A0A077ZKW3_TRITR Loading...

Retrotransposon gag domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M41.5Very low72.1Confident222 Ų222106.7 Ų106.7100%1.09452%0.515SS*.  0117.20-166.1163.1178.100106.4E3M1-E3 PolarHBondContact O-N 3.45Å
2F51.1Low74Confident217 Ų21799.6 Ų99.695%0.95248%0.479SS*.  trans-86105.6176.5-80.6-85.7000108.1
3E54.1Low75.6Confident166 Ų16695.2 Ų95.278%0.77646%0.455SS*.PPolyproline II helixtrans-82.9118.4170.5-70.4179.2-174.700108.4M1M1-E3 PolarHBondContact O-N 3.45Å
4R58.8Low77Confident217 Ų21795.2 Ų95.282%0.81945%0.448SS*.PPolyproline II helixtrans-63.6124.2173.8172.1168.155.6-121.2-2.2107.4V6R4-V6 PolarHBondContact O-N 3.33Å
5P66.7Low78.3Confident120 Ų12091.7 Ų91.778%0.77943%0.433SS*.PPolyproline II helixtrans-56.3119.8178.121.5-31.3000108.5N7P5-N7 PolarHBondContact O-N 2.67Å
6V69Low79.3Confident90 Ų9089.5 Ų89.555%0.54544%0.435SS..PPolyproline II helixtrans-71.3124.9179.9-1790000107.2R4 E8 E39R4-V6 PolarHBondContact O-N 3.33Å; V6-E8 PolarHBondContact O-N 3.35Å; V6-E39 WeakPolarHBondContact CG1-O 3.36Å
7N84.4Confident80.3Confident38 Ų3887 Ų8720%0.20343%0.426CS..  trans-74.496.9170.3-174.5-24.3000108P5 V9 H10 A11 L73 S75P5-N7 PolarHBondContact O-N 2.67Å; N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 WeakPolarHBondContact OD1-CB 3.48Å; N7-V9 PolarHBondContact OD1-N 3.46Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; N7-H10 HydrophobicContact CB-CB 3.8Å; N7-H10 WeakPolarHBondContact O-CB 3.33Å; N7-H10 PolarHBondContact O-N 3.28Å; N7-H10 VanDerWaalsContact O-N 3.07Å; N7-H10 PolarHBondContact OD1-N 3.29Å; N7-H10 VanDerWaalsContact OD1-N 3.09Å; N7-A11 PolarHBondContact O-N 3.2Å; N7-L73 PolarHBondContact ND2-O 2.65Å; N7-S75 PolarHBondContact ND2-O 3.29Å
8E89Confident81.2Confident22 Ų2285.1 Ų85.110%0.10341%0.414CS..Hα-helixtrans-55.4-40.2-179-64.6-175.8168.400111.5V6 H10 A11 R12 N41 K43V6-E8 PolarHBondContact O-N 3.35Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 3.29Å; E8-A11 PolarHBondContact O-N 3.1Å; E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 WeakPolarHBondContact O-CG 3.43Å; E8-R12 PolarHBondContact O-N 3.5Å; E8-N41 HydrophobicContact CG-CB 4.25Å; E8-N41 PolarHBondContact OE1-ND2 3.41Å; E8-K43 IonicContact OE2-NZ 3.24Å
9V92.1Very high82Confident2 Ų288.6 Ų88.61%0.01243%0.427CS..Hα-helixtrans-62.9-42.1178.7-176.70000110.4N7 Y13 V60 L83N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 WeakPolarHBondContact OD1-CB 3.48Å; N7-V9 PolarHBondContact OD1-N 3.46Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; V9-Y13 VanDerWaalsContact O-CB 3.22Å; V9-Y13 WeakPolarHBondContact O-CB 3.28Å; V9-Y13 PolarHBondContact O-N 3.22Å; V9-V60 HydrophobicContact CG1-CB 4.44Å; V9-V60 HydrophobicContact CG1-CG1 4.22Å; V9-V60 HydrophobicContact CG1-CG2 3.88Å; V9-L83 HydrophobicContact CG1-CD1 4.31Å; V9-L83 HydrophobicContact CG2-CD1 4.07Å
10H93.7Very high82.8Confident77 Ų7788.6 Ų88.636%0.35643%0.426SS..Hα-helixtrans-64.7-46.7176.4-175.480.8000112.4N7 E8 R12 Y13 R14 L73N7-H10 HydrophobicContact CB-CB 3.8Å; N7-H10 WeakPolarHBondContact O-CB 3.33Å; N7-H10 PolarHBondContact O-N 3.28Å; N7-H10 VanDerWaalsContact O-N 3.07Å; N7-H10 PolarHBondContact OD1-N 3.29Å; N7-H10 VanDerWaalsContact OD1-N 3.09Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 3.29Å; H10-R12 PolarHBondContact O-N 3.4Å; H10-Y13 PolarHBondContact O-N 2.94Å; H10-R14 WeakPolarHBondContact NE2-CD 3.3Å; H10-R14 WeakPolarHBondContact O-CG 3.41Å; H10-R14 PolarHBondContact O-N 3.49Å; H10-L73 HydrophobicContact CB-CD2 4.39Å
11A93.3Very high83.5Confident3 Ų389.7 Ų89.73%0.02543%0.434CS..Hα-helixtrans-60.5-46.3178.300000111.5N7 E8 R14 L15 E39N7-A11 PolarHBondContact O-N 3.2Å; E8-A11 PolarHBondContact O-N 3.1Å; A11-R14 WeakPolarHBondContact O-CB 3.41Å; A11-R14 PolarHBondContact O-N 3.47Å; A11-L15 PolarHBondContact O-N 3.02Å; A11-L15 VanDerWaalsContact O-N 3.07Å; A11-E39 HydrophobicContact CB-CB 3.97Å; A11-E39 WeakPolarHBondContact CB-O 3.38Å
12R94.6Very high86.1Confident21 Ų2184.5 Ų84.58%0.07943%0.426CS..Hα-helixtrans-66.1-38.1177.4-69.8-167.7-177-162.94.3112.7E8 H10 R14 L15 A16 C40 E53 D57E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 WeakPolarHBondContact O-CG 3.43Å; E8-R12 PolarHBondContact O-N 3.5Å; H10-R12 PolarHBondContact O-N 3.4Å; R12-R14 PolarHBondContact O-N 3.41Å; R12-L15 PolarHBondContact O-N 3.41Å; R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.98Å; R12-C40 HydrophobicContact CG-CB 4Å; R12-E53 IonicContact CZ-OE2 2.82Å; R12-E53 VanDerWaalsContact CZ-OE2 3.24Å; R12-E53 IonicContact NH1-OE2 3.55Å; R12-E53 PolarHBondContact NH1-OE2 3.23Å; R12-E53 IonicContact NH2-OE2 3.29Å; R12-E53 PolarHBondContact NH2-OE2 2.84Å; R12-D57 WeakPolarHBondContact CD-OD2 3.08Å; R12-D57 IonicContact CZ-OD2 2.73Å; R12-D57 IonicContact NE-OD2 2.98Å; R12-D57 IonicContact NH1-OD2 2.89Å; R12-D57 PolarHBondContact NH1-OD2 3.08Å
13Y95.1Very high88.3Confident43 Ų4378.3 Ų78.317%0.16942%0.423CS..Hα-helixtrans-60-44.8173.2171.8-96.1000111.6V9 H10 L15 A16 T17 V60 R69 L73V9-Y13 VanDerWaalsContact O-CB 3.22Å; V9-Y13 WeakPolarHBondContact O-CB 3.28Å; V9-Y13 PolarHBondContact O-N 3.22Å; H10-Y13 PolarHBondContact O-N 2.94Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.76Å; Y13-A16 PolarHBondContact O-N 3.1Å; Y13-T17 HydrophobicContact CD2-CG2 3.78Å; Y13-T17 HydrophobicContact CE1-CG2 4.3Å; Y13-T17 HydrophobicContact CE2-CG2 3.36Å; Y13-T17 HydrophobicContact CG-CG2 4.4Å; Y13-T17 WeakPolarHBondContact O-CB 3.3Å; Y13-T17 WeakPolarHBondContact O-CG2 3.33Å; Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 3.31Å; Y13-V60 HydrophobicContact CD2-CG1 4.05Å; Y13-R69 HydrophobicContact CE2-CG 4.29Å; Y13-R69 WeakPolarHBondContact OH-CD 3.25Å; Y13-R69 PolarHBondContact OH-NH1 3.33Å; Y13-L73 HydrophobicContact CD1-CD1 3.73Å; Y13-L73 HydrophobicContact CD1-CD2 3.91Å; Y13-L73 HydrophobicContact CD2-CD2 4.35Å; Y13-L73 HydrophobicContact CE1-CD1 3.77Å; Y13-L73 HydrophobicContact CG-CD1 4.14Å; Y13-L73 HydrophobicContact CG-CD2 3.69Å
14R95.3Very high90.3Very high95 Ų9572 Ų7236%0.35839%0.394SS..Hα-helixtrans-59.5-44.7176.2-71.8178.969.1-155.81.6111.5H10 A11 R12 R18 L36 E39H10-R14 WeakPolarHBondContact NE2-CD 3.3Å; H10-R14 WeakPolarHBondContact O-CG 3.41Å; H10-R14 PolarHBondContact O-N 3.49Å; A11-R14 WeakPolarHBondContact O-CB 3.41Å; A11-R14 PolarHBondContact O-N 3.47Å; R12-R14 PolarHBondContact O-N 3.41Å; R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 PolarHBondContact O-N 3.47Å; R14-R18 VanDerWaalsContact O-N 3.14Å; R14-L36 HydrophobicContact CB-CD2 4.31Å; R14-E39 IonicContact CZ-OE2 3.66Å; R14-E39 VanDerWaalsContact NH1-CD 3.33Å; R14-E39 IonicContact NH1-OE1 3.89Å; R14-E39 PolarHBondContact NH1-OE1 3.4Å; R14-E39 VanDerWaalsContact NH1-OE1 3.1Å; R14-E39 IonicContact NH1-OE2 2.7Å; R14-E39 PolarHBondContact NH1-OE2 3.48Å
15L96.1Very high92.2Very high43 Ų4363.6 Ų63.623%0.22537%0.368CS..Hα-helixtrans-62.2-48.6176.5-179.664.9000111.8A11 R12 Y13 T17 L33 L36 F42A11-L15 PolarHBondContact O-N 3.02Å; A11-L15 VanDerWaalsContact O-N 3.07Å; R12-L15 PolarHBondContact O-N 3.41Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.76Å; L15-T17 PolarHBondContact O-N 2.9Å; L15-L33 HydrophobicContact CD1-CB 4.24Å; L15-L33 HydrophobicContact CD1-CD2 3.95Å; L15-L33 WeakPolarHBondContact CD1-O 3.42Å; L15-L36 HydrophobicContact CB-CB 4.37Å; L15-L36 HydrophobicContact CD1-CB 3.98Å; L15-F42 HydrophobicContact CD2-CZ 4.24Å
16A94.8Very high93.7Very high56 Ų5663.2 Ų63.246%0.46336%0.359SS..Hα-helixtrans-68.8-31.6-17600000113.5R12 Y13R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.98Å; Y13-A16 PolarHBondContact O-N 3.1Å
17T95.4Very high95.1Very high47 Ų4765 Ų6529%0.28836%0.362SS..Hα-helixtrans-94.2-7.8-178.258.10000114.1Y13 L15 K19Y13-T17 HydrophobicContact CD2-CG2 3.78Å; Y13-T17 HydrophobicContact CE1-CG2 4.3Å; Y13-T17 HydrophobicContact CE2-CG2 3.36Å; Y13-T17 HydrophobicContact CG-CG2 4.4Å; Y13-T17 WeakPolarHBondContact O-CB 3.3Å; Y13-T17 WeakPolarHBondContact O-CG2 3.33Å; Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 3.31Å; L15-T17 PolarHBondContact O-N 2.9Å; T17-K19 PolarHBondContact O-N 3.38Å
18R96.8Very high95.7Very high53 Ų5366.5 Ų66.520%0.237%0.369CS..  trans-61.1124.2174.8-175.849.8166.586.15.5109.5R14 E24 Y29 L33 L36R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 PolarHBondContact O-N 3.47Å; R14-R18 VanDerWaalsContact O-N 3.14Å; R18-E24 IonicContact CZ-OE1 3.98Å; R18-E24 IonicContact CZ-OE2 2.75Å; R18-E24 IonicContact NH1-OE1 2.98Å; R18-E24 IonicContact NH1-OE2 3.96Å; R18-E24 PolarHBondContact NH1-OE2 3Å; R18-E24 IonicContact NH2-OE1 2.64Å; R18-E24 PolarHBondContact NH2-OE1 2.78Å; R18-E24 IonicContact NH2-OE2 3.1Å; R18-E24 PolarHBondContact NH2-OE2 3.34Å; R18-Y29 HydrophobicContact CG-CE2 4.01Å; R18-Y29 PolarHBondContact O-OH 3.44Å; R18-L33 HydrophobicContact CB-CD2 3.87Å; R18-L33 HydrophobicContact CG-CD2 3.84Å; R18-L36 HydrophobicContact CB-CD1 3.89Å; R18-L36 HydrophobicContact CG-CD1 3.89Å
19K97Very high96.1Very high152 Ų15267.7 Ų67.766%0.66137%0.373SS*.  trans-115.9142.8175-59.3-56.4-178.4-171.40109.4T17 L21T17-K19 PolarHBondContact O-N 3.38Å; K19-L21 PolarHBondContact O-N 3.48Å
20Q98Very high96.4Very high88 Ų8870.9 Ų70.941%0.41139%0.393SS..PPolyproline II helixtrans-57.3134.5176.7-173.11779.200110.5E24 Y29Q20-E24 WeakPolarHBondContact CA-OE2 3.39Å; Q20-E24 HydrophobicContact CG-CB 4.19Å; Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-O 2.88Å; Q20-Y29 HydrophobicContact CB-CD1 4.22Å; Q20-Y29 HydrophobicContact CB-CD2 3.87Å; Q20-Y29 HydrophobicContact CB-CE1 4.32Å; Q20-Y29 HydrophobicContact CB-CE2 3.98Å; Q20-Y29 HydrophobicContact CB-CG 3.99Å; Q20-Y29 HydrophobicContact CG-CD1 4.48Å; Q20-Y29 HydrophobicContact CG-CD2 4.25Å; Q20-Y29 HydrophobicContact CG-CG 4.06Å; Q20-Y29 VanDerWaalsContact N-CE2 3.27Å
21L96.6Very high96.6Very high112 Ų11274.5 Ų74.559%0.58640%0.403SS*.PPolyproline II helixtrans-81156.7178.6-58.5174.9000111K19 G23 E24K19-L21 PolarHBondContact O-N 3.48Å; L21-G23 PolarHBondContact O-N 3.38Å; L21-E24 HydrophobicContact CB-CB 4Å; L21-E24 PolarHBondContact N-OE2 3.42Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.28Å; L21-E24 VanDerWaalsContact O-N 3.13Å
22A96.9Very high96.8Very high112 Ų11275.6 Ų75.693%0.92641%0.412SS*.THydrogen-bonded Turntrans-62.5121.5172.400000110.1E24A22-E24 VanDerWaalsContact C-N 3.35Å
23G96.7Very high96.9Very high88 Ų8876.6 Ų76.691%0.90742%0.419SS*.THydrogen-bonded Turntrans84.4-0.8-177.700000115.4L21L21-G23 PolarHBondContact O-N 3.38Å
24E96.9Very high97Very high34 Ų3481.3 Ų81.316%0.15944%0.441CS..  trans-75.1127.9173.6-178.3174.3-139.500110.3R18 Q20 L21 A22 D28R18-E24 IonicContact CZ-OE1 3.98Å; R18-E24 IonicContact CZ-OE2 2.75Å; R18-E24 IonicContact NH1-OE1 2.98Å; R18-E24 IonicContact NH1-OE2 3.96Å; R18-E24 PolarHBondContact NH1-OE2 3Å; R18-E24 IonicContact NH2-OE1 2.64Å; R18-E24 PolarHBondContact NH2-OE1 2.78Å; R18-E24 IonicContact NH2-OE2 3.1Å; R18-E24 PolarHBondContact NH2-OE2 3.34Å; Q20-E24 WeakPolarHBondContact CA-OE2 3.39Å; Q20-E24 HydrophobicContact CG-CB 4.19Å; Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-O 2.88Å; L21-E24 HydrophobicContact CB-CB 4Å; L21-E24 PolarHBondContact N-OE2 3.42Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.28Å; L21-E24 VanDerWaalsContact O-N 3.13Å; A22-E24 VanDerWaalsContact C-N 3.35Å; E24-D28 HydrophobicContact CG-CB 3.95Å
25S97.9Very high97Very high40 Ų4079.8 Ų79.828%0.2845%0.448SS..  trans-66158.4174.6740000111.3E27 D28 Y29S25-E27 VanDerWaalsContact C-N 3.25Å; S25-E27 PolarHBondContact O-N 3.31Å; S25-D28 PolarHBondContact O-N 2.85Å; S25-D28 VanDerWaalsContact OG-CB 3.31Å; S25-D28 WeakPolarHBondContact OG-CB 3.33Å; S25-D28 PolarHBondContact OG-N 3.17Å; S25-D28 VanDerWaalsContact OG-N 3.08Å; S25-D28 PolarHBondContact OG-OD2 2.9Å; S25-Y29 WeakPolarHBondContact O-CB 3.49Å; S25-Y29 PolarHBondContact O-N 3.26Å
26L97.8Very high97Very high112 Ų11278.7 Ų78.759%0.58644%0.443SS*.Hα-helixtrans-63.4-37178-68.3174.4000111.2Y29 V30L26-Y29 PolarHBondContact O-N 3.43Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.02Å
27E97.9Very high96.9Very high127 Ų12777.9 Ų77.959%0.59343%0.433SS*.Hα-helixtrans-65.3-43.1178.3-63.475.2-168.800111.4S25 R31S25-E27 VanDerWaalsContact C-N 3.25Å; S25-E27 PolarHBondContact O-N 3.31Å; E27-R31 VanDerWaalsContact O-CB 3.3Å; E27-R31 WeakPolarHBondContact O-CB 3.3Å; E27-R31 PolarHBondContact O-N 2.94Å
28D97.8Very high96.8Very high69 Ų6979.7 Ų79.737%0.36945%0.453SS..Hα-helixtrans-66.3-42.7176.2-65-32.8000110.9E24 S25 R31 A32E24-D28 HydrophobicContact CG-CB 3.95Å; S25-D28 PolarHBondContact O-N 2.85Å; S25-D28 VanDerWaalsContact OG-CB 3.31Å; S25-D28 WeakPolarHBondContact OG-CB 3.33Å; S25-D28 PolarHBondContact OG-N 3.17Å; S25-D28 VanDerWaalsContact OG-N 3.08Å; S25-D28 PolarHBondContact OG-OD2 2.9Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 3.96Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 2.88Å; D28-R31 IonicContact OD1-NH2 3.85Å; D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.38Å
29Y98.3Very high96.4Very high48 Ų4881 Ų8119%0.18846%0.462CS..Hα-helixtrans-60.7-47.8176.6-179-123000111.8R18 Q20 S25 L26 R31 A32 L33R18-Y29 HydrophobicContact CG-CE2 4.01Å; R18-Y29 PolarHBondContact O-OH 3.44Å; Q20-Y29 HydrophobicContact CB-CD1 4.22Å; Q20-Y29 HydrophobicContact CB-CD2 3.87Å; Q20-Y29 HydrophobicContact CB-CE1 4.32Å; Q20-Y29 HydrophobicContact CB-CE2 3.98Å; Q20-Y29 HydrophobicContact CB-CG 3.99Å; Q20-Y29 HydrophobicContact CG-CD1 4.48Å; Q20-Y29 HydrophobicContact CG-CD2 4.25Å; Q20-Y29 HydrophobicContact CG-CG 4.06Å; Q20-Y29 VanDerWaalsContact N-CE2 3.27Å; S25-Y29 WeakPolarHBondContact O-CB 3.49Å; S25-Y29 PolarHBondContact O-N 3.26Å; L26-Y29 PolarHBondContact O-N 3.43Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 3.37Å; Y29-A32 WeakPolarHBondContact O-CB 3.37Å; Y29-A32 PolarHBondContact O-N 2.91Å; Y29-L33 HydrophobicContact CD1-CD1 4.05Å; Y29-L33 HydrophobicContact CD2-CG 4.47Å; Y29-L33 HydrophobicContact CE1-CD1 3.6Å; Y29-L33 HydrophobicContact CE1-CG 4.35Å; Y29-L33 HydrophobicContact CE2-CD1 4.26Å; Y29-L33 HydrophobicContact CE2-CD2 4.21Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.12Å; Y29-L33 PolarHBondContact O-N 3.43Å
30V97.7Very high96.1Very high69 Ų6973.8 Ų73.842%0.41843%0.43SS..Hα-helixtrans-63.8-38.5176.11710000111.4L26 A32 L33 K34L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.02Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-L33 PolarHBondContact O-N 3.32Å; V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; V30-K34 WeakPolarHBondContact O-CB 3.37Å; V30-K34 WeakPolarHBondContact O-CG 3.36Å; V30-K34 PolarHBondContact O-N 3.03Å
31R97.5Very high95.6Very high152 Ų15274 Ų7457%0.57443%0.434SS*.Hα-helixtrans-61.4-43.5174.9-170-176.9-57.6115.66.2111.1E27 D28 Y29 K34 A35E27-R31 VanDerWaalsContact O-CB 3.3Å; E27-R31 WeakPolarHBondContact O-CB 3.3Å; E27-R31 PolarHBondContact O-N 2.94Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 3.96Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 2.88Å; D28-R31 IonicContact OD1-NH2 3.85Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 3.37Å; R31-K34 PolarHBondContact O-N 3.4Å; R31-A35 PolarHBondContact O-N 3.35Å
32A96.9Very high95.2Very high26 Ų2674.9 Ų74.922%0.21543%0.433CS..Hα-helixtrans-63.9-43.4176.200000112D28 Y29 V30 K34 A35 L36D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.38Å; Y29-A32 WeakPolarHBondContact O-CB 3.37Å; Y29-A32 PolarHBondContact O-N 2.91Å; V30-A32 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.22Å; A32-A35 PolarHBondContact O-N 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.26Å
33L97.6Very high94.9Very high43 Ų4375 Ų7523%0.22541%0.413CS..Hα-helixtrans-61.3-43.5175-69.4176.7000111.8L15 R18 Y29 V30 A35 L36 S37L15-L33 HydrophobicContact CD1-CB 4.24Å; L15-L33 HydrophobicContact CD1-CD2 3.95Å; L15-L33 WeakPolarHBondContact CD1-O 3.42Å; R18-L33 HydrophobicContact CB-CD2 3.87Å; R18-L33 HydrophobicContact CG-CD2 3.84Å; Y29-L33 HydrophobicContact CD1-CD1 4.05Å; Y29-L33 HydrophobicContact CD2-CG 4.47Å; Y29-L33 HydrophobicContact CE1-CD1 3.6Å; Y29-L33 HydrophobicContact CE1-CG 4.35Å; Y29-L33 HydrophobicContact CE2-CD1 4.26Å; Y29-L33 HydrophobicContact CE2-CD2 4.21Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.12Å; Y29-L33 PolarHBondContact O-N 3.43Å; V30-L33 PolarHBondContact O-N 3.32Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.16Å; L33-L36 PolarHBondContact O-N 2.99Å; L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.66Å
34K96.7Very high94.8Very high142 Ų14276 Ų7662%0.61741%0.413SS*.Hα-helixtrans-61-41.3175.3-76.2-179.8177.9-178.60112.1V30 R31 A32 S37 A38V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; V30-K34 WeakPolarHBondContact O-CB 3.37Å; V30-K34 WeakPolarHBondContact O-CG 3.36Å; V30-K34 PolarHBondContact O-N 3.03Å; R31-K34 PolarHBondContact O-N 3.4Å; A32-K34 PolarHBondContact O-N 3.22Å; K34-S37 WeakPolarHBondContact CA-OG 3.41Å; K34-S37 PolarHBondContact O-N 3.4Å; K34-S37 PolarHBondContact O-OG 3.42Å; K34-A38 PolarHBondContact O-N 2.97Å
35A95.5Very high94.6Very high63 Ų6376.5 Ų76.552%0.52142%0.418SS..Hα-helixtrans-61.5-45176.100000111.9R31 A32 L33 S37 A38R31-A35 PolarHBondContact O-N 3.35Å; A32-A35 PolarHBondContact O-N 3.26Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.16Å; A35-S37 VanDerWaalsContact C-N 3.32Å; A35-S37 PolarHBondContact O-N 3.16Å; A35-A38 WeakPolarHBondContact O-CB 3.41Å; A35-A38 PolarHBondContact O-N 3.17Å
36L95.3Very high94.6Very high20 Ų2078.5 Ų78.511%0.10543%0.429CS..Hα-helixtrans-64.8-36.1175.1-67.8172.3000112.4R14 L15 R18 A32 L33 A38 E39 C40R14-L36 HydrophobicContact CB-CD2 4.31Å; L15-L36 HydrophobicContact CB-CB 4.37Å; L15-L36 HydrophobicContact CD1-CB 3.98Å; R18-L36 HydrophobicContact CB-CD1 3.89Å; R18-L36 HydrophobicContact CG-CD1 3.89Å; A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 2.99Å; L36-A38 PolarHBondContact O-N 3.18Å; L36-E39 PolarHBondContact O-N 3.49Å; L36-E39 VanDerWaalsContact O-N 3.16Å; L36-C40 PolarHBondContact O-SG 2.97Å
37S94Very high94.5Very high38 Ų3877.2 Ų77.227%0.26644%0.435SS..Hα-helixtrans-63.5-29.5179.683.10000112.6L33 K34 A35 E39 C40 F42L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.66Å; K34-S37 WeakPolarHBondContact CA-OG 3.41Å; K34-S37 PolarHBondContact O-N 3.4Å; K34-S37 PolarHBondContact O-OG 3.42Å; A35-S37 VanDerWaalsContact C-N 3.32Å; A35-S37 PolarHBondContact O-N 3.16Å; S37-E39 PolarHBondContact O-N 3.44Å; S37-C40 WeakPolarHBondContact O-CB 3.36Å; S37-C40 PolarHBondContact O-N 2.8Å; S37-C40 VanDerWaalsContact O-N 3.11Å; S37-F42 VanDerWaalsContact O-CE2 3.22Å; S37-F42 WeakPolarHBondContact O-CE2 3.36Å
38A92Very high94.5Very high86 Ų8675.3 Ų75.371%0.71144%0.435SS*.THydrogen-bonded Turntrans-64.4-24.5177.300000112.9K34 A35 L36K34-A38 PolarHBondContact O-N 2.97Å; A35-A38 WeakPolarHBondContact O-CB 3.41Å; A35-A38 PolarHBondContact O-N 3.17Å; L36-A38 PolarHBondContact O-N 3.18Å
39E88.8Confident94.3Very high81 Ų8176.5 Ų76.538%0.37944%0.439SS..THydrogen-bonded Turntrans-83.1-12.3177.6-58.2177.1-147.700113V6 A11 R14 L36 S37 N41V6-E39 WeakPolarHBondContact CG1-O 3.36Å; A11-E39 HydrophobicContact CB-CB 3.97Å; A11-E39 WeakPolarHBondContact CB-O 3.38Å; R14-E39 IonicContact CZ-OE2 3.66Å; R14-E39 VanDerWaalsContact NH1-CD 3.33Å; R14-E39 IonicContact NH1-OE1 3.89Å; R14-E39 PolarHBondContact NH1-OE1 3.4Å; R14-E39 VanDerWaalsContact NH1-OE1 3.1Å; R14-E39 IonicContact NH1-OE2 2.7Å; R14-E39 PolarHBondContact NH1-OE2 3.48Å; L36-E39 PolarHBondContact O-N 3.49Å; L36-E39 VanDerWaalsContact O-N 3.16Å; S37-E39 PolarHBondContact O-N 3.44Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.08Å
40C90.3Very high94.2Very high0 Ų080.3 Ų80.30%045%0.454CS..SBendtrans-81.1-2.8-169.1-66.80000115.2R12 L36 S37 F42R12-C40 HydrophobicContact CG-CB 4Å; L36-C40 PolarHBondContact O-SG 2.97Å; S37-C40 WeakPolarHBondContact O-CB 3.36Å; S37-C40 PolarHBondContact O-N 2.8Å; S37-C40 VanDerWaalsContact O-N 3.11Å; C40-F42 HydrophobicContact CB-CD2 4.21Å; C40-F42 HydrophobicContact CB-CE1 4.17Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 3.63Å; C40-F42 PolarHBondContact O-N 2.67Å
41N87.6Confident94.1Very high93 Ų9383.3 Ų83.350%0.49746%0.463SS..  trans49.456.7-179.7-165.734.8000114E8 E39 K43E8-N41 HydrophobicContact CG-CB 4.25Å; E8-N41 PolarHBondContact OE1-ND2 3.41Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.08Å; N41-K43 PolarHBondContact O-N 3.3Å
42F88.6Confident94Very high129 Ų12980.2 Ų80.257%0.56646%0.455SS*.  trans-65.2131.8178.3-64.4-69.5000111.6L15 S37 C40L15-F42 HydrophobicContact CD2-CZ 4.24Å; S37-F42 VanDerWaalsContact O-CE2 3.22Å; S37-F42 WeakPolarHBondContact O-CE2 3.36Å; C40-F42 HydrophobicContact CB-CD2 4.21Å; C40-F42 HydrophobicContact CB-CE1 4.17Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 3.63Å; C40-F42 PolarHBondContact O-N 2.67Å
43K91Very high93.9Very high114 Ų11480 Ų8050%0.49645%0.45SS..  trans-135.3156.7179.466.9-161.7175.6-160.50110.3E8 N41 V45E8-K43 IonicContact OE2-NZ 3.24Å; N41-K43 PolarHBondContact O-N 3.3Å; K43-V45 HydrophobicContact CD-CG1 4.45Å; K43-V45 HydrophobicContact CG-CG1 3.71Å; K43-V45 PolarHBondContact O-N 3.42Å
44A94.6Very high93.8Very high110 Ų11081.8 Ų81.891%0.90946%0.459SS*.  trans-66.1124.8170.600000109.2
45V93.5Very high93.7Very high45 Ų4578.6 Ų78.627%0.27345%0.451SS..  trans-130.7157.7-179.2-66.50000110.1K43 Q49 Y50K43-V45 HydrophobicContact CD-CG1 4.45Å; K43-V45 HydrophobicContact CG-CG1 3.71Å; K43-V45 PolarHBondContact O-N 3.42Å; V45-Q49 HydrophobicContact CB-CB 3.95Å; V45-Y50 HydrophobicContact CG2-CD2 4.36Å
46T97.2Very high93.7Very high81 Ų8176 Ų7650%0.49743%0.428SS..  trans-68.3158.8170.963.50000110.9S48 Q49 Y50T46-S48 PolarHBondContact O-N 3.34Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.16Å; T46-Q49 WeakPolarHBondContact OG1-CB 3.38Å; T46-Q49 VanDerWaalsContact OG1-CG 3.31Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.19Å; T46-Q49 PolarHBondContact OG1-N 2.92Å; T46-Q49 PolarHBondContact OG1-OE1 2.96Å; T46-Q49 VanDerWaalsContact OG1-OE1 3.05Å; T46-Y50 PolarHBondContact O-N 2.91Å
47A96.8Very high93.7Very high86 Ų8676.4 Ų76.471%0.71143%0.43SS*.Hα-helixtrans-56.7-37.8175.700000112.4Y50 Q51A47-Y50 PolarHBondContact O-N 3.46Å; A47-Q51 WeakPolarHBondContact O-CB 3.45Å; A47-Q51 PolarHBondContact O-N 2.92Å
48S96.1Very high93.8Very high87 Ų8777.4 Ų77.461%0.60844%0.441SS*.Hα-helixtrans-64.5-43.6176.9-170.90000112.4T46 Q51 E52T46-S48 PolarHBondContact O-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.43Å; S48-E52 PolarHBondContact O-N 3.02Å
49Q95.1Very high94.1Very high94 Ų9476 Ų7644%0.43942%0.419SS..Hα-helixtrans-66-42.8176.4-76.1167.4-36.100111.2V45 T46 Q51 E52 E53V45-Q49 HydrophobicContact CB-CB 3.95Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.16Å; T46-Q49 WeakPolarHBondContact OG1-CB 3.38Å; T46-Q49 VanDerWaalsContact OG1-CG 3.31Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.19Å; T46-Q49 PolarHBondContact OG1-N 2.92Å; T46-Q49 PolarHBondContact OG1-OE1 2.96Å; T46-Q49 VanDerWaalsContact OG1-OE1 3.05Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.23Å; Q49-E52 PolarHBondContact O-N 2.99Å; Q49-E53 WeakPolarHBondContact O-CG 3.44Å; Q49-E53 PolarHBondContact O-N 3.49Å
50Y94.7Very high94.4Very high128 Ų12872.2 Ų72.250%0.50240%0.401SS..Hα-helixtrans-60.7-40.9177.4-174.1-120.1000112V45 T46 A47 E52 E53 L54V45-Y50 HydrophobicContact CG2-CD2 4.36Å; T46-Y50 PolarHBondContact O-N 2.91Å; A47-Y50 PolarHBondContact O-N 3.46Å; Y50-E52 PolarHBondContact O-N 3.44Å; Y50-E53 PolarHBondContact O-N 3.47Å; Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.39Å; Y50-L54 HydrophobicContact CD2-CG 4.42Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.04Å; Y50-L54 HydrophobicContact CE2-CD1 4.34Å; Y50-L54 HydrophobicContact CE2-CD2 4.21Å; Y50-L54 HydrophobicContact CE2-CG 4.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.27Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 3.08Å
51Q96.4Very high94.6Very high132 Ų13274 Ų7462%0.61741%0.414SS*.Hα-helixtrans-58.8-46.5174-179.8-177.2-24.500111.7A47 S48 Q49 L54 V55A47-Q51 WeakPolarHBondContact O-CB 3.45Å; A47-Q51 PolarHBondContact O-N 2.92Å; S48-Q51 PolarHBondContact O-N 3.43Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.23Å; Q51-L54 PolarHBondContact O-N 2.74Å; Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 3.34Å; Q51-V55 VanDerWaalsContact O-N 3.08Å
52E95.9Very high95Very high87 Ų8772.6 Ų72.641%0.40742%0.421SS..Hα-helixtrans-65-43.7178.8-169.3-177.816700112.1S48 Q49 Y50 L54 V55 R56 L80S48-E52 PolarHBondContact O-N 3.02Å; Q49-E52 PolarHBondContact O-N 2.99Å; Y50-E52 PolarHBondContact O-N 3.44Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 3.45Å; E52-V55 PolarHBondContact O-N 2.93Å; E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 PolarHBondContact O-N 3.46Å; E52-L80 HydrophobicContact CG-CB 3.85Å; E52-L80 HydrophobicContact CG-CD2 4.13Å
53E94.1Very high95.3Very high21 Ų2167.7 Ų67.710%0.09840%0.4CS..Hα-helixtrans-60.9-41.7176-72.3-175.5-17500112.2R12 Q49 Y50 R56 D57R12-E53 IonicContact CZ-OE2 2.82Å; R12-E53 VanDerWaalsContact CZ-OE2 3.24Å; R12-E53 IonicContact NH1-OE2 3.55Å; R12-E53 PolarHBondContact NH1-OE2 3.23Å; R12-E53 IonicContact NH2-OE2 3.29Å; R12-E53 PolarHBondContact NH2-OE2 2.84Å; Q49-E53 WeakPolarHBondContact O-CG 3.44Å; Q49-E53 PolarHBondContact O-N 3.49Å; Y50-E53 PolarHBondContact O-N 3.47Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.38Å; E53-D57 WeakPolarHBondContact O-CB 3.34Å; E53-D57 PolarHBondContact O-N 3.01Å
54L94.8Very high95.6Very high81 Ų8171.4 Ų71.442%0.42442%0.42SS..Hα-helixtrans-63.3-43.8176.2-79.2180000112.1Y50 Q51 E52 R56 D57 A58Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.39Å; Y50-L54 HydrophobicContact CD2-CG 4.42Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.04Å; Y50-L54 HydrophobicContact CE2-CD1 4.34Å; Y50-L54 HydrophobicContact CE2-CD2 4.21Å; Y50-L54 HydrophobicContact CE2-CG 4.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.27Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 3.08Å; Q51-L54 PolarHBondContact O-N 2.74Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.03Å; L54-D57 PolarHBondContact O-N 3.34Å; L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.11Å
55V96.7Very high95.6Very high74 Ų7467.7 Ų67.745%0.44839%0.387SS..Hα-helixtrans-62.9-41.9176.6173.30000110.5Q51 E52 A58 F59 L80Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 3.34Å; Q51-V55 VanDerWaalsContact O-N 3.08Å; E52-V55 PolarHBondContact O-N 2.93Å; V55-A58 PolarHBondContact O-N 3.35Å; V55-F59 VanDerWaalsContact O-CB 3.29Å; V55-F59 WeakPolarHBondContact O-CB 3.38Å; V55-F59 PolarHBondContact O-N 3.4Å; V55-L80 HydrophobicContact CB-CD2 4.18Å; V55-L80 HydrophobicContact CG1-CD1 4.31Å; V55-L80 HydrophobicContact CG1-CD2 3.68Å
56R95.4Very high95.7Very high9 Ų971.7 Ų71.73%0.03440%0.403CS..Hα-helixtrans-58.9-50.1174.7-179.5-161.166.4-153-10.1112.2E52 E53 L54 A58 F59 V60 C78 L80 L83E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 PolarHBondContact O-N 3.46Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.38Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.03Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.94Å; R56-F59 WeakPolarHBondContact O-CB 3.39Å; R56-F59 PolarHBondContact O-N 3.36Å; R56-V60 WeakPolarHBondContact O-CG2 3.26Å; R56-V60 PolarHBondContact O-N 3.35Å; R56-C78 WeakPolarHBondContact CD-O 3.05Å; R56-C78 PolarHBondContact NH1-O 3.47Å; R56-L80 HydrophobicContact CB-CB 4.29Å; R56-L80 HydrophobicContact CB-CD1 4.13Å; R56-L83 HydrophobicContact CG-CD1 3.45Å; R56-L83 VanDerWaalsContact CG-CD1 3.45Å
57D94.9Very high95.6Very high28 Ų2870.6 Ų70.615%0.1539%0.393CS..Hα-helixtrans-65.6-38.4-176.7-61.8-16.7000110.7R12 E53 L54 S61R12-D57 WeakPolarHBondContact CD-OD2 3.08Å; R12-D57 IonicContact CZ-OD2 2.73Å; R12-D57 IonicContact NE-OD2 2.98Å; R12-D57 IonicContact NH1-OD2 2.89Å; R12-D57 PolarHBondContact NH1-OD2 3.08Å; E53-D57 WeakPolarHBondContact O-CB 3.34Å; E53-D57 PolarHBondContact O-N 3.01Å; L54-D57 PolarHBondContact O-N 3.34Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 VanDerWaalsContact O-N 3.08Å; D57-S61 PolarHBondContact O-OG 2.96Å
58A96.3Very high95.6Very high60 Ų6067 Ų6750%0.49636%0.362SS..Hα-helixtrans-66.2-41.8172.700000112.6L54 V55 R56 S61 G62L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.11Å; V55-A58 PolarHBondContact O-N 3.35Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.94Å; A58-S61 PolarHBondContact O-OG 2.93Å; A58-G62 PolarHBondContact O-N 3.05Å
59F96.5Very high95.5Very high55 Ų5565.8 Ų65.824%0.24134%0.344CS..Hα-helixtrans-57.6-55175.9174-112.1000110.6V55 R56 S61 G62 L63 L72 L84 A87V55-F59 VanDerWaalsContact O-CB 3.29Å; V55-F59 WeakPolarHBondContact O-CB 3.38Å; V55-F59 PolarHBondContact O-N 3.4Å; R56-F59 WeakPolarHBondContact O-CB 3.39Å; R56-F59 PolarHBondContact O-N 3.36Å; F59-S61 PolarHBondContact O-N 2.82Å; F59-G62 PolarHBondContact O-N 2.9Å; F59-L63 HydrophobicContact CE1-CD1 4.46Å; F59-L63 HydrophobicContact CE2-CD2 3.96Å; F59-L63 HydrophobicContact CZ-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD2 4.13Å; F59-L63 WeakPolarHBondContact O-CG 3.32Å; F59-L63 PolarHBondContact O-N 2.73Å; F59-L72 HydrophobicContact CD1-CD1 4.18Å; F59-L72 HydrophobicContact CE1-CD1 3.61Å; F59-L72 HydrophobicContact CZ-CD1 4.44Å; F59-L84 HydrophobicContact CE2-CD1 4.46Å; F59-L84 HydrophobicContact CZ-CD1 4.14Å; F59-A87 HydrophobicContact CE1-CB 4.23Å; F59-A87 HydrophobicContact CZ-CB 3.85Å
60V95.7Very high95.5Very high2 Ų265.8 Ų65.81%0.01234%0.344CS..Hα-helixtrans-64-44.1-176.8177.50000112V9 Y13 R56 G62 R69 L72 L73 L83V9-V60 HydrophobicContact CG1-CB 4.44Å; V9-V60 HydrophobicContact CG1-CG1 4.22Å; V9-V60 HydrophobicContact CG1-CG2 3.88Å; Y13-V60 HydrophobicContact CD2-CG1 4.05Å; R56-V60 WeakPolarHBondContact O-CG2 3.26Å; R56-V60 PolarHBondContact O-N 3.35Å; V60-G62 VanDerWaalsContact C-N 3.35Å; V60-R69 HydrophobicContact CG1-CG 4.48Å; V60-L72 HydrophobicContact CG2-CD1 4.06Å; V60-L73 HydrophobicContact CG1-CD2 3.88Å; V60-L73 HydrophobicContact CG1-CG 4.37Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å
61S94.8Very high95.5Very high39 Ų3965.7 Ų65.727%0.27334%0.343SS..Hα-helixtrans-70.9-28.7-179.4590000113.6D57 A58 F59D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 VanDerWaalsContact O-N 3.08Å; D57-S61 PolarHBondContact O-OG 2.96Å; A58-S61 PolarHBondContact O-OG 2.93Å; F59-S61 PolarHBondContact O-N 2.82Å
62G95.6Very high95.4Very high62 Ų6259.4 Ų59.464%0.63931%0.313SS*.Hα-helixtrans-88-9.4-178.300000116A58 F59 V60 Q64A58-G62 PolarHBondContact O-N 3.05Å; F59-G62 PolarHBondContact O-N 2.9Å; V60-G62 VanDerWaalsContact C-N 3.35Å; G62-Q64 PolarHBondContact O-N 2.89Å
63L96Very high95.3Very high26 Ų2656.6 Ų56.614%0.13630%0.301CS..  trans-60.9127.8-178.5-80.9171.5000112.6F59 I68 R69 L72F59-L63 HydrophobicContact CE1-CD1 4.46Å; F59-L63 HydrophobicContact CE2-CD2 3.96Å; F59-L63 HydrophobicContact CZ-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD2 4.13Å; F59-L63 WeakPolarHBondContact O-CG 3.32Å; F59-L63 PolarHBondContact O-N 2.73Å; L63-I68 HydrophobicContact CD1-CB 4.35Å; L63-I68 HydrophobicContact CD1-CG2 3.71Å; L63-I68 HydrophobicContact CD2-CG2 4.39Å; L63-R69 HydrophobicContact CB-CB 4.42Å; L63-R69 HydrophobicContact CD1-CB 4.41Å; L63-R69 PolarHBondContact O-NE 2.98Å; L63-R69 PolarHBondContact O-NH2 2.76Å; L63-L72 HydrophobicContact CD1-CD1 3.47Å; L63-L72 VanDerWaalsContact CD1-CD1 3.47Å; L63-L72 HydrophobicContact CD1-CG 4.45Å
64Q95.6Very high95.2Very high192 Ų19260.4 Ų60.490%0.89732%0.319SS*.SBendtrans-71.8-40.3175.1-172.2-178.959.600112.8G62 H66G62-Q64 PolarHBondContact O-N 2.89Å; Q64-H66 PolarHBondContact O-N 3.16Å
65S95.4Very high94.8Very high33 Ų3357.8 Ų57.823%0.23131%0.307CS..  trans-72.2111.8179.9178.20000110.9I67 I68 R69 Q94S65-I67 PolarHBondContact O-N 2.88Å; S65-I68 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact OG-N 3.11Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 3.46Å; S65-Q94 PolarHBondContact OG-OE1 2.9Å
66H95.2Very high94.3Very high129 Ų12964 Ų6460%0.59733%0.328SS*.Hα-helixtrans-63.2-30.117567.3-83.2000112.1Q64 R69 Q70Q64-H66 PolarHBondContact O-N 3.16Å; H66-R69 PolarHBondContact O-N 2.7Å; H66-Q70 VanDerWaalsContact O-CB 3.27Å; H66-Q70 WeakPolarHBondContact O-CB 3.46Å; H66-Q70 PolarHBondContact O-N 3.01Å
67I95.6Very high93.6Very high57 Ų5764.3 Ų64.329%0.29233%0.333SS..Hα-helixtrans-66.4-49.9177.5-59.1-61.2000110.7S65 R69 Q70 R71 V90S65-I67 PolarHBondContact O-N 2.88Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.93Å; I67-Q70 PolarHBondContact O-N 3.14Å; I67-R71 WeakPolarHBondContact O-CG 3.32Å; I67-R71 PolarHBondContact O-N 3.27Å; I67-V90 HydrophobicContact CG2-CG1 4.05Å
68I95.9Very high93Very high12 Ų1265.1 Ų65.16%0.06234%0.34CS..Hα-helixtrans-60.3-48.6176.4-61.2174.9000109L63 S65 Q70 R71 L72 A87 V90 D91L63-I68 HydrophobicContact CD1-CB 4.35Å; L63-I68 HydrophobicContact CD1-CG2 3.71Å; L63-I68 HydrophobicContact CD2-CG2 4.39Å; S65-I68 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact OG-N 3.11Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 3.47Å; I68-R71 PolarHBondContact O-N 3.34Å; I68-R71 VanDerWaalsContact O-N 3.11Å; I68-L72 HydrophobicContact CG2-CD1 4.32Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CG 3.4Å; I68-L72 PolarHBondContact O-N 2.86Å; I68-A87 HydrophobicContact CG2-CB 3.7Å; I68-V90 HydrophobicContact CG1-CB 4.32Å; I68-V90 HydrophobicContact CG1-CG1 3.83Å; I68-D91 HydrophobicContact CD1-CB 3.93Å
69R95.8Very high92.8Very high61 Ų6165.4 Ų65.423%0.2333%0.333CS..Hα-helixtrans-56.3-46.2179.3-165.3-169.2-56.3169.76.5112.2Y13 V60 L63 S65 H66 I67 R71 L72 L73Y13-R69 HydrophobicContact CE2-CG 4.29Å; Y13-R69 WeakPolarHBondContact OH-CD 3.25Å; Y13-R69 PolarHBondContact OH-NH1 3.33Å; V60-R69 HydrophobicContact CG1-CG 4.48Å; L63-R69 HydrophobicContact CB-CB 4.42Å; L63-R69 HydrophobicContact CD1-CB 4.41Å; L63-R69 PolarHBondContact O-NE 2.98Å; L63-R69 PolarHBondContact O-NH2 2.76Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 3.46Å; H66-R69 PolarHBondContact O-N 2.7Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.93Å; R69-R71 PolarHBondContact O-N 3.3Å; R69-L72 PolarHBondContact O-N 3.49Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 2.96Å
70Q94.9Very high92.7Very high94 Ų9464.8 Ų64.844%0.43933%0.332SS..Hα-helixtrans-57.4-48.7176.1179-175.5-25.700111H66 I67 I68 L72 L73 E74H66-Q70 VanDerWaalsContact O-CB 3.27Å; H66-Q70 WeakPolarHBondContact O-CB 3.46Å; H66-Q70 PolarHBondContact O-N 3.01Å; I67-Q70 PolarHBondContact O-N 3.14Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 3.47Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 3.47Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-L73 VanDerWaalsContact O-N 3.14Å; Q70-E74 HydrophobicContact CG-CG 4.49Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.01Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.05Å
71R94.6Very high92.7Very high126 Ų12667.4 Ų67.448%0.47535%0.354SS..Hα-helixtrans-61.2-37.1179.1-67.8-57.4-169.6-1714.7113I67 I68 R69 E74 S75 V86 V90I67-R71 WeakPolarHBondContact O-CG 3.32Å; I67-R71 PolarHBondContact O-N 3.27Å; I68-R71 PolarHBondContact O-N 3.34Å; I68-R71 VanDerWaalsContact O-N 3.11Å; R69-R71 PolarHBondContact O-N 3.3Å; R71-E74 IonicContact CZ-OE2 3.64Å; R71-E74 IonicContact NH1-OE2 3.67Å; R71-E74 PolarHBondContact NH1-OE2 3.14Å; R71-E74 PolarHBondContact O-N 2.98Å; R71-S75 PolarHBondContact O-N 3.24Å; R71-S75 VanDerWaalsContact O-N 3.11Å; R71-V86 HydrophobicContact CB-CG1 4.48Å; R71-V90 HydrophobicContact CB-CG2 3.89Å; R71-V90 HydrophobicContact CG-CG1 4.24Å; R71-V90 HydrophobicContact CG-CG2 3.8Å
72L94.6Very high92.7Very high0 Ų067.7 Ų67.70%036%0.356CS..Hα-helixtrans-67.4-39.9174.9-63.7-169.8000112.3F59 V60 L63 I68 R69 Q70 E74 S75 L83 V86 A87F59-L72 HydrophobicContact CD1-CD1 4.18Å; F59-L72 HydrophobicContact CE1-CD1 3.61Å; F59-L72 HydrophobicContact CZ-CD1 4.44Å; V60-L72 HydrophobicContact CG2-CD1 4.06Å; L63-L72 HydrophobicContact CD1-CD1 3.47Å; L63-L72 VanDerWaalsContact CD1-CD1 3.47Å; L63-L72 HydrophobicContact CD1-CG 4.45Å; I68-L72 HydrophobicContact CG2-CD1 4.32Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CG 3.4Å; I68-L72 PolarHBondContact O-N 2.86Å; R69-L72 PolarHBondContact O-N 3.49Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 3.47Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.41Å; L72-S75 PolarHBondContact O-N 2.83Å; L72-L83 HydrophobicContact CB-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CB 4.26Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 WeakPolarHBondContact CD2-O 3.38Å; L72-L83 HydrophobicContact CG-CD2 4.39Å; L72-V86 HydrophobicContact CD2-CB 3.82Å; L72-V86 HydrophobicContact CD2-CG1 3.73Å; L72-A87 HydrophobicContact CD1-CB 4.43Å; L72-A87 HydrophobicContact CD2-CB 4.24Å
73L93.3Very high92.6Very high27 Ų2764.7 Ų64.714%0.14133%0.326CS..Hα-helixtrans-73.6-20.5178.6-64.2172.5000113.4N7 H10 Y13 V60 R69 Q70N7-L73 PolarHBondContact ND2-O 2.65Å; H10-L73 HydrophobicContact CB-CD2 4.39Å; Y13-L73 HydrophobicContact CD1-CD1 3.73Å; Y13-L73 HydrophobicContact CD1-CD2 3.91Å; Y13-L73 HydrophobicContact CD2-CD2 4.35Å; Y13-L73 HydrophobicContact CE1-CD1 3.77Å; Y13-L73 HydrophobicContact CG-CD1 4.14Å; Y13-L73 HydrophobicContact CG-CD2 3.69Å; V60-L73 HydrophobicContact CG1-CD2 3.88Å; V60-L73 HydrophobicContact CG1-CG 4.37Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 2.96Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-L73 VanDerWaalsContact O-N 3.14Å
74E91.4Very high92.6Very high102 Ų10266.4 Ų66.448%0.47733%0.334SS..Hα-helixtrans-84.1-23.1171.2-72.4171.4-176.400112.4Q70 R71 L72Q70-E74 HydrophobicContact CG-CG 4.49Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.01Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.05Å; R71-E74 IonicContact CZ-OE2 3.64Å; R71-E74 IonicContact NH1-OE2 3.67Å; R71-E74 PolarHBondContact NH1-OE2 3.14Å; R71-E74 PolarHBondContact O-N 2.98Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.47Å
75S87.6Confident92.7Very high25 Ų2561.2 Ų61.218%0.17531%0.313CS..  trans-65.9145.5-176.5-172.70000111.9N7 R71 L72 A77N7-S75 PolarHBondContact ND2-O 3.29Å; R71-S75 PolarHBondContact O-N 3.24Å; R71-S75 VanDerWaalsContact O-N 3.11Å; L72-S75 WeakPolarHBondContact O-CB 3.41Å; L72-S75 PolarHBondContact O-N 2.83Å; S75-A77 WeakPolarHBondContact OG-CB 3.33Å; S75-A77 PolarHBondContact OG-N 3.34Å; S75-A77 VanDerWaalsContact OG-N 3.16Å
76K85.4Confident92.7Very high204 Ų20461.8 Ų61.889%0.88732%0.315SS*.  trans-80.5-5.9170.6-62.6-179.6-177.4175.90112.7
77A80Confident92.7Very high17 Ų1756 Ų5614%0.1429%0.289CS..  trans-72.8135.7179.800000111.1S75 L83S75-A77 WeakPolarHBondContact OG-CB 3.33Å; S75-A77 PolarHBondContact OG-N 3.34Å; S75-A77 VanDerWaalsContact OG-N 3.16Å; A77-L83 HydrophobicContact CB-CD2 4.31Å; A77-L83 HydrophobicContact CB-CG 4.39Å
78C83.8Confident92.8Very high45 Ų4559.9 Ų59.930%0.30430%0.3SS..  trans-115.1-13.5178.8-62.40000112.9R56R56-C78 WeakPolarHBondContact CD-O 3.05Å; R56-C78 PolarHBondContact NH1-O 3.47Å
79D91.9Very high92.8Very high66 Ų6664.2 Ų64.235%0.35333%0.327SS..SBendtrans-91153.7-179.860.9-69.6000112.1A81 S82 L83D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 3.49Å; D79-S82 VanDerWaalsContact OD1-CB 3.26Å; D79-S82 WeakPolarHBondContact OD1-CB 3.48Å; D79-S82 PolarHBondContact OD1-OG 3.29Å; D79-S82 WeakPolarHBondContact OD2-CB 3.42Å; D79-S82 PolarHBondContact OD2-N 2.78Å; D79-S82 PolarHBondContact OD2-OG 3.47Å; D79-L83 WeakPolarHBondContact O-CG 3.43Å; D79-L83 PolarHBondContact O-N 3.47Å
80L94.2Very high92.8Very high41 Ų4162.4 Ų62.422%0.21532%0.323CS..Hα-helixtrans-64.3-41-176.9176.461.4000111.8E52 V55 R56 L83 L84E52-L80 HydrophobicContact CG-CB 3.85Å; E52-L80 HydrophobicContact CG-CD2 4.13Å; V55-L80 HydrophobicContact CB-CD2 4.18Å; V55-L80 HydrophobicContact CG1-CD1 4.31Å; V55-L80 HydrophobicContact CG1-CD2 3.68Å; R56-L80 HydrophobicContact CB-CB 4.29Å; R56-L80 HydrophobicContact CB-CD1 4.13Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.44Å
81A95.3Very high92.9Very high57 Ų5760.5 Ų60.547%0.47132%0.316SS..Hα-helixtrans-62.1-50.6-177.500000111.9D79 L83 L84 D85D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 3.49Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.33Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3Å; A81-D85 PolarHBondContact O-N 3.09Å
82S94.5Very high92.9Very high45 Ų4558.2 Ų58.232%0.31532%0.319SS..Hα-helixtrans-64-38.4179.1-62.20000112.3D79 L84 D85 V86D79-S82 VanDerWaalsContact OD1-CB 3.26Å; D79-S82 WeakPolarHBondContact OD1-CB 3.48Å; D79-S82 PolarHBondContact OD1-OG 3.29Å; D79-S82 WeakPolarHBondContact OD2-CB 3.42Å; D79-S82 PolarHBondContact OD2-N 2.78Å; D79-S82 PolarHBondContact OD2-OG 3.47Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-D85 PolarHBondContact O-N 3.07Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.13Å
83L94.3Very high92.9Very high0 Ų061.2 Ų61.20%034%0.344CS..Hα-helixtrans-65.5-38.3175.1-73168.9000111.9V9 R56 V60 L72 A77 D79 L80 A81 D85 V86 A87V9-L83 HydrophobicContact CG1-CD1 4.31Å; V9-L83 HydrophobicContact CG2-CD1 4.07Å; R56-L83 HydrophobicContact CG-CD1 3.45Å; R56-L83 VanDerWaalsContact CG-CD1 3.45Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å; L72-L83 HydrophobicContact CB-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CB 4.26Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 WeakPolarHBondContact CD2-O 3.38Å; L72-L83 HydrophobicContact CG-CD2 4.39Å; A77-L83 HydrophobicContact CB-CD2 4.31Å; A77-L83 HydrophobicContact CB-CG 4.39Å; D79-L83 WeakPolarHBondContact O-CG 3.43Å; D79-L83 PolarHBondContact O-N 3.47Å; L80-L83 PolarHBondContact O-N 2.92Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.33Å; L83-D85 VanDerWaalsContact C-N 3.34Å; L83-V86 PolarHBondContact O-N 2.9Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 2.92Å
84L96.3Very high92.9Very high61 Ų6162.3 Ų62.332%0.31935%0.348SS..Hα-helixtrans-63.9-40.7175.1-176.164.5000111.6F59 L80 A81 S82 A87 R88F59-L84 HydrophobicContact CE2-CD1 4.46Å; F59-L84 HydrophobicContact CZ-CD1 4.14Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.44Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3Å; S82-L84 VanDerWaalsContact C-N 3.34Å; L84-A87 PolarHBondContact O-N 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.28Å; L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 2.83Å
85D96.1Very high92.9Very high84 Ų8463.2 Ų63.245%0.44935%0.351SS..Hα-helixtrans-65.6-43.2177.4-71.3-21.8000111.9A81 S82 L83 A87 R88 V89A81-D85 PolarHBondContact O-N 3.09Å; S82-D85 PolarHBondContact O-N 3.07Å; L83-D85 VanDerWaalsContact C-N 3.34Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.07Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 IonicContact OD1-NH1 2.94Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; D85-V89 WeakPolarHBondContact O-CG2 3.47Å; D85-V89 PolarHBondContact O-N 3.22Å
86V95.2Very high93.1Very high44 Ų4463.4 Ų63.427%0.26736%0.357SS..Hα-helixtrans-58.8-45.4171.81750000110.6R71 L72 S82 L83 R88 V89 V90R71-V86 HydrophobicContact CB-CG1 4.48Å; L72-V86 HydrophobicContact CD2-CB 3.82Å; L72-V86 HydrophobicContact CD2-CG1 3.73Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.13Å; L83-V86 PolarHBondContact O-N 2.9Å; V86-R88 VanDerWaalsContact C-N 3.35Å; V86-R88 PolarHBondContact O-N 2.82Å; V86-V89 PolarHBondContact O-N 3.13Å; V86-V90 HydrophobicContact CG1-CG2 4.38Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.43Å
87A96.3Very high93.4Very high8 Ų857 Ų577%0.06634%0.337CS..Hα-helixtrans-60.8-43179.500000112.2F59 I68 L72 L83 L84 D85 V90 D91F59-A87 HydrophobicContact CE1-CB 4.23Å; F59-A87 HydrophobicContact CZ-CB 3.85Å; I68-A87 HydrophobicContact CG2-CB 3.7Å; L72-A87 HydrophobicContact CD1-CB 4.43Å; L72-A87 HydrophobicContact CD2-CB 4.24Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 2.92Å; L84-A87 PolarHBondContact O-N 3.45Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.07Å; A87-V90 PolarHBondContact O-N 3.26Å; A87-D91 VanDerWaalsContact O-CB 3.23Å; A87-D91 WeakPolarHBondContact O-CB 3.47Å; A87-D91 PolarHBondContact O-N 2.99Å
88R97Very high93.8Very high139 Ų13961.5 Ų61.553%0.52536%0.356SS..Hα-helixtrans-62.4-43.3177.1-74.1167.3175.8163.1-5.6112.5L84 D85 V86 S92L84-R88 VanDerWaalsContact O-CG 3.28Å; L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 2.83Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 IonicContact OD1-NH1 2.94Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; V86-R88 VanDerWaalsContact C-N 3.35Å; V86-R88 PolarHBondContact O-N 2.82Å; R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.46Å; R88-S92 PolarHBondContact O-N 3.29Å; R88-S92 PolarHBondContact O-OG 3.25Å
89V96.3Very high93.9Very high103 Ų10362.3 Ų62.362%0.62436%0.362SS*.Hα-helixtrans-62.1-46.3177.6171.20000110.3D85 V86 A93D85-V89 WeakPolarHBondContact O-CG2 3.47Å; D85-V89 PolarHBondContact O-N 3.22Å; V86-V89 PolarHBondContact O-N 3.13Å; V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.16Å
90V95.9Very high93.5Very high22 Ų2267.4 Ų67.413%0.13338%0.377CS..Hα-helixtrans-66.2-46.8179.21780000111.1I67 I68 R71 V86 A87 S92 A93 Q94I67-V90 HydrophobicContact CG2-CG1 4.05Å; I68-V90 HydrophobicContact CG1-CB 4.32Å; I68-V90 HydrophobicContact CG1-CG1 3.83Å; R71-V90 HydrophobicContact CB-CG2 3.89Å; R71-V90 HydrophobicContact CG-CG1 4.24Å; R71-V90 HydrophobicContact CG-CG2 3.8Å; V86-V90 HydrophobicContact CG1-CG2 4.38Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.43Å; A87-V90 PolarHBondContact O-N 3.26Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 2.68Å; V90-A93 WeakPolarHBondContact O-CB 3.39Å; V90-A93 PolarHBondContact O-N 3.34Å; V90-A93 VanDerWaalsContact O-N 3.16Å; V90-Q94 HydrophobicContact CG1-CG 4.39Å; V90-Q94 WeakPolarHBondContact O-CG 3.49Å; V90-Q94 PolarHBondContact O-N 3.31Å
91D96.3Very high92.9Very high55 Ų5570.8 Ų70.829%0.29440%0.395SS..Hα-helixtrans-58.6-44.2178.4-179.463.9000111.8I68 A87 A93 Q94 K95I68-D91 HydrophobicContact CD1-CB 3.93Å; A87-D91 VanDerWaalsContact O-CB 3.23Å; A87-D91 WeakPolarHBondContact O-CB 3.47Å; A87-D91 PolarHBondContact O-N 2.99Å; D91-A93 PolarHBondContact O-N 3.34Å; D91-Q94 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact O-CG 3.47Å; D91-K95 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact OD1-CE 3.46Å; D91-K95 IonicContact OD1-NZ 3.56Å; D91-K95 WeakPolarHBondContact OD2-CE 3.3Å; D91-K95 IonicContact OD2-NZ 2.67Å; D91-K95 PolarHBondContact OD2-NZ 3.25Å
92S95.2Very high91.8Very high77 Ų7774.4 Ų74.454%0.53841%0.405SS..Hα-helixtrans-64.8-40176.6-56.70000111.9R88 V90 G96R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.46Å; R88-S92 PolarHBondContact O-N 3.29Å; R88-S92 PolarHBondContact O-OG 3.25Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 2.68Å; S92-G96 PolarHBondContact O-N 3.11Å
93A94.4Very high90.6Very high64 Ų6475.8 Ų75.853%0.52942%0.415SS..Hα-helixtrans-65.7-38.5176.100000112.2V89 V90 D91 G96 S97V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.16Å; V90-A93 WeakPolarHBondContact O-CB 3.39Å; V90-A93 PolarHBondContact O-N 3.34Å; V90-A93 VanDerWaalsContact O-N 3.16Å; D91-A93 PolarHBondContact O-N 3.34Å; A93-G96 PolarHBondContact O-N 3.38Å; A93-S97 WeakPolarHBondContact O-CB 3.46Å; A93-S97 PolarHBondContact O-N 3.5Å
94Q93.3Very high88.9Confident50 Ų5080 Ų8023%0.23444%0.441CS..Hα-helixtrans-64.1-50.3175.8-70.1-171.8-80.900111.1S65 V90 D91 G96 S97 E98S65-Q94 PolarHBondContact OG-OE1 2.9Å; V90-Q94 HydrophobicContact CG1-CG 4.39Å; V90-Q94 WeakPolarHBondContact O-CG 3.49Å; V90-Q94 PolarHBondContact O-N 3.31Å; D91-Q94 PolarHBondContact O-N 3.04Å; Q94-G96 VanDerWaalsContact C-N 3.31Å; Q94-G96 PolarHBondContact O-N 3.24Å; Q94-S97 WeakPolarHBondContact O-CB 3.36Å; Q94-S97 PolarHBondContact O-N 3.4Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; Q94-E98 WeakPolarHBondContact O-CG 3.5Å; Q94-E98 PolarHBondContact O-N 3.35Å
95K92.2Very high87.1Confident121 Ų12184 Ų8453%0.52646%0.458SS..Hα-helixtrans-59.2-41.9176.2-70.9169.5178.7166.90112.3D91 E98 S99D91-K95 WeakPolarHBondContact O-CG 3.47Å; D91-K95 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact OD1-CE 3.46Å; D91-K95 IonicContact OD1-NZ 3.56Å; D91-K95 WeakPolarHBondContact OD2-CE 3.3Å; D91-K95 IonicContact OD2-NZ 2.67Å; D91-K95 PolarHBondContact OD2-NZ 3.25Å; K95-E98 PolarHBondContact O-N 3.45Å; K95-S99 PolarHBondContact O-N 3.45Å
96G91.8Very high85.3Confident29 Ų2983.6 Ų83.630%0.29947%0.466SS..Hα-helixtrans-61.6-43.7174.100000112.2S92 A93 Q94 E98 S99 Y100S92-G96 PolarHBondContact O-N 3.11Å; A93-G96 PolarHBondContact O-N 3.38Å; Q94-G96 VanDerWaalsContact C-N 3.31Å; Q94-G96 PolarHBondContact O-N 3.24Å; G96-E98 PolarHBondContact O-N 2.88Å; G96-S99 PolarHBondContact O-N 3.04Å; G96-S99 PolarHBondContact O-OG 3.44Å; G96-Y100 VanDerWaalsContact O-CD2 3.3Å; G96-Y100 WeakPolarHBondContact O-CD2 3.31Å
97S90.2Very high83.5Confident69 Ų6987.7 Ų87.748%0.48349%0.487SS..Hα-helixtrans-62.7-40.7177.8-169.70000112.8A93 Q94 S99 Y100A93-S97 WeakPolarHBondContact O-CB 3.46Å; A93-S97 PolarHBondContact O-N 3.5Å; Q94-S97 WeakPolarHBondContact O-CB 3.36Å; Q94-S97 PolarHBondContact O-N 3.4Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; S97-S99 VanDerWaalsContact C-N 3.28Å; S97-S99 PolarHBondContact O-N 2.75Å; S97-Y100 PolarHBondContact O-N 3.23Å
98E89.1Confident81.7Confident112 Ų11292 Ų9252%0.52351%0.513SS..Hα-helixtrans-63.3-34.5178.3-71.7168.9-172.200112.2Q94 K95 G96 Y100 L101 L102Q94-E98 WeakPolarHBondContact O-CG 3.5Å; Q94-E98 PolarHBondContact O-N 3.35Å; K95-E98 PolarHBondContact O-N 3.45Å; G96-E98 PolarHBondContact O-N 2.88Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.91Å; E98-L101 PolarHBondContact O-N 3.29Å; E98-L102 PolarHBondContact O-N 2.93Å
99S86Confident79.6Confident62 Ų6291.2 Ų91.243%0.43452%0.523SS..Hα-helixtrans-63.2-3417778.40000113.3K95 G96 S97 L101 L102 S103K95-S99 PolarHBondContact O-N 3.45Å; G96-S99 PolarHBondContact O-N 3.04Å; G96-S99 PolarHBondContact O-OG 3.44Å; S97-S99 VanDerWaalsContact C-N 3.28Å; S97-S99 PolarHBondContact O-N 2.75Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.1Å; S99-L102 PolarHBondContact O-N 2.91Å; S99-S103 PolarHBondContact O-N 3.23Å; S99-S103 VanDerWaalsContact O-N 3.1Å
100Y83.6Confident77.5Confident173 Ų17391 Ų9168%0.67853%0.532SS*.Hα-helixtrans-67.9-34.4176.5-65.7-61.9000112.4G96 S97 E98 T104G96-Y100 VanDerWaalsContact O-CD2 3.3Å; G96-Y100 WeakPolarHBondContact O-CD2 3.31Å; S97-Y100 PolarHBondContact O-N 3.23Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.91Å; Y100-T104 PolarHBondContact O-N 3.41Å; Y100-T104 PolarHBondContact O-OG1 2.97Å
101L80.7Confident75.4Confident111 Ų11194.7 Ų94.758%0.58157%0.565SS**Hα-helixtrans-68.1-43.3177.4-61.4179.9000111.3E98 S99 S103 T104 H105E98-L101 PolarHBondContact O-N 3.29Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.86Å; L101-T104 PolarHBondContact O-N 3.4Å; L101-H105 PolarHBondContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 3.35Å
102L74.2Confident73.1Confident133 Ų13397.5 Ų97.570%0.69659%0.589SS**Hα-helixtrans-62.7-41.3176.7-74.2159.2000112.1E98 S99 T104 H105E98-L102 PolarHBondContact O-N 2.93Å; S99-L102 PolarHBondContact O-N 2.91Å; L102-T104 PolarHBondContact O-N 2.66Å; L102-H105 PolarHBondContact O-N 2.7Å
103S67.5Low70.7Confident75 Ų7598.9 Ų98.952%0.52461%0.605SS.*Hα-helixtrans-67.4-21.8178.1-169.10000113.4S99 L101S99-S103 PolarHBondContact O-N 3.23Å; S99-S103 VanDerWaalsContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.86Å
104T59.7Low68Low88 Ų8899.8 Ų99.854%0.5462%0.621SS.*Hα-helixtrans-80.7-35.8-179.7-50.30000111.2Y100 L101 L102 A106 N107 T108Y100-T104 PolarHBondContact O-N 3.41Å; Y100-T104 PolarHBondContact O-OG1 2.97Å; L101-T104 PolarHBondContact O-N 3.4Å; L102-T104 PolarHBondContact O-N 2.66Å; T104-A106 PolarHBondContact O-N 2.64Å; T104-N107 PolarHBondContact O-N 3.48Å; T104-T108 PolarHBondContact O-OG1 3.08Å; T104-T108 VanDerWaalsContact O-OG1 3.08Å
105H58Low65.5Low144 Ų144102.1 Ų102.167%0.66765%0.648SS**Hα-helixtrans-70.9-25.4178.5-77.7-65.9000114.5L101 L102 N107L101-H105 PolarHBondContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 3.35Å; L102-H105 PolarHBondContact O-N 2.7Å; H105-N107 PolarHBondContact O-N 2.99Å
106A58.4Low63.5Low76 Ų76102.5 Ų102.563%0.62867%0.666SS**THydrogen-bonded Turntrans-67.9-21.4176.100000113.4T104T104-A106 PolarHBondContact O-N 2.64Å
107N57.4Low61.1Low131 Ų131108.7 Ų108.770%0.70169%0.692SS**THydrogen-bonded Turntrans-101.3-7.8-174.8-66.7-9000113.8T104 H105T104-N107 PolarHBondContact O-N 3.48Å; H105-N107 PolarHBondContact O-N 2.99Å
108T58.7Low58.9Low99 Ų99110.8 Ų110.861%0.60771%0.706SS**SBendtrans-94-11.7-174.3-40.70000114T104T104-T108 PolarHBondContact O-OG1 3.08Å; T104-T108 VanDerWaalsContact O-OG1 3.08Å
109T53.9Low56.6Low122 Ų122117 Ų11775%0.74873%0.725SS**THydrogen-bonded Turntrans-89.64.1-175.17.20000115.6
110A52Low54.8Low98 Ų98123.4 Ų123.481%0.8175%0.748SS**THydrogen-bonded Turntrans-99.9-1.5-175.600000115.6
111A50.8Low52.8Low100 Ų100124.3 Ų124.383%0.82676%0.755SS**SBendtrans-110.56.3-169.300000116.2
112S48.5Very low51.1Low113 Ų113127.3 Ų127.379%0.7977%0.772SS**SBendtrans-128.958.6-17967.90000112.8
113A44.4Very low49.6Very low107 Ų107127.5 Ų127.588%0.88477%0.774SS**SBendtrans-145.9102.716500000108.6
114G38.2Very low48.7Very low83 Ų83129.8 Ų129.886%0.85679%0.785SS**  trans129.664.8170.600000114.9
115A40.2Very low48Very low98 Ų98132.3 Ų132.381%0.8180%0.795SS**  trans-145.978.6162.100000109.4
116S49.5Very low47.9Very low129 Ų129130.4 Ų130.490%0.90280%0.797SS**  trans-163.678161.3-73.10000107.7
117D43.3Very low47.2Very low159 Ų159132.9 Ų132.985%0.8581%0.807SS**  trans-87.3160.7-179.7-16921000112
118C43.6Very low46.6Very low114 Ų114130.5 Ų130.577%0.7781%0.814SS**  trans-74.3154.8-155.5-62.80000116.2
119R39.3Very low46.5Very low242 Ų242133.2 Ų133.291%0.91382%0.824SS**  trans-91.1114.4159.1-69.1176.9176.1158.4-1.2108.6
120Q49.6Very low46.3Very low197 Ų197132.2 Ų132.292%0.92182%0.82SS**  trans-174.6140.6132.2-102.3166.412.200110.6
121F40.6Very low45.7Very low191 Ų191133.4 Ų133.484%0.83882%0.821SS**  trans-63.4137.5-173.8-90.8-120.5000112.6
122D44.8Very low45.8Very low174 Ų174133.4 Ų133.493%0.9382%0.821SS**  trans-146.4139.8142.2-87.6-51.3000109.5
123D43.5Very low46Very low138 Ų138134 Ų13474%0.73882%0.82SS**  trans-88.8151.5-161.9-142.2-127.1000112.1
124V48.8Very low46.6Very low123 Ų123137 Ų13775%0.74582%0.819SS**  trans85.798.3146.4172.60000120
125D43.8Very low47.6Very low141 Ų141138.6 Ų138.675%0.75481%0.812SS**  123.1102.9114.8-149.431.4000119.1
126S57Low48.2Very low103 Ų103140 Ų14072%0.7281%0.812SS**  trans62.6148.6134.5-72.60000124.5
127P43.3Very low48.8Very low129 Ų129143.9 Ų143.984%0.83881%0.812SS**  trans-121.3155.3-141.733.3-14.5000114.7
128G43.9Very low49.8Very low81 Ų81145.6 Ų145.684%0.83581%0.812SS**  trans-160.5103.5172.300000112.1
129N57.9Low51.3Low155 Ų155146.6 Ų146.683%0.82982%0.815SS**  trans-68.1-178.5-173.2-151.425.6000114
130P48.4Very low52.9Low102 Ų102146.1 Ų146.166%0.66281%0.813SS**  -130.1-163.7-93.544.2-26.2000112.6
131C40Very low54Low123 Ų123143 Ų14383%0.83181%0.811SS**  trans102.2104.6154.2-156.30000116.8
132A53.8Low55.5Low99 Ų99143.3 Ų143.382%0.81881%0.813SS**  trans-145.9116156.900000111.8
133T51.3Low56.6Low125 Ų125144.9 Ų144.977%0.76781%0.812SS**  trans-27131.7166.8-46.30000117.8
134I58.2Low57.4Low170 Ų170147.3 Ų147.387%0.87284%0.837SS**PPolyproline II helixtrans-82.8116.6166.1-61.6175.9000109.4
135T58.4Low57.8Low117 Ų117148.5 Ų148.572%0.71884%0.842SS**PPolyproline II helixtrans-84.2133.4174.4-68.30000111.3
136T52.8Low58.6Low129 Ų129148.9 Ų148.979%0.79185%0.846SS**PPolyproline II helixtrans-64.3131.3176.752.80000113.1
137K62.4Low58.7Low209 Ų209151.4 Ų151.491%0.90985%0.853SS**  trans-104.5112.4161.7-80.6-174.9178.8175.50110.3
138K64.9Low59.6Low196 Ų196152.8 Ų152.885%0.85285%0.854SS**  trans-87.9111.4177.6-169.3176.1-173174.20108.8
139T75.2Confident60.6Low135 Ų135157.3 Ų157.383%0.82886%0.855SS**PPolyproline II helixtrans-83.2127.5169.436.60000109.6
140R72.1Confident60.7Low231 Ų231157.4 Ų157.487%0.87286%0.857SS**PPolyproline II helixtrans-86129.6175.4-78.4-179.1166-166.8-3.8109.3
141C73.6Confident61.6Low132 Ų132161.4 Ų161.489%0.89287%0.871SS**PPolyproline II helixtrans-84.9143.4164.5-67.40000110.4
142F72.6Confident63.3Low198 Ų198164.3 Ų164.387%0.86887%0.874SS**  trans-120120174.7-128.2-92.5000107
143F66.8Low64.1Low207 Ų207169.8 Ų169.891%0.90888%0.879SS**  trans-115.1134.1161.4-149-94000106.4
144C60.9Low65.2Low188 Ų188173.8 Ų173.8100%1.2789%0.889SS**  trans-59.20-179-700000112.5

Retrieved 144 of 144 residues in 149.7 ms (Link to these results)