A0A077ZKK9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.8Low78.1Confident229 Ų229117 Ų117100%1.12865%0.646SS**  09.30-63.7-178.3116.700112.6
2S64.2Low79.1Confident86 Ų86114.3 Ų114.360%0.60164%0.636SS**  trans-85.8-27.7-171.5-490000114.8S4 S5 Q6S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.41Å; S2-S5 PolarHBondContact O-N 3.32Å; S2-Q6 PolarHBondContact O-N 3.37Å
3D70.2Confident80Confident127 Ų127109.9 Ų109.968%0.67962%0.623SS**Hα-helixtrans-63.6-35.4-178.2-68.3-77.4000113.9S5 Q6 M7D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.12Å; D3-Q6 PolarHBondContact O-N 3.01Å; D3-M7 PolarHBondContact O-N 3.27Å; D3-M7 VanDerWaalsContact O-N 3.12Å
4S75.5Confident80.8Confident98 Ų98108.6 Ų108.669%0.68561%0.613SS**Hα-helixtrans-68.5-30.4-178.2-168.70000112.5S2 A8S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.41Å; S4-A8 PolarHBondContact O-N 3.44Å
5S81Confident81.5Confident79 Ų79104.2 Ų104.255%0.55259%0.592SS**Hα-helixtrans-76.8-39.5179.2-155.20000111.2S2 D3 A8 E9S2-S5 PolarHBondContact O-N 3.32Å; D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.12Å; S5-A8 PolarHBondContact O-N 3.38Å; S5-E9 PolarHBondContact O-N 3.37Å
6Q82.2Confident82.1Confident123 Ų123105.4 Ų105.458%0.57559%0.591SS**Hα-helixtrans-66.1-39.2177.5-69.4-176.4-1300112.4S2 D3 A8 E9 L10S2-Q6 PolarHBondContact O-N 3.37Å; D3-Q6 PolarHBondContact O-N 3.01Å; Q6-A8 VanDerWaalsContact C-N 3.33Å; Q6-A8 PolarHBondContact O-N 2.87Å; Q6-E9 PolarHBondContact O-N 3.46Å; Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 PolarHBondContact O-N 2.94Å
7M82.1Confident82.8Confident122 Ų122106 Ų10660%0.60159%0.588SS**Hα-helixtrans-63.4-38173.9-80.7-92.4-78.600112.3D3 L10 L11D3-M7 PolarHBondContact O-N 3.27Å; D3-M7 VanDerWaalsContact O-N 3.12Å; M7-L10 PolarHBondContact O-N 3.42Å; M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CG 3.49Å; M7-L11 PolarHBondContact O-N 3.4Å
8A85.9Confident83.3Confident50 Ų50107.2 Ų107.241%0.41359%0.588SS.*Hα-helixtrans-66.9-41.9175.500000111.7S4 S5 Q6 L11 T12S4-A8 PolarHBondContact O-N 3.44Å; S5-A8 PolarHBondContact O-N 3.38Å; Q6-A8 VanDerWaalsContact C-N 3.33Å; Q6-A8 PolarHBondContact O-N 2.87Å; A8-L11 PolarHBondContact O-N 3.35Å; A8-T12 WeakPolarHBondContact O-CB 3.43Å; A8-T12 PolarHBondContact O-N 2.71Å; A8-T12 PolarHBondContact O-OG1 2.97Å
9E86.1Confident83.7Confident137 Ų137111.2 Ų111.264%0.6459%0.594SS**Hα-helixtrans-60.7-44171.6-90.8175.3155.300112S5 Q6 L11 T12 A13S5-E9 PolarHBondContact O-N 3.37Å; Q6-E9 PolarHBondContact O-N 3.46Å; E9-L11 PolarHBondContact O-N 3.48Å; E9-T12 PolarHBondContact O-N 2.97Å; E9-A13 WeakPolarHBondContact O-CB 3.39Å; E9-A13 PolarHBondContact O-N 3.47Å
10L87.7Confident84.1Confident123 Ų123109.5 Ų109.564%0.64459%0.588SS**Hα-helixtrans-62.1-43.6178.6-162.695000111.9Q6 M7 T12 A13 L14Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 PolarHBondContact O-N 2.94Å; M7-L10 PolarHBondContact O-N 3.42Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-A13 PolarHBondContact O-N 2.75Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3Å
11L87.9Confident84.4Confident113 Ų113109.4 Ų109.459%0.59259%0.585SS**Hα-helixtrans-65.2-38.9176-74.9170.9000111.9M7 A8 E9 L14 S15M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CG 3.49Å; M7-L11 PolarHBondContact O-N 3.4Å; A8-L11 PolarHBondContact O-N 3.35Å; E9-L11 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.48Å
12T90.1Very high86Confident85 Ų85101.2 Ų101.252%0.52155%0.554SS.*Hα-helixtrans-65.3-48.1177.4-52.50000110.2A8 E9 L10 L14 S15 E16A8-T12 WeakPolarHBondContact O-CB 3.43Å; A8-T12 PolarHBondContact O-N 2.71Å; A8-T12 PolarHBondContact O-OG1 2.97Å; E9-T12 PolarHBondContact O-N 2.97Å; L10-T12 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 3.03Å; T12-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-OG 2.85Å; T12-E16 PolarHBondContact O-N 3.23Å
13A90.8Very high87.3Confident57 Ų57100 Ų10047%0.47155%0.55SS..Hα-helixtrans-59.8-42.5176.900000112.2E9 L10 S15 E16 Q17E9-A13 WeakPolarHBondContact O-CB 3.39Å; E9-A13 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 2.75Å; A13-S15 PolarHBondContact O-N 3.44Å; A13-E16 PolarHBondContact O-N 3.02Å; A13-Q17 PolarHBondContact O-N 3.23Å
14L92.3Very high88.3Confident91 Ų9199.2 Ų99.248%0.47655%0.545SS..Hα-helixtrans-64.8-41.1177.5-174.864.6000112L10 L11 T12 E16 Q17 Q18L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.23Å; T12-L14 PolarHBondContact O-N 3.03Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.38Å; L14-Q17 PolarHBondContact O-N 3.48Å; L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.09Å
15S91.4Very high88.9Confident43 Ų43100 Ų10030%0.30154%0.54SS..Hα-helixtrans-65.6-35.8177.278.80000112.3L11 T12 A13 Q18 R19L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-OG 2.85Å; A13-S15 PolarHBondContact O-N 3.44Å; S15-Q18 PolarHBondContact O-N 3.5Å; S15-R19 PolarHBondContact O-N 3.37Å; S15-R19 VanDerWaalsContact O-N 3.09Å
16E91.2Very high89.1Confident123 Ų12398.5 Ų98.558%0.57553%0.532SS*.Hα-helixtrans-70.1-39.9177.1-170.1169.5-171.700111.4T12 A13 L14 Q18 R19 T20T12-E16 PolarHBondContact O-N 3.23Å; A13-E16 PolarHBondContact O-N 3.02Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.38Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.91Å; E16-R19 PolarHBondContact O-N 2.95Å; E16-T20 PolarHBondContact O-N 3.01Å; E16-T20 PolarHBondContact O-OG1 3.44Å
17Q93.7Very high89.3Confident116 Ų11695.1 Ų95.154%0.54252%0.522SS..Hα-helixtrans-61.1-40.1172.3-170.7-179.1-46.900111.8A13 L14 T20 M21A13-Q17 PolarHBondContact O-N 3.23Å; L14-Q17 PolarHBondContact O-N 3.48Å; Q17-T20 VanDerWaalsContact CA-OG1 3.28Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q17-T20 PolarHBondContact O-N 3.32Å; Q17-T20 PolarHBondContact O-OG1 2.9Å; Q17-M21 WeakPolarHBondContact O-CG 3.43Å; Q17-M21 PolarHBondContact O-N 3.32Å
18Q91.5Very high89.4Confident127 Ų12794.9 Ų94.959%0.59352%0.523SS*.Hα-helixtrans-64.6-40.1175.5-74.7-178.1-14.900112.3L14 S15 E16 M21 A22L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.09Å; S15-Q18 PolarHBondContact O-N 3.5Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.91Å; Q18-M21 PolarHBondContact O-N 2.97Å; Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 2.91Å
19R91.3Very high89.1Confident183 Ų18395.4 Ų95.469%0.69152%0.524SS*.Hα-helixtrans-65-41.5176.4-75-170.3-168.4118.52.6112.5S15 E16 A22 A23S15-R19 PolarHBondContact O-N 3.37Å; S15-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 PolarHBondContact O-N 2.95Å; R19-A22 PolarHBondContact O-N 3.03Å; R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.46Å
20T90.6Very high88.3Confident78 Ų7894.5 Ų94.548%0.47952%0.52SS..Hα-helixtrans-65.1-42177.634.70000111.4E16 Q17 A22 A23 L24E16-T20 PolarHBondContact O-N 3.01Å; E16-T20 PolarHBondContact O-OG1 3.44Å; Q17-T20 VanDerWaalsContact CA-OG1 3.28Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q17-T20 PolarHBondContact O-N 3.32Å; Q17-T20 PolarHBondContact O-OG1 2.9Å; T20-A22 PolarHBondContact O-N 3.04Å; T20-A23 PolarHBondContact O-N 3.34Å; T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.5Å
21M90.2Very high87Confident107 Ų10793.1 Ų93.153%0.52751%0.513SS..Hα-helixtrans-60.8-44.7172.3-74.4-175.269.100112.4Q17 Q18 A23 L24 I25Q17-M21 WeakPolarHBondContact O-CG 3.43Å; Q17-M21 PolarHBondContact O-N 3.32Å; Q18-M21 PolarHBondContact O-N 2.97Å; M21-A23 VanDerWaalsContact C-N 3.34Å; M21-A23 PolarHBondContact O-N 3.21Å; M21-L24 PolarHBondContact O-N 3.05Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.46Å
22A91Very high85.6Confident57 Ų5792.6 Ų92.647%0.47152%0.519SS..Hα-helixtrans-63.1-39.3177.800000112.4Q18 R19 T20 I25 A26Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 2.91Å; R19-A22 PolarHBondContact O-N 3.03Å; T20-A22 PolarHBondContact O-N 3.04Å; A22-I25 PolarHBondContact O-N 2.9Å; A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.88Å
23A90.6Very high83.9Confident62 Ų6295.1 Ų95.151%0.51253%0.528SS..Hα-helixtrans-65.2-40.5176.800000112.1R19 T20 M21 A26 S27R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.46Å; T20-A23 PolarHBondContact O-N 3.34Å; M21-A23 VanDerWaalsContact C-N 3.34Å; M21-A23 PolarHBondContact O-N 3.21Å; A23-A26 PolarHBondContact O-N 3.44Å; A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.43Å; A23-S27 PolarHBondContact O-OG 3.37Å
24L91.5Very high82Confident110 Ų110102.2 Ų102.258%0.57654%0.543SS*.Hα-helixtrans-64.1-45.5175.2-71.4173.1000111.5T20 M21 A26 S27 L28T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.5Å; M21-L24 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.33Å; L24-S27 WeakPolarHBondContact CA-OG 3.33Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 2.76Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.38Å
25I86.7Confident79.7Confident113 Ų113104.8 Ų104.858%0.57955%0.552SS**Hα-helixtrans-60.7-43.6175.5-65.9166.2000110.8M21 A22 S27 L28 S29M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.46Å; A22-I25 PolarHBondContact O-N 2.9Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.41Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 3.48Å
26A87.1Confident77.2Confident48 Ų48106.4 Ų106.440%0.39757%0.568SS.*Hα-helixtrans-62.3-41.7176.600000111.6A22 A23 L24 S29 Q30A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.88Å; A23-A26 PolarHBondContact O-N 3.44Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.33Å; A26-S29 PolarHBondContact O-N 2.85Å; A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.28Å; A26-Q30 PolarHBondContact O-N 2.73Å
27S86Confident75Confident53 Ų53104.4 Ų104.437%0.37157%0.566SS.*Hα-helixtrans-67.1-40176.570.20000112.8A23 L24 I25 Q30 N31A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.43Å; A23-S27 PolarHBondContact O-OG 3.37Å; L24-S27 WeakPolarHBondContact CA-OG 3.33Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 2.76Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.41Å; S27-Q30 PolarHBondContact O-N 3.48Å; S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 PolarHBondContact O-N 2.89Å
28L83.4Confident72.5Confident116 Ų116105.2 Ų105.261%0.60758%0.579SS**Hα-helixtrans-66.5-41.3176.5-74.1163000110.9L24 I25 N31 S32L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.38Å; I25-L28 PolarHBondContact O-N 3.38Å; L28-N31 PolarHBondContact O-N 2.88Å; L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.76Å; L28-S32 PolarHBondContact O-OG 2.84Å
29S79.5Confident70.1Confident62 Ų62103.2 Ų103.243%0.43458%0.579SS.*Hα-helixtrans-64.4-44.7174.4-174.60000111.3I25 A26 N31 S32 L33I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 3.48Å; A26-S29 PolarHBondContact O-N 2.85Å; S29-N31 VanDerWaalsContact C-N 3.34Å; S29-N31 PolarHBondContact O-N 3.15Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.44Å
30Q69.9Low68Low118 Ų118103.3 Ų103.355%0.55159%0.585SS**Hα-helixtrans-65.3-34.7174.5-74.8-17610.200112.5A26 S27 L33 R34A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.28Å; A26-Q30 PolarHBondContact O-N 2.73Å; S27-Q30 PolarHBondContact O-N 3.48Å; Q30-L33 CarbonylContact O-C 3.54Å; Q30-L33 PolarHBondContact O-N 3.33Å; Q30-R34 WeakPolarHBondContact O-CB 3.17Å; Q30-R34 VanDerWaalsContact O-CG 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 2.8Å
31N61.1Low66.2Low94 Ų94102.2 Ų102.250%0.50358%0.583SS.*Hα-helixtrans-70-42.3173.4-104.449.4000111.3S27 L28 S29 L33 R34 E35S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 PolarHBondContact O-N 2.89Å; L28-N31 PolarHBondContact O-N 2.88Å; S29-N31 VanDerWaalsContact C-N 3.34Å; S29-N31 PolarHBondContact O-N 3.15Å; N31-L33 PolarHBondContact O-N 3.33Å; N31-R34 CarbonylContact O-C 3.54Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 VanDerWaalsContact O-N 3.15Å; N31-E35 PolarHBondContact O-N 3.32Å
32S57Low65.3Low102 Ų102102 Ų10271%0.71359%0.592SS**Hα-helixtrans-63.4-27.9172-78.80000112.8L28 S29L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.76Å; L28-S32 PolarHBondContact O-OG 2.84Å; S29-S32 PolarHBondContact O-N 3.37Å
33L53.9Low64.9Low137 Ų13799.9 Ų99.972%0.71757%0.573SS**Hα-helixtrans-86.2-23.2173.5-75.5157.4000113S29 Q30 N31S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.44Å; Q30-L33 CarbonylContact O-C 3.54Å; Q30-L33 PolarHBondContact O-N 3.33Å; N31-L33 PolarHBondContact O-N 3.33Å
34R50.9Low64.7Low206 Ų20699.8 Ų99.878%0.77757%0.568SS**Hα-helixtrans-97-2.1178.1-72.9178.298.5-176.25.4114.2Q30 N31Q30-R34 WeakPolarHBondContact O-CB 3.17Å; Q30-R34 VanDerWaalsContact O-CG 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 2.8Å; N31-R34 CarbonylContact O-C 3.54Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 VanDerWaalsContact O-N 3.15Å
35E44.9Very low64.6Low145 Ų14599.3 Ų99.368%0.67857%0.573SS**  trans-116.155.7167.3-72.7-177.6171.600111.6N31N31-E35 PolarHBondContact O-N 3.32Å
36A38.8Very low64.9Low78 Ų7894.4 Ų94.465%0.64555%0.548SS*.  -95.5102122.600000104.6T38A36-T38 PolarHBondContact O-N 2.63Å
37P45.7Very low65.1Low81 Ų8195.6 Ų95.653%0.52655%0.551SS.*  trans-46.6136.5138.127.7-32.8000103.5S39P37-S39 VanDerWaalsContact CG-OG 3.31Å; P37-S39 WeakPolarHBondContact CG-OG 3.31Å; P37-S39 PolarHBondContact O-N 3.18Å
38T39.7Very low65.5Low132 Ų13296.7 Ų96.781%0.8156%0.558SS**  trans-61.969.9143.151.10000104.9A36 K40A36-T38 PolarHBondContact O-N 2.63Å; T38-K40 PolarHBondContact O-N 2.66Å
39S42.7Very low66.1Low86 Ų8693 Ų9360%0.60154%0.537SS*.  trans-52.688.1142.8-81.7000099.8P37 A41P37-S39 VanDerWaalsContact CG-OG 3.31Å; P37-S39 WeakPolarHBondContact CG-OG 3.31Å; P37-S39 PolarHBondContact O-N 3.18Å; S39-A41 PolarHBondContact O-N 2.61Å
40K46.2Very low66.7Low185 Ų18592.1 Ų92.180%0.80453%0.527SS*.  trans-41.491.7138.7-67.7178.9179.8178.50101.1T38 S42T38-K40 PolarHBondContact O-N 2.66Å; K40-S42 PolarHBondContact O-N 3.26Å
41A53.5Low67.7Low54 Ų5497.1 Ų97.145%0.44654%0.541SS..  trans-63.884.8170.900000100.5S39 V43 R77S39-A41 PolarHBondContact O-N 2.61Å; A41-V43 PolarHBondContact O-N 3.37Å; A41-R77 PolarHBondContact O-NH2 2.64Å; A41-R77 VanDerWaalsContact O-NH2 3.15Å
42S71.5Confident69.3Low102 Ų10298.6 Ų98.671%0.71355%0.554SS**  trans-74.594.4-176.7-177.8000099.9K40 P44K40-S42 PolarHBondContact O-N 3.26Å; S42-P44 VanDerWaalsContact O-CD 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.25Å; S42-P44 VanDerWaalsContact O-N 3.1Å
43V81.4Confident71Confident13 Ų13101.8 Ų101.88%0.07955%0.554CS.*PPolyproline II helixtrans-59.7120.7178.2-172.70000104.3A41 H70 V72 F81 W85A41-V43 PolarHBondContact O-N 3.37Å; V43-H70 HydrophobicContact CG1-CB 3.76Å; V43-H70 HydrophobicContact CG2-CB 4.24Å; V43-V72 HydrophobicContact CG1-CG2 4.32Å; V43-V72 HydrophobicContact CG2-CG2 3.72Å; V43-F81 HydrophobicContact CB-CE1 4.07Å; V43-F81 HydrophobicContact CB-CE2 4.11Å; V43-F81 HydrophobicContact CB-CZ 3.69Å; V43-F81 HydrophobicContact CG2-CE1 4.25Å; V43-F81 HydrophobicContact CG2-CE2 3.55Å; V43-F81 HydrophobicContact CG2-CZ 3.37Å; V43-W85 HydrophobicContact CB-CH2 4.17Å; V43-W85 HydrophobicContact CG1-CH2 3.57Å; V43-W85 HydrophobicContact CG1-CZ2 4.31Å
44P87.7Confident72.9Confident61 Ų6197 Ų9740%0.39653%0.528SS..PPolyproline II helixtrans-54.2148.1-178.6-25.434.8000109.8S42 H66 H70 W85S42-P44 VanDerWaalsContact O-CD 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.25Å; S42-P44 VanDerWaalsContact O-N 3.1Å; P44-H66 PolarHBondContact O-NE2 2.77Å; P44-H70 WeakPolarHBondContact CD-CD2 3.32Å; P44-H70 WeakPolarHBondContact CD-NE2 3.36Å; P44-H70 WeakPolarHBondContact CG-NE2 3.38Å; P44-W85 WeakPolarHBondContact O-CH2 3.17Å; P44-W85 VanDerWaalsContact O-CZ2 3.23Å; P44-W85 WeakPolarHBondContact O-CZ2 3.36Å
45S88.5Confident75Confident99 Ų9991.1 Ų91.169%0.69252%0.516SS*.PPolyproline II helixtrans-55.7145.6176-168.80000110.6
46F92.5Very high77.3Confident11 Ų1188.4 Ų88.45%0.04850%0.499CS..  trans-114.5137.5178.6-169.1-100000109.6Y59 R62 L63 H66 W85F46-Y59 HydrophobicContact CD1-CE2 4.01Å; F46-Y59 HydrophobicContact CE1-CD2 4.01Å; F46-Y59 AromaticContact CE1-CE2 3.53Å; F46-Y59 HydrophobicContact CE1-CE2 3.53Å; F46-Y59 AromaticContact CE1-CZ 3.96Å; F46-R62 HydrophobicContact CE2-CG 3.88Å; F46-R62 VanDerWaalsContact CE2-NH1 3.31Å; F46-R62 HydrophobicContact CZ-CB 3.92Å; F46-R62 HydrophobicContact CZ-CG 3.64Å; F46-L63 HydrophobicContact CD1-CD1 3.85Å; F46-L63 HydrophobicContact CD2-CD1 4.3Å; F46-L63 HydrophobicContact CE1-CB 3.95Å; F46-L63 HydrophobicContact CE1-CD1 3.98Å; F46-L63 HydrophobicContact CE2-CD1 4.42Å; F46-L63 HydrophobicContact CG-CD1 4Å; F46-L63 HydrophobicContact CZ-CB 3.86Å; F46-L63 HydrophobicContact CZ-CD1 4.24Å; F46-H66 HydrophobicContact CD2-CB 3.84Å; F46-H66 AromaticContact CD2-CD2 3.89Å; F46-H66 AromaticContact CD2-CG 3.66Å; F46-H66 AromaticContact CD2-ND1 3.94Å; F46-H66 HydrophobicContact CE2-CB 3.79Å; F46-W85 HydrophobicContact CB-CB 4.3Å; F46-W85 HydrophobicContact CB-CD2 3.45Å; F46-W85 VanDerWaalsContact CB-CD2 3.45Å; F46-W85 HydrophobicContact CB-CE3 3.3Å; F46-W85 HydrophobicContact CB-CG 3.91Å; F46-W85 HydrophobicContact CB-CH2 4.23Å; F46-W85 HydrophobicContact CB-CZ2 4.36Å; F46-W85 HydrophobicContact CB-CZ3 3.71Å; F46-W85 HydrophobicContact CD1-CE3 4.48Å; F46-W85 HydrophobicContact CG-CE3 4.1Å; F46-W85 HydrophobicContact CG-CZ3 4.47Å
47P93.1Very high80Confident72 Ų7290.6 Ų90.647%0.46850%0.5SS..PPolyproline II helixtrans-57.3137.8177.2-2532.4000112Y59P47-Y59 WeakPolarHBondContact O-CE2 3.06Å
48P94Very high82.4Confident77 Ų7790.4 Ų90.450%0.550%0.498SS..PPolyproline II helixtrans-67.9162.3179.929.8-35.9000112.8D50 W85P48-D50 PolarHBondContact O-N 3.19Å; P48-W85 WeakPolarHBondContact CA-O 3.27Å; P48-W85 VanDerWaalsContact CB-O 3.27Å; P48-W85 WeakPolarHBondContact CB-O 3.38Å
49F94.9Very high85.1Confident38 Ų3884.1 Ų84.117%0.16746%0.459CS..PPolyproline II helixtrans-67.7125.6176.9176.3-118.5000110.2R51 E54 W56 Y59 V86 T90F49-R51 HydrophobicContact CE1-CB 4.08Å; F49-R51 HydrophobicContact CZ-CB 4.04Å; F49-R51 HydrophobicContact CZ-CG 4.29Å; F49-E54 HydrophobicContact CD2-CG 4.37Å; F49-E54 HydrophobicContact CE2-CG 4.38Å; F49-W56 HydrophobicContact CB-CZ3 4.28Å; F49-W56 AromaticContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CZ3 4.09Å; F49-W56 AromaticContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CZ3 4.41Å; F49-W56 HydrophobicContact CE1-CE3 4.04Å; F49-W56 HydrophobicContact CE2-CB 4.46Å; F49-W56 HydrophobicContact CE2-CE3 4.07Å; F49-W56 AromaticContact CG-CE3 3.93Å; F49-W56 HydrophobicContact CG-CE3 3.93Å; F49-W56 AromaticContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CZ-CB 4.38Å; F49-W56 HydrophobicContact CZ-CE3 4.1Å; F49-Y59 HydrophobicContact CB-CD1 4.28Å; F49-Y59 HydrophobicContact CB-CD2 3.85Å; F49-Y59 HydrophobicContact CB-CE1 4.26Å; F49-Y59 HydrophobicContact CB-CE2 3.8Å; F49-Y59 HydrophobicContact CB-CG 4.11Å; F49-Y59 HydrophobicContact CD2-CD1 4.29Å; F49-Y59 AromaticContact CD2-CD2 3.99Å; F49-Y59 HydrophobicContact CD2-CD2 3.99Å; F49-Y59 AromaticContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CG-CD2 4.42Å; F49-Y59 HydrophobicContact CG-CG 4.31Å; F49-V86 HydrophobicContact CB-CG2 4.18Å; F49-T90 HydrophobicContact CD1-CG2 4.26Å
50D92.6Very high87.5Confident44 Ų4485.4 Ų85.424%0.23545%0.454CS..  trans-126.4105.3176.6-175.6-15.3000109.5P48 T52 K53 E54P48-D50 PolarHBondContact O-N 3.19Å; D50-T52 VanDerWaalsContact CG-OG1 3.31Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.08Å; D50-T52 WeakPolarHBondContact OD1-CB 3.23Å; D50-T52 PolarHBondContact OD1-N 3.02Å; D50-T52 PolarHBondContact OD1-OG1 3.12Å; D50-T52 PolarHBondContact OD2-OG1 3.18Å; D50-K53 HydrophobicContact CB-CB 4.23Å; D50-K53 HydrophobicContact CB-CD 4.21Å; D50-K53 HydrophobicContact CB-CG 4.25Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 WeakPolarHBondContact OD2-CD 3.4Å; D50-K53 VanDerWaalsContact OD2-CE 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.16Å; D50-K53 WeakPolarHBondContact OD2-CG 3.49Å; D50-K53 IonicContact OD2-NZ 2.72Å; D50-K53 PolarHBondContact OD2-NZ 3.42Å; D50-E54 PolarHBondContact O-N 3.04Å
51R91.8Very high89.9Confident222 Ų22279.4 Ų79.484%0.83844%0.439SS*.THydrogen-bonded Turntrans-62.5-16.6-178.3-164.6179.1-177.8177.22.4113.1F49F49-R51 HydrophobicContact CE1-CB 4.08Å; F49-R51 HydrophobicContact CZ-CB 4.04Å; F49-R51 HydrophobicContact CZ-CG 4.29Å
52T93.1Very high91.9Very high126 Ų12680.8 Ų80.877%0.77343%0.433SS*.THydrogen-bonded Turntrans-82.6-17.8175.472.40000112.9D50D50-T52 VanDerWaalsContact CG-OG1 3.31Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.08Å; D50-T52 WeakPolarHBondContact OD1-CB 3.23Å; D50-T52 PolarHBondContact OD1-N 3.02Å; D50-T52 PolarHBondContact OD1-OG1 3.12Å; D50-T52 PolarHBondContact OD2-OG1 3.18Å
53K93.2Very high93Very high168 Ų16876 Ų7673%0.7340%0.399SS*.THydrogen-bonded Turntrans-109.1-36.8-174.9-66.3-176.8-178.1122.10113.6D50D50-K53 HydrophobicContact CB-CB 4.23Å; D50-K53 HydrophobicContact CB-CD 4.21Å; D50-K53 HydrophobicContact CB-CG 4.25Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 WeakPolarHBondContact OD2-CD 3.4Å; D50-K53 VanDerWaalsContact OD2-CE 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.16Å; D50-K53 WeakPolarHBondContact OD2-CG 3.49Å; D50-K53 IonicContact OD2-NZ 2.72Å; D50-K53 PolarHBondContact OD2-NZ 3.42Å
54E94.6Very high93.6Very high36 Ų3677 Ų7717%0.16841%0.412CS..  trans-145.7156.3-176.266.5-170.9151.800112.6F49 D50 V58 Y59 R62F49-E54 HydrophobicContact CD2-CG 4.37Å; F49-E54 HydrophobicContact CE2-CG 4.38Å; D50-E54 PolarHBondContact O-N 3.04Å; E54-V58 HydrophobicContact CB-CB 4.32Å; E54-V58 HydrophobicContact CB-CG1 4.12Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; E54-R62 IonicContact OE1-CZ 3.69Å; E54-R62 IonicContact OE1-NE 3.88Å; E54-R62 IonicContact OE1-NH2 2.71Å; E54-R62 PolarHBondContact OE1-NH2 3.31Å; E54-R62 IonicContact OE2-CZ 3.88Å; E54-R62 IonicContact OE2-NE 3.31Å; E54-R62 PolarHBondContact OE2-NE 3.15Å; E54-R62 IonicContact OE2-NH2 3.57Å
55T95Very high94Very high83 Ų8380.8 Ų80.851%0.50943%0.425SS..  trans-76.6160.4169.664.80000110.3D57 V58 Y59T55-D57 VanDerWaalsContact C-N 3.29Å; T55-D57 PolarHBondContact O-N 3.49Å; T55-V58 PolarHBondContact O-N 2.93Å; T55-V58 VanDerWaalsContact OG1-CG2 3.32Å; T55-V58 WeakPolarHBondContact OG1-CG2 2.9Å; T55-V58 PolarHBondContact OG1-N 3.32Å; T55-Y59 PolarHBondContact O-N 3.5Å
56W93.3Very high94.2Very high88 Ų8877.4 Ų77.433%0.33340%0.398SS..Hα-helixtrans-58.6-40.6177.5-178.9-105.3000112.5F49 V58 Y59 F60 L82 V86 T90F49-W56 HydrophobicContact CB-CZ3 4.28Å; F49-W56 AromaticContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CZ3 4.09Å; F49-W56 AromaticContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CZ3 4.41Å; F49-W56 HydrophobicContact CE1-CE3 4.04Å; F49-W56 HydrophobicContact CE2-CB 4.46Å; F49-W56 HydrophobicContact CE2-CE3 4.07Å; F49-W56 AromaticContact CG-CE3 3.93Å; F49-W56 HydrophobicContact CG-CE3 3.93Å; F49-W56 AromaticContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CZ-CB 4.38Å; F49-W56 HydrophobicContact CZ-CE3 4.1Å; W56-V58 VanDerWaalsContact C-N 3.33Å; W56-V58 PolarHBondContact O-N 3.05Å; W56-Y59 HydrophobicContact CE3-CD1 4.11Å; W56-Y59 HydrophobicContact CH2-CD1 4.28Å; W56-Y59 HydrophobicContact CH2-CE1 4.26Å; W56-Y59 AromaticContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CE1 4.05Å; W56-Y59 PolarHBondContact O-N 3.26Å; W56-F60 HydrophobicContact CZ2-CD2 4.43Å; W56-F60 WeakPolarHBondContact O-CB 3.47Å; W56-F60 PolarHBondContact O-N 2.87Å; W56-L82 HydrophobicContact CH2-CD1 4.32Å; W56-V86 HydrophobicContact CH2-CG2 3.62Å; W56-V86 HydrophobicContact CZ3-CG2 3.59Å; W56-T90 HydrophobicContact CH2-CG2 4.28Å; W56-T90 HydrophobicContact CZ3-CG2 3.87Å
57D95.7Very high94.3Very high124 Ų12477.7 Ų77.766%0.66340%0.399SS*.Hα-helixtrans-61.9-40.3178.8-55.9-71.5000112.2T55 F60 A61T55-D57 VanDerWaalsContact C-N 3.29Å; T55-D57 PolarHBondContact O-N 3.49Å; D57-F60 PolarHBondContact O-N 3.09Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.91Å
58V95.9Very high94.3Very high78 Ų7881.1 Ų81.147%0.47341%0.409SS..Hα-helixtrans-67.2-45.7177.3173.10000110.6E54 T55 W56 F60 A61 R62E54-V58 HydrophobicContact CB-CB 4.32Å; E54-V58 HydrophobicContact CB-CG1 4.12Å; T55-V58 PolarHBondContact O-N 2.93Å; T55-V58 VanDerWaalsContact OG1-CG2 3.32Å; T55-V58 WeakPolarHBondContact OG1-CG2 2.9Å; T55-V58 PolarHBondContact OG1-N 3.32Å; W56-V58 VanDerWaalsContact C-N 3.33Å; W56-V58 PolarHBondContact O-N 3.05Å; V58-F60 VanDerWaalsContact C-N 3.34Å; V58-F60 PolarHBondContact O-N 3.44Å; V58-A61 PolarHBondContact O-N 3.17Å; V58-R62 WeakPolarHBondContact O-CB 3.33Å; V58-R62 PolarHBondContact O-N 3.04Å
59Y95.5Very high94.2Very high0 Ų081 Ų810%041%0.414CS..Hα-helixtrans-57.1-48175173.7-94.8000111.4F46 P47 F49 E54 T55 W56 R62 L63 L82 V86F46-Y59 HydrophobicContact CD1-CE2 4.01Å; F46-Y59 HydrophobicContact CE1-CD2 4.01Å; F46-Y59 AromaticContact CE1-CE2 3.53Å; F46-Y59 HydrophobicContact CE1-CE2 3.53Å; F46-Y59 AromaticContact CE1-CZ 3.96Å; P47-Y59 WeakPolarHBondContact O-CE2 3.06Å; F49-Y59 HydrophobicContact CB-CD1 4.28Å; F49-Y59 HydrophobicContact CB-CD2 3.85Å; F49-Y59 HydrophobicContact CB-CE1 4.26Å; F49-Y59 HydrophobicContact CB-CE2 3.8Å; F49-Y59 HydrophobicContact CB-CG 4.11Å; F49-Y59 HydrophobicContact CD2-CD1 4.29Å; F49-Y59 AromaticContact CD2-CD2 3.99Å; F49-Y59 HydrophobicContact CD2-CD2 3.99Å; F49-Y59 AromaticContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CG-CD2 4.42Å; F49-Y59 HydrophobicContact CG-CG 4.31Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; T55-Y59 PolarHBondContact O-N 3.5Å; W56-Y59 HydrophobicContact CE3-CD1 4.11Å; W56-Y59 HydrophobicContact CH2-CD1 4.28Å; W56-Y59 HydrophobicContact CH2-CE1 4.26Å; W56-Y59 AromaticContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CE1 4.05Å; W56-Y59 PolarHBondContact O-N 3.26Å; Y59-R62 PolarHBondContact O-N 2.92Å; Y59-L63 HydrophobicContact CE1-CD2 4.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.38Å; Y59-L63 PolarHBondContact O-N 3.44Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; Y59-V86 HydrophobicContact CE1-CG2 4.22Å; Y59-V86 WeakPolarHBondContact OH-CA 3.45Å
60F94.2Very high94Very high112 Ų11282.1 Ų82.149%0.49142%0.42SS..Hα-helixtrans-66.7-39.7-177.9-163.8-95.8000112.1W56 D57 V58 L63 G64 L82W56-F60 HydrophobicContact CZ2-CD2 4.43Å; W56-F60 WeakPolarHBondContact O-CB 3.47Å; W56-F60 PolarHBondContact O-N 2.87Å; D57-F60 PolarHBondContact O-N 3.09Å; V58-F60 VanDerWaalsContact C-N 3.34Å; V58-F60 PolarHBondContact O-N 3.44Å; F60-L63 PolarHBondContact O-N 3.38Å; F60-G64 PolarHBondContact O-N 3.19Å; F60-L82 HydrophobicContact CE2-CD2 4.39Å
61A95.9Very high93.9Very high60 Ų6090.1 Ų90.150%0.49645%0.447SS..Hα-helixtrans-63.2-44.9174.200000111.9D57 V58 L63 G64 Q65D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.91Å; V58-A61 PolarHBondContact O-N 3.17Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 2.97Å; A61-G64 PolarHBondContact O-N 2.89Å; A61-Q65 PolarHBondContact O-N 3.39Å
62R95.8Very high93.8Very high82 Ų8279.8 Ų79.831%0.30941%0.408SS..Hα-helixtrans-62.1-40.3176.9-171.2172.257.587-2.5111.3F46 E54 V58 Y59 Q65 H66F46-R62 HydrophobicContact CE2-CG 3.88Å; F46-R62 VanDerWaalsContact CE2-NH1 3.31Å; F46-R62 HydrophobicContact CZ-CB 3.92Å; F46-R62 HydrophobicContact CZ-CG 3.64Å; E54-R62 IonicContact OE1-CZ 3.69Å; E54-R62 IonicContact OE1-NE 3.88Å; E54-R62 IonicContact OE1-NH2 2.71Å; E54-R62 PolarHBondContact OE1-NH2 3.31Å; E54-R62 IonicContact OE2-CZ 3.88Å; E54-R62 IonicContact OE2-NE 3.31Å; E54-R62 PolarHBondContact OE2-NE 3.15Å; E54-R62 IonicContact OE2-NH2 3.57Å; V58-R62 WeakPolarHBondContact O-CB 3.33Å; V58-R62 PolarHBondContact O-N 3.04Å; Y59-R62 PolarHBondContact O-N 2.92Å; R62-Q65 PolarHBondContact O-N 2.91Å; R62-H66 PolarHBondContact O-N 2.93Å
63L94.8Very high93.6Very high2 Ų279.3 Ų79.31%0.0141%0.405CS..Hα-helixtrans-66.6-39.3175.3-177.363.9000111.9F46 Y59 F60 A61 Q65 H66 F67 L82 W85F46-L63 HydrophobicContact CD1-CD1 3.85Å; F46-L63 HydrophobicContact CD2-CD1 4.3Å; F46-L63 HydrophobicContact CE1-CB 3.95Å; F46-L63 HydrophobicContact CE1-CD1 3.98Å; F46-L63 HydrophobicContact CE2-CD1 4.42Å; F46-L63 HydrophobicContact CG-CD1 4Å; F46-L63 HydrophobicContact CZ-CB 3.86Å; F46-L63 HydrophobicContact CZ-CD1 4.24Å; Y59-L63 HydrophobicContact CE1-CD2 4.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.38Å; Y59-L63 PolarHBondContact O-N 3.44Å; F60-L63 PolarHBondContact O-N 3.38Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 2.97Å; L63-Q65 PolarHBondContact O-N 3.34Å; L63-H66 WeakPolarHBondContact O-CB 3.42Å; L63-H66 PolarHBondContact O-N 3.28Å; L63-H66 VanDerWaalsContact O-N 3.17Å; L63-F67 HydrophobicContact CD1-CE1 3.9Å; L63-F67 HydrophobicContact CD1-CE2 4.08Å; L63-F67 HydrophobicContact CD1-CZ 3.64Å; L63-F67 HydrophobicContact CD2-CE2 3.92Å; L63-F67 HydrophobicContact CD2-CZ 3.95Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE1 4.36Å; L63-F67 HydrophobicContact CG-CE2 3.63Å; L63-F67 HydrophobicContact CG-CZ 3.71Å; L63-F67 WeakPolarHBondContact O-CG 3.43Å; L63-F67 PolarHBondContact O-N 2.93Å; L63-L82 HydrophobicContact CD2-CB 4.04Å; L63-L82 HydrophobicContact CD2-CD1 3.41Å; L63-L82 VanDerWaalsContact CD2-CD1 3.41Å; L63-L82 HydrophobicContact CD2-CG 4.29Å; L63-W85 HydrophobicContact CD1-CE3 3.66Å; L63-W85 HydrophobicContact CD1-CZ3 3.79Å
64G94Very high93.4Very high35 Ų3574.2 Ų74.236%0.36139%0.391SS..Hα-helixtrans-58.4-45.8173.900000112.4F60 A61 H66 F67 E68F60-G64 PolarHBondContact O-N 3.19Å; A61-G64 PolarHBondContact O-N 2.89Å; G64-H66 VanDerWaalsContact C-N 3.31Å; G64-H66 PolarHBondContact O-N 2.93Å; G64-F67 PolarHBondContact O-N 3.45Å; G64-E68 PolarHBondContact O-N 2.71Å
65Q95.1Very high93.2Very high140 Ų14077.6 Ų77.665%0.65441%0.41SS*.Hα-helixtrans-62.8-38.1174.4-65.9-59.1-34.900112.1A61 R62 L63 F67 E68 A69A61-Q65 PolarHBondContact O-N 3.39Å; R62-Q65 PolarHBondContact O-N 2.91Å; L63-Q65 PolarHBondContact O-N 3.34Å; Q65-F67 VanDerWaalsContact C-N 3.35Å; Q65-F67 PolarHBondContact O-N 2.93Å; Q65-E68 PolarHBondContact O-N 2.95Å; Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.2Å
66H93.8Very high92.9Very high28 Ų2879.8 Ų79.813%0.1342%0.418CS..Hα-helixtrans-64-39.8175.9-167.975.8000112.2P44 F46 R62 L63 G64 H70 W85P44-H66 PolarHBondContact O-NE2 2.77Å; F46-H66 HydrophobicContact CD2-CB 3.84Å; F46-H66 AromaticContact CD2-CD2 3.89Å; F46-H66 AromaticContact CD2-CG 3.66Å; F46-H66 AromaticContact CD2-ND1 3.94Å; F46-H66 HydrophobicContact CE2-CB 3.79Å; R62-H66 PolarHBondContact O-N 2.93Å; L63-H66 WeakPolarHBondContact O-CB 3.42Å; L63-H66 PolarHBondContact O-N 3.28Å; L63-H66 VanDerWaalsContact O-N 3.17Å; G64-H66 VanDerWaalsContact C-N 3.31Å; G64-H66 PolarHBondContact O-N 2.93Å; H66-H70 AromaticContact CD2-ND1 3.9Å; H66-H70 AromaticContact CE1-CE1 3.26Å; H66-H70 PolarHBondContact CE1-CE1 3.24Å; H66-H70 AromaticContact CE1-ND1 3.53Å; H66-H70 AromaticContact CG-ND1 3.77Å; H66-H70 AromaticContact ND1-CE1 3.37Å; H66-H70 PolarHBondContact ND1-CE1 3.31Å; H66-H70 AromaticContact ND1-ND1 3.53Å; H66-H70 AromaticContact NE2-CE1 3.9Å; H66-H70 AromaticContact NE2-ND1 3.76Å; H66-H70 PolarHBondContact O-N 3.46Å; H66-H70 PolarHBondContact O-ND1 3.06Å; H66-W85 AromaticContact CD2-CH2 3.74Å; H66-W85 AromaticContact CD2-CZ3 3.65Å; H66-W85 AromaticContact NE2-CH2 3.69Å
67F94.1Very high92.8Very high16 Ų1680 Ų807%0.0742%0.419CS..Hα-helixtrans-65-41.3174.4-69.7-29.3000112.7L63 G64 Q65 H70 R71 V72 K78 F81 W85L63-F67 HydrophobicContact CD1-CE1 3.9Å; L63-F67 HydrophobicContact CD1-CE2 4.08Å; L63-F67 HydrophobicContact CD1-CZ 3.64Å; L63-F67 HydrophobicContact CD2-CE2 3.92Å; L63-F67 HydrophobicContact CD2-CZ 3.95Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE1 4.36Å; L63-F67 HydrophobicContact CG-CE2 3.63Å; L63-F67 HydrophobicContact CG-CZ 3.71Å; L63-F67 WeakPolarHBondContact O-CG 3.43Å; L63-F67 PolarHBondContact O-N 2.93Å; G64-F67 PolarHBondContact O-N 3.45Å; Q65-F67 VanDerWaalsContact C-N 3.35Å; Q65-F67 PolarHBondContact O-N 2.93Å; F67-H70 CarbonylContact O-C 3.54Å; F67-H70 PolarHBondContact O-N 3.44Å; F67-R71 PolarHBondContact O-N 3.37Å; F67-V72 HydrophobicContact CB-CB 3.96Å; F67-V72 HydrophobicContact CD1-CB 3.82Å; F67-V72 HydrophobicContact CD1-CG1 3.98Å; F67-V72 HydrophobicContact CD1-CG2 3.91Å; F67-V72 HydrophobicContact CE1-CG1 4.44Å; F67-V72 HydrophobicContact CG-CB 4.12Å; F67-V72 HydrophobicContact CG-CG1 4.37Å; F67-V72 PolarHBondContact O-N 2.88Å; F67-K78 HydrophobicContact CD2-CB 4.01Å; F67-K78 HydrophobicContact CD2-CD 4.12Å; F67-K78 HydrophobicContact CD2-CG 3.73Å; F67-K78 HydrophobicContact CE2-CB 3.71Å; F67-K78 HydrophobicContact CE2-CG 3.98Å; F67-K78 HydrophobicContact CG-CG 4.1Å; F67-K78 HydrophobicContact CZ-CB 4.17Å; F67-K78 VanDerWaalsContact CZ-O 3.29Å; F67-K78 WeakPolarHBondContact CZ-O 3.49Å; F67-F81 HydrophobicContact CD1-CD2 4.46Å; F67-F81 HydrophobicContact CE1-CB 3.48Å; F67-F81 VanDerWaalsContact CE1-CB 3.48Å; F67-F81 AromaticContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CG 4.04Å; F67-F81 HydrophobicContact CZ-CB 3.73Å; F67-W85 AromaticContact CE1-CZ3 3.79Å; F67-W85 HydrophobicContact CE1-CZ3 3.79Å
68E92.7Very high92.6Very high144 Ų14477.4 Ų77.467%0.67340%0.402SS*.Hα-helixtrans-63.7-48.6177.5-166.360.4-153.600111G64 Q65 H70 R71G64-E68 PolarHBondContact O-N 2.71Å; Q65-E68 PolarHBondContact O-N 2.95Å; E68-H70 PolarHBondContact O-N 3.41Å; E68-R71 PolarHBondContact O-N 3.47Å; E68-R71 VanDerWaalsContact O-N 3.12Å
69A92.5Very high92.4Very high75 Ų7581.6 Ų81.662%0.6241%0.409SS*.Hα-helixtrans-57.6-34.2178.600000112.9Q65Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.2Å
70H91.1Very high92.1Very high61 Ų6184.3 Ų84.328%0.28243%0.432SS..THydrogen-bonded Turntrans-103.513.8-177.8-59.195.4000114V43 P44 H66 F67 E68 V72V43-H70 HydrophobicContact CG1-CB 3.76Å; V43-H70 HydrophobicContact CG2-CB 4.24Å; P44-H70 WeakPolarHBondContact CD-CD2 3.32Å; P44-H70 WeakPolarHBondContact CD-NE2 3.36Å; P44-H70 WeakPolarHBondContact CG-NE2 3.38Å; H66-H70 AromaticContact CD2-ND1 3.9Å; H66-H70 AromaticContact CE1-CE1 3.26Å; H66-H70 PolarHBondContact CE1-CE1 3.24Å; H66-H70 AromaticContact CE1-ND1 3.53Å; H66-H70 AromaticContact CG-ND1 3.77Å; H66-H70 AromaticContact ND1-CE1 3.37Å; H66-H70 PolarHBondContact ND1-CE1 3.31Å; H66-H70 AromaticContact ND1-ND1 3.53Å; H66-H70 AromaticContact NE2-CE1 3.9Å; H66-H70 AromaticContact NE2-ND1 3.76Å; H66-H70 PolarHBondContact O-N 3.46Å; H66-H70 PolarHBondContact O-ND1 3.06Å; F67-H70 CarbonylContact O-C 3.54Å; F67-H70 PolarHBondContact O-N 3.44Å; E68-H70 PolarHBondContact O-N 3.41Å; H70-V72 HydrophobicContact CB-CG2 4.31Å; H70-V72 PolarHBondContact O-N 2.96Å
71R90Very high92Very high213 Ų21380.9 Ų80.980%0.80442%0.417SS*.THydrogen-bonded Turntrans52.440.5177.1-55.6-177.5179.3-179.5-0.6113F67 E68 V73F67-R71 PolarHBondContact O-N 3.37Å; E68-R71 PolarHBondContact O-N 3.47Å; E68-R71 VanDerWaalsContact O-N 3.12Å; R71-V73 PolarHBondContact O-N 2.9Å; R71-V73 VanDerWaalsContact O-N 3.09Å
72V89.3Confident91.9Very high4 Ų479.4 Ų79.42%0.02440%0.401CS..  trans-80.489.1172.6-176.20000108.1V43 F67 H70 R77 K78 F81V43-V72 HydrophobicContact CG1-CG2 4.32Å; V43-V72 HydrophobicContact CG2-CG2 3.72Å; F67-V72 HydrophobicContact CB-CB 3.96Å; F67-V72 HydrophobicContact CD1-CB 3.82Å; F67-V72 HydrophobicContact CD1-CG1 3.98Å; F67-V72 HydrophobicContact CD1-CG2 3.91Å; F67-V72 HydrophobicContact CE1-CG1 4.44Å; F67-V72 HydrophobicContact CG-CB 4.12Å; F67-V72 HydrophobicContact CG-CG1 4.37Å; F67-V72 PolarHBondContact O-N 2.88Å; H70-V72 HydrophobicContact CB-CG2 4.31Å; H70-V72 PolarHBondContact O-N 2.96Å; V72-R77 HydrophobicContact CG1-CB 4.03Å; V72-R77 HydrophobicContact CG1-CG 3.92Å; V72-K78 HydrophobicContact CG1-CG 3.75Å; V72-K78 WeakPolarHBondContact O-CE 3.29Å; V72-F81 HydrophobicContact CG1-CD2 3.86Å; V72-F81 HydrophobicContact CG1-CE2 3.97Å; V72-F81 HydrophobicContact CG2-CD2 4.15Å; V72-F81 HydrophobicContact CG2-CE2 3.81Å
73V88.7Confident91.6Very high116 Ų11679.2 Ų79.270%0.70341%0.405SS*.  trans-85-42-174.1-176.30000112.5R71R71-V73 PolarHBondContact O-N 2.9Å; R71-V73 VanDerWaalsContact O-N 3.09Å
74S89.5Confident91.4Very high62 Ų6283.4 Ų83.443%0.43444%0.435SS..  trans-74.8131.1-171.757.20000112.8N76 R77 K78S74-N76 VanDerWaalsContact C-N 3.26Å; S74-N76 PolarHBondContact O-N 3.34Å; S74-R77 WeakPolarHBondContact O-CA 3.38Å; S74-R77 WeakPolarHBondContact O-CB 3.28Å; S74-R77 PolarHBondContact O-N 3.33Å; S74-R77 WeakPolarHBondContact OG-CB 3.26Å; S74-K78 PolarHBondContact O-N 2.98Å
75D90.3Very high91.4Very high106 Ų10683 Ų8357%0.56742%0.422SS*.Hα-helixtrans-60-37.4-179.6-65.6-37.3000112.4R77 K78 R79D75-R77 PolarHBondContact O-N 3.5Å; D75-K78 PolarHBondContact O-N 2.85Å; D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.28Å; D75-R79 WeakPolarHBondContact O-CG 3.47Å; D75-R79 PolarHBondContact O-N 3.31Å
76N89.7Confident91.2Very high129 Ų12976.4 Ų76.469%0.6939%0.391SS*.Hα-helixtrans-58.9-37.9173.8-69.9-17.7000111.9S74 A80S74-N76 VanDerWaalsContact C-N 3.26Å; S74-N76 PolarHBondContact O-N 3.34Å; N76-A80 WeakPolarHBondContact O-CB 3.27Å; N76-A80 PolarHBondContact O-N 3.47Å
77R90.1Very high91Very high93 Ų9376.4 Ų76.435%0.35140%0.399SS..Hα-helixtrans-77.4-39179.6-165.2178.4-177.7-168-1.9111.5A41 V72 S74 D75 R79 A80 F81A41-R77 PolarHBondContact O-NH2 2.64Å; A41-R77 VanDerWaalsContact O-NH2 3.15Å; V72-R77 HydrophobicContact CG1-CB 4.03Å; V72-R77 HydrophobicContact CG1-CG 3.92Å; S74-R77 WeakPolarHBondContact O-CA 3.38Å; S74-R77 WeakPolarHBondContact O-CB 3.28Å; S74-R77 PolarHBondContact O-N 3.33Å; S74-R77 WeakPolarHBondContact OG-CB 3.26Å; D75-R77 PolarHBondContact O-N 3.5Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.32Å; R77-A80 PolarHBondContact O-N 3.42Å; R77-F81 HydrophobicContact CG-CD2 3.88Å; R77-F81 HydrophobicContact CG-CE2 3.46Å; R77-F81 VanDerWaalsContact CG-CE2 3.46Å; R77-F81 HydrophobicContact CG-CZ 4.25Å; R77-F81 WeakPolarHBondContact O-CD2 3.35Å; R77-F81 PolarHBondContact O-N 2.72Å
78K92.4Very high90.8Very high69 Ų6979.9 Ų79.930%0.343%0.426SS..Hα-helixtrans-57.6-47.1170.9-66.6-179.3-177.11710111.1F67 V72 S74 D75 F81 L82F67-K78 HydrophobicContact CD2-CB 4.01Å; F67-K78 HydrophobicContact CD2-CD 4.12Å; F67-K78 HydrophobicContact CD2-CG 3.73Å; F67-K78 HydrophobicContact CE2-CB 3.71Å; F67-K78 HydrophobicContact CE2-CG 3.98Å; F67-K78 HydrophobicContact CG-CG 4.1Å; F67-K78 HydrophobicContact CZ-CB 4.17Å; F67-K78 VanDerWaalsContact CZ-O 3.29Å; F67-K78 WeakPolarHBondContact CZ-O 3.49Å; V72-K78 HydrophobicContact CG1-CG 3.75Å; V72-K78 WeakPolarHBondContact O-CE 3.29Å; S74-K78 PolarHBondContact O-N 2.98Å; D75-K78 PolarHBondContact O-N 2.85Å; K78-F81 PolarHBondContact O-N 3.41Å; K78-L82 WeakPolarHBondContact O-CB 3.12Å; K78-L82 PolarHBondContact O-N 3.08Å
79R91.3Very high90.6Very high166 Ų16679.7 Ų79.763%0.62643%0.429SS*.Hα-helixtrans-60.3-47.7175.6-74.1174.7178.7176.2-1.3111.9D75 R77 F81 L82 L83D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.28Å; D75-R79 WeakPolarHBondContact O-CG 3.47Å; D75-R79 PolarHBondContact O-N 3.31Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.32Å; R79-F81 PolarHBondContact O-N 3.07Å; R79-L82 PolarHBondContact O-N 3.36Å; R79-L83 WeakPolarHBondContact O-CB 3.26Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.93Å
80A90.1Very high90.5Very high58 Ų5877.1 Ų77.148%0.47941%0.406SS..Hα-helixtrans-59.4-44.8178.300000112.3N76 R77 S84N76-A80 WeakPolarHBondContact O-CB 3.27Å; N76-A80 PolarHBondContact O-N 3.47Å; R77-A80 PolarHBondContact O-N 3.42Å; A80-S84 WeakPolarHBondContact O-CB 3.34Å; A80-S84 PolarHBondContact O-N 2.89Å
81F91.8Very high90.4Very high39 Ų3977.5 Ų77.517%0.17141%0.406CS..Hα-helixtrans-67.5-42.3176.9-75.5-51.6000113.1V43 F67 V72 R77 K78 R79 L83 S84 W85V43-F81 HydrophobicContact CB-CE1 4.07Å; V43-F81 HydrophobicContact CB-CE2 4.11Å; V43-F81 HydrophobicContact CB-CZ 3.69Å; V43-F81 HydrophobicContact CG2-CE1 4.25Å; V43-F81 HydrophobicContact CG2-CE2 3.55Å; V43-F81 HydrophobicContact CG2-CZ 3.37Å; F67-F81 HydrophobicContact CD1-CD2 4.46Å; F67-F81 HydrophobicContact CE1-CB 3.48Å; F67-F81 VanDerWaalsContact CE1-CB 3.48Å; F67-F81 AromaticContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CG 4.04Å; F67-F81 HydrophobicContact CZ-CB 3.73Å; V72-F81 HydrophobicContact CG1-CD2 3.86Å; V72-F81 HydrophobicContact CG1-CE2 3.97Å; V72-F81 HydrophobicContact CG2-CD2 4.15Å; V72-F81 HydrophobicContact CG2-CE2 3.81Å; R77-F81 HydrophobicContact CG-CD2 3.88Å; R77-F81 HydrophobicContact CG-CE2 3.46Å; R77-F81 VanDerWaalsContact CG-CE2 3.46Å; R77-F81 HydrophobicContact CG-CZ 4.25Å; R77-F81 WeakPolarHBondContact O-CD2 3.35Å; R77-F81 PolarHBondContact O-N 2.72Å; K78-F81 PolarHBondContact O-N 3.41Å; R79-F81 PolarHBondContact O-N 3.07Å; F81-L83 PolarHBondContact O-N 2.95Å; F81-S84 PolarHBondContact O-N 2.6Å; F81-W85 HydrophobicContact CB-CD2 4.45Å; F81-W85 HydrophobicContact CB-CE3 3.91Å; F81-W85 HydrophobicContact CB-CH2 4.03Å; F81-W85 HydrophobicContact CB-CZ3 3.7Å; F81-W85 AromaticContact CD1-CH2 3.74Å; F81-W85 HydrophobicContact CD1-CH2 3.74Å; F81-W85 AromaticContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ3 4.29Å; F81-W85 HydrophobicContact CE1-CH2 4.34Å; F81-W85 HydrophobicContact CE1-CZ2 4.24Å; F81-W85 AromaticContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CZ2 4.34Å; F81-W85 HydrophobicContact CG-CZ3 4.07Å; F81-W85 WeakPolarHBondContact O-CB 3.49Å; F81-W85 PolarHBondContact O-N 2.91Å
82L92.8Very high90.3Very high30 Ų3071.9 Ų71.916%0.15739%0.389CS..Hα-helixtrans-55-53.1174.4171.565000110.2W56 Y59 F60 L63 K78 R79 S84 W85 V86W56-L82 HydrophobicContact CH2-CD1 4.32Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; F60-L82 HydrophobicContact CE2-CD2 4.39Å; L63-L82 HydrophobicContact CD2-CB 4.04Å; L63-L82 HydrophobicContact CD2-CD1 3.41Å; L63-L82 VanDerWaalsContact CD2-CD1 3.41Å; L63-L82 HydrophobicContact CD2-CG 4.29Å; K78-L82 WeakPolarHBondContact O-CB 3.12Å; K78-L82 PolarHBondContact O-N 3.08Å; R79-L82 PolarHBondContact O-N 3.36Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 3.26Å; L82-W85 PolarHBondContact O-N 3.18Å; L82-V86 HydrophobicContact CD1-CB 4.44Å; L82-V86 HydrophobicContact CD1-CG2 4.45Å; L82-V86 VanDerWaalsContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 PolarHBondContact O-N 3.34Å
83L90.7Very high90.3Very high78 Ų7876.4 Ų76.441%0.40841%0.413SS..Hα-helixtrans-64.2-31.6-179.6-67.6175000112.6R79 F81 F91 L94R79-L83 WeakPolarHBondContact O-CB 3.26Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.93Å; F81-L83 PolarHBondContact O-N 2.95Å; L83-F91 HydrophobicContact CB-CD2 4.11Å; L83-F91 HydrophobicContact CB-CE2 4.02Å; L83-F91 HydrophobicContact CD2-CD2 3.86Å; L83-F91 HydrophobicContact CD2-CE2 3.95Å; L83-F91 HydrophobicContact CG-CE2 4.37Å; L83-L94 HydrophobicContact CD2-CD1 4.13Å
84S89.9Confident90.2Very high89 Ų8972.3 Ų72.362%0.62239%0.387SS*.Hα-helixtrans-72.5-29.9175.8-175.90000113.6A80 F81 L82A80-S84 WeakPolarHBondContact O-CB 3.34Å; A80-S84 PolarHBondContact O-N 2.89Å; F81-S84 PolarHBondContact O-N 2.6Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 3.26Å
85W92.8Very high90Very high28 Ų2874.1 Ų74.111%0.10639%0.388CS..Hα-helixtrans-106-20.6-172.9-66.2-34.6000114.6V43 P44 F46 P48 L63 H66 F67 F81 L82 G87V43-W85 HydrophobicContact CB-CH2 4.17Å; V43-W85 HydrophobicContact CG1-CH2 3.57Å; V43-W85 HydrophobicContact CG1-CZ2 4.31Å; P44-W85 WeakPolarHBondContact O-CH2 3.17Å; P44-W85 VanDerWaalsContact O-CZ2 3.23Å; P44-W85 WeakPolarHBondContact O-CZ2 3.36Å; F46-W85 HydrophobicContact CB-CB 4.3Å; F46-W85 HydrophobicContact CB-CD2 3.45Å; F46-W85 VanDerWaalsContact CB-CD2 3.45Å; F46-W85 HydrophobicContact CB-CE3 3.3Å; F46-W85 HydrophobicContact CB-CG 3.91Å; F46-W85 HydrophobicContact CB-CH2 4.23Å; F46-W85 HydrophobicContact CB-CZ2 4.36Å; F46-W85 HydrophobicContact CB-CZ3 3.71Å; F46-W85 HydrophobicContact CD1-CE3 4.48Å; F46-W85 HydrophobicContact CG-CE3 4.1Å; F46-W85 HydrophobicContact CG-CZ3 4.47Å; P48-W85 WeakPolarHBondContact CA-O 3.27Å; P48-W85 VanDerWaalsContact CB-O 3.27Å; P48-W85 WeakPolarHBondContact CB-O 3.38Å; L63-W85 HydrophobicContact CD1-CE3 3.66Å; L63-W85 HydrophobicContact CD1-CZ3 3.79Å; H66-W85 AromaticContact CD2-CH2 3.74Å; H66-W85 AromaticContact CD2-CZ3 3.65Å; H66-W85 AromaticContact NE2-CH2 3.69Å; F67-W85 AromaticContact CE1-CZ3 3.79Å; F67-W85 HydrophobicContact CE1-CZ3 3.79Å; F81-W85 HydrophobicContact CB-CD2 4.45Å; F81-W85 HydrophobicContact CB-CE3 3.91Å; F81-W85 HydrophobicContact CB-CH2 4.03Å; F81-W85 HydrophobicContact CB-CZ3 3.7Å; F81-W85 AromaticContact CD1-CH2 3.74Å; F81-W85 HydrophobicContact CD1-CH2 3.74Å; F81-W85 AromaticContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ3 4.29Å; F81-W85 HydrophobicContact CE1-CH2 4.34Å; F81-W85 HydrophobicContact CE1-CZ2 4.24Å; F81-W85 AromaticContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CZ2 4.34Å; F81-W85 HydrophobicContact CG-CZ3 4.07Å; F81-W85 WeakPolarHBondContact O-CB 3.49Å; F81-W85 PolarHBondContact O-N 2.91Å; L82-W85 PolarHBondContact O-N 3.18Å; W85-G87 PolarHBondContact O-N 2.96Å
86V91.7Very high89.8Confident0 Ų075.8 Ų75.80%039%0.391CS..SBendtrans-61.1-14.2-173.875.70000114.5F49 W56 Y59 L82 T90 F91 L94F49-V86 HydrophobicContact CB-CG2 4.18Å; W56-V86 HydrophobicContact CH2-CG2 3.62Å; W56-V86 HydrophobicContact CZ3-CG2 3.59Å; Y59-V86 HydrophobicContact CE1-CG2 4.22Å; Y59-V86 WeakPolarHBondContact OH-CA 3.45Å; L82-V86 HydrophobicContact CD1-CB 4.44Å; L82-V86 HydrophobicContact CD1-CG2 4.45Å; L82-V86 VanDerWaalsContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 PolarHBondContact O-N 3.34Å; V86-T90 HydrophobicContact CB-CG2 4.5Å; V86-T90 HydrophobicContact CG1-CG2 4.5Å; V86-T90 HydrophobicContact CG2-CG2 3.36Å; V86-T90 PolarHBondContact O-OG1 2.96Å; V86-F91 HydrophobicContact CG1-CB 4.02Å; V86-L94 HydrophobicContact CG1-CD1 4.29Å
87G89.7Confident89.6Confident28 Ų2874.9 Ų74.929%0.28939%0.385SS..  trans87.9155-178.300000112.1W85 D89 T90 F91W85-G87 PolarHBondContact O-N 2.96Å; G87-D89 PolarHBondContact O-N 3.35Å; G87-T90 PolarHBondContact O-N 2.91Å; G87-F91 VanDerWaalsContact O-CB 3.31Å; G87-F91 WeakPolarHBondContact O-CB 3.31Å; G87-F91 PolarHBondContact O-N 3.26Å
88S89Confident89Confident90 Ų9076.2 Ų76.263%0.62939%0.394SS*.Hα-helixtrans-58.7-46.7-171.3-53.10000113.1T90 F91 E92S88-T90 PolarHBondContact O-N 3.19Å; S88-F91 WeakPolarHBondContact O-CB 3.48Å; S88-F91 PolarHBondContact O-N 2.83Å; S88-E92 PolarHBondContact O-N 3.39Å
89D89.2Confident87.7Confident139 Ų13977.1 Ų77.174%0.74341%0.409SS*.Hα-helixtrans-60.7-45-177.1-59.8-14.2000111.9G87 L93G87-D89 PolarHBondContact O-N 3.35Å; D89-L93 PolarHBondContact O-N 3.4Å
90T89.5Confident86.1Confident21 Ų2172.6 Ų72.613%0.12941%0.414CS..Hα-helixtrans-71.7-37.3178.5-42.30000111.1F49 W56 V86 G87 S88 L93 L94F49-T90 HydrophobicContact CD1-CG2 4.26Å; W56-T90 HydrophobicContact CH2-CG2 4.28Å; W56-T90 HydrophobicContact CZ3-CG2 3.87Å; V86-T90 HydrophobicContact CB-CG2 4.5Å; V86-T90 HydrophobicContact CG1-CG2 4.5Å; V86-T90 HydrophobicContact CG2-CG2 3.36Å; V86-T90 PolarHBondContact O-OG1 2.96Å; G87-T90 PolarHBondContact O-N 2.91Å; S88-T90 PolarHBondContact O-N 3.19Å; T90-L93 PolarHBondContact O-N 3.41Å; T90-L94 HydrophobicContact CG2-CD1 4.43Å; T90-L94 VanDerWaalsContact O-CG 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.33Å; T90-L94 PolarHBondContact O-N 2.89Å
91F89.3Confident84.3Confident69 Ų6977 Ų7730%0.30343%0.425SS..Hα-helixtrans-60.8-45175179.4-96.7000111.3L83 V86 G87 S88 L93 L94 Q95L83-F91 HydrophobicContact CB-CD2 4.11Å; L83-F91 HydrophobicContact CB-CE2 4.02Å; L83-F91 HydrophobicContact CD2-CD2 3.86Å; L83-F91 HydrophobicContact CD2-CE2 3.95Å; L83-F91 HydrophobicContact CG-CE2 4.37Å; V86-F91 HydrophobicContact CG1-CB 4.02Å; G87-F91 VanDerWaalsContact O-CB 3.31Å; G87-F91 WeakPolarHBondContact O-CB 3.31Å; G87-F91 PolarHBondContact O-N 3.26Å; S88-F91 WeakPolarHBondContact O-CB 3.48Å; S88-F91 PolarHBondContact O-N 2.83Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 2.86Å; F91-L94 PolarHBondContact O-N 3.22Å; F91-Q95 HydrophobicContact CD1-CG 4.2Å; F91-Q95 HydrophobicContact CE1-CG 3.79Å; F91-Q95 VanDerWaalsContact CE1-OE1 3.27Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.26Å; F91-Q95 PolarHBondContact O-N 2.77Å
92E89.2Confident82.2Confident95 Ų9583.3 Ų83.344%0.44446%0.455SS..Hα-helixtrans-61.8-40.6174.2-76.1-170.6-163.200112.5S88 Q95 K96S88-E92 PolarHBondContact O-N 3.39Å; E92-Q95 PolarHBondContact O-N 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.02Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 IonicContact OE2-NZ 3.61Å
93L88Confident80.1Confident100 Ų10086.2 Ų86.252%0.52447%0.469SS..Hα-helixtrans-61.9-46.5175.9-177.167.5000111D89 T90 F91 Q95 K96 L97D89-L93 PolarHBondContact O-N 3.4Å; T90-L93 PolarHBondContact O-N 3.41Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 2.86Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.8Å; L93-K96 PolarHBondContact O-N 3.07Å; L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.86Å
94L86.9Confident78Confident30 Ų3089.8 Ų89.816%0.15748%0.484CS..Hα-helixtrans-61.5-43.8175.7-67.9170.7000110.7L83 V86 T90 F91 K96 L97 F98L83-L94 HydrophobicContact CD2-CD1 4.13Å; V86-L94 HydrophobicContact CG1-CD1 4.29Å; T90-L94 HydrophobicContact CG2-CD1 4.43Å; T90-L94 VanDerWaalsContact O-CG 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.33Å; T90-L94 PolarHBondContact O-N 2.89Å; F91-L94 PolarHBondContact O-N 3.22Å; L94-K96 PolarHBondContact O-N 3.04Å; L94-L97 PolarHBondContact O-N 3.06Å; L94-F98 HydrophobicContact CB-CD2 4.33Å; L94-F98 HydrophobicContact CB-CE2 4.25Å; L94-F98 HydrophobicContact CD2-CE2 3.96Å; L94-F98 WeakPolarHBondContact O-CD2 3.03Å; L94-F98 PolarHBondContact O-N 2.83Å
95Q85.1Confident75.9Confident99 Ų9994.8 Ų94.846%0.46350%0.495SS..Hα-helixtrans-58.1-47.5174.3-76.4-165.3-5600111.1F91 E92 L93 L97 F98 S99F91-Q95 HydrophobicContact CD1-CG 4.2Å; F91-Q95 HydrophobicContact CE1-CG 3.79Å; F91-Q95 VanDerWaalsContact CE1-OE1 3.27Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.26Å; F91-Q95 PolarHBondContact O-N 2.77Å; E92-Q95 PolarHBondContact O-N 3.3Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.8Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.34Å; Q95-F98 PolarHBondContact O-N 3.5Å; Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.43Å; Q95-S99 PolarHBondContact O-N 3.46Å; Q95-S99 PolarHBondContact O-OG 2.87Å
96K86.8Confident73.6Confident142 Ų142101.1 Ų101.162%0.61753%0.53SS*.Hα-helixtrans-61.3-38.9178.5-73.2166.4-175.9159.70112.5E92 L93 L94E92-K96 WeakPolarHBondContact O-CG 3.02Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 IonicContact OE2-NZ 3.61Å; L93-K96 PolarHBondContact O-N 3.07Å; L94-K96 PolarHBondContact O-N 3.04Å
97L84.8Confident71.5Confident109 Ų109107.1 Ų107.157%0.57157%0.567SS**Hα-helixtrans-65.5-46.3177.8-72.8169.2000112.2L93 L94 Q95L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.06Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.34Å
98F78.4Confident69.1Low121 Ų121110.3 Ų110.353%0.53158%0.584SS.*Hα-helixtrans-85.8-21.7-177.9-62.7-62.5000113.5L94 Q95 G100 E101 I103L94-F98 HydrophobicContact CB-CD2 4.33Å; L94-F98 HydrophobicContact CB-CE2 4.25Å; L94-F98 HydrophobicContact CD2-CE2 3.96Å; L94-F98 WeakPolarHBondContact O-CD2 3.03Å; L94-F98 PolarHBondContact O-N 2.83Å; Q95-F98 PolarHBondContact O-N 3.5Å; F98-G100 PolarHBondContact O-N 3.3Å; F98-E101 PolarHBondContact O-N 2.97Å; F98-I103 HydrophobicContact CB-CD1 4.42Å; F98-I103 WeakPolarHBondContact O-CD1 3.44Å; F98-I103 WeakPolarHBondContact O-CG1 3.43Å
99S65.1Low66.6Low89 Ų89108.6 Ų108.662%0.62258%0.581SS**Hα-helixtrans-74.7-12.4176.1-57.90000112.4Q95Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.43Å; Q95-S99 PolarHBondContact O-N 3.46Å; Q95-S99 PolarHBondContact O-OG 2.87Å
100G56.7Low64.4Low71 Ų71107.9 Ų107.973%0.73259%0.594SS**THydrogen-bonded Turntrans-87.9-6.1175.300000115F98F98-G100 PolarHBondContact O-N 3.3Å
101E52.8Low62.2Low150 Ų150110.3 Ų110.370%0.70162%0.617SS**SBendtrans-118.490-179.3-148.3179.3-178.100108.1F98 I103F98-E101 PolarHBondContact O-N 2.97Å; E101-I103 WeakPolarHBondContact O-CG1 3.42Å; E101-I103 PolarHBondContact O-N 3.37Å
102E47.1Very low59.9Low171 Ų171117.4 Ų117.480%0.79964%0.641SS**  trans20.363.9162.3-156.1174.7-147.700116.2E104E102-E104 HydrophobicContact CG-CB 4.45Å; E102-E104 PolarHBondContact O-N 3.26Å
103I49.5Very low57.6Low91 Ų91123.4 Ų123.447%0.46766%0.66SS.*THydrogen-bonded Turntrans-79.249.8167.6-43.9-176.1000108.9F98 E101 L106 V107F98-I103 HydrophobicContact CB-CD1 4.42Å; F98-I103 WeakPolarHBondContact O-CD1 3.44Å; F98-I103 WeakPolarHBondContact O-CG1 3.43Å; E101-I103 WeakPolarHBondContact O-CG1 3.42Å; E101-I103 PolarHBondContact O-N 3.37Å; I103-L106 HydrophobicContact CG2-CB 4.37Å; I103-V107 HydrophobicContact CG2-CB 4.41Å; I103-V107 HydrophobicContact CG2-CG2 3.89Å
104E45.7Very low55.5Low153 Ų153121.6 Ų121.672%0.71567%0.665SS**THydrogen-bonded Turntrans-87.4-13.7162.8-98.5-152.5154.800111.9E102E102-E104 HydrophobicContact CG-CB 4.45Å; E102-E104 PolarHBondContact O-N 3.26Å
105F46.5Very low53.7Low195 Ų195126 Ų12686%0.85570%0.696SS**SBendtrans-100.6-16.1-172.7-142-94.4000116.1
106L44.1Very low51.6Low160 Ų160130.6 Ų130.684%0.83872%0.717SS**SBendtrans-114.8-12.7-169.6-109.4145.9000115.3I103I103-L106 HydrophobicContact CG2-CB 4.37Å
107V47.2Very low49.9Very low127 Ų127130.9 Ų130.977%0.7773%0.725SS**SBendtrans-118.7-13179.5178.30000112.5I103I103-V107 HydrophobicContact CG2-CB 4.41Å; I103-V107 HydrophobicContact CG2-CG2 3.89Å
108S40.2Very low48.1Very low94 Ų94130.6 Ų130.666%0.65773%0.73SS**SBendtrans-112.487.6178.5-1620000112
109G36.6Very low46.7Very low54 Ų54136.6 Ų136.656%0.55775%0.749SS**  trans68.2100.3158.900000116.7A111G109-A111 PolarHBondContact O-N 2.95Å
110A44Very low46.2Very low124 Ų124138.7 Ų138.7100%1.02576%0.757SS**SBend37.4-4.371.500000117.9
111A41.9Very low45.9Very low73 Ų73139 Ų13960%0.60375%0.753SS**  trans-164.690.3-177.700000111.9G109G109-A111 PolarHBondContact O-N 2.95Å
112R42.2Very low45.7Very low218 Ų218136.7 Ų136.782%0.82376%0.76SS**  trans174.9111.8135.4-95162.1-140.9-112.26.2111.2
113R40.9Very low46Very low220 Ų220134.3 Ų134.383%0.8376%0.757SS**  trans48.6105.7142.4-72.4-176.7-114.1-178.1-3.9116.9
114G42.4Very low45.9Very low62 Ų62141.1 Ų141.164%0.63978%0.777SS**  trans-50.4151.7162.900000112.3Q116G114-Q116 VanDerWaalsContact C-N 3.33Å; G114-Q116 PolarHBondContact O-N 3.39Å
115P49.2Very low46.7Very low124 Ų124139.7 Ų139.781%0.80578%0.778SS**  trans-69.299.3169.329-28.2000106.6L117P115-L117 PolarHBondContact O-N 3.45Å
116Q42.6Very low47.4Very low194 Ų194135.6 Ų135.691%0.90777%0.771SS**  trans-61.592.9155-80.6-148.885.400106.4G114G114-Q116 VanDerWaalsContact C-N 3.33Å; G114-Q116 PolarHBondContact O-N 3.39Å
117L50.7Low48Very low148 Ų148132.5 Ų132.578%0.77577%0.769SS**  trans-55.9130.6161.6-83.1158.5000107.2P115 R119P115-L117 PolarHBondContact O-N 3.45Å; L117-R119 PolarHBondContact O-N 3.24Å
118P47Very low49Very low104 Ų104133.1 Ų133.168%0.67577%0.773SS**  trans-59.5128-179.724.6-31.2000108.2V120P118-V120 PolarHBondContact O-N 2.73Å
119R47.4Very low50.1Low247 Ų247137 Ų13793%0.93278%0.781SS**  trans-55.795.4162.7-83.8175.473.6175.62.9106.6L117 A121L117-R119 PolarHBondContact O-N 3.24Å; R119-A121 PolarHBondContact O-N 2.59Å
120V55Low51.5Low132 Ų132140.5 Ų140.580%0.879%0.793SS**  trans-60.5112.3165.2176.80000105P118 A122P118-V120 PolarHBondContact O-N 2.73Å; V120-A122 PolarHBondContact O-N 2.81Å
121A51.1Low52.3Low77 Ų77146.9 Ų146.964%0.63680%0.801SS**  trans-50.2129.9177.300000108.8R119 T123R119-A121 PolarHBondContact O-N 2.59Å; A121-T123 PolarHBondContact O-N 3.43Å
122A48.1Very low52.9Low102 Ų102150.6 Ų150.684%0.84381%0.811SS**  trans-60.390.3169.600000108.7V120 R124V120-A122 PolarHBondContact O-N 2.81Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-R124 VanDerWaalsContact O-N 3.07Å
123T53.3Low53.4Low121 Ų121147.1 Ų147.174%0.74281%0.811SS**  trans-75.995.5164.8-58.50000106.9A121 V125A121-T123 PolarHBondContact O-N 3.43Å; T123-V125 PolarHBondContact O-N 3.37Å
124R48.8Very low54.1Low235 Ų235143 Ų14389%0.88781%0.81SS**  trans-56.9100168.9-173.9-179.6178.4-167.2-0.6108.8A122A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-R124 VanDerWaalsContact O-N 3.07Å
125V61.8Low54.8Low122 Ų122147.8 Ų147.874%0.73982%0.82SS**PPolyproline II helixtrans-74.8126.4168-179.60000107.8T123T123-V125 PolarHBondContact O-N 3.37Å
126P60.4Low55.2Low109 Ų109149.3 Ų149.371%0.70882%0.82SS**PPolyproline II helixtrans-73.7138.5178.129.1-31.1000110.6V128P126-V128 PolarHBondContact O-N 3.03Å
127A57.3Low56Low96 Ų96146.3 Ų146.379%0.79382%0.815SS**PPolyproline II helixtrans-60.3122.2175.700000110.9
128V67.2Low56.4Low140 Ų140146.1 Ų146.185%0.84882%0.818SS**  trans-80.9112.4161.7169.20000106.8P126P126-V128 PolarHBondContact O-N 3.03Å
129Q64.2Low57.1Low176 Ų176149.4 Ų149.482%0.82283%0.829SS**  trans-68139.5168.6-76.6-179.248.300109.6
130P67Low57.9Low127 Ų127141.3 Ų141.383%0.82582%0.82SS**  trans-75.2137167.531.8-30.1000109.5
131H60.8Low58.2Low258 Ų258142.1 Ų142.1100%1.19482%0.822SS**  trans-91.50175.1-143.6-52.9000111.2

Retrieved 131 of 131 residues in 561.7 ms (Link to these results)