A0A087YH42_POEFO Loading...

Neuritin 1a

AlphaFold DB , UniProt , Accession A0A087YH42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 140 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
1L38.3Very low47.5Very low222 Ų222125.9 Ų125.9100%1.16271%0.705SS**  095.80-95.775.4000108.5
2H47.2Very low47.8Very low191 Ų191128.9 Ų128.988%0.88470%0.7SS**  trans-162.5155.3153.9-118.6-93.5000107.1
3V45.8Very low48.4Very low119 Ų119131.1 Ų131.172%0.72170%0.699SS**  trans98.680.6179.4-164.50000114D5V3-D5 HydrophobicContact CG1-CB 3.77Å
4C49.8Very low48.8Very low137 Ų137129.1 Ų129.193%0.92669%0.688SS**  trans-69.3110.7132.8-72.50000107
5D39.8Very low49.1Very low121 Ų121128.2 Ų128.265%0.64768%0.682SS**  trans-152123154.5-164.3-105.6000111.2V3V3-D5 HydrophobicContact CG1-CB 3.77Å
6S44Very low49.3Very low65 Ų65128.6 Ų128.646%0.45568%0.684SS.*  trans60.4101.6155.1-151.80000118.3R8 N9S6-R8 PolarHBondContact O-N 2.73Å; S6-N9 PolarHBondContact O-N 3.15Å; S6-N9 VanDerWaalsContact O-N 3.15Å
7G51Low49.7Very low70 Ų70124.5 Ų124.572%0.72267%0.667SS**THydrogen-bonded Turntrans-58.516.7-177.300000118.4
8R50.8Low50.1Low196 Ų196122.2 Ų122.274%0.7466%0.658SS**THydrogen-bonded Turntrans-94-28.6168.5-147.1-179.8-40.8-90.1-6.5112.3S6S6-R8 PolarHBondContact O-N 2.73Å
9N47.1Very low50.5Low90 Ų90119.5 Ų119.548%0.48165%0.648SS.*Hα-helixtrans-81.2-24.9179.8-85.9-43.7000113.5S6 S11 Y12 F13S6-N9 PolarHBondContact O-N 3.15Å; S6-N9 VanDerWaalsContact O-N 3.15Å; N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.46Å; N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.13Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 2.99Å
10I55Low50.9Low104 Ų104118 Ų11853%0.53364%0.643SS.*Hα-helixtrans-61.3-37-179.8-62.5171.9000111Y12 F13 L14I10-Y12 PolarHBondContact O-N 3.32Å; I10-F13 PolarHBondContact O-N 2.78Å; I10-L14 HydrophobicContact CG2-CD1 3.9Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 VanDerWaalsContact O-CG 3.28Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.01Å
11S54Low50.9Low70 Ų70117.6 Ų117.649%0.4964%0.639SS.*Hα-helixtrans-64.1-38.8176.6-169.40000112.5N9 L15N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.46Å; S11-L15 WeakPolarHBondContact O-CD1 3.28Å; S11-L15 VanDerWaalsContact O-CG 3.31Å; S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.13Å; S11-L15 VanDerWaalsContact O-N 3.14Å
12Y50.4Low51.5Low162 Ų162113.1 Ų113.164%0.63561%0.613SS**Hα-helixtrans-73.9-36.3178.5-78.1-82.2000112.1N9 I10 L15 L16N9-Y12 PolarHBondContact O-N 3.14Å; N9-Y12 VanDerWaalsContact O-N 3.13Å; I10-Y12 PolarHBondContact O-N 3.32Å; Y12-L15 PolarHBondContact O-N 3.39Å; Y12-L16 PolarHBondContact O-N 3.15Å; Y12-L16 VanDerWaalsContact O-N 3.15Å
13F56.3Low51.7Low157 Ų157108.9 Ų108.969%0.68960%0.6SS**Hα-helixtrans-66.1-36.3173.8-93.1-87.2000112.9N9 I10 S17N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 2.99Å; I10-F13 PolarHBondContact O-N 2.78Å; F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.19Å; F13-S17 PolarHBondContact O-OG 3.4Å
14L53.2Low52Low104 Ų104107.6 Ų107.655%0.54559%0.592SS.*Hα-helixtrans-68.6-40.3174.1-71.5167.5000111.6I10 L16 S17 V18I10-L14 HydrophobicContact CG2-CD1 3.9Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 VanDerWaalsContact O-CG 3.28Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.01Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.38Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-N 3.24Å; L14-S17 PolarHBondContact O-OG 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.22Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å
15L53.2Low52Low115 Ų115106.3 Ų106.360%0.60258%0.576SS**Hα-helixtrans-65.6-31.2177.6-76.1162000113.4S11 Y12 P19S11-L15 WeakPolarHBondContact O-CD1 3.28Å; S11-L15 VanDerWaalsContact O-CG 3.31Å; S11-L15 WeakPolarHBondContact O-CG 3.31Å; S11-L15 PolarHBondContact O-N 3.13Å; S11-L15 VanDerWaalsContact O-N 3.14Å; Y12-L15 PolarHBondContact O-N 3.39Å; L15-P19 WeakPolarHBondContact O-CD 3.22Å
16L52.6Low52.4Low135 Ų135104.9 Ų104.971%0.70757%0.571SS**Hα-helixtrans-82.5-27177.3-122.295.8000113.7Y12 L14 P19 V20Y12-L16 PolarHBondContact O-N 3.15Å; Y12-L16 VanDerWaalsContact O-N 3.15Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.38Å; L16-P19 WeakPolarHBondContact O-CD 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.23Å
17S55.8Low52.6Low58 Ų58103.1 Ų103.141%0.40656%0.563SS.*Hα-helixtrans-86.5-29.9-175.550.30000113.6F13 L14 V20 L21F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.19Å; F13-S17 PolarHBondContact O-OG 3.4Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-N 3.24Å; L14-S17 PolarHBondContact O-OG 3.46Å; S17-V20 PolarHBondContact O-N 3.17Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.35Å
18V58.3Low52.6Low83 Ų83102.4 Ų102.450%0.50355%0.551SS.*Hα-helixtrans-59.6-47.4176.8175.60000113.1L14 V20 L21 Q22L14-V18 VanDerWaalsContact O-CG2 3.22Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.1Å; V18-L21 PolarHBondContact O-N 2.95Å; V18-Q22 VanDerWaalsContact O-CG 3.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.42Å; V18-Q22 PolarHBondContact O-N 3.39Å; V18-Q22 VanDerWaalsContact O-N 3.1Å
19P57.2Low52.6Low71 Ų7195.5 Ų95.546%0.46154%0.54SS..Hα-helixtrans-69.1-32.3179.226.2-33.7000112.9L15 L16 Q22 T23L15-P19 WeakPolarHBondContact O-CD 3.22Å; L16-P19 WeakPolarHBondContact O-CD 3.15Å; P19-Q22 PolarHBondContact O-N 2.92Å; P19-T23 PolarHBondContact O-N 3.43Å; P19-T23 VanDerWaalsContact O-N 3.14Å; P19-T23 PolarHBondContact O-OG1 3.14Å
20V57.6Low53Low90 Ų9096.2 Ų96.255%0.54554%0.541SS..Hα-helixtrans-68.3-37.7175.9175.50000111.2L16 S17 V18 Q22 T23 V24L16-V20 WeakPolarHBondContact O-CG2 3.23Å; S17-V20 PolarHBondContact O-N 3.17Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.1Å; V20-Q22 VanDerWaalsContact C-N 3.35Å; V20-T23 WeakPolarHBondContact CA-OG1 3.15Å; V20-T23 PolarHBondContact O-OG1 2.93Å; V20-V24 WeakPolarHBondContact O-CG2 3.35Å; V20-V24 PolarHBondContact O-N 3.35Å
21L52.1Low53.3Low109 Ų10992.3 Ų92.357%0.57152%0.522SS*.Hα-helixtrans-69.9-35.4176.9-163.264.9000111.2S17 V18 V24 L25S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 2.95Å; L21-V24 PolarHBondContact O-N 2.93Å; L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CG-CD1 3.71Å; L21-L25 WeakPolarHBondContact O-CD1 3.37Å; L21-L25 PolarHBondContact O-N 3.21Å
22Q50.3Low53.4Low129 Ų12994.6 Ų94.660%0.60353%0.529SS*.Hα-helixtrans-67.3-38.5176.3-63.8-13174.300112.8V18 P19 V20 V24 L25 V26V18-Q22 VanDerWaalsContact O-CG 3.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.42Å; V18-Q22 PolarHBondContact O-N 3.39Å; V18-Q22 VanDerWaalsContact O-N 3.1Å; P19-Q22 PolarHBondContact O-N 2.92Å; V20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-V24 VanDerWaalsContact C-N 3.34Å; Q22-L25 PolarHBondContact O-N 3.4Å; Q22-V26 WeakPolarHBondContact O-CB 3.49Å; Q22-V26 VanDerWaalsContact O-CG2 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.19Å
23T52.3Low54.2Low101 Ų10190.3 Ų90.362%0.6252%0.522SS*.Hα-helixtrans-67-35.1174.141.20000112.4P19 V20 G27P19-T23 PolarHBondContact O-N 3.43Å; P19-T23 VanDerWaalsContact O-N 3.14Å; P19-T23 PolarHBondContact O-OG1 3.14Å; V20-T23 WeakPolarHBondContact CA-OG1 3.15Å; V20-T23 PolarHBondContact O-OG1 2.93Å; T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.14Å
24V50.6Low54.9Low93 Ų9383.2 Ų83.256%0.56449%0.492SS*.Hα-helixtrans-68.8-41174.2171.60000112.1V20 L21 Q22 A28V20-V24 WeakPolarHBondContact O-CG2 3.35Å; V20-V24 PolarHBondContact O-N 3.35Å; L21-V24 PolarHBondContact O-N 2.93Å; Q22-V24 VanDerWaalsContact C-N 3.34Å; V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 3.42Å
25L49.9Very low55.8Low110 Ų11085.1 Ų85.158%0.57650%0.496SS*.Hα-helixtrans-72.5-36178-92.1102.1000113.3L21 Q22 G27 A28 G29L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CG-CD1 3.71Å; L21-L25 WeakPolarHBondContact O-CD1 3.37Å; L21-L25 PolarHBondContact O-N 3.21Å; Q22-L25 PolarHBondContact O-N 3.4Å; L25-G27 VanDerWaalsContact C-N 3.35Å; L25-A28 PolarHBondContact O-N 3.19Å; L25-G29 PolarHBondContact O-N 3.46Å
26V49.2Very low57Low91 Ų9186.7 Ų86.755%0.55250%0.498SS*.Hα-helixtrans-65.6-40.5174.7167.20000110.5Q22 A28 G29 E30Q22-V26 WeakPolarHBondContact O-CB 3.49Å; Q22-V26 VanDerWaalsContact O-CG2 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.19Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 3.04Å; V26-G29 PolarHBondContact O-N 3.14Å; V26-E30 PolarHBondContact O-N 3.36Å
27G48.8Very low58.5Low27 Ų2781.1 Ų81.128%0.27847%0.474SS..Hα-helixtrans-65-30.317100000113.9T23 L25 C31T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.14Å; L25-G27 VanDerWaalsContact C-N 3.35Å; G27-C31 PolarHBondContact O-SG 3.48Å
28A49.9Very low59.8Low56 Ų5680.7 Ų80.746%0.46347%0.465SS..Hα-helixtrans-75.7-34.7175.700000113V24 L25 V26 C31 D32V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 3.42Å; L25-A28 PolarHBondContact O-N 3.19Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 3.04Å; A28-C31 PolarHBondContact O-N 3.46Å; A28-D32 PolarHBondContact O-N 2.04Å
29G50.9Low61Low50 Ų5079.4 Ų79.452%0.51546%0.459SS..Hα-helixtrans-68.5-35.6-17900000114.1L25 V26L25-G29 PolarHBondContact O-N 3.46Å; V26-G29 PolarHBondContact O-N 3.14Å
30E54.7Low62.6Low106 Ų10680.4 Ų80.450%0.49546%0.461SS..Hα-helixtrans-70.6-37.7173.8-108.5162.293.600111.7V26 S33V26-E30 PolarHBondContact O-N 3.36Å; E30-S33 PolarHBondContact O-N 3.07Å; E30-S33 PolarHBondContact O-OG 2.67Å
31C61.4Low64.1Low22 Ų2276.3 Ų76.315%0.14944%0.436CS..Hα-helixtrans-82.1-15179.6-55.10000114G27 A28 S33 V34 F35 C83G27-C31 PolarHBondContact O-SG 3.48Å; A28-C31 PolarHBondContact O-N 3.46Å; C31-S33 PolarHBondContact O-N 3.39Å; C31-V34 WeakPolarHBondContact O-CB 3.34Å; C31-V34 PolarHBondContact O-N 3.38Å; C31-F35 VanDerWaalsContact O-CD2 3.31Å; C31-F35 WeakPolarHBondContact O-CD2 3.36Å; C31-F35 PolarHBondContact O-N 3.25Å; C31-C83 HydrophobicContact CB-CB 4.04Å; C31-C83 WeakPolarHBondContact CB-SG 3.18Å; C31-C83 WeakPolarHBondContact SG-CB 3.14Å; C31-C83 CovalentContact SG-SG 2.04Å; C31-C83 PolarHBondContact SG-SG 2.94Å
32D57.9Low65.9Low117 Ų11774.8 Ų74.863%0.62643%0.428SS*.Hα-helixtrans-62.1-33.7169.8-153.655.9000111A28 V34 K36A28-D32 PolarHBondContact O-N 2.04Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.25Å; D32-K36 PolarHBondContact O-N 3.23Å
33S66.2Low67.9Low72 Ų7274.2 Ų74.250%0.50343%0.428SS..Hα-helixtrans-68.5-29172.981.50000113.1E30 C31 K36 G37E30-S33 PolarHBondContact O-N 3.07Å; E30-S33 PolarHBondContact O-OG 2.67Å; C31-S33 PolarHBondContact O-N 3.39Å; S33-K36 PolarHBondContact O-N 3.22Å; S33-G37 PolarHBondContact O-N 3.48Å
34V71.1Confident69.9Low8 Ų875.6 Ų75.65%0.04842%0.421CS..Hα-helixtrans-71.1-44.7177.9166.20000111.6C31 D32 K36 G37 F38 A79 L80 C83C31-V34 WeakPolarHBondContact O-CB 3.34Å; C31-V34 PolarHBondContact O-N 3.38Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.25Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.93Å; V34-G37 PolarHBondContact O-N 2.94Å; V34-F38 WeakPolarHBondContact O-CB 3.31Å; V34-F38 PolarHBondContact O-N 2.73Å; V34-A79 VanDerWaalsContact CG1-O 3.27Å; V34-A79 WeakPolarHBondContact CG1-O 3.5Å; V34-A79 WeakPolarHBondContact CG2-O 3.46Å; V34-L80 HydrophobicContact CG1-CD2 3.61Å; V34-L80 HydrophobicContact CG1-CG 4.27Å; V34-C83 HydrophobicContact CB-CB 4.24Å; V34-C83 HydrophobicContact CG1-CB 4.45Å; V34-C83 HydrophobicContact CG2-CB 3.46Å; V34-C83 VanDerWaalsContact CG2-CB 3.46Å
35F71.5Confident71.8Confident145 Ų14572.4 Ų72.464%0.63640%0.401SS*.Hα-helixtrans-62.5-39.7174.1-74.5-72.1000111.8C31 S39C31-F35 VanDerWaalsContact O-CD2 3.31Å; C31-F35 WeakPolarHBondContact O-CD2 3.36Å; C31-F35 PolarHBondContact O-N 3.25Å; F35-S39 WeakPolarHBondContact O-CB 3.12Å; F35-S39 PolarHBondContact O-N 2.8Å; F35-S39 PolarHBondContact O-OG 3.42Å
36K79.1Confident73.6Confident147 Ų14769.1 Ų69.164%0.63939%0.394SS*.Hα-helixtrans-63.2-44.9173.2-174.2178.4179.7-179.50111.7D32 S33 V34 S39 N40D32-K36 PolarHBondContact O-N 3.23Å; S33-K36 PolarHBondContact O-N 3.22Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.93Å; K36-S39 PolarHBondContact O-N 3.43Å; K36-N40 WeakPolarHBondContact O-CB 3.27Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.32Å; K36-N40 PolarHBondContact O-ND2 3.42Å
37G83.3Confident75.7Confident19 Ų1969.4 Ų69.420%0.19639%0.393CS..Hα-helixtrans-61.4-49.5177.100000112.4S33 V34 S39 N40 C41S33-G37 PolarHBondContact O-N 3.48Å; V34-G37 PolarHBondContact O-N 2.94Å; G37-S39 VanDerWaalsContact C-N 3.34Å; G37-S39 PolarHBondContact O-N 3.14Å; G37-N40 WeakPolarHBondContact O-CB 3.33Å; G37-N40 PolarHBondContact O-N 2.99Å; G37-C41 PolarHBondContact O-N 3.01Å; G37-C41 PolarHBondContact O-SG 2.82Å
38F83.6Confident77.6Confident49 Ų4969.7 Ų69.722%0.21539%0.386CS..Hα-helixtrans-60.8-42.9176.7179.7-105.5000112.1V34 N40 C41 L42 F72 A76 L80 W91V34-F38 WeakPolarHBondContact O-CB 3.31Å; V34-F38 PolarHBondContact O-N 2.73Å; F38-N40 VanDerWaalsContact C-N 3.35Å; F38-N40 PolarHBondContact O-N 3.44Å; F38-C41 WeakPolarHBondContact O-CB 3.33Å; F38-C41 PolarHBondContact O-N 3.48Å; F38-C41 VanDerWaalsContact O-N 3.16Å; F38-L42 HydrophobicContact CD1-CD1 3.95Å; F38-L42 HydrophobicContact CD1-CG 4.49Å; F38-L42 HydrophobicContact CE1-CD1 3.45Å; F38-L42 VanDerWaalsContact CE1-CD1 3.45Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 3.99Å; F38-L42 HydrophobicContact CZ-CD2 4.4Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 3.43Å; F38-F72 HydrophobicContact CE2-CE2 4.38Å; F38-F72 HydrophobicContact CE2-CZ 4.11Å; F38-F72 HydrophobicContact CZ-CZ 4.46Å; F38-A76 HydrophobicContact CD2-CB 3.84Å; F38-A76 HydrophobicContact CE2-CB 3.88Å; F38-L80 HydrophobicContact CD2-CD1 3.85Å; F38-L80 HydrophobicContact CE2-CD1 4.24Å; F38-W91 AromaticContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CZ3 4.13Å
39S83.9Confident79.3Confident55 Ų5571 Ų7139%0.38538%0.384SS..Hα-helixtrans-63.8-39.4176.9-63.10000111.8F35 K36 G37 C41 L42 I43F35-S39 WeakPolarHBondContact O-CB 3.12Å; F35-S39 PolarHBondContact O-N 2.8Å; F35-S39 PolarHBondContact O-OG 3.42Å; K36-S39 PolarHBondContact O-N 3.43Å; G37-S39 VanDerWaalsContact C-N 3.34Å; G37-S39 PolarHBondContact O-N 3.14Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-C41 PolarHBondContact O-N 3.22Å; S39-L42 PolarHBondContact O-N 3.41Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 3.08Å
40N90Very high81.1Confident93 Ų9372.4 Ų72.450%0.49739%0.391SS..Hα-helixtrans-62.4-39.7172.2-74-26.1000112.1K36 G37 F38 L42 I43 R44K36-N40 WeakPolarHBondContact O-CB 3.27Å; K36-N40 VanDerWaalsContact O-CG 3.27Å; K36-N40 PolarHBondContact O-N 3.32Å; K36-N40 PolarHBondContact O-ND2 3.42Å; G37-N40 WeakPolarHBondContact O-CB 3.33Å; G37-N40 PolarHBondContact O-N 2.99Å; F38-N40 VanDerWaalsContact C-N 3.35Å; F38-N40 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.49Å; N40-I43 PolarHBondContact O-N 3.49Å; N40-R44 WeakPolarHBondContact O-CB 3.19Å; N40-R44 PolarHBondContact O-N 3.16Å
41C89.7Confident82.7Confident3 Ų372.7 Ų72.72%0.0240%0.396CS..Hα-helixtrans-61-42.6174.2-56.20000111.6G37 F38 S39 R44 L45 F72 C75G37-C41 PolarHBondContact O-N 3.01Å; G37-C41 PolarHBondContact O-SG 2.82Å; F38-C41 WeakPolarHBondContact O-CB 3.33Å; F38-C41 PolarHBondContact O-N 3.48Å; F38-C41 VanDerWaalsContact O-N 3.16Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-C41 PolarHBondContact O-N 3.22Å; C41-R44 PolarHBondContact O-N 2.94Å; C41-L45 PolarHBondContact O-N 3.4Å; C41-L45 VanDerWaalsContact O-N 3.09Å; C41-F72 HydrophobicContact CB-CD2 4Å; C41-F72 HydrophobicContact CB-CE2 4.15Å; C41-C75 HydrophobicContact CB-CB 3.82Å; C41-C75 WeakPolarHBondContact CB-SG 3.43Å; C41-C75 WeakPolarHBondContact SG-CB 3.39Å; C41-C75 PolarHBondContact SG-O 3.25Å; C41-C75 CovalentContact SG-SG 2.04Å; C41-C75 PolarHBondContact SG-SG 2.97Å
42L90.7Very high83.9Confident78 Ų7873.3 Ų73.341%0.40840%0.395SS..Hα-helixtrans-64.6-46176.7-74.8173.5000112.6F38 S39 N40 R44 L45 G46 F72F38-L42 HydrophobicContact CD1-CD1 3.95Å; F38-L42 HydrophobicContact CD1-CG 4.49Å; F38-L42 HydrophobicContact CE1-CD1 3.45Å; F38-L42 VanDerWaalsContact CE1-CD1 3.45Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 3.99Å; F38-L42 HydrophobicContact CZ-CD2 4.4Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 3.43Å; S39-L42 PolarHBondContact O-N 3.41Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.49Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 2.85Å; L42-G46 PolarHBondContact O-N 2.87Å; L42-F72 HydrophobicContact CD2-CD2 4.45Å; L42-F72 HydrophobicContact CD2-CE2 3.47Å; L42-F72 VanDerWaalsContact CD2-CE2 3.47Å; L42-F72 HydrophobicContact CD2-CZ 3.72Å; L42-F72 HydrophobicContact CG-CE2 3.93Å; L42-F72 HydrophobicContact CG-CZ 4.49Å
43I92.3Very high85.3Confident116 Ų11669.3 Ų69.360%0.59538%0.376SS*.Hα-helixtrans-60.3-43.9178.3-69.6168000110.1S39 N40 L45 G46 D47S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 3.08Å; N40-I43 PolarHBondContact O-N 3.49Å; I43-L45 PolarHBondContact O-N 3.47Å; I43-G46 PolarHBondContact O-N 3.41Å; I43-D47 PolarHBondContact O-N 2.04Å
44R92.4Very high86Confident130 Ų13074.1 Ų74.149%0.49139%0.39SS..Hα-helixtrans-61.2-44.1177.9-177.1176172.8-148.6-11.1112.4N40 C41 L42 G46 D47 E48N40-R44 WeakPolarHBondContact O-CB 3.19Å; N40-R44 PolarHBondContact O-N 3.16Å; C41-R44 PolarHBondContact O-N 2.94Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; R44-G46 VanDerWaalsContact C-N 3.3Å; R44-G46 PolarHBondContact O-N 3.49Å; R44-D47 PolarHBondContact O-N 3.48Å; R44-E48 IonicContact CZ-OE1 3.33Å; R44-E48 IonicContact NE-OE1 3.1Å; R44-E48 PolarHBondContact NE-OE1 3.18Å; R44-E48 VanDerWaalsContact NE-OE1 3.1Å; R44-E48 IonicContact NH2-OE1 2.84Å; R44-E48 PolarHBondContact NH2-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.36Å; R44-E48 PolarHBondContact O-N 3.01Å
45L91Very high86.5Confident27 Ų2780.6 Ų80.614%0.14143%0.425CS..Hα-helixtrans-60.8-43.1174.5178.163.8000111.1C41 L42 I43 D47 E48 M49 W69 F72C41-L45 PolarHBondContact O-N 3.4Å; C41-L45 VanDerWaalsContact O-N 3.09Å; L42-L45 PolarHBondContact O-N 2.85Å; I43-L45 PolarHBondContact O-N 3.47Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.36Å; L45-E48 PolarHBondContact O-N 2.99Å; L45-M49 HydrophobicContact CD1-CG 4.27Å; L45-M49 WeakPolarHBondContact O-CB 3.21Å; L45-M49 VanDerWaalsContact O-CG 3.22Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 3.38Å; L45-W69 HydrophobicContact CD2-CE3 4.47Å; L45-F72 HydrophobicContact CB-CB 4.22Å; L45-F72 HydrophobicContact CB-CD2 4.27Å; L45-F72 HydrophobicContact CB-CG 4.41Å; L45-F72 HydrophobicContact CD1-CB 4.25Å; L45-F72 HydrophobicContact CD2-CB 4.02Å; L45-F72 HydrophobicContact CD2-CD1 4.13Å; L45-F72 HydrophobicContact CD2-CD2 4.13Å; L45-F72 HydrophobicContact CD2-CG 3.8Å; L45-F72 HydrophobicContact CG-CB 4.39Å
46G88.7Confident87Confident41 Ų4175.6 Ų75.642%0.42340%0.404SS..Hα-helixtrans-58.6-42.5175.400000112.7L42 I43 R44 M49 A50L42-G46 PolarHBondContact O-N 2.87Å; I43-G46 PolarHBondContact O-N 3.41Å; R44-G46 VanDerWaalsContact C-N 3.3Å; R44-G46 PolarHBondContact O-N 3.49Å; G46-M49 PolarHBondContact O-N 3.05Å; G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.42Å; G46-A50 PolarHBondContact O-N 3.1Å
47D92.4Very high87.1Confident97 Ų9774.5 Ų74.552%0.51941%0.405SS..Hα-helixtrans-69.1-41.4177.9-17054.5000112.4I43 R44 L45 M49 A50 N51I43-D47 PolarHBondContact O-N 2.04Å; R44-D47 PolarHBondContact O-N 3.48Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.36Å; D47-M49 VanDerWaalsContact C-N 3.27Å; D47-M49 PolarHBondContact O-N 3.05Å; D47-A50 PolarHBondContact O-N 2.99Å; D47-N51 PolarHBondContact O-N 3.2Å; D47-N51 PolarHBondContact O-ND2 2.86Å; D47-N51 PolarHBondContact OD1-ND2 2.89Å
48E88.7Confident86.7Confident32 Ų3280.3 Ų80.315%0.1543%0.432CS..Hα-helixtrans-61.6-35.9173.8-73.6177.6173.700111.6R44 L45 Y68R44-E48 IonicContact CZ-OE1 3.33Å; R44-E48 IonicContact NE-OE1 3.1Å; R44-E48 PolarHBondContact NE-OE1 3.18Å; R44-E48 VanDerWaalsContact NE-OE1 3.1Å; R44-E48 IonicContact NH2-OE1 2.84Å; R44-E48 PolarHBondContact NH2-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.36Å; R44-E48 PolarHBondContact O-N 3.01Å; L45-E48 PolarHBondContact O-N 2.99Å; E48-Y68 HydrophobicContact CB-CD1 3.89Å; E48-Y68 HydrophobicContact CB-CD2 4.03Å; E48-Y68 HydrophobicContact CB-CE1 4Å; E48-Y68 HydrophobicContact CB-CE2 4.14Å; E48-Y68 HydrophobicContact CB-CG 3.9Å; E48-Y68 HydrophobicContact CG-CD1 4.1Å; E48-Y68 HydrophobicContact CG-CE1 4.12Å; E48-Y68 WeakPolarHBondContact O-CE2 3.15Å; E48-Y68 WeakPolarHBondContact OE2-CD1 3.29Å
49M86.1Confident86.4Confident85 Ų8588 Ų8842%0.41946%0.459SS..Hα-helixtrans-79-31.7175.6-67.4-66.4-69.400113.2L45 G46 D47 Y52 Y68L45-M49 HydrophobicContact CD1-CG 4.27Å; L45-M49 WeakPolarHBondContact O-CB 3.21Å; L45-M49 VanDerWaalsContact O-CG 3.22Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 3.38Å; G46-M49 PolarHBondContact O-N 3.05Å; D47-M49 VanDerWaalsContact C-N 3.27Å; D47-M49 PolarHBondContact O-N 3.05Å; M49-Y52 VanDerWaalsContact O-CB 3.26Å; M49-Y52 WeakPolarHBondContact O-CB 3.42Å; M49-Y52 PolarHBondContact O-N 3.21Å; M49-Y68 HydrophobicContact SD-CD2 4.14Å
50A88.4Confident86.2Confident79 Ų7990.6 Ų90.665%0.65347%0.466SS*.Hα-helixtrans-70.2-34.2176.600000112.1G46 D47 Y52G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.42Å; G46-A50 PolarHBondContact O-N 3.1Å; D47-A50 PolarHBondContact O-N 2.99Å; A50-Y52 VanDerWaalsContact C-N 3.3Å
51N88.4Confident85.7Confident111 Ų11187.2 Ų87.259%0.59445%0.449SS*.THydrogen-bonded Turntrans-9626177.8-60.3-66.9000112.5D47D47-N51 PolarHBondContact O-N 3.2Å; D47-N51 PolarHBondContact O-ND2 2.86Å; D47-N51 PolarHBondContact OD1-ND2 2.89Å
52Y87.4Confident85.3Confident35 Ų3591.3 Ų91.314%0.13747%0.47CS..  trans-68.3127-175.9-169-92.6000111.9M49 A50 Q54 L56 S61 K64 I65 Y68M49-Y52 VanDerWaalsContact O-CB 3.26Å; M49-Y52 WeakPolarHBondContact O-CB 3.42Å; M49-Y52 PolarHBondContact O-N 3.21Å; A50-Y52 VanDerWaalsContact C-N 3.3Å; Y52-Q54 PolarHBondContact O-N 3.44Å; Y52-Q54 PolarHBondContact O-NE2 3.45Å; Y52-L56 HydrophobicContact CE1-CD1 4.27Å; Y52-S61 WeakPolarHBondContact OH-CA 3.1Å; Y52-S61 WeakPolarHBondContact OH-CB 3.1Å; Y52-S61 PolarHBondContact OH-O 2.96Å; Y52-K64 HydrophobicContact CE2-CB 4.26Å; Y52-K64 HydrophobicContact CE2-CD 4.48Å; Y52-K64 HydrophobicContact CE2-CG 4.31Å; Y52-I65 HydrophobicContact CE2-CD1 4.3Å; Y52-I65 HydrophobicContact CE2-CG1 3.58Å; Y52-Y68 HydrophobicContact CD2-CD2 4.37Å; Y52-Y68 AromaticContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CE2-CE2 4.11Å
53P85.8Confident84.9Confident34 Ų3492.2 Ų92.222%0.22148%0.475CS..  trans-66.2129.4179.10.810.7000110.5L56 K64P53-L56 HydrophobicContact CB-CD1 4.13Å; P53-L56 HydrophobicContact CB-CG 4.1Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.32Å; P53-K64 HydrophobicContact CG-CD 4.1Å
54Q80.6Confident84.5Confident173 Ų17390 Ų9081%0.80846%0.462SS*.SBendtrans-88-7.8-174.6-62.5-64.8-60.800113.1Y52Y52-Q54 PolarHBondContact O-N 3.44Å; Y52-Q54 PolarHBondContact O-NE2 3.45Å
55D82.8Confident84.1Confident144 Ų14485.7 Ų85.777%0.7745%0.448SS*.SBendtrans-106.936.4-172.460.3-45.4000112.6
56L81.1Confident83.8Confident40 Ų4085.3 Ų85.321%0.20945%0.447CS..  trans-105.2139.5179.3-67176000111.5Y52 P53 E60 S61 K64Y52-L56 HydrophobicContact CE1-CD1 4.27Å; P53-L56 HydrophobicContact CB-CD1 4.13Å; P53-L56 HydrophobicContact CB-CG 4.1Å; P53-L56 HydrophobicContact CG-CD1 3.86Å; P53-L56 HydrophobicContact CG-CG 4.32Å; L56-E60 HydrophobicContact CB-CB 4.3Å; L56-E60 HydrophobicContact CD2-CB 4.24Å; L56-S61 WeakPolarHBondContact CB-OG 3.27Å; L56-S61 PolarHBondContact O-OG 2.96Å; L56-K64 HydrophobicContact CD1-CB 4.5Å; L56-K64 HydrophobicContact CD1-CD 3.66Å
57D81.6Confident83.7Confident123 Ų12386.5 Ų86.566%0.65845%0.446SS*.  trans-59.7151.1166.7-80.5-52.2000110.8R59 E60 S61D57-R59 PolarHBondContact O-N 3.26Å; D57-E60 PolarHBondContact O-N 2.88Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.47Å; D57-S61 PolarHBondContact O-OG 3.48Å
58D76.3Confident83.5Confident141 Ų14183.6 Ų83.675%0.75443%0.429SS*.Hα-helixtrans-52.1-37.1-175.4-68-35.2000113.4L62D58-L62 WeakPolarHBondContact O-CG 3.35Å; D58-L62 PolarHBondContact O-N 3.17Å; D58-L62 VanDerWaalsContact O-N 3.09Å
59R76.8Confident83.3Confident211 Ų21184.5 Ų84.580%0.79643%0.43SS*.Hα-helixtrans-69.1-43177.2-83.6-178.761.8109.71.3112.8D57 S61 N63D57-R59 PolarHBondContact O-N 3.26Å; R59-S61 VanDerWaalsContact C-N 3.29Å; R59-N63 WeakPolarHBondContact O-CB 3.31Å; R59-N63 PolarHBondContact O-N 3.3Å; R59-N63 VanDerWaalsContact O-N 3.13Å
60E79.6Confident83.3Confident110 Ų11085.4 Ų85.451%0.51444%0.437SS..Hα-helixtrans-69.3-36.7178.2-64.9-167.6157.900110.4L56 D57 N63 K64L56-E60 HydrophobicContact CB-CB 4.3Å; L56-E60 HydrophobicContact CD2-CB 4.24Å; D57-E60 PolarHBondContact O-N 2.88Å; E60-N63 PolarHBondContact O-N 3.09Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.78Å
61S79.8Confident83.3Confident22 Ų2284.5 Ų84.515%0.15442%0.421CS..Hα-helixtrans-58.1-53.6176.1-68.50000111.7Y52 L56 D57 R59 N63 K64 I65Y52-S61 WeakPolarHBondContact OH-CA 3.1Å; Y52-S61 WeakPolarHBondContact OH-CB 3.1Å; Y52-S61 PolarHBondContact OH-O 2.96Å; L56-S61 WeakPolarHBondContact CB-OG 3.27Å; L56-S61 PolarHBondContact O-OG 2.96Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.47Å; D57-S61 PolarHBondContact O-OG 3.48Å; R59-S61 VanDerWaalsContact C-N 3.29Å; S61-N63 PolarHBondContact O-N 2.93Å; S61-K64 PolarHBondContact O-N 2.91Å; S61-I65 VanDerWaalsContact O-CG1 3.31Å; S61-I65 WeakPolarHBondContact O-CG1 3.42Å; S61-I65 PolarHBondContact O-N 3Å
62L80.4Confident83.3Confident88 Ų8880.4 Ų80.446%0.46140%0.398SS..Hα-helixtrans-62.5-41.2178.1-72.8176.8000112.5D58 K64 I65 C66D58-L62 WeakPolarHBondContact O-CG 3.35Å; D58-L62 PolarHBondContact O-N 3.17Å; D58-L62 VanDerWaalsContact O-N 3.09Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; L62-I65 PolarHBondContact O-N 3.03Å; L62-C66 WeakPolarHBondContact O-CB 3.31Å; L62-C66 PolarHBondContact O-N 3.29Å; L62-C66 PolarHBondContact O-SG 2.82Å
63N81.9Confident83.1Confident97 Ų9781 Ų8152%0.51940%0.402SS..Hα-helixtrans-62.2-40.8178.5-168.422.3000111.8R59 E60 S61 C66 T67R59-N63 WeakPolarHBondContact O-CB 3.31Å; R59-N63 PolarHBondContact O-N 3.3Å; R59-N63 VanDerWaalsContact O-N 3.13Å; E60-N63 PolarHBondContact O-N 3.09Å; S61-N63 PolarHBondContact O-N 2.93Å; N63-C66 PolarHBondContact O-N 3.44Å; N63-T67 PolarHBondContact O-N 3.43Å; N63-T67 PolarHBondContact O-OG1 3.49Å
64K84.6Confident83.1Confident71 Ų7182.9 Ų82.931%0.30942%0.416SS..Hα-helixtrans-68.7-43.4179.5-162.2164-173.2154.90112Y52 P53 L56 E60 S61 L62 C66 T67 Y68Y52-K64 HydrophobicContact CE2-CB 4.26Å; Y52-K64 HydrophobicContact CE2-CD 4.48Å; Y52-K64 HydrophobicContact CE2-CG 4.31Å; P53-K64 HydrophobicContact CG-CD 4.1Å; L56-K64 HydrophobicContact CD1-CB 4.5Å; L56-K64 HydrophobicContact CD1-CD 3.66Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.78Å; S61-K64 PolarHBondContact O-N 2.91Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.39Å; K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.9Å; K64-T67 VanDerWaalsContact O-N 3.12Å; K64-Y68 WeakPolarHBondContact CE-OH 3.33Å; K64-Y68 HydrophobicContact CG-CE1 4.35Å; K64-Y68 HydrophobicContact CG-CE2 3.84Å; K64-Y68 PolarHBondContact O-N 3.1Å
65I84.3Confident83.3Confident38 Ų3876.8 Ų76.820%0.19539%0.392CS..Hα-helixtrans-58.8-44173.7-69.1166.3000110.7Y52 S61 L62 T67 Y68 W69 L107Y52-I65 HydrophobicContact CE2-CD1 4.3Å; Y52-I65 HydrophobicContact CE2-CG1 3.58Å; S61-I65 VanDerWaalsContact O-CG1 3.31Å; S61-I65 WeakPolarHBondContact O-CG1 3.42Å; S61-I65 PolarHBondContact O-N 3Å; L62-I65 PolarHBondContact O-N 3.03Å; I65-T67 VanDerWaalsContact C-N 3.3Å; I65-T67 PolarHBondContact O-N 3.28Å; I65-Y68 PolarHBondContact O-N 3.45Å; I65-W69 WeakPolarHBondContact O-CB 3.29Å; I65-W69 PolarHBondContact O-N 3.4Å; I65-L107 HydrophobicContact CG2-CD2 3.26Å
66C83.8Confident83.4Confident20 Ų2069.9 Ų69.914%0.13536%0.355CS..Hα-helixtrans-67.3-30.9177.1-67.20000113.3L62 N63 K64 D70 C111L62-C66 WeakPolarHBondContact O-CB 3.31Å; L62-C66 PolarHBondContact O-N 3.29Å; L62-C66 PolarHBondContact O-SG 2.82Å; N63-C66 PolarHBondContact O-N 3.44Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.39Å; C66-D70 WeakPolarHBondContact O-CB 3.35Å; C66-D70 PolarHBondContact O-N 2.78Å; C66-C111 WeakPolarHBondContact CA-SG 3.42Å; C66-C111 HydrophobicContact CB-CB 3.58Å; C66-C111 WeakPolarHBondContact CB-SG 3.45Å; C66-C111 VanDerWaalsContact SG-CA 3.51Å; C66-C111 WeakPolarHBondContact SG-CB 3.27Å; C66-C111 CovalentContact SG-SG 2.04Å; C66-C111 PolarHBondContact SG-SG 2.83Å
67T86.4Confident83.1Confident65 Ų6569.9 Ų69.940%0.39936%0.357SS..Hα-helixtrans-66.6-45.5173.3-57.10000111.3N63 K64 I65 W69 D70 N71N63-T67 PolarHBondContact O-N 3.43Å; N63-T67 PolarHBondContact O-OG1 3.49Å; K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.9Å; K64-T67 VanDerWaalsContact O-N 3.12Å; I65-T67 VanDerWaalsContact C-N 3.3Å; I65-T67 PolarHBondContact O-N 3.28Å; T67-W69 VanDerWaalsContact C-N 3.33Å; T67-W69 PolarHBondContact O-N 2.84Å; T67-D70 PolarHBondContact O-N 3.18Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.71Å
68Y88.4Confident83.1Confident37 Ų3767.9 Ų67.915%0.14535%0.349CS..Hα-helixtrans-62-42.1175.8-61-28.4000112E48 M49 Y52 K64 I65 N71 F72E48-Y68 HydrophobicContact CB-CD1 3.89Å; E48-Y68 HydrophobicContact CB-CD2 4.03Å; E48-Y68 HydrophobicContact CB-CE1 4Å; E48-Y68 HydrophobicContact CB-CE2 4.14Å; E48-Y68 HydrophobicContact CB-CG 3.9Å; E48-Y68 HydrophobicContact CG-CD1 4.1Å; E48-Y68 HydrophobicContact CG-CE1 4.12Å; E48-Y68 WeakPolarHBondContact O-CE2 3.15Å; E48-Y68 WeakPolarHBondContact OE2-CD1 3.29Å; M49-Y68 HydrophobicContact SD-CD2 4.14Å; Y52-Y68 HydrophobicContact CD2-CD2 4.37Å; Y52-Y68 AromaticContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CD2-CE2 3.79Å; Y52-Y68 HydrophobicContact CE2-CE2 4.11Å; K64-Y68 WeakPolarHBondContact CE-OH 3.33Å; K64-Y68 HydrophobicContact CG-CE1 4.35Å; K64-Y68 HydrophobicContact CG-CE2 3.84Å; K64-Y68 PolarHBondContact O-N 3.1Å; I65-Y68 PolarHBondContact O-N 3.45Å; Y68-N71 PolarHBondContact O-N 2.91Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 PolarHBondContact O-N 3.31Å
69W85.6Confident83.2Confident50 Ų5061.9 Ų61.919%0.18932%0.319CS..Hα-helixtrans-61.9-44.9175.2178.6-106.7000113.1L45 I65 T67 F72 H73 L107 C111L45-W69 HydrophobicContact CD2-CE3 4.47Å; I65-W69 WeakPolarHBondContact O-CB 3.29Å; I65-W69 PolarHBondContact O-N 3.4Å; T67-W69 VanDerWaalsContact C-N 3.33Å; T67-W69 PolarHBondContact O-N 2.84Å; W69-F72 AromaticContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CH2-CD1 4.34Å; W69-F72 HydrophobicContact CH2-CE1 4.19Å; W69-F72 AromaticContact CZ3-CD1 3.76Å; W69-F72 HydrophobicContact CZ3-CD1 3.76Å; W69-F72 AromaticContact CZ3-CE1 3.89Å; W69-F72 HydrophobicContact CZ3-CE1 3.89Å; W69-F72 PolarHBondContact O-N 3.41Å; W69-H73 WeakPolarHBondContact O-CB 3.47Å; W69-H73 PolarHBondContact O-N 2.86Å; W69-L107 HydrophobicContact CB-CD2 4.35Å; W69-L107 HydrophobicContact CD2-CB 3.68Å; W69-L107 HydrophobicContact CD2-CD1 4.35Å; W69-L107 HydrophobicContact CD2-CG 4.46Å; W69-L107 HydrophobicContact CE3-CB 3.8Å; W69-L107 HydrophobicContact CE3-CD1 3.67Å; W69-L107 HydrophobicContact CE3-CG 4.25Å; W69-L107 HydrophobicContact CG-CB 4.1Å; W69-L107 HydrophobicContact CH2-CB 4.44Å; W69-L107 HydrophobicContact CZ2-CB 4.36Å; W69-L107 HydrophobicContact CZ3-CB 4.18Å; W69-L107 HydrophobicContact CZ3-CD1 4Å; W69-C111 HydrophobicContact CG-CB 4.43Å
70D85.6Confident82.9Confident105 Ų10552.9 Ų52.956%0.56129%0.286SS*.Hα-helixtrans-65.3-40.8179.6-165.858000111.7C66 T67 F72 H73 S74C66-D70 WeakPolarHBondContact O-CB 3.35Å; C66-D70 PolarHBondContact O-N 2.78Å; T67-D70 PolarHBondContact O-N 3.18Å; D70-F72 PolarHBondContact O-N 3.24Å; D70-H73 PolarHBondContact O-N 3.01Å; D70-S74 WeakPolarHBondContact O-CB 3.29Å; D70-S74 PolarHBondContact O-N 2.82Å
71N88.3Confident82.4Confident60 Ų6050.5 Ų50.532%0.32129%0.286SS..Hα-helixtrans-60.6-45.8173.8-72.4-25.2000112.2T67 Y68 C75T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.71Å; Y68-N71 PolarHBondContact O-N 2.91Å; N71-C75 VanDerWaalsContact O-CB 3.29Å; N71-C75 WeakPolarHBondContact O-CB 3.22Å; N71-C75 PolarHBondContact O-N 3.38Å
72F89Confident81.7Confident24 Ų2454.9 Ų54.911%0.10531%0.308CS..Hα-helixtrans-59.5-47.3174.1164.4-103.3000111.2F38 C41 L42 L45 Y68 W69 D70 S74 C75 A76F38-F72 HydrophobicContact CE2-CE2 4.38Å; F38-F72 HydrophobicContact CE2-CZ 4.11Å; F38-F72 HydrophobicContact CZ-CZ 4.46Å; C41-F72 HydrophobicContact CB-CD2 4Å; C41-F72 HydrophobicContact CB-CE2 4.15Å; L42-F72 HydrophobicContact CD2-CD2 4.45Å; L42-F72 HydrophobicContact CD2-CE2 3.47Å; L42-F72 VanDerWaalsContact CD2-CE2 3.47Å; L42-F72 HydrophobicContact CD2-CZ 3.72Å; L42-F72 HydrophobicContact CG-CE2 3.93Å; L42-F72 HydrophobicContact CG-CZ 4.49Å; L45-F72 HydrophobicContact CB-CB 4.22Å; L45-F72 HydrophobicContact CB-CD2 4.27Å; L45-F72 HydrophobicContact CB-CG 4.41Å; L45-F72 HydrophobicContact CD1-CB 4.25Å; L45-F72 HydrophobicContact CD2-CB 4.02Å; L45-F72 HydrophobicContact CD2-CD1 4.13Å; L45-F72 HydrophobicContact CD2-CD2 4.13Å; L45-F72 HydrophobicContact CD2-CG 3.8Å; L45-F72 HydrophobicContact CG-CB 4.39Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 PolarHBondContact O-N 3.31Å; W69-F72 AromaticContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CE3-CD1 3.93Å; W69-F72 HydrophobicContact CH2-CD1 4.34Å; W69-F72 HydrophobicContact CH2-CE1 4.19Å; W69-F72 AromaticContact CZ3-CD1 3.76Å; W69-F72 HydrophobicContact CZ3-CD1 3.76Å; W69-F72 AromaticContact CZ3-CE1 3.89Å; W69-F72 HydrophobicContact CZ3-CE1 3.89Å; W69-F72 PolarHBondContact O-N 3.41Å; D70-F72 PolarHBondContact O-N 3.24Å; F72-S74 PolarHBondContact O-N 3.45Å; F72-C75 PolarHBondContact O-N 3.38Å; F72-A76 HydrophobicContact CE2-CB 4.19Å; F72-A76 HydrophobicContact CZ-CB 4.17Å; F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.22Å; F72-A76 PolarHBondContact O-N 3.39Å
73H83.1Confident81.1Confident49 Ų4951.3 Ų51.323%0.22729%0.29CS..Hα-helixtrans-63.2-42-177-174.1-82.7000111.8W69 D70 T77W69-H73 WeakPolarHBondContact O-CB 3.47Å; W69-H73 PolarHBondContact O-N 2.86Å; D70-H73 PolarHBondContact O-N 3.01Å; H73-T77 WeakPolarHBondContact O-CB 3.47Å; H73-T77 PolarHBondContact O-N 3.34Å; H73-T77 PolarHBondContact O-OG1 3.26Å
74S85.7Confident79.8Confident72 Ų7253 Ų5350%0.50330%0.295SS..Hα-helixtrans-61.2-51.7173.2-174.20000111.3D70 F72 A76 T77 T78D70-S74 WeakPolarHBondContact O-CB 3.29Å; D70-S74 PolarHBondContact O-N 2.82Å; F72-S74 PolarHBondContact O-N 3.45Å; S74-A76 PolarHBondContact O-N 2.84Å; S74-T77 PolarHBondContact O-N 3.47Å; S74-T78 PolarHBondContact O-N 3.04Å; S74-T78 PolarHBondContact O-OG1 2.9Å
75C85.5Confident78.2Confident45 Ų4559.2 Ų59.230%0.30433%0.325SS..Hα-helixtrans-56.5-49.9178.5-176.20000112.5C41 N71 F72 T78 A79C41-C75 HydrophobicContact CB-CB 3.82Å; C41-C75 WeakPolarHBondContact CB-SG 3.43Å; C41-C75 WeakPolarHBondContact SG-CB 3.39Å; C41-C75 PolarHBondContact SG-O 3.25Å; C41-C75 CovalentContact SG-SG 2.04Å; C41-C75 PolarHBondContact SG-SG 2.97Å; N71-C75 VanDerWaalsContact O-CB 3.29Å; N71-C75 WeakPolarHBondContact O-CB 3.22Å; N71-C75 PolarHBondContact O-N 3.38Å; F72-C75 PolarHBondContact O-N 3.38Å; C75-T78 PolarHBondContact O-N 3.39Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.24Å
76A83.2Confident76.8Confident0 Ų059.1 Ų59.10%033%0.333CS..Hα-helixtrans-62.8-45.3-179.500000111.1F38 F72 S74 T78 A79 L80 W91F38-A76 HydrophobicContact CD2-CB 3.84Å; F38-A76 HydrophobicContact CE2-CB 3.88Å; F72-A76 HydrophobicContact CE2-CB 4.19Å; F72-A76 HydrophobicContact CZ-CB 4.17Å; F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.22Å; F72-A76 PolarHBondContact O-N 3.39Å; S74-A76 PolarHBondContact O-N 2.84Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 2.99Å; A76-A79 PolarHBondContact O-N 2.89Å; A76-L80 HydrophobicContact CB-CD1 4.48Å; A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CD1 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 3.5Å; A76-W91 HydrophobicContact CB-CH2 4.34Å; A76-W91 HydrophobicContact CB-CZ2 4.21Å
77T75.3Confident75.8Confident39 Ų3959.7 Ų59.724%0.23934%0.339CS..Hα-helixtrans-63.8-39.3-179.8-54.10000111.5H73 S74 A81H73-T77 WeakPolarHBondContact O-CB 3.47Å; H73-T77 PolarHBondContact O-N 3.34Å; H73-T77 PolarHBondContact O-OG1 3.26Å; S74-T77 PolarHBondContact O-N 3.47Å; T77-A81 WeakPolarHBondContact O-CB 3.5Å; T77-A81 PolarHBondContact O-N 3.18Å
78T80.8Confident74.6Confident82 Ų8259.3 Ų59.350%0.50334%0.337SS..Hα-helixtrans-67.3-49.6174.6-60.90000111.6S74 C75 A76 L80 A81S74-T78 PolarHBondContact O-N 3.04Å; S74-T78 PolarHBondContact O-OG1 2.9Å; C75-T78 PolarHBondContact O-N 3.39Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 2.99Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 VanDerWaalsContact O-N 3.1Å; T78-A81 PolarHBondContact O-N 3.4Å
79A79.3Confident73.5Confident14 Ų1463.1 Ų63.112%0.11636%0.36CS..Hα-helixtrans-57.3-30.717900000112.4V34 C75 A76V34-A79 VanDerWaalsContact CG1-O 3.27Å; V34-A79 WeakPolarHBondContact CG1-O 3.5Å; V34-A79 WeakPolarHBondContact CG2-O 3.46Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.24Å; A76-A79 PolarHBondContact O-N 2.89Å
80L71.1Confident72.5Confident22 Ų2266 Ų6612%0.11538%0.378CS..Hα-helixtrans-88.7-19.7-179.6-69.4158000113.7V34 F38 A76 T78 D82 W91V34-L80 HydrophobicContact CG1-CD2 3.61Å; V34-L80 HydrophobicContact CG1-CG 4.27Å; F38-L80 HydrophobicContact CD2-CD1 3.85Å; F38-L80 HydrophobicContact CE2-CD1 4.24Å; A76-L80 HydrophobicContact CB-CD1 4.48Å; A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CD1 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 3.5Å; T78-L80 PolarHBondContact O-N 3.08Å; T78-L80 VanDerWaalsContact O-N 3.1Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-W91 HydrophobicContact CB-CD2 4.43Å; L80-W91 HydrophobicContact CB-CG 4.17Å; L80-W91 HydrophobicContact CD1-CD2 3.28Å; L80-W91 HydrophobicContact CD1-CE3 3.37Å; L80-W91 HydrophobicContact CD1-CG 3.9Å; L80-W91 HydrophobicContact CD1-CH2 3.45Å; L80-W91 VanDerWaalsContact CD1-CH2 3.45Å; L80-W91 HydrophobicContact CD1-CZ2 3.39Å; L80-W91 HydrophobicContact CD1-CZ3 3.43Å; L80-W91 VanDerWaalsContact CD1-CZ3 3.43Å; L80-W91 HydrophobicContact CG-CD2 4.32Å
81A69.4Low71.6Confident61 Ų6163.2 Ų63.250%0.50436%0.36SS..Hα-helixtrans-74.3-19.717600000113T77 T78 C83T77-A81 WeakPolarHBondContact O-CB 3.5Å; T77-A81 PolarHBondContact O-N 3.18Å; T78-A81 PolarHBondContact O-N 3.4Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.48Å
82D64.6Low70.5Confident114 Ų11464.4 Ų64.461%0.6136%0.363SS*.THydrogen-bonded Turntrans-83.54.3-175.6-68.7-26.1000114.4L80L80-D82 VanDerWaalsContact C-N 3.28Å
83C67.3Low69.7Low13 Ų1369.5 Ų69.59%0.08839%0.386CS..SBendtrans-110.2144.2178.4164.70000112.1C31 V34 A81 A87C31-C83 HydrophobicContact CB-CB 4.04Å; C31-C83 WeakPolarHBondContact CB-SG 3.18Å; C31-C83 WeakPolarHBondContact SG-CB 3.14Å; C31-C83 CovalentContact SG-SG 2.04Å; C31-C83 PolarHBondContact SG-SG 2.94Å; V34-C83 HydrophobicContact CB-CB 4.24Å; V34-C83 HydrophobicContact CG1-CB 4.45Å; V34-C83 HydrophobicContact CG2-CB 3.46Å; V34-C83 VanDerWaalsContact CG2-CB 3.46Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.48Å; C83-A87 HydrophobicContact CB-CB 4.12Å; C83-A87 WeakPolarHBondContact SG-CB 3.26Å
84Q54.3Low68.8Low133 Ų13372.2 Ų72.262%0.62140%0.401SS*.  trans-58.5159.8-171.1-165.2147.7-15.200114.6G86 A87Q84-G86 PolarHBondContact O-N 3.19Å; Q84-G86 VanDerWaalsContact O-N 3.08Å; Q84-A87 PolarHBondContact O-N 2.9Å
85E51.6Low67.8Low201 Ų20170.6 Ų70.694%0.93939%0.385SS*.THydrogen-bonded Turntrans-36.6104.7-175-149174.9-150.800113.7
86G54.9Low67Low35 Ų3575.7 Ų75.736%0.36140%0.402SS..THydrogen-bonded Turntrans137.7-40.4177.500000114.3Q84 D89 L90Q84-G86 PolarHBondContact O-N 3.19Å; Q84-G86 VanDerWaalsContact O-N 3.08Å; G86-D89 PolarHBondContact O-N 2.94Å; G86-L90 PolarHBondContact O-N 3.29Å; G86-L90 VanDerWaalsContact O-N 3.14Å
87A63.2Low66.1Low33 Ų3380.7 Ų80.727%0.27343%0.425SS..Hα-helixtrans-68.8-37.9176.100000112C83 Q84 D89 L90 W91C83-A87 HydrophobicContact CB-CB 4.12Å; C83-A87 WeakPolarHBondContact SG-CB 3.26Å; Q84-A87 PolarHBondContact O-N 2.9Å; A87-D89 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 3.48Å; A87-W91 WeakPolarHBondContact O-CB 3.5Å; A87-W91 PolarHBondContact O-N 3.01Å
88T61.6Low65.5Low56 Ų5681.5 Ų81.534%0.34443%0.433SS..Hα-helixtrans-63.2-39174.9-46.30000112.3W91 E92T88-W91 PolarHBondContact O-N 3.12Å; T88-E92 WeakPolarHBondContact O-CB 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.21Å; T88-E92 PolarHBondContact O-N 2.89Å
89D63.8Low64.6Low118 Ų11884 Ų8463%0.63143%0.433SS*.Hα-helixtrans-67.5-44.7177.2-176.575.6000111.4G86 A87 W91 E92 K93G86-D89 PolarHBondContact O-N 2.94Å; A87-D89 PolarHBondContact O-N 3.37Å; D89-W91 VanDerWaalsContact C-N 3.34Å; D89-W91 PolarHBondContact O-N 3.34Å; D89-E92 PolarHBondContact O-N 3.47Å; D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.43Å
90L65.6Low63.8Low111 Ų11188.9 Ų88.958%0.58146%0.457SS*.Hα-helixtrans-60.4-42172.7-93.7143.1000112G86 A87 K93 L94G86-L90 PolarHBondContact O-N 3.29Å; G86-L90 VanDerWaalsContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.48Å; L90-K93 PolarHBondContact O-N 3.41Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.31Å; L90-L94 PolarHBondContact O-N 2.88Å
91W66.2Low63.2Low46 Ų4692.4 Ų92.417%0.17448%0.475CS..Hα-helixtrans-65.1-46.1175.7176.6-116.1000112.4F38 A76 L80 A87 T88 D89 K93 L94 K95F38-W91 AromaticContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CH2 3.87Å; F38-W91 HydrophobicContact CE2-CZ3 4.13Å; A76-W91 HydrophobicContact CB-CH2 4.34Å; A76-W91 HydrophobicContact CB-CZ2 4.21Å; L80-W91 HydrophobicContact CB-CD2 4.43Å; L80-W91 HydrophobicContact CB-CG 4.17Å; L80-W91 HydrophobicContact CD1-CD2 3.28Å; L80-W91 HydrophobicContact CD1-CE3 3.37Å; L80-W91 HydrophobicContact CD1-CG 3.9Å; L80-W91 HydrophobicContact CD1-CH2 3.45Å; L80-W91 VanDerWaalsContact CD1-CH2 3.45Å; L80-W91 HydrophobicContact CD1-CZ2 3.39Å; L80-W91 HydrophobicContact CD1-CZ3 3.43Å; L80-W91 VanDerWaalsContact CD1-CZ3 3.43Å; L80-W91 HydrophobicContact CG-CD2 4.32Å; A87-W91 WeakPolarHBondContact O-CB 3.5Å; A87-W91 PolarHBondContact O-N 3.01Å; T88-W91 PolarHBondContact O-N 3.12Å; D89-W91 VanDerWaalsContact C-N 3.34Å; D89-W91 PolarHBondContact O-N 3.34Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 2.94Å; W91-L94 PolarHBondContact O-N 3.32Å; W91-K95 VanDerWaalsContact O-CB 3.27Å; W91-K95 WeakPolarHBondContact O-CB 2.99Å; W91-K95 PolarHBondContact O-N 3.44Å
92E65.4Low62.3Low84 Ų8497.1 Ų97.139%0.39349%0.492SS..Hα-helixtrans-64.7-34.1177.8-76.8-61.5141.200111.7T88 D89 K95 K96T88-E92 WeakPolarHBondContact O-CB 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.21Å; T88-E92 PolarHBondContact O-N 2.89Å; D89-E92 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.84Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.4Å; E92-K95 PolarHBondContact OE2-NZ 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.38Å; E92-K96 PolarHBondContact O-N 2.96Å
93K71.3Confident61.6Low132 Ų13298.4 Ų98.457%0.57449%0.493SS*.Hα-helixtrans-66.6-46.7170.9-168.5175.3-177.8179.90112.1D89 L90 W91 K95 K96 E97D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.43Å; L90-K93 PolarHBondContact O-N 3.41Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 2.94Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 2.94Å; K93-K96 WeakPolarHBondContact O-CB 3.47Å; K93-K96 PolarHBondContact O-N 3.41Å; K93-E97 WeakPolarHBondContact O-CG 2.89Å; K93-E97 PolarHBondContact O-N 3.12Å
94L64.6Low60.6Low106 Ų106109.1 Ų109.156%0.55553%0.531SS*.Hα-helixtrans-60.9-40.3175.6-77.3167.1000112L90 W91 E97 S98L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.31Å; L90-L94 PolarHBondContact O-N 2.88Å; W91-L94 PolarHBondContact O-N 3.32Å; L94-E97 PolarHBondContact O-N 3.14Å; L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.03Å; L94-S98 PolarHBondContact O-N 3.06Å
95K65.1Low60.7Low37 Ų37105.2 Ų105.216%0.16153%0.526CS..Hα-helixtrans-61.6-49.6173.5179.6175.4167.8-167.30110.3W91 E92 K93 E97 S98 R99W91-K95 VanDerWaalsContact O-CB 3.27Å; W91-K95 WeakPolarHBondContact O-CB 2.99Å; W91-K95 PolarHBondContact O-N 3.44Å; E92-K95 IonicContact OE1-NZ 2.84Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.4Å; E92-K95 PolarHBondContact OE2-NZ 3.3Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 2.94Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 3.07Å; K95-S98 PolarHBondContact O-N 2.72Å; K95-R99 VanDerWaalsContact CE-NH2 3.29Å; K95-R99 VanDerWaalsContact O-CG 3.22Å; K95-R99 WeakPolarHBondContact O-CG 3.15Å; K95-R99 PolarHBondContact O-N 2.93Å
96K67.6Low61.3Low152 Ų15297.3 Ų97.366%0.66149%0.493SS*.Hα-helixtrans-56.7-44.2176.1-176.7179.4179.1-179.60112.2E92 K93 R99 N100E92-K96 WeakPolarHBondContact O-CB 3.38Å; E92-K96 PolarHBondContact O-N 2.96Å; K93-K96 WeakPolarHBondContact O-CB 3.47Å; K93-K96 PolarHBondContact O-N 3.41Å; K96-R99 PolarHBondContact O-N 2.96Å; K96-N100 PolarHBondContact O-N 2.92Å
97E65.9Low62Low105 Ų10598.3 Ų98.349%0.49149%0.49SS..Hα-helixtrans-66.4-43.5175.7-70.6-59.915300111.7K93 L94 K95 R99 N100 L101K93-E97 WeakPolarHBondContact O-CG 2.89Å; K93-E97 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 3.14Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 3.07Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3Å; E97-N100 CarbonylContact O-C 3.46Å; E97-N100 WeakPolarHBondContact O-CA 3.21Å; E97-N100 WeakPolarHBondContact O-CB 3.1Å; E97-N100 PolarHBondContact O-N 3.42Å; E97-L101 PolarHBondContact O-N 2.94Å
98S62.8Low62Low56 Ų5699.5 Ų99.539%0.39249%0.489SS..Hα-helixtrans-59.8-34.9175.7-1800000112.6L94 K95 N100 L101L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.03Å; L94-S98 PolarHBondContact O-N 3.06Å; K95-S98 PolarHBondContact O-N 2.72Å; S98-N100 VanDerWaalsContact C-N 3.26Å; S98-N100 PolarHBondContact O-N 2.04Å; S98-L101 PolarHBondContact O-N 3.48Å
99R60.4Low62.2Low136 Ų136102.3 Ų102.351%0.51350%0.499SS..Hα-helixtrans-69-25.1174.2-66.7-171.9177-171.5-4.6113K95 K96 E97 F108K95-R99 VanDerWaalsContact CE-NH2 3.29Å; K95-R99 VanDerWaalsContact O-CG 3.22Å; K95-R99 WeakPolarHBondContact O-CG 3.15Å; K95-R99 PolarHBondContact O-N 2.93Å; K96-R99 PolarHBondContact O-N 2.96Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3Å; R99-F108 HydrophobicContact CB-CE1 3.98Å; R99-F108 HydrophobicContact CB-CZ 4.13Å; R99-F108 HydrophobicContact CG-CD1 4.48Å; R99-F108 HydrophobicContact CG-CE1 3.69Å; R99-F108 HydrophobicContact CG-CE2 3.77Å; R99-F108 HydrophobicContact CG-CZ 3.32Å
100N63.4Low62.4Low115 Ų115101 Ų10162%0.61549%0.491SS*.Hα-helixtrans-88.7-8.5179.6-167.346.4000112.5K96 E97 S98 N102K96-N100 PolarHBondContact O-N 2.92Å; E97-N100 CarbonylContact O-C 3.46Å; E97-N100 WeakPolarHBondContact O-CA 3.21Å; E97-N100 WeakPolarHBondContact O-CB 3.1Å; E97-N100 PolarHBondContact O-N 3.42Å; S98-N100 VanDerWaalsContact C-N 3.26Å; S98-N100 PolarHBondContact O-N 2.04Å; N100-N102 PolarHBondContact O-N 3.28Å; N100-N102 VanDerWaalsContact O-N 3.08Å
101L59Low62.8Low96 Ų9696.6 Ų96.650%0.50347%0.469SS..  trans-69.3107.5176-66.9175.5000110E97 S98 F103E97-L101 PolarHBondContact O-N 2.94Å; S98-L101 PolarHBondContact O-N 3.48Å; L101-F103 HydrophobicContact CB-CD2 4.03Å; L101-F103 PolarHBondContact O-N 3.42Å
102N50.8Low62.5Low161 Ų16196.3 Ų96.386%0.86148%0.481SS*.  trans-75.950.2-179.9-125.5-58.4000112N100 R104N100-N102 PolarHBondContact O-N 3.28Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N102-R104 PolarHBondContact O-N 2.82Å
103F48.7Very low62.2Low140 Ų14093.1 Ų93.161%0.61447%0.47SS*.  trans-84.5107173.4-83.6-75.4000109.8L101 G105 S106L101-F103 HydrophobicContact CB-CD2 4.03Å; L101-F103 PolarHBondContact O-N 3.42Å; F103-G105 PolarHBondContact O-N 3.39Å; F103-S106 PolarHBondContact O-N 3.34Å; F103-S106 VanDerWaalsContact O-N 3.14Å; F103-S106 PolarHBondContact O-OG 3.19Å
104R46.5Very low61.4Low239 Ų23990.4 Ų90.490%0.90248%0.479SS*.THydrogen-bonded Turntrans-54.6111.4168.5-69.1-175.6177.3-163-1108.8N102N102-R104 PolarHBondContact O-N 2.82Å
105G56.5Low60.7Low50 Ų5092.3 Ų92.352%0.51549%0.49SS..THydrogen-bonded Turntrans93.917.6178.400000116F103 E109F103-G105 PolarHBondContact O-N 3.39Å; G105-E109 PolarHBondContact N-OE2 3.44Å
106S64.8Low59.9Low35 Ų3593.1 Ų93.125%0.24551%0.509CS..  trans-69.3149.2170.167.30000111.9F103 F108 E109 L110F103-S106 PolarHBondContact O-N 3.34Å; F103-S106 VanDerWaalsContact O-N 3.14Å; F103-S106 PolarHBondContact O-OG 3.19Å; S106-F108 PolarHBondContact O-N 3.13Å; S106-F108 VanDerWaalsContact O-N 3.12Å; S106-E109 WeakPolarHBondContact O-CB 3.35Å; S106-E109 PolarHBondContact O-N 3.26Å; S106-E109 PolarHBondContact OG-N 2.96Å; S106-L110 WeakPolarHBondContact O-CG 3.03Å; S106-L110 PolarHBondContact O-N 2.96Å
107L69.4Low58.6Low57 Ų5790 Ų9030%0.29851%0.506SS..Hα-helixtrans-54.4-30.6172.8-75.7157.2000111.9I65 W69 C111I65-L107 HydrophobicContact CG2-CD2 3.26Å; W69-L107 HydrophobicContact CB-CD2 4.35Å; W69-L107 HydrophobicContact CD2-CB 3.68Å; W69-L107 HydrophobicContact CD2-CD1 4.35Å; W69-L107 HydrophobicContact CD2-CG 4.46Å; W69-L107 HydrophobicContact CE3-CB 3.8Å; W69-L107 HydrophobicContact CE3-CD1 3.67Å; W69-L107 HydrophobicContact CE3-CG 4.25Å; W69-L107 HydrophobicContact CG-CB 4.1Å; W69-L107 HydrophobicContact CH2-CB 4.44Å; W69-L107 HydrophobicContact CZ2-CB 4.36Å; W69-L107 HydrophobicContact CZ3-CB 4.18Å; W69-L107 HydrophobicContact CZ3-CD1 4Å; L107-C111 WeakPolarHBondContact O-CA 3.44Å; L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.39Å
108F62.9Low57.6Low57 Ų5789.8 Ų89.825%0.2551%0.514CS..Hα-helixtrans-64.6-38.5174.6-165.6-93.2000112.6R99 S106 G112R99-F108 HydrophobicContact CB-CE1 3.98Å; R99-F108 HydrophobicContact CB-CZ 4.13Å; R99-F108 HydrophobicContact CG-CD1 4.48Å; R99-F108 HydrophobicContact CG-CE1 3.69Å; R99-F108 HydrophobicContact CG-CE2 3.77Å; R99-F108 HydrophobicContact CG-CZ 3.32Å; S106-F108 PolarHBondContact O-N 3.13Å; S106-F108 VanDerWaalsContact O-N 3.12Å; F108-G112 WeakPolarHBondContact O-CA 3.48Å; F108-G112 PolarHBondContact O-N 3.29Å
109E66.4Low57Low116 Ų11693.7 Ų93.754%0.54252%0.52SS..Hα-helixtrans-75.4-44.3175.7-168.7-174.4172.600111.7G105 S106 C111G105-E109 PolarHBondContact N-OE2 3.44Å; S106-E109 WeakPolarHBondContact O-CB 3.35Å; S106-E109 PolarHBondContact O-N 3.26Å; S106-E109 PolarHBondContact OG-N 2.96Å; E109-C111 PolarHBondContact O-N 3.15Å
110L67.9Low56.6Low90 Ų9092.2 Ų92.247%0.47153%0.53SS..Hα-helixtrans-67.9-34.5-177-66.5172.2000112.5S106S106-L110 WeakPolarHBondContact O-CG 3.03Å; S106-L110 PolarHBondContact O-N 2.96Å
111C72.6Confident56Low19 Ų1990.2 Ų90.213%0.12853%0.53CS..Hα-helixtrans-119.9-1.7-172-52.70000113.9C66 W69 L107 E109 G113C66-C111 WeakPolarHBondContact CA-SG 3.42Å; C66-C111 HydrophobicContact CB-CB 3.58Å; C66-C111 WeakPolarHBondContact CB-SG 3.45Å; C66-C111 VanDerWaalsContact SG-CA 3.51Å; C66-C111 WeakPolarHBondContact SG-CB 3.27Å; C66-C111 CovalentContact SG-SG 2.04Å; C66-C111 PolarHBondContact SG-SG 2.83Å; W69-C111 HydrophobicContact CG-CB 4.43Å; L107-C111 WeakPolarHBondContact O-CA 3.44Å; L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.39Å; E109-C111 PolarHBondContact O-N 3.15Å; C111-G113 PolarHBondContact O-N 3.09Å
112G61Low55.6Low40 Ų4094.4 Ų94.441%0.41254%0.539SS..SBendtrans-7111.3-178.100000115.7F108 R119F108-G112 WeakPolarHBondContact O-CA 3.48Å; F108-G112 PolarHBondContact O-N 3.29Å; G112-R119 PolarHBondContact O-NH1 2.94Å
113G58.2Low55.5Low16 Ų1689 Ų8917%0.16552%0.522CS..SBendtrans-131.9105.6164.800000107.7C111 N115 R119C111-G113 PolarHBondContact O-N 3.09Å; G113-N115 CarbonylContact O-C 3.59Å; G113-N115 PolarHBondContact O-N 3.04Å; G113-N115 VanDerWaalsContact O-O 3.13Å; G113-R119 VanDerWaalsContact CA-NH2 3.33Å
114G55Low55.6Low75 Ų7587.8 Ų87.877%0.77352%0.521SS*.SBendtrans-44.4127.5171.100000109.7
115N49.6Very low55.5Low147 Ų14778.3 Ų78.379%0.78650%0.497SS*.SBendtrans83.7105-163.7-53.9-17.4000113G113 S117G113-N115 CarbonylContact O-C 3.59Å; G113-N115 PolarHBondContact O-N 3.04Å; G113-N115 VanDerWaalsContact O-O 3.13Å; N115-S117 PolarHBondContact O-N 2.93Å
116G48.8Very low55.2Low53 Ų5382.4 Ų82.455%0.54651%0.507SS..  trans-54.464.5176.700000114.9
117S39.7Very low54.6Low86 Ų8686.1 Ų86.160%0.60152%0.523SS*.  trans-98.2114.7168.7-173.50000106.2N115 R119N115-S117 PolarHBondContact O-N 2.93Å; S117-R119 PolarHBondContact O-N 2.62Å
118P44.7Very low53.8Low101 Ų10188.9 Ų88.966%0.65654%0.538SS*.  trans-58.8112.6172.723.8-30000107.2S120P118-S120 PolarHBondContact O-N 3.09Å
119R51.5Low53.4Low139 Ų13991.2 Ų91.253%0.52556%0.557SS.*THydrogen-bonded Turntrans-65.58.8176.8-80.9-169.4177104.5-6.5113.6G112 G113 S117 A121 R122G112-R119 PolarHBondContact O-NH1 2.94Å; G113-R119 VanDerWaalsContact CA-NH2 3.33Å; S117-R119 PolarHBondContact O-N 2.62Å; R119-A121 PolarHBondContact O-N 3.29Å; R119-A121 VanDerWaalsContact O-N 3.09Å; R119-R122 PolarHBondContact O-N 2.86Å
120S52.3Low52.7Low104 Ų10488.1 Ų88.173%0.72755%0.551SS**THydrogen-bonded Turntrans-63.6-10.1176.2-165.90000114.6P118P118-S120 PolarHBondContact O-N 3.09Å
121A48.8Very low52.1Low74 Ų7489 Ų8961%0.61256%0.556SS**Hα-helixtrans-88.4-16.4177.800000114.5R119 G125R119-A121 PolarHBondContact O-N 3.29Å; R119-A121 VanDerWaalsContact O-N 3.09Å; A121-G125 PolarHBondContact O-N 3.29Å
122R51.4Low51.3Low184 Ų18492.1 Ų92.169%0.69458%0.576SS**Hα-helixtrans-80.6-24.7-175.5-72-173.7176.8-177.1-1.3113.9R119R119-R122 PolarHBondContact O-N 2.86Å
123G48Very low51Low48 Ų4894.6 Ų94.650%0.49558%0.583SS.*Hα-helixtrans-77.1-33.9172.600000113.1L127G123-L127 PolarHBondContact O-N 3.48Å
124L50.9Low50.9Low113 Ų11398.2 Ų98.259%0.59260%0.602SS**Hα-helixtrans-75.4-33.7-179.2-153.875.9000112.2L126 L127 L128L124-L126 PolarHBondContact O-N 3.49Å; L124-L127 PolarHBondContact O-N 3.42Å; L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 PolarHBondContact O-N 3.3Å; L124-L128 VanDerWaalsContact O-N 3.13Å
125G45.2Very low50.9Low40 Ų40100.6 Ų100.641%0.41260%0.596SS.*Hα-helixtrans-64.7-34.2176.600000114A121A121-G125 PolarHBondContact O-N 3.29Å
126L50.3Low51.2Low136 Ų13698 Ų9871%0.71259%0.586SS**Hα-helixtrans-74.3-31.2174.7-101.592.9000112.9L124 T129L124-L126 PolarHBondContact O-N 3.49Å; L126-T129 PolarHBondContact O-OG1 3.1Å; L126-T129 VanDerWaalsContact O-OG1 3.1Å
127L52.6Low51.4Low113 Ų113105.9 Ų105.959%0.59260%0.599SS**Hα-helixtrans-71.4-37.4177.7-92.5154.8000112G123 L124 T129 A130 L131G123-L127 PolarHBondContact O-N 3.48Å; L124-L127 PolarHBondContact O-N 3.42Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.29Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-L131 WeakPolarHBondContact O-CD1 3.38Å
128L52.3Low52.1Low116 Ų116108.7 Ų108.761%0.60761%0.607SS**Hα-helixtrans-71.4-23.4-178.9-79.5158.3000113.9L124 A130L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 PolarHBondContact O-N 3.3Å; L124-L128 VanDerWaalsContact O-N 3.13Å; L128-A130 VanDerWaalsContact C-N 3.34Å
129T54.4Low52.5Low105 Ų105107.6 Ų107.664%0.64461%0.607SS**THydrogen-bonded Turntrans-81.6-10.4175.7520000113.9L126 L127L126-T129 PolarHBondContact O-OG1 3.1Å; L126-T129 VanDerWaalsContact O-OG1 3.1Å; L127-T129 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.29Å
130A52.6Low52.5Low52 Ų52113.5 Ų113.543%0.4364%0.636SS.*THydrogen-bonded Turntrans-96.2-13.7-179.100000114.1L127 L128 T133L127-A130 PolarHBondContact O-N 3.13Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-T133 PolarHBondContact O-OG1 3.21Å
131L54.3Low52.5Low107 Ų107114 Ų11456%0.5663%0.632SS**SBendtrans-71.4-31.8179.3-95.392.1000115.9L127 T133 V134L127-L131 WeakPolarHBondContact O-CD1 3.38Å; L131-T133 VanDerWaalsContact C-N 3.26Å; L131-T133 PolarHBondContact O-N 3.45Å; L131-V134 PolarHBondContact O-N 3.39Å
132P56.7Low52.7Low86 Ų86116.1 Ų116.156%0.55863%0.633SS**THydrogen-bonded Turntrans-68.5-24.6-175.9-18.630.3000113.7
133T53.9Low52.8Low91 Ų91112.3 Ų112.356%0.55863%0.63SS**THydrogen-bonded Turntrans-84.7-12.9-176.246.20000113.9A130 L131 T136 W137A130-T133 PolarHBondContact O-OG1 3.21Å; L131-T133 VanDerWaalsContact C-N 3.26Å; L131-T133 PolarHBondContact O-N 3.45Å; T133-T136 PolarHBondContact O-OG1 3.28Å; T133-W137 VanDerWaalsContact O-CD1 3.23Å
134V56.2Low53.1Low93 Ų93116.1 Ų116.156%0.56464%0.638SS**THydrogen-bonded Turntrans-86.8-30.9177.9179.70000111.5L131 T136 W137L131-V134 PolarHBondContact O-N 3.39Å; V134-T136 VanDerWaalsContact C-N 3.31Å; V134-T136 PolarHBondContact O-N 3.37Å; V134-W137 PolarHBondContact O-N 3.32Å
135L55.6Low53.2Low125 Ų125116.3 Ų116.365%0.65464%0.64SS**THydrogen-bonded Turntrans-73.9-16.7-177.4-78.4164.2000114.3
136T55.9Low53.8Low93 Ų93121.3 Ų121.357%0.57166%0.656SS**THydrogen-bonded Turntrans-81-15.7175.540.60000114T133 V134T133-T136 PolarHBondContact O-OG1 3.28Å; V134-T136 VanDerWaalsContact C-N 3.31Å; V134-T136 PolarHBondContact O-N 3.37Å
137W52.9Low54Low217 Ų217120.3 Ų120.382%0.82265%0.652SS**SBendtrans-90.8-12.1177.3-68.589.6000114T133 V134T133-W137 VanDerWaalsContact O-CD1 3.23Å; V134-W137 PolarHBondContact O-N 3.32Å
138L54.1Low54.1Low145 Ų145120.8 Ų120.876%0.75966%0.656SS**SBendtrans-91.33177.4-80.9163.6000113.4
139A53.2Low54.3Low79 Ų79121.3 Ų121.365%0.65366%0.66SS**  trans-110.113-177.700000114.2
140F51.3Low54.2Low262 Ų262122.7 Ų122.7100%1.14966%0.662SS**  trans-129.80172.5-83.8-84.2000111.6

Retrieved 140 of 140 residues in 34.7 ms (Link to these results)