHBondContact O-N 3.17Å; D193-G196 PolarHBondContact OD1-N 2.94Å; D193-G196 PolarHBondContact OD2-N 3.29Å; G196-E198 PolarHBondContact O-N 2.96Å; G196-E198 VanDerWaalsContact O-N 3.15Å
197Q64.8Low66Low200 Ų200132.1 Ų132.194%0.93566%0.659SS**  trans-82.632.8175.1-64-173.91.200112.8
198E67.5Low66.2Low165 Ų165129.5 Ų129.577%0.77164%0.639SS**  trans-73141.1176.7-66.8-152.1161.400110.9G196 K200G196-E198 PolarHBondContact O-N 2.96Å; G196-E198 VanDerWaalsContact O-N 3.15Å; E198-K200 PolarHBondContact O-N 3.1Å
199P59.3Low66Low113 Ų113127.1 Ų127.173%0.73462%0.623SS**  trans-61.1110.6177.925.5-32.9000108.6V201P199-V201 PolarHBondContact O-N 2.8Å
200K55.3Low66.5Low186 Ų186127.7 Ų127.781%0.80963%0.631SS**  trans-50.8101.1175.2-65.6178.6-178.2179.80109.1E198 S202E198-K200 PolarHBondContact O-N 3.1Å; K200-S202 PolarHBondContact O-N 3.35Å
201V53.6Low66.8Low110 Ų110123.2 Ų123.267%0.66761%0.609SS**  trans-58.4124.5176.6-177.60000106.4P199 A203 D204P199-V201 PolarHBondContact O-N 2.8Å; V201-A203 CarbonylContact O-C 3.27Å; V201-A203 VanDerWaalsContact O-C 3.27Å; V201-A203 PolarHBondContact O-N 2.98Å; V201-D204 PolarHBondContact O-N 3.36Å
202S54.6Low67.1Low117 Ų117115.6 Ų115.682%0.81860%0.599SS**SBendtrans-60.73.2-170.662.80000115.8K200K200-S202 PolarHBondContact O-N 3.35Å
203A56.4Low67.6Low39 Ų39114.2 Ų114.232%0.32260%0.596SS.*SBendtrans-122.590.9164.500000105.9V201 P205 L208V201-A203 CarbonylContact O-C 3.27Å; V201-A203 VanDerWaalsContact O-C 3.27Å; V201-A203 PolarHBondContact O-N 2.98Å; A203-P205 WeakPolarHBondContact O-CD 3.46Å; A203-L208 HydrophobicContact CB-CD1 4.35Å
204D61.5Low67.6Low84 Ų84116.7 Ų116.745%0.44960%0.602SS.*  trans-45.8114.5164.9-95.6-24.7000106.8V201 W206 Y207 L208V201-D204 PolarHBondContact O-N 3.36Å; D204-W206 PolarHBondContact O-N 2.91Å; D204-Y207 PolarHBondContact O-N 2.87Å; D204-L208 PolarHBondContact O-N 3.17Å
205P69.8Low67.9Low101 Ų101116.1 Ų116.166%0.65660%0.6SS**Hα-helixtrans-53-32.9177.1-26.735.9000110A203 L208 Q209A203-P205 WeakPolarHBondContact O-CD 3.46Å; P205-L208 PolarHBondContact O-N 2.88Å; P205-Q209 WeakPolarHBondContact O-CB 3.49Å; P205-Q209 PolarHBondContact O-N 3.05Å
206W67.9Low68.2Low156 Ų156112.5 Ų112.559%0.59160%0.601SS**Hα-helixtrans-64.4-45.6174.8-166.786.2000114.5D204 L208 Q209 Q210D204-W206 PolarHBondContact O-N 2.91Å; W206-L208 VanDerWaalsContact C-N 3.3Å; W206-L208 PolarHBondContact O-N 3.42Å; W206-Q209 PolarHBondContact O-N 2.83Å; W206-Q210 WeakPolarHBondContact O-CB 3.39Å; W206-Q210 PolarHBondContact O-N 3.47Å
207Y72.4Confident68.7Low95 Ų95120 Ų12037%0.37362%0.623SS.*Hα-helixtrans-61.6-41.3175.9175.7-97.2000111.2D204 T211 K213 L215D204-Y207 PolarHBondContact O-N 2.87Å; Y207-T211 HydrophobicContact CD2-CG2 3.94Å; Y207-T211 HydrophobicContact CE2-CG2 3.73Å; Y207-T211 WeakPolarHBondContact O-CB 3.29Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 3.45Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; Y207-K213 WeakPolarHBondContact CE1-O 3.29Å; Y207-L215 HydrophobicContact CD1-CD1 3.97Å; Y207-L215 HydrophobicContact CE1-CD1 3.86Å; Y207-L215 HydrophobicContact CE1-CG 4.15Å
208L73.3Confident69.8Low58 Ų58117.9 Ų117.930%0.30461%0.607SS.*Hα-helixtrans-71.1-35.9179-154.2155000111.2A203 D204 P205 W206 G212 K214A203-L208 HydrophobicContact CB-CD1 4.35Å; D204-L208 PolarHBondContact O-N 3.17Å; P205-L208 PolarHBondContact O-N 2.88Å; W206-L208 VanDerWaalsContact C-N 3.3Å; W206-L208 PolarHBondContact O-N 3.42Å; L208-G212 WeakPolarHBondContact O-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.79Å; L208-K214 HydrophobicContact CD1-CD 4.13Å; L208-K214 HydrophobicContact CD1-CG 3.68Å; L208-K214 HydrophobicContact CG-CG 4.13Å
209Q69.9Low71Confident90 Ų90113.9 Ų113.942%0.42160%0.595SS.*Hα-helixtrans-66.5-43.3174.6-174.8177.818.400111.8P205 W206P205-Q209 WeakPolarHBondContact O-CB 3.49Å; P205-Q209 PolarHBondContact O-N 3.05Å; W206-Q209 PolarHBondContact O-N 2.83Å
210Q76.4Confident72.5Confident131 Ų131116.3 Ų116.361%0.61260%0.596SS**Hα-helixtrans-82.8-40.2-176-161.2-177.123.300113W206W206-Q210 WeakPolarHBondContact O-CB 3.39Å; W206-Q210 PolarHBondContact O-N 3.47Å
211T75.5Confident74.1Confident57 Ų57115.7 Ų115.735%0.3559%0.594SS.*Hα-helixtrans-94.8-16.2-176.2700000113.6Y207 K213Y207-T211 HydrophobicContact CD2-CG2 3.94Å; Y207-T211 HydrophobicContact CE2-CG2 3.73Å; Y207-T211 WeakPolarHBondContact O-CB 3.29Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 3.45Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; T211-K213 PolarHBondContact O-N 3.33Å; T211-K213 VanDerWaalsContact O-N 3.15Å; T211-K213 PolarHBondContact OG1-N 3.38Å
212G74.7Confident75.8Confident64 Ų64115.2 Ų115.266%0.6659%0.587SS**  trans65.58.9-174.600000114.1L208L208-G212 WeakPolarHBondContact O-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.79Å
213K75.4Confident77.4Confident150 Ų150114.7 Ų114.765%0.65258%0.575SS**  trans-122.2128.5-171.5-68.6173.3-173.4173.70110.4Y207 T211Y207-K213 WeakPolarHBondContact CE1-O 3.29Å; T211-K213 PolarHBondContact O-N 3.33Å; T211-K213 VanDerWaalsContact O-N 3.15Å; T211-K213 PolarHBondContact OG1-N 3.38Å
214K75.6Confident79Confident155 Ų155119.5 Ų119.567%0.67459%0.591SS**PPolyproline II helixtrans-77141168.7-55.5-160.4177.2-173.10109L208 V216L208-K214 HydrophobicContact CD1-CD 4.13Å; L208-K214 HydrophobicContact CD1-CG 3.68Å; L208-K214 HydrophobicContact CG-CG 4.13Å; K214-V216 PolarHBondContact O-N 3.21Å
215L73.6Confident80.3Confident113 Ų113124.2 Ų124.259%0.59261%0.607SS**PPolyproline II helixtrans-57130.1166.2-77.8114.3000109.1Y207 K217Y207-L215 HydrophobicContact CD1-CD1 3.97Å; Y207-L215 HydrophobicContact CE1-CD1 3.86Å; Y207-L215 HydrophobicContact CE1-CG 4.15Å; L215-K217 PolarHBondContact O-N 2.91Å
216V82.1Confident81.2Confident140 Ų140122.6 Ų122.685%0.84860%0.597SS**PPolyproline II helixtrans-69.1124.7179.9179.20000108.2K214 R218K214-V216 PolarHBondContact O-N 3.21Å; V216-R218 PolarHBondContact O-N 3.33Å
217K83.6Confident82.2Confident197 Ų197115.7 Ų115.786%0.85757%0.572SS**PPolyproline II helixtrans-58.5127.2174.5-68.8-172.1176.3-172.50109.6L215L215-K217 PolarHBondContact O-N 2.91Å
218R87.2Confident83.1Confident155 Ų155116.4 Ų116.459%0.58559%0.586SS**PPolyproline II helixtrans-64.8134175.5-174.5173.7170.8140-13.3109.1V216 L222 N223V216-R218 PolarHBondContact O-N 3.33Å; R218-L222 HydrophobicContact CG-CB 4.04Å; R218-L222 PolarHBondContact NE-O 3.49Å; R218-L222 PolarHBondContact NH2-O 2.78Å; R218-N223 WeakPolarHBondContact CD-OD1 3.3Å; R218-N223 PolarHBondContact NE-OD1 2.94Å
219P92.6Very high83.9Confident81 Ų81115.1 Ų115.153%0.52658%0.579SS.*PPolyproline II helixtrans-63.7141.7177.723.6-31000110.9K221 L222P219-K221 VanDerWaalsContact C-N 3.26Å; P219-K221 PolarHBondContact O-N 2.75Å; P219-L222 HydrophobicContact CG-CB 4.29Å; P219-L222 HydrophobicContact CG-CD1 4.24Å; P219-L222 WeakPolarHBondContact O-CB 3.27Å; P219-L222 PolarHBondContact O-N 3.43Å
220E90.8Very high85Confident163 Ų163114.4 Ų114.476%0.76258%0.583SS**G310 helixtrans-55.8-38.6-174.7-66.9173.7177.300113L222 N223E220-L222 PolarHBondContact O-N 3.35Å; E220-N223 WeakPolarHBondContact O-CB 3.31Å; E220-N223 PolarHBondContact O-N 2.64Å
221K89.8Confident85.7Confident173 Ų173110.7 Ų110.775%0.75257%0.574SS**G310 helixtrans-57.4-24.7177.3-66.1-173.1176.2-174.90114.3P219 N223P219-K221 VanDerWaalsContact C-N 3.26Å; P219-K221 PolarHBondContact O-N 2.75Å; K221-N223 VanDerWaalsContact C-N 3.27Å
222L88.2Confident86.4Confident100 Ų100111.3 Ų111.352%0.52458%0.578SS.*G310 helixtrans-84.8-5.4-179.9-132.3154.9000112.2R218 P219 E220R218-L222 HydrophobicContact CG-CB 4.04Å; R218-L222 PolarHBondContact NE-O 3.49Å; R218-L222 PolarHBondContact NH2-O 2.78Å; P219-L222 HydrophobicContact CG-CB 4.29Å; P219-L222 HydrophobicContact CG-CD1 4.24Å; P219-L222 WeakPolarHBondContact O-CB 3.27Å; P219-L222 PolarHBondContact O-N 3.43Å; E220-L222 PolarHBondContact O-N 3.35Å
223N88.9Confident87Confident106 Ų106111.6 Ų111.657%0.56756%0.562SS**THydrogen-bonded Turntrans-97.2-19.6172.1-59.3-18.9000111.6R218 E220 K221 K225R218-N223 WeakPolarHBondContact CD-OD1 3.3Å; R218-N223 PolarHBondContact NE-OD1 2.94Å; E220-N223 WeakPolarHBondContact O-CB 3.31Å; E220-N223 PolarHBondContact O-N 2.64Å; K221-N223 VanDerWaalsContact C-N 3.27Å; N223-K225 PolarHBondContact O-N 2.79Å
224E89.8Confident87.7Confident140 Ų140111.1 Ų111.165%0.65457%0.571SS**SBendtrans-67.1127.1175.2-66175.7-163.900110.8
225K89.5Confident88.4Confident184 Ų184107.7 Ų107.780%0.856%0.56SS**  trans-73.9140.2173.9-66.3-180-177.5174.80109.8N223 S227N223-K225 PolarHBondContact O-N 2.79Å; K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 2.72Å
226P89.1Confident89.3Confident66 Ų66104.4 Ų104.443%0.42955%0.548SS..SBendtrans-71-20.4-176.428.8-36.3000114.1N440 L441P226-N440 HydrophobicContact CB-CB 4.31Å; P226-L441 HydrophobicContact CG-CD1 3.72Å; P226-L441 HydrophobicContact CG-CG 4.5Å
227S88.6Confident89.9Confident11 Ų11102.2 Ų102.28%0.07754%0.537CS..  trans-143158178.355.50000110.7K225 R439K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 2.72Å; S227-R439 WeakPolarHBondContact CB-O 3.44Å; S227-R439 VanDerWaalsContact OG-C 3.31Å; S227-R439 WeakPolarHBondContact OG-CA 3.38Å; S227-R439 WeakPolarHBondContact OG-CB 3.48Å; S227-R439 PolarHBondContact OG-O 3.24Å
228V91.1Very high90.3Very high110 Ų11093 Ų9367%0.66750%0.498SS*.  trans-91-13.6177.9-178.80000111.9K391V228-K391 HydrophobicContact CG2-CB 4.06Å; V228-K391 HydrophobicContact CG2-CD 4.47Å
229L90.5Very high90.5Very high31 Ų3187.1 Ų87.116%0.16249%0.486CS..SBendtrans-60.3144.2-177.1-66.5175.5000112.4V392 K438 R439L229-V392 WeakPolarHBondContact CD1-O 3.27Å; L229-V392 HydrophobicContact CD2-CG1 3.82Å; L229-K438 HydrophobicContact CD1-CD 3.98Å; L229-K438 HydrophobicContact CD1-CG 3.68Å; L229-R439 HydrophobicContact CB-CG 4.05Å
230P92Very high90.4Very high76 Ų7685.8 Ų85.849%0.49448%0.479SS..  trans-63.5156174.829.5-35.2000110.9V232 E233 R439P230-V232 PolarHBondContact O-N 2.82Å; P230-E233 HydrophobicContact CG-CG 4.42Å; P230-R439 WeakPolarHBondContact O-CD 3.01Å
231A90.3Very high90.4Very high52 Ų5280.4 Ų80.443%0.4345%0.451SS..SBendtrans-67-29.8179.200000112.6S435A231-S435 PolarHBondContact O-OG 3.4Å
232V90.1Very high90.5Very high70 Ų7078.4 Ų78.442%0.42445%0.449SS..SBendtrans-125.8119.9-178.5-176.40000107P230P230-V232 PolarHBondContact O-N 2.82Å
233E87.8Confident90.8Very high71 Ų7174.5 Ų74.533%0.33243%0.43SS..PPolyproline II helixtrans-87.7128.8172.7-63-175.1167.700107.6P230 K438P230-E233 HydrophobicContact CG-CG 4.42Å; E233-K438 VanDerWaalsContact OE1-CD 3.26Å; E233-K438 WeakPolarHBondContact OE1-CD 3.34Å; E233-K438 WeakPolarHBondContact OE1-CE 3.27Å; E233-K438 IonicContact OE1-NZ 3.86Å; E233-K438 PolarHBondContact OE1-NZ 3.13Å; E233-K438 IonicContact OE2-NZ 2.64Å; E233-K438 PolarHBondContact OE2-NZ 2.77Å
234V90.3Very high91.1Very high139 Ų13974.2 Ų74.284%0.84243%0.428SS*.PPolyproline II helixtrans-88.4129.7175.7-176.90000106.7
235I90.3Very high91.3Very high84 Ų8474 Ų7443%0.43143%0.425SS..PPolyproline II helixtrans-69.6158.6177.5-144.2164.1000110
236A93Very high91.7Very high43 Ų4372.1 Ų72.136%0.35542%0.418SS..PPolyproline II helixtrans-64.1154.4176.600000111.6G238 G239 L251A236-G238 PolarHBondContact O-N 2.95Å; A236-G239 PolarHBondContact O-N 3.11Å; A236-L251 HydrophobicContact CB-CD1 3.53Å
237P93.7Very high92Very high95 Ų9570.3 Ų70.362%0.61741%0.407SS*.G310 helixtrans-58.5-24.2-173.122.2-33.9000114.2G239 S240P237-G239 PolarHBondContact O-N 2.9Å; P237-S240 VanDerWaalsContact O-CB 3.27Å; P237-S240 WeakPolarHBondContact O-CB 3.5Å; P237-S240 PolarHBondContact O-N 3.44Å; P237-S240 PolarHBondContact O-OG 2.97Å
238G93.3Very high92.4Very high2 Ų270.2 Ų70.22%0.02141%0.405CS..G310 helixtrans-61.8-18.4174.300000114.7A236 S240 S247A236-G238 PolarHBondContact O-N 2.95Å; G238-S240 VanDerWaalsContact C-N 3.29Å; G238-S247 WeakPolarHBondContact CA-O 3.37Å
239G91.2Very high92.6Very high33 Ų3369.9 Ų69.934%0.3440%0.396SS..G310 helixtrans-907.6175.900000113.1A236 P237A236-G239 PolarHBondContact O-N 3.11Å; P237-G239 PolarHBondContact O-N 2.9Å
240S90.9Very high92.9Very high53 Ų5371 Ų7137%0.37141%0.41SS..SBendtrans-71.4160.7171.165.40000110.8P237 G238 N242 P243P237-S240 VanDerWaalsContact O-CB 3.27Å; P237-S240 WeakPolarHBondContact O-CB 3.5Å; P237-S240 PolarHBondContact O-N 3.44Å; P237-S240 PolarHBondContact O-OG 2.97Å; G238-S240 VanDerWaalsContact C-N 3.29Å; S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact O-N 3.18Å; S240-P243 WeakPolarHBondContact O-CD 3.44Å; S240-P243 VanDerWaalsContact OG-CA 3.32Å; S240-P243 WeakPolarHBondContact OG-CA 3.35Å; S240-P243 WeakPolarHBondContact OG-CB 3.23Å
241Y90.3Very high93.1Very high49 Ų4967.6 Ų67.619%0.19239%0.387CS..SBendtrans-62.3-34.1180157.6-106.3000113.6A416 G417 S418 L419 L422Y241-A416 HydrophobicContact CE2-CB 3.86Å; Y241-A416 WeakPolarHBondContact CE2-O 3.21Å; Y241-A416 PolarHBondContact OH-O 2.88Å; Y241-G417 PolarHBondContact OH-O 3.15Å; Y241-S418 WeakPolarHBondContact OH-CA 3.41Å; Y241-S418 PolarHBondContact OH-N 2.75Å; Y241-L419 HydrophobicContact CD1-CD2 3.4Å; Y241-L419 VanDerWaalsContact CD1-CD2 3.4Å; Y241-L419 HydrophobicContact CD1-CG 3.89Å; Y241-L419 HydrophobicContact CD2-CD2 4.16Å; Y241-L419 HydrophobicContact CE1-CD2 3.8Å; Y241-L419 HydrophobicContact CE1-CG 3.77Å; Y241-L419 HydrophobicContact CE2-CD2 4.46Å; Y241-L419 HydrophobicContact CG-CD2 3.63Å; Y241-L419 HydrophobicContact CG-CG 4.49Å; Y241-L419 VanDerWaalsContact CZ-N 3.31Å; Y241-L419 PolarHBondContact OH-N 3.25Å; Y241-L422 HydrophobicContact CD2-CB 3.86Å; Y241-L422 HydrophobicContact CD2-CD1 3.25Å; Y241-L422 HydrophobicContact CD2-CG 4.1Å; Y241-L422 HydrophobicContact CE2-CB 4.08Å; Y241-L422 HydrophobicContact CE2-CD1 4.28Å; Y241-L422 HydrophobicContact CG-CD1 3.7Å
242N91.8Very high93.3Very high131 Ų13167 Ų6770%0.70138%0.377SS*.SBendtrans-132.377.2176.4-174.724.4000109S240S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact O-N 3.18Å
243P94.3Very high93.6Very high19 Ų1969 Ų6912%0.12338%0.382CS..  trans-80.2156.5-17432.1-31.9000111.8S240 H248 L415S240-P243 WeakPolarHBondContact O-CD 3.44Å; S240-P243 VanDerWaalsContact OG-CA 3.32Å; S240-P243 WeakPolarHBondContact OG-CA 3.35Å; S240-P243 WeakPolarHBondContact OG-CB 3.23Å; P243-H248 HydrophobicContact CB-CB 4.05Å; P243-H248 HydrophobicContact CG-CB 3.76Å; P243-L415 HydrophobicContact CG-CD1 4.45Å; P243-L415 HydrophobicContact CG-CD2 3.94Å
244D95.3Very high94Very high100 Ų10070.6 Ų70.654%0.53539%0.389SS..  trans-66.5144.1165.1176.848.5000109.9F246 S247 H248D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 3.03Å; D244-S247 PolarHBondContact N-OG 3.06Å; D244-S247 PolarHBondContact O-N 3.13Å; D244-S247 PolarHBondContact O-OG 3.08Å; D244-H248 PolarHBondContact O-N 3.42Å
245F94.6Very high94.3Very high134 Ų13464.9 Ų64.959%0.58836%0.356SS*.Hα-helixtrans-53.8-46.6-174176.6-97.7000112.1S247 H248 Q249F245-S247 PolarHBondContact O-N 2.91Å; F245-H248 PolarHBondContact O-N 3.5Å; F245-Q249 WeakPolarHBondContact O-CB 3.35Å; F245-Q249 PolarHBondContact O-N 3.28Å
246F97.1Very high94.6Very high146 Ų14666.6 Ų66.664%0.6436%0.362SS*.Hα-helixtrans-66-39.4-179.5-63.9-71.7000112.2D244 A250D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 3.03Å; F246-A250 WeakPolarHBondContact O-CB 3.22Å; F246-A250 PolarHBondContact O-N 3.46Å
247S96.3Very high94.8Very high28 Ų2869.2 Ų69.220%0.19637%0.367CS..Hα-helixtrans-67.2-38.5178.875.40000112.6G238 D244 F245 L251G238-S247 WeakPolarHBondContact CA-O 3.37Å; D244-S247 PolarHBondContact N-OG 3.06Å; D244-S247 PolarHBondContact O-N 3.13Å; D244-S247 PolarHBondContact O-OG 3.08Å; F245-S247 PolarHBondContact O-N 2.91Å; S247-L251 PolarHBondContact O-N 3.17Å
248H95.4Very high94.9Very high9 Ų967.4 Ų67.44%0.04235%0.354CS..Hα-helixtrans-67-48176.4179.9-112.1000110.9P243 D244 F245 A250 L251 L252 Q410P243-H248 HydrophobicContact CB-CB 4.05Å; P243-H248 HydrophobicContact CG-CB 3.76Å; D244-H248 PolarHBondContact O-N 3.42Å; F245-H248 PolarHBondContact O-N 3.5Å; H248-A250 VanDerWaalsContact C-N 3.32Å; H248-A250 PolarHBondContact O-N 3.32Å; H248-L251 PolarHBondContact O-N 2.98Å; H248-L252 WeakPolarHBondContact CE1-CD1 3.41Å; H248-L252 PolarHBondContact O-N 3.33Å; H248-Q410 PolarHBondContact NE2-O 2.88Å
249Q96.5Very high95Very high102 Ų10271.7 Ų71.748%0.47737%0.374SS..Hα-helixtrans-62.8-38.3178.6-168.6176.71500112.1F245 L252 Q253F245-Q249 WeakPolarHBondContact O-CB 3.35Å; F245-Q249 PolarHBondContact O-N 3.28Å; Q249-L252 PolarHBondContact O-N 2.77Å; Q249-Q253 VanDerWaalsContact O-CB 3.29Å; Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 PolarHBondContact O-N 3.37Å
250A96.6Very high95.4Very high55 Ų5572.3 Ų72.346%0.45537%0.371SS..Hα-helixtrans-62.5-44176.200000112.1F246 H248 Q253 E254F246-A250 WeakPolarHBondContact O-CB 3.22Å; F246-A250 PolarHBondContact O-N 3.46Å; H248-A250 VanDerWaalsContact C-N 3.32Å; H248-A250 PolarHBondContact O-N 3.32Å; A250-Q253 PolarHBondContact O-N 2.97Å; A250-E254 PolarHBondContact O-N 3.35Å
251L95.4Very high95.7Very high5 Ų575.3 Ų75.33%0.02638%0.379CS..Hα-helixtrans-66.5-43176.9-171.497.4000111.6A236 S247 H248 Q253 E254 A255 V409A236-L251 HydrophobicContact CB-CD1 3.53Å; S247-L251 PolarHBondContact O-N 3.17Å; H248-L251 PolarHBondContact O-N 2.98Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.48Å; L251-E254 WeakPolarHBondContact O-CB 3.5Å; L251-E254 PolarHBondContact O-N 3.37Å; L251-A255 PolarHBondContact O-N 3.28Å; L251-V409 HydrophobicContact CD2-CB 3.95Å; L251-V409 HydrophobicContact CD2-CG1 3.57Å; L251-V409 HydrophobicContact CD2-CG2 3.31Å; L251-V409 HydrophobicContact CG-CG1 4.44Å; L251-V409 HydrophobicContact CG-CG2 3.78Å
252L96.1Very high96Very high40 Ų4075.8 Ų75.821%0.20938%0.382CS..Hα-helixtrans-60.4-40173.5-83.3177.5000111.8H248 Q249 A255 H256 V409 L411H248-L252 WeakPolarHBondContact CE1-CD1 3.41Å; H248-L252 PolarHBondContact O-N 3.33Å; Q249-L252 PolarHBondContact O-N 2.77Å; L252-A255 PolarHBondContact O-N 3.43Å; L252-H256 WeakPolarHBondContact O-CB 3.27Å; L252-H256 PolarHBondContact O-N 3.48Å; L252-V409 HydrophobicContact CD2-CG1 3.54Å; L252-V409 HydrophobicContact CG-CG1 3.98Å; L252-L411 HydrophobicContact CD2-CD2 4.18Å
253Q96.3Very high96.2Very high112 Ų11275.7 Ų75.752%0.52338%0.375SS..Hα-helixtrans-64.5-41.2177.1-171.9-1775.400111.2Q249 A250 L251 H256 Q257Q249-Q253 VanDerWaalsContact O-CB 3.29Å; Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 PolarHBondContact O-N 3.37Å; A250-Q253 PolarHBondContact O-N 2.97Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.48Å; Q253-H256 PolarHBondContact O-N 3.35Å; Q253-Q257 VanDerWaalsContact O-CG 3.24Å; Q253-Q257 WeakPolarHBondContact O-CG 3.31Å; Q253-Q257 PolarHBondContact O-N 3.05Å
254E96.1Very high96.4Very high103 Ų10381.6 Ų81.648%0.48140%0.399SS..Hα-helixtrans-61.2-49.1174.3-172.5179.7178.100111.2A250 L251 H256 Q257 V258 L407A250-E254 PolarHBondContact O-N 3.35Å; L251-E254 WeakPolarHBondContact O-CB 3.5Å; L251-E254 PolarHBondContact O-N 3.37Å; E254-H256 PolarHBondContact O-N 3.41Å; E254-Q257 PolarHBondContact O-N 2.87Å; E254-V258 PolarHBondContact O-N 3.17Å; E254-V258 VanDerWaalsContact O-N 3.15Å; E254-L407 HydrophobicContact CB-CD1 4.39Å; E254-L407 HydrophobicContact CG-CD1 3.94Å
255A95.7Very high96.5Very high19 Ų1982.7 Ų82.716%0.15740%0.401CS..Hα-helixtrans-59.4-45.8176.400000111.9L251 L252 Q257 V258 E259 L407 V409L251-A255 PolarHBondContact O-N 3.28Å; L252-A255 PolarHBondContact O-N 3.43Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.8Å; A255-V258 WeakPolarHBondContact O-CB 3.22Å; A255-V258 PolarHBondContact O-N 2.95Å; A255-E259 PolarHBondContact O-N 3.38Å; A255-L407 HydrophobicContact CB-CB 4.31Å; A255-L407 HydrophobicContact CB-CD1 4.19Å; A255-V409 HydrophobicContact CB-CG2 4.28Å
256H97Very high96.6Very high120 Ų12081.9 Ų81.956%0.55640%0.399SS*.Hα-helixtrans-60.3-41.5176.7173.9-101.2000112.1L252 Q253 E254 V258 E259 V260L252-H256 WeakPolarHBondContact O-CB 3.27Å; L252-H256 PolarHBondContact O-N 3.48Å; Q253-H256 PolarHBondContact O-N 3.35Å; E254-H256 PolarHBondContact O-N 3.41Å; H256-V258 VanDerWaalsContact C-N 3.31Å; H256-V258 PolarHBondContact O-N 3.37Å; H256-E259 PolarHBondContact O-N 2.98Å; H256-V260 VanDerWaalsContact CE1-CG2 3.49Å; H256-V260 WeakPolarHBondContact CE1-CG2 3.28Å; H256-V260 WeakPolarHBondContact NE2-CG2 3.44Å; H256-V260 WeakPolarHBondContact O-CB 3.49Å; H256-V260 VanDerWaalsContact O-CG2 3.28Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.98Å
257Q97.6Very high96.6Very high98 Ų9877.4 Ų77.446%0.45838%0.382SS..Hα-helixtrans-61.7-39.7176.5-75173.42100112.2Q253 E254 A255 Q261Q253-Q257 VanDerWaalsContact O-CG 3.24Å; Q253-Q257 WeakPolarHBondContact O-CG 3.31Å; Q253-Q257 PolarHBondContact O-N 3.05Å; E254-Q257 PolarHBondContact O-N 2.87Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.8Å; Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.45Å; Q257-Q261 PolarHBondContact O-N 3.39Å; Q257-Q261 VanDerWaalsContact O-N 3.09Å
258V96.1Very high96.6Very high57 Ų5782.4 Ų82.435%0.34540%0.4SS..Hα-helixtrans-63.7-46.1175.9173.30000110.8E254 A255 H256 Q261 K262E254-V258 PolarHBondContact O-N 3.17Å; E254-V258 VanDerWaalsContact O-N 3.15Å; A255-V258 WeakPolarHBondContact O-CB 3.22Å; A255-V258 PolarHBondContact O-N 2.95Å; H256-V258 VanDerWaalsContact C-N 3.31Å; H256-V258 PolarHBondContact O-N 3.37Å; V258-Q261 WeakPolarHBondContact O-CB 3.25Å; V258-Q261 PolarHBondContact O-N 3.21Å; V258-K262 PolarHBondContact O-N 3.4Å; V258-K262 VanDerWaalsContact O-N 3.08Å
259E95.7Very high96.6Very high92 Ų9286.8 Ų86.843%0.4342%0.423SS..Hα-helixtrans-65.7-41.8178.8-69.5-53.2133.900112.6A255 H256 Q261 K262 K263A255-E259 PolarHBondContact O-N 3.38Å; H256-E259 PolarHBondContact O-N 2.98Å; E259-Q261 PolarHBondContact O-N 3.34Å; E259-K262 WeakPolarHBondContact O-CB 3.29Å; E259-K262 PolarHBondContact O-N 3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 IonicContact OE1-NZ 3.05Å; E259-K262 PolarHBondContact OE1-NZ 2.98Å; E259-K262 IonicContact OE2-NZ 3.89Å; E259-K263 PolarHBondContact O-N 3.18Å
260V97.9Very high96.6Very high47 Ų4788 Ų8829%0.28543%0.429SS..Hα-helixtrans-59.1-37.7173.6168.60000111.3H256 K264H256-V260 VanDerWaalsContact CE1-CG2 3.49Å; H256-V260 WeakPolarHBondContact CE1-CG2 3.28Å; H256-V260 WeakPolarHBondContact NE2-CG2 3.44Å; H256-V260 WeakPolarHBondContact O-CB 3.49Å; H256-V260 VanDerWaalsContact O-CG2 3.28Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.98Å; V260-K264 HydrophobicContact CG1-CD 4.09Å; V260-K264 HydrophobicContact CG1-CG 4.45Å; V260-K264 WeakPolarHBondContact O-CB 3.49Å; V260-K264 VanDerWaalsContact O-CG 3.25Å; V260-K264 WeakPolarHBondContact O-CG 3.49Å; V260-K264 PolarHBondContact O-N 2.83Å
261Q97.1Very high96.4Very high115 Ų11594.7 Ų94.754%0.53744%0.442SS..Hα-helixtrans-66.7-40.7175.8-73.3175.426.200112.3Q257 V258 E259 Q265Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.45Å; Q257-Q261 PolarHBondContact O-N 3.39Å; Q257-Q261 VanDerWaalsContact O-N 3.09Å; V258-Q261 WeakPolarHBondContact O-CB 3.25Å; V258-Q261 PolarHBondContact O-N 3.21Å; E259-Q261 PolarHBondContact O-N 3.34Å; Q261-Q265 WeakPolarHBondContact O-CG 3.39Å; Q261-Q265 PolarHBondContact O-N 3.23Å; Q261-Q265 VanDerWaalsContact O-N 3.16Å
262K96.3Very high96.2Very high60 Ų60100.8 Ų100.826%0.26147%0.471SS..Hα-helixtrans-62.8-49.9174.9-68.9175.3-175.9168.60110.9V258 E259 K264 Q265 E266 D406V258-K262 PolarHBondContact O-N 3.4Å; V258-K262 VanDerWaalsContact O-N 3.08Å; E259-K262 WeakPolarHBondContact O-CB 3.29Å; E259-K262 PolarHBondContact O-N 3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 IonicContact OE1-NZ 3.05Å; E259-K262 PolarHBondContact OE1-NZ 2.98Å; E259-K262 IonicContact OE2-NZ 3.89Å; K262-K264 VanDerWaalsContact C-N 3.34Å; K262-K264 PolarHBondContact O-N 3.01Å; K262-Q265 WeakPolarHBondContact O-CA 2.88Å; K262-Q265 WeakPolarHBondContact O-CB 3.26Å; K262-Q265 PolarHBondContact O-N 3.07Å; K262-E266 PolarHBondContact O-N 3.45Å; K262-D406 VanDerWaalsContact NZ-CG 3.34Å; K262-D406 IonicContact NZ-OD1 2.65Å; K262-D406 PolarHBondContact NZ-OD1 3.05Å; K262-D406 IonicContact NZ-OD2 2.65Å
263K97.8Very high95.9Very high129 Ų129105.5 Ų105.556%0.56150%0.495SS*.Hα-helixtrans-57.6-44.1177.7-172.2174-178.3174.80112.3E259 Q265 E266 D267E259-K263 PolarHBondContact O-N 3.18Å; K263-Q265 VanDerWaalsContact C-N 3.26Å; K263-Q265 PolarHBondContact O-N 2.88Å; K263-E266 PolarHBondContact O-N 3.15Å; K263-E266 VanDerWaalsContact O-N 3.17Å; K263-D267 WeakPolarHBondContact O-CB 3.18Å; K263-D267 VanDerWaalsContact O-CG 3.23Å; K263-D267 PolarHBondContact O-N 3.36Å
264K98.1Very high95.4Very high142 Ų142103.1 Ų103.162%0.61750%0.495SS*.Hα-helixtrans-60.2-34.1174.6-77.7175.6-180179.40113.1V260 K262 K268V260-K264 HydrophobicContact CG1-CD 4.09Å; V260-K264 HydrophobicContact CG1-CG 4.45Å; V260-K264 WeakPolarHBondContact O-CB 3.49Å; V260-K264 VanDerWaalsContact O-CG 3.25Å; V260-K264 WeakPolarHBondContact O-CG 3.49Å; V260-K264 PolarHBondContact O-N 2.83Å; K262-K264 VanDerWaalsContact C-N 3.34Å; K262-K264 PolarHBondContact O-N 3.01Å; K264-K268 VanDerWaalsContact O-CB 3.25Å; K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.13Å; K264-K268 VanDerWaalsContact O-N 3.1Å
265Q96.9Very high94.5Very high124 Ų124104 Ų10458%0.57950%0.502SS*.Hα-helixtrans-72.1-41.3175.9-70171.419.400111.2Q261 K262 K263 K268 L269Q261-Q265 WeakPolarHBondContact O-CG 3.39Å; Q261-Q265 PolarHBondContact O-N 3.23Å; Q261-Q265 VanDerWaalsContact O-N 3.16Å; K262-Q265 WeakPolarHBondContact O-CA 2.88Å; K262-Q265 WeakPolarHBondContact O-CB 3.26Å; K262-Q265 PolarHBondContact O-N 3.07Å; K263-Q265 VanDerWaalsContact C-N 3.26Å; K263-Q265 PolarHBondContact O-N 2.88Å; Q265-K268 PolarHBondContact O-N 2.98Å; Q265-L269 WeakPolarHBondContact O-CG 3.39Å; Q265-L269 PolarHBondContact O-N 3.02Å
266E96.9Very high93.6Very high116 Ų116108 Ų10854%0.54252%0.521SS..Hα-helixtrans-61.6-53.6174.2-68.8172.2168.500110.9K262 K263 K268 L269 E270K262-E266 PolarHBondContact O-N 3.45Å; K263-E266 PolarHBondContact O-N 3.15Å; K263-E266 VanDerWaalsContact O-N 3.17Å; E266-K268 PolarHBondContact O-N 3.19Å; E266-L269 CarbonylContact O-C 3.55Å; E266-L269 WeakPolarHBondContact O-CA 3.47Å; E266-L269 WeakPolarHBondContact O-CB 3.41Å; E266-L269 PolarHBondContact O-N 2.79Å; E266-E270 WeakPolarHBondContact O-CG 3.36Å; E266-E270 PolarHBondContact O-N 2.95Å
267D97.1Very high92.3Very high52 Ų52110.7 Ų110.728%0.27853%0.531SS..Hα-helixtrans-55-38.4176-66.5-15.8000111.5K263 R271K263-D267 WeakPolarHBondContact O-CB 3.18Å; K263-D267 VanDerWaalsContact O-CG 3.23Å; K263-D267 PolarHBondContact O-N 3.36Å; D267-R271 WeakPolarHBondContact O-CB 3.5Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 2.94Å
268K96.9Very high90.9Very high134 Ų134114.8 Ų114.858%0.58355%0.55SS*.Hα-helixtrans-66.5-41.9176.7-177.7178.2179.8178.40111.5K264 Q265 E266 Q272K264-K268 VanDerWaalsContact O-CB 3.25Å; K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.13Å; K264-K268 VanDerWaalsContact O-N 3.1Å; Q265-K268 PolarHBondContact O-N 2.98Å; E266-K268 PolarHBondContact O-N 3.19Å; K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.25Å; K268-Q272 PolarHBondContact O-N 3.28Å
269L95.6Very high89.4Confident101 Ų101117.6 Ų117.653%0.52956%0.563SS.*Hα-helixtrans-67.2-42.8175.8-71.4173.3000110.9Q265 E266 R271 Q272 L273Q265-L269 WeakPolarHBondContact O-CG 3.39Å; Q265-L269 PolarHBondContact O-N 3.02Å; E266-L269 CarbonylContact O-C 3.55Å; E266-L269 WeakPolarHBondContact O-CA 3.47Å; E266-L269 WeakPolarHBondContact O-CB 3.41Å; E266-L269 PolarHBondContact O-N 2.79Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.2Å; L269-Q272 CarbonylContact O-C 3.59Å; L269-Q272 PolarHBondContact O-N 3.23Å; L269-Q272 VanDerWaalsContact O-N 3.13Å; L269-L273 WeakPolarHBondContact O-CB 3.16Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.19Å
270E95Very high88.3Confident128 Ų128119.1 Ų119.160%0.59857%0.568SS**Hα-helixtrans-59.6-44.8175.1-72.8-174.8175.100111.3E266 Q272 L273 A274E266-E270 WeakPolarHBondContact O-CG 3.36Å; E266-E270 PolarHBondContact O-N 2.95Å; E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.48Å; E270-L273 CarbonylContact O-C 3.6Å; E270-L273 PolarHBondContact O-N 2.99Å; E270-A274 WeakPolarHBondContact O-CA 3.35Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.29Å
271R92.2Very high87.1Confident195 Ų195119.6 Ų119.674%0.73658%0.577SS**Hα-helixtrans-62.2-35.6174.1-72.7170.5-167.5-166.23.3113.1D267 L269D267-R271 WeakPolarHBondContact O-CB 3.5Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 2.94Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.2Å
272Q91.3Very high86.3Confident133 Ų133118 Ų11862%0.62158%0.575SS**Hα-helixtrans-73.9-32.4176.6-75.5179.1-16.200112.7K268 L269 E270K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.25Å; K268-Q272 PolarHBondContact O-N 3.28Å; L269-Q272 CarbonylContact O-C 3.59Å; L269-Q272 PolarHBondContact O-N 3.23Å; L269-Q272 VanDerWaalsContact O-N 3.13Å; E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.48Å
273L89.6Confident85.5Confident138 Ų138122.9 Ų122.972%0.72360%0.599SS**Hα-helixtrans-85-19176.5-70.4174000112.7L269 E270 I275L269-L273 WeakPolarHBondContact O-CB 3.16Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.19Å; E270-L273 CarbonylContact O-C 3.6Å; E270-L273 PolarHBondContact O-N 2.99Å; L273-I275 PolarHBondContact O-N 3.47Å
274A87.6Confident84.5Confident62 Ų62123.1 Ų123.151%0.51260%0.602SS.*  trans-64.598.6174.900000108.3E270 N276E270-A274 WeakPolarHBondContact O-CA 3.35Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.29Å; A274-N276 PolarHBondContact O-N 2.77Å
275I76.2Confident83.7Confident123 Ų123118.9 Ų118.963%0.63159%0.588SS**  trans-64.2127.9167.5-59.1169.6000106.7L273 K277 K280L273-I275 PolarHBondContact O-N 3.47Å; I275-K277 PolarHBondContact O-N 2.95Å; I275-K280 HydrophobicContact CG2-CG 4.41Å
276N77.2Confident83Confident103 Ų103116 Ų11655%0.55158%0.577SS**  trans-56.8125.3172.2-61.2-39.2000107.6A274 E278 D279A274-N276 PolarHBondContact O-N 2.77Å; N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 VanDerWaalsContact O-N 3.13Å; N276-D279 HydrophobicContact CB-CB 4.24Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.28Å; N276-D279 PolarHBondContact ND2-OD2 3.01Å; N276-D279 PolarHBondContact O-N 3.45Å
277K68.6Low82.2Confident176 Ų176115.3 Ų115.377%0.76558%0.576SS**G310 helixtrans-62.1-23.4-177.9-67.8177.5-179.11750112.2I275 K280I275-K277 PolarHBondContact O-N 2.95Å; K277-K280 WeakPolarHBondContact O-CB 3.37Å; K277-K280 PolarHBondContact O-N 3.27Å
278E68.2Low81.5Confident184 Ų184121.6 Ų121.686%0.8660%0.596SS**G310 helixtrans-73.7-28.1176.6-63.7171.3-17500112.6N276 K280N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 VanDerWaalsContact O-N 3.13Å; E278-K280 PolarHBondContact O-N 3.06Å
279D66Low80.8Confident116 Ų116121.5 Ų121.562%0.6260%0.597SS**G310 helixtrans-85.24.3176.5-61.7-27.4000112.2N276 A281N276-D279 HydrophobicContact CB-CB 4.24Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.28Å; N276-D279 PolarHBondContact ND2-OD2 3.01Å; N276-D279 PolarHBondContact O-N 3.45Å; D279-A281 PolarHBondContact O-N 3.09Å
280K71.3Confident80.1Confident124 Ų124123.9 Ų123.954%0.53961%0.606SS.*SBendtrans-77119.2172.3-70.6-176.6177.8-174.60108.1I275 K277 E278 T282I275-K280 HydrophobicContact CG2-CG 4.41Å; K277-K280 WeakPolarHBondContact O-CB 3.37Å; K277-K280 PolarHBondContact O-N 3.27Å; E278-K280 PolarHBondContact O-N 3.06Å; K280-T282 PolarHBondContact O-N 3.35Å
281A73.9Confident79.3Confident57 Ų57121.7 Ų121.747%0.47160%0.601SS.*  trans-52112.2177.900000111.1D279 T285 N286D279-A281 PolarHBondContact O-N 3.09Å; A281-T285 VanDerWaalsContact CA-OG1 3.24Å; A281-T285 WeakPolarHBondContact CA-OG1 3.5Å; A281-T285 WeakPolarHBondContact CB-OG1 3.34Å; A281-N286 VanDerWaalsContact CB-OD1 3.26Å; A281-N286 WeakPolarHBondContact CB-OD1 3.12Å
282T79.2Confident78.3Confident81 Ų81120 Ų12050%0.49760%0.601SS.*  trans-66.3157.3169.7-45.60000108.6K280 E284 T285 N286K280-T282 PolarHBondContact O-N 3.35Å; T282-E284 PolarHBondContact O-N 3.1Å; T282-E284 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact N-OG1 2.85Å; T282-T285 PolarHBondContact O-N 3Å; T282-T285 PolarHBondContact O-OG1 3.17Å; T282-N286 PolarHBondContact O-N 3.21Å; T282-N286 PolarHBondContact O-ND2 3.18Å
283E79.8Confident77Confident163 Ų163117.1 Ų117.176%0.76261%0.608SS**Hα-helixtrans-53.2-35.6174.9-64.2-178.9170.900111.7N286 L287E283-N286 PolarHBondContact O-N 3.1Å; E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.01Å
284E77.8Confident75.9Confident133 Ų133117.8 Ų117.862%0.62161%0.611SS**Hα-helixtrans-65.6-38.1175.5-61.5-176.1169.100114T282 L287 R288T282-E284 PolarHBondContact O-N 3.1Å; T282-E284 VanDerWaalsContact O-N 3.13Å; E284-L287 PolarHBondContact O-N 3.37Å; E284-R288 WeakPolarHBondContact O-CG 3.49Å; E284-R288 PolarHBondContact O-N 3.5Å
285T80Confident74.3Confident54 Ų54120.1 Ų120.133%0.33162%0.619SS.*Hα-helixtrans-73.8-37.9178.259.70000110.6A281 T282 L287 R288 E289A281-T285 VanDerWaalsContact CA-OG1 3.24Å; A281-T285 WeakPolarHBondContact CA-OG1 3.5Å; A281-T285 WeakPolarHBondContact CB-OG1 3.34Å; T282-T285 PolarHBondContact N-OG1 2.85Å; T282-T285 PolarHBondContact O-N 3Å; T282-T285 PolarHBondContact O-OG1 3.17Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 3.31Å; T285-R288 PolarHBondContact O-N 2.98Å; T285-E289 PolarHBondContact O-N 3.19Å
286N82.1Confident73.1Confident63 Ų63122.6 Ų122.634%0.33763%0.628SS.*Hα-helixtrans-62.7-37.5172.4-68.5-39.5000111.9A281 T282 E283 Q290A281-N286 VanDerWaalsContact CB-OD1 3.26Å; A281-N286 WeakPolarHBondContact CB-OD1 3.12Å; T282-N286 PolarHBondContact O-N 3.21Å; T282-N286 PolarHBondContact O-ND2 3.18Å; E283-N286 PolarHBondContact O-N 3.1Å; N286-Q290 WeakPolarHBondContact O-CB 3.44Å; N286-Q290 VanDerWaalsContact O-CG 3.24Å; N286-Q290 WeakPolarHBondContact O-CG 3.22Å; N286-Q290 PolarHBondContact O-N 3.22Å
287L81.4Confident71.7Confident102 Ų102126.7 Ų126.753%0.53464%0.644SS.*Hα-helixtrans-67-39.9174.3-78170.6000111.9E283 E284 T285 Q290 V291E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.01Å; E284-L287 PolarHBondContact O-N 3.37Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 3.31Å; L287-Q290 PolarHBondContact O-N 3.41Å; L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.11Å; L287-V291 VanDerWaalsContact O-N 3.09Å
288R81.7Confident70.7Confident184 Ų184126.9 Ų126.969%0.69465%0.647SS**Hα-helixtrans-61.4-46.4174.4-75.1179.6-173.9172.83.8111.8E284 T285 Q290 V291 E292E284-R288 WeakPolarHBondContact O-CG 3.49Å; E284-R288 PolarHBondContact O-N 3.5Å; T285-R288 PolarHBondContact O-N 2.98Å; R288-Q290 VanDerWaalsContact C-N 3.28Å; R288-Q290 PolarHBondContact O-N 2.73Å; R288-V291 PolarHBondContact O-N 3.22Å; R288-V291 VanDerWaalsContact O-N 3.1Å; R288-E292 WeakPolarHBondContact O-CB 3.45Å; R288-E292 PolarHBondContact O-N 2.87Å
289E81.6Confident69.3Low131 Ų131126.5 Ų126.561%0.61265%0.646SS**Hα-helixtrans-61.9-33.2175.4-72.1-178.8-177.600112.8T285 V291T285-E289 PolarHBondContact O-N 3.19Å; E289-V291 VanDerWaalsContact C-N 3.31Å
290Q80.9Confident68Low151 Ų151129.6 Ų129.671%0.70666%0.656SS**Hα-helixtrans-74.1-21.6176.1-75.417416.600113.5N286 L287 R288N286-Q290 WeakPolarHBondContact O-CB 3.44Å; N286-Q290 VanDerWaalsContact O-CG 3.24Å; N286-Q290 WeakPolarHBondContact O-CG 3.22Å; N286-Q290 PolarHBondContact O-N 3.22Å; L287-Q290 PolarHBondContact O-N 3.41Å; R288-Q290 VanDerWaalsContact C-N 3.28Å; R288-Q290 PolarHBondContact O-N 2.73Å
291V79.3Confident66.3Low83 Ų83133.4 Ų133.450%0.50368%0.676SS.*Hα-helixtrans-96.3-25.1179.4174.40000111.3L287 R288 E289 G293 L294L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.11Å; L287-V291 VanDerWaalsContact O-N 3.09Å; R288-V291 PolarHBondContact O-N 3.22Å; R288-V291 VanDerWaalsContact O-N 3.1Å; E289-V291 VanDerWaalsContact C-N 3.31Å; V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.17Å; V291-L294 WeakPolarHBondContact O-CB 3.43Å; V291-L294 PolarHBondContact O-N 3.34Å
292E71.5Confident64.3Low158 Ų158138.4 Ų138.474%0.73869%0.689SS**THydrogen-bonded Turntrans-65108.9173.1-164.9170.5-16400109.7R288R288-E292 WeakPolarHBondContact O-CB 3.45Å; R288-E292 PolarHBondContact O-N 2.87Å
293G64.2Low61.9Low73 Ų73140.8 Ų140.875%0.75370%0.699SS**THydrogen-bonded Turntrans114.1-6.4-170.900000115.1V291V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.17Å
294L64.9Low59.6Low152 Ų152140.8 Ų140.880%0.79670%0.704SS**SBendtrans-91.7-10.1167-155.474.1000112.6V291V291-L294 WeakPolarHBondContact O-CB 3.43Å; V291-L294 PolarHBondContact O-N 3.34Å
295V53.8Low57.4Low112 Ų112141 Ų14168%0.67971%0.71SS**SBendtrans-102.5102.7169.9-176.90000106.5E297V295-E297 PolarHBondContact O-N 3.24Å
296E51.5Low55.2Low175 Ų175147.2 Ų147.282%0.81874%0.735SS**  trans-64.6109.4166-79.5174.715200107.5E298E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 3.3Å
297E47.4Very low52.7Low189 Ų189152.7 Ų152.788%0.88376%0.759SS**  trans-6990.1164.1-73.6177.7160.600107.8V295 E299V295-E297 PolarHBondContact O-N 3.24Å; E297-E299 VanDerWaalsContact C-N 3.29Å; E297-E299 PolarHBondContact O-N 3.04Å
298E47.9Very low50.2Low179 Ų179153.8 Ų153.884%0.83678%0.775SS**  trans-73.983.5158.5-77.4-175156.500108.6E296E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 3.3Å
299E38.7Very low47.9Very low177 Ų177148.7 Ų148.783%0.82777%0.772SS**  trans-136.592.2161.8-82.2-171.9171.400110.2E297E297-E299 VanDerWaalsContact C-N 3.29Å; E297-E299 PolarHBondContact O-N 3.04Å
300E38.3Very low46.1Very low180 Ų180148 Ų14884%0.84178%0.779SS**  trans27.894.5135.8-63.9176168.300118.4
301E35.8Very low43.5Very low204 Ų204146.3 Ų146.395%0.95378%0.784SS**  trans-9580.1148.4-76.3-166.3167.400109.2
302E32.7Very low41.4Very low162 Ų162151.7 Ų151.776%0.75780%0.8SS**  trans-85125.4165.6-124.1-176.8-16700110
303N29.6Very low39.5Very low131 Ų131153 Ų15370%0.70181%0.807SS**  trans50.6114.3150.3-73.1-30.3000120.5
304N30.9Very low38.2Very low163 Ų163156.3 Ų156.387%0.87281%0.807SS**  trans-144.681.5135.5-145.2-8.4000110.8
305D31Very low36.8Very low138 Ų138156.8 Ų156.874%0.73881%0.805SS**  trans-68.7131.9152.9-87.7-33.1000108.6
306E33.9Very low35.7Very low184 Ų184160 Ų16086%0.8681%0.813SS**  trans178.295.5133.7-100.9178.3-178.900111.2
307E29.6Very low35Very low179 Ų179155.9 Ų155.984%0.83681%0.809SS**  29.9117.5115.1-155.4144.9-154.300119.3
308S29.1Very low34.3Very low125 Ų125151.7 Ų151.787%0.87481%0.806SS**  trans-148.195.8150.4175.60000109.4
309A32.5Very low33.7Very low76 Ų76151 Ų15163%0.62881%0.807SS**  trans-78.9174.6171.300000111.1
310P45Very low33.6Very low117 Ų117147.1 Ų147.176%0.7681%0.806SS**  trans-93.3164.7-146.240.4-38.9000113.3
311S26.8Very low33.7Very low116 Ų116142.7 Ų142.781%0.81180%0.8SS**  trans-168.3120.6157.2-79.10000111.9
312K33.4Very low34.1Very low195 Ų195140.7 Ų140.785%0.84879%0.794SS**  -18087.9125.3-93.6172.4-169.6-171.90108.7
313E32.8Very low34.7Very low187 Ų187136.7 Ų136.787%0.87479%0.789SS**  trans-64.8136144.5-69175.8154.300107.3
314D35.9Very low35.7Very low141 Ų141136.6 Ų136.675%0.75479%0.793SS**  trans-148.1104.8146-83.7-36.7000106.4
315E35.8Very low36.9Very low163 Ų163134.9 Ų134.976%0.76279%0.789SS**  trans54.2103130-62.2-170.8173.200117.5
316E31.8Very low38.5Very low178 Ų178136.8 Ų136.883%0.83279%0.793SS**  85.2127.388.2-84.8-163.6155.600114.6
317A35.8Very low39.9Very low89 Ų89138 Ų13874%0.73680%0.795SS**  trans61.779.1142.300000118.5
318A33.5Very low41.5Very low101 Ų101134.6 Ų134.684%0.83578%0.778SS**  trans-115.176.1138.200000109.1A320A318-A320 PolarHBondContact O-N 3.1Å
319L34.5Very low43.7Very low164 Ų164132.4 Ų132.486%0.85976%0.759SS**  trans-51.7108.3157.7-71.6167.1000107.1A321L319-A321 PolarHBondContact O-N 3.39Å
320A37.1Very low45.6Very low97 Ų97136 Ų13680%0.80276%0.763SS**  trans-68.676.5169.800000108.5A318 I322A318-A320 PolarHBondContact O-N 3.1Å; A320-I322 PolarHBondContact O-N 3.42Å; A320-I322 VanDerWaalsContact O-N 3.11Å
321A39.5Very low47.2Very low86 Ų86139.1 Ų139.171%0.71177%0.765SS**  trans-58.7114.1162.800000106.7L319 A323L319-A321 PolarHBondContact O-N 3.39Å; A321-A323 PolarHBondContact O-N 3.41Å
322I44.2Very low49.6Very low162 Ų162138.7 Ų138.783%0.83175%0.75SS**  trans-62.988.4164.6-63.3167.2000105.3A320 V324A320-I322 PolarHBondContact O-N 3.42Å; A320-I322 VanDerWaalsContact O-N 3.11Å; I322-V324 PolarHBondContact O-N 2.94Å
323A45.4Very low51.7Low78 Ų78132.6 Ų132.665%0.64573%0.726SS**  trans-62.6105.5172.600000106.5A321 T325A321-A323 PolarHBondContact O-N 3.41Å; A323-T325 VanDerWaalsContact C-N 3.28Å; A323-T325 PolarHBondContact O-N 2.99Å
324V52.4Low54Low130 Ų130130.7 Ų130.779%0.78872%0.715SS**  trans-54.9101.1163.4176.20000105.6I322 Q326I322-V324 PolarHBondContact O-N 2.94Å; V324-Q326 PolarHBondContact O-N 2.65Å
325T56.1Low56.5Low127 Ų127130.6 Ų130.678%0.77971%0.707SS**  trans-62.3106.5-179.952.50000107.3A323 K327A323-T325 VanDerWaalsContact C-N 3.28Å; A323-T325 PolarHBondContact O-N 2.99Å; T325-K327 PolarHBondContact O-N 3.49Å
326Q63.1Low58.8Low177 Ų177126.9 Ų126.983%0.82769%0.69SS**  trans-53.5137.4169.2-66.5179.8-800108.3V324 K328V324-Q326 PolarHBondContact O-N 2.65Å; Q326-K328 PolarHBondContact O-N 2.65Å
327K64.3Low61.3Low210 Ų210124.8 Ų124.891%0.91368%0.678SS**  trans-57.4113.6178.6-72.7-177.8179.5178.10108.5T325 T329T325-K327 PolarHBondContact O-N 3.49Å; K327-T329 PolarHBondContact O-N 3.16Å
328K62.6Low63.8Low108 Ų108122.8 Ų122.847%0.4766%0.662SS.*  trans-55.5137.7176.6-66.4177.6176.8177.20109.4Q326 Q332 I333 E336Q326-K328 PolarHBondContact O-N 2.65Å; K328-Q332 HydrophobicContact CB-CB 4.28Å; K328-I333 HydrophobicContact CB-CD1 4.38Å; K328-I333 HydrophobicContact CB-CG1 3.82Å; K328-E336 VanDerWaalsContact CD-OE2 3.31Å; K328-E336 WeakPolarHBondContact CD-OE2 3.29Å; K328-E336 IonicContact NZ-OE1 3.75Å; K328-E336 PolarHBondContact NZ-OE1 2.82Å; K328-E336 IonicContact NZ-OE2 2.73Å; K328-E336 PolarHBondContact NZ-OE2 3.47Å
329T74.7Confident66.4Low79 Ų79122.4 Ų122.449%0.48564%0.643SS.*  trans-65.2151.7175.157.20000110.4K327 K331 Q332 I333K327-T329 PolarHBondContact O-N 3.16Å; T329-K331 PolarHBondContact O-N 3.35Å; T329-Q332 VanDerWaalsContact N-OE1 3.09Å; T329-Q332 WeakPolarHBondContact O-CA 3.38Å; T329-Q332 WeakPolarHBondContact O-CB 3.2Å; T329-Q332 PolarHBondContact O-N 3.3Å; T329-Q332 VanDerWaalsContact OG1-CG 3.27Å; T329-Q332 WeakPolarHBondContact OG1-CG 3.47Å; T329-Q332 PolarHBondContact OG1-OE1 3.43Å; T329-I333 PolarHBondContact O-N 3.41Å
330E73.1Confident69.1Low151 Ų151120.8 Ų120.871%0.70663%0.629SS**Hα-helixtrans-54.6-32.6-179.2-67-171.1164.900113.2I333 K334E330-I333 PolarHBondContact O-N 3.2Å; E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.31Å; E330-K334 PolarHBondContact O-N 3.43Å
331K78Confident71.6Confident182 Ų182120.9 Ų120.979%0.79162%0.615SS**Hα-helixtrans-66.3-41.2174.9-70-175.4179.51790112.2T329 K334 K335T329-K331 PolarHBondContact O-N 3.35Å; K331-K334 PolarHBondContact O-N 3.2Å; K331-K335 WeakPolarHBondContact O-CB 3.45Å; K331-K335 PolarHBondContact O-N 3.19Å
332Q78.3Confident74.1Confident108 Ų108123.3 Ų123.351%0.50561%0.61SS.*Hα-helixtrans-67.4-39.5174.9-71.6165.1-13.600111.3K328 T329 K335 E336K328-Q332 HydrophobicContact CB-CB 4.28Å; T329-Q332 VanDerWaalsContact N-OE1 3.09Å; T329-Q332 WeakPolarHBondContact O-CA 3.38Å; T329-Q332 WeakPolarHBondContact O-CB 3.2Å; T329-Q332 PolarHBondContact O-N 3.3Å; T329-Q332 VanDerWaalsContact OG1-CG 3.27Å; T329-Q332 WeakPolarHBondContact OG1-CG 3.47Å; T329-Q332 PolarHBondContact OG1-OE1 3.43Å; Q332-K335 PolarHBondContact O-N 2.99Å; Q332-E336 VanDerWaalsContact O-CB 3.3Å; Q332-E336 WeakPolarHBondContact O-CB 3.38Å; Q332-E336 PolarHBondContact O-N 3.06Å
333I76.1Confident76.3Confident67 Ų67121.1 Ų121.134%0.34460%0.596SS.*Hα-helixtrans-63.6-41.8175.2-62.4171.1000111.2K328 T329 E330 K337K328-I333 HydrophobicContact CB-CD1 4.38Å; K328-I333 HydrophobicContact CB-CG1 3.82Å; T329-I333 PolarHBondContact O-N 3.41Å; E330-I333 PolarHBondContact O-N 3.2Å; I333-K337 HydrophobicContact CG2-CD 4.25Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.27Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 3.02Å
334K82.4Confident78.6Confident146 Ų146122 Ų12264%0.63559%0.587SS**Hα-helixtrans-66.1-41.2176.2-76.1175.4-179.6174.10112E330 K331 K337 A338E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.31Å; E330-K334 PolarHBondContact O-N 3.43Å; K331-K334 PolarHBondContact O-N 3.2Å; K334-K337 PolarHBondContact O-N 3.1Å; K334-A338 WeakPolarHBondContact O-CB 3.23Å; K334-A338 PolarHBondContact O-N 3.17Å
335K86.9Confident80.5Confident139 Ų139121.9 Ų121.960%0.60458%0.578SS**Hα-helixtrans-65.3-45.2177-169.6178.9176.3-173.50111.8K331 Q332 A338 E339K331-K335 WeakPolarHBondContact O-CB 3.45Å; K331-K335 PolarHBondContact O-N 3.19Å; Q332-K335 PolarHBondContact O-N 2.99Å; K335-A338 WeakPolarHBondContact O-CB 3.46Å; K335-A338 PolarHBondContact O-N 3.31Å; K335-A338 VanDerWaalsContact O-N 3.15Å; K335-E339 VanDerWaalsContact CE-OE1 3.25Å; K335-E339 WeakPolarHBondContact CE-OE1 3.44Å; K335-E339 WeakPolarHBondContact O-CG 3.44Å; K335-E339 PolarHBondContact O-N 3Å
336E84.6Confident82.3Confident85 Ų85124.8 Ų124.840%0.39757%0.574SS.*Hα-helixtrans-64.9-39.5176.5-175.8177.7-173.300112.1K328 Q332 A338 E339 K340K328-E336 VanDerWaalsContact CD-OE2 3.31Å; K328-E336 WeakPolarHBondContact CD-OE2 3.29Å; K328-E336 IonicContact NZ-OE1 3.75Å; K328-E336 PolarHBondContact NZ-OE1 2.82Å; K328-E336 IonicContact NZ-OE2 2.73Å; K328-E336 PolarHBondContact NZ-OE2 3.47Å; Q332-E336 VanDerWaalsContact O-CB 3.3Å; Q332-E336 WeakPolarHBondContact O-CB 3.38Å; Q332-E336 PolarHBondContact O-N 3.06Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.11Å; E336-E339 PolarHBondContact O-N 2.9Å; E336-K340 VanDerWaalsContact O-CB 3.26Å; E336-K340 WeakPolarHBondContact O-CB 3.27Å; E336-K340 PolarHBondContact O-N 3.46Å
337K85.4Confident83.7Confident135 Ų135122 Ų12259%0.58756%0.564SS**Hα-helixtrans-61.2-41.2171.4-78.4178179.4-178.50111.8I333 K334 L341I333-K337 HydrophobicContact CG2-CD 4.25Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.27Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 3.02Å; K334-K337 PolarHBondContact O-N 3.1Å; K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 VanDerWaalsContact O-CG 3.29Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.3Å
338A87.4Confident85.1Confident47 Ų47115.6 Ų115.639%0.38854%0.543SS..Hα-helixtrans-68.8-39177.800000112.6K334 K335 E336 L341 K342K334-A338 WeakPolarHBondContact O-CB 3.23Å; K334-A338 PolarHBondContact O-N 3.17Å; K335-A338 WeakPolarHBondContact O-CB 3.46Å; K335-A338 PolarHBondContact O-N 3.31Å; K335-A338 VanDerWaalsContact O-N 3.15Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.11Å; A338-L341 PolarHBondContact O-N 3.49Å; A338-K342 WeakPolarHBondContact O-CG 3.46Å; A338-K342 PolarHBondContact O-N 3.01Å
339E89.2Confident86.6Confident93 Ų93113.1 Ų113.144%0.43554%0.54SS..Hα-helixtrans-64.7-45.3173.9-74.9168.1-177.800111K335 E336 L341 K342 E343K335-E339 VanDerWaalsContact CE-OE1 3.25Å; K335-E339 WeakPolarHBondContact CE-OE1 3.44Å; K335-E339 WeakPolarHBondContact O-CG 3.44Å; K335-E339 PolarHBondContact O-N 3Å; E336-E339 PolarHBondContact O-N 2.9Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.94Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.17Å; E339-K342 VanDerWaalsContact O-N 3.14Å; E339-E343 WeakPolarHBondContact O-CG 3.37Å; E339-E343 PolarHBondContact O-N 3.17Å
340K89.4Confident87.5Confident129 Ų129117 Ų11756%0.56155%0.545SS*.Hα-helixtrans-61-38.9175.2-167.9172.9-174172.70112.7E336 Q344E336-K340 VanDerWaalsContact O-CB 3.26Å; E336-K340 WeakPolarHBondContact O-CB 3.27Å; E336-K340 PolarHBondContact O-N 3.46Å; K340-Q344 WeakPolarHBondContact O-CB 3.23Å; K340-Q344 VanDerWaalsContact O-CG 3.22Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.43Å
341L90.2Very high88.5Confident99 Ų99117.9 Ų117.952%0.51854%0.542SS..Hα-helixtrans-66.9-40.8174.2-76.3169.5000112K337 A338 E339 Q344 Q345K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 VanDerWaalsContact O-CG 3.29Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.3Å; A338-L341 PolarHBondContact O-N 3.49Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.94Å; L341-Q344 PolarHBondContact O-N 3.01Å; L341-Q345 VanDerWaalsContact O-CG 3.3Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 3.22Å
342K92.4Very high89.1Confident137 Ų137114.6 Ų114.660%0.59653%0.53SS*.Hα-helixtrans-64.8-40.5174.7-76.9178.1179.3-179.70112.1A338 E339 Q345 R346A338-K342 WeakPolarHBondContact O-CG 3.46Å; A338-K342 PolarHBondContact O-N 3.01Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.17Å; E339-K342 VanDerWaalsContact O-N 3.14Å; K342-Q345 PolarHBondContact O-N 3.04Å; K342-R346 WeakPolarHBondContact O-CG 3.48Å; K342-R346 PolarHBondContact O-N 3.2Å
343E91.1Very high89.8Confident117 Ų117112.5 Ų112.555%0.54753%0.525SS..Hα-helixtrans-63.2-44.9174-74.9176.1177.700111.3E339 Q345 R346 L347E339-E343 WeakPolarHBondContact O-CG 3.37Å; E339-E343 PolarHBondContact O-N 3.17Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.89Å; E343-R346 PolarHBondContact O-N 3.4Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.25Å
344Q92.1Very high90.4Very high97 Ų97113.1 Ų113.145%0.45353%0.526SS..Hα-helixtrans-58.4-45.1173.8-75.8174.61.700111.4K340 L341 R346 L347 T348K340-Q344 WeakPolarHBondContact O-CB 3.23Å; K340-Q344 VanDerWaalsContact O-CG 3.22Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.43Å; L341-Q344 PolarHBondContact O-N 3.01Å; Q344-R346 PolarHBondContact O-N 2.84Å; Q344-L347 PolarHBondContact O-N 2.65Å; Q344-T348 WeakPolarHBondContact O-CG2 3.41Å; Q344-T348 PolarHBondContact O-N 2.91Å; Q344-T348 PolarHBondContact O-OG1 3.36Å
345Q93.1Very high90.7Very high127 Ų127111 Ų11159%0.59352%0.518SS*.Hα-helixtrans-63-37.5176-73.4173.7-3.400113.1L341 K342 E343 T348 S349L341-Q345 VanDerWaalsContact O-CG 3.3Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 3.22Å; K342-Q345 PolarHBondContact O-N 3.04Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.89Å; Q345-T348 WeakPolarHBondContact CA-OG1 3.22Å; Q345-T348 PolarHBondContact O-OG1 3.15Å; Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.22Å; Q345-S349 PolarHBondContact O-OG 2.92Å
346R93.3Very high90.8Very high187 Ų187110 Ų11071%0.70652%0.515SS*.Hα-helixtrans-67.1-40.3173.9-76.9178.1174.5-176.3-2.1112K342 E343 Q344 S349 R350K342-R346 WeakPolarHBondContact O-CG 3.48Å; K342-R346 PolarHBondContact O-N 3.2Å; E343-R346 PolarHBondContact O-N 3.4Å; Q344-R346 PolarHBondContact O-N 2.84Å; R346-S349 PolarHBondContact O-OG 3.22Å; R346-R350 VanDerWaalsContact O-CB 3.22Å; R346-R350 WeakPolarHBondContact O-CB 3.47Å; R346-R350 PolarHBondContact O-N 3.39Å
347L93.8Very high91Very high118 Ų118111.4 Ų111.462%0.61852%0.522SS*.Hα-helixtrans-67.3-40.1176.4-70.3172.2000111.2E343 Q344 R351E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.25Å; Q344-L347 PolarHBondContact O-N 2.65Å; L347-R351 VanDerWaalsContact O-CB 3.27Å; L347-R351 WeakPolarHBondContact O-CB 3.24Å; L347-R351 PolarHBondContact O-N 3.36Å
348T93.3Very high91.1Very high76 Ų76110.3 Ų110.347%0.46652%0.519SS..Hα-helixtrans-68.6-41.8176.357.20000112Q344 Q345 R351 Q352Q344-T348 WeakPolarHBondContact O-CG2 3.41Å; Q344-T348 PolarHBondContact O-N 2.91Å; Q344-T348 PolarHBondContact O-OG1 3.36Å; Q345-T348 WeakPolarHBondContact CA-OG1 3.22Å; Q345-T348 PolarHBondContact O-OG1 3.15Å; T348-R351 PolarHBondContact O-N 2.98Å; T348-Q352 WeakPolarHBondContact O-CG 3.48Å; T348-Q352 PolarHBondContact O-N 3.3Å
349S94Very high91.1Very high57 Ų57113.4 Ų113.440%0.39953%0.529SS..Hα-helixtrans-65-42.8176.870.80000111.7Q345 R346 R351 Q352 T353Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.22Å; Q345-S349 PolarHBondContact O-OG 2.92Å; R346-S349 PolarHBondContact O-OG 3.22Å; S349-R351 VanDerWaalsContact C-N 3.31Å; S349-R351 PolarHBondContact O-N 2.83Å; S349-Q352 WeakPolarHBondContact O-CB 3.24Å; S349-Q352 PolarHBondContact O-N 3.08Å; S349-T353 WeakPolarHBondContact O-CG2 3.49Å; S349-T353 PolarHBondContact O-N 3.35Å; S349-T353 PolarHBondContact O-OG1 2.84Å
350R93.8Very high91Very high159 Ų159117.4 Ų117.460%0.655%0.545SS*.Hα-helixtrans-60-41172.6-176.7178.2173.5165.75.8111.9R346 Q352 T353 E354R346-R350 VanDerWaalsContact O-CB 3.22Å; R346-R350 WeakPolarHBondContact O-CB 3.47Å; R346-R350 PolarHBondContact O-N 3.39Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.93Å; R350-T353 WeakPolarHBondContact CA-OG1 3.12Å; R350-T353 PolarHBondContact O-N 3.39Å; R350-T353 PolarHBondContact O-OG1 3.21Å; R350-E354 WeakPolarHBondContact CG-OE1 3.31Å; R350-E354 IonicContact CZ-OE1 2.82Å; R350-E354 IonicContact NE-OE1 2.73Å; R350-E354 PolarHBondContact NE-OE1 2.91Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 VanDerWaalsContact O-CG 3.26Å; R350-E354 WeakPolarHBondContact O-CG 3.41Å; R350-E354 PolarHBondContact O-N 3.45Å
351R92.9Very high91Very high170 Ų170116 Ų11664%0.64254%0.54SS*.Hα-helixtrans-65.6-37.6176.4-166.8175.8-173.2166.21.8112L347 T348 S349 Q355L347-R351 VanDerWaalsContact O-CB 3.27Å; L347-R351 WeakPolarHBondContact O-CB 3.24Å; L347-R351 PolarHBondContact O-N 3.36Å; T348-R351 PolarHBondContact O-N 2.98Å; S349-R351 VanDerWaalsContact C-N 3.31Å; S349-R351 PolarHBondContact O-N 2.83Å; R351-Q355 WeakPolarHBondContact O-CB 3.35Å; R351-Q355 VanDerWaalsContact O-CG 3.23Å; R351-Q355 WeakPolarHBondContact O-CG 3.12Å; R351-Q355 PolarHBondContact O-N 3.39Å
352Q91.9Very high90.9Very high113 Ų113116.1 Ų116.153%0.52854%0.541SS..Hα-helixtrans-67-42175.4-73.7173.9-300111.8T348 S349 R350 Q355 Q356T348-Q352 WeakPolarHBondContact O-CG 3.48Å; T348-Q352 PolarHBondContact O-N 3.3Å; S349-Q352 WeakPolarHBondContact O-CB 3.24Å; S349-Q352 PolarHBondContact O-N 3.08Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.93Å; Q352-Q355 PolarHBondContact O-N 2.89Å; Q352-Q356 WeakPolarHBondContact O-CG 3.4Å; Q352-Q356 PolarHBondContact O-N 2.98Å
353T91.5Very high90.9Very high65 Ų65120.1 Ų120.140%0.39955%0.552SS.*Hα-helixtrans-67.3-40.2176.256.40000111.6S349 R350 Q355 Q356 Q357S349-T353 WeakPolarHBondContact O-CG2 3.49Å; S349-T353 PolarHBondContact O-N 3.35Å; S349-T353 PolarHBondContact O-OG1 2.84Å; R350-T353 WeakPolarHBondContact CA-OG1 3.12Å; R350-T353 PolarHBondContact O-N 3.39Å; R350-T353 PolarHBondContact O-OG1 3.21Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 PolarHBondContact O-N 2.88Å; T353-Q356 PolarHBondContact O-N 3.48Å; T353-Q357 VanDerWaalsContact O-CG 3.3Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.05Å
354E90.2Very high91Very high79 Ų79118 Ų11837%0.36955%0.551SS.*Hα-helixtrans-60.2-41.7172.5-75.1170.3-17200111.7R350 Q357 Q358R350-E354 WeakPolarHBondContact CG-OE1 3.31Å; R350-E354 IonicContact CZ-OE1 2.82Å; R350-E354 IonicContact NE-OE1 2.73Å; R350-E354 PolarHBondContact NE-OE1 2.91Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 VanDerWaalsContact O-CG 3.26Å; R350-E354 WeakPolarHBondContact O-CG 3.41Å; R350-E354 PolarHBondContact O-N 3.45Å; E354-Q357 PolarHBondContact O-N 3.35Å; E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.96Å
355Q88.8Confident91.1Very high103 Ų103116.8 Ų116.848%0.48155%0.546SS..Hα-helixtrans-63-41.8174.5-76.6172.1-7.800112.4R351 Q352 T353 Q357 Q358 L359R351-Q355 WeakPolarHBondContact O-CB 3.35Å; R351-Q355 VanDerWaalsContact O-CG 3.23Å; R351-Q355 WeakPolarHBondContact O-CG 3.12Å; R351-Q355 PolarHBondContact O-N 3.39Å; Q352-Q355 PolarHBondContact O-N 2.89Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 PolarHBondContact O-N 2.88Å; Q355-Q357 VanDerWaalsContact C-N 3.34Å; Q355-Q358 WeakPolarHBondContact O-CB 3.48Å; Q355-Q358 PolarHBondContact O-N 2.9Å; Q355-L359 PolarHBondContact O-N 2.94Å
356Q88.4Confident91.2Very high116 Ų116118.5 Ų118.554%0.54255%0.552SS.*Hα-helixtrans-65-39.2174.9-70.4172.98.300111.5Q352 T353 Q358 L359 F360Q352-Q356 WeakPolarHBondContact O-CG 3.4Å; Q352-Q356 PolarHBondContact O-N 2.98Å; T353-Q356 PolarHBondContact O-N 3.48Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.49Å; Q356-L359 WeakPolarHBondContact O-CB 3.49Å; Q356-L359 PolarHBondContact O-N 3.31Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; Q356-F360 VanDerWaalsContact O-CD2 3.22Å; Q356-F360 WeakPolarHBondContact O-CD2 3.48Å
357Q88.3Confident91.3Very high116 Ų116111.8 Ų111.854%0.54254%0.537SS..Hα-helixtrans-63.2-35.5175.4-73.5174.98.500112.6T353 E354 Q355 L359 F360 Q361T353-Q357 VanDerWaalsContact O-CG 3.3Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.05Å; E354-Q357 PolarHBondContact O-N 3.35Å; Q355-Q357 VanDerWaalsContact C-N 3.34Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.1Å; Q357-F360 PolarHBondContact O-N 3.34Å; Q357-Q361 PolarHBondContact O-N 2.91Å
358Q87.1Confident91.4Very high112 Ų112108.4 Ų108.452%0.52352%0.523SS..Hα-helixtrans-62.2-31.3174.2-71.8169.53.600112.7E354 Q355 Q356 F360 Q361 L362E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.96Å; Q355-Q358 WeakPolarHBondContact O-CB 3.48Å; Q355-Q358 PolarHBondContact O-N 2.9Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.49Å; Q358-F360 VanDerWaalsContact C-N 3.29Å; Q358-F360 PolarHBondContact O-N 3.27Å; Q358-Q361 WeakPolarHBondContact O-CB 3.27Å; Q358-Q361 PolarHBondContact O-N 3.43Å; Q358-Q361 VanDerWaalsContact O-N 3.1Å; Q358-L362 PolarHBondContact O-N 3.49Å
359L87.5Confident91.6Very high111 Ų111108.4 Ų108.458%0.58152%0.519SS*.Hα-helixtrans-62.1-37.9176.3-62.5174.5000111.8Q355 Q356 Q357 Q361 L362Q355-L359 PolarHBondContact O-N 2.94Å; Q356-L359 WeakPolarHBondContact O-CB 3.49Å; Q356-L359 PolarHBondContact O-N 3.31Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.1Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.97Å; L359-L362 HydrophobicContact CB-CD1 4.46Å; L359-L362 HydrophobicContact CD2-CD1 3.94Å; L359-L362 VanDerWaalsContact O-CB 3.3Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 WeakPolarHBondContact O-CD1 3.46Å; L359-L362 VanDerWaalsContact O-CG 3.24Å; L359-L362 WeakPolarHBondContact O-CG 3.37Å; L359-L362 PolarHBondContact O-N 3.12Å
360F87.6Confident91.8Very high177 Ų177113.5 Ų113.578%0.77653%0.53SS*.Hα-helixtrans-70.6-23.6176.9-62.9-75.9000112.8Q356 Q357 Q358 L362Q356-F360 VanDerWaalsContact O-CD2 3.22Å; Q356-F360 WeakPolarHBondContact O-CD2 3.48Å; Q357-F360 PolarHBondContact O-N 3.34Å; Q358-F360 VanDerWaalsContact C-N 3.29Å; Q358-F360 PolarHBondContact O-N 3.27Å; F360-L362 VanDerWaalsContact C-N 3.31Å
361Q89.2Confident91.9Very high100 Ų100111.2 Ų111.247%0.46753%0.526SS..Hα-helixtrans-79.8-10.3174.7-60.5179.81200113Q357 Q358 L359 R363 S364 I365Q357-Q361 PolarHBondContact O-N 2.91Å; Q358-Q361 WeakPolarHBondContact O-CB 3.27Å; Q358-Q361 PolarHBondContact O-N 3.43Å; Q358-Q361 VanDerWaalsContact O-N 3.1Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.97Å; Q361-R363 PolarHBondContact O-N 3.47Å; Q361-R363 VanDerWaalsContact O-N 3.14Å; Q361-S364 PolarHBondContact O-N 3.5Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.9Å; Q361-I365 HydrophobicContact CB-CD1 3.99Å; Q361-I365 HydrophobicContact CB-CG1 4.45Å; Q361-I365 WeakPolarHBondContact O-CB 3.17Å; Q361-I365 VanDerWaalsContact O-CG1 3.27Å; Q361-I365 WeakPolarHBondContact O-CG1 3.41Å; Q361-I365 PolarHBondContact O-N 3.22Å
362L89.4Confident92.1Very high102 Ų102109 Ų10953%0.53452%0.523SS..Hα-helixtrans-57.4-34.8-178-68.7175.2000112.8Q358 L359 F360 K366Q358-L362 PolarHBondContact O-N 3.49Å; L359-L362 HydrophobicContact CB-CD1 4.46Å; L359-L362 HydrophobicContact CD2-CD1 3.94Å; L359-L362 VanDerWaalsContact O-CB 3.3Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 WeakPolarHBondContact O-CD1 3.46Å; L359-L362 VanDerWaalsContact O-CG 3.24Å; L359-L362 WeakPolarHBondContact O-CG 3.37Å; L359-L362 PolarHBondContact O-N 3.12Å; F360-L362 VanDerWaalsContact C-N 3.31Å; L362-K366 VanDerWaalsContact O-CB 3.24Å; L362-K366 WeakPolarHBondContact O-CB 3.48Å; L362-K366 PolarHBondContact O-N 2.91Å
363R91.1Very high92.4Very high220 Ų220108.1 Ų108.183%0.8352%0.518SS*.Hα-helixtrans-69-42.2178.4-165.4169.292.8144.61.9112.2Q361 K366 A367Q361-R363 PolarHBondContact O-N 3.47Å; Q361-R363 VanDerWaalsContact O-N 3.14Å; R363-K366 PolarHBondContact O-N 3.35Å; R363-A367 WeakPolarHBondContact O-CB 3.34Å; R363-A367 PolarHBondContact O-N 3.5Å
364S94.3Very high92.7Very high73 Ų73109.5 Ų109.551%0.5152%0.52SS..Hα-helixtrans-70.9-38.4177.661.10000111.3Q361 A367 S368Q361-S364 PolarHBondContact O-N 3.5Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.9Å; S364-A367 PolarHBondContact O-N 3.04Å; S364-S368 WeakPolarHBondContact O-CB 3.42Å; S364-S368 PolarHBondContact O-N 3.39Å
365I93Very high93Very high71 Ų71112 Ų11236%0.36453%0.53SS..Hα-helixtrans-62.1-46.6173.1-66.5166.2000110.3Q361 A367 S368 I369Q361-I365 HydrophobicContact CB-CD1 3.99Å; Q361-I365 HydrophobicContact CB-CG1 4.45Å; Q361-I365 WeakPolarHBondContact O-CB 3.17Å; Q361-I365 VanDerWaalsContact O-CG1 3.27Å; Q361-I365 WeakPolarHBondContact O-CG1 3.41Å; Q361-I365 PolarHBondContact O-N 3.22Å; I365-A367 VanDerWaalsContact C-N 3.34Å; I365-A367 PolarHBondContact O-N 3.22Å; I365-S368 PolarHBondContact O-N 2.78Å; I365-S368 PolarHBondContact O-OG 3.04Å; I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.31Å; I365-I369 WeakPolarHBondContact O-CB 3.4Å; I365-I369 VanDerWaalsContact O-CG1 3.23Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.91Å
366K95.5Very high93.4Very high163 Ų163110.5 Ų110.571%0.70953%0.528SS*.Hα-helixtrans-61.3-42.1176.8-173.7177.5-178178.20111.9L362 R363 R370L362-K366 VanDerWaalsContact O-CB 3.24Å; L362-K366 WeakPolarHBondContact O-CB 3.48Å; L362-K366 PolarHBondContact O-N 2.91Å; R363-K366 PolarHBondContact O-N 3.35Å; K366-R370 WeakPolarHBondContact O-CB 3.49Å; K366-R370 PolarHBondContact O-N 2.83Å
367A95.8Very high93.9Very high47 Ų47110.7 Ų110.739%0.38853%0.527SS..Hα-helixtrans-64.9-41.717600000111.9R363 S364 I365 R370 Q371R363-A367 WeakPolarHBondContact O-CB 3.34Å; R363-A367 PolarHBondContact O-N 3.5Å; S364-A367 PolarHBondContact O-N 3.04Å; I365-A367 VanDerWaalsContact C-N 3.34Å; I365-A367 PolarHBondContact O-N 3.22Å; A367-R370 PolarHBondContact O-N 3.29Å; A367-Q371 WeakPolarHBondContact O-CG 3.25Å; A367-Q371 PolarHBondContact O-N 3.41Å
368S96.8Very high94.3Very high47 Ų47107.9 Ų107.933%0.32952%0.52SS..Hα-helixtrans-66.9-42.2178.285.50000111.7S364 I365 R370 Q371 Q372S364-S368 WeakPolarHBondContact O-CB 3.42Å; S364-S368 PolarHBondContact O-N 3.39Å; I365-S368 PolarHBondContact O-N 2.78Å; I365-S368 PolarHBondContact O-OG 3.04Å; S368-R370 PolarHBondContact O-N 2.9Å; S368-Q371 PolarHBondContact O-N 3.05Å; S368-Q372 WeakPolarHBondContact O-CB 3.31Å; S368-Q372 VanDerWaalsContact O-CG 3.28Å; S368-Q372 WeakPolarHBondContact O-CG 3.42Å; S368-Q372 PolarHBondContact O-N 3.14Å
369I97.3Very high94.8Very high75 Ų75109.6 Ų109.639%0.38553%0.526SS..Hα-helixtrans-59-48.1174-69.7167.7000109.7I365 Q371 Q372 E373I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.31Å; I365-I369 WeakPolarHBondContact O-CB 3.4Å; I365-I369 VanDerWaalsContact O-CG1 3.23Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.91Å; I369-Q371 PolarHBondContact O-N 2.86Å; I369-Q372 PolarHBondContact O-N 3.4Å; I369-E373 HydrophobicContact CG2-CG 4.34Å; I369-E373 WeakPolarHBondContact O-CB 3.28Å; I369-E373 WeakPolarHBondContact O-CG 3.3Å; I369-E373 PolarHBondContact O-N 3.43Å
370R97.3Very high95.2Very high165 Ų165108.8 Ų108.862%0.62352%0.519SS*.Hα-helixtrans-59.4-45.9178.4-175.7178.6174.4168.34.6112.2K366 A367 S368 Q372 E373 E374K366-R370 WeakPolarHBondContact O-CB 3.49Å; K366-R370 PolarHBondContact O-N 2.83Å; A367-R370 PolarHBondContact O-N 3.29Å; S368-R370 PolarHBondContact O-N 2.9Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.98Å; R370-E373 PolarHBondContact O-N 3.4Å; R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 3.01Å; R370-E374 PolarHBondContact NE-OE1 2.83Å; R370-E374 IonicContact NH2-OE1 3.86Å; R370-E374 WeakPolarHBondContact O-CB 3.48Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.36Å
371Q97.2Very high95.7Very high110 Ų110106 Ų10651%0.51451%0.51SS..Hα-helixtrans-63.4-39.6176.5-72.3178.74.700112.2A367 S368 I369 E374 K375A367-Q371 WeakPolarHBondContact O-CG 3.25Å; A367-Q371 PolarHBondContact O-N 3.41Å; S368-Q371 PolarHBondContact O-N 3.05Å; I369-Q371 PolarHBondContact O-N 2.86Å; Q371-E374 PolarHBondContact O-N 3.09Å; Q371-K375 WeakPolarHBondContact O-CB 3.49Å; Q371-K375 VanDerWaalsContact O-CG 3.27Å; Q371-K375 WeakPolarHBondContact O-CG 3.45Å; Q371-K375 PolarHBondContact O-N 3.15Å
372Q97.1Very high96.1Very high124 Ų124107.8 Ų107.858%0.57952%0.519SS*.Hα-helixtrans-64.6-42.3175.3-75.1178.1-0.400111.4S368 I369 R370 K375 T376S368-Q372 WeakPolarHBondContact O-CB 3.31Å; S368-Q372 VanDerWaalsContact O-CG 3.28Å; S368-Q372 WeakPolarHBondContact O-CG 3.42Å; S368-Q372 PolarHBondContact O-N 3.14Å; I369-Q372 PolarHBondContact O-N 3.4Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.98Å; Q372-K375 PolarHBondContact O-N 3.47Å; Q372-T376 VanDerWaalsContact O-CB 3.28Å; Q372-T376 WeakPolarHBondContact O-CB 3.27Å; Q372-T376 PolarHBondContact O-N 3.2Å; Q372-T376 PolarHBondContact O-OG1 3.42Å
373E97.5Very high96.4Very high94 Ų94111.2 Ų111.244%0.43952%0.524SS..Hα-helixtrans-63-45.6175.2-75.3-178.2-171.900111.9I369 R370 T376 K377I369-E373 HydrophobicContact CG2-CG 4.34Å; I369-E373 WeakPolarHBondContact O-CB 3.28Å; I369-E373 WeakPolarHBondContact O-CG 3.3Å; I369-E373 PolarHBondContact O-N 3.43Å; R370-E373 PolarHBondContact O-N 3.4Å; E373-T376 PolarHBondContact O-N 3.27Å; E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.22Å; E373-K377 PolarHBondContact O-N 2.98Å; E373-K377 IonicContact OE2-NZ 3.86Å
374E97.4Very high96.7Very high94 Ų94107.4 Ų107.444%0.43951%0.51SS..Hα-helixtrans-61.3-45.8177.2-75.2171.2-171.100111.4R370 Q371 T376 K377 S378R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 3.01Å; R370-E374 PolarHBondContact NE-OE1 2.83Å; R370-E374 IonicContact NH2-OE1 3.86Å; R370-E374 WeakPolarHBondContact O-CB 3.48Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.36Å; Q371-E374 PolarHBondContact O-N 3.09Å; E374-T376 VanDerWaalsContact C-N 3.31Å; E374-T376 PolarHBondContact O-N 3.29Å; E374-K377 PolarHBondContact O-N 3.18Å; E374-S378 PolarHBondContact O-N 3.19Å; E374-S378 PolarHBondContact O-OG 3Å
375K97.4Very high96.8Very high131 Ų131106.4 Ų106.457%0.5751%0.506SS*.Hα-helixtrans-62-37.2173.6-73.4174.5-177.1177.40112.5Q371 Q372 S378 K379Q371-K375 WeakPolarHBondContact O-CB 3.49Å; Q371-K375 VanDerWaalsContact O-CG 3.27Å; Q371-K375 WeakPolarHBondContact O-CG 3.45Å; Q371-K375 PolarHBondContact O-N 3.15Å; Q372-K375 PolarHBondContact O-N 3.47Å; K375-S378 PolarHBondContact O-OG 3.34Å; K375-K379 WeakPolarHBondContact O-CB 3.34Å; K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.01Å; K375-K379 VanDerWaalsContact O-N 3.13Å
376T97.2Very high96.9Very high72 Ų72109.8 Ų109.844%0.44252%0.518SS..Hα-helixtrans-71.3-42.7178.8-580000110.5Q372 E373 E374 K379 Q380Q372-T376 VanDerWaalsContact O-CB 3.28Å; Q372-T376 WeakPolarHBondContact O-CB 3.27Å; Q372-T376 PolarHBondContact O-N 3.2Å; Q372-T376 PolarHBondContact O-OG1 3.42Å; E373-T376 PolarHBondContact O-N 3.27Å; E374-T376 VanDerWaalsContact C-N 3.31Å; E374-T376 PolarHBondContact O-N 3.29Å; T376-K379 PolarHBondContact O-N 3.44Å; T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 VanDerWaalsContact O-CG 3.29Å; T376-Q380 WeakPolarHBondContact O-CG 3.38Å; T376-Q380 PolarHBondContact O-N 3.43Å
377K97.6Very high96.7Very high121 Ų121106.5 Ų106.553%0.52651%0.505SS..Hα-helixtrans-60.4-47.3174.9-74.2168.6-176.7169.30111.1E373 E374 K379 Q380 M381E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.22Å; E373-K377 PolarHBondContact O-N 2.98Å; E373-K377 IonicContact OE2-NZ 3.86Å; E374-K377 PolarHBondContact O-N 3.18Å; K377-K379 PolarHBondContact O-N 3.35Å; K377-Q380 PolarHBondContact O-N 3.44Å; K377-M381 WeakPolarHBondContact O-CG 3.49Å; K377-M381 PolarHBondContact O-N 3.07Å
378S97.2Very high96.5Very high57 Ų57110 Ų11040%0.39951%0.514SS..Hα-helixtrans-62.6-43.8178.6680000112.3E374 K375 Q380 M381 Q382E374-S378 PolarHBondContact O-N 3.19Å; E374-S378 PolarHBondContact O-OG 3Å; K375-S378 PolarHBondContact O-OG 3.34Å; S378-Q380 VanDerWaalsContact C-N 3.35Å; S378-Q380 PolarHBondContact O-N 2.96Å; S378-M381 PolarHBondContact O-N 3.18Å; S378-Q382 WeakPolarHBondContact O-CG 3.49Å; S378-Q382 PolarHBondContact O-N 3.29Å
379K97Very high96.3Very high147 Ų147109.8 Ų109.864%0.63952%0.515SS*.Hα-helixtrans-62.3-39.1173.8-74.5178.1-179.2-1780112.7K375 T376 K377 R383K375-K379 WeakPolarHBondContact O-CB 3.34Å; K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.01Å; K375-K379 VanDerWaalsContact O-N 3.13Å; T376-K379 PolarHBondContact O-N 3.44Å; K377-K379 PolarHBondContact O-N 3.35Å; K379-R383 VanDerWaalsContact O-CB 3.31Å; K379-R383 WeakPolarHBondContact O-CB 3.36Å; K379-R383 PolarHBondContact O-N 3.24Å
380Q97.3Very high96Very high95 Ų95110.2 Ų110.244%0.44452%0.515SS..Hα-helixtrans-63.8-44175.2-76.3-178.72300111.5T376 K377 S378 R383 R384T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 VanDerWaalsContact O-CG 3.29Å; T376-Q380 WeakPolarHBondContact O-CG 3.38Å; T376-Q380 PolarHBondContact O-N 3.43Å; K377-Q380 PolarHBondContact O-N 3.44Å; S378-Q380 VanDerWaalsContact C-N 3.35Å; S378-Q380 PolarHBondContact O-N 2.96Å; Q380-R383 PolarHBondContact O-N 2.98Å; Q380-R384 WeakPolarHBondContact O-CG 3.25Å; Q380-R384 PolarHBondContact O-N 3.44Å
381M97.4Very high95.5Very high119 Ų119107.5 Ų107.559%0.58651%0.508SS*.Hα-helixtrans-61.8-46.9176.3-69.8-59.3-69.400111.7K377 S378 R383 R384 A385K377-M381 WeakPolarHBondContact O-CG 3.49Å; K377-M381 PolarHBondContact O-N 3.07Å; S378-M381 PolarHBondContact O-N 3.18Å; M381-R383 VanDerWaalsContact C-N 3.31Å; M381-R383 PolarHBondContact O-N 2.93Å; M381-R384 PolarHBondContact O-N 3.12Å; M381-A385 WeakPolarHBondContact O-CB 3.29Å; M381-A385 PolarHBondContact O-N 3.33Å
382Q97.2Very high95.2Very high137 Ų137105.9 Ų105.964%0.6451%0.505SS*.Hα-helixtrans-60-40.7175.1-72177.6000112.2S378 A385 K386S378-Q382 WeakPolarHBondContact O-CG 3.49Å; S378-Q382 PolarHBondContact O-N 3.29Å; Q382-A385 PolarHBondContact O-N 3.01Å; Q382-K386 VanDerWaalsContact O-CB 3.31Å; Q382-K386 WeakPolarHBondContact O-CB 3.17Å; Q382-K386 PolarHBondContact O-N 3.24Å
383R96.8Very high94.9Very high174 Ų174105.6 Ų105.666%0.65750%0.504SS*.Hα-helixtrans-64.5-41.6176.9-175.7178.3177.2-179.11111.7K379 Q380 M381 K386 Q387K379-R383 VanDerWaalsContact O-CB 3.31Å; K379-R383 WeakPolarHBondContact O-CB 3.36Å; K379-R383 PolarHBondContact O-N 3.24Å; Q380-R383 PolarHBondContact O-N 2.98Å; M381-R383 VanDerWaalsContact C-N 3.31Å; M381-R383 PolarHBondContact O-N 2.93Å; R383-K386 PolarHBondContact O-N 3.15Å; R383-Q387 WeakPolarHBondContact O-CB 3.42Å; R383-Q387 VanDerWaalsContact O-CG 3.27Å; R383-Q387 WeakPolarHBondContact O-CG 3.27Å; R383-Q387 PolarHBondContact O-N 3.33Å
384R96.3Very high94.7Very high139 Ų139103.6 Ų103.653%0.52550%0.499SS..Hα-helixtrans-63.5-50175.9-72.5175.3-177.3-179.42111Q380 M381 K386 Q387 E388Q380-R384 WeakPolarHBondContact O-CG 3.25Å; Q380-R384 PolarHBondContact O-N 3.44Å; M381-R384 PolarHBondContact O-N 3.12Å; R384-K386 VanDerWaalsContact C-N 3.3Å; R384-K386 PolarHBondContact O-N 3.32Å; R384-Q387 WeakPolarHBondContact O-CA 3.42Å; R384-Q387 WeakPolarHBondContact O-CB 3.49Å; R384-Q387 PolarHBondContact O-N 3.4Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.12Å
385A95.9Very high94.4Very high53 Ų53105.3 Ų105.344%0.43850%0.502SS..Hα-helixtrans-57.6-42.4176.400000112M381 Q382 Q387 E388 A389M381-A385 WeakPolarHBondContact O-CB 3.29Å; M381-A385 PolarHBondContact O-N 3.33Å; Q382-A385 PolarHBondContact O-N 3.01Å; A385-Q387 PolarHBondContact O-N 3.1Å; A385-E388 PolarHBondContact O-N 2.94Å; A385-A389 WeakPolarHBondContact O-CB 3.23Å; A385-A389 PolarHBondContact O-N 3.22Å
386K95.6Very high94.2Very high141 Ų141106.9 Ų106.961%0.61350%0.504SS*.Hα-helixtrans-65.9-37.3175.7-167.4179-177.71720112.4Q382 R383 R384 Q390Q382-K386 VanDerWaalsContact O-CB 3.31Å; Q382-K386 WeakPolarHBondContact O-CB 3.17Å; Q382-K386 PolarHBondContact O-N 3.24Å; R383-K386 PolarHBondContact O-N 3.15Å; R384-K386 VanDerWaalsContact C-N 3.3Å; R384-K386 PolarHBondContact O-N 3.32Å; K386-Q390 WeakPolarHBondContact O-CB 3.3Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 3.28Å
387Q92Very high93.9Very high94 Ų94107.5 Ų107.544%0.43950%0.504SS..Hα-helixtrans-66.3-39.4175.2-77.7175.9-1.400111.8R383 R384 A385 Q390 K391R383-Q387 WeakPolarHBondContact O-CB 3.42Å; R383-Q387 VanDerWaalsContact O-CG 3.27Å; R383-Q387 WeakPolarHBondContact O-CG 3.27Å; R383-Q387 PolarHBondContact O-N 3.33Å; R384-Q387 WeakPolarHBondContact O-CA 3.42Å; R384-Q387 WeakPolarHBondContact O-CB 3.49Å; R384-Q387 PolarHBondContact O-N 3.4Å; A385-Q387 PolarHBondContact O-N 3.1Å; Q387-Q390 PolarHBondContact O-N 3.01Å; Q387-K391 WeakPolarHBondContact O-CG 3.44Å; Q387-K391 PolarHBondContact O-N 3.42Å
388E91.7Very high93.6Very high121 Ų121102.7 Ų102.757%0.56549%0.489SS*.Hα-helixtrans-66.1-47.3175.2-72167.4-175.400111.3R384 A385 Q390 K391R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.12Å; A385-E388 PolarHBondContact O-N 2.94Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.06Å; E388-K391 WeakPolarHBondContact O-CB 3.27Å; E388-K391 PolarHBondContact O-N 2.85Å
389A91.9Very high93.4Very high42 Ų42108.7 Ų108.735%0.34751%0.508SS..Hα-helixtrans-58.3-39.9174.500000112.3A385 K391 V392 Q393A385-A389 WeakPolarHBondContact O-CB 3.23Å; A385-A389 PolarHBondContact O-N 3.22Å; A389-K391 PolarHBondContact O-N 2.87Å; A389-V392 PolarHBondContact O-N 2.87Å; A389-Q393 WeakPolarHBondContact O-CG 3.14Å; A389-Q393 PolarHBondContact O-N 2.67Å
390Q90.2Very high93.3Very high84 Ų84104.4 Ų104.439%0.39349%0.491SS..Hα-helixtrans-67.1-17.6176.2-79.8177.133.600114.7K386 Q387 E388K386-Q390 WeakPolarHBondContact O-CB 3.3Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 3.28Å; Q387-Q390 PolarHBondContact O-N 3.01Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.06Å
391K88.2Confident93.2Very high108 Ų108107 Ų10747%0.4750%0.501SS..Hα-helixtrans-77.4-27174.1-70.9173.6-177.3178.60112V228 Q387 E388 A389V228-K391 HydrophobicContact CG2-CB 4.06Å; V228-K391 HydrophobicContact CG2-CD 4.47Å; Q387-K391 WeakPolarHBondContact O-CG 3.44Å; Q387-K391 PolarHBondContact O-N 3.42Å; E388-K391 WeakPolarHBondContact O-CB 3.27Å; E388-K391 PolarHBondContact O-N 2.85Å; A389-K391 PolarHBondContact O-N 2.87Å
392V89.8Confident93.1Very high76 Ų76103.1 Ų103.146%0.46148%0.481SS..Hα-helixtrans-88.2-37.2178.8-177.30000110.6L229 A389L229-V392 WeakPolarHBondContact CD1-O 3.27Å; L229-V392 HydrophobicContact CD2-CG1 3.82Å; A389-V392 PolarHBondContact O-N 2.87Å
393Q90.9Very high92.9Very high119 Ų119103.3 Ų103.356%0.55648%0.482SS*.SBendtrans-74.1143.3-178-69.8177.62.300112.9A389 R395A389-Q393 WeakPolarHBondContact O-CG 3.14Å; A389-Q393 PolarHBondContact O-N 2.67Å; Q393-R395 PolarHBondContact O-N 2.89Å
394P92.9Very high92.7Very high52 Ų5298.5 Ų98.534%0.33848%0.479SS..PPolyproline II helixtrans-65134.717427.3-33.4000110.6F402 K438P394-F402 HydrophobicContact CB-CB 4.09Å; P394-F402 HydrophobicContact CB-CD1 3.95Å; P394-F402 HydrophobicContact CB-CG 4.1Å; P394-F402 HydrophobicContact CG-CB 4.38Å; P394-F402 HydrophobicContact CG-CD1 3.67Å; P394-F402 HydrophobicContact CG-CE1 4.34Å; P394-F402 HydrophobicContact CG-CG 4.28Å; P394-K438 HydrophobicContact CB-CG 4.49Å
395R91.4Very high92.5Very high129 Ų12995.3 Ų95.349%0.48748%0.477SS..PPolyproline II helixtrans-91.7150.8179.6-65.3-178177.9-172.81110.5Q393 L397 N440Q393-R395 PolarHBondContact O-N 2.89Å; R395-L397 PolarHBondContact O-N 3.29Å; R395-N440 PolarHBondContact N-OD1 3.14Å
396R92.9Very high92.3Very high165 Ų16597.3 Ų97.362%0.62348%0.48SS*.  trans-81.597.8171.3-173.1178.6-177.1-1733.5109.7G398 K399R396-G398 VanDerWaalsContact CG-O 3.23Å; R396-G398 WeakPolarHBondContact CG-O 3.46Å; R396-G398 PolarHBondContact NE-O 2.8Å; R396-K399 PolarHBondContact NE-O 3.19Å; R396-K399 PolarHBondContact NH2-O 2.88Å
397L91.7Very high92.1Very high85 Ų8593.8 Ų93.845%0.44547%0.468SS..  trans-81-33177.2-64.9178.7000113R395 N440 E443R395-L397 PolarHBondContact O-N 3.29Å; L397-N440 HydrophobicContact CD1-CB 4.21Å; L397-E443 HydrophobicContact CB-CB 3.72Å; L397-E443 HydrophobicContact CD1-CB 4.27Å
398G91.6Very high92Very high20 Ų2093.3 Ų93.321%0.20647%0.468CS..SBendtrans-132.7-161.3-176.500000114R396R396-G398 VanDerWaalsContact CG-O 3.23Å; R396-G398 WeakPolarHBondContact CG-O 3.46Å; R396-G398 PolarHBondContact NE-O 2.8Å
399K93.8Very high92Very high183 Ų18388.7 Ų88.780%0.79645%0.448SS*.SBendtrans-62.1-45.4179.2-176.6-178.8176.8-174.40111.6R396R396-K399 PolarHBondContact NE-O 3.19Å; R396-K399 PolarHBondContact NH2-O 2.88Å
400L94.6Very high92Very high56 Ų5687.6 Ų87.629%0.29344%0.436SS..SBendtrans-79.4142.6-177.8-59.9176.5000111P444 E446L400-P444 HydrophobicContact CB-CB 4.16Å; L400-E446 HydrophobicContact CD1-CB 4.23Å; L400-E446 HydrophobicContact CD1-CG 3.72Å
401K95.1Very high92.1Very high149 Ų14988 Ų8865%0.64844%0.44SS*.PPolyproline II helixtrans-82.8150.9171.6-64.8-179.6-177176.10108.9Q403K401-Q403 PolarHBondContact O-N 3.47Å
402F95.4Very high92.3Very high39 Ų3986.6 Ų86.617%0.17144%0.444CS..PPolyproline II helixtrans-63.3131.3170.2173.7-103.6000109.2P394 A404 K434 Q437 K438 P444P394-F402 HydrophobicContact CB-CB 4.09Å; P394-F402 HydrophobicContact CB-CD1 3.95Å; P394-F402 HydrophobicContact CB-CG 4.1Å; P394-F402 HydrophobicContact CG-CB 4.38Å; P394-F402 HydrophobicContact CG-CD1 3.67Å; P394-F402 HydrophobicContact CG-CE1 4.34Å; P394-F402 HydrophobicContact CG-CG 4.28Å; F402-A404 HydrophobicContact CE1-CB 4.2Å; F402-K434 HydrophobicContact CE2-CB 4.44Å; F402-K434 HydrophobicContact CE2-CD 3.95Å; F402-Q437 HydrophobicContact CD2-CB 3.65Å; F402-Q437 HydrophobicContact CE2-CB 3.82Å; F402-K438 HydrophobicContact CE1-CB 4.37Å; F402-K438 HydrophobicContact CE1-CG 4.22Å; F402-K438 HydrophobicContact CE2-CB 4.16Å; F402-K438 HydrophobicContact CZ-CB 3.89Å; F402-K438 HydrophobicContact CZ-CD 4.48Å; F402-K438 HydrophobicContact CZ-CG 4.18Å; F402-P444 HydrophobicContact CB-CG 4.1Å
403Q93.2Very high92.4Very high141 Ų14190.6 Ų90.666%0.65946%0.463SS*.  trans-110.2121.5172.1-69.4172.5-14.100107.2K401 K434K401-Q403 PolarHBondContact O-N 3.47Å; Q403-K434 PolarHBondContact O-NZ 3.31Å
404A92.2Very high92.4Very high72 Ų7289.8 Ų89.860%0.59546%0.459SS*.PPolyproline II helixtrans-61.6140.3174.100000109.4F402F402-A404 HydrophobicContact CE1-CB 4.2Å
405P92.3Very high92.4Very high72 Ų7290.1 Ų90.147%0.46846%0.458SS..PPolyproline II helixtrans-65.8160.5167.731.5-33.4000110.1K434P405-K434 HydrophobicContact CB-CG 4.33Å; P405-K434 HydrophobicContact CG-CB 4.31Å; P405-K434 HydrophobicContact CG-CG 4.27Å
406D90.8Very high92.2Very high95 Ų9584.9 Ų84.951%0.50844%0.442SS..PPolyproline II helixtrans-69.2154.1172-56.2-27000109.6K262 D408K262-D406 VanDerWaalsContact NZ-CG 3.34Å; K262-D406 IonicContact NZ-OD1 2.65Å; K262-D406 PolarHBondContact NZ-OD1 3.05Å; K262-D406 IonicContact NZ-OD2 2.65Å; D406-D408 PolarHBondContact O-N 3.48Å
407L91Very high91.9Very high68 Ų6880.6 Ų80.636%0.35645%0.449SS..PPolyproline II helixtrans-76.8123.8177.5-68.3174.3000108.9E254 A255 V409E254-L407 HydrophobicContact CB-CD1 4.39Å; E254-L407 HydrophobicContact CG-CD1 3.94Å; A255-L407 HydrophobicContact CB-CB 4.31Å; A255-L407 HydrophobicContact CB-CD1 4.19Å; L407-V409 HydrophobicContact CB-CG2 3.99Å; L407-V409 PolarHBondContact O-N 3.39Å
408D90.6Very high91.8Very high84 Ų8478.9 Ų78.945%0.44944%0.444SS..  trans-77.8104.5174.3-62.3-33.4000108.2D406 G426D406-D408 PolarHBondContact O-N 3.48Å; D408-G426 WeakPolarHBondContact OD2-CA 3.5Å
409V92Very high91.8Very high23 Ų2384 Ų8414%0.13947%0.466CS..  trans-140.1132.3-175.9-178.10000110.7L251 L252 A255 L407L251-V409 HydrophobicContact CD2-CB 3.95Å; L251-V409 HydrophobicContact CD2-CG1 3.57Å; L251-V409 HydrophobicContact CD2-CG2 3.31Å; L251-V409 HydrophobicContact CG-CG1 4.44Å; L251-V409 HydrophobicContact CG-CG2 3.78Å; L252-V409 HydrophobicContact CD2-CG1 3.54Å; L252-V409 HydrophobicContact CG-CG1 3.98Å; A255-V409 HydrophobicContact CB-CG2 4.28Å; L407-V409 HydrophobicContact CB-CG2 3.99Å; L407-V409 PolarHBondContact O-N 3.39Å
410Q91.8Very high91.7Very high20 Ų2086.6 Ų86.69%0.09347%0.471CS..  trans-76.9137172.2-66.1-171.6-33.800111.5H248 E414 L415 E425H248-Q410 PolarHBondContact NE2-O 2.88Å; Q410-E414 HydrophobicContact CB-CB 4.49Å; Q410-L415 HydrophobicContact CB-CD2 4.15Å; Q410-L415 HydrophobicContact CB-CG 4.49Å; Q410-E425 WeakPolarHBondContact CG-OE1 3.46Å
411L93Very high91.6Very high92 Ų9290.3 Ų90.348%0.48249%0.487SS..  trans-70.7162.2170.4-61176.8000111.3L252 D413 E414 L415L252-L411 HydrophobicContact CD2-CD2 4.18Å; L411-D413 PolarHBondContact O-N 2.99Å; L411-E414 HydrophobicContact CB-CB 4.36Å; L411-E414 HydrophobicContact CB-CG 4.1Å; L411-E414 PolarHBondContact N-OE2 2.77Å; L411-E414 PolarHBondContact O-N 2.93Å; L411-L415 PolarHBondContact O-N 2.91Å; L411-L415 VanDerWaalsContact O-N 3.12Å
412S92.3Very high91.4Very high79 Ų7986 Ų8655%0.55247%0.471SS*.THydrogen-bonded Turntrans-56.2-35.5179.3-50.50000112.8E414S412-E414 VanDerWaalsContact C-N 3.33Å
413D92.1Very high91.2Very high160 Ų16091.9 Ų91.986%0.85650%0.496SS*.THydrogen-bonded Turntrans-78.3-18.7178.6-58.2-28.9000113L411L411-D413 PolarHBondContact O-N 2.99Å
414E90.8Very high91Very high102 Ų10290.6 Ų90.648%0.47750%0.5SS..THydrogen-bonded Turntrans-98.1-12.2-175.3-64.1175.3156.800112.8Q410 L411 S412 A416Q410-E414 HydrophobicContact CB-CB 4.49Å; L411-E414 HydrophobicContact CB-CB 4.36Å; L411-E414 HydrophobicContact CB-CG 4.1Å; L411-E414 PolarHBondContact N-OE2 2.77Å; L411-E414 PolarHBondContact O-N 2.93Å; S412-E414 VanDerWaalsContact C-N 3.33Å; E414-A416 PolarHBondContact O-N 3.17Å; E414-A416 VanDerWaalsContact O-N 3.12Å
415L91.4Very high90.8Very high59 Ų5991.4 Ų91.431%0.30949%0.491SS..  trans-59.1114.2174.3-79.5173.6000110.2P243 Q410 L411P243-L415 HydrophobicContact CG-CD1 4.45Å; P243-L415 HydrophobicContact CG-CD2 3.94Å; Q410-L415 HydrophobicContact CB-CD2 4.15Å; Q410-L415 HydrophobicContact CB-CG 4.49Å; L411-L415 PolarHBondContact O-N 2.91Å; L411-L415 VanDerWaalsContact O-N 3.12Å
416A87.4Confident90.6Very high18 Ų1890.4 Ų90.415%0.14949%0.494CS..  trans-82.7136.5-176.700000111.9Y241 E414 Q421Y241-A416 HydrophobicContact CE2-CB 3.86Å; Y241-A416 WeakPolarHBondContact CE2-O 3.21Å; Y241-A416 PolarHBondContact OH-O 2.88Å; E414-A416 PolarHBondContact O-N 3.17Å; E414-A416 VanDerWaalsContact O-N 3.12Å; A416-Q421 HydrophobicContact CB-CB 4.05Å
417G86.4Confident90.7Very high76 Ų7688.1 Ų88.178%0.78449%0.486SS*.SBendtrans-79.3-15176.600000115.1Y241Y241-G417 PolarHBondContact OH-O 3.15Å
418S90.6Very high90.7Very high49 Ų4991.2 Ų91.234%0.34350%0.501SS..SBendtrans-131.4147.4168-173.30000114.1Y241 R420 Q421 L422Y241-S418 WeakPolarHBondContact OH-CA 3.41Å; Y241-S418 PolarHBondContact OH-N 2.75Å; S418-R420 PolarHBondContact O-N 3.29Å; S418-R420 VanDerWaalsContact O-N 3.1Å; S418-R420 PolarHBondContact OG-N 3.19Å; S418-Q421 PolarHBondContact O-N 3.49Å; S418-L422 PolarHBondContact O-N 3.47Å
419L90.9Very high90.9Very high126 Ų12694 Ų9466%0.6652%0.515SS*.THydrogen-bonded Turntrans-55.8-26.5172.4-77.2173.2000113.1Y241 Q421 L422Y241-L419 HydrophobicContact CD1-CD2 3.4Å; Y241-L419 VanDerWaalsContact CD1-CD2 3.4Å; Y241-L419 HydrophobicContact CD1-CG 3.89Å; Y241-L419 HydrophobicContact CD2-CD2 4.16Å; Y241-L419 HydrophobicContact CE1-CD2 3.8Å; Y241-L419 HydrophobicContact CE1-CG 3.77Å; Y241-L419 HydrophobicContact CE2-CD2 4.46Å; Y241-L419 HydrophobicContact CG-CD2 3.63Å; Y241-L419 HydrophobicContact CG-CG 4.49Å; Y241-L419 VanDerWaalsContact CZ-N 3.31Å; Y241-L419 PolarHBondContact OH-N 3.25Å; L419-Q421 VanDerWaalsContact C-N 3.26Å; L419-Q421 PolarHBondContact O-N 2.86Å; L419-L422 PolarHBondContact O-N 3.44Å
420R92.4Very high90.9Very high239 Ų239100.2 Ų100.290%0.90254%0.54SS*.THydrogen-bonded Turntrans-70.4-24.3176.4-64.1-176.6-178.6-173.60.9112.9S418S418-R420 PolarHBondContact O-N 3.29Å; S418-R420 VanDerWaalsContact O-N 3.1Å; S418-R420 PolarHBondContact OG-N 3.19Å
421Q91.4Very high91Very high134 Ų134101.7 Ų101.763%0.62655%0.549SS*.THydrogen-bonded Turntrans-97.3-10.5179.4-66.3174.4-21.300112.2A416 S418 L419 K423A416-Q421 HydrophobicContact CB-CB 4.05Å; S418-Q421 PolarHBondContact O-N 3.49Å; L419-Q421 VanDerWaalsContact C-N 3.26Å; L419-Q421 PolarHBondContact O-N 2.86Å; Q421-K423 PolarHBondContact O-N 3.23Å
422L91.2Very high91Very high59 Ų59101.2 Ų101.231%0.30954%0.541SS..PPolyproline II helixtrans-59.9123177.5175.6145.1000109.7Y241 S418 L419 P424Y241-L422 HydrophobicContact CD2-CB 3.86Å; Y241-L422 HydrophobicContact CD2-CD1 3.25Å; Y241-L422 HydrophobicContact CD2-CG 4.1Å; Y241-L422 HydrophobicContact CE2-CB 4.08Å; Y241-L422 HydrophobicContact CE2-CD1 4.28Å; Y241-L422 HydrophobicContact CG-CD1 3.7Å; S418-L422 PolarHBondContact O-N 3.47Å; L419-L422 PolarHBondContact O-N 3.44Å; L422-P424 HydrophobicContact CD2-CB 4.43Å
423K90.9Very high91.1Very high161 Ų161101.9 Ų101.970%0.753%0.534SS*.PPolyproline II helixtrans-88.5120.1167.2-66.6178.3-175.8169.20107.4Q421 E425Q421-K423 PolarHBondContact O-N 3.23Å; K423-E425 PolarHBondContact O-N 2.79Å
424P90.1Very high91.2Very high115 Ų11596.4 Ų96.475%0.74750%0.502SS*.PPolyproline II helixtrans-68131.2177.327.5-33.2000109.8L422L422-P424 HydrophobicContact CD2-CB 4.43Å
425E87.1Confident91.4Very high88 Ų8891.9 Ų91.941%0.41148%0.482SS..  trans-108.1159179.2-68.9-179.2-179.700111.6Q410 K423Q410-E425 WeakPolarHBondContact CG-OE1 3.46Å; K423-E425 PolarHBondContact O-N 2.79Å
426G89.4Confident91.5Very high51 Ų5192.7 Ų92.753%0.52648%0.483SS..SBendtrans75.4180178.300000114.5D408D408-G426 WeakPolarHBondContact OD2-CA 3.5Å
427S91.7Very high91.9Very high47 Ų4792.3 Ų92.333%0.32948%0.478SS..  trans-134.9116.1176.5178.80000110.1L429 K430 D431S427-L429 PolarHBondContact O-N 3.27Å; S427-K430 WeakPolarHBondContact O-CB 3.44Å; S427-K430 PolarHBondContact O-N 3.06Å; S427-D431 PolarHBondContact O-N 3.05Å
428I91.6Very high92.2Very high134 Ų13491.4 Ų91.469%0.68745%0.453SS*.Hα-helixtrans-55.3-39.4179.7-59.1162.5000110.8K430 D431 R432I428-K430 PolarHBondContact O-N 2.77Å; I428-D431 PolarHBondContact O-N 3.44Å; I428-R432 HydrophobicContact CG2-CG 4.22Å; I428-R432 VanDerWaalsContact O-CG 3.29Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.26Å
429L93.8Very high92.4Very high142 Ų14290.6 Ų90.674%0.74344%0.442SS*.Hα-helixtrans-63.8-41.2178.3-66.4179000112.1S427 F433S427-L429 PolarHBondContact O-N 3.27Å; L429-F433 VanDerWaalsContact O-CB 3.22Å; L429-F433 WeakPolarHBondContact O-CB 3.32Å; L429-F433 PolarHBondContact O-N 2.95Å
430K92.9Very high92.5Very high153 Ų15385.3 Ų85.367%0.66542%0.415SS*.Hα-helixtrans-66.4-44.5176.8-67.6-177.2-174.9172.80110.6S427 I428 F433 K434S427-K430 WeakPolarHBondContact O-CB 3.44Å; S427-K430 PolarHBondContact O-N 3.06Å; I428-K430 PolarHBondContact O-N 2.77Å; K430-F433 PolarHBondContact O-N 2.89Å; K430-K434 WeakPolarHBondContact O-CB 3.46Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.33Å; K430-K434 PolarHBondContact O-N 2.97Å
431D93.3Very high92.5Very high51 Ų5178.2 Ų78.227%0.27339%0.394SS..Hα-helixtrans-59.2-51.2176.3169.547.9000111.6S427 I428 F433 K434 S435S427-D431 PolarHBondContact O-N 3.05Å; I428-D431 PolarHBondContact O-N 3.44Å; D431-F433 VanDerWaalsContact C-N 3.32Å; D431-F433 PolarHBondContact O-N 3.33Å; D431-K434 CarbonylContact O-C 3.53Å; D431-K434 PolarHBondContact O-N 3.01Å; D431-K434 VanDerWaalsContact O-N 3.17Å; D431-S435 WeakPolarHBondContact O-CB 3.49Å; D431-S435 PolarHBondContact O-N 3.44Å
432R93.6Very high92.7Very high82 Ų8275.2 Ų75.231%0.30938%0.382SS..Hα-helixtrans-60.1-41.6177-65.8-53.9111.8134.75.9112.5I428 S435 F436I428-R432 HydrophobicContact CG2-CG 4.22Å; I428-R432 VanDerWaalsContact O-CG 3.29Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.26Å; R432-S435 WeakPolarHBondContact O-CB 3.49Å; R432-S435 PolarHBondContact O-N 3.18Å; R432-F436 VanDerWaalsContact O-CD2 3.23Å; R432-F436 WeakPolarHBondContact O-CD2 3.34Å; R432-F436 WeakPolarHBondContact O-CG 3.28Å; R432-F436 PolarHBondContact O-N 3.39Å
433F94.2Very high92.8Very high93 Ų9375 Ų7541%0.40838%0.379SS..Hα-helixtrans-63.1-43.1177-177.7-113.4000111.8L429 K430 D431 F436 Q437L429-F433 VanDerWaalsContact O-CB 3.22Å; L429-F433 WeakPolarHBondContact O-CB 3.32Å; L429-F433 PolarHBondContact O-N 2.95Å; K430-F433 PolarHBondContact O-N 2.89Å; D431-F433 VanDerWaalsContact C-N 3.32Å; D431-F433 PolarHBondContact O-N 3.33Å; F433-F436 PolarHBondContact O-N 3.22Å; F433-Q437 WeakPolarHBondContact O-CG 3.24Å; F433-Q437 PolarHBondContact O-N 3.02Å
434K94.2Very high93.1Very high45 Ų4568 Ų6820%0.19635%0.35CS..Hα-helixtrans-68.2-36.8175.3-71.3-69.4-173.1169.80112.2F402 Q403 P405 K430 D431 F436 Q437 K438F402-K434 HydrophobicContact CE2-CB 4.44Å; F402-K434 HydrophobicContact CE2-CD 3.95Å; Q403-K434 PolarHBondContact O-NZ 3.31Å; P405-K434 HydrophobicContact CB-CG 4.33Å; P405-K434 HydrophobicContact CG-CB 4.31Å; P405-K434 HydrophobicContact CG-CG 4.27Å; K430-K434 WeakPolarHBondContact O-CB 3.46Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.33Å; K430-K434 PolarHBondContact O-N 2.97Å; D431-K434 CarbonylContact O-C 3.53Å; D431-K434 PolarHBondContact O-N 3.01Å; D431-K434 VanDerWaalsContact O-N 3.17Å; K434-F436 PolarHBondContact O-N 3.26Å; K434-Q437 WeakPolarHBondContact O-CB 3.44Å; K434-Q437 PolarHBondContact O-N 3.1Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; K434-K438 WeakPolarHBondContact O-CB 3.28Å; K434-K438 PolarHBondContact O-N 3.15Å
435S94.3Very high93.2Very high7 Ų770.9 Ų70.95%0.04935%0.346CS..Hα-helixtrans-59.6-43.2171.1163.10000111.8A231 D431 R432 Q437 K438 R439A231-S435 PolarHBondContact O-OG 3.4Å; D431-S435 WeakPolarHBondContact O-CB 3.49Å; D431-S435 PolarHBondContact O-N 3.44Å; R432-S435 WeakPolarHBondContact O-CB 3.49Å; R432-S435 PolarHBondContact O-N 3.18Å; S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.34Å; S435-K438 PolarHBondContact O-N 3.37Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.46Å; S435-R439 WeakPolarHBondContact O-CG 3.35Å; S435-R439 PolarHBondContact O-N 3.28Å; S435-R439 PolarHBondContact O-NE 3.01Å; S435-R439 PolarHBondContact OG-NE 3.39Å; S435-R439 PolarHBondContact OG-NH2 3.43Å; S435-R439 VanDerWaalsContact OG-NH2 3.08Å
436F94.4Very high93.4Very high77 Ų7773.9 Ų73.934%0.33836%0.36SS..Hα-helixtrans-63.2-36.2175-69.4-46.4000112.8R432 F433 K434 N440 L441 I442R432-F436 VanDerWaalsContact O-CD2 3.23Å; R432-F436 WeakPolarHBondContact O-CD2 3.34Å; R432-F436 WeakPolarHBondContact O-CG 3.28Å; R432-F436 PolarHBondContact O-N 3.39Å; F433-F436 PolarHBondContact O-N 3.22Å; K434-F436 PolarHBondContact O-N 3.26Å; F436-N440 PolarHBondContact O-N 2.97Å; F436-L441 HydrophobicContact CD1-CD2 4.03Å; F436-L441 HydrophobicContact CE1-CD2 4.41Å; F436-L441 PolarHBondContact O-N 3.34Å; F436-I442 HydrophobicContact CB-CB 4.32Å; F436-I442 HydrophobicContact CB-CD1 3.87Å; F436-I442 HydrophobicContact CB-CG1 4.11Å; F436-I442 HydrophobicContact CD2-CD1 4.13Å; F436-I442 HydrophobicContact CG-CD1 4.18Å; F436-I442 PolarHBondContact O-N 3.37Å
437Q94.8Very high93.5Very high9 Ų982.8 Ų82.84%0.04238%0.378CS..Hα-helixtrans-69.1-47.7174.6-66.4177.3-4.400111.9F402 F433 K434 S435 R439 N440 I442F402-Q437 HydrophobicContact CD2-CB 3.65Å; F402-Q437 HydrophobicContact CE2-CB 3.82Å; F433-Q437 WeakPolarHBondContact O-CG 3.24Å; F433-Q437 PolarHBondContact O-N 3.02Å; K434-Q437 WeakPolarHBondContact O-CB 3.44Å; K434-Q437 PolarHBondContact O-N 3.1Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.34Å; Q437-R439 VanDerWaalsContact C-N 3.25Å; Q437-R439 PolarHBondContact O-N 3.1Å; Q437-N440 PolarHBondContact O-N 3.35Å; Q437-I442 WeakPolarHBondContact CA-O 3.22Å
438K94.1Very high93.5Very high58 Ų5885 Ų8525%0.25240%0.399SS..Hα-helixtrans-60.4-37179.4-163.7-179.5177.4-178.30111.6L229 E233 P394 F402 K434 S435 N440L229-K438 HydrophobicContact CD1-CD 3.98Å; L229-K438 HydrophobicContact CD1-CG 3.68Å; E233-K438 VanDerWaalsContact OE1-CD 3.26Å; E233-K438 WeakPolarHBondContact OE1-CD 3.34Å; E233-K438 WeakPolarHBondContact OE1-CE 3.27Å; E233-K438 IonicContact OE1-NZ 3.86Å; E233-K438 PolarHBondContact OE1-NZ 3.13Å; E233-K438 IonicContact OE2-NZ 2.64Å; E233-K438 PolarHBondContact OE2-NZ 2.77Å; P394-K438 HydrophobicContact CB-CG 4.49Å; F402-K438 HydrophobicContact CE1-CB 4.37Å; F402-K438 HydrophobicContact CE1-CG 4.22Å; F402-K438 HydrophobicContact CE2-CB 4.16Å; F402-K438 HydrophobicContact CZ-CB 3.89Å; F402-K438 HydrophobicContact CZ-CD 4.48Å; F402-K438 HydrophobicContact CZ-CG 4.18Å; K434-K438 WeakPolarHBondContact O-CB 3.28Å; K434-K438 PolarHBondContact O-N 3.15Å; S435-K438 PolarHBondContact O-N 3.37Å; K438-N440 PolarHBondContact O-N 3.33Å
439R93.8Very high93.6Very high32 Ų3287.2 Ų87.212%0.12140%0.404CS..THydrogen-bonded Turntrans-77.60.5175.3-73.2-173.4-71.9150.2-6.7115.1S227 L229 P230 S435 Q437 L441S227-R439 WeakPolarHBondContact CB-O 3.44Å; S227-R439 VanDerWaalsContact OG-C 3.31Å; S227-R439 WeakPolarHBondContact OG-CA 3.38Å; S227-R439 WeakPolarHBondContact OG-CB 3.48Å; S227-R439 PolarHBondContact OG-O 3.24Å; L229-R439 HydrophobicContact CB-CG 4.05Å; P230-R439 WeakPolarHBondContact O-CD 3.01Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.46Å; S435-R439 WeakPolarHBondContact O-CG 3.35Å; S435-R439 PolarHBondContact O-N 3.28Å; S435-R439 PolarHBondContact O-NE 3.01Å; S435-R439 PolarHBondContact OG-NE 3.39Å; S435-R439 PolarHBondContact OG-NH2 3.43Å; S435-R439 VanDerWaalsContact OG-NH2 3.08Å; Q437-R439 VanDerWaalsContact C-N 3.25Å; Q437-R439 PolarHBondContact O-N 3.1Å; R439-L441 VanDerWaalsContact C-N 3.27Å; R439-L441 HydrophobicContact CB-CD1 3.65Å; R439-L441 WeakPolarHBondContact O-CD1 3.22Å; R439-L441 PolarHBondContact O-N 2.83Å
440N93.8Very high93.3Very high14 Ų1489.1 Ų89.18%0.07541%0.406CS..THydrogen-bonded Turntrans61.728.8-178.6-48.6-50.5000114P226 R395 L397 F436 Q437 K438P226-N440 HydrophobicContact CB-CB 4.31Å; R395-N440 PolarHBondContact N-OD1 3.14Å; L397-N440 HydrophobicContact CD1-CB 4.21Å; F436-N440 PolarHBondContact O-N 2.97Å; Q437-N440 PolarHBondContact O-N 3.35Å; K438-N440 PolarHBondContact O-N 3.33Å
441L92.9Very high93.2Very high91 Ų9190.2 Ų90.248%0.47641%0.411SS..SBendtrans-85.5-38.6172.5-8873.4000111.1P226 F436 R439P226-L441 HydrophobicContact CG-CD1 3.72Å; P226-L441 HydrophobicContact CG-CG 4.5Å; F436-L441 HydrophobicContact CD1-CD2 4.03Å; F436-L441 HydrophobicContact CE1-CD2 4.41Å; F436-L441 PolarHBondContact O-N 3.34Å; R439-L441 VanDerWaalsContact C-N 3.27Å; R439-L441 HydrophobicContact CB-CD1 3.65Å; R439-L441 WeakPolarHBondContact O-CD1 3.22Å; R439-L441 PolarHBondContact O-N 2.83Å
442I94.4Very high93Very high70 Ų7095.5 Ų95.536%0.35943%0.427SS..SBendtrans-124.3140.8-179.5-61.3177.6000107.9F436 Q437F436-I442 HydrophobicContact CB-CB 4.32Å; F436-I442 HydrophobicContact CB-CD1 3.87Å; F436-I442 HydrophobicContact CB-CG1 4.11Å; F436-I442 HydrophobicContact CD2-CD1 4.13Å; F436-I442 HydrophobicContact CG-CD1 4.18Å; F436-I442 PolarHBondContact O-N 3.37Å; Q437-I442 WeakPolarHBondContact CA-O 3.22Å
443E94Very high93Very high55 Ų55101.4 Ų101.426%0.25746%0.455SS..  trans-79.8147.8173.960.1172.3-160.500112.3L397 R445L397-E443 HydrophobicContact CB-CB 3.72Å; L397-E443 HydrophobicContact CD1-CB 4.27Å; E443-R445 HydrophobicContact CG-CG 3.99Å; E443-R445 PolarHBondContact O-N 2.93Å; E443-R445 IonicContact OE1-CZ 3.93Å; E443-R445 IonicContact OE1-NE 3.01Å; E443-R445 PolarHBondContact OE1-NE 3.36Å; E443-R445 IonicContact OE1-NH2 2.69Å; E443-R445 PolarHBondContact OE1-NH2 3.14Å
444P95.9Very high93Very high14 Ų14103.5 Ų103.59%0.09147%0.47CS..  trans-60.3123.9169.9-22.633.7000111.3L400 F402L400-P444 HydrophobicContact CB-CB 4.16Å; F402-P444 HydrophobicContact CB-CG 4.1Å
445R92.5Very high93Very high176 Ų176111 Ų11166%0.66450%0.502SS*.  trans-136145.6179.5-70.5-178.6173.5174.61.6110.9E443E443-R445 HydrophobicContact CG-CG 3.99Å; E443-R445 PolarHBondContact O-N 2.93Å; E443-R445 IonicContact OE1-CZ 3.93Å; E443-R445 IonicContact OE1-NE 3.01Å; E443-R445 PolarHBondContact OE1-NE 3.36Å; E443-R445 IonicContact OE1-NH2 2.69Å; E443-R445 PolarHBondContact OE1-NH2 3.14Å
446E91.2Very high93Very high150 Ų150113.8 Ų113.870%0.70152%0.519SS*.PPolyproline II helixtrans-95151166-76167.9-157.900110.1L400 A448L400-E446 HydrophobicContact CD1-CB 4.23Å; L400-E446 HydrophobicContact CD1-CG 3.72Å; E446-A448 PolarHBondContact O-N 3Å; E446-A448 VanDerWaalsContact O-N 3.16Å
447R92.4Very high93Very high239 Ų239119.3 Ų119.390%0.90254%0.543SS*.PPolyproline II helixtrans-64.4118.2175.2-176.1173.9178.8155-1.1109K449R447-K449 PolarHBondContact O-N 3.32Å; R447-K449 VanDerWaalsContact O-N 3.17Å
448A91.6Very high93Very high94 Ų94128.6 Ų128.678%0.77758%0.579SS**PPolyproline II helixtrans-61.5119.4176.100000110E446 F450E446-A448 PolarHBondContact O-N 3Å; E446-A448 VanDerWaalsContact O-N 3.16Å; A448-F450 PolarHBondContact O-N 3.47Å
449K92.8Very high93Very high179 Ų179131.7 Ų131.778%0.77860%0.603SS**  trans-80.3112.2171.1-63.7-178.3-176.9178.30107.5R447 K451R447-K449 PolarHBondContact O-N 3.32Å; R447-K449 VanDerWaalsContact O-N 3.17Å; K449-K451 PolarHBondContact O-N 3.48Å
450F88.8Confident93Very high182 Ų182137 Ų13780%0.79863%0.629SS**  trans-71.693.4176.8-172.3-99.4000109.4A448 R452A448-F450 PolarHBondContact O-N 3.47Å; F450-R452 HydrophobicContact CE1-CG 3.92Å; F450-R452 HydrophobicContact CZ-CG 4.45Å
451K90.3Very high93Very high177 Ų177143.8 Ų143.877%0.7766%0.658SS**  trans-107.2122.5171.1-66.6-171.2177.5-1720108.2K449K449-K451 PolarHBondContact O-N 3.48Å
452R89.3Confident93Very high161 Ų161149.2 Ų149.261%0.60867%0.672SS**  trans-67.6134.7174.5-68.7-178.8173.1146.4-3.8108.8F450 L454F450-R452 HydrophobicContact CE1-CG 3.92Å; F450-R452 HydrophobicContact CZ-CG 4.45Å; R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 WeakPolarHBondContact CB-O 3.33Å; R452-L454 PolarHBondContact O-N 2.8Å
453K92.9Very high92.9Very high207 Ų207148.8 Ų148.890%0.968%0.679SS**SBendtrans-64.5-37.3176.8-175.3176.9179.1-179.10111.8
454L94.9Very high92.7Very high136 Ų136152.9 Ų152.971%0.71270%0.696SS**SBendtrans-113.3144.1-179.1-60.5176.3000110.2R452 V456R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 WeakPolarHBondContact CB-O 3.33Å; R452-L454 PolarHBondContact O-N 2.8Å; L454-V456 PolarHBondContact O-N 3.2Å
455K93.6Very high92.4Very high203 Ų203158.9 Ų158.988%0.88372%0.721SS**  trans-63.1132.2170.8-66.5-177.8179.1179.60108.7K457K455-K457 PolarHBondContact O-N 3.07Å
456V94.5Very high92.1Very high66 Ų66157.8 Ų157.840%0.472%0.723SS.*  trans-72.3121.9172.4174.20000107.8L454 Y458L454-V456 PolarHBondContact O-N 3.2Å; V456-Y458 HydrophobicContact CB-CE2 4.3Å; V456-Y458 HydrophobicContact CG1-CE1 4.43Å; V456-Y458 HydrophobicContact CG1-CE2 4.18Å; V456-Y458 PolarHBondContact O-N 3.18Å
457K94.6Very high91.9Very high192 Ų192157.5 Ų157.584%0.83573%0.725SS**  trans-79.3111.6171.6-66-174.7178-175.30107.6K455K455-K457 PolarHBondContact O-N 3.07Å
458Y93.9Very high90.7Very high204 Ų204154 Ų15480%0.873%0.73SS**  trans-79.9122.6167-65.5-85.5000107.2V456V456-Y458 HydrophobicContact CB-CE2 4.3Å; V456-Y458 HydrophobicContact CG1-CE1 4.43Å; V456-Y458 HydrophobicContact CG1-CE2 4.18Å; V456-Y458 PolarHBondContact O-N 3.18Å
459V94.5Very high90.7Very high124 Ų124157 Ų15775%0.75273%0.728SS**  trans-118.1127.8175.6-177.80000106.3K461V459-K461 PolarHBondContact O-N 3.31Å
460E93.9Very high90.6Very high143 Ų143155.8 Ų155.867%0.66873%0.725SS**  trans-60.4131.3171.6-69.6174.5176.100109.1
461K94.3Very high90.7Very high156 Ų156154.4 Ų154.468%0.67872%0.721SS**  trans-66.4140.9176.5-60.9177.3178.6177.50108.2V459 A463 F464 K465V459-K461 PolarHBondContact O-N 3.31Å; K461-A463 PolarHBondContact O-N 2.72Å; K461-A463 VanDerWaalsContact O-N 3.12Å; K461-F464 HydrophobicContact CB-CD2 4.12Å; K461-F464 HydrophobicContact CD-CE2 4.49Å; K461-F464 PolarHBondContact O-N 2.81Å; K461-K465 PolarHBondContact O-N 2.91Å
462R92.1Very high90.7Very high205 Ų205153.1 Ų153.177%0.77472%0.719SS**Hα-helixtrans-49.6-41.9-178-66.8-175.5178.9178.1-2.1113.1F464 K465 E466R462-F464 PolarHBondContact O-N 3.05Å; R462-K465 PolarHBondContact O-N 2.83Å; R462-K465 VanDerWaalsContact O-N 3.1Å; R462-E466 WeakPolarHBondContact O-CG 3.39Å; R462-E466 PolarHBondContact O-N 3Å
463A92.3Very high90.8Very high62 Ų62152.6 Ų152.651%0.51273%0.725SS.*Hα-helixtrans-57-31.5178.400000114.5K461 I467K461-A463 PolarHBondContact O-N 2.72Å; K461-A463 VanDerWaalsContact O-N 3.12Å; A463-I467 WeakPolarHBondContact O-CD1 3.25Å; A463-I467 VanDerWaalsContact O-CG1 3.3Å; A463-I467 WeakPolarHBondContact O-CG1 3.48Å
464F90.6Very high90.6Very high141 Ų141148.9 Ų148.962%0.61871%0.714SS**Hα-helixtrans-85.7-34.6176.4-69.7-84.1000111.8K461 R462 E466 I467 T468K461-F464 HydrophobicContact CB-CD2 4.12Å; K461-F464 HydrophobicContact CD-CE2 4.49Å; K461-F464 PolarHBondContact O-N 2.81Å; R462-F464 PolarHBondContact O-N 3.05Å; F464-E466 PolarHBondContact O-N 2.91Å; F464-I467 PolarHBondContact O-N 3.07Å; F464-T468 PolarHBondContact O-OG1 2.89Å
465K90.4Very high90.3Very high140 Ų140149.9 Ų149.961%0.60971%0.714SS**Hα-helixtrans-65.3-24.9175.8-169.5177.7-179.4-177.50113.2K461 R462 T468K461-K465 PolarHBondContact O-N 2.91Å; R462-K465 PolarHBondContact O-N 2.83Å; R462-K465 VanDerWaalsContact O-N 3.1Å; K465-T468 VanDerWaalsContact O-OXT 3.05Å
466E85.6Confident90.1Very high152 Ų152145.8 Ų145.871%0.7170%0.701SS**THydrogen-bonded Turntrans-84.6-11.8178.7-72.3168.1-165.900113.2R462 F464R462-E466 WeakPolarHBondContact O-CG 3.39Å; R462-E466 PolarHBondContact O-N 3Å; F464-E466 PolarHBondContact O-N 2.91Å
467I87.3Confident89.7Confident144 Ų144152.4 Ų152.474%0.73873%0.726SS**THydrogen-bonded Turntrans-96-34.1-177.2-65.3169.1000112A463 F464A463-I467 WeakPolarHBondContact O-CD1 3.25Å; A463-I467 VanDerWaalsContact O-CG1 3.3Å; A463-I467 WeakPolarHBondContact O-CG1 3.48Å; F464-I467 PolarHBondContact O-N 3.07Å
468T66.9Low89.3Confident166 Ų166148.8 Ų148.8100%1.01872%0.716SS**  trans-89.70168.439.30000110.9F464 K465F464-T468 PolarHBondContact O-OG1 2.89Å; K465-T468 VanDerWaalsContact O-OXT 3.05Å

Retrieved 468 of 468 residues in 132.9 ms (Link to these results)