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Class E basic helix-loop-helix protein 41

Transcriptional repressor involved in the regulation of the circadian rhythm by negatively regulating the activity of the clock genes and clock-controlled genes. Acts as the negative limb of a novel autoregulatory feedback loop (DEC loop) which differs from the one formed by the PER and CRY transcriptional repressors (PER/CRY loop). Both these loops are interlocked as it represses the expression of PER1 and in turn is repressed by PER1/2 and CRY1/2. Represses the activity of the circadian transcriptional activator: CLOCK-BMAL1 heterodimer by competing for the binding to E-box elements (5'-CACGTG-3') found within the promoters of its target genes. Negatively regulates its own expression and the expression of DBP and BHLHE41/DEC2. Acts as a corepressor of RXR and the RXR-LXR heterodimers and represses the ligand-induced RXRA/B/G, NR1H3/LXRA, NR1H4 and VDR transactivation activity. Inhibits HNF1A-mediated transactivation of CYP1A2, CYP2E1 and CYP3A111.

AlphaFold DB , UniProt , Accession Q99PV5, Species MOUSE (Mus musculus, Mouse), Gene Bhlhe41, Length 410 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
1M50Low47.2Very low239 Ų239155.9 Ų155.9100%1.17780%0.801SS**  066.90-63.9-175.414000104.4
2D43.8Very low47Very low144 Ų144158.3 Ų158.377%0.7781%0.806SS**  64.9148.266.2-142.4-78000111.3
3E58.9Low46.7Very low181 Ų181157.5 Ų157.585%0.84680%0.803SS**  trans76112.7-159.2-38.9-64.9119.700113.7
4G50.9Low46.3Very low81 Ų81153.6 Ų153.684%0.83578%0.784SS**  cis160.7105.66.400000107.9
5I47.8Very low46.2Very low167 Ų167154 Ų15486%0.85678%0.782SS**  trans-88.9161.6164.4-24.2168.3000105.8
6P47.1Very low46.2Very low108 Ų108154.5 Ų154.570%0.70178%0.78SS**  cis-150.8-156.525.638.9-12.8000115.2
7H41.5Very low46.2Very low142 Ų142156.9 Ų156.966%0.65778%0.777SS**  trans91.691.4170.9-103-91.6000117.4E10H7-E10 IonicContact CE1-OE2 2.7Å; H7-E10 PolarHBondContact CE1-OE2 3.13Å; H7-E10 IonicContact ND1-OE2 2.67Å
8L42.7Very low46.3Very low146 Ų146155.1 Ų155.176%0.76477%0.771SS**  trans-16230.9132.2-100.5-179.7000112.4E10 R11L8-E10 PolarHBondContact O-N 3.31Å; L8-R11 HydrophobicContact CD2-CB 4.38Å
9Q45.4Very low46.2Very low187 Ų187156.2 Ų156.287%0.87477%0.771SS**THydrogen-bonded Turntrans-78.4-2171.5-157.894.137.300112.5
10E47.9Very low46.6Very low130 Ų130155.8 Ų155.861%0.60777%0.771SS**THydrogen-bonded Turntrans-101.4-5.5-170.5-161.1160-17000114.5H7 L8H7-E10 IonicContact CE1-OE2 2.7Å; H7-E10 PolarHBondContact CE1-OE2 3.13Å; H7-E10 IonicContact ND1-OE2 2.67Å; L8-E10 PolarHBondContact O-N 3.31Å
11R43.6Very low46.5Very low190 Ų190151.6 Ų151.672%0.71777%0.767SS**SBendtrans-85.2-16.1-179.4-156.4-178173.2136.73.1114.1L8L8-R11 HydrophobicContact CD2-CB 4.38Å
12Q44Very low46.5Very low185 Ų185146.1 Ų146.186%0.86474%0.742SS**THydrogen-bonded Turntrans-98.4-7.7-170.8-147.41671.300114.2
13L43Very low46.6Very low147 Ų147145.1 Ų145.177%0.7774%0.737SS**THydrogen-bonded Turntrans-110.5-11.6179.4-122.5168.8000113.5
14L41.6Very low46.3Very low103 Ų103145.5 Ų145.554%0.53973%0.731SS.*THydrogen-bonded Turntrans-91.6-23.4179.6-16458.2000113.1H16 R17L14-H16 PolarHBondContact O-N 3.06Å; L14-H16 VanDerWaalsContact O-N 3.16Å; L14-R17 PolarHBondContact O-N 2.87Å
15E44.9Very low46.2Very low160 Ų160146.5 Ų146.575%0.74873%0.726SS**THydrogen-bonded Turntrans-68.3-10.8174.6-70.4-101.5125.800113.4
16H46.8Very low46.4Very low162 Ų162143.7 Ų143.775%0.7572%0.721SS**THydrogen-bonded Turntrans-98.8-2.8179.2-145.416.9000114.5L14L14-H16 PolarHBondContact O-N 3.06Å; L14-H16 VanDerWaalsContact O-N 3.16Å
17R46.3Very low47.1Very low196 Ų196144.7 Ų144.774%0.7472%0.72SS**THydrogen-bonded Turntrans-109.3-12.5-177.6-121.6174.189.8165.44.4115.5L14L14-R17 PolarHBondContact O-N 2.87Å
18D47.2Very low47.7Very low124 Ų124147.6 Ų147.666%0.66373%0.726SS**G310 helixtrans-98.2-1.3-177.9-63.4-29.2000114.2I20D18-I20 VanDerWaalsContact C-N 3.27Å; D18-I20 PolarHBondContact O-N 3.13Å
19F43.8Very low48.2Very low175 Ų175148.7 Ų148.777%0.76873%0.73SS**G310 helixtrans-80.9-5.1170.5-152.8-98.6000113.4
20I54.1Low48.2Very low149 Ų149145.4 Ų145.476%0.76473%0.726SS**G310 helixtrans-97.10.7178.4-59.9167.7000111.3D18D18-I20 VanDerWaalsContact C-N 3.27Å; D18-I20 PolarHBondContact O-N 3.13Å
21G46.2Very low48.3Very low67 Ų67148.2 Ų148.269%0.69174%0.736SS**  trans-94.97.8-176.800000116.4D23G21-D23 PolarHBondContact O-N 3.49Å
22L50.3Low48.9Very low124 Ų124145.6 Ų145.665%0.64974%0.744SS**SBendtrans-78.9106.5171.1-88.5152.9000109Y24L22-Y24 WeakPolarHBondContact O-CD2 3.48Å; L22-Y24 PolarHBondContact O-N 3.41Å
23D45.5Very low49.2Very low124 Ų124145 Ų14566%0.66374%0.738SS**  trans-35.2103.3166.3-178.2-50.8000111.4G21 S25G21-D23 PolarHBondContact O-N 3.49Å; D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 VanDerWaalsContact OD1-CA 3.27Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.32Å; D23-S25 PolarHBondContact OD1-N 3.04Å
24Y51.1Low50Low188 Ų188148.7 Ų148.774%0.73774%0.742SS**THydrogen-bonded Turntrans-87.421.5172.4-101.2-90000111.4L22 L27L22-Y24 WeakPolarHBondContact O-CD2 3.48Å; L22-Y24 PolarHBondContact O-N 3.41Å; Y24-L27 HydrophobicContact CD1-CD1 3.86Å; Y24-L27 HydrophobicContact CE1-CD1 3.88Å
25S50Low50.2Low103 Ų103149.1 Ų149.172%0.7275%0.754SS**THydrogen-bonded Turntrans-95.8-3.4-179-79.80000114.1D23D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 VanDerWaalsContact OD1-CA 3.27Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.32Å; D23-S25 PolarHBondContact OD1-N 3.04Å
26S52.6Low51Low108 Ų108148.7 Ų148.776%0.75576%0.756SS**SBendtrans-944.2173.1-167.80000115.4
27L60Low51.4Low129 Ų129150 Ų15068%0.67576%0.759SS**SBendtrans-93.45.1178.4-65.8-179.9000114.4Y24Y24-L27 HydrophobicContact CD1-CD1 3.86Å; Y24-L27 HydrophobicContact CE1-CD1 3.88Å
28Y55.4Low51.8Low203 Ų203152 Ų15280%0.79677%0.767SS**SBendtrans-111.935.6-176-106.6-88.7000114.4
29M52.8Low52.4Low169 Ų169151.7 Ų151.783%0.83377%0.765SS**  trans-142.146.7169.7-82.8-60145.300113
30C45.6Very low53.2Low118 Ų118147.2 Ų147.280%0.79775%0.749SS**  trans-106.699.9165-80.90000109.2P32C30-P32 WeakPolarHBondContact O-CD 3.42Å
31K50.5Low53.6Low188 Ų188145.2 Ų145.282%0.81774%0.744SS**  trans-62.4113.2172.4-63-137175-177.20109.3K33K31-K33 PolarHBondContact O-N 3.36Å
32P55.6Low54.6Low135 Ų135148.9 Ų148.988%0.87774%0.741SS**  trans-84.691.4176.910.28.4000107.6C30C30-P32 WeakPolarHBondContact O-CD 3.42Å
33K50.2Low55.5Low173 Ų173146.1 Ų146.175%0.75273%0.727SS**  trans-116.486.7169.1-159.7-179.7-174.6174.20108.9K31K31-K33 PolarHBondContact O-N 3.36Å
34R59.2Low56.7Low224 Ų224144.4 Ų144.485%0.84572%0.721SS**SBendtrans153.8103.7146.5-82.9168.5-146.7104-12.8109.8
35S46.2Very low57.7Low113 Ų113144 Ų14479%0.7972%0.72SS**  trans53.773.4144.5-47.10000118.9K37S35-K37 PolarHBondContact O-N 3.03Å
36L61.8Low59Low151 Ų151143.8 Ų143.879%0.79171%0.706SS**  trans-79.986.7154.5-167.375.1000108D40L36-D40 WeakPolarHBondContact CD1-OD2 3.38Å
37K55.1Low60.3Low189 Ų189143.6 Ų143.682%0.82270%0.696SS**  trans-112.194.7172.9-84.7-134.6174.6-176.10109.6S35 D39S35-K37 PolarHBondContact O-N 3.03Å; K37-D39 PolarHBondContact O-N 2.97Å
38R55.7Low61.8Low237 Ų237140.6 Ų140.689%0.89468%0.684SS**SBendtrans60.351.7138.9-155.9-176.4-169.5149.94.2117.5
39D59Low63.6Low119 Ų119137.1 Ų137.164%0.63668%0.675SS**  trans-141.6-7.6163.7-123.6-77.7000115.3K37 T41 K42K37-D39 PolarHBondContact O-N 2.97Å; D39-T41 VanDerWaalsContact C-N 3.32Å; D39-T41 PolarHBondContact O-N 3.23Å; D39-K42 PolarHBondContact O-N 3.43Å
40D61.3Low65.6Low80 Ų80137.8 Ų137.843%0.42867%0.668SS.*Hα-helixtrans-72.6-12.3-169.3-54.6-92.1000116.4L36 K42 D43 T44L36-D40 WeakPolarHBondContact CD1-OD2 3.38Å; D40-K42 PolarHBondContact O-N 3.44Å; D40-D43 PolarHBondContact O-N 3.1Å; D40-T44 PolarHBondContact O-N 3.32Å; D40-T44 PolarHBondContact O-OG1 3.48Å
41T62.5Low67.9Low108 Ų108137.6 Ų137.666%0.66366%0.658SS**Hα-helixtrans-63.4-35.6178.5-43.60000110.7D39 Y45D39-T41 VanDerWaalsContact C-N 3.32Å; D39-T41 PolarHBondContact O-N 3.23Å; T41-Y45 HydrophobicContact CG2-CE2 4.22Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å
42K65.9Low70Confident144 Ų144134.2 Ų134.263%0.62665%0.648SS**Hα-helixtrans-74.3-35.2178.8-156.5178.8178.4176.50111.6D39 D40 K46D39-K42 PolarHBondContact O-N 3.43Å; D40-K42 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.38Å; K42-K46 PolarHBondContact O-N 2.96Å
43D69.8Low72Confident66 Ų66130 Ų13035%0.35362%0.616SS.*Hα-helixtrans-75-29.8179.7-65.8-54.3000113D40 Y45 K46 L47D40-D43 PolarHBondContact O-N 3.1Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; D43-Y45 PolarHBondContact O-N 3.3Å; D43-K46 PolarHBondContact O-N 3.49Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-K46 WeakPolarHBondContact OD1-CD 3.5Å; D43-K46 WeakPolarHBondContact OD1-CE 3.17Å; D43-K46 IonicContact OD1-NZ 3.91Å; D43-K46 PolarHBondContact OD1-NZ 2.89Å; D43-L47 PolarHBondContact O-N 2.81Å; D43-L47 VanDerWaalsContact O-N 3.07Å
44T71.2Confident74.2Confident88 Ų88127.5 Ų127.554%0.5461%0.606SS.*Hα-helixtrans-63.7-36.9175-56.30000111.9D40 P48D40-T44 PolarHBondContact O-N 3.32Å; D40-T44 PolarHBondContact O-OG1 3.48Å; T44-P48 WeakPolarHBondContact O-CD 3.3Å
45Y71.1Confident76Confident180 Ų180124.8 Ų124.871%0.70660%0.6SS**Hα-helixtrans-78.1-27172.3-68.7-76.1000113.3T41 D43 L47 P48 H49T41-Y45 HydrophobicContact CG2-CE2 4.22Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; D43-Y45 PolarHBondContact O-N 3.3Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.19Å; Y45-P48 WeakPolarHBondContact O-CD 3.42Å; Y45-H49 WeakPolarHBondContact O-CB 3.41Å; Y45-H49 PolarHBondContact O-N 3.3Å
46K77Confident78.4Confident97 Ų97125.2 Ų125.242%0.42258%0.584SS.*Hα-helixtrans-68.1-30.3175.7-72.1173.8-146.6164.60112.5K42 D43 R50K42-K46 VanDerWaalsContact O-CG 3.26Å; K42-K46 WeakPolarHBondContact O-CG 3.38Å; K42-K46 PolarHBondContact O-N 2.96Å; D43-K46 PolarHBondContact O-N 3.49Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-K46 WeakPolarHBondContact OD1-CD 3.5Å; D43-K46 WeakPolarHBondContact OD1-CE 3.17Å; D43-K46 IonicContact OD1-NZ 3.91Å; D43-K46 PolarHBondContact OD1-NZ 2.89Å; K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.06Å
47L80.6Confident80.2Confident105 Ų105123.4 Ų123.455%0.5557%0.567SS.*Hα-helixtrans-63.9-54.8178-79.7160.5000112D43 Y45 H49 R50 L51D43-L47 PolarHBondContact O-N 2.81Å; D43-L47 VanDerWaalsContact O-N 3.07Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.19Å; L47-H49 PolarHBondContact O-N 3.48Å; L47-R50 PolarHBondContact O-N 3.11Å; L47-L51 VanDerWaalsContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CD1 3.34Å; L47-L51 PolarHBondContact O-N 2.95Å
48P91.7Very high82.2Confident65 Ų65118.4 Ų118.442%0.42255%0.549SS..Hα-helixtrans-55.9-45.6170.5-26.233.7000112.6T44 Y45 R50 L51 I52T44-P48 WeakPolarHBondContact O-CD 3.3Å; Y45-P48 WeakPolarHBondContact O-CD 3.42Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.86Å; P48-L51 PolarHBondContact O-N 3.24Å; P48-L51 VanDerWaalsContact O-N 3.16Å; P48-I52 WeakPolarHBondContact O-CB 3.49Å; P48-I52 WeakPolarHBondContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CG1 3.32Å; P48-I52 PolarHBondContact O-N 3.39Å
49H93.5Very high84.2Confident130 Ų130114.7 Ų114.760%0.60254%0.535SS*.Hα-helixtrans-59.9-42.4178.2-177.6-110.6000111.9Y45 L47 L51 I52 E53Y45-H49 WeakPolarHBondContact O-CB 3.41Å; Y45-H49 PolarHBondContact O-N 3.3Å; L47-H49 PolarHBondContact O-N 3.48Å; H49-L51 PolarHBondContact O-N 2.8Å; H49-I52 PolarHBondContact O-N 2.82Å; H49-E53 WeakPolarHBondContact O-CB 3.41Å; H49-E53 PolarHBondContact O-N 3.37Å
50R93.6Very high86Confident183 Ų183112.1 Ų112.169%0.69152%0.521SS*.Hα-helixtrans-64.3-39.1176.4-175.4179.4174.7-177-1.3112K46 L47 P48 K54K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.06Å; L47-R50 PolarHBondContact O-N 3.11Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.86Å; R50-K54 VanDerWaalsContact O-CB 3.23Å; R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 2.96Å
51L95.4Very high87.7Confident115 Ų115111.6 Ų111.660%0.60252%0.518SS*.Hα-helixtrans-69.4-45.3176.5-93.673.5000111.9L47 P48 H49 K54 K55L47-L51 VanDerWaalsContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CD1 3.34Å; L47-L51 PolarHBondContact O-N 2.95Å; P48-L51 PolarHBondContact O-N 3.24Å; P48-L51 VanDerWaalsContact O-N 3.16Å; H49-L51 PolarHBondContact O-N 2.8Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.12Å; L51-K55 PolarHBondContact O-N 2.92Å
52I94.2Very high89.4Confident116 Ų116112.1 Ų112.160%0.59551%0.513SS*.Hα-helixtrans-60.9-48.3177.8-67.7163.2000110.2P48 H49 K54 K55 R56P48-I52 WeakPolarHBondContact O-CB 3.49Å; P48-I52 WeakPolarHBondContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CG1 3.32Å; P48-I52 PolarHBondContact O-N 3.39Å; H49-I52 PolarHBondContact O-N 2.82Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.47Å; I52-K55 PolarHBondContact O-N 2.9Å; I52-R56 PolarHBondContact O-N 3.48Å
53E96.6Very high90.9Very high46 Ų46108.1 Ų108.122%0.21550%0.502CS..Hα-helixtrans-68.3-33.3179.3171.554.9-159.100111.8H49 R56 R57H49-E53 WeakPolarHBondContact O-CB 3.41Å; H49-E53 PolarHBondContact O-N 3.37Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-NH1 3.13Å; E53-R56 PolarHBondContact OE1-NH1 3.23Å; E53-R56 VanDerWaalsContact OE1-NH1 3.13Å; E53-R56 WeakPolarHBondContact OE2-CD 3.29Å; E53-R56 IonicContact OE2-CZ 2.81Å; E53-R56 IonicContact OE2-NH1 3.13Å; E53-R56 PolarHBondContact OE2-NH1 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 WeakPolarHBondContact OE1-CG 3.44Å; E53-R57 IonicContact OE1-CZ 2.78Å; E53-R57 IonicContact OE1-NH1 3.72Å; E53-R57 PolarHBondContact OE1-NH1 2.94Å
54K96.1Very high92.1Very high121 Ų121106 Ų10653%0.52649%0.491SS..Hα-helixtrans-60.7-49.7169.5-177.3-177.3174.8-172.40110.8R50 L51 I52 R56 R57 D58R50-K54 VanDerWaalsContact O-CB 3.23Å; R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 2.96Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.12Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.47Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.43Å; K54-R57 VanDerWaalsContact O-N 3.09Å; K54-D58 VanDerWaalsContact O-CG 3.25Å; K54-D58 PolarHBondContact O-N 2.87Å
55K97.1Very high93.2Very high168 Ų168104 Ų10473%0.7348%0.483SS*.Hα-helixtrans-58.8-40.6178-171.8177.3-179.8-179.40112.1L51 I52 D58 R59L51-K55 PolarHBondContact O-N 2.92Å; I52-K55 PolarHBondContact O-N 2.9Å; K55-D58 PolarHBondContact O-N 2.92Å; K55-R59 PolarHBondContact O-N 3.37Å; K55-R59 VanDerWaalsContact O-N 3.13Å
56R98Very high94.4Very high122 Ų122100.6 Ų100.646%0.4647%0.474SS..Hα-helixtrans-60.2-46.3173.4175.9178.5161.2-92.7-4.6111.8I52 E53 K54 R59 I60I52-R56 PolarHBondContact O-N 3.48Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-NH1 3.13Å; E53-R56 PolarHBondContact OE1-NH1 3.23Å; E53-R56 VanDerWaalsContact OE1-NH1 3.13Å; E53-R56 WeakPolarHBondContact OE2-CD 3.29Å; E53-R56 IonicContact OE2-CZ 2.81Å; E53-R56 IonicContact OE2-NH1 3.13Å; E53-R56 PolarHBondContact OE2-NH1 3.45Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.87Å; R56-R59 PolarHBondContact O-N 3.04Å; R56-I60 HydrophobicContact CG-CD1 4.17Å; R56-I60 WeakPolarHBondContact O-CG1 3.45Å; R56-I60 PolarHBondContact O-N 3.24Å; R56-I60 VanDerWaalsContact O-N 3.13Å
57R97.9Very high95.3Very high113 Ų11398.4 Ų98.443%0.42647%0.466SS..Hα-helixtrans-65.2-40.2178.5-75.3-168.5-66.9-104.20.9112.9E53 K54 I60 N61E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 WeakPolarHBondContact OE1-CG 3.44Å; E53-R57 IonicContact OE1-CZ 2.78Å; E53-R57 IonicContact OE1-NH1 3.72Å; E53-R57 PolarHBondContact OE1-NH1 2.94Å; K54-R57 PolarHBondContact O-N 3.43Å; K54-R57 VanDerWaalsContact O-N 3.09Å; R57-I60 PolarHBondContact O-N 3.37Å; R57-N61 VanDerWaalsContact O-CG 3.27Å; R57-N61 PolarHBondContact O-N 3.42Å; R57-N61 PolarHBondContact O-ND2 2.93Å
58D97.7Very high95.9Very high84 Ų8496.6 Ų96.645%0.44945%0.454SS..Hα-helixtrans-62-45.3178.8-65.5-21.1000110.3K54 K55 I60 N61 E62K54-D58 VanDerWaalsContact O-CG 3.25Å; K54-D58 PolarHBondContact O-N 2.87Å; K55-D58 PolarHBondContact O-N 2.92Å; D58-I60 PolarHBondContact O-N 3.16Å; D58-N61 PolarHBondContact O-N 3.42Å; D58-E62 PolarHBondContact O-N 3.16Å
59R98Very high95.9Very high159 Ų15999.5 Ų99.560%0.647%0.466SS*.Hα-helixtrans-58.2-44.8173-172-177.869.7-155.13.3113.1K55 R56 N61 E62 C63K55-R59 PolarHBondContact O-N 3.37Å; K55-R59 VanDerWaalsContact O-N 3.13Å; R56-R59 PolarHBondContact O-N 3.04Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.3Å; R59-E62 PolarHBondContact O-N 2.87Å; R59-C63 PolarHBondContact O-N 3.49Å; R59-C63 VanDerWaalsContact O-N 3.08Å; R59-C63 PolarHBondContact O-SG 2.88Å; R59-C63 VanDerWaalsContact O-SG 3.34Å
60I97.3Very high96Very high65 Ų6599.5 Ų99.533%0.33347%0.47SS..Hα-helixtrans-62.7-42.2177.6-69168000110.9R56 R57 D58 E62 C63 I64R56-I60 HydrophobicContact CG-CD1 4.17Å; R56-I60 WeakPolarHBondContact O-CG1 3.45Å; R56-I60 PolarHBondContact O-N 3.24Å; R56-I60 VanDerWaalsContact O-N 3.13Å; R57-I60 PolarHBondContact O-N 3.37Å; D58-I60 PolarHBondContact O-N 3.16Å; I60-E62 VanDerWaalsContact C-N 3.34Å; I60-C63 PolarHBondContact O-N 3.43Å; I60-I64 HydrophobicContact CG2-CD1 3.83Å; I60-I64 HydrophobicContact CG2-CG1 4.48Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.19Å; I60-I64 PolarHBondContact O-N 3.19Å
61N96.9Very high95.9Very high68 Ų6891 Ų9136%0.36444%0.438SS..Hα-helixtrans-66.4-36.9179.3-69.5-30.8000112R57 D58 R59 I64 A65 K85R57-N61 VanDerWaalsContact O-CG 3.27Å; R57-N61 PolarHBondContact O-N 3.42Å; R57-N61 PolarHBondContact O-ND2 2.93Å; D58-N61 PolarHBondContact O-N 3.42Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.3Å; N61-I64 PolarHBondContact O-N 2.94Å; N61-A65 PolarHBondContact O-N 2.86Å; N61-K85 WeakPolarHBondContact OD1-CE 3.45Å; N61-K85 PolarHBondContact OD1-NZ 3.44Å
62E97.6Very high95.8Very high120 Ų12086.8 Ų86.856%0.56142%0.418SS*.Hα-helixtrans-61.6-48.9173.8-176.4173-152.600111.6D58 R59 I60 I64 A65 Q66D58-E62 PolarHBondContact O-N 3.16Å; R59-E62 PolarHBondContact O-N 2.87Å; I60-E62 VanDerWaalsContact C-N 3.34Å; E62-I64 VanDerWaalsContact C-N 3.31Å; E62-I64 PolarHBondContact O-N 2.78Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 2.82Å; E62-A65 VanDerWaalsContact O-N 3.11Å; E62-Q66 WeakPolarHBondContact O-CG 3.27Å; E62-Q66 PolarHBondContact O-N 3.47Å
63C97Very high95.6Very high59 Ų5988.7 Ų88.740%0.39942%0.424SS..Hα-helixtrans-59.3-41175-62.80000112R59 I60 A65 Q66 L67R59-C63 PolarHBondContact O-N 3.49Å; R59-C63 VanDerWaalsContact O-N 3.08Å; R59-C63 PolarHBondContact O-SG 2.88Å; R59-C63 VanDerWaalsContact O-SG 3.34Å; I60-C63 PolarHBondContact O-N 3.43Å; C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 3.4Å; C63-Q66 PolarHBondContact O-N 2.72Å; C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 3.27Å
64I95.5Very high95.1Very high22 Ų2292.9 Ų92.911%0.11344%0.443CS..Hα-helixtrans-64.7-37177.1-67.3167.5000111.2I60 N61 E62 L67 K68 K85 V88I60-I64 HydrophobicContact CG2-CD1 3.83Å; I60-I64 HydrophobicContact CG2-CG1 4.48Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.19Å; I60-I64 PolarHBondContact O-N 3.19Å; N61-I64 PolarHBondContact O-N 2.94Å; E62-I64 VanDerWaalsContact C-N 3.31Å; E62-I64 PolarHBondContact O-N 2.78Å; I64-L67 PolarHBondContact O-N 2.97Å; I64-K68 WeakPolarHBondContact O-CG 3.4Å; I64-K68 PolarHBondContact O-N 2.77Å; I64-K85 HydrophobicContact CD1-CD 4.04Å; I64-K85 HydrophobicContact CD1-CG 4.22Å; I64-K85 HydrophobicContact CG2-CG 4.49Å; I64-V88 HydrophobicContact CG2-CG1 4.33Å
65A94.3Very high94.7Very high46 Ų4688.7 Ų88.738%0.3843%0.426SS..Hα-helixtrans-65.3-43.4175.100000111.6N61 E62 C63 L67 K68 D69N61-A65 PolarHBondContact O-N 2.86Å; E62-A65 WeakPolarHBondContact O-CB 3.38Å; E62-A65 PolarHBondContact O-N 2.82Å; E62-A65 VanDerWaalsContact O-N 3.11Å; C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 3.4Å; A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 3.31Å; A65-K68 VanDerWaalsContact O-CB 3.29Å; A65-K68 WeakPolarHBondContact O-CB 3.34Å; A65-K68 PolarHBondContact O-N 3.3Å; A65-K68 VanDerWaalsContact O-N 3.12Å; A65-D69 PolarHBondContact O-N 2.93Å
66Q96.2Very high94.3Very high109 Ų10983.3 Ų83.351%0.50940%0.403SS..Hα-helixtrans-60.7-42.9174.2-68.2173.6-22.900112.2E62 C63 K68 D69 L70E62-Q66 WeakPolarHBondContact O-CG 3.27Å; E62-Q66 PolarHBondContact O-N 3.47Å; C63-Q66 PolarHBondContact O-N 2.72Å; Q66-K68 VanDerWaalsContact C-N 3.3Å; Q66-K68 PolarHBondContact O-N 2.67Å; Q66-D69 PolarHBondContact O-N 3.35Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 3.38Å
67L95.7Very high93.8Very high51 Ų5183.7 Ų83.727%0.26741%0.413SS..Hα-helixtrans-61.3-39174.6-71-177.2000111.9C63 I64 A65 D69 L71 V88 L89 T92C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 3.27Å; I64-L67 PolarHBondContact O-N 2.97Å; A65-L67 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 3.31Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.77Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.39Å; L67-V88 HydrophobicContact CB-CG1 3.85Å; L67-L89 HydrophobicContact CD1-CD2 4.05Å; L67-T92 HydrophobicContact CD1-CG2 4.34Å; L67-T92 HydrophobicContact CD2-CG2 3.74Å; L67-T92 HydrophobicContact CG-CG2 4.47Å
68K93.1Very high93.2Very high67 Ų6783 Ų8329%0.29142%0.422SS..Hα-helixtrans-58.6-45.7173-75.4175.5173.6-162.80111I64 A65 Q66 L71 K76 L83 V88I64-K68 WeakPolarHBondContact O-CG 3.4Å; I64-K68 PolarHBondContact O-N 2.77Å; A65-K68 VanDerWaalsContact O-CB 3.29Å; A65-K68 WeakPolarHBondContact O-CB 3.34Å; A65-K68 PolarHBondContact O-N 3.3Å; A65-K68 VanDerWaalsContact O-N 3.12Å; Q66-K68 VanDerWaalsContact C-N 3.3Å; Q66-K68 PolarHBondContact O-N 2.67Å; K68-L71 PolarHBondContact O-N 3.22Å; K68-K76 WeakPolarHBondContact O-CE 3.27Å; K68-K76 PolarHBondContact O-NZ 2.91Å; K68-L83 WeakPolarHBondContact CE-O 3.47Å; K68-L83 HydrophobicContact CG-CD1 4.4Å; K68-L83 PolarHBondContact NZ-O 3.47Å; K68-V88 HydrophobicContact CD-CG2 3.93Å; K68-V88 HydrophobicContact CG-CB 4.23Å; K68-V88 HydrophobicContact CG-CG1 3.76Å; K68-V88 HydrophobicContact CG-CG2 3.34Å
69D93.1Very high92.5Very high126 Ų12680.7 Ų80.767%0.67441%0.411SS*.Hα-helixtrans-68.9-38.3-176-66.3-25.4000112.4A65 Q66 L67 L71 K76A65-D69 PolarHBondContact O-N 2.93Å; Q66-D69 PolarHBondContact O-N 3.35Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.77Å; D69-L71 PolarHBondContact O-N 3.45Å; D69-K76 PolarHBondContact O-NZ 3.45Å
70L93.9Very high91.4Very high129 Ų12981 Ų8168%0.67542%0.424SS*.Hα-helixtrans-67.1-17.7176.5-70.4173.1000114.3Q66Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 3.38Å
71L93.2Very high90.4Very high5 Ų580.8 Ų80.83%0.02644%0.437CS..SBendtrans-67.7133.9179.1-78171.9000112L67 K68 D69 L75 K76 V88 L91 H95L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.39Å; K68-L71 PolarHBondContact O-N 3.22Å; D69-L71 PolarHBondContact O-N 3.45Å; L71-L75 HydrophobicContact CD2-CD1 4.34Å; L71-K76 HydrophobicContact CB-CD 4.49Å; L71-K76 HydrophobicContact CB-CG 3.98Å; L71-K76 WeakPolarHBondContact O-CE 3.32Å; L71-K76 PolarHBondContact O-NZ 2.82Å; L71-V88 HydrophobicContact CD1-CG1 4.37Å; L71-L91 HydrophobicContact CD1-CB 3.72Å; L71-L91 HydrophobicContact CD1-CD1 4.18Å; L71-L91 VanDerWaalsContact CD2-C 3.49Å; L71-L91 HydrophobicContact CD2-CB 3.76Å; L71-L91 HydrophobicContact CG-CB 4.41Å; L71-H95 HydrophobicContact CD2-CB 4.2Å
72P91.9Very high89.8Confident27 Ų2783.2 Ų83.218%0.17545%0.446CS..  trans-56.2144170.8-25.532.3000113.2H74 L75 K76 H95P72-H74 VanDerWaalsContact C-N 3.28Å; P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.48Å; P72-H74 PolarHBondContact O-N 2.99Å; P72-L75 HydrophobicContact CG-CD1 4.35Å; P72-L75 PolarHBondContact O-N 3.44Å; P72-K76 PolarHBondContact O-N 2.7Å; P72-K76 VanDerWaalsContact O-N 3.1Å; P72-H95 VanDerWaalsContact CG-CE1 3.43Å; P72-H95 WeakPolarHBondContact CG-CE1 3.39Å; P72-H95 WeakPolarHBondContact CG-ND1 3.32Å
73E89.8Confident89.2Confident156 Ų15678.9 Ų78.973%0.72943%0.426SS*.Hα-helixtrans-54.9-41.5-177.9-66.5-178.2176.500113L75 K76 L77E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.32Å; E73-K76 WeakPolarHBondContact O-CB 3.5Å; E73-K76 PolarHBondContact O-N 2.89Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 2.93Å
74H87.7Confident89Confident134 Ų13481.1 Ų81.162%0.6243%0.431SS*.Hα-helixtrans-62.4-31.4178.461.3-93.5000113P72P72-H74 VanDerWaalsContact C-N 3.28Å; P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.48Å; P72-H74 PolarHBondContact O-N 2.99Å
75L87.2Confident88.8Confident32 Ų3285.6 Ų85.617%0.16845%0.45CS..Hα-helixtrans-77.7-35.7173.7-68.6-175.8000111.5L71 P72 E73 T78 L91 H95L71-L75 HydrophobicContact CD2-CD1 4.34Å; P72-L75 HydrophobicContact CG-CD1 4.35Å; P72-L75 PolarHBondContact O-N 3.44Å; E73-L75 VanDerWaalsContact C-N 3.26Å; E73-L75 PolarHBondContact O-N 3.32Å; L75-T78 WeakPolarHBondContact O-CG2 3.27Å; L75-T78 PolarHBondContact O-N 3.2Å; L75-L91 HydrophobicContact CB-CD1 4.49Å; L75-L91 HydrophobicContact CB-CD2 4.25Å; L75-L91 HydrophobicContact CD2-CD2 4.35Å; L75-L91 VanDerWaalsContact O-CD1 3.27Å; L75-L91 WeakPolarHBondContact O-CD1 3.27Å; L75-H95 HydrophobicContact CD1-CB 3.89Å
76K88.5Confident88.8Confident55 Ų5586.6 Ų86.624%0.23946%0.458CS..Hα-helixtrans-62.8-44.6175.6-65.9169.7167.31540111.5K68 D69 L71 P72 E73 T78 T79 L83K68-K76 WeakPolarHBondContact O-CE 3.27Å; K68-K76 PolarHBondContact O-NZ 2.91Å; D69-K76 PolarHBondContact O-NZ 3.45Å; L71-K76 HydrophobicContact CB-CD 4.49Å; L71-K76 HydrophobicContact CB-CG 3.98Å; L71-K76 WeakPolarHBondContact O-CE 3.32Å; L71-K76 PolarHBondContact O-NZ 2.82Å; P72-K76 PolarHBondContact O-N 2.7Å; P72-K76 VanDerWaalsContact O-N 3.1Å; E73-K76 WeakPolarHBondContact O-CB 3.5Å; E73-K76 PolarHBondContact O-N 2.89Å; E73-K76 VanDerWaalsContact O-N 3.1Å; K76-T78 VanDerWaalsContact C-N 3.26Å; K76-T78 PolarHBondContact O-N 3.22Å; K76-T79 PolarHBondContact O-N 3.46Å; K76-T79 PolarHBondContact O-OG1 2.9Å; K76-L83 HydrophobicContact CB-CD1 4.39Å; K76-L83 HydrophobicContact CG-CD1 4.12Å
77L87.5Confident88.7Confident130 Ų13082.8 Ų82.868%0.68144%0.442SS*.Hα-helixtrans-68.3-21.8-177.8-67.8172.1000113.6E73 T79 L80E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 2.93Å; L77-T79 PolarHBondContact O-N 2.78Å; L77-T79 VanDerWaalsContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.31Å
78T86.2Confident88.6Confident98 Ų9880.4 Ų80.460%0.60143%0.43SS*.THydrogen-bonded Turntrans-59.4-26.3177-154.70000113L75 K76 L91L75-T78 WeakPolarHBondContact O-CG2 3.27Å; L75-T78 PolarHBondContact O-N 3.2Å; K76-T78 VanDerWaalsContact C-N 3.26Å; K76-T78 PolarHBondContact O-N 3.22Å; T78-L91 HydrophobicContact CG2-CD1 4.38Å; T78-L91 HydrophobicContact CG2-CD2 3.86Å
79T82.4Confident88.7Confident36 Ų3681.6 Ų81.622%0.22144%0.439CS..THydrogen-bonded Turntrans-105.816.6-179.959.70000113.1K76 L77 G81 H82 L83 V87 L91K76-T79 PolarHBondContact O-N 3.46Å; K76-T79 PolarHBondContact O-OG1 2.9Å; L77-T79 PolarHBondContact O-N 2.78Å; L77-T79 VanDerWaalsContact O-N 3.13Å; T79-G81 PolarHBondContact O-N 3.01Å; T79-G81 VanDerWaalsContact O-N 3.11Å; T79-H82 WeakPolarHBondContact O-CB 3.23Å; T79-H82 PolarHBondContact O-N 3.3Å; T79-L83 WeakPolarHBondContact OG1-CD2 3.42Å; T79-V87 HydrophobicContact CG2-CG1 3.38Å; T79-L91 HydrophobicContact CG2-CD1 4.48Å
80L74.8Confident88.8Confident167 Ų16780.6 Ų80.687%0.87443%0.43SS*.THydrogen-bonded Turntrans5727.5177.3-154.5123000113.2L77 H82L77-L80 PolarHBondContact O-N 3.31Å; L80-H82 VanDerWaalsContact C-N 3.32Å
81G76.6Confident88.8Confident59 Ų5974.7 Ų74.761%0.60840%0.399SS*.THydrogen-bonded Turntrans84.1-4.2-176.300000115.1T79 L83T79-G81 PolarHBondContact O-N 3.01Å; T79-G81 VanDerWaalsContact O-N 3.11Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.47Å
82H83.3Confident89Confident119 Ų11975.4 Ų75.455%0.55140%0.404SS*.  trans-84.268.8178.3-161.765.7000111.7T79 L80 E84T79-H82 WeakPolarHBondContact O-CB 3.23Å; T79-H82 PolarHBondContact O-N 3.3Å; L80-H82 VanDerWaalsContact C-N 3.32Å; H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 VanDerWaalsContact CD2-CG 3.44Å; H82-E84 WeakPolarHBondContact CD2-CG 3.28Å; H82-E84 IonicContact CD2-OE1 2.7Å; H82-E84 IonicContact CE1-OE1 3.74Å; H82-E84 WeakPolarHBondContact NE2-CG 3.32Å; H82-E84 IonicContact NE2-OE1 3.87Å; H82-E84 PolarHBondContact NE2-OE1 3.5Å; H82-E84 PolarHBondContact O-N 3.06Å
83L86Confident89.2Confident29 Ų2978.5 Ų78.515%0.15242%0.418CS..  trans-81.576.4178.7-67.9174.9000111.1K68 K76 T79 G81 V87 V88 L91K68-L83 WeakPolarHBondContact CE-O 3.47Å; K68-L83 HydrophobicContact CG-CD1 4.4Å; K68-L83 PolarHBondContact NZ-O 3.47Å; K76-L83 HydrophobicContact CB-CD1 4.39Å; K76-L83 HydrophobicContact CG-CD1 4.12Å; T79-L83 WeakPolarHBondContact OG1-CD2 3.42Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.47Å; L83-V87 HydrophobicContact CD2-CG1 3.9Å; L83-V88 HydrophobicContact CB-CG2 3.9Å; L83-L91 HydrophobicContact CD2-CD1 3.68Å
84E91.5Very high89.4Confident106 Ų10676.1 Ų76.150%0.49541%0.405SS..  trans-60.3156.2166.9-59.2-169157.700111H82 A86 V87 V88H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 VanDerWaalsContact CD2-CG 3.44Å; H82-E84 WeakPolarHBondContact CD2-CG 3.28Å; H82-E84 IonicContact CD2-OE1 2.7Å; H82-E84 IonicContact CE1-OE1 3.74Å; H82-E84 WeakPolarHBondContact NE2-CG 3.32Å; H82-E84 IonicContact NE2-OE1 3.87Å; H82-E84 PolarHBondContact NE2-OE1 3.5Å; H82-E84 PolarHBondContact O-N 3.06Å; E84-A86 PolarHBondContact O-N 2.78Å; E84-A86 VanDerWaalsContact O-N 3.16Å; E84-V87 HydrophobicContact CB-CB 4.43Å; E84-V87 HydrophobicContact CB-CG2 4.09Å; E84-V87 WeakPolarHBondContact O-CB 3.42Å; E84-V87 PolarHBondContact O-N 2.77Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.3Å
85K92.7Very high89.8Confident116 Ų11671.9 Ų71.950%0.50439%0.386SS..Hα-helixtrans-54.1-40.3-178.2-68.3-174.9170.9-173.20112.5N61 I64 L89N61-K85 WeakPolarHBondContact OD1-CE 3.45Å; N61-K85 PolarHBondContact OD1-NZ 3.44Å; I64-K85 HydrophobicContact CD1-CD 4.04Å; I64-K85 HydrophobicContact CD1-CG 4.22Å; I64-K85 HydrophobicContact CG2-CG 4.49Å; K85-L89 WeakPolarHBondContact O-CG 3.21Å; K85-L89 PolarHBondContact O-N 3Å
86A93.5Very high90.3Very high67 Ų6774.8 Ų74.855%0.55440%0.401SS*.Hα-helixtrans-66.9-44.1177.200000112.3E84 V88 L89 E90E84-A86 PolarHBondContact O-N 2.78Å; E84-A86 VanDerWaalsContact O-N 3.16Å; A86-V88 VanDerWaalsContact C-N 3.34Å; A86-V88 PolarHBondContact O-N 2.85Å; A86-L89 PolarHBondContact O-N 3.45Å; A86-E90 PolarHBondContact O-N 2.74Å
87V93.8Very high90.7Very high30 Ų3078.7 Ų78.718%0.18242%0.418CS..Hα-helixtrans-60.4-42.8178.8173.90000111.3T79 L83 E84 L89 E90 L91T79-V87 HydrophobicContact CG2-CG1 3.38Å; L83-V87 HydrophobicContact CD2-CG1 3.9Å; E84-V87 HydrophobicContact CB-CB 4.43Å; E84-V87 HydrophobicContact CB-CG2 4.09Å; E84-V87 WeakPolarHBondContact O-CB 3.42Å; E84-V87 PolarHBondContact O-N 2.77Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.89Å; V87-E90 PolarHBondContact O-N 2.7Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.17Å
88V94.2Very high91.1Very high0 Ų075.3 Ų75.30%041%0.409CS..Hα-helixtrans-57.9-48.3176177.60000111.1I64 L67 K68 L71 L83 E84 A86 E90 L91 T92I64-V88 HydrophobicContact CG2-CG1 4.33Å; L67-V88 HydrophobicContact CB-CG1 3.85Å; K68-V88 HydrophobicContact CD-CG2 3.93Å; K68-V88 HydrophobicContact CG-CB 4.23Å; K68-V88 HydrophobicContact CG-CG1 3.76Å; K68-V88 HydrophobicContact CG-CG2 3.34Å; L71-V88 HydrophobicContact CD1-CG1 4.37Å; L83-V88 HydrophobicContact CB-CG2 3.9Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.3Å; A86-V88 VanDerWaalsContact C-N 3.34Å; A86-V88 PolarHBondContact O-N 2.85Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.09Å; V88-L91 PolarHBondContact O-N 2.94Å; V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.47Å; V88-T92 PolarHBondContact O-N 2.82Å; V88-T92 PolarHBondContact O-OG1 2.85Å
89L95.5Very high91.6Very high93 Ų9374 Ų7449%0.48740%0.398SS..Hα-helixtrans-63.3-40.9-179.4-66.1172.7000111.1L67 K85 A86 V87 T92 L93L67-L89 HydrophobicContact CD1-CD2 4.05Å; K85-L89 WeakPolarHBondContact O-CG 3.21Å; K85-L89 PolarHBondContact O-N 3Å; A86-L89 PolarHBondContact O-N 3.45Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.89Å; L89-T92 PolarHBondContact O-N 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.28Å
90E94.2Very high92.3Very high105 Ų10576.7 Ų76.749%0.49141%0.414SS..Hα-helixtrans-65.5-47.7177.9-169-172.8151.700112.3A86 V87 V88 T92 L93 K94A86-E90 PolarHBondContact O-N 2.74Å; V87-E90 PolarHBondContact O-N 2.7Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.09Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 3.42Å; E90-L93 PolarHBondContact O-N 2.67Å; E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 WeakPolarHBondContact OE1-CE 3.48Å; E90-K94 IonicContact OE1-NZ 3.51Å; E90-K94 PolarHBondContact OE1-NZ 3.34Å
91L94.7Very high93.4Very high5 Ų571.3 Ų71.33%0.02639%0.394CS..Hα-helixtrans-64.5-37.2177.3-68177.4000111.4L71 L75 T78 T79 L83 V87 V88 L93 K94 H95L71-L91 HydrophobicContact CD1-CB 3.72Å; L71-L91 HydrophobicContact CD1-CD1 4.18Å; L71-L91 VanDerWaalsContact CD2-C 3.49Å; L71-L91 HydrophobicContact CD2-CB 3.76Å; L71-L91 HydrophobicContact CG-CB 4.41Å; L75-L91 HydrophobicContact CB-CD1 4.49Å; L75-L91 HydrophobicContact CB-CD2 4.25Å; L75-L91 HydrophobicContact CD2-CD2 4.35Å; L75-L91 VanDerWaalsContact O-CD1 3.27Å; L75-L91 WeakPolarHBondContact O-CD1 3.27Å; T78-L91 HydrophobicContact CG2-CD1 4.38Å; T78-L91 HydrophobicContact CG2-CD2 3.86Å; T79-L91 HydrophobicContact CG2-CD1 4.48Å; L83-L91 HydrophobicContact CD2-CD1 3.68Å; V87-L91 HydrophobicContact CG1-CD1 3.84Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.17Å; V88-L91 PolarHBondContact O-N 2.94Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.29Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.29Å; L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.31Å
92T96.3Very high94.3Very high19 Ų1972.3 Ų72.312%0.11739%0.385CS..Hα-helixtrans-63.2-44.1176.8-58.30000109.6L67 V88 L89 E90 K94 H95 L96L67-T92 HydrophobicContact CD1-CG2 4.34Å; L67-T92 HydrophobicContact CD2-CG2 3.74Å; L67-T92 HydrophobicContact CG-CG2 4.47Å; V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.47Å; V88-T92 PolarHBondContact O-N 2.82Å; V88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 PolarHBondContact O-N 3.23Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 3.42Å; T92-K94 PolarHBondContact O-N 3.23Å; T92-H95 PolarHBondContact O-N 2.82Å; T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.13Å; T92-L96 WeakPolarHBondContact O-CG 3.39Å; T92-L96 PolarHBondContact O-N 2.81Å
93L96Very high94.9Very high93 Ų9370.7 Ų70.749%0.48738%0.384SS..Hα-helixtrans-62.8-41.8175.9-175.565.6000112L89 E90 L91 K97L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 2.67Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 3.29Å; L93-K97 HydrophobicContact CG-CD 4.47Å; L93-K97 WeakPolarHBondContact O-CB 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.11Å
94K94.9Very high95.4Very high105 Ų10574.7 Ų74.746%0.45740%0.401SS..Hα-helixtrans-60.9-44.5174.7-73.5175.9-175.5165.10111.3E90 L91 T92 K97 A98E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 WeakPolarHBondContact OE1-CE 3.48Å; E90-K94 IonicContact OE1-NZ 3.51Å; E90-K94 PolarHBondContact OE1-NZ 3.34Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.29Å; T92-K94 PolarHBondContact O-N 3.23Å; K94-K97 PolarHBondContact O-N 3.46Å; K94-A98 PolarHBondContact O-N 3.18Å
95H96.1Very high95.6Very high46 Ų4675.7 Ų75.721%0.21341%0.406CS..Hα-helixtrans-64.8-46.5178.5-176.148.2000112.2L71 P72 L75 L91 T92 K97 A98 L99L71-H95 HydrophobicContact CD2-CB 4.2Å; P72-H95 VanDerWaalsContact CG-CE1 3.43Å; P72-H95 WeakPolarHBondContact CG-CE1 3.39Å; P72-H95 WeakPolarHBondContact CG-ND1 3.32Å; L75-H95 HydrophobicContact CD1-CB 3.89Å; L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.31Å; T92-H95 PolarHBondContact O-N 2.82Å; H95-K97 PolarHBondContact O-N 3.4Å; H95-A98 WeakPolarHBondContact O-CB 3.26Å; H95-A98 PolarHBondContact O-N 3.25Å; H95-A98 VanDerWaalsContact O-N 3.17Å; H95-L99 WeakPolarHBondContact NE2-CD1 3.45Å; H95-L99 WeakPolarHBondContact O-CG 3.42Å; H95-L99 PolarHBondContact O-N 3.36Å
96L96.7Very high95.7Very high93 Ų9375.3 Ų75.349%0.48741%0.406SS..Hα-helixtrans-60.7-43.4177.1-72.2175.5000111.7T92 A98 L99 T100T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.13Å; T92-L96 WeakPolarHBondContact O-CG 3.39Å; T92-L96 PolarHBondContact O-N 2.81Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-T100 PolarHBondContact O-N 2.84Å; L96-T100 PolarHBondContact O-OG1 2.8Å
97K97Very high95.8Very high137 Ų13777.2 Ų77.260%0.59640%0.404SS*.Hα-helixtrans-59.8-42.2174.4-75.2178.2177.1-178.70112.2L93 K94 H95 T100 A101L93-K97 HydrophobicContact CG-CD 4.47Å; L93-K97 WeakPolarHBondContact O-CB 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.11Å; K94-K97 PolarHBondContact O-N 3.46Å; H95-K97 PolarHBondContact O-N 3.4Å; K97-T100 PolarHBondContact O-N 3.1Å; K97-A101 WeakPolarHBondContact O-CB 3.15Å; K97-A101 PolarHBondContact O-N 3.29Å
98A96.1Very high95.8Very high59 Ų5981.1 Ų81.149%0.48842%0.42SS..Hα-helixtrans-65-41.617600000112K94 H95 L96 A101 L102K94-A98 PolarHBondContact O-N 3.18Å; H95-A98 WeakPolarHBondContact O-CB 3.26Å; H95-A98 PolarHBondContact O-N 3.25Å; H95-A98 VanDerWaalsContact O-N 3.17Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.45Å; A98-A101 PolarHBondContact O-N 2.95Å; A98-L102 WeakPolarHBondContact O-CB 3.33Å; A98-L102 PolarHBondContact O-N 3.18Å
99L97.2Very high95.6Very high71 Ų7187.9 Ų87.937%0.37245%0.449SS..Hα-helixtrans-64.6-41.1174.9-73.6178.7000112.2H95 L96 L102 T103H95-L99 WeakPolarHBondContact NE2-CD1 3.45Å; H95-L99 WeakPolarHBondContact O-CG 3.42Å; H95-L99 PolarHBondContact O-N 3.36Å; L96-L99 PolarHBondContact O-N 3.32Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-T103 WeakPolarHBondContact O-CB 3.47Å; L99-T103 PolarHBondContact O-N 3.45Å; L99-T103 PolarHBondContact O-OG1 2.9Å
100T97Very high95.4Very high91 Ų9187.4 Ų87.456%0.55845%0.446SS*.Hα-helixtrans-61.9-46.6174.8-56.90000110.9L96 K97 L102 T103 E104L96-T100 PolarHBondContact O-N 2.84Å; L96-T100 PolarHBondContact O-OG1 2.8Å; K97-T100 PolarHBondContact O-N 3.1Å; T100-L102 PolarHBondContact O-N 2.94Å; T100-T103 PolarHBondContact O-N 3.39Å; T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.1Å
101A97.1Very high95.1Very high55 Ų5585.1 Ų85.146%0.45544%0.437SS..Hα-helixtrans-62.2-40.717700000112.4K97 A98 E104 Q105K97-A101 WeakPolarHBondContact O-CB 3.15Å; K97-A101 PolarHBondContact O-N 3.29Å; A98-A101 PolarHBondContact O-N 2.95Å; A101-E104 PolarHBondContact O-N 2.98Å; A101-Q105 WeakPolarHBondContact O-CB 3.34Å; A101-Q105 PolarHBondContact O-N 3.23Å
102L96.9Very high94.8Very high79 Ų7988 Ų8841%0.41446%0.462SS..Hα-helixtrans-63.9-43174.6179.264.2000111.7A98 L99 T100 Q105 Q106A98-L102 WeakPolarHBondContact O-CB 3.33Å; A98-L102 PolarHBondContact O-N 3.18Å; L99-L102 PolarHBondContact O-N 3.41Å; T100-L102 PolarHBondContact O-N 2.94Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 WeakPolarHBondContact O-CG 3.43Å; L102-Q106 PolarHBondContact O-N 3.34Å
103T96.4Very high94.3Very high86 Ų8691.3 Ų91.353%0.52848%0.478SS..Hα-helixtrans-64.6-41.9178.1-55.90000110.7L99 T100 Q106 H107L99-T103 WeakPolarHBondContact O-CB 3.47Å; L99-T103 PolarHBondContact O-N 3.45Å; L99-T103 PolarHBondContact O-OG1 2.9Å; T100-T103 PolarHBondContact O-N 3.39Å; T103-Q106 PolarHBondContact O-N 3.45Å; T103-H107 WeakPolarHBondContact O-CB 3.37Å; T103-H107 PolarHBondContact O-N 3.13Å
104E95.7Very high93.7Very high112 Ų11293.8 Ų93.852%0.52349%0.487SS..Hα-helixtrans-63.5-44175-171.3-179177.200111.4T100 A101 Q106 H107 Q108T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.1Å; A101-E104 PolarHBondContact O-N 2.98Å; E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 2.85Å; E104-H107 PolarHBondContact O-N 3.43Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 3.45Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å
105Q95.1Very high92.8Very high127 Ų12795 Ų9559%0.59350%0.498SS*.Hα-helixtrans-60.9-42.9174.8-172.6-171.18.700111.8A101 L102 Q108 K109A101-Q105 WeakPolarHBondContact O-CB 3.34Å; A101-Q105 PolarHBondContact O-N 3.23Å; L102-Q105 PolarHBondContact O-N 2.87Å; Q105-Q108 PolarHBondContact O-N 2.92Å; Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 PolarHBondContact O-N 3.49Å
106Q95.2Very high90.8Very high108 Ų10894 Ų9451%0.50550%0.5SS..Hα-helixtrans-65.1-41175.6-75.2-178.5-800111.6L102 T103 E104 K109 I110L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 WeakPolarHBondContact O-CG 3.43Å; L102-Q106 PolarHBondContact O-N 3.34Å; T103-Q106 PolarHBondContact O-N 3.45Å; E104-Q106 VanDerWaalsContact C-N 3.35Å; E104-Q106 PolarHBondContact O-N 2.85Å; Q106-K109 WeakPolarHBondContact O-CB 3.38Å; Q106-K109 PolarHBondContact O-N 3.04Å; Q106-I110 VanDerWaalsContact O-CG1 3.26Å; Q106-I110 WeakPolarHBondContact O-CG1 3.32Å; Q106-I110 PolarHBondContact O-N 2.93Å
107H95.3Very high88.8Confident108 Ų10899.2 Ų99.250%0.552%0.522SS..Hα-helixtrans-62.7-46.1176.1-17764.6000111.6T103 E104 K109 I110 I111T103-H107 WeakPolarHBondContact O-CB 3.37Å; T103-H107 PolarHBondContact O-N 3.13Å; E104-H107 PolarHBondContact O-N 3.43Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3.45Å; H107-I110 PolarHBondContact O-N 3.19Å; H107-I111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.83Å
108Q93.2Very high86.6Confident111 Ų111102.8 Ų102.852%0.51953%0.532SS..Hα-helixtrans-60.3-39.9173.4-70.4175.214.800111.6E104 Q105 I111 A112E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 3.45Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å; Q105-Q108 PolarHBondContact O-N 2.92Å; Q108-I111 PolarHBondContact O-N 2.91Å; Q108-A112 VanDerWaalsContact O-CB 3.26Å; Q108-A112 WeakPolarHBondContact O-CB 2.99Å; Q108-A112 PolarHBondContact O-N 3.28Å
109K91Very high84.3Confident143 Ų143102.5 Ų102.562%0.62253%0.527SS*.Hα-helixtrans-63.5-44174.2-172.7176.4-178.6178.40111.5Q105 Q106 H107 A112 L113Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 PolarHBondContact O-N 3.49Å; Q106-K109 WeakPolarHBondContact O-CB 3.38Å; Q106-K109 PolarHBondContact O-N 3.04Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3.45Å; K109-A112 PolarHBondContact O-N 3.45Å; K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.47Å; K109-L113 PolarHBondContact O-N 3.33Å
110I90.6Very high82.1Confident83 Ų83106.9 Ų106.943%0.42655%0.55SS..Hα-helixtrans-62.8-46.6176.8-68.7162.7000110.4Q106 H107 A112 L113 Q114Q106-I110 VanDerWaalsContact O-CG1 3.26Å; Q106-I110 WeakPolarHBondContact O-CG1 3.32Å; Q106-I110 PolarHBondContact O-N 2.93Å; H107-I110 PolarHBondContact O-N 3.19Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.34Å; I110-L113 WeakPolarHBondContact O-CB 3.27Å; I110-L113 PolarHBondContact O-N 3Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I110-Q114 HydrophobicContact CG2-CG 4.19Å; I110-Q114 WeakPolarHBondContact O-CB 2.73Å; I110-Q114 WeakPolarHBondContact O-CG 2.98Å; I110-Q114 PolarHBondContact O-N 2.86Å
111I89.7Confident79.8Confident57 Ų57107.6 Ų107.629%0.29255%0.545SS..Hα-helixtrans-60.7-43.7176.1-69.6170.7000110.7H107 Q108 L113 Q114 N115H107-I111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.83Å; Q108-I111 PolarHBondContact O-N 2.91Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.87Å; I111-Q114 PolarHBondContact O-N 3.42Å; I111-N115 WeakPolarHBondContact CG2-ND2 3.47Å; I111-N115 VanDerWaalsContact O-CB 3.24Å; I111-N115 WeakPolarHBondContact O-CB 3.17Å; I111-N115 PolarHBondContact O-N 3.33Å
112A87.4Confident77.8Confident66 Ų66107.3 Ų107.355%0.54554%0.54SS..Hα-helixtrans-62.4-35.1176.900000112.4Q108 K109 I110 G116Q108-A112 VanDerWaalsContact O-CB 3.26Å; Q108-A112 WeakPolarHBondContact O-CB 2.99Å; Q108-A112 PolarHBondContact O-N 3.28Å; K109-A112 PolarHBondContact O-N 3.45Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.34Å; A112-G116 PolarHBondContact O-N 2.75Å
113L84.9Confident76.1Confident88 Ų88109.1 Ų109.146%0.46156%0.556SS.*Hα-helixtrans-72-41.4173.8-67.6172.6000112.1K109 I110 I111 G116 S119K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.47Å; K109-L113 PolarHBondContact O-N 3.33Å; I110-L113 WeakPolarHBondContact O-CB 3.27Å; I110-L113 PolarHBondContact O-N 3Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.87Å; L113-G116 PolarHBondContact O-N 3.23Å; L113-S119 WeakPolarHBondContact CD2-OG 3.4Å
114Q83.4Confident74.8Confident145 Ų145109.1 Ų109.168%0.67856%0.556SS**Hα-helixtrans-73.3-43-178.3-74.6178.9-18.600112.9I110 I111 G116I110-Q114 HydrophobicContact CG2-CG 4.19Å; I110-Q114 WeakPolarHBondContact O-CB 2.73Å; I110-Q114 WeakPolarHBondContact O-CG 2.98Å; I110-Q114 PolarHBondContact O-N 2.86Å; I111-Q114 PolarHBondContact O-N 3.42Å; Q114-G116 PolarHBondContact O-N 2.97Å
115N77.2Confident73.6Confident129 Ų129106.6 Ų106.669%0.6954%0.544SS*.SBendtrans-71.7-14.5175.2-64.4-5.5000111.7I111 E117I111-N115 WeakPolarHBondContact CG2-ND2 3.47Å; I111-N115 VanDerWaalsContact O-CB 3.24Å; I111-N115 WeakPolarHBondContact O-CB 3.17Å; I111-N115 PolarHBondContact O-N 3.33Å; N115-E117 PolarHBondContact O-N 3.17Å
116G54.7Low72.8Confident25 Ų25103.5 Ų103.526%0.25854%0.54SS..  trans-89.879.8-17800000112.6A112 L113 Q114 R118 S119A112-G116 PolarHBondContact O-N 2.75Å; L113-G116 PolarHBondContact O-N 3.23Å; Q114-G116 PolarHBondContact O-N 2.97Å; G116-R118 PolarHBondContact O-N 2.82Å; G116-S119 PolarHBondContact O-N 3.45Å
117E52.8Low72.2Confident203 Ų203103.8 Ų103.895%0.94955%0.545SS*.THydrogen-bonded Turntrans-55.620151.6-142.2-175158.600113N115N115-E117 PolarHBondContact O-N 3.17Å
118R52.1Low71.8Confident212 Ų212101.3 Ų101.380%0.854%0.535SS*.THydrogen-bonded Turntrans-141.213.2176-58.5-170-167.9-96.11.6113.4G116 L120 K121G116-R118 PolarHBondContact O-N 2.82Å; R118-L120 VanDerWaalsContact C-N 3.34Å; R118-K121 WeakPolarHBondContact O-CB 3.37Å; R118-K121 VanDerWaalsContact O-CG 3.31Å; R118-K121 WeakPolarHBondContact O-CG 3.33Å; R118-K121 PolarHBondContact O-N 3.23Å
119S48.2Very low71.5Confident54 Ų5499.1 Ų99.138%0.37853%0.527SS..THydrogen-bonded Turntrans-95.217.6170-156.60000113.4L113 G116L113-S119 WeakPolarHBondContact CD2-OG 3.4Å; G116-S119 PolarHBondContact O-N 3.45Å
120L49.7Very low71.3Confident163 Ų16394.8 Ų94.885%0.85352%0.518SS*.THydrogen-bonded Turntrans-86.714148.2-64-171.2000112.1R118 S122R118-L120 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.87Å
121K48.9Very low71.3Confident106 Ų10695.9 Ų95.946%0.46152%0.52SS..  trans-70.666.9145.8-61.3-146.4169.4-173.70108.7R118 Q125 D129R118-K121 WeakPolarHBondContact O-CB 3.37Å; R118-K121 VanDerWaalsContact O-CG 3.31Å; R118-K121 WeakPolarHBondContact O-CG 3.33Å; R118-K121 PolarHBondContact O-N 3.23Å; K121-Q125 VanDerWaalsContact CA-CB 3.42Å; K121-Q125 HydrophobicContact CB-CB 3.58Å; K121-Q125 HydrophobicContact CB-CG 3.94Å; K121-Q125 HydrophobicContact CD-CB 3.95Å; K121-Q125 HydrophobicContact CD-CG 3.3Å; K121-Q125 VanDerWaalsContact CE-CG 3.48Å; K121-Q125 HydrophobicContact CG-CB 3.71Å; K121-Q125 HydrophobicContact CG-CG 3.46Å; K121-Q125 VanDerWaalsContact CG-CG 3.46Å; K121-D129 IonicContact NZ-OD1 2.91Å; K121-D129 IonicContact NZ-OD2 3.8Å; K121-D129 PolarHBondContact NZ-OD2 3.49Å
122S54.8Low71.3Confident49 Ų4996.3 Ų96.334%0.34352%0.521SS..  trans-51163.9164.664.80000108.3L120 V124 Q125L120-S122 PolarHBondContact O-N 2.87Å; S122-V124 CarbonylContact O-C 3.49Å; S122-V124 PolarHBondContact O-N 2.85Å; S122-V124 WeakPolarHBondContact OG-CB 3.4Å; S122-V124 WeakPolarHBondContact OG-CG2 3.42Å; S122-V124 PolarHBondContact OG-N 2.98Å; S122-Q125 PolarHBondContact O-N 3.44Å
123P61.6Low71.3Confident117 Ų11796.1 Ų96.176%0.7652%0.516SS*.Hα-helixtrans-41.4-26.6169.914.5-31.2000113.6D127P123-D127 WeakPolarHBondContact O-CB 3.2Å; P123-D127 PolarHBondContact O-N 2.86Å
124V68.5Low71.7Confident85 Ų8593.8 Ų93.852%0.51551%0.512SS..Hα-helixtrans-59.3-44170.5-169.80000113.9S122 D127 L128S122-V124 CarbonylContact O-C 3.49Å; S122-V124 PolarHBondContact O-N 2.85Å; S122-V124 WeakPolarHBondContact OG-CB 3.4Å; S122-V124 WeakPolarHBondContact OG-CG2 3.42Å; S122-V124 PolarHBondContact OG-N 2.98Å; V124-D127 CarbonylContact O-C 3.56Å; V124-D127 WeakPolarHBondContact O-CB 3.44Å; V124-D127 PolarHBondContact O-N 3.27Å; V124-L128 HydrophobicContact CG1-CD1 4.29Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.27Å
125Q71.6Confident72.2Confident59 Ų5989 Ų8928%0.27649%0.489SS..Hα-helixtrans-75.3-32.8-179.9-170.67038.800112.6K121 S122 D127 L128 D129K121-Q125 VanDerWaalsContact CA-CB 3.42Å; K121-Q125 HydrophobicContact CB-CB 3.58Å; K121-Q125 HydrophobicContact CB-CG 3.94Å; K121-Q125 HydrophobicContact CD-CB 3.95Å; K121-Q125 HydrophobicContact CD-CG 3.3Å; K121-Q125 VanDerWaalsContact CE-CG 3.48Å; K121-Q125 HydrophobicContact CG-CB 3.71Å; K121-Q125 HydrophobicContact CG-CG 3.46Å; K121-Q125 VanDerWaalsContact CG-CG 3.46Å; S122-Q125 PolarHBondContact O-N 3.44Å; Q125-D127 PolarHBondContact O-N 3.45Å; Q125-L128 PolarHBondContact O-N 2.95Å; Q125-D129 PolarHBondContact NE2-OD1 3Å; Q125-D129 VanDerWaalsContact O-CB 3.31Å; Q125-D129 WeakPolarHBondContact O-CB 3.45Å; Q125-D129 PolarHBondContact O-N 3.06Å
126A78.1Confident73Confident63 Ų6387 Ų8752%0.52148%0.476SS..Hα-helixtrans-61.3-40170.500000110.3D129 A130A126-D129 PolarHBondContact O-N 3.5Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.01Å
127D82.6Confident74.8Confident113 Ų11389.6 Ų89.660%0.60449%0.487SS*.Hα-helixtrans-66.3-40.9173.4-166.835.6000112.5P123 V124 Q125 A130 F131P123-D127 WeakPolarHBondContact O-CB 3.2Å; P123-D127 PolarHBondContact O-N 2.86Å; V124-D127 CarbonylContact O-C 3.56Å; V124-D127 WeakPolarHBondContact O-CB 3.44Å; V124-D127 PolarHBondContact O-N 3.27Å; Q125-D127 PolarHBondContact O-N 3.45Å; D127-A130 PolarHBondContact O-N 2.89Å; D127-F131 VanDerWaalsContact O-CB 3.27Å; D127-F131 WeakPolarHBondContact O-CB 3.33Å; D127-F131 PolarHBondContact O-N 3.45Å
128L86.9Confident76.8Confident56 Ų5683.6 Ų83.629%0.29347%0.466SS..Hα-helixtrans-66.4-39.9174.3-70176.3000112.5V124 Q125 F131 H132V124-L128 HydrophobicContact CG1-CD1 4.29Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.44Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.27Å; Q125-L128 PolarHBondContact O-N 2.95Å; L128-F131 PolarHBondContact O-N 3.47Å; L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.99Å
129D86Confident78.7Confident65 Ų6574.1 Ų74.135%0.34843%0.433SS..Hα-helixtrans-67.6-40.2176.5-70.9-21.9000109.8K121 Q125 A126 H132 S133K121-D129 IonicContact NZ-OD1 2.91Å; K121-D129 IonicContact NZ-OD2 3.8Å; K121-D129 PolarHBondContact NZ-OD2 3.49Å; Q125-D129 PolarHBondContact NE2-OD1 3Å; Q125-D129 VanDerWaalsContact O-CB 3.31Å; Q125-D129 WeakPolarHBondContact O-CB 3.45Å; Q125-D129 PolarHBondContact O-N 3.06Å; A126-D129 PolarHBondContact O-N 3.5Å; D129-H132 PolarHBondContact O-N 3.43Å; D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.43Å
130A88.3Confident80.8Confident53 Ų5377.3 Ų77.344%0.43844%0.441SS..Hα-helixtrans-63.6-47.1173.100000111.3A126 D127 H132 S133 G134A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.01Å; D127-A130 PolarHBondContact O-N 2.89Å; A130-H132 PolarHBondContact O-N 2.78Å; A130-S133 PolarHBondContact O-N 2.67Å; A130-S133 PolarHBondContact O-OG 3.19Å; A130-G134 PolarHBondContact O-N 3.05Å
131F90.3Very high82.9Confident105 Ų10574.6 Ų74.646%0.46142%0.423SS..Hα-helixtrans-57.1-48174.3176-94.6000111.5D127 L128 S133 G134 F135 L173D127-F131 VanDerWaalsContact O-CB 3.27Å; D127-F131 WeakPolarHBondContact O-CB 3.33Å; D127-F131 PolarHBondContact O-N 3.45Å; L128-F131 PolarHBondContact O-N 3.47Å; F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3.16Å; F131-G134 PolarHBondContact O-N 3.12Å; F131-F135 HydrophobicContact CE1-CB 4.46Å; F131-F135 WeakPolarHBondContact O-CB 3.29Å; F131-F135 PolarHBondContact O-N 3.02Å; F131-L173 HydrophobicContact CE1-CB 4.2Å; F131-L173 HydrophobicContact CE1-CD1 3.87Å; F131-L173 HydrophobicContact CZ-CD1 3.86Å
132H89.1Confident84.9Confident67 Ų6772.4 Ų72.431%0.3142%0.419SS..Hα-helixtrans-62.2-40.7178179.9-95.7000111.7L128 D129 A130 G134 F135 Q136L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.99Å; D129-H132 PolarHBondContact O-N 3.43Å; A130-H132 PolarHBondContact O-N 2.78Å; H132-G134 VanDerWaalsContact C-N 3.35Å; H132-F135 PolarHBondContact O-N 2.95Å; H132-Q136 VanDerWaalsContact O-CB 3.23Å; H132-Q136 WeakPolarHBondContact O-CB 3.21Å; H132-Q136 PolarHBondContact O-N 3.27Å
133S88.8Confident86.6Confident62 Ų6272.1 Ų72.143%0.43441%0.413SS..Hα-helixtrans-63.8-40.317579.30000112.1D129 A130 F131 T137D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.43Å; A130-S133 PolarHBondContact O-N 2.67Å; A130-S133 PolarHBondContact O-OG 3.19Å; F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3.16Å; S133-T137 WeakPolarHBondContact O-CB 3.26Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.03Å
134G92.7Very high87.9Confident38 Ų3870.1 Ų70.139%0.39239%0.394SS..Hα-helixtrans-67.2-45.9176.100000112.4A130 F131 H132 T137 C138A130-G134 PolarHBondContact O-N 3.05Å; F131-G134 PolarHBondContact O-N 3.12Å; H132-G134 VanDerWaalsContact C-N 3.35Å; G134-T137 PolarHBondContact O-N 3.42Å; G134-C138 WeakPolarHBondContact O-CB 3.25Å; G134-C138 PolarHBondContact O-N 2.97Å
135F94.3Very high89Confident45 Ų4572.6 Ų72.620%0.19740%0.395CS..Hα-helixtrans-60.1-47174.9-178.1-85000111.1F131 H132 T137 C138 A139 L166 V169 A170 L173F131-F135 HydrophobicContact CE1-CB 4.46Å; F131-F135 WeakPolarHBondContact O-CB 3.29Å; F131-F135 PolarHBondContact O-N 3.02Å; H132-F135 PolarHBondContact O-N 2.95Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.45Å; F135-C138 PolarHBondContact O-N 2.84Å; F135-A139 HydrophobicContact CE1-CB 4.44Å; F135-A139 WeakPolarHBondContact O-CB 3.4Å; F135-A139 PolarHBondContact O-N 2.65Å; F135-L166 HydrophobicContact CE1-CB 4.48Å; F135-L166 VanDerWaalsContact CE1-O 3.3Å; F135-L166 WeakPolarHBondContact CE1-O 3.41Å; F135-L166 HydrophobicContact CZ-CB 4.5Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; F135-L166 WeakPolarHBondContact CZ-O 3.21Å; F135-V169 HydrophobicContact CE2-CG1 4.08Å; F135-V169 HydrophobicContact CZ-CB 4.28Å; F135-V169 HydrophobicContact CZ-CG1 4.01Å; F135-A170 HydrophobicContact CD1-CB 3.83Å; F135-A170 HydrophobicContact CE1-CB 3.62Å; F135-A170 HydrophobicContact CZ-CB 4.39Å; F135-L173 HydrophobicContact CD2-CD1 4.41Å; F135-L173 HydrophobicContact CE2-CD1 4.31Å
136Q92.4Very high89.9Confident88 Ų8871 Ų7141%0.41139%0.388SS..Hα-helixtrans-64.3-35.9179.1-171.1179.570.100111.7H132 K140H132-Q136 VanDerWaalsContact O-CB 3.23Å; H132-Q136 WeakPolarHBondContact O-CB 3.21Å; H132-Q136 PolarHBondContact O-N 3.27Å; Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.2Å
137T93.6Very high90.3Very high78 Ų7870.5 Ų70.548%0.47938%0.384SS..Hα-helixtrans-67.6-47.7175.1-56.10000110.8S133 G134 F135 A139 K140 E141S133-T137 WeakPolarHBondContact O-CB 3.26Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.03Å; G134-T137 PolarHBondContact O-N 3.42Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.45Å; T137-A139 PolarHBondContact O-N 2.99Å; T137-K140 WeakPolarHBondContact O-CB 3.36Å; T137-K140 PolarHBondContact O-N 3.29Å; T137-K140 VanDerWaalsContact O-N 3.16Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.44Å
138C94.4Very high90.6Very high77 Ų7773.4 Ų73.452%0.5239%0.386SS..Hα-helixtrans-57.5-46.3174.6-178.80000111.9G134 F135 K140 E141 V142G134-C138 WeakPolarHBondContact O-CB 3.25Å; G134-C138 PolarHBondContact O-N 2.97Å; F135-C138 PolarHBondContact O-N 2.84Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.16Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.16Å; C138-V142 WeakPolarHBondContact O-CG2 3.48Å; C138-V142 PolarHBondContact O-N 2.97Å
139A92.7Very high90.6Very high13 Ų1377.8 Ų77.811%0.10740%0.403CS..Hα-helixtrans-58.5-42176.100000112.2F135 T137 V142 L143 L166F135-A139 HydrophobicContact CE1-CB 4.44Å; F135-A139 WeakPolarHBondContact O-CB 3.4Å; F135-A139 PolarHBondContact O-N 2.65Å; T137-A139 PolarHBondContact O-N 2.99Å; A139-V142 PolarHBondContact O-N 3.35Å; A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 2.96Å; A139-L143 VanDerWaalsContact O-N 3.1Å; A139-L166 HydrophobicContact CB-CD1 3.85Å
140K91.5Very high90.4Very high122 Ų12280.2 Ų80.253%0.5341%0.413SS..Hα-helixtrans-64.4-42.3174.8-75.4170.6179.4173.70112.1Q136 T137 C138 L143 Q144Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.39Å; Q136-K140 PolarHBondContact O-N 3.2Å; T137-K140 WeakPolarHBondContact O-CB 3.36Å; T137-K140 PolarHBondContact O-N 3.29Å; T137-K140 VanDerWaalsContact O-N 3.16Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.16Å; K140-L143 PolarHBondContact O-N 3.46Å; K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 PolarHBondContact O-N 3.35Å
141E93.6Very high90Very high105 Ų10582.2 Ų82.249%0.49142%0.423SS..Hα-helixtrans-63.6-42.3176.7-71.7-59.8133.700112T137 C138 L143 Q144 Y145T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.44Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.16Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.87Å; E141-Y145 WeakPolarHBondContact O-CB 3.35Å; E141-Y145 PolarHBondContact O-N 3.46Å
142V91.6Very high89.6Confident60 Ų6079.5 Ų79.536%0.36441%0.41SS..Hα-helixtrans-59.2-45.7174.3171.10000110.8C138 A139 Q144 Y145 L146 L162C138-V142 WeakPolarHBondContact O-CG2 3.48Å; C138-V142 PolarHBondContact O-N 2.97Å; A139-V142 PolarHBondContact O-N 3.35Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 2.98Å; V142-Y145 PolarHBondContact O-N 3.32Å; V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.44Å; V142-L146 PolarHBondContact O-N 3.11Å; V142-L162 HydrophobicContact CG1-CD2 4.44Å
143L89.4Confident89.2Confident44 Ų4479.8 Ų79.823%0.2342%0.416CS..Hα-helixtrans-65.5-37.7177.2-67165000111.9A139 K140 E141 A147 L162 V163A139-L143 WeakPolarHBondContact O-CD1 3.46Å; A139-L143 VanDerWaalsContact O-CG 3.25Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 2.96Å; A139-L143 VanDerWaalsContact O-N 3.1Å; K140-L143 PolarHBondContact O-N 3.46Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.35Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 2.96Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L143-V163 HydrophobicContact CD1-CG2 3.71Å; L143-V163 HydrophobicContact CD2-CG2 3.6Å; L143-V163 HydrophobicContact CG-CG2 4.31Å
144Q90.5Very high88.5Confident74 Ų7482.6 Ų82.635%0.34643%0.434SS..Hα-helixtrans-65.6-40.6175.2-172.3-177.883.400111.6K140 E141 V142 R148K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 PolarHBondContact O-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.87Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 2.98Å; Q144-R148 WeakPolarHBondContact O-CB 3.37Å; Q144-R148 VanDerWaalsContact O-CG 3.3Å; Q144-R148 WeakPolarHBondContact O-CG 3.28Å; Q144-R148 PolarHBondContact O-N 3.08Å
145Y90.8Very high87.8Confident138 Ų13892 Ų9254%0.54146%0.457SS..Hα-helixtrans-62.8-49.1175.5-179.6-88.9000111.2E141 V142 A147 R148 F149E141-Y145 WeakPolarHBondContact O-CB 3.35Å; E141-Y145 PolarHBondContact O-N 3.46Å; V142-Y145 PolarHBondContact O-N 3.32Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.02Å; Y145-R148 PolarHBondContact O-N 3.21Å; Y145-R148 VanDerWaalsContact O-N 3.13Å; Y145-F149 HydrophobicContact CD1-CD2 4.21Å; Y145-F149 AromaticContact CD2-CD2 3.32Å; Y145-F149 HydrophobicContact CD2-CD2 3.32Å; Y145-F149 AromaticContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CE2 3.4Å; Y145-F149 VanDerWaalsContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CG 4.39Å; Y145-F149 HydrophobicContact CE1-CB 4.28Å; Y145-F149 HydrophobicContact CE1-CD2 4.12Å; Y145-F149 HydrophobicContact CE1-CG 4.39Å; Y145-F149 AromaticContact CE2-CD2 3.21Å; Y145-F149 HydrophobicContact CE2-CD2 3.21Å; Y145-F149 AromaticContact CE2-CE2 3.27Å; Y145-F149 HydrophobicContact CE2-CE2 3.27Å; Y145-F149 AromaticContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CZ 4.06Å; Y145-F149 AromaticContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CE2 4.32Å; Y145-F149 AromaticContact CZ-CD2 3.63Å; Y145-F149 AromaticContact CZ-CG 3.94Å; Y145-F149 WeakPolarHBondContact O-CD2 3.47Å; Y145-F149 PolarHBondContact O-N 3.36Å
146L89.6Confident87.3Confident25 Ų2592.8 Ų92.813%0.13146%0.461CS..Hα-helixtrans-63-38.6178.8-68.3172.1000112.5V142 R148 E150 S151 W152 L162V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.44Å; V142-L146 PolarHBondContact O-N 3.11Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.42Å; L146-E150 CarbonylContact O-C 3.59Å; L146-E150 WeakPolarHBondContact O-CA 3.4Å; L146-E150 PolarHBondContact O-N 3.48Å; L146-S151 PolarHBondContact O-N 2.73Å; L146-W152 HydrophobicContact CB-CB 4.41Å; L146-W152 HydrophobicContact CB-CD2 4.36Å; L146-W152 HydrophobicContact CB-CG 4.3Å; L146-W152 HydrophobicContact CD1-CE3 4.15Å; L146-W152 HydrophobicContact CD1-CZ3 4.19Å; L146-W152 PolarHBondContact O-N 3.44Å; L146-L162 HydrophobicContact CD1-CD2 3.36Å
147A88.2Confident87Confident52 Ų5292.8 Ų92.843%0.4347%0.469SS..Hα-helixtrans-64.9-36.7174.700000112.3L143 Y145L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 2.96Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.02Å
148R89Confident86.6Confident174 Ų17496.3 Ų96.366%0.65747%0.473SS*.Hα-helixtrans-78.4-46-178.9-76.7178.9178.8157.15.1113.7Q144 Y145 L146Q144-R148 WeakPolarHBondContact O-CB 3.37Å; Q144-R148 VanDerWaalsContact O-CG 3.3Å; Q144-R148 WeakPolarHBondContact O-CG 3.28Å; Q144-R148 PolarHBondContact O-N 3.08Å; Y145-R148 PolarHBondContact O-N 3.21Å; Y145-R148 VanDerWaalsContact O-N 3.13Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.42Å
149F85.5Confident86.2Confident148 Ų14893.5 Ų93.565%0.64945%0.454SS*.Hα-helixtrans-95.2-34.1-170.7-73.4-82.3000113.5Y145Y145-F149 HydrophobicContact CD1-CD2 4.21Å; Y145-F149 AromaticContact CD2-CD2 3.32Å; Y145-F149 HydrophobicContact CD2-CD2 3.32Å; Y145-F149 AromaticContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CE2 3.4Å; Y145-F149 VanDerWaalsContact CD2-CE2 3.4Å; Y145-F149 HydrophobicContact CD2-CG 4.39Å; Y145-F149 HydrophobicContact CE1-CB 4.28Å; Y145-F149 HydrophobicContact CE1-CD2 4.12Å; Y145-F149 HydrophobicContact CE1-CG 4.39Å; Y145-F149 AromaticContact CE2-CD2 3.21Å; Y145-F149 HydrophobicContact CE2-CD2 3.21Å; Y145-F149 AromaticContact CE2-CE2 3.27Å; Y145-F149 HydrophobicContact CE2-CE2 3.27Å; Y145-F149 AromaticContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CG 3.95Å; Y145-F149 HydrophobicContact CE2-CZ 4.06Å; Y145-F149 AromaticContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CD2 3.83Å; Y145-F149 HydrophobicContact CG-CE2 4.32Å; Y145-F149 AromaticContact CZ-CD2 3.63Å; Y145-F149 AromaticContact CZ-CG 3.94Å; Y145-F149 WeakPolarHBondContact O-CD2 3.47Å; Y145-F149 PolarHBondContact O-N 3.36Å
150E81.1Confident86Confident117 Ų11795.7 Ų95.755%0.54747%0.473SS..SBendtrans-109.86.1-175.4-155149.2-164.200112.4L146 W152L146-E150 CarbonylContact O-C 3.59Å; L146-E150 WeakPolarHBondContact O-CA 3.4Å; L146-E150 PolarHBondContact O-N 3.48Å; E150-W152 PolarHBondContact O-N 3.34Å; E150-W152 VanDerWaalsContact O-N 3.13Å
151S80.3Confident86Confident95 Ų9596.2 Ų96.266%0.66448%0.477SS*.  trans5427.9179.862.90000114.2L146 T153L146-S151 PolarHBondContact O-N 2.73Å; S151-T153 PolarHBondContact O-N 3.25Å
152W83.2Confident85.9Confident47 Ų4793.4 Ų93.418%0.17847%0.465CS..  trans-61.4113.7177.4-80.232.4000109.4L146 E150 R158 C159 L162L146-W152 HydrophobicContact CB-CB 4.41Å; L146-W152 HydrophobicContact CB-CD2 4.36Å; L146-W152 HydrophobicContact CB-CG 4.3Å; L146-W152 HydrophobicContact CD1-CE3 4.15Å; L146-W152 HydrophobicContact CD1-CZ3 4.19Å; L146-W152 PolarHBondContact O-N 3.44Å; E150-W152 PolarHBondContact O-N 3.34Å; E150-W152 VanDerWaalsContact O-N 3.13Å; W152-R158 HydrophobicContact CE3-CB 4.4Å; W152-R158 HydrophobicContact CH2-CB 3.73Å; W152-R158 HydrophobicContact CZ2-CB 4.21Å; W152-R158 HydrophobicContact CZ3-CB 3.83Å; W152-C159 HydrophobicContact CE3-CB 3.78Å; W152-C159 HydrophobicContact CZ3-CB 4.38Å; W152-L162 HydrophobicContact CZ3-CB 4.42Å; W152-L162 HydrophobicContact CZ3-CD2 4.23Å
153T79.6Confident85.8Confident73 Ų7393.6 Ų93.645%0.44847%0.466SS..  trans-79.2146.7174.567.50000109.2S151 R155 E156S151-T153 PolarHBondContact O-N 3.25Å; T153-R155 PolarHBondContact O-N 2.95Å; T153-E156 WeakPolarHBondContact O-CB 3.5Å; T153-E156 PolarHBondContact O-N 3.13Å
154P75Confident85.8Confident122 Ų12295.3 Ų95.379%0.79248%0.482SS*.THydrogen-bonded Turntrans-62.8-6.6174.725.8-34.7000113.5
155R76.5Confident85.9Confident234 Ų23497.3 Ų97.388%0.88349%0.491SS*.THydrogen-bonded Turntrans-90.6-10.7174.5-68.3-171.5178.2176.10.6113.4T153T153-R155 PolarHBondContact O-N 2.95Å
156E84.2Confident86Confident62 Ų6292.4 Ų92.429%0.2947%0.474SS..SBendtrans-76.4132.8-176.4-158.2165.3171.300110.6T153 R158 C159 A160T153-E156 WeakPolarHBondContact O-CB 3.5Å; T153-E156 PolarHBondContact O-N 3.13Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact O-N 3.11Å; E156-C159 PolarHBondContact O-N 3.46Å; E156-A160 PolarHBondContact O-N 3.09Å
157P85.9Confident86Confident88 Ų8897.3 Ų97.357%0.57150%0.496SS*.Hα-helixtrans-59.2-29-176.122.9-34.6000112.6A160 Q161P157-A160 PolarHBondContact O-N 3.35Å; P157-Q161 WeakPolarHBondContact O-CB 3.23Å; P157-Q161 WeakPolarHBondContact O-CG 3.19Å; P157-Q161 PolarHBondContact O-N 3.13Å
158R85.8Confident86.1Confident152 Ų15296.4 Ų96.457%0.57449%0.489SS*.Hα-helixtrans-65.7-40.9177.2-64179.6177.3-1790.4112.5W152 E156 Q161 L162W152-R158 HydrophobicContact CE3-CB 4.4Å; W152-R158 HydrophobicContact CH2-CB 3.73Å; W152-R158 HydrophobicContact CZ2-CB 4.21Å; W152-R158 HydrophobicContact CZ3-CB 3.83Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact O-N 3.11Å; R158-Q161 PolarHBondContact O-N 2.91Å; R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 3.02Å
159C86.8Confident86.1Confident18 Ų1889.9 Ų89.912%0.12247%0.468CS..Hα-helixtrans-65-46.6176.6-1730000110.6W152 E156 Q161 L162 V163W152-C159 HydrophobicContact CE3-CB 3.78Å; W152-C159 HydrophobicContact CZ3-CB 4.38Å; E156-C159 PolarHBondContact O-N 3.46Å; C159-Q161 VanDerWaalsContact C-N 3.34Å; C159-Q161 PolarHBondContact O-N 3.49Å; C159-L162 PolarHBondContact O-N 3.41Å; C159-V163 VanDerWaalsContact O-CG2 3.29Å; C159-V163 WeakPolarHBondContact O-CG2 3.11Å; C159-V163 PolarHBondContact O-N 3.21Å
160A87.6Confident86.3Confident59 Ų5983.3 Ų83.349%0.48844%0.441SS..Hα-helixtrans-61.8-40.5176.900000112.6E156 P157 V163 S164E156-A160 PolarHBondContact O-N 3.09Å; P157-A160 PolarHBondContact O-N 3.35Å; A160-V163 PolarHBondContact O-N 3.29Å; A160-S164 VanDerWaalsContact O-CB 3.29Å; A160-S164 WeakPolarHBondContact O-CB 3.21Å; A160-S164 PolarHBondContact O-N 2.92Å
161Q91.3Very high86.5Confident133 Ų13380.8 Ų80.862%0.62143%0.434SS*.Hα-helixtrans-62.3-44.1174.6-76.5169.7-800111.9P157 R158 C159 S164 H165P157-Q161 WeakPolarHBondContact O-CB 3.23Å; P157-Q161 WeakPolarHBondContact O-CG 3.19Å; P157-Q161 PolarHBondContact O-N 3.13Å; R158-Q161 PolarHBondContact O-N 2.91Å; C159-Q161 VanDerWaalsContact C-N 3.34Å; C159-Q161 PolarHBondContact O-N 3.49Å; Q161-S164 PolarHBondContact O-N 2.96Å; Q161-H165 WeakPolarHBondContact O-CB 3.17Å; Q161-H165 PolarHBondContact O-N 3.46Å
162L91.4Very high86.7Confident46 Ų4682.3 Ų82.324%0.24143%0.43CS..Hα-helixtrans-63.6-46.7176.8-179.365.9000111.7V142 L143 L146 W152 R158 C159 S164 H165 L166V142-L162 HydrophobicContact CG1-CD2 4.44Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L146-L162 HydrophobicContact CD1-CD2 3.36Å; W152-L162 HydrophobicContact CZ3-CB 4.42Å; W152-L162 HydrophobicContact CZ3-CD2 4.23Å; R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 3.02Å; C159-L162 PolarHBondContact O-N 3.41Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.43Å; L162-H165 PolarHBondContact O-N 2.92Å; L162-L166 HydrophobicContact CD1-CD1 4.36Å; L162-L166 HydrophobicContact CD1-CG 4.26Å; L162-L166 HydrophobicContact CG-CD1 4.12Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.13Å
163V89.1Confident86.4Confident64 Ų6484.4 Ų84.439%0.38844%0.444SS..Hα-helixtrans-59.4-46.1177174.10000110.7L143 C159 A160 H165 L166 H167L143-V163 HydrophobicContact CD1-CG2 3.71Å; L143-V163 HydrophobicContact CD2-CG2 3.6Å; L143-V163 HydrophobicContact CG-CG2 4.31Å; C159-V163 VanDerWaalsContact O-CG2 3.29Å; C159-V163 WeakPolarHBondContact O-CG2 3.11Å; C159-V163 PolarHBondContact O-N 3.21Å; A160-V163 PolarHBondContact O-N 3.29Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 2.91Å; V163-L166 PolarHBondContact O-N 3.33Å; V163-H167 WeakPolarHBondContact O-CB 3.24Å; V163-H167 PolarHBondContact O-N 3.46Å
164S90.8Very high85.9Confident80 Ų8084.1 Ų84.156%0.55944%0.44SS*.Hα-helixtrans-61.8-41.7177.4-178.40000111.6A160 Q161 L162 H167 A168A160-S164 VanDerWaalsContact O-CB 3.29Å; A160-S164 WeakPolarHBondContact O-CB 3.21Å; A160-S164 PolarHBondContact O-N 2.92Å; Q161-S164 PolarHBondContact O-N 2.96Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.43Å; S164-H167 PolarHBondContact O-N 3.16Å; S164-A168 WeakPolarHBondContact O-CB 2.81Å; S164-A168 PolarHBondContact O-N 2.92Å
165H92.4Very high85.3Confident116 Ų11681.8 Ų81.854%0.53742%0.423SS..Hα-helixtrans-64.8-47.5175.5-179.9-91.4000112.1Q161 L162 V163 H167 A168 V169Q161-H165 WeakPolarHBondContact O-CB 3.17Å; Q161-H165 PolarHBondContact O-N 3.46Å; L162-H165 PolarHBondContact O-N 2.92Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-H165 PolarHBondContact O-N 2.91Å; H165-H167 VanDerWaalsContact C-N 3.29Å; H165-H167 PolarHBondContact O-N 2.91Å; H165-A168 CarbonylContact O-C 3.52Å; H165-A168 WeakPolarHBondContact O-CB 3.44Å; H165-A168 PolarHBondContact O-N 2.81Å; H165-A168 VanDerWaalsContact O-N 3.12Å; H165-V169 VanDerWaalsContact CE1-CG2 3.48Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.4Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 3.13Å
166L92Very high84.2Confident35 Ų3576.4 Ų76.418%0.18342%0.419CS..Hα-helixtrans-61.6-39.5177.6-69.7177.1000111.5F135 A139 L162 V163 V169 A170F135-L166 HydrophobicContact CE1-CB 4.48Å; F135-L166 VanDerWaalsContact CE1-O 3.3Å; F135-L166 WeakPolarHBondContact CE1-O 3.41Å; F135-L166 HydrophobicContact CZ-CB 4.5Å; F135-L166 HydrophobicContact CZ-CD2 4.22Å; F135-L166 WeakPolarHBondContact CZ-O 3.21Å; A139-L166 HydrophobicContact CB-CD1 3.85Å; L162-L166 HydrophobicContact CD1-CD1 4.36Å; L162-L166 HydrophobicContact CD1-CG 4.26Å; L162-L166 HydrophobicContact CG-CD1 4.12Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.13Å; V163-L166 PolarHBondContact O-N 3.33Å; L166-V169 PolarHBondContact O-N 3.11Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.5Å
167H89.8Confident82.4Confident128 Ų12880.5 Ų80.559%0.59344%0.438SS*.Hα-helixtrans-65-42.2173.5-174.2-85.1000111.7V163 S164 H165 A170 T171V163-H167 WeakPolarHBondContact O-CB 3.24Å; V163-H167 PolarHBondContact O-N 3.46Å; S164-H167 PolarHBondContact O-N 3.16Å; H165-H167 VanDerWaalsContact C-N 3.29Å; H165-H167 PolarHBondContact O-N 2.91Å; H167-A170 WeakPolarHBondContact O-CB 3.26Å; H167-A170 PolarHBondContact O-N 3.16Å; H167-T171 WeakPolarHBondContact O-CG2 3.19Å; H167-T171 PolarHBondContact O-N 3.23Å; H167-T171 PolarHBondContact O-OG1 2.8Å
168A91.4Very high80.3Confident34 Ų3482 Ų8228%0.28145%0.446SS..Hα-helixtrans-64.4-38.5175.500000112.4S164 H165 T171 Q172S164-A168 WeakPolarHBondContact O-CB 2.81Å; S164-A168 PolarHBondContact O-N 2.92Å; H165-A168 CarbonylContact O-C 3.52Å; H165-A168 WeakPolarHBondContact O-CB 3.44Å; H165-A168 PolarHBondContact O-N 2.81Å; H165-A168 VanDerWaalsContact O-N 3.12Å; A168-T171 WeakPolarHBondContact CA-OG1 3.46Å; A168-T171 PolarHBondContact O-N 3.47Å; A168-T171 PolarHBondContact O-OG1 2.84Å; A168-Q172 WeakPolarHBondContact O-CB 3.27Å; A168-Q172 WeakPolarHBondContact O-CG 3.34Å; A168-Q172 PolarHBondContact O-N 2.98Å
169V89.6Confident78.2Confident36 Ų3680.7 Ų80.722%0.21846%0.456CS..Hα-helixtrans-66.2-43.4173.8171.80000110.3F135 H165 L166 T171 Q172 L173F135-V169 HydrophobicContact CE2-CG1 4.08Å; F135-V169 HydrophobicContact CZ-CB 4.28Å; F135-V169 HydrophobicContact CZ-CG1 4.01Å; H165-V169 VanDerWaalsContact CE1-CG2 3.48Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.4Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 3.13Å; L166-V169 PolarHBondContact O-N 3.11Å; V169-T171 VanDerWaalsContact C-N 3.31Å; V169-T171 PolarHBondContact O-N 2.96Å; V169-Q172 PolarHBondContact O-N 2.98Å; V169-L173 HydrophobicContact CG1-CD1 3.84Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.17Å; V169-L173 PolarHBondContact O-N 3.44Å
170A87.8Confident76Confident10 Ų1085.5 Ų85.58%0.08349%0.49CS..Hα-helixtrans-57.7-43.3175.700000111.9F135 L166 H167 L174F135-A170 HydrophobicContact CD1-CB 3.83Å; F135-A170 HydrophobicContact CE1-CB 3.62Å; F135-A170 HydrophobicContact CZ-CB 4.39Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.5Å; H167-A170 WeakPolarHBondContact O-CB 3.26Å; H167-A170 PolarHBondContact O-N 3.16Å; A170-L174 WeakPolarHBondContact O-CG 3.16Å; A170-L174 PolarHBondContact O-N 3.19Å
171T85.4Confident73.5Confident64 Ų6485.5 Ų85.539%0.39350%0.497SS..Hα-helixtrans-72.6-33.6178.857.60000112.9H167 A168 V169 L174 T175H167-T171 WeakPolarHBondContact O-CG2 3.19Å; H167-T171 PolarHBondContact O-N 3.23Å; H167-T171 PolarHBondContact O-OG1 2.8Å; A168-T171 WeakPolarHBondContact CA-OG1 3.46Å; A168-T171 PolarHBondContact O-N 3.47Å; A168-T171 PolarHBondContact O-OG1 2.84Å; V169-T171 VanDerWaalsContact C-N 3.31Å; V169-T171 PolarHBondContact O-N 2.96Å; T171-L174 PolarHBondContact O-N 3.48Å; T171-T175 PolarHBondContact O-N 3.29Å; T171-T175 PolarHBondContact O-OG1 3.49Å
172Q85.5Confident71.1Confident128 Ų12891.6 Ų91.660%0.59851%0.514SS*.Hα-helixtrans-65.6-40.7173.6-76.6173.517.700112.1A168 V169 L174 T175A168-Q172 WeakPolarHBondContact O-CB 3.27Å; A168-Q172 WeakPolarHBondContact O-CG 3.34Å; A168-Q172 PolarHBondContact O-N 2.98Å; V169-Q172 PolarHBondContact O-N 2.98Å; Q172-L174 PolarHBondContact O-N 3.37Å; Q172-T175 PolarHBondContact O-N 3.07Å
173L77.6Confident68.4Low90 Ų9093.1 Ų93.147%0.47154%0.541SS..Hα-helixtrans-68.1-25.3179.5-68.4171.4000113F131 F135 V169 T175F131-L173 HydrophobicContact CE1-CB 4.2Å; F131-L173 HydrophobicContact CE1-CD1 3.87Å; F131-L173 HydrophobicContact CZ-CD1 3.86Å; F135-L173 HydrophobicContact CD2-CD1 4.41Å; F135-L173 HydrophobicContact CE2-CD1 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.84Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.17Å; V169-L173 PolarHBondContact O-N 3.44Å; L173-T175 VanDerWaalsContact C-N 3.35Å
174L68.6Low66.2Low67 Ų6796.5 Ų96.535%0.35157%0.567SS.*Hα-helixtrans-81.3-14.2176.8-68.8170.1000113.6A170 T171 Q172A170-L174 WeakPolarHBondContact O-CG 3.16Å; A170-L174 PolarHBondContact O-N 3.19Å; T171-L174 PolarHBondContact O-N 3.48Å; Q172-L174 PolarHBondContact O-N 3.37Å
175T62Low63.6Low73 Ų7395.8 Ų95.845%0.44857%0.573SS.*SBendtrans-112.3104.9177.4-42.90000107.3T171 Q172 L173 Q177T171-T175 PolarHBondContact O-N 3.29Å; T171-T175 PolarHBondContact O-OG1 3.49Å; Q172-T175 PolarHBondContact O-N 3.07Å; L173-T175 VanDerWaalsContact C-N 3.35Å; T175-Q177 HydrophobicContact CG2-CG 4.39Å; T175-Q177 PolarHBondContact O-N 3.26Å
176P54Low61Low122 Ų122101.9 Ų101.979%0.79259%0.591SS**  trans-61.988.3168.7-16.529.6000107.8V178P176-V178 VanDerWaalsContact C-N 3.34Å; P176-V178 PolarHBondContact O-N 3.15Å
177Q46Very low58.5Low147 Ų147104.8 Ų104.869%0.68762%0.62SS**  trans-69.5100.1174.4-70.2-73.823.800105.9T175T175-Q177 HydrophobicContact CG2-CG 4.39Å; T175-Q177 PolarHBondContact O-N 3.26Å
178V41.9Very low56.1Low121 Ų121104.3 Ų104.373%0.73363%0.628SS**  trans-51.1121.3150.1177.60000105.3P176 S180P176-V178 VanDerWaalsContact C-N 3.34Å; P176-V178 PolarHBondContact O-N 3.15Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.44Å
179P42.3Very low53.4Low123 Ų123108.5 Ų108.580%0.79965%0.654SS**  trans-71.189-174.928.7-32.6000108.6
180S39.1Very low51.1Low119 Ų119112.1 Ų112.183%0.83268%0.681SS**  trans-82.9117.4161.9-1640000107.4V178V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.44Å
181G36Very low48.7Very low60 Ų60116.8 Ų116.862%0.61972%0.719SS**  trans-69.3162.3-160.500000116.1
182R39.7Very low46.3Very low260 Ų260117.2 Ų117.298%0.98174%0.737SS**  trans55.4114.5143.4-63.6178.8-174.2-162.60.4117
183G34.7Very low44Very low79 Ų79116 Ų11681%0.81475%0.748SS**  trans162.563.7154.500000115.1
184S43.2Very low42Very low135 Ų135116.2 Ų116.294%0.94476%0.763SS**  trans-61.9130.9156179.20000109
185G37Very low40.4Very low65 Ų65117.8 Ų117.867%0.6779%0.786SS**  trans125.196.4158.100000117.1
186R38.2Very low39.2Very low244 Ų244118.6 Ų118.692%0.92180%0.8SS**  66.7101.9126.5-157.1171.3-174.6174-0119.3
187A39.4Very low38.8Very low95 Ų95118.7 Ų118.779%0.78580%0.804SS**  trans41.5146.313700000122.5
188P38.2Very low38.3Very low119 Ų119115.1 Ų115.177%0.77381%0.806SS**  trans-110.3136.2-150.636.3-23.1000114.3
189C35.9Very low38.2Very low122 Ų122115.6 Ų115.682%0.82481%0.812SS**  trans-151.8133.9163.9-54.60000112.8
190S40.2Very low37.9Very low112 Ų112117.7 Ų117.778%0.78381%0.811SS**  trans66.6107.8146.362.40000121.8
191A38.1Very low38Very low107 Ų107122.9 Ų122.988%0.88481%0.812SS**  73134.5116.500000121.1
192G35.3Very low38.4Very low74 Ų74125.9 Ų125.976%0.76382%0.818SS**  trans112.286.5160.500000112.7
193A36.5Very low38.6Very low101 Ų101117.4 Ų117.484%0.83580%0.804SS**  91.1133.28000000113.7
194A35.9Very low39.1Very low96 Ų96124.6 Ų124.679%0.79381%0.807SS**  trans81.699.8154.200000119.9
195A34.2Very low39.4Very low100 Ų100124.6 Ų124.683%0.82681%0.805SS**  57.6120115.900000120.2
196A38.5Very low40.2Very low89 Ų89127.8 Ų127.874%0.73681%0.811SS**  155132.9103.200000112.9
197S44.2Very low41Very low125 Ų125121.5 Ų121.587%0.87480%0.802SS**  trans54.1131.4150.461.50000119.6
198G35.3Very low42.1Very low72 Ų72123.5 Ų123.574%0.74280%0.804SS**  cis176.7161.66.700000107.1
199P39.5Very low43Very low131 Ų131123.8 Ų123.885%0.85180%0.798SS**  trans-107124.1-17034.9-23.3000112
200E35.9Very low43.4Very low167 Ų167126.8 Ų126.878%0.7880%0.8SS**  trans-173.3135.4153.7-139.9-168.1103.400114
201R42.5Very low43.7Very low227 Ų227131.5 Ų131.586%0.85780%0.801SS**  trans146.483.6149-81.9173.9-168.8-93.1-0.5108.8
202V43.1Very low43.9Very low123 Ų123132.7 Ų132.775%0.74580%0.797SS**  58.295.388.4-176.80000112.6
203A45.5Very low44Very low83 Ų83137.5 Ų137.569%0.68680%0.799SS**  trans-149.692.1154.400000110.9
204R44.1Very low44.4Very low229 Ų229138.7 Ų138.786%0.86480%0.799SS**  trans50.394.9131.7-57.2179.4-173.71000.4117.5
205C49.7Very low44.5Very low135 Ų135137.1 Ų137.191%0.91279%0.792SS**  trans-143.7130.1139.4-139.50000109.5
206V54.4Low44.8Very low132 Ų132138.5 Ų138.580%0.879%0.79SS**PPolyproline II helixtrans-77.1133.2-166.4176.70000110.6V208V206-V208 PolarHBondContact O-N 2.7Å
207P54.2Low45.1Very low112 Ų112142 Ų14273%0.72779%0.791SS**PPolyproline II helixtrans-72.4124.3170.3-9.925.3000110.4I209P207-I209 PolarHBondContact O-N 2.79Å
208V62.4Low45.2Very low138 Ų138141.9 Ų141.984%0.83679%0.788SS**PPolyproline II helixtrans-58.8116.3166154.60000108.4V206 Q210V206-V208 PolarHBondContact O-N 2.7Å; V208-Q210 PolarHBondContact O-N 2.95Å
209I57.2Low45.8Very low124 Ų124148.2 Ų148.264%0.63680%0.798SS**  trans-70.2108.7176.8-65.1165.4000108.2P207 R211P207-I209 PolarHBondContact O-N 2.79Å; I209-R211 HydrophobicContact CG2-CB 4.1Å; I209-R211 HydrophobicContact CG2-CG 3.74Å
210Q43.6Very low46.5Very low185 Ų185149 Ų14986%0.86479%0.79SS**  trans-75.8118.2151.6-75.5178.3-16.700107.8V208V208-Q210 PolarHBondContact O-N 2.95Å
211R46.4Very low47.5Very low212 Ų212148.1 Ų148.180%0.879%0.791SS**  trans-129.194.7165.8-96.6-174173.7116.9-1.2109.5I209I209-R211 HydrophobicContact CG2-CB 4.1Å; I209-R211 HydrophobicContact CG2-CG 3.74Å
212T43Very low48Very low132 Ų132141.2 Ų141.281%0.8177%0.774SS**  22.2120.2121.1-49.80000117.6
213Q38.6Very low48.8Very low174 Ų174142.6 Ų142.681%0.81378%0.777SS**  trans-64.5158.2164.8-53.9-150.33000111.7
214P43.7Very low49.2Very low127 Ų127144.3 Ų144.383%0.82578%0.779SS**  -151.9149.193.635.2-16.1000116.5
215G37.3Very low49.9Very low63 Ų63141.3 Ų141.365%0.64978%0.78SS**  trans79.7103.9136.800000118.9
216T41Very low50Low129 Ų129140 Ų14079%0.79177%0.772SS**  -165.2113.4124.71.60000109.7
217E45.9Very low50.6Low162 Ų162136.9 Ų136.976%0.75777%0.767SS**  trans62.9129.1151.6-33.3-51.985.500121.6
218P45.6Very low50.3Low122 Ų122142.8 Ų142.879%0.79278%0.776SS**  trans-93.1116.2173.634.8-25.6000110.4
219E49Very low49.9Very low205 Ų205139.5 Ų139.596%0.95877%0.771SS**  trans-96.699.5163.8-75.9-173.1121.400109.3
220H53.3Low49.2Very low148 Ų148136.9 Ų136.969%0.68578%0.775SS**  trans-86.5104.5177.7-177.6-89.5000108.6T222H220-T222 WeakPolarHBondContact CE1-CG2 3.36Å; H220-T222 PolarHBondContact CE1-OG1 3.29Å; H220-T222 PolarHBondContact ND1-OG1 2.84Å; H220-T222 PolarHBondContact O-N 3.45Å
221D57.1Low49.5Very low149 Ų149137.4 Ų137.480%0.79778%0.777SS**  trans-96.485.6175.3-143.44.1000109.4
222T52.9Low49.2Very low81 Ų81131.6 Ų131.650%0.49777%0.774SS.*  trans-108.295.5167.745.80000109.3H220 T224H220-T222 WeakPolarHBondContact CE1-CG2 3.36Å; H220-T222 PolarHBondContact CE1-OG1 3.29Å; H220-T222 PolarHBondContact ND1-OG1 2.84Å; H220-T222 PolarHBondContact O-N 3.45Å; T222-T224 VanDerWaalsContact C-N 3.27Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 VanDerWaalsContact O-N 3.11Å
223D60.2Low49.2Very low153 Ų153132.6 Ų132.682%0.81877%0.769SS**  trans-81.775.2164.6-86.1-40.7000110
224T53.5Low49.2Very low119 Ų119132.4 Ų132.473%0.7377%0.769SS**  trans-87.992.2155.141.40000108.2T222 S226T222-T224 VanDerWaalsContact C-N 3.27Å; T222-T224 PolarHBondContact O-N 3.35Å; T222-T224 VanDerWaalsContact O-N 3.11Å; T224-S226 VanDerWaalsContact C-N 3.29Å; T224-S226 PolarHBondContact O-N 2.98Å
225D59.1Low49Very low165 Ų165130.3 Ų130.388%0.88277%0.77SS**  trans-70.887.2165.7-177.221.1000109.1
226S50.9Low49Very low107 Ų107139.1 Ų139.175%0.74878%0.784SS**  trans-125.582.9169.4170.40000108.6T224T224-S226 VanDerWaalsContact C-N 3.29Å; T224-S226 PolarHBondContact O-N 2.98Å
227G67.3Low48.8Very low67 Ų67137.6 Ų137.669%0.69178%0.784SS**  trans-106.1107.6156.800000108.4
228Y48.5Very low48.7Very low236 Ų236134.4 Ų134.493%0.92579%0.786SS**  65.6120.165.3-151.4-88.1000114.5
229G54.4Low48.4Very low70 Ų70135 Ų13572%0.72279%0.787SS**  trans116.889.3169.700000112.3
230G42.1Very low48.3Very low69 Ų69134.5 Ų134.571%0.71178%0.781SS**  cis92.6128.442.500000109.3
231E50.1Low47.5Very low196 Ų196136.2 Ų136.292%0.91679%0.79SS**  trans97.6124.6163.5-47.4-60.385.700119.7
232A39.8Very low46.6Very low89 Ų89136.5 Ų136.574%0.73679%0.787SS**  trans-79.6164.8-174.700000113.3
233E43.1Very low46.5Very low153 Ų153138.5 Ų138.572%0.71580%0.801SS**  154138.5113-86.2-137.39600113.5
234Q37.8Very low46Very low171 Ų171136.2 Ų136.280%0.79979%0.794SS**  trans62.6122.6144.1-70.9176.823.300121.2
235G40.9Very low45.5Very low83 Ų83134.1 Ų134.186%0.85680%0.796SS**  trans172.868.8158.600000115.7
236R37.4Very low44.8Very low247 Ų247134 Ų13493%0.93280%0.795SS**  trans-57.1152.9174.3-89.2174.2168.1175.4-3.5114.8
237A37Very low44.3Very low97 Ų97134.4 Ų134.480%0.80280%0.798SS**  trans85.1120.6135.700000121.5
238A42.4Very low43Very low96 Ų96136.6 Ų136.679%0.79380%0.803SS**  162.897.7121.800000109.3
239V40.6Very low42.7Very low134 Ų134130.7 Ų130.781%0.81279%0.794SS**  60.6107.377.2178.60000115.3
240K45.2Very low42Very low194 Ų194131.5 Ų131.584%0.84379%0.794SS**  trans173.399139.4-102.6-179169.1-163.70108.6
241Q38.1Very low42Very low185 Ų185133.2 Ų133.286%0.86479%0.792SS**  92.3124.869.7-168170.810.500114
242E37.7Very low41.8Very low155 Ų155133.4 Ų133.472%0.72479%0.79SS**  trans-73.4-172.8-169.6-61.2-160.899.900117.8
243P49.4Very low41.6Very low123 Ų123140.5 Ų140.580%0.79980%0.798SS**  -140.217191.830.1-9.1000117.4
244P50Low41.5Very low105 Ų105138.8 Ų138.868%0.68280%0.8SS**  trans-126.1-178.4-140.443.6-30.5000117.3
245G43.1Very low41.4Very low74 Ų74139.3 Ų139.376%0.76380%0.8SS**  trans116.3129.116100000113.3
246D44.3Very low41.3Very low162 Ų162142.1 Ų142.187%0.86679%0.794SS**  cis-164.9163.618.8-147.8-39.8000109.8
247S42.1Very low41.1Very low116 Ų116138.4 Ų138.481%0.81179%0.787SS**  trans8691.417173.20000120.9
248S38.8Very low40.9Very low114 Ų114137.5 Ų137.580%0.79778%0.78SS**  trans-103.2-174.5155.2-150.70000108
249P43.3Very low40.8Very low112 Ų112145.2 Ų145.273%0.72779%0.789SS**  cis-137.7166.3-737.3-17.4000115.6
250A38.3Very low40.6Very low87 Ų87142.3 Ų142.372%0.71979%0.786SS**  trans-66.3169.9157.800000110.6
251P42.2Very low40.1Very low105 Ų105137.6 Ų137.668%0.68278%0.783SS**  -162.6173.178.842.7-20.2000118.1
252K45.3Very low40.2Very low199 Ų199136.1 Ų136.187%0.86578%0.78SS**  trans82.6114.9155.3-47.4-174.8-174.9174.30119.9
253R36.8Very low40.5Very low238 Ų238136.3 Ų136.390%0.89879%0.785SS**  trans-55.6172.2152.3-58.6178.8176158.9-1.7110.2
254P41.3Very low39.8Very low117 Ų117133.7 Ų133.776%0.7678%0.781SS**  cis-145.6-175.616.439.4-17000116.7
255K35Very low39.3Very low183 Ų183134.2 Ų134.280%0.79678%0.784SS**  trans85109.3144.3-157.2157.1-175.9171.20119.9
256L38.3Very low39.1Very low142 Ų142139 Ų13974%0.74379%0.786SS**  38.1117.3127.9-160.393.6000118
257E34.2Very low39.2Very low168 Ų168136.2 Ų136.279%0.78578%0.778SS**  171129.7121-88.5-10799.200111.7
258A33.4Very low38.9Very low79 Ų79134.7 Ų134.765%0.65377%0.772SS**  trans63138.5135.700000123.3
259R40Very low39.2Very low258 Ų258137.2 Ų137.297%0.97478%0.775SS**  trans88.7124.8166.4-59.2-178.2145.9170.8-5.8114.8
260G35.3Very low39.3Very low73 Ų73139.5 Ų139.575%0.75378%0.781SS**  cis151.9146.47.700000109
261A34.9Very low39.4Very low95 Ų95138.7 Ų138.779%0.78578%0.78SS**  trans74.3102.8162.800000118.7
262L41.5Very low39.3Very low153 Ų153139.5 Ų139.580%0.80179%0.789SS**  -169.6104.8100.7-125.483.8000111.8
263L42.6Very low39.1Very low159 Ų159138.3 Ų138.383%0.83279%0.791SS**  trans57.3107.5133.1-55.2170.1000121.1
264G35.1Very low39.2Very low68 Ų68134.2 Ų134.270%0.70179%0.792SS**  -101.5-169.5128.700000108.9
265P40.3Very low39.1Very low116 Ų116133 Ų13375%0.75379%0.792SS**  cis-124.9-178.6-5.439.3-21.9000112.3
266E38.5Very low39.3Very low174 Ų174132.3 Ų132.381%0.81380%0.796SS**  trans168.3145.5135.7-93.7-70.798.800113.5
267P45.3Very low39.1Very low105 Ų105129.2 Ų129.268%0.68280%0.799SS**  trans-108.8112.6176.935.8-20.8000112.3
268A36.7Very low39.1Very low83 Ų83125.2 Ų125.269%0.68680%0.802SS**  trans-179.2115.9160.200000111.4
269L44.6Very low39.2Very low167 Ų167125.5 Ų125.587%0.87481%0.813SS**  trans-136.295.9153.9-68.8177.1000105.4
270L45.7Very low39.4Very low161 Ų161117.8 Ų117.884%0.84380%0.804SS**  66.5125.580.2-68179.6000113.9
271G40.7Very low39.8Very low69 Ų69119.9 Ų119.971%0.71180%0.804SS**  trans13070.2156.700000114.3
272S39.3Very low40Very low122 Ų122125 Ų12585%0.85381%0.809SS**  60.9109.7101.3-85.50000115.7
273L40.8Very low39.8Very low175 Ų175121.1 Ų121.192%0.91680%0.8SS**  trans-165.298.4131.4-99.2169.2000109
274V40.3Very low39.7Very low151 Ų151122 Ų12292%0.91580%0.799SS**  trans-125.5110.5165.8-166.60000106.4
275A38Very low39.7Very low92 Ų92124.4 Ų124.476%0.7680%0.803SS**  trans-175.3144.1165.500000106.1
276L40.1Very low39.7Very low169 Ų169123.7 Ų123.789%0.88581%0.807SS**  cis177.7134.7-7.3166.466.6000103.2
277G34.4Very low39.8Very low77 Ų77120.1 Ų120.179%0.79481%0.807SS**  trans80.9137163.800000114.3
278G33.2Very low39.5Very low84 Ų84119.6 Ų119.687%0.86681%0.811SS**  cis133117.92400000106.2
279G35.1Very low40.1Very low84 Ų84121 Ų12187%0.86681%0.814SS**  trans160.291.7-179.600000112.1
280A44.8Very low40.1Very low96 Ų96122.6 Ų122.679%0.79381%0.814SS**  trans-85.8-163.6-177.800000111.2
281P44.5Very low39.6Very low117 Ų117120.8 Ų120.876%0.7681%0.813SS**  -124.2161.1-109.231.9-11.8000112.9
282F38.9Very low40.6Very low203 Ų203124.7 Ų124.789%0.8982%0.817SS**  trans-162.1128.4156-144.2-112.9000113.6
283A37.8Very low40.9Very low72 Ų72123.9 Ų123.960%0.59581%0.809SS**  trans62140.8144.400000119.6
284Q39.2Very low41.3Very low176 Ų176125.5 Ų125.582%0.82281%0.809SS**  cis-169148.42.5-91.9-92.1-46.800104.8
285P35.6Very low41.8Very low120 Ų120128 Ų12878%0.77980%0.803SS**  trans-96.7143.3179.735.6-28.1000111.8
286A41.3Very low42.3Very low101 Ų101131.6 Ų131.684%0.83581%0.809SS**  trans-150.7127.9166.800000113.4
287A40.4Very low42.7Very low98 Ų98131.4 Ų131.481%0.8181%0.808SS**  trans74.8103.5148.600000120
288A38.8Very low43Very low94 Ų94133.3 Ų133.378%0.77781%0.809SS**  trans-63.4157.3155.400000112.2
289P48.7Very low43.7Very low114 Ų114135.1 Ų135.174%0.7481%0.806SS**  trans-129.5121.6139.832.1-17.9000112.4
290F43.9Very low44.1Very low199 Ų199137 Ų13787%0.87381%0.805SS**  trans39.1110.2135.1-64.4-81.5000119.7
291C36.9Very low44Very low123 Ų123137.3 Ų137.383%0.83181%0.808SS**  trans-66.7129.8162-165.30000111.1
292L60Low44Very low151 Ų151136.9 Ų136.979%0.79181%0.814SS**  trans-138.1131156.9-73.6178.9000108.7
293P46.5Very low44.2Very low106 Ų106131.9 Ų131.969%0.68881%0.811SS**  trans-84.6126.3179.332.7-29.4000110.3Y295P293-Y295 PolarHBondContact O-N 3.18Å
294F49.8Very low44.6Very low209 Ų209139 Ų13992%0.91782%0.824SS**  trans-66.5112.8171.6-79.1-92000110.3
295Y50.1Low44.9Very low202 Ų202136.6 Ų136.679%0.79282%0.82SS**  trans-93.3147153.5-89.9-90.5000109P293P293-Y295 PolarHBondContact O-N 3.18Å
296L48.5Very low45.3Very low168 Ų168138.4 Ų138.488%0.8882%0.819SS**  trans76.592.7167.6-69.2129.6000118.1
297L48.1Very low45.7Very low166 Ų166139.1 Ų139.187%0.86982%0.815SS**  -163.287.3125.6-162.360.9000111.2
298S40.9Very low45.8Very low117 Ų117143.5 Ų143.582%0.81881%0.81SS**  trans-113.1117.7154.7-85.70000107.5S300S298-S300 PolarHBondContact O-N 3.47Å
299P48.4Very low46.3Very low122 Ų122146.9 Ų146.979%0.79282%0.815SS**  trans-83105.5-174.832.7-29.6000108.6
300S43.1Very low46Very low122 Ų122146.3 Ų146.385%0.85381%0.805SS**  trans-147.669170.8-161.50000110.3S298S298-S300 PolarHBondContact O-N 3.47Å
301A43.9Very low46.1Very low104 Ų104147.1 Ų147.186%0.8681%0.808SS**  trans-168.36116500000110
302A44.3Very low46.6Very low107 Ų107145.6 Ų145.688%0.88480%0.799SS**  trans-134.163165.100000108.8
303A42.9Very low45.8Very low99 Ų99141.9 Ų141.982%0.81880%0.797SS**  trans-10776.4161.800000107.6
304Y45.1Very low45.6Very low222 Ų222145.1 Ų145.187%0.87181%0.808SS**  trans-166.6146.4156.3-145.2-106.1000108.1
305V46.9Very low45.3Very low124 Ų124142.6 Ų142.675%0.75280%0.804SS**  trans87.377.6-175.5-157.50000114.8
306Q42.8Very low45.4Very low159 Ų159141 Ų14174%0.74380%0.801SS**  trans-60.4143.8144-90.6-117.6-94.700109.3
307P49.5Very low45.3Very low115 Ų115143.4 Ų143.475%0.74780%0.8SS**  -125.5135.7106.7-2.723.4000113.7
308W41.9Very low45Very low191 Ų191144.1 Ų144.172%0.72380%0.804SS**  trans-46.4123.1167.2-173.390.5000113.1D310W308-D310 HydrophobicContact CZ2-CB 4.41Å
309L51Low45Very low165 Ų165148.8 Ų148.886%0.86481%0.805SS**  trans-145103152.3-117.6114.7000108.9
310D41Very low45.1Very low102 Ų102147.6 Ų147.655%0.54580%0.797SS.*  trans-62.3130.8166.8-178.622.3000109.3W308 S312W308-D310 HydrophobicContact CZ2-CB 4.41Å; D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 VanDerWaalsContact OD1-OG 3.09Å; D310-S312 PolarHBondContact OD2-OG 3.22Å
311K47.5Very low44.9Very low216 Ų216146 Ų14694%0.93979%0.792SS**  trans-120.264.4177.3-155.4-175.6-176.2-174.90108
312S46.7Very low44.7Very low90 Ų90145.7 Ų145.763%0.62979%0.789SS**  trans-129.5126.416664.60000108.3D310D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 VanDerWaalsContact OD1-OG 3.09Å; D310-S312 PolarHBondContact OD2-OG 3.22Å
313G42.6Very low44.5Very low74 Ų74145.1 Ų145.176%0.76378%0.784SS**  trans101.766.5172.600000116.3
314L42.3Very low44.5Very low173 Ų173145.1 Ų145.191%0.90678%0.784SS**  trans-152.755.1151.2-148.687.9000111.5
315D45Very low44.4Very low156 Ų156139.5 Ų139.583%0.83478%0.775SS**  trans-131.679.7165.8-137.7-57.9000106.8
316K50.6Low44.1Very low170 Ų170143.1 Ų143.174%0.73978%0.781SS**SBendtrans174.3129.5166.7-95.9157.4-161-161.30107.5
317Y46.6Very low44.1Very low217 Ų217141.5 Ų141.585%0.85178%0.784SS**  trans79.295.6176.8-46.6-74.2000115.4
318L42.3Very low44Very low182 Ų182144.8 Ų144.895%0.95380%0.795SS**  -174.9103.8125.6-92161.1000109.3
319Y41.1Very low44.2Very low214 Ų214142.6 Ų142.684%0.83980%0.796SS**  trans-129.8159159.7-156.2-111.2000104
320P49.3Very low43.7Very low97 Ų97142.7 Ų142.763%0.6379%0.786SS**  cis-129.7172.12.42.524.9000115.3
321A38.9Very low43.9Very low89 Ų89143.5 Ų143.574%0.73680%0.797SS**  trans80.1129.613300000121.8
322A40.3Very low44Very low97 Ų97135.7 Ų135.780%0.80278%0.778SS**  trans91.1118.4142.400000118.6
323A39.3Very low44.2Very low95 Ų95139 Ų13979%0.78579%0.787SS**  trans76.797.7146.300000118.8
324A44.2Very low44.4Very low99 Ų99140.7 Ų140.782%0.81878%0.784SS**  63.6150122.700000120.4
325P43.4Very low44.3Very low105 Ų105137.2 Ų137.268%0.68278%0.781SS**  trans-115.5143.1-136.137.5-26.4000114.1
326F39.2Very low44.2Very low200 Ų200134.4 Ų134.488%0.87778%0.779SS**  trans-153.1131.4156.5-72.6-75.1000110.8
327P43.8Very low43.6Very low125 Ų125130.9 Ų130.981%0.81278%0.782SS**  trans-84.9132.3179.233.6-29.8000110.4
328L47.2Very low43Very low183 Ų183125.3 Ų125.396%0.95878%0.781SS**  trans-107.9146.7175-89.6171.3000111.8
329L45.3Very low42.7Very low145 Ų145121.2 Ų121.276%0.75977%0.773SS**  trans-116.6146.8-143.7-130.3162.1000110.3
330Y40.2Very low42.4Very low168 Ų168115.4 Ų115.466%0.65977%0.769SS**  trans71.3162.7144.8-120.2-124.1000118.3
331P46.9Very low41.7Very low119 Ų119115.4 Ų115.477%0.77378%0.777SS**  cis-142.8156.518.739.5-18.8000119.9
332G49.6Very low41.4Very low52 Ų52116.1 Ų116.154%0.53678%0.783SS.*  trans169.999.9158.800000117.1
333I49.7Very low41.2Very low158 Ų158116.1 Ų116.181%0.8178%0.783SS**  trans72.4147.2149.420.9-179.4000119.7
334P48.1Very low41.2Very low110 Ų110115.4 Ų115.471%0.71478%0.778SS**  -120.1156.6-113.433.5-15.1000116.5
335A38.3Very low40.9Very low100 Ų100121 Ų12183%0.82678%0.784SS**  trans19.4117145.200000120.7
336A43.5Very low40.9Very low98 Ų98121 Ų12181%0.8178%0.784SS**  -167.4125.6117.600000111.6
337A37.3Very low40.8Very low95 Ų95117.4 Ų117.479%0.78578%0.782SS**  trans43.898.3152.600000118.2
338A35.2Very low40.6Very low100 Ų100119.6 Ų119.683%0.82679%0.786SS**  70.5127.670.500000114.8
339A35.5Very low40Very low96 Ų96116.7 Ų116.779%0.79378%0.781SS**  trans98.1118.5146.800000118.6
340A36.2Very low39.7Very low92 Ų92115 Ų11576%0.7678%0.781SS**  trans73.199138.100000116
341A33.1Very low39.6Very low97 Ų97112.8 Ų112.880%0.80279%0.785SS**  84.3117.682.400000112.6
342A32.3Very low39.2Very low104 Ų104114.3 Ų114.386%0.8679%0.786SS**  trans5588.715000000117.7
343A36.2Very low38.3Very low97 Ų97117.4 Ų117.480%0.80280%0.799SS**  trans-173142.9137.100000110.7
344A40.5Very low38.5Very low81 Ų81114.8 Ų114.867%0.66979%0.792SS**  trans69.293152.400000118.7
345F37.2Very low38.6Very low216 Ų216115.4 Ų115.495%0.94780%0.796SS**  trans-132.3104.4132.6-79.6-71.3000109.1
346P44.2Very low38.8Very low105 Ų105116.8 Ų116.868%0.68280%0.797SS**  trans-86.6146163.333.5-26.9000110.6
347C35.8Very low38.7Very low124 Ų124121.6 Ų121.684%0.83880%0.803SS**  trans-1.4125.1156.6-54.80000118.3
348L39.1Very low38.9Very low172 Ų172126.4 Ų126.490%0.90181%0.806SS**  trans-134.691.6151.8-68.8178.4000109.2
349S36Very low39.1Very low121 Ų121126.6 Ų126.685%0.84681%0.808SS**  trans-144.687.8161-70.30000107.5
350S38.7Very low39.1Very low109 Ų109125.8 Ų125.876%0.76281%0.809SS**  trans-144.7110.3161.6-113.20000107
351V37.6Very low39.2Very low122 Ų122126.6 Ų126.674%0.73982%0.816SS**  96.2119.1104.6167.40000109.1
352L38.4Very low39.6Very low151 Ų151128.5 Ų128.579%0.79182%0.817SS**  161.9117.3110.4-164.659.3000111
353S32.3Very low39.9Very low117 Ų117128.4 Ų128.482%0.81882%0.816SS**  trans-145.8126.8146.8-168.30000108.4
354P53.6Low40Very low103 Ų103127.2 Ų127.267%0.66981%0.814SS**  trans-100.2163.8-171.838.3-33.6000113.2
355P49.4Very low40.2Very low123 Ų123128 Ų12880%0.79982%0.821SS**  trans-111.2168.5156.435.7-23.1000112.4
356P42.7Very low40.5Very low130 Ų130122.9 Ų122.984%0.84481%0.809SS**PPolyproline II helixtrans-96.4146.8-148.636-33000114.7
357E41.3Very low40.2Very low199 Ų199127.2 Ų127.293%0.9382%0.817SS**PPolyproline II helixtrans-102.8134.7165.4-101-159.1106.800112.4
358K41.7Very low40.5Very low195 Ų195128.8 Ų128.885%0.84882%0.816SS**PPolyproline II helixtrans-86.8128.3168.6-106.8179.3175.6177.50109.1
359A39Very low40.6Very low105 Ų105125 Ų12587%0.86881%0.81SS**  trans39.4110.3137.800000119.4
360G36.4Very low40.9Very low79 Ų79127.5 Ų127.581%0.81481%0.808SS**  trans-162.887.8158.700000110.4
361A38.3Very low40.7Very low109 Ų109129.9 Ų129.990%0.90181%0.807SS**  trans-69.6137.2-178.600000112.4
362T40.1Very low41.1Very low136 Ų136130.2 Ų130.283%0.83481%0.809SS**  trans-70.5150.5172.513.20000114.4
363A38.9Very low41.6Very low102 Ų102127.3 Ų127.384%0.84381%0.807SS**  trans70.3134.9148.100000117.8
364G39.1Very low42.2Very low72 Ų72127.5 Ų127.574%0.74281%0.806SS**  cis114.875.218.900000111.3
365A44.7Very low42.5Very low99 Ų99128.7 Ų128.782%0.81881%0.813SS**  trans68165.615200000120.2
366P44.3Very low42.2Very low108 Ų108126.1 Ų126.170%0.70181%0.809SS**  -128.9170-54.435.5-21000110.6
367F37.3Very low43.2Very low195 Ų195126.5 Ų126.586%0.85581%0.812SS**  trans176.7150.3134.2-111-91.5000111.7
368L42.3Very low43.4Very low157 Ų157125.2 Ų125.282%0.82281%0.81SS**  trans-70.4149.5-162.6-61.8159.8000115
369A41.5Very low43.4Very low93 Ų93126.9 Ų126.977%0.76981%0.811SS**  140122.7117.800000115.3
370H41.9Very low44.1Very low173 Ų173127.4 Ų127.480%0.80181%0.806SS**  trans72.896.2142.1-109.1-71.9000122.5
371E35.1Very low44.3Very low159 Ų159131 Ų13174%0.74380%0.801SS**  10.2126.4126-158.8-156.3116.700119.4
372V45.7Very low44.5Very low130 Ų130132.2 Ų132.279%0.78879%0.788SS**  -177.5138.1118.4151.70000110.6
373A48Very low45Very low89 Ų89130.3 Ų130.374%0.73679%0.786SS**  trans-81.9168-164.900000116.2
374P45.8Very low45.3Very low122 Ų122132.5 Ų132.579%0.79278%0.779SS**  trans-103.5176.4-16940.3-32000114
375P58.8Low45.8Very low127 Ų127135.3 Ų135.383%0.82579%0.787SS**  trans-134.9145.6142.233.9-19000113.9
376G44.2Very low45.8Very low70 Ų70141.5 Ų141.572%0.72279%0.789SS**PPolyproline II helixtrans-78.9170.6178.900000114.5
377P62.1Low46.1Very low138 Ų138142.4 Ų142.490%0.89679%0.793SS**PPolyproline II helixtrans-102.1153.1179.136.7-28.7000114.1
378L46.9Very low46.5Very low172 Ų172141.7 Ų141.790%0.90179%0.792SS**PPolyproline II helixtrans-83.4160.3-164.3-65.6155.6000114.3
379R41.9Very low46.6Very low230 Ų230141.2 Ų141.287%0.86879%0.79SS**PPolyproline II helixtrans-100147.2166.7-176.4-174.8-178.11622.4110.3
380P52Low47Very low116 Ų116142.1 Ų142.175%0.75379%0.787SS**  trans-125127.5149.926.9-10.4000110.6
381Q42.2Very low46.9Very low153 Ų153144.1 Ų144.172%0.71579%0.788SS**  82.9108.962.6-75-98.8-10.200114.8
382H42.7Very low47.5Very low135 Ų135141 Ų14163%0.62579%0.79SS**  trans64.7124.3144-80.9-107.4000123H384H382-H384 AromaticContact CE1-CE1 3.94Å; H382-H384 AromaticContact CE1-NE2 3.55Å; H382-H384 AromaticContact ND1-CD2 3.82Å; H382-H384 AromaticContact ND1-CE1 3.76Å; H382-H384 AromaticContact ND1-NE2 3Å; H382-H384 PolarHBondContact ND1-NE2 3.5Å
383A49.5Very low47.5Very low97 Ų97140 Ų14080%0.80278%0.784SS**  -169.9113.4113.600000112.6
384H45.6Very low47.2Very low148 Ų148142.8 Ų142.869%0.68579%0.786SS**  trans-6.7134147.7-56.3-70.5000118.3H382H382-H384 AromaticContact CE1-CE1 3.94Å; H382-H384 AromaticContact CE1-NE2 3.55Å; H382-H384 AromaticContact ND1-CD2 3.82Å; H382-H384 AromaticContact ND1-CE1 3.76Å; H382-H384 AromaticContact ND1-NE2 3Å; H382-H384 PolarHBondContact ND1-NE2 3.5Å
385S49.2Very low47.4Very low131 Ų131141.6 Ų141.692%0.91678%0.778SS**  -163.6150.5100.4-69.80000112.4
386R45.2Very low46.4Very low229 Ų229144 Ų14486%0.86478%0.778SS**  trans-129.6132.3-150.4170.3-162.7-168.3-177.54.3107.9
387T50Low46.3Very low127 Ų127145.6 Ų145.678%0.77978%0.779SS**  trans-167.5117.9150.815.80000114.4
388H45.2Very low45.5Very low180 Ų180144 Ų14483%0.83377%0.771SS**  trans7598.3144.7-67.6-74.7000124.5
389L45.8Very low45.2Very low147 Ų147143.6 Ų143.677%0.7776%0.764SS**  trans-55.9-175138.4-99.8110.4000113
390P50.2Low45.2Very low111 Ų111140.2 Ų140.272%0.72176%0.759SS**  cis-137.3160.35.611.817.8000115.6
391R38.5Very low44.8Very low215 Ų215141.6 Ų141.681%0.81176%0.76SS**  70.9119.281.4-167.8168.8177139.3-4.9118V393R391-V393 HydrophobicContact CG-CG2 4.04Å
392A47.8Very low45.1Very low95 Ų95137.6 Ų137.679%0.78575%0.753SS**  trans-158.1113.3147.500000106.6
393V45.6Very low45.7Very low109 Ų109137.3 Ų137.366%0.66176%0.761SS**  69.194.261.7-1760000111.5R391R391-V393 HydrophobicContact CG-CG2 4.04Å
394N41.5Very low45.8Very low146 Ų146141.4 Ų141.478%0.78176%0.763SS**  97.4176.184.7-140.16.2000111.9
395P50.7Low46.3Very low98 Ų98139.7 Ų139.764%0.63677%0.765SS**  -123.2-165.4-106.341.6-23.7000114.5
396E38.1Very low46.6Very low176 Ų176137.2 Ų137.282%0.82275%0.753SS**  trans105.2141.5147.2-152.4171.4101.100119.5
397S42.5Very low46.8Very low105 Ų105135.4 Ų135.473%0.73475%0.751SS**  trans75.1148163.873.90000117.2
398S43.9Very low47.2Very low105 Ų105136.4 Ų136.473%0.73475%0.752SS**  cis175.6165.5-17.5-92.10000103.6
399Q41.8Very low47.3Very low162 Ų162131.9 Ų131.976%0.75775%0.745SS**  trans85.4101.5150.4-141.3150.35.200116.3
400E41.9Very low47.9Very low160 Ų160134.4 Ų134.475%0.74877%0.771SS**  80.513691.6-79.8-173.393.700114.4
401D43.3Very low47.8Very low145 Ų145135.6 Ų135.678%0.77577%0.773SS**  trans113.2120137.9-147.550.9000118.4
402A48Very low48.2Very low69 Ų69131.4 Ų131.457%0.5777%0.771SS**  trans37.8133.6146.800000121.1
403T55.5Low48.3Very low128 Ų128133.4 Ų133.479%0.78577%0.77SS**  173.9108.5101.5-77.90000109.6
404Q51.2Low48.4Very low183 Ų183134.9 Ų134.986%0.85578%0.777SS**  trans-71.4161.6152.4-69.5-168.8-4200109
405P56.1Low48.9Very low113 Ų113134.2 Ų134.273%0.73478%0.777SS**  -151.7162.3104.736.2-18.1000116.8
406A55.1Low48.7Very low79 Ų79136.6 Ų136.665%0.65379%0.786SS**  trans74.4112.1136.600000119.1
407K49.6Very low49.5Very low191 Ų191133.8 Ų133.883%0.8378%0.783SS**  86.2127.8100.2-84.5-177.1168-175.20111.1
408D59.3Low50Low148 Ų148136 Ų13679%0.79179%0.787SS**  cis-152163.537.2-122.9-71.6000110.3
409A46.9Very low50.6Low84 Ų84138.6 Ų138.669%0.69479%0.792SS**  trans-92.1-157.7-161.700000114
410P58.1Low51.4Low201 Ų201136.5 Ų136.5100%1.30580%0.795SS**  trans-63.60-142.835.3-40.8000118.1

Retrieved 410 of 410 residues in 379.5 ms (Link to these results)