A0A087YS71_POEFO Loading...

SRY-box transcription factor 3

AlphaFold DB , UniProt , Accession A0A087YS71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 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
1M40.1Very low47.5Very low241 Ų241164.3 Ų164.3100%1.18781%0.808SS**  050.20-65.217917700111.6
2Y40.7Very low47.3Very low206 Ų206160.2 Ų160.281%0.80880%0.803SS**  trans-122.790.6169.6-82.6-79.7000107.4
3N45Very low46.8Very low131 Ų131159.5 Ų159.570%0.70180%0.802SS**  trans-148.647.2-179.3-136.84.6000112.1
4M55.8Low46.3Very low154 Ų154157.2 Ų157.276%0.75980%0.804SS**SBendtrans-124.610.3176.8-77.5-109.3-78.200113
5M58.6Low45.6Very low158 Ų158158.9 Ų158.978%0.77881%0.807SS**SBendtrans-115.66.5-17954.8-155.9-17600114.8
6E45.7Very low45.4Very low163 Ų163156.3 Ų156.376%0.76281%0.808SS**  trans-118.2-0.8179.1-78.5-173146.600115.5E8E6-E8 PolarHBondContact O-N 3.45Å
7T48.4Very low44.9Very low125 Ų125156 Ų15677%0.76781%0.808SS**SBendtrans-81.790.8171.952.40000110.6
8E42.7Very low44.7Very low165 Ų165153.9 Ų153.977%0.77181%0.81SS**  trans71.685.3154.3-52.3-149.7165.900118.5E6 K10E6-E8 PolarHBondContact O-N 3.45Å; E8-K10 VanDerWaalsContact C-N 3.29Å
9I49.7Very low44Very low170 Ų170149.7 Ų149.787%0.87281%0.807SS**  trans-94.567.6141.3-51.6-179.6000107.2
10K48.1Very low43.7Very low177 Ų177148.8 Ų148.877%0.7781%0.813SS**  trans-89.599.9161.8-162.5109.4177.9-171.10106.7E8 P12E8-K10 VanDerWaalsContact C-N 3.29Å; K10-P12 VanDerWaalsContact O-CD 3.3Å; K10-P12 WeakPolarHBondContact O-CD 3.38Å
11T47.9Very low43.4Very low117 Ų117146.3 Ų146.372%0.71881%0.812SS**PPolyproline II helixtrans-60.5118.2168.3-42.40000108L13T11-L13 PolarHBondContact O-N 3.36Å
12P44.5Very low43.7Very low115 Ų115141.3 Ų141.375%0.74780%0.798SS**PPolyproline II helixtrans-75.3129.5171.328.5-27.3000108.7K10K10-P12 VanDerWaalsContact O-CD 3.3Å; K10-P12 WeakPolarHBondContact O-CD 3.38Å
13L41Very low43.7Very low151 Ų151135.3 Ų135.379%0.79180%0.798SS**PPolyproline II helixtrans-52.3156.9167.5-84.6104.4000111.3T11 Q15T11-L13 PolarHBondContact O-N 3.36Å; L13-Q15 PolarHBondContact O-N 3.49Å
14P39.4Very low43.5Very low128 Ų128133.4 Ų133.483%0.83180%0.801SS**  trans-73.597.9174.931.6-30.6000108.9S16P14-S16 PolarHBondContact O-N 3.33Å
15Q37.1Very low42.8Very low182 Ų182135.4 Ų135.485%0.8581%0.805SS**  trans-79.6108.8164-86.6-177.7-23.100109L13 N17L13-Q15 PolarHBondContact O-N 3.49Å; Q15-N17 PolarHBondContact O-N 3.37Å
16S41.2Very low41.9Very low118 Ų118135.6 Ų135.683%0.82581%0.809SS**  trans-60108.9156.951.70000108.6P14P14-S16 PolarHBondContact O-N 3.33Å
17N37.5Very low42Very low151 Ų151134 Ų13481%0.80781%0.806SS**  trans-134.7100.6168.8-146.338.6000110.5Q15Q15-N17 PolarHBondContact O-N 3.37Å
18S41.3Very low42.3Very low119 Ų119131 Ų13183%0.83279%0.79SS**  trans-70.5125.1162.748.20000109.6
19G31.5Very low42.7Very low74 Ų74127.1 Ų127.176%0.76379%0.786SS**  trans173.782.9175.100000112.3
20S37.9Very low42.9Very low131 Ų131122.9 Ų122.992%0.91677%0.772SS**  trans-68.9139.9178.7-60.80000113.2
21A36.6Very low43.4Very low96 Ų96119.2 Ų119.279%0.79376%0.76SS**  trans-146.6144.6146.100000109.8
22P46.3Very low43.9Very low137 Ų137120.3 Ų120.389%0.8976%0.757SS**  trans-100.5147.1-148.136.4-30.4000112.9
23G40.8Very low45.6Very low79 Ų79123 Ų12381%0.81476%0.76SS**  trans140.462.1160.300000116.5
24A41.3Very low47.9Very low92 Ų92122.1 Ų122.176%0.7675%0.746SS**SBendtrans-161.295.3155.400000112.2
25K41.2Very low50.4Low196 Ų196118.4 Ų118.485%0.85272%0.721SS**  trans43.3100.2146.5-58.7-179.9-176.91770116.9N27K25-N27 VanDerWaalsContact C-N 3.27Å; K25-N27 PolarHBondContact O-N 2.7Å
26N40.3Very low53.2Low162 Ų162116.7 Ų116.787%0.86671%0.711SS**SBendtrans-56.973168.2-69.8-23.3000114
27N47.8Very low55.9Low129 Ų129118 Ų11869%0.6970%0.697SS**  trans-128.9-1.9160.6-94-27.3000112.2K25K25-N27 VanDerWaalsContact C-N 3.27Å; K25-N27 PolarHBondContact O-N 2.7Å
28S53.4Low58.8Low62 Ų62112.6 Ų112.643%0.43467%0.671SS.*Hα-helixtrans-80.9-24.3-175.550.40000113.6S30 D31 Q32S28-S30 PolarHBondContact O-N 3.48Å; S28-D31 PolarHBondContact O-N 3.18Å; S28-Q32 VanDerWaalsContact O-CG 3.31Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.02Å
29A51.8Low61.5Low83 Ų83110.1 Ų110.169%0.68665%0.647SS**Hα-helixtrans-63.7-41.7-172.700000113.2
30S54.8Low64.7Low82 Ų82110.8 Ų110.857%0.57363%0.633SS**Hα-helixtrans-78.4-24.8176.357.10000113.4S28S28-S30 PolarHBondContact O-N 3.48Å
31D58.1Low67.5Low99 Ų99105.3 Ų105.353%0.52960%0.596SS.*Hα-helixtrans-77.9-20.4175.1-91.2-15.3000112.8S28S28-D31 PolarHBondContact O-N 3.18Å
32Q59Low70.5Confident140 Ų140102.9 Ų102.965%0.65457%0.568SS**Hα-helixtrans-73.7-31172.8-65.2-49.4-14.200112.5S28 R34S28-Q32 VanDerWaalsContact O-CG 3.31Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.02Å; Q32-R34 VanDerWaalsContact C-N 3.31Å
33E80.3Confident72.9Confident172 Ų172100.3 Ų100.380%0.80455%0.545SS*.Hα-helixtrans-72.3-29.2176.3-171.1173.8-161.200111.6V35E33-V35 PolarHBondContact O-N 3.12Å
34R88Confident75.7Confident133 Ų13398 Ų9850%0.50251%0.514SS..SBendtrans-76.2113.1179.1-173.5-178.3176.8107.21.9111.4Q32 K36 R105Q32-R34 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 2.93Å; R34-K36 VanDerWaalsContact O-N 3.15Å; R34-R105 PolarHBondContact NH2-O 3.17Å
35V93.4Very high78.4Confident49 Ų4994.4 Ų94.430%0.29748%0.481SS..PPolyproline II helixtrans-54.1119.2169.3-178.90000111E33 H95 H99 Y102E33-V35 PolarHBondContact O-N 3.12Å; V35-H95 WeakPolarHBondContact CG1-CE1 3.31Å; V35-H99 HydrophobicContact CG1-CB 4.38Å; V35-Y102 HydrophobicContact CB-CD2 3.85Å; V35-Y102 HydrophobicContact CB-CE2 4.01Å; V35-Y102 HydrophobicContact CG1-CD2 3.48Å; V35-Y102 VanDerWaalsContact CG1-CD2 3.48Å; V35-Y102 HydrophobicContact CG1-CE2 3.72Å; V35-Y102 HydrophobicContact CG1-CG 4.47Å; V35-Y102 WeakPolarHBondContact O-CE2 3.46Å
36K95.5Very high81.1Confident146 Ų14685.1 Ų85.164%0.63544%0.441SS*.PPolyproline II helixtrans-76.3155178.3-72.7170.2-179.5158.60110.7R34 H95R34-K36 PolarHBondContact O-N 2.93Å; R34-K36 VanDerWaalsContact O-N 3.15Å; K36-H95 PolarHBondContact O-CE1 3.41Å; K36-H95 PolarHBondContact O-NE2 2.88Å
37R97.3Very high83.8Confident145 Ų14585.7 Ų85.755%0.54743%0.431SS..PPolyproline II helixtrans-67.5146.6176.1-61176.2-159.2-151.516.8110.5Y102 Y104R37-Y102 VanDerWaalsContact CG-OH 3.22Å; R37-Y102 WeakPolarHBondContact CG-OH 3.4Å; R37-Y104 VanDerWaalsContact NH1-CE2 3.29Å; R37-Y104 PolarHBondContact NH1-OH 3.01Å; R37-Y104 PolarHBondContact NH2-OH 3.46Å
38P97.7Very high86.1Confident39 Ų3981 Ų8125%0.25341%0.413SS..PPolyproline II helixtrans-64.6147.8167.228.4-32.8000109.9R92 H95P38-R92 HydrophobicContact CG-CB 4.48Å; P38-R92 HydrophobicContact CG-CG 4.47Å; P38-H95 HydrophobicContact CB-CB 4.01Å; P38-H95 HydrophobicContact CG-CB 4.18Å
39M98Very high88.2Confident66 Ų6681 Ų8133%0.32541%0.406SS..PPolyproline II helixtrans-70.6135.1179.4-70.8171.345.600110.7M43 V44 R47 L91M39-M43 HydrophobicContact CB-CB 4.01Å; M39-M43 HydrophobicContact CE-CB 4.18Å; M39-M43 WeakPolarHBondContact CE-O 3.2Å; M39-M43 HydrophobicContact CG-CB 4.27Å; M39-V44 HydrophobicContact CB-CG2 3.93Å; M39-V44 VanDerWaalsContact CE-CA 3.43Å; M39-V44 HydrophobicContact CE-CB 4.31Å; M39-V44 HydrophobicContact CE-CG2 4.01Å; M39-R47 HydrophobicContact CE-CB 4.45Å; M39-L91 HydrophobicContact CB-CD1 4.35Å
40N98.5Very high90.4Very high88 Ų8879.9 Ų79.947%0.47138%0.384SS..PPolyproline II helixtrans-78.8172170.17126.9000111.2F42 M43 V44N40-F42 PolarHBondContact O-N 3.43Å; N40-F42 PolarHBondContact OD1-N 3.43Å; N40-M43 PolarHBondContact O-N 3.13Å; N40-M43 WeakPolarHBondContact OD1-CB 3.46Å; N40-M43 VanDerWaalsContact OD1-CG 3.25Å; N40-M43 WeakPolarHBondContact OD1-CG 3.38Å; N40-M43 PolarHBondContact OD1-N 2.96Å; N40-V44 WeakPolarHBondContact O-CG2 2.85Å; N40-V44 PolarHBondContact O-N 2.99Å
41A97.9Very high92.5Very high17 Ų1784.9 Ų84.914%0.1439%0.39CS..Hα-helixtrans-54.3-47.2-176.200000113.4M43 V44 W45 W73 I85 A88A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 3.46Å; A41-V44 PolarHBondContact O-N 3.05Å; A41-W45 PolarHBondContact O-N 3.25Å; A41-W73 HydrophobicContact CB-CH2 4.15Å; A41-W73 HydrophobicContact CB-CZ2 4.11Å; A41-I85 HydrophobicContact CB-CB 4.48Å; A41-I85 HydrophobicContact CB-CG1 3.87Å; A41-A88 HydrophobicContact CB-CB 4.1Å; A41-A88 VanDerWaalsContact N-CB 3.29Å
42F98.4Very high94.3Very high45 Ų4585 Ų8520%0.19739%0.386CS..Hα-helixtrans-61.8-40.3176.5170.2-100.1000112.2N40 W45 S46 W73N40-F42 PolarHBondContact O-N 3.43Å; N40-F42 PolarHBondContact OD1-N 3.43Å; F42-W45 AromaticContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CZ3 4.03Å; F42-W45 HydrophobicContact CE2-CE3 4.04Å; F42-W45 AromaticContact CE2-CZ3 3.72Å; F42-W45 HydrophobicContact CE2-CZ3 3.72Å; F42-S46 WeakPolarHBondContact O-CB 3.45Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-S46 PolarHBondContact O-OG 3.09Å; F42-W73 HydrophobicContact CB-CD2 4.42Å; F42-W73 HydrophobicContact CD2-CB 3.76Å; F42-W73 AromaticContact CD2-CD1 3.93Å; F42-W73 AromaticContact CD2-CD2 3.95Å; F42-W73 HydrophobicContact CD2-CD2 3.95Å; F42-W73 AromaticContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CE2-CB 3.94Å; F42-W73 HydrophobicContact CE2-CG 4.26Å
43M98.4Very high96Very high82 Ų8279.6 Ų79.640%0.40436%0.361SS..Hα-helixtrans-67.2-37.9178.2-69.5-63.5174.400111.5M39 N40 A41 S46 R47M39-M43 HydrophobicContact CB-CB 4.01Å; M39-M43 HydrophobicContact CE-CB 4.18Å; M39-M43 WeakPolarHBondContact CE-O 3.2Å; M39-M43 HydrophobicContact CG-CB 4.27Å; N40-M43 PolarHBondContact O-N 3.13Å; N40-M43 WeakPolarHBondContact OD1-CB 3.46Å; N40-M43 VanDerWaalsContact OD1-CG 3.25Å; N40-M43 WeakPolarHBondContact OD1-CG 3.38Å; N40-M43 PolarHBondContact OD1-N 2.96Å; A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 3.46Å; M43-S46 PolarHBondContact O-OG 3.27Å; M43-R47 PolarHBondContact O-N 2.89Å
44V98.4Very high96.8Very high30 Ų3073.4 Ų73.418%0.18234%0.339CS..Hα-helixtrans-60.3-54173.8177.10000110.4M39 N40 A41 F84 E87 A88 L91M39-V44 HydrophobicContact CB-CG2 3.93Å; M39-V44 VanDerWaalsContact CE-CA 3.43Å; M39-V44 HydrophobicContact CE-CB 4.31Å; M39-V44 HydrophobicContact CE-CG2 4.01Å; N40-V44 WeakPolarHBondContact O-CG2 2.85Å; N40-V44 PolarHBondContact O-N 2.99Å; A41-V44 PolarHBondContact O-N 3.05Å; V44-F84 HydrophobicContact CG1-CD1 4.18Å; V44-E87 HydrophobicContact CG1-CB 4.31Å; V44-E87 HydrophobicContact CG1-CG 3.82Å; V44-A88 HydrophobicContact CG2-CB 4.31Å; V44-L91 HydrophobicContact CG2-CD1 3.74Å
45W98.3Very high97.2Very high18 Ų1874.6 Ų74.67%0.06835%0.351CS..Hα-helixtrans-63.3-49.1179.9169.681.8000113A41 F42 R47 G48 Q49 L69 D72 W73 L76 F84A41-W45 PolarHBondContact O-N 3.25Å; F42-W45 AromaticContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CZ3 4.03Å; F42-W45 HydrophobicContact CE2-CE3 4.04Å; F42-W45 AromaticContact CE2-CZ3 3.72Å; F42-W45 HydrophobicContact CE2-CZ3 3.72Å; W45-R47 PolarHBondContact O-N 2.91Å; W45-R47 VanDerWaalsContact O-N 3.13Å; W45-G48 PolarHBondContact O-N 3.06Å; W45-Q49 HydrophobicContact CD2-CG 4.16Å; W45-Q49 HydrophobicContact CH2-CG 4.39Å; W45-Q49 HydrophobicContact CZ2-CB 4.48Å; W45-Q49 HydrophobicContact CZ2-CG 3.77Å; W45-L69 HydrophobicContact CH2-CB 4.17Å; W45-L69 HydrophobicContact CH2-CD2 3.92Å; W45-L69 VanDerWaalsContact CH2-O 3.24Å; W45-L69 WeakPolarHBondContact CH2-O 3.41Å; W45-L69 HydrophobicContact CZ3-CB 3.97Å; W45-L69 HydrophobicContact CZ3-CD2 4.29Å; W45-L69 WeakPolarHBondContact CZ3-O 3.44Å; W45-D72 HydrophobicContact CH2-CB 3.87Å; W45-D72 HydrophobicContact CZ2-CB 4.22Å; W45-W73 HydrophobicContact CB-CE3 3.99Å; W45-W73 HydrophobicContact CB-CH2 4.41Å; W45-W73 HydrophobicContact CB-CZ3 3.54Å; W45-W73 AromaticContact CD2-CE3 3.44Å; W45-W73 HydrophobicContact CD2-CE3 3.44Å; W45-W73 VanDerWaalsContact CD2-CE3 3.44Å; W45-W73 AromaticContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CE3-CB 4.16Å; W45-W73 HydrophobicContact CE3-CD2 4.19Å; W45-W73 AromaticContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CE3 3.5Å; W45-W73 VanDerWaalsContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CG 4.49Å; W45-W73 HydrophobicContact CE3-CZ3 4.26Å; W45-W73 AromaticContact CG-CE3 3.67Å; W45-W73 HydrophobicContact CG-CE3 3.67Å; W45-W73 AromaticContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CH2-CB 4.04Å; W45-W73 HydrophobicContact CZ3-CB 3.69Å; W45-W73 HydrophobicContact CZ3-CE3 4.18Å; W45-W73 HydrophobicContact CZ3-CG 4.47Å; W45-L76 HydrophobicContact CD2-CD1 4.33Å; W45-L76 HydrophobicContact CZ2-CD1 3.87Å; W45-F84 HydrophobicContact CB-CB 4.22Å; W45-F84 HydrophobicContact CB-CD1 3.8Å; W45-F84 HydrophobicContact CB-CD2 4.13Å; W45-F84 HydrophobicContact CB-CE1 4.2Å; W45-F84 HydrophobicContact CB-CG 3.76Å; W45-F84 AromaticContact CD1-CD2 3.91Å; W45-F84 AromaticContact CD1-CE2 3.54Å; W45-F84 AromaticContact CD1-CZ 3.6Å; W45-F84 HydrophobicContact CG-CD2 4.33Å; W45-F84 HydrophobicContact CG-CE2 4.36Å; W45-F84 HydrophobicContact CG-CG 4.43Å; W45-F84 HydrophobicContact CG-CZ 4.47Å
46S98.1Very high97.3Very high0 Ų077.8 Ų77.80%036%0.362CS..Hα-helixtrans-66.7-17.7-174.9640000113.2F42 M43 R50F42-S46 WeakPolarHBondContact O-CB 3.45Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-S46 PolarHBondContact O-OG 3.09Å; M43-S46 PolarHBondContact O-OG 3.27Å; S46-R50 WeakPolarHBondContact O-CA 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 2.96Å
47R97.4Very high97.1Very high175 Ų17574 Ų7466%0.6635%0.349SS*.Hα-helixtrans-61.6-48.2178.2-167.3178.4-170-163.72.7111.9M39 M43 W45 R51M39-R47 HydrophobicContact CE-CB 4.45Å; M43-R47 PolarHBondContact O-N 2.89Å; W45-R47 PolarHBondContact O-N 2.91Å; W45-R47 VanDerWaalsContact O-N 3.13Å; R47-R51 PolarHBondContact O-N 3.48Å
48G96Very high96.9Very high30 Ų3072.3 Ų72.331%0.30936%0.357SS..Hα-helixtrans-69.8-46.2177.500000112W45 R50 R51 K52W45-G48 PolarHBondContact O-N 3.06Å; G48-R50 PolarHBondContact O-N 3Å; G48-R51 PolarHBondContact O-N 3.12Å; G48-K52 PolarHBondContact O-N 3.5Å
49Q97.6Very high96.8Very high62 Ų6280.6 Ų80.629%0.2939%0.389SS..Hα-helixtrans-65.6-41.1-177.8-58.9-55.1-35.200112.7W45 R51 K52 M53 L69W45-Q49 HydrophobicContact CD2-CG 4.16Å; W45-Q49 HydrophobicContact CH2-CG 4.39Å; W45-Q49 HydrophobicContact CZ2-CB 4.48Å; W45-Q49 HydrophobicContact CZ2-CG 3.77Å; Q49-R51 VanDerWaalsContact C-N 3.31Å; Q49-R51 PolarHBondContact O-N 3.35Å; Q49-K52 PolarHBondContact O-N 3.24Å; Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.49Å; Q49-L69 HydrophobicContact CB-CD1 4.43Å; Q49-L69 HydrophobicContact CB-CD2 3.4Å; Q49-L69 VanDerWaalsContact CB-CD2 3.4Å; Q49-L69 HydrophobicContact CG-CD2 4.43Å
50R97.7Very high96.6Very high60 Ų6079.2 Ų79.223%0.22638%0.382CS..Hα-helixtrans-59.4-42.1174.7-178.4-174.8-72.7117.84111.7S46 G48 A54 N62 I65 L69S46-R50 WeakPolarHBondContact O-CA 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 2.96Å; G48-R50 PolarHBondContact O-N 3Å; R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.26Å; R50-A54 PolarHBondContact O-N 3.41Å; R50-N62 WeakPolarHBondContact CD-ND2 3.3Å; R50-I65 HydrophobicContact CB-CG2 4.35Å; R50-I65 HydrophobicContact CG-CG2 3.98Å; R50-L69 HydrophobicContact CB-CD1 3.68Å; R50-L69 HydrophobicContact CG-CD1 4.47Å
51R97.6Very high96.5Very high186 Ų18681.6 Ų81.670%0.70239%0.39SS*.Hα-helixtrans-63.7-45.7177.7-178.9172.961.2-1580.8110.9R47 G48 Q49 A54 Q55R47-R51 PolarHBondContact O-N 3.48Å; G48-R51 PolarHBondContact O-N 3.12Å; Q49-R51 VanDerWaalsContact C-N 3.31Å; Q49-R51 PolarHBondContact O-N 3.35Å; R51-A54 PolarHBondContact O-N 2.92Å; R51-Q55 PolarHBondContact O-N 3.09Å
52K97Very high96.4Very high103 Ų10384.5 Ų84.545%0.44840%0.403SS..Hα-helixtrans-58.1-52.8175.9-178.8-179.8171.7-177.90111.6G48 Q49 A54 Q55 E56G48-K52 PolarHBondContact O-N 3.5Å; Q49-K52 PolarHBondContact O-N 3.24Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.82Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.12Å; K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 3.96Å; K52-E56 WeakPolarHBondContact O-CG 3.4Å; K52-E56 PolarHBondContact O-N 2.99Å
53M95.6Very high96.3Very high25 Ų2585.5 Ų85.512%0.12342%0.416CS..Hα-helixtrans-62.4-37.7-179.8-70.7-172.773.600113.3Q49 Q55 E56 N57 M60 I65 R68 L69Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.49Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; M53-E56 PolarHBondContact O-N 3.48Å; M53-N57 WeakPolarHBondContact O-CB 3.43Å; M53-N57 PolarHBondContact O-N 3.08Å; M53-M60 HydrophobicContact CE-SD 4.33Å; M53-I65 HydrophobicContact CB-CG2 3.93Å; M53-I65 HydrophobicContact CE-CG2 4.45Å; M53-I65 HydrophobicContact SD-CG2 3.94Å; M53-R68 HydrophobicContact CE-CB 3.91Å; M53-R68 HydrophobicContact CE-CG 4.43Å; M53-L69 HydrophobicContact SD-CD2 3.5Å; M53-L69 WeakPolarHBondContact SD-CD2 3.24Å; M53-L69 HydrophobicContact SD-CG 3.83Å
54A96.4Very high96.3Very high42 Ų4284.4 Ų84.435%0.34741%0.41SS..Hα-helixtrans-67.1-34.1176.900000112R50 R51 K52 N57 P58 I65R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.26Å; R50-A54 PolarHBondContact O-N 3.41Å; R51-A54 PolarHBondContact O-N 2.92Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.82Å; A54-N57 CarbonylContact O-C 3.34Å; A54-P58 VanDerWaalsContact O-CA 3.28Å; A54-P58 WeakPolarHBondContact O-CA 3.45Å; A54-I65 HydrophobicContact CB-CD1 4.01Å
55Q96.7Very high96.3Very high158 Ų15883.1 Ų83.174%0.73840%0.402SS*.Hα-helixtrans-72.1-41.3176.1-170.262.742.700112R51 K52 M53 N57R51-Q55 PolarHBondContact O-N 3.09Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.12Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; Q55-N57 VanDerWaalsContact C-N 3.34Å
56E94.9Very high96.2Very high116 Ų11684 Ų8454%0.54241%0.411SS..Hα-helixtrans-70.5-32177.5-69.2171.217800112.1K52 M53K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 3.96Å; K52-E56 WeakPolarHBondContact O-CG 3.4Å; K52-E56 PolarHBondContact O-N 2.99Å; M53-E56 PolarHBondContact O-N 3.48Å
57N91.3Very high96.3Very high67 Ų6790.4 Ų90.436%0.35844%0.439SS..  trans-130.872.6-177.3-61.7-94.8000110.8M53 A54 Q55 K59 M60M53-N57 WeakPolarHBondContact O-CB 3.43Å; M53-N57 PolarHBondContact O-N 3.08Å; A54-N57 CarbonylContact O-C 3.34Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 2.99Å; N57-K59 VanDerWaalsContact O-N 3.09Å; N57-M60 HydrophobicContact CB-CB 3.71Å; N57-M60 HydrophobicContact CB-CE 3.8Å; N57-M60 HydrophobicContact CB-SD 4.48Å; N57-M60 VanDerWaalsContact O-CB 3.31Å; N57-M60 WeakPolarHBondContact O-CB 3.41Å; N57-M60 PolarHBondContact O-N 3.18Å
58P93.3Very high96.3Very high110 Ų11087.3 Ų87.371%0.71443%0.427SS*.THydrogen-bonded Turntrans-64.7-19-174.624.5-34.3000114A54A54-P58 VanDerWaalsContact O-CA 3.28Å; A54-P58 WeakPolarHBondContact O-CA 3.45Å
59K95.4Very high96.4Very high212 Ų21285.9 Ų85.992%0.92241%0.413SS*.THydrogen-bonded Turntrans-86.9-10.9174.7-63.8-176.3179.4179.30113.4N57N57-K59 PolarHBondContact O-N 2.99Å; N57-K59 VanDerWaalsContact O-N 3.09Å
60M94.4Very high96.4Very high37 Ų3784.1 Ų84.118%0.18241%0.41CS..SBendtrans-77.5126.9-177.7-171.2-178.6-64.400110.5M53 N57 E64 I65 R68M53-M60 HydrophobicContact CE-SD 4.33Å; N57-M60 HydrophobicContact CB-CB 3.71Å; N57-M60 HydrophobicContact CB-CE 3.8Å; N57-M60 HydrophobicContact CB-SD 4.48Å; N57-M60 VanDerWaalsContact O-CB 3.31Å; N57-M60 WeakPolarHBondContact O-CB 3.41Å; N57-M60 PolarHBondContact O-N 3.18Å; M60-E64 HydrophobicContact CG-CB 4.02Å; M60-E64 HydrophobicContact CG-CG 3.98Å; M60-E64 HydrophobicContact SD-CG 4.08Å; M60-I65 HydrophobicContact CB-CG1 4.31Å; M60-I65 HydrophobicContact CG-CG1 3.82Å; M60-I65 HydrophobicContact SD-CG1 3.59Å; M60-I65 VanDerWaalsContact SD-CG1 3.59Å; M60-R68 VanDerWaalsContact CE-NH1 3.3Å
61H96.8Very high96.4Very high139 Ų13983.6 Ų83.664%0.64442%0.419SS*.  trans-71.8148.2179.5-164.356.9000112S63 E64 I65H61-S63 PolarHBondContact CD2-OG 3.34Å; H61-S63 VanDerWaalsContact CD2-OG 3.29Å; H61-S63 PolarHBondContact O-N 3.44Å; H61-E64 WeakPolarHBondContact O-CB 3.27Å; H61-E64 PolarHBondContact O-N 2.97Å; H61-I65 PolarHBondContact O-N 3.14Å; H61-I65 VanDerWaalsContact O-N 3.16Å
62N95Very high96.4Very high77 Ų7778.3 Ų78.341%0.41241%0.405SS..Hα-helixtrans-61.9-29.7-174.2-167.5-89.2000113.9R50 E64 I65 S66R50-N62 WeakPolarHBondContact CD-ND2 3.3Å; N62-E64 VanDerWaalsContact C-N 3.26Å; N62-E64 PolarHBondContact O-N 3.38Å; N62-I65 PolarHBondContact O-N 3.3Å; N62-S66 WeakPolarHBondContact O-CB 3.36Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 3.5Å; N62-S66 PolarHBondContact OD1-OG 2.72Å
63S97.3Very high96.5Very high66 Ų6675.4 Ų75.446%0.46239%0.391SS..Hα-helixtrans-62.3-36.517565.40000111.9H61 K67H61-S63 PolarHBondContact CD2-OG 3.34Å; H61-S63 VanDerWaalsContact CD2-OG 3.29Å; H61-S63 PolarHBondContact O-N 3.44Å; S63-K67 WeakPolarHBondContact O-CE 3.39Å; S63-K67 WeakPolarHBondContact O-CG 3.28Å; S63-K67 PolarHBondContact O-N 3.1Å; S63-K67 VanDerWaalsContact O-N 3.11Å
64E97.6Very high96.6Very high59 Ų5982.2 Ų82.228%0.27642%0.42SS..Hα-helixtrans-74.5-43.8177.4-175.456.6-154.600111.2M60 H61 N62 S66 K67 R68M60-E64 HydrophobicContact CG-CB 4.02Å; M60-E64 HydrophobicContact CG-CG 3.98Å; M60-E64 HydrophobicContact SD-CG 4.08Å; H61-E64 WeakPolarHBondContact O-CB 3.27Å; H61-E64 PolarHBondContact O-N 2.97Å; N62-E64 VanDerWaalsContact C-N 3.26Å; N62-E64 PolarHBondContact O-N 3.38Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.77Å; E64-K67 WeakPolarHBondContact O-CB 3.27Å; E64-K67 PolarHBondContact O-N 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.44Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-K67 PolarHBondContact OE2-NZ 3.27Å; E64-R68 PolarHBondContact O-N 2.8Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 IonicContact OE1-NE 3.08Å; E64-R68 PolarHBondContact OE1-NE 3.13Å; E64-R68 VanDerWaalsContact OE1-NE 3.08Å; E64-R68 IonicContact OE1-NH2 3.48Å; E64-R68 PolarHBondContact OE1-NH2 3Å
65I97.3Very high96.7Very high3 Ų387 Ų872%0.01544%0.439CS..Hα-helixtrans-56.2-47.2172.9-61.2173.6000110.1R50 M53 A54 M60 H61 N62 K67 R68 L69R50-I65 HydrophobicContact CB-CG2 4.35Å; R50-I65 HydrophobicContact CG-CG2 3.98Å; M53-I65 HydrophobicContact CB-CG2 3.93Å; M53-I65 HydrophobicContact CE-CG2 4.45Å; M53-I65 HydrophobicContact SD-CG2 3.94Å; A54-I65 HydrophobicContact CB-CD1 4.01Å; M60-I65 HydrophobicContact CB-CG1 4.31Å; M60-I65 HydrophobicContact CG-CG1 3.82Å; M60-I65 HydrophobicContact SD-CG1 3.59Å; M60-I65 VanDerWaalsContact SD-CG1 3.59Å; H61-I65 PolarHBondContact O-N 3.14Å; H61-I65 VanDerWaalsContact O-N 3.16Å; N62-I65 PolarHBondContact O-N 3.3Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 3.23Å; I65-R68 PolarHBondContact O-N 3.4Å; I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.28Å; I65-L69 WeakPolarHBondContact O-CG 3.21Å; I65-L69 PolarHBondContact O-N 2.94Å
66S97.9Very high96.7Very high37 Ų3781.1 Ų81.126%0.25941%0.413SS..Hα-helixtrans-65.4-34-179.1-62.80000112.8N62 E64 G70N62-S66 WeakPolarHBondContact O-CB 3.36Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 3.5Å; N62-S66 PolarHBondContact OD1-OG 2.72Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.77Å; S66-G70 PolarHBondContact O-N 2.94Å
67K98.3Very high96.9Very high134 Ų13479.3 Ų79.358%0.58341%0.41SS*.Hα-helixtrans-62.1-48.9172.8-85.6-177.1-92.8154.60111.5S63 E64 I65 G70 A71S63-K67 WeakPolarHBondContact O-CE 3.39Å; S63-K67 WeakPolarHBondContact O-CG 3.28Å; S63-K67 PolarHBondContact O-N 3.1Å; S63-K67 VanDerWaalsContact O-N 3.11Å; E64-K67 WeakPolarHBondContact O-CB 3.27Å; E64-K67 PolarHBondContact O-N 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.44Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-K67 PolarHBondContact OE2-NZ 3.27Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 3.23Å; K67-G70 PolarHBondContact O-N 3.49Å; K67-A71 PolarHBondContact O-N 3.24Å
68R97.9Very high97.2Very high110 Ų11082.3 Ų82.342%0.41543%0.425SS..Hα-helixtrans-63.6-47.7179.6-66.1177.8-173.4-155.93.2112.1M53 M60 E64 I65 G70 A71 D72M53-R68 HydrophobicContact CE-CB 3.91Å; M53-R68 HydrophobicContact CE-CG 4.43Å; M60-R68 VanDerWaalsContact CE-NH1 3.3Å; E64-R68 PolarHBondContact O-N 2.8Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 IonicContact OE1-NE 3.08Å; E64-R68 PolarHBondContact OE1-NE 3.13Å; E64-R68 VanDerWaalsContact OE1-NE 3.08Å; E64-R68 IonicContact OE1-NH2 3.48Å; E64-R68 PolarHBondContact OE1-NH2 3Å; I65-R68 PolarHBondContact O-N 3.4Å; R68-G70 PolarHBondContact O-N 2.98Å; R68-A71 WeakPolarHBondContact O-CA 3.39Å; R68-A71 WeakPolarHBondContact O-CB 3.47Å; R68-A71 PolarHBondContact O-N 2.96Å; R68-D72 PolarHBondContact O-N 3.23Å
69L98.1Very high97.4Very high1 Ų180.7 Ų80.71%0.00542%0.421CS..Hα-helixtrans-59-35.6175.6-67.6179.7000112.9W45 Q49 R50 M53 I65 A71 W73W45-L69 HydrophobicContact CH2-CB 4.17Å; W45-L69 HydrophobicContact CH2-CD2 3.92Å; W45-L69 VanDerWaalsContact CH2-O 3.24Å; W45-L69 WeakPolarHBondContact CH2-O 3.41Å; W45-L69 HydrophobicContact CZ3-CB 3.97Å; W45-L69 HydrophobicContact CZ3-CD2 4.29Å; W45-L69 WeakPolarHBondContact CZ3-O 3.44Å; Q49-L69 HydrophobicContact CB-CD1 4.43Å; Q49-L69 HydrophobicContact CB-CD2 3.4Å; Q49-L69 VanDerWaalsContact CB-CD2 3.4Å; Q49-L69 HydrophobicContact CG-CD2 4.43Å; R50-L69 HydrophobicContact CB-CD1 3.68Å; R50-L69 HydrophobicContact CG-CD1 4.47Å; M53-L69 HydrophobicContact SD-CD2 3.5Å; M53-L69 WeakPolarHBondContact SD-CD2 3.24Å; M53-L69 HydrophobicContact SD-CG 3.83Å; I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.28Å; I65-L69 WeakPolarHBondContact O-CG 3.21Å; I65-L69 PolarHBondContact O-N 2.94Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.2Å; L69-W73 PolarHBondContact O-N 3.28Å
70G98.3Very high97.5Very high24 Ų2475.1 Ų75.125%0.24740%0.399CS..Hα-helixtrans-64.6-34.3174.800000113.1S66 K67 R68 K74S66-G70 PolarHBondContact O-N 2.94Å; K67-G70 PolarHBondContact O-N 3.49Å; R68-G70 PolarHBondContact O-N 2.98Å; G70-K74 WeakPolarHBondContact O-CG 3.33Å
71A98.3Very high97.7Very high50 Ų5074.8 Ų74.841%0.41340%0.396SS..Hα-helixtrans-72.3-49.4174.100000111.1K67 R68 L69 W73 K74 L75K67-A71 PolarHBondContact O-N 3.24Å; R68-A71 WeakPolarHBondContact O-CA 3.39Å; R68-A71 WeakPolarHBondContact O-CB 3.47Å; R68-A71 PolarHBondContact O-N 2.96Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.31Å; A71-W73 VanDerWaalsContact C-N 3.29Å; A71-W73 PolarHBondContact O-N 2.95Å; A71-K74 WeakPolarHBondContact O-CB 2.98Å; A71-K74 PolarHBondContact O-N 3.28Å; A71-L75 PolarHBondContact O-N 3.26Å
72D97.8Very high97.8Very high74 Ų7476.2 Ų76.240%0.39640%0.396SS..Hα-helixtrans-58.1-41.9179.2-63.8-16.4000111.6W45 R68 K74 L75 L76W45-D72 HydrophobicContact CH2-CB 3.87Å; W45-D72 HydrophobicContact CZ2-CB 4.22Å; R68-D72 PolarHBondContact O-N 3.23Å; D72-K74 PolarHBondContact O-N 3.05Å; D72-L75 PolarHBondContact O-N 3.09Å; D72-L76 PolarHBondContact O-N 3.39Å; D72-L76 VanDerWaalsContact O-N 3.1Å
73W98.3Very high97.9Very high42 Ų4276.1 Ų76.116%0.15940%0.4CS..Hα-helixtrans-58.9-36175.7179.2-104.8000113A41 F42 W45 L69 A71 L75 L76 K81 F84A41-W73 HydrophobicContact CB-CH2 4.15Å; A41-W73 HydrophobicContact CB-CZ2 4.11Å; F42-W73 HydrophobicContact CB-CD2 4.42Å; F42-W73 HydrophobicContact CD2-CB 3.76Å; F42-W73 AromaticContact CD2-CD1 3.93Å; F42-W73 AromaticContact CD2-CD2 3.95Å; F42-W73 HydrophobicContact CD2-CD2 3.95Å; F42-W73 AromaticContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CE2-CB 3.94Å; F42-W73 HydrophobicContact CE2-CG 4.26Å; W45-W73 HydrophobicContact CB-CE3 3.99Å; W45-W73 HydrophobicContact CB-CH2 4.41Å; W45-W73 HydrophobicContact CB-CZ3 3.54Å; W45-W73 AromaticContact CD2-CE3 3.44Å; W45-W73 HydrophobicContact CD2-CE3 3.44Å; W45-W73 VanDerWaalsContact CD2-CE3 3.44Å; W45-W73 AromaticContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CE3-CB 4.16Å; W45-W73 HydrophobicContact CE3-CD2 4.19Å; W45-W73 AromaticContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CE3 3.5Å; W45-W73 VanDerWaalsContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CG 4.49Å; W45-W73 HydrophobicContact CE3-CZ3 4.26Å; W45-W73 AromaticContact CG-CE3 3.67Å; W45-W73 HydrophobicContact CG-CE3 3.67Å; W45-W73 AromaticContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CH2-CB 4.04Å; W45-W73 HydrophobicContact CZ3-CB 3.69Å; W45-W73 HydrophobicContact CZ3-CE3 4.18Å; W45-W73 HydrophobicContact CZ3-CG 4.47Å; L69-W73 WeakPolarHBondContact O-CB 3.2Å; L69-W73 PolarHBondContact O-N 3.28Å; A71-W73 VanDerWaalsContact C-N 3.29Å; A71-W73 PolarHBondContact O-N 2.95Å; W73-L75 VanDerWaalsContact C-N 3.31Å; W73-L76 HydrophobicContact CE3-CD1 3.63Å; W73-L76 HydrophobicContact CZ3-CD1 4.02Å; W73-K81 HydrophobicContact CE3-CG 4.46Å; W73-K81 HydrophobicContact CH2-CB 3.95Å; W73-K81 HydrophobicContact CH2-CG 3.7Å; W73-K81 HydrophobicContact CZ2-CB 4.29Å; W73-K81 HydrophobicContact CZ2-CD 4.19Å; W73-K81 HydrophobicContact CZ2-CG 3.86Å; W73-K81 HydrophobicContact CZ3-CG 4.01Å; W73-K81 WeakPolarHBondContact O-CE 3.49Å; W73-K81 PolarHBondContact O-NZ 2.69Å; W73-F84 HydrophobicContact CH2-CB 4.18Å; W73-F84 HydrophobicContact CZ3-CB 4.43Å; W73-F84 HydrophobicContact CZ3-CD2 4.19Å
74K98.1Very high98Very high168 Ų16876 Ų7673%0.7339%0.391SS*.Hα-helixtrans-69.8-33.5177.9-71.2175.4179.8-176.20111.5G70 A71 D72G70-K74 WeakPolarHBondContact O-CG 3.33Å; A71-K74 WeakPolarHBondContact O-CB 2.98Å; A71-K74 PolarHBondContact O-N 3.28Å; D72-K74 PolarHBondContact O-N 3.05Å
75L97.9Very high98Very high142 Ų14276.1 Ų76.174%0.74339%0.393SS*.Hα-helixtrans-76.2-24.2-179.8-65174.3000113.5A71 D72 W73 T77A71-L75 PolarHBondContact O-N 3.26Å; D72-L75 PolarHBondContact O-N 3.09Å; W73-L75 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 2.94Å
76L97.6Very high98.1Very high36 Ų3679.3 Ų79.319%0.18841%0.41CS..SBendtrans-59.3138.6174.6-69.1170.5000111.4W45 D72 W73 E80 K81W45-L76 HydrophobicContact CD2-CD1 4.33Å; W45-L76 HydrophobicContact CZ2-CD1 3.87Å; D72-L76 PolarHBondContact O-N 3.39Å; D72-L76 VanDerWaalsContact O-N 3.1Å; W73-L76 HydrophobicContact CE3-CD1 3.63Å; W73-L76 HydrophobicContact CZ3-CD1 4.02Å; L76-E80 HydrophobicContact CB-CB 4.33Å; L76-E80 HydrophobicContact CD2-CB 4.07Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.99Å; L76-K81 WeakPolarHBondContact O-CE 3.28Å; L76-K81 PolarHBondContact O-NZ 3.29Å
77T98.3Very high98.1Very high78 Ų7880.5 Ų80.548%0.47941%0.411SS..  trans-69.2160.4172.563.80000111.2L75 A79 E80 K81L75-T77 PolarHBondContact O-N 2.94Å; T77-A79 PolarHBondContact O-N 3.18Å; T77-E80 WeakPolarHBondContact CB-OE2 3.37Å; T77-E80 PolarHBondContact N-OE2 3.41Å; T77-E80 PolarHBondContact O-N 3.36Å; T77-E80 VanDerWaalsContact O-N 3.14Å; T77-E80 VanDerWaalsContact OG1-CG 3.27Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.39Å; T77-K81 WeakPolarHBondContact O-CG 3.43Å; T77-K81 PolarHBondContact O-N 3.16Å
78D97.4Very high98.1Very high129 Ų12974.8 Ų74.869%0.6939%0.389SS*.Hα-helixtrans-63.6-30.2177.3-71.1-22.2000112.4K81 R82D78-K81 PolarHBondContact O-N 3.43Å; D78-R82 WeakPolarHBondContact O-CB 3.4Å; D78-R82 PolarHBondContact O-N 3.22Å
79A97.9Very high98.1Very high76 Ų7675.4 Ų75.463%0.62839%0.394SS*.Hα-helixtrans-62.6-43.5173.500000111.6T77 R82 P83T77-A79 PolarHBondContact O-N 3.18Å; A79-R82 WeakPolarHBondContact O-CB 3.33Å; A79-R82 PolarHBondContact O-N 3.11Å; A79-P83 WeakPolarHBondContact O-CD 3.34Å
80E97.5Very high98.1Very high95 Ų9581 Ų8144%0.44442%0.416SS..Hα-helixtrans-71.6-32.5177.4-67.1165.5126.200112.4L76 T77 P83 F84L76-E80 HydrophobicContact CB-CB 4.33Å; L76-E80 HydrophobicContact CD2-CB 4.07Å; T77-E80 WeakPolarHBondContact CB-OE2 3.37Å; T77-E80 PolarHBondContact N-OE2 3.41Å; T77-E80 PolarHBondContact O-N 3.36Å; T77-E80 VanDerWaalsContact O-N 3.14Å; T77-E80 VanDerWaalsContact OG1-CG 3.27Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.39Å; E80-P83 WeakPolarHBondContact O-CD 3.39Å; E80-P83 WeakPolarHBondContact O-CG 3.36Å; E80-F84 VanDerWaalsContact O-CD2 3.28Å; E80-F84 WeakPolarHBondContact O-CD2 3.46Å; E80-F84 VanDerWaalsContact O-CE2 3.27Å; E80-F84 WeakPolarHBondContact O-CE2 3.48Å
81K98.2Very high98.1Very high30 Ų3082.2 Ų82.213%0.1342%0.416CS..Hα-helixtrans-72.7-29.6175.9-70.4168.1171.7146.90112.6W73 L76 T77 D78 F84 I85W73-K81 HydrophobicContact CE3-CG 4.46Å; W73-K81 HydrophobicContact CH2-CB 3.95Å; W73-K81 HydrophobicContact CH2-CG 3.7Å; W73-K81 HydrophobicContact CZ2-CB 4.29Å; W73-K81 HydrophobicContact CZ2-CD 4.19Å; W73-K81 HydrophobicContact CZ2-CG 3.86Å; W73-K81 HydrophobicContact CZ3-CG 4.01Å; W73-K81 WeakPolarHBondContact O-CE 3.49Å; W73-K81 PolarHBondContact O-NZ 2.69Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.99Å; L76-K81 WeakPolarHBondContact O-CE 3.28Å; L76-K81 PolarHBondContact O-NZ 3.29Å; T77-K81 WeakPolarHBondContact O-CG 3.43Å; T77-K81 PolarHBondContact O-N 3.16Å; D78-K81 PolarHBondContact O-N 3.43Å; K81-F84 PolarHBondContact O-N 2.93Å; K81-I85 HydrophobicContact CB-CD1 3.87Å; K81-I85 HydrophobicContact CB-CG1 4.45Å; K81-I85 WeakPolarHBondContact O-CG1 2.84Å; K81-I85 PolarHBondContact O-N 2.94Å
82R98.3Very high98.1Very high170 Ų17088 Ų8864%0.64243%0.427SS*.Hα-helixtrans-50-50.6-173.4-159.4162.6-179.4110-4.6114.9D78 A79 F84 I85 D86D78-R82 WeakPolarHBondContact O-CB 3.4Å; D78-R82 PolarHBondContact O-N 3.22Å; A79-R82 WeakPolarHBondContact O-CB 3.33Å; A79-R82 PolarHBondContact O-N 3.11Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.29Å; R82-I85 WeakPolarHBondContact O-CB 3.42Å; R82-I85 PolarHBondContact O-N 3.15Å; R82-I85 VanDerWaalsContact O-N 3.15Å; R82-D86 PolarHBondContact O-N 3.27Å
83P98.3Very high98.1Very high75 Ų7587.5 Ų87.549%0.48743%0.434SS..Hα-helixtrans-58.9-37.617822-34.5000112.9A79 E80 E87A79-P83 WeakPolarHBondContact O-CD 3.34Å; E80-P83 WeakPolarHBondContact O-CD 3.39Å; E80-P83 WeakPolarHBondContact O-CG 3.36Å; P83-E87 WeakPolarHBondContact O-CB 3.4Å; P83-E87 PolarHBondContact O-N 2.79Å
84F98.3Very high98Very high63 Ų6389 Ų8928%0.27644%0.443SS..Hα-helixtrans-75.8-30.7179.3-52.4-71.3000112.7V44 W45 W73 E80 K81 R82 A88V44-F84 HydrophobicContact CG1-CD1 4.18Å; W45-F84 HydrophobicContact CB-CB 4.22Å; W45-F84 HydrophobicContact CB-CD1 3.8Å; W45-F84 HydrophobicContact CB-CD2 4.13Å; W45-F84 HydrophobicContact CB-CE1 4.2Å; W45-F84 HydrophobicContact CB-CG 3.76Å; W45-F84 AromaticContact CD1-CD2 3.91Å; W45-F84 AromaticContact CD1-CE2 3.54Å; W45-F84 AromaticContact CD1-CZ 3.6Å; W45-F84 HydrophobicContact CG-CD2 4.33Å; W45-F84 HydrophobicContact CG-CE2 4.36Å; W45-F84 HydrophobicContact CG-CG 4.43Å; W45-F84 HydrophobicContact CG-CZ 4.47Å; W73-F84 HydrophobicContact CH2-CB 4.18Å; W73-F84 HydrophobicContact CZ3-CB 4.43Å; W73-F84 HydrophobicContact CZ3-CD2 4.19Å; E80-F84 VanDerWaalsContact O-CD2 3.28Å; E80-F84 WeakPolarHBondContact O-CD2 3.46Å; E80-F84 VanDerWaalsContact O-CE2 3.27Å; E80-F84 WeakPolarHBondContact O-CE2 3.48Å; K81-F84 PolarHBondContact O-N 2.93Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.29Å; F84-A88 VanDerWaalsContact O-CB 3.31Å; F84-A88 WeakPolarHBondContact O-CB 3.31Å; F84-A88 PolarHBondContact O-N 2.99Å
85I98.1Very high98Very high61 Ų6181.9 Ų81.931%0.31341%0.413SS..Hα-helixtrans-65.8-47.4172.5-69.4167.6000109.9A41 K81 R82 A88 K89A41-I85 HydrophobicContact CB-CB 4.48Å; A41-I85 HydrophobicContact CB-CG1 3.87Å; K81-I85 HydrophobicContact CB-CD1 3.87Å; K81-I85 HydrophobicContact CB-CG1 4.45Å; K81-I85 WeakPolarHBondContact O-CG1 2.84Å; K81-I85 PolarHBondContact O-N 2.94Å; R82-I85 WeakPolarHBondContact O-CB 3.42Å; R82-I85 PolarHBondContact O-N 3.15Å; R82-I85 VanDerWaalsContact O-N 3.15Å; I85-A88 PolarHBondContact O-N 3.43Å; I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.86Å
86D98.4Very high98Very high70 Ų7079.1 Ų79.137%0.37440%0.397SS..Hα-helixtrans-68.5-38.1-179.1-67.8-22.8000111.5R82 A88 K89 R90R82-D86 PolarHBondContact O-N 3.27Å; D86-A88 PolarHBondContact O-N 3.21Å; D86-K89 WeakPolarHBondContact O-CB 3.17Å; D86-K89 PolarHBondContact O-N 2.97Å; D86-K89 IonicContact OD1-NZ 3.41Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 PolarHBondContact O-N 2.69Å
87E98.1Very high98Very high63 Ų6385.6 Ų85.629%0.29442%0.423SS..Hα-helixtrans-63.6-41.5172.2-179.456.6-163.700112.4V44 P83 K89 R90 L91V44-E87 HydrophobicContact CG1-CB 4.31Å; V44-E87 HydrophobicContact CG1-CG 3.82Å; P83-E87 WeakPolarHBondContact O-CB 3.4Å; P83-E87 PolarHBondContact O-N 2.79Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-R90 WeakPolarHBondContact O-CB 3.4Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 IonicContact OE1-CZ 3.69Å; E87-R90 IonicContact OE1-NE 3.29Å; E87-R90 PolarHBondContact OE1-NE 3.26Å; E87-R90 IonicContact OE1-NH2 3.72Å; E87-R90 PolarHBondContact OE1-NH2 3.02Å; E87-R90 IonicContact OE2-CZ 2.69Å; E87-R90 IonicContact OE2-NE 2.79Å; E87-R90 PolarHBondContact OE2-NE 3.42Å; E87-R90 IonicContact OE2-NH2 2.89Å; E87-L91 HydrophobicContact CG-CD1 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.31Å
88A98.3Very high97.9Very high13 Ų1387.5 Ų87.511%0.10743%0.427CS..Hα-helixtrans-64.3-36.7175.100000112.6A41 V44 F84 I85 D86 R92A41-A88 HydrophobicContact CB-CB 4.1Å; A41-A88 VanDerWaalsContact N-CB 3.29Å; V44-A88 HydrophobicContact CG2-CB 4.31Å; F84-A88 VanDerWaalsContact O-CB 3.31Å; F84-A88 WeakPolarHBondContact O-CB 3.31Å; F84-A88 PolarHBondContact O-N 2.99Å; I85-A88 PolarHBondContact O-N 3.43Å; D86-A88 PolarHBondContact O-N 3.21Å; A88-R92 WeakPolarHBondContact O-CB 3.42Å; A88-R92 PolarHBondContact O-N 3.43Å
89K98.6Very high97.7Very high123 Ų12384.6 Ų84.654%0.53541%0.409SS..Hα-helixtrans-63.8-44.6172.2-69.8172.4-166.9155.80110.8I85 D86 E87 R92 A93I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.86Å; D86-K89 WeakPolarHBondContact O-CB 3.17Å; D86-K89 PolarHBondContact O-N 2.97Å; D86-K89 IonicContact OD1-NZ 3.41Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.29Å; K89-R92 PolarHBondContact O-N 2.95Å; K89-A93 PolarHBondContact O-N 3.05Å
90R98.5Very high97.6Very high120 Ų12085.9 Ų85.945%0.45341%0.411SS..Hα-helixtrans-58.5-49176.9-168.2-164.469.877.81111D86 E87 R92 A93 M94D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 PolarHBondContact O-N 2.69Å; E87-R90 WeakPolarHBondContact O-CB 3.4Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 IonicContact OE1-CZ 3.69Å; E87-R90 IonicContact OE1-NE 3.29Å; E87-R90 PolarHBondContact OE1-NE 3.26Å; E87-R90 IonicContact OE1-NH2 3.72Å; E87-R90 PolarHBondContact OE1-NH2 3.02Å; E87-R90 IonicContact OE2-CZ 2.69Å; E87-R90 IonicContact OE2-NE 2.79Å; E87-R90 PolarHBondContact OE2-NE 3.42Å; E87-R90 IonicContact OE2-NH2 2.89Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 3.26Å; R90-A93 PolarHBondContact O-N 2.93Å; R90-M94 WeakPolarHBondContact O-CG 3.37Å; R90-M94 PolarHBondContact O-N 3.31Å
91L98.2Very high97.4Very high49 Ų4988.8 Ų88.826%0.25743%0.429SS..Hα-helixtrans-60.4-40.5176.5-71.7172.9000112.1M39 V44 E87 H95M39-L91 HydrophobicContact CB-CD1 4.35Å; V44-L91 HydrophobicContact CG2-CD1 3.74Å; E87-L91 HydrophobicContact CG-CD1 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.31Å; L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.45Å; L91-H95 PolarHBondContact O-N 2.77Å
92R97.6Very high97.3Very high171 Ų17189.7 Ų89.765%0.64543%0.432SS*.Hα-helixtrans-63.7-44.7175.3-174.7-179.5-178.8-172-0.6111.7P38 A88 K89 R90 H95 M96P38-R92 HydrophobicContact CG-CB 4.48Å; P38-R92 HydrophobicContact CG-CG 4.47Å; A88-R92 WeakPolarHBondContact O-CB 3.42Å; A88-R92 PolarHBondContact O-N 3.43Å; K89-R92 PolarHBondContact O-N 2.95Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 3.26Å; R92-H95 PolarHBondContact O-N 2.9Å; R92-M96 WeakPolarHBondContact O-CG 3.37Å; R92-M96 PolarHBondContact O-N 2.89Å
93A97.8Very high97.1Very high64 Ų6489 Ų8953%0.52943%0.434SS..Hα-helixtrans-63.8-46.3178.800000111.6K89 R90 H95 M96 K97K89-A93 PolarHBondContact O-N 3.05Å; R90-A93 PolarHBondContact O-N 2.93Å; A93-H95 VanDerWaalsContact C-N 3.31Å; A93-H95 PolarHBondContact O-N 2.79Å; A93-M96 PolarHBondContact O-N 2.89Å; A93-K97 PolarHBondContact O-N 3.22Å
94M97.5Very high97Very high74 Ų7490.7 Ų90.737%0.36543%0.431SS..Hα-helixtrans-57.1-46.2174-72.5-61.6-6100111.3R90 M96 K97 E98R90-M94 WeakPolarHBondContact O-CG 3.37Å; R90-M94 PolarHBondContact O-N 3.31Å; M94-M96 VanDerWaalsContact C-N 3.33Å; M94-M96 PolarHBondContact O-N 3.21Å; M94-K97 WeakPolarHBondContact O-CB 3.47Å; M94-K97 PolarHBondContact O-N 3.24Å; M94-K97 VanDerWaalsContact O-N 3.12Å; M94-E98 WeakPolarHBondContact CE-OE1 3.25Å; M94-E98 WeakPolarHBondContact O-CB 3.22Å; M94-E98 WeakPolarHBondContact O-CG 3.4Å; M94-E98 PolarHBondContact O-N 2.97Å
95H97.9Very high96.7Very high18 Ų1896.1 Ų96.18%0.08345%0.45CS..Hα-helixtrans-61.9-38.8179-170.180.7000113.3V35 K36 P38 L91 R92 A93 K97 H99 Y102V35-H95 WeakPolarHBondContact CG1-CE1 3.31Å; K36-H95 PolarHBondContact O-CE1 3.41Å; K36-H95 PolarHBondContact O-NE2 2.88Å; P38-H95 HydrophobicContact CB-CB 4.01Å; P38-H95 HydrophobicContact CG-CB 4.18Å; L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.45Å; L91-H95 PolarHBondContact O-N 2.77Å; R92-H95 PolarHBondContact O-N 2.9Å; A93-H95 VanDerWaalsContact C-N 3.31Å; A93-H95 PolarHBondContact O-N 2.79Å; H95-K97 VanDerWaalsContact C-N 3.33Å; H95-H99 AromaticContact CE1-CD2 3.53Å; H95-H99 AromaticContact ND1-CD2 3.59Å; H95-H99 WeakPolarHBondContact O-CA 3.44Å; H95-H99 WeakPolarHBondContact O-CB 3.39Å; H95-H99 PolarHBondContact O-N 2.96Å; H95-Y102 AromaticContact CD2-CD1 3.97Å; H95-Y102 AromaticContact NE2-CD1 3.64Å; H95-Y102 AromaticContact NE2-CD2 3.54Å; H95-Y102 AromaticContact NE2-CE1 3.8Å; H95-Y102 AromaticContact NE2-CE2 3.71Å; H95-Y102 AromaticContact NE2-CG 3.48Å; H95-Y102 AromaticContact NE2-CZ 3.82Å
96M96.8Very high96.4Very high84 Ų8497.2 Ų97.241%0.41446%0.461SS..Hα-helixtrans-68.8-32.6175.6-63.8-77.786.400112.5R92 A93 M94 H99 P100 Y102R92-M96 WeakPolarHBondContact O-CG 3.37Å; R92-M96 PolarHBondContact O-N 2.89Å; A93-M96 PolarHBondContact O-N 2.89Å; M94-M96 VanDerWaalsContact C-N 3.33Å; M94-M96 PolarHBondContact O-N 3.21Å; M96-H99 CarbonylContact O-C 3.51Å; M96-P100 WeakPolarHBondContact O-CA 3.5Å; M96-Y102 HydrophobicContact CE-CD1 3.68Å; M96-Y102 HydrophobicContact CE-CG 4.26Å
97K97.1Very high96Very high172 Ų172103.8 Ų103.875%0.74848%0.481SS*.Hα-helixtrans-72.6-44.1175.5-176.3-177.6176.4-176.20112A93 M94 H95A93-K97 PolarHBondContact O-N 3.22Å; M94-K97 WeakPolarHBondContact O-CB 3.47Å; M94-K97 PolarHBondContact O-N 3.24Å; M94-K97 VanDerWaalsContact O-N 3.12Å; H95-K97 VanDerWaalsContact C-N 3.33Å
98E96.3Very high95.6Very high118 Ų118112.1 Ų112.155%0.55151%0.509SS*.Hα-helixtrans-74.2-30.2-179.3-70.7171.2-179.200112.4M94M94-E98 WeakPolarHBondContact CE-OE1 3.25Å; M94-E98 WeakPolarHBondContact O-CB 3.22Å; M94-E98 WeakPolarHBondContact O-CG 3.4Å; M94-E98 PolarHBondContact O-N 2.97Å
99H94.6Very high95Very high68 Ų68119.9 Ų119.932%0.31554%0.541SS..  trans-129.576-179.9-54.2-68.1000110.7V35 H95 M96 D101 Y102V35-H99 HydrophobicContact CG1-CB 4.38Å; H95-H99 AromaticContact CE1-CD2 3.53Å; H95-H99 AromaticContact ND1-CD2 3.59Å; H95-H99 WeakPolarHBondContact O-CA 3.44Å; H95-H99 WeakPolarHBondContact O-CB 3.39Å; H95-H99 PolarHBondContact O-N 2.96Å; M96-H99 CarbonylContact O-C 3.51Å; H99-D101 VanDerWaalsContact C-N 3.27Å; H99-D101 PolarHBondContact O-N 2.83Å; H99-Y102 WeakPolarHBondContact O-CB 3.22Å; H99-Y102 PolarHBondContact O-N 2.93Å; H99-Y102 VanDerWaalsContact O-N 3.08Å
100P94.6Very high94.2Very high102 Ų102120.6 Ų120.666%0.66256%0.556SS**THydrogen-bonded Turntrans-62.6-33.4-178.424.4-33.7000112.8M96 Y102M96-P100 WeakPolarHBondContact O-CA 3.5Å; P100-Y102 VanDerWaalsContact C-N 3.25Å; P100-Y102 PolarHBondContact O-N 2.97Å
101D94.1Very high93.3Very high156 Ų156124.3 Ų124.383%0.83458%0.575SS**THydrogen-bonded Turntrans-856.2177.8-60.4-45.4000113.6H99 K103H99-D101 VanDerWaalsContact C-N 3.27Å; H99-D101 PolarHBondContact O-N 2.83Å; D101-K103 PolarHBondContact O-N 3.23Å; D101-K103 VanDerWaalsContact O-N 3.08Å
102Y96Very high92.1Very high50 Ų50127.9 Ų127.920%0.19660%0.599CS.*  trans-63.2116.4-179.1-179.2-100000111.5V35 R37 H95 M96 H99 P100V35-Y102 HydrophobicContact CB-CD2 3.85Å; V35-Y102 HydrophobicContact CB-CE2 4.01Å; V35-Y102 HydrophobicContact CG1-CD2 3.48Å; V35-Y102 VanDerWaalsContact CG1-CD2 3.48Å; V35-Y102 HydrophobicContact CG1-CE2 3.72Å; V35-Y102 HydrophobicContact CG1-CG 4.47Å; V35-Y102 WeakPolarHBondContact O-CE2 3.46Å; R37-Y102 VanDerWaalsContact CG-OH 3.22Å; R37-Y102 WeakPolarHBondContact CG-OH 3.4Å; H95-Y102 AromaticContact CD2-CD1 3.97Å; H95-Y102 AromaticContact NE2-CD1 3.64Å; H95-Y102 AromaticContact NE2-CD2 3.54Å; H95-Y102 AromaticContact NE2-CE1 3.8Å; H95-Y102 AromaticContact NE2-CE2 3.71Å; H95-Y102 AromaticContact NE2-CG 3.48Å; H95-Y102 AromaticContact NE2-CZ 3.82Å; M96-Y102 HydrophobicContact CE-CD1 3.68Å; M96-Y102 HydrophobicContact CE-CG 4.26Å; H99-Y102 WeakPolarHBondContact O-CB 3.22Å; H99-Y102 PolarHBondContact O-N 2.93Å; H99-Y102 VanDerWaalsContact O-N 3.08Å; P100-Y102 VanDerWaalsContact C-N 3.25Å; P100-Y102 PolarHBondContact O-N 2.97Å
103K94Very high90.5Very high155 Ų155127.5 Ų127.567%0.67461%0.609SS**  trans-123.6125.4174.1-170.3167.3-176169.10111.7D101 R105D101-K103 PolarHBondContact O-N 3.23Å; D101-K103 VanDerWaalsContact O-N 3.08Å; K103-R105 PolarHBondContact O-N 3.43Å; K103-R105 VanDerWaalsContact O-N 3.14Å
104Y95.4Very high88.8Confident111 Ų111131.4 Ų131.444%0.43562%0.62SS.*  trans-69.6112.2174.6176.7-132.3000111.2R37 P106R37-Y104 VanDerWaalsContact NH1-CE2 3.29Å; R37-Y104 PolarHBondContact NH1-OH 3.01Å; R37-Y104 PolarHBondContact NH2-OH 3.46Å; Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.48Å; Y104-P106 HydrophobicContact CE1-CG 3.64Å; Y104-P106 HydrophobicContact CE2-CB 4.25Å; Y104-P106 HydrophobicContact CE2-CG 4.05Å; Y104-P106 VanDerWaalsContact CZ-CG 3.48Å
105R92.6Very high86.8Confident177 Ų177137.4 Ų137.467%0.66864%0.644SS**  trans-117.596.3174.7-69.3177.6167.1-120.82.5110.1R34 K103R34-R105 PolarHBondContact NH2-O 3.17Å; K103-R105 PolarHBondContact O-N 3.43Å; K103-R105 VanDerWaalsContact O-N 3.14Å
106P92.4Very high84.8Confident84 Ų84145.6 Ų145.655%0.54568%0.68SS.*PPolyproline II helixtrans-60.8133.5171.3-4.59.6000110.7Y104Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.48Å; Y104-P106 HydrophobicContact CE1-CG 3.64Å; Y104-P106 HydrophobicContact CE2-CB 4.25Å; Y104-P106 HydrophobicContact CE2-CG 4.05Å; Y104-P106 VanDerWaalsContact CZ-CG 3.48Å
107R90.1Very high82.9Confident208 Ų208149 Ų14979%0.78570%0.699SS**PPolyproline II helixtrans-85117.4176.4-171.3168.6-173.4-92.90.3109.8
108R88.9Confident80.9Confident237 Ų237149.2 Ų149.289%0.89470%0.7SS**PPolyproline II helixtrans-74133.4170.3-63.6179.973.6-177.92.5108.9
109K85.4Confident78.8Confident177 Ų177154.4 Ų154.477%0.7772%0.717SS**PPolyproline II helixtrans-99.2129.3168.4-65.3-173.7179.7-176.40108.1K111K109-K111 PolarHBondContact O-N 2.86Å
110T83.3Confident76.4Confident138 Ų138156.3 Ų156.385%0.84774%0.738SS**PPolyproline II helixtrans-67.8116.5172.7-22.40000108T112T110-T112 PolarHBondContact O-N 3.03Å
111K78.6Confident74Confident197 Ų197159.8 Ų159.886%0.85775%0.749SS**  trans-74.6104.7171-65.7-176.373.1-178.50106.7K109 L113K109-K111 PolarHBondContact O-N 2.86Å; K111-L113 PolarHBondContact O-N 3.12Å
112T72.1Confident71.8Confident124 Ų124158.3 Ų158.376%0.76175%0.749SS**  trans-67.2103.9171.352.30000108T110 L114T110-T112 PolarHBondContact O-N 3.03Å; T112-L114 PolarHBondContact O-N 3.37Å
113L64.6Low69.1Low164 Ų164159.4 Ų159.486%0.85978%0.775SS**  trans-72.3-4.2-179.7-158.1140.9000112.5K111K111-L113 PolarHBondContact O-N 3.12Å
114L62.4Low66.8Low145 Ų145155.4 Ų155.476%0.75978%0.778SS**  trans-108.878.3-169.5-58.5167.6000111.5T112T112-L114 PolarHBondContact O-N 3.37Å
115K55.4Low64.4Low200 Ų200157.8 Ų157.887%0.8780%0.797SS**  trans-172.455.6158.4-104.8150.8-177.8173.70109.9
116K56.7Low61.9Low191 Ų191157 Ų15783%0.8381%0.805SS**  trans-133.946.6163.3-159176.1178-179.80110.8
117D55.7Low59.5Low155 Ų155157.5 Ų157.583%0.82982%0.817SS**SBendtrans-133.919.7171-64.7-50.3000112.6
118K55.5Low57.4Low176 Ų176153.9 Ų153.977%0.76582%0.82SS**SBendtrans-132.8114.5168.9-69.1-165.5-92.8-1220107.4
119Y52.3Low54.9Low228 Ų228146.1 Ų146.189%0.89481%0.814SS**SBendtrans84.978.1178.2-48.6-75.7000116.4
120S43.3Very low52.7Low108 Ų108143.6 Ų143.676%0.75582%0.818SS**  -171.188.1126.7-175.50000111.4
121L44.1Very low50.7Low174 Ų174145.1 Ų145.191%0.91182%0.821SS**  trans-131.5112.4142.7-83.4174.2000106.8G123L121-G123 PolarHBondContact O-N 3.24Å
122P49.5Very low48.8Very low126 Ų126139.9 Ų139.982%0.81882%0.815SS**  trans-84.5100.4165.331.7-23.9000107.1
123G37.7Very low47.1Very low72 Ų72140.6 Ų140.674%0.74282%0.819SS**  trans-146.286.8178.900000109.4L121L121-G123 PolarHBondContact O-N 3.24Å
124G46.4Very low45.9Very low72 Ų72140.2 Ų140.274%0.74282%0.818SS**  trans-66.9164.4159.700000110.4
125L44.5Very low44.5Very low161 Ų161140.4 Ų140.484%0.84382%0.819SS**  trans106.6104.2169.4-54.2-175.8000115.7
126L41.6Very low43.6Very low159 Ų159134.9 Ų134.983%0.83281%0.806SS**  trans97.7101.7136.6-54154.6000119.8
127A41.2Very low42.7Very low95 Ų95132.4 Ų132.479%0.78581%0.806SS**  64.7142.9128.600000122.4
128P45.8Very low42Very low133 Ų133130.7 Ų130.786%0.86481%0.807SS**  trans-94.9151.6-172.238.1-32.2000113.3
129G36.7Very low41.2Very low73 Ų73129.2 Ų129.275%0.75381%0.812SS**  trans118.2109.2156.100000115.2
130S39.4Very low40.4Very low124 Ų124120.9 Ų120.987%0.86780%0.796SS**  trans177.4126.9136.230.60000110.6
131N41Very low40.3Very low170 Ų170124.9 Ų124.991%0.90980%0.802SS**  trans-67.3140.1166-80.2-48.5000110.4
132A38.8Very low40Very low87 Ų87126.9 Ų126.972%0.71980%0.798SS**  trans-167.4108.1151.600000113
133V36.9Very low39.9Very low139 Ų139129.5 Ų129.584%0.84280%0.801SS**  trans32.1134.9133.4-70.90000123.5
134N38.2Very low39.8Very low157 Ų157133.3 Ų133.384%0.8481%0.805SS**  trans-0.6134.2146.4-76.8-41.6000118.7
135N34.5Very low39.4Very low148 Ų148132.9 Ų132.979%0.79180%0.8SS**  166.9149.192.1-155.117.5000113.1
136S34.8Very low39.2Very low85 Ų85135.9 Ų135.959%0.59480%0.802SS**  trans50.1120146.962.80000124.4
137V38.6Very low39.3Very low138 Ų138133.4 Ų133.484%0.83680%0.804SS**  44.2114.6122.7-168.90000118.6
138S40.6Very low39.5Very low120 Ų120136.8 Ų136.884%0.83980%0.803SS**  trans-154.8118.2140.940.40000112.1
139V40.4Very low39.5Very low145 Ų145138.5 Ų138.588%0.87980%0.802SS**  trans-68.2133.3158.9167.30000107.5
140G34.3Very low39.9Very low53 Ų53141.8 Ų141.855%0.54680%0.802SS.*  trans-163.4102.4176.200000111.5
141Q41.9Very low40.1Very low191 Ų191139.2 Ų139.289%0.89380%0.795SS**  trans-50.5143165.5-70.3-151.9-18.400111.1
142R37.9Very low40.4Very low216 Ų216142.8 Ų142.882%0.81580%0.796SS**  trans-141.9108.6158.648.9-170.9172.6-84.12.3109.2
143M46.2Very low40.6Very low181 Ų181144.9 Ų144.989%0.89280%0.8SS**  trans-85.8103.9168.4-179.381.1147.200106.3
144D35.7Very low41.2Very low153 Ų153146.2 Ų146.282%0.81880%0.802SS**  trans-153.5126.2165.8-68.5-61.9000104.1
145G38.2Very low41.6Very low62 Ų62143.9 Ų143.964%0.63980%0.798SS**  cis139.2143.934.700000105
146Y40Very low42Very low224 Ų224141.2 Ų141.288%0.87880%0.797SS**  trans8071.1171.9-61.6-87.4000118.7H148Y146-H148 PolarHBondContact O-N 3.42Å; Y146-H148 PolarHBondContact O-ND1 3.01Å
147A43.5Very low42.4Very low107 Ų107148.4 Ų148.488%0.88481%0.812SS**  trans-68.4104.1145.600000108.7
148H46.6Very low43Very low167 Ų167147.2 Ų147.277%0.77381%0.81SS**  trans-70.3128.517440.5-75.1000109.5Y146 N150Y146-H148 PolarHBondContact O-N 3.42Å; Y146-H148 PolarHBondContact O-ND1 3.01Å; H148-N150 PolarHBondContact O-N 3.35Å
149M45.6Very low43.5Very low168 Ų168150 Ų15083%0.82882%0.815SS**  trans-56121.4163.9-86.1-146.277.100109.6
150N44.4Very low44Very low143 Ų143152.1 Ų152.177%0.76582%0.818SS**  172.3125.9125.5-79.9-14.2000108.4H148H148-N150 PolarHBondContact O-N 3.35Å
151G44.6Very low44.4Very low69 Ų69158.7 Ų158.771%0.71183%0.834SS**  trans-55143.4-160.100000115.7
152W46.8Very low44.3Very low246 Ų246157 Ų15793%0.93283%0.831SS**  175.791112.7-87.127.5000106.7
153T42.7Very low44.1Very low130 Ų130155.5 Ų155.580%0.79883%0.833SS**  trans-113.3101.2167.155.30000108.7S155T153-S155 PolarHBondContact O-N 2.9Å
154N50.4Low43.6Very low167 Ų167155.2 Ų155.289%0.89384%0.835SS**  trans-72.185.1161.3-92.3-81.8000107.4
155S45.3Very low43.4Very low109 Ų109152.2 Ų152.276%0.76283%0.831SS**  trans-156.332.1173.1-143.70000113T153T153-S155 PolarHBondContact O-N 2.9Å
156A43.1Very low43.2Very low91 Ų91160.2 Ų160.275%0.75284%0.843SS**  trans-104.40.4-178.800000114.8
157Y43.1Very low43.6Very low236 Ų236154.5 Ų154.593%0.92583%0.834SS**SBendtrans-116.475.9173-71.1-77.4000110.6
158S52.3Low43.1Very low113 Ų113156.7 Ų156.779%0.7983%0.825SS**SBendtrans-155.113.9165.1-152.20000114.6
159L50.6Low42.5Very low179 Ų179158 Ų15894%0.93783%0.832SS**SBendtrans-130.830.5-176.2-137101.5000114.6
160M49.9Very low41.9Very low190 Ų190158 Ų15894%0.93683%0.829SS**SBendtrans-13146.6172.1-160.7-156.4135.800112.2
161Q43.3Very low41.3Very low191 Ų191156.4 Ų156.489%0.89383%0.829SS**  trans-147.862.3168.1-165.7139.22800111
162D40.4Very low40.8Very low155 Ų155161.4 Ų161.483%0.82984%0.836SS**  trans-162.485150.2-146.312.5000110.9
163Q34.2Very low40.1Very low185 Ų185157.2 Ų157.286%0.86483%0.832SS**  trans-150.6107.1153.1-83.1-150.429.200106.7
164L35.3Very low39.7Very low175 Ų175155.8 Ų155.892%0.91683%0.827SS**  trans173.481.9135.5-86.8174.3000107.7
165A31.6Very low39.7Very low89 Ų89152.8 Ų152.874%0.73682%0.817SS**  trans-111.1116.4164.700000108.3
166Y33.6Very low39.2Very low231 Ų231155.9 Ų155.991%0.90682%0.819SS**  trans-144.2153.4157.9-99.1-85.4000109.2
167P48.7Very low39Very low104 Ų104158.1 Ų158.168%0.67582%0.817SS**  trans-102.4160.4-144.138.9-35.7000116.1
168Q32.7Very low38.7Very low152 Ų152154.8 Ų154.871%0.7181%0.81SS**  trans25115.2146.7-77.3-73.5-3800119.8
169H34Very low38Very low196 Ų196156.7 Ų156.791%0.90781%0.807SS**  trans-145.1142143.2-89.2-83.9000111
170H31.8Very low37.5Very low167 Ų167155.2 Ų155.277%0.77380%0.796SS**  trans-81.1156.2-177.8-72.848.3000113
171S32.1Very low37Very low109 Ų109155 Ų15576%0.76279%0.793SS**  trans116.9109.2145.9-154.40000118.1
172M34.7Very low36.6Very low174 Ų174155.3 Ų155.386%0.85779%0.786SS**  trans52.1132.6131.4-63.4-69.7165.700122.8
173N32.6Very low36.3Very low158 Ų158156.7 Ų156.785%0.84578%0.781SS**  trans102.4105.8139.1-129.832000119.1
174S34.8Very low36.4Very low100 Ų100157 Ų15770%0.69978%0.782SS**  trans-71.7162.4150.4-168.20000108.5
175P50.6Low36.8Very low104 Ų104156.2 Ų156.268%0.67578%0.776SS**  cis-151.6-178.437.234.9-8.8000118.6
176Q34.2Very low37.3Very low174 Ų174156.4 Ų156.481%0.81378%0.778SS**  trans127.7140.7143-72.1-72.6-11.600117.8
177I38.5Very low37.7Very low138 Ų138148.8 Ų148.871%0.70877%0.769SS**  trans-97.9170.1-169.3-87.4-178000110.4
178Q36.8Very low37.4Very low167 Ų167152.2 Ų152.278%0.7878%0.781SS**  trans86.4137.2159.5-97.416915.200115.6
179Q37.9Very low37.6Very low153 Ų153153.7 Ų153.772%0.71579%0.788SS**  cis-154.4157.830.3-68.1-155.617.700115.2
180M39.9Very low37.6Very low147 Ų147155 Ų15572%0.72479%0.786SS**  trans-52130.2162.2-74.4-95.9-65.100114.3R182M180-R182 HydrophobicContact CE-CB 4.48Å
181H40.2Very low38.6Very low186 Ų186152.6 Ų152.686%0.86179%0.785SS**  trans-125.8113.7154.1-79-101.2000110.4
182R34.3Very low38.7Very low198 Ų198154.9 Ų154.975%0.74779%0.786SS**  trans-107.9140.1-175.3-155.4-133.3-84.3174.9-6.2106.5M180M180-R182 HydrophobicContact CE-CB 4.48Å
183Y34.2Very low38.8Very low184 Ų184155 Ų15572%0.72279%0.786SS**  trans72112.3168.5-88.5-105.1000119.7M185Y183-M185 HydrophobicContact CD1-CB 4.2Å; Y183-M185 HydrophobicContact CD1-CG 3.9Å; Y183-M185 HydrophobicContact CE1-CB 4.38Å; Y183-M185 HydrophobicContact CE1-CG 3.75Å
184E36.5Very low38.9Very low190 Ų190151.4 Ų151.489%0.88877%0.774SS**  trans-132111135.5-168.4178.6170.700107.3
185M43.6Very low39.2Very low159 Ų159151.7 Ų151.778%0.78378%0.776SS**  trans-113.698.4175.3-93.8-80.3-177.800107.2Y183Y183-M185 HydrophobicContact CD1-CB 4.2Å; Y183-M185 HydrophobicContact CD1-CG 3.9Å; Y183-M185 HydrophobicContact CE1-CB 4.38Å; Y183-M185 HydrophobicContact CE1-CG 3.75Å
186A41.7Very low38.5Very low94 Ų94151 Ų15178%0.77778%0.779SS**  trans-164.9116160.100000110.2
187G41.9Very low38.6Very low70 Ų70150.6 Ų150.672%0.72278%0.777SS**  trans10592.5166.600000113.7
188L42.6Very low38.8Very low176 Ų176149.5 Ų149.592%0.92178%0.777SS**  -179.2121.197.9-85.3177.1000110.1
189Q36.1Very low38.8Very low184 Ų184151.4 Ų151.486%0.8678%0.778SS**  trans-52.8129.1173.4-163.7134.1-6.500112.5
190Y35.7Very low38.9Very low222 Ų222153.2 Ų153.287%0.87179%0.789SS**  trans-67.4150.9166.2-70.4-85.6000111.3
191P51.7Low38.9Very low117 Ų117153.6 Ų153.676%0.7679%0.794SS**  trans-115.2136.7142.97.412.9000112
192M33.6Very low38.8Very low158 Ų158149 Ų14978%0.77879%0.789SS**  trans-84.9134.5169.7-178.4-87.517900109.7
193M38.6Very low38.9Very low175 Ų175143.3 Ų143.386%0.86278%0.784SS**  trans-148.2108.8163.6-40.6-167.28500105.4
194S34.5Very low39Very low83 Ų83140.6 Ų140.658%0.5879%0.792SS**  54.2102.362-1520000116.1
195S39.3Very low38.9Very low106 Ų106137.4 Ų137.474%0.74179%0.786SS**  trans49.9125141.162.60000122.2
196A36.6Very low38.4Very low91 Ų91141.5 Ų141.575%0.75279%0.794SS**  trans102.8138.8135.600000120.4
197Q36.7Very low38.2Very low165 Ų165141.3 Ų141.377%0.77179%0.787SS**  trans83.3109160-49.2-153-2.700116.8
198T41.6Very low38Very low114 Ų114145.9 Ų145.970%0.69979%0.792SS**  75142.179.9-570000112
199Y37.1Very low37.8Very low207 Ų207142.6 Ų142.681%0.81278%0.783SS**  trans92.296.2-178.4-54.7-74.9000115.8
200M40.1Very low38.5Very low192 Ų192140.2 Ų140.295%0.94678%0.784SS**  -17282.4129.9-90.3-69.9-163.300106.9
201N40.1Very low38.5Very low154 Ų154132.5 Ų132.582%0.82477%0.766SS**  trans-93.7113.1162.7-175.4-41.5000105.9
202A37.6Very low37.6Very low91 Ų91137.4 Ų137.475%0.75277%0.771SS**  trans-121.892.3172.500000108.3
203A36.7Very low37.9Very low78 Ų78137 Ų13765%0.64578%0.777SS**  trans-67.4125.4164.100000109.2
204S36.4Very low37.9Very low126 Ų126137.4 Ų137.488%0.88178%0.777SS**  trans-86.5103.1162.6-66.40000108.8
205T34.2Very low37.8Very low124 Ų124141.5 Ų141.576%0.76179%0.787SS**  trans-130.897.4163.1460000108.3
206Y34.3Very low37.5Very low245 Ų245142 Ų14296%0.96179%0.786SS**  trans-103.2115.6160.1-109.5-88.7000107.4
207S35.9Very low37.4Very low89 Ų89143.4 Ų143.462%0.62279%0.785SS**  trans-108.5132170.951.70000108.7
208M38.2Very low37.4Very low167 Ų167141.1 Ų141.182%0.82379%0.788SS**  trans-156.9118.2148.5-88.3-54.8109.600110.5
209S38.5Very low37.2Very low107 Ų107139.8 Ų139.875%0.74879%0.788SS**  trans64.9135.8148.6-48.50000120.7
210P52Low37.3Very low134 Ų134139.3 Ų139.387%0.8780%0.795SS**  -136.9166.691.838-25000114.7
211A33.8Very low37Very low60 Ų60133.6 Ų133.650%0.49679%0.786SS.*  trans-99.2168.1-173.500000113.7
212Y33.5Very low37Very low219 Ų219134.4 Ų134.486%0.85979%0.789SS**  trans81103.6162.3-33.6-73.9000118.1
213T41Very low36.8Very low149 Ų149136 Ų13691%0.91479%0.794SS**  -170.2136117.929.50000109.7
214Q36.9Very low37.2Very low184 Ų184137.8 Ų137.886%0.8680%0.803SS**  trans-88.2145179.8-74.4-157.884.800111.8
215Q34.4Very low37.4Very low170 Ų170140.5 Ų140.579%0.79480%0.803SS**  170.3126.5113.9-97.4178.7-9.300112.9
216T32.6Very low37.5Very low117 Ų117139.3 Ų139.372%0.71881%0.807SS**  trans48.3134.3134.964.60000119.8
217T33.6Very low37.8Very low120 Ų120132.8 Ų132.874%0.73680%0.796SS**  cis-174.1146.920.928.10000109.4
218S37.9Very low38.3Very low117 Ų117135.4 Ų135.482%0.81881%0.809SS**  trans45.2148.4140.2-38.60000121.8
219A37Very low38.3Very low85 Ų85133 Ų13370%0.70281%0.807SS**  cis177.6158.5-15.200000106.6
220M38.9Very low38.4Very low198 Ų198138.1 Ų138.198%0.97582%0.816SS**  trans75.4147162.1-42.9-102.5-125.400116.3
221G33.8Very low37.8Very low72 Ų72137.8 Ų137.874%0.74281%0.811SS**  cis160.6135.86.400000108.8
222L39.3Very low37.9Very low170 Ų170143 Ų14389%0.8983%0.825SS**  trans-4.4139163.8-58.2158.9000120
223S34.9Very low38.9Very low124 Ų124138 Ų13887%0.86782%0.82SS**  163.1149.8111.4-69.80000115.4
224S43.8Very low38.8Very low117 Ų117135.7 Ų135.782%0.81881%0.81SS**  trans-74.3145.2179.5177.90000114.4
225M40.4Very low39.2Very low182 Ų182132.4 Ų132.490%0.89781%0.807SS**  trans173.3132.613654.2-171.3175.100112.4
226A36.4Very low40.2Very low100 Ų100129.8 Ų129.883%0.82680%0.804SS**  153.2106.8128.900000112.1
227S40.2Very low41.3Very low107 Ų107130 Ų13075%0.74881%0.808SS**  trans-97136.6157.7171.50000107.6
228V47.4Very low42.2Very low145 Ų145130.2 Ų130.288%0.87981%0.811SS**  trans-152.4126.1153.9-102.50000110.4
229C37.1Very low42.1Very low116 Ų116128.8 Ų128.878%0.78481%0.807SS**  trans-76.1154.1-173.1-41.80000112.4
230K40.6Very low42.3Very low215 Ų215133 Ų13394%0.93582%0.816SS**  trans-147.6125.1154.7-159.1163.6171.4177.50110.6
231T39.4Very low42.3Very low126 Ų126130 Ų13077%0.77381%0.809SS**  trans-110.8144.7-17129.50000112.4
232E37.5Very low42.8Very low170 Ų170131.6 Ų131.679%0.79481%0.808SS**  trans65.1162.1149.6-96.2-151.78900123
233P52.8Low43Very low115 Ų115132.5 Ų132.575%0.74781%0.808SS**  cis-129.6166.711.434.9-14000118.9
234S38.9Very low43.1Very low100 Ų100131.7 Ų131.770%0.69980%0.802SS**  trans-84.5150.6177.31780000113.1
235S46.3Very low42.9Very low115 Ų115134.8 Ų134.880%0.80480%0.804SS**  trans-150.7141.4155.2-76.40000110.8
236P56.1Low42.9Very low114 Ų114137.2 Ų137.274%0.7480%0.803SS**PPolyproline II helixtrans-99.8159.1-164.138.6-33.5000113.6
237P55.3Low43.3Very low121 Ų121136.4 Ų136.479%0.78680%0.796SS**PPolyproline II helixtrans-97.2145.4159.734.4-28.2000111.9
238P52.6Low43.5Very low125 Ų125136.4 Ų136.481%0.81280%0.795SS**PPolyproline II helixtrans-89.4150.7178.734.4-32.4000114
239A34.4Very low43.5Very low88 Ų88137.1 Ų137.173%0.72779%0.793SS**  trans58.199145.400000120.3T241A239-T241 PolarHBondContact O-N 3.47Å
240I41.8Very low44.3Very low173 Ų173135.1 Ų135.189%0.88779%0.792SS**  trans-9.5114.8133.648.1169.5000115.7
241T39.6Very low45.4Very low135 Ų135129.4 Ų129.483%0.82877%0.772SS**  trans-120.5125.6150.8-173.20000108.6A239 H243A239-T241 PolarHBondContact O-N 3.47Å; T241-H243 PolarHBondContact O-N 2.97Å
242S44.3Very low46.8Very low105 Ų105128.5 Ų128.573%0.73476%0.762SS**  trans-67.7114.4-175.5-570000110.9
243H42.4Very low48Very low190 Ų190129.6 Ų129.688%0.8876%0.759SS**  trans-135.196.9145.7-100-49.2000110.1T241 Q245T241-H243 PolarHBondContact O-N 2.97Å; H243-Q245 PolarHBondContact O-N 3.15Å
244S37.2Very low48.6Very low106 Ų106130 Ų13074%0.74175%0.754SS**  trans-46.8126.3163.3-740000111.1
245Q41.2Very low50.4Low183 Ų183130.6 Ų130.686%0.85575%0.748SS**  30107.9128.9-55.3-170.122.900116.9H243H243-Q245 PolarHBondContact O-N 3.15Å
246R40.4Very low51.2Low232 Ų232129.5 Ų129.588%0.87573%0.731SS**  -164.2101119.2-119.5174.8171.4158.6-2.3111.4
247A43.3Very low51.7Low84 Ų84127.8 Ų127.869%0.69472%0.722SS**  trans-67.2152.6141.300000108.4
248C45.4Very low52.6Low106 Ų106129.5 Ų129.572%0.71672%0.722SS**  trans75.596.5164.6-39.50000115.2
249L47.1Very low53.2Low160 Ų160132.6 Ų132.684%0.83872%0.718SS**  177126.4111.1-83.6176.5000105.1D251L249-D251 PolarHBondContact O-N 2.83Å
250G53.4Low54.8Low74 Ų74134 Ų13476%0.76371%0.713SS**  trans-53117.1169.600000107.8L252G250-L252 PolarHBondContact O-N 3.34Å; G250-L252 VanDerWaalsContact O-N 3.12Å
251D64.6Low55.7Low96 Ų96131.5 Ų131.551%0.51371%0.708SS.*  trans-59120.6175.5-173.50.1000106.8L249 R253 D254 M255L249-D251 PolarHBondContact O-N 2.83Å; D251-R253 PolarHBondContact O-N 3.08Å; D251-R253 WeakPolarHBondContact OD1-CB 3.5Å; D251-R253 PolarHBondContact OD1-N 3.39Å; D251-D254 PolarHBondContact O-N 3.18Å; D251-M255 PolarHBondContact O-N 3.24Å; D251-M255 VanDerWaalsContact O-N 3.17Å
252L67.6Low56.6Low107 Ų107131.3 Ų131.356%0.5671%0.709SS**Hα-helixtrans-55.5-25.2179.5-177.360.3000110.4G250 M255 I256G250-L252 PolarHBondContact O-N 3.34Å; G250-L252 VanDerWaalsContact O-N 3.12Å; L252-M255 HydrophobicContact CD1-CE 3.28Å; L252-M255 PolarHBondContact O-N 3.08Å; L252-I256 HydrophobicContact CD1-CD1 4.15Å; L252-I256 HydrophobicContact CD1-CG1 4.34Å; L252-I256 HydrophobicContact CD2-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.82Å; L252-I256 HydrophobicContact CG-CG1 4.44Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.25Å
253R63.3Low56.4Low193 Ų193130 Ų13073%0.72871%0.713SS**Hα-helixtrans-66.1-39.9174.8-131.5162.4-175.2-114.9-2.1113.6D251 S257D251-R253 PolarHBondContact O-N 3.08Å; D251-R253 WeakPolarHBondContact OD1-CB 3.5Å; D251-R253 PolarHBondContact OD1-N 3.39Å; R253-S257 WeakPolarHBondContact O-CB 3.17Å; R253-S257 PolarHBondContact O-N 3.44Å; R253-S257 VanDerWaalsContact O-N 3.13Å; R253-S257 PolarHBondContact O-OG 3.19Å
254D66.1Low56.1Low123 Ų123124.7 Ų124.766%0.65871%0.709SS**Hα-helixtrans-72.9-35.6174.5-107.12.8000111.3D251 S257 M258D251-D254 PolarHBondContact O-N 3.18Å; D254-S257 PolarHBondContact O-N 3.26Å; D254-M258 PolarHBondContact O-N 3.14Å
255M76.9Confident56.4Low113 Ų113127.1 Ų127.156%0.55771%0.714SS**Hα-helixtrans-69-36.1177.8-170.4166.65200112.5D251 L252 Y259D251-M255 PolarHBondContact O-N 3.24Å; D251-M255 VanDerWaalsContact O-N 3.17Å; L252-M255 HydrophobicContact CD1-CE 3.28Å; L252-M255 PolarHBondContact O-N 3.08Å; M255-Y259 WeakPolarHBondContact O-CD2 3.22Å
256I61.9Low56.2Low91 Ų91123.9 Ų123.947%0.46771%0.711SS.*Hα-helixtrans-75.7-34.4176.3-67.5166.3000111.2L252 M258 Y259 L260L252-I256 HydrophobicContact CD1-CD1 4.15Å; L252-I256 HydrophobicContact CD1-CG1 4.34Å; L252-I256 HydrophobicContact CD2-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.82Å; L252-I256 HydrophobicContact CG-CG1 4.44Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.25Å; I256-M258 PolarHBondContact O-N 3.03Å; I256-Y259 PolarHBondContact O-N 3.25Å; I256-Y259 VanDerWaalsContact O-N 3.09Å; I256-L260 HydrophobicContact CG2-CD1 4.43Å; I256-L260 PolarHBondContact O-N 3Å
257S67.8Low56.3Low78 Ų78117.2 Ų117.255%0.54571%0.706SS.*Hα-helixtrans-66.8-22-179.2-60.70000113.7R253 D254 Y259R253-S257 WeakPolarHBondContact O-CB 3.17Å; R253-S257 PolarHBondContact O-N 3.44Å; R253-S257 VanDerWaalsContact O-N 3.13Å; R253-S257 PolarHBondContact O-OG 3.19Å; D254-S257 PolarHBondContact O-N 3.26Å; S257-Y259 VanDerWaalsContact C-N 3.3Å; S257-Y259 PolarHBondContact O-N 3.28Å
258M73Confident55.8Low157 Ų157121.7 Ų121.777%0.77371%0.713SS**THydrogen-bonded Turntrans-71.1-21.2172.2-77.1-120.8-55.200114.4D254 I256D254-M258 PolarHBondContact O-N 3.14Å; I256-M258 PolarHBondContact O-N 3.03Å
259Y65.1Low55.6Low190 Ų190125.5 Ų125.575%0.74572%0.719SS**THydrogen-bonded Turntrans-107.4-2.7-175.7-69.8-83.1000113.6M255 I256 S257M255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I256-Y259 PolarHBondContact O-N 3.25Å; I256-Y259 VanDerWaalsContact O-N 3.09Å; S257-Y259 VanDerWaalsContact C-N 3.3Å; S257-Y259 PolarHBondContact O-N 3.28Å
260L67.6Low54.9Low118 Ų118123 Ų12362%0.61872%0.715SS**SBendtrans-99.8124.8168.8-100.266.4000109.5I256I256-L260 HydrophobicContact CG2-CD1 4.43Å; I256-L260 PolarHBondContact O-N 3Å
261P62.4Low54Low120 Ų120124.1 Ų124.178%0.77971%0.712SS**PPolyproline II helixtrans-63.4138.6176.823.6-30.2000110.7G263P261-G263 PolarHBondContact O-N 3.2Å
262P57.7Low52.8Low131 Ų131126.6 Ų126.685%0.85172%0.724SS**SBendtrans-79125.5-17731.2-31.1000110.1
263G40.9Very low51.5Low79 Ų79130.1 Ų130.181%0.81474%0.737SS**  trans98108.3158.200000115.4P261P261-G263 PolarHBondContact O-N 3.2Å
264G34.8Very low50.3Low77 Ų77126.1 Ų126.179%0.79474%0.739SS**  trans-159.253.8166.600000109.4S266G264-S266 PolarHBondContact O-N 3.37Å
265D43.2Very low49.2Very low157 Ų157125.1 Ų125.184%0.8474%0.742SS**  trans-72112.1168.4-55-34.3000107.6
266S37.7Very low47.2Very low115 Ų115131.6 Ų131.680%0.80476%0.76SS**  trans162119.4137.4-72.70000111G264G264-S266 PolarHBondContact O-N 3.37Å
267A42.7Very low46.3Very low93 Ų93134.2 Ų134.277%0.76977%0.774SS**  trans43.5111.513800000119.3
268E33.4Very low44.8Very low178 Ų178139.1 Ų139.183%0.83279%0.788SS**  171.1108.4116.5-91.6-84.8131.200108.8
269H39.5Very low42.9Very low186 Ų186137.2 Ų137.286%0.86179%0.79SS**  trans-68.1122.5154.9-90.7-105000107.2
270S32.8Very low41.9Very low106 Ų106133.9 Ų133.974%0.74179%0.789SS**  trans176.5132.4135-83.80000114.4
271S34.5Very low40.5Very low99 Ų99136.4 Ų136.469%0.69280%0.798SS**  trans92.3110.3137.375.60000120.9
272L39.8Very low40.1Very low148 Ų148135.2 Ų135.278%0.77579%0.79SS**  trans76.8105.1133.2-56.9166.8000117.2
273Q41.2Very low39Very low180 Ų180135.9 Ų135.984%0.84178%0.781SS**  5695.573.6-161.5-176.449.700112.2
274S36.4Very low38.7Very low109 Ų109141.2 Ų141.276%0.76278%0.778SS**  -175.8117.6125-149.10000112.3
275S43.4Very low38.8Very low102 Ų102144.2 Ų144.271%0.71377%0.772SS**  trans-46.9136.5150.2460000113.1
276R34.8Very low38.4Very low249 Ų249142.4 Ų142.494%0.9477%0.766SS**  trans-173.8129.6133.1-107.2166.9-166.5-134.13113.7
277L42.9Very low38.4Very low146 Ų146141.8 Ų141.876%0.76477%0.768SS**  trans-62.2157.4160.6-66.1162.5000111.6
278H37.3Very low38.1Very low182 Ų182140.2 Ų140.284%0.84376%0.761SS**  trans115.1126.4149.9-6294.1000117.6
279S32.5Very low38.5Very low117 Ų117139.2 Ų139.282%0.81877%0.767SS**  117.8128.4124.3-151.40000117.1
280V44.3Very low38.5Very low120 Ų120133.5 Ų133.573%0.72776%0.758SS**  trans-77.2164173.3-164.30000109.7
281H39Very low39.1Very low170 Ų170134.8 Ų134.879%0.78776%0.762SS**  trans91.6159163.8-87.369.2000118.1
282P52.5Low39.4Very low95 Ų95137.5 Ų137.562%0.61777%0.768SS**  cis-142.8-177.2-47.938-19.1000114.3
283H34.8Very low39.6Very low145 Ų145134.1 Ų134.167%0.67177%0.769SS**  trans71.3129.5151.2-110.9-72.4000118.8
284Y35.3Very low40.2Very low191 Ų191131.6 Ų131.675%0.74977%0.766SS**  -158.7139.260.2-106-100.5000114
285Q37.8Very low41.2Very low141 Ų141134 Ų13466%0.65977%0.77SS**  trans34.9145.8130.1-69.5-175.429.800120.1
286T33.6Very low41.7Very low119 Ų119135.6 Ų135.673%0.7378%0.778SS**  cis-178.7166.511.7-102.40000107.4
287A37.6Very low42.3Very low102 Ų102131.2 Ų131.284%0.84377%0.772SS**  trans99.2122.9167.300000113.7
288G35.8Very low43.1Very low60 Ų60130.7 Ų130.762%0.61978%0.775SS**  cis158.6147.46.200000107.3
289T42.8Very low43.6Very low157 Ų157130.9 Ų130.996%0.96378%0.776SS**  trans75.1130.7177.879.60000115.1
290G38.5Very low44.5Very low65 Ų65136.9 Ų136.967%0.6780%0.796SS**  cis-179.4157.7-1.900000108.9
291V45.9Very low44.5Very low134 Ų134137.7 Ų137.781%0.81280%0.8SS**  trans75.696.5157.2-56.40000121.4
292N41.4Very low44.7Very low155 Ų155136 Ų13683%0.82980%0.8SS**  trans67.293.9131.8-67.3-62.6000120.3
293G42.8Very low44.3Very low77 Ų77138.3 Ų138.379%0.79481%0.811SS**  trans-118.9120.7150.800000110.2
294T54.4Low44.9Very low128 Ų128137.9 Ų137.979%0.78582%0.819SS**  trans-124103.9167.4-52.50000109.2
295L57.3Low45.5Very low158 Ų158134.6 Ų134.683%0.82782%0.823SS**  trans10.8137.6152-52.8171.4000120.7
296P53.7Low46Very low136 Ų136134.1 Ų134.188%0.88383%0.834SS**  trans-92.3122.9156.933.8-26.4000111.3
297L49Very low46.9Very low157 Ų157135.2 Ų135.282%0.82284%0.842SS**  trans-136.7120.6169.2-17174.4000107.9
298T58.4Low47.6Very low135 Ų135137.8 Ų137.883%0.82884%0.841SS**  171.9110.8128.349.70000110.1
299H48Very low48.6Very low187 Ų187144.3 Ų144.387%0.86686%0.86SS**  trans-81.1134.9142.1-94.4-77.8000107.4
300I50.5Low49.1Very low242 Ų242143.1 Ų143.1100%1.24185%0.851SS**  trans-160.80131.5-84.6146.1000105.6

Retrieved 300 of 300 residues in 217.2 ms (Link to these results)