A0A077ZK22_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M41.2Very low54.3Low243 Ų243106.1 Ų106.1100%1.19756%0.558SS**  099.50-162.4156.8-17100105.9
2E50.7Low54.4Low180 Ų180102.7 Ų102.784%0.84156%0.556SS**PPolyproline II helixtrans-64138.7-179.5-66.8-165.3152.500109.7V4E2-V4 PolarHBondContact O-N 3.37Å
3P55.9Low54.8Low116 Ų116101.7 Ų101.775%0.75354%0.543SS*.PPolyproline II helixtrans-62.3123.6178.425.7-31.9000109P5P3-P5 WeakPolarHBondContact O-CD 3.49Å
4V52.4Low54.9Low105 Ų10597.7 Ų97.764%0.63652%0.519SS*.PPolyproline II helixtrans-61.2126.3172.7-71.40000108.5E2 Y6E2-V4 PolarHBondContact O-N 3.37Å; V4-Y6 WeakPolarHBondContact O-CD2 3.48Å; V4-Y6 PolarHBondContact O-N 3.41Å; V4-Y6 VanDerWaalsContact O-N 3.07Å
5P58.9Low55Low89 Ų89104.4 Ų104.458%0.57853%0.534SS*.  trans-61.3115.7178.7-21.131.4000109.7P3 D7P3-P5 WeakPolarHBondContact O-CD 3.49Å; P5-D7 PolarHBondContact O-N 3.12Å
6Y57.1Low55.1Low153 Ų153102.6 Ų102.660%0.654%0.54SS*.SBendtrans-68.35.5-177.7-78.9-89.5000114.3V4V4-Y6 WeakPolarHBondContact O-CD2 3.48Å; V4-Y6 PolarHBondContact O-N 3.41Å; V4-Y6 VanDerWaalsContact O-N 3.07Å
7D57.2Low55Low46 Ų46101.7 Ų101.725%0.24654%0.535CS..  trans-11782.8-173.9-162.3-3.2000112.1P5 T9 R33 R36P5-D7 PolarHBondContact O-N 3.12Å; D7-T9 VanDerWaalsContact C-N 3.28Å; D7-T9 PolarHBondContact O-N 2.94Å; D7-T9 WeakPolarHBondContact OD1-CG2 3.12Å; D7-R33 IonicContact OD1-CZ 3.62Å; D7-R33 IonicContact OD1-NH1 2.92Å; D7-R33 PolarHBondContact OD1-NH1 2.96Å; D7-R33 IonicContact OD2-NH1 2.72Å; D7-R36 IonicContact OD1-CZ 3.49Å; D7-R36 IonicContact OD1-NE 3.28Å; D7-R36 PolarHBondContact OD1-NE 3.46Å; D7-R36 IonicContact OD1-NH2 3.06Å; D7-R36 PolarHBondContact OD1-NH2 3.21Å; D7-R36 IonicContact OD2-CZ 3.18Å; D7-R36 IonicContact OD2-NE 2.77Å; D7-R36 PolarHBondContact OD2-NE 2.92Å; D7-R36 IonicContact OD2-NH2 2.69Å; D7-R36 PolarHBondContact OD2-NH2 3.49Å
8I57Low54.8Low21 Ų21100.2 Ų100.211%0.10853%0.527CS..THydrogen-bonded Turntrans-88.548.1-179.2-39.3174.9000111.2K14 I17 L29I8-K14 HydrophobicContact CG2-CB 4.48Å; I8-K14 HydrophobicContact CG2-CG 3.63Å; I8-K14 VanDerWaalsContact O-CE 3.28Å; I8-K14 WeakPolarHBondContact O-CE 3.35Å; I8-I17 HydrophobicContact CD1-CD1 4.49Å; I8-I17 HydrophobicContact CG1-CD1 4.41Å; I8-I17 HydrophobicContact CG2-CD1 4.34Å; I8-L29 HydrophobicContact CD1-CD2 3.8Å
9T54.4Low54.5Low42 Ų42100.3 Ų100.326%0.25853%0.533SS..THydrogen-bonded Turntrans-88.7-24.117463.30000113.4D7 D11 R33 R36D7-T9 VanDerWaalsContact C-N 3.28Å; D7-T9 PolarHBondContact O-N 2.94Å; D7-T9 WeakPolarHBondContact OD1-CG2 3.12Å; T9-D11 PolarHBondContact O-N 3.38Å; T9-R33 VanDerWaalsContact CG2-NH1 3.33Å; T9-R36 VanDerWaalsContact CG2-CZ 3.46Å; T9-R36 VanDerWaalsContact OG1-CZ 3.31Å; T9-R36 PolarHBondContact OG1-NH1 3.19Å; T9-R36 PolarHBondContact OG1-NH2 3.27Å
10D59.8Low54.3Low78 Ų78106.7 Ų106.742%0.41755%0.55SS..SBendtrans-78.8122.2-174.3-165-50.1000108.7A12 K13 K14D10-A12 PolarHBondContact O-N 3.29Å; D10-A12 WeakPolarHBondContact OD1-CA 3.43Å; D10-A12 WeakPolarHBondContact OD1-CB 3.49Å; D10-A12 PolarHBondContact OD1-N 2.96Å; D10-K13 HydrophobicContact CB-CB 3.98Å; D10-K13 HydrophobicContact CB-CD 3.8Å; D10-K13 HydrophobicContact CB-CG 3.78Å; D10-K13 CarbonylContact O-C 3.55Å; D10-K13 WeakPolarHBondContact O-CA 3.3Å; D10-K13 WeakPolarHBondContact O-CB 3.31Å; D10-K13 PolarHBondContact O-N 2.9Å; D10-K14 PolarHBondContact O-N 2.86Å
11D52.6Low53.9Low94 Ų94105.6 Ų105.650%0.50354%0.541SS..Hα-helixtrans-59.2-25.7177.8-92-77.8000112.4T9 K14 R15T9-D11 PolarHBondContact O-N 3.38Å; D11-K14 IonicContact OD2-NZ 3.85Å; D11-R15 VanDerWaalsContact O-CB 3.28Å; D11-R15 WeakPolarHBondContact O-CB 3.37Å; D11-R15 VanDerWaalsContact O-CG 3.26Å; D11-R15 WeakPolarHBondContact O-CG 3.42Å; D11-R15 PolarHBondContact O-N 2.97Å
12A55.7Low54.5Low65 Ų65106 Ų10654%0.53753%0.53SS..Hα-helixtrans-71-38.8170.600000111.8D10 R15 A16D10-A12 PolarHBondContact O-N 3.29Å; D10-A12 WeakPolarHBondContact OD1-CA 3.43Å; D10-A12 WeakPolarHBondContact OD1-CB 3.49Å; D10-A12 PolarHBondContact OD1-N 2.96Å; A12-R15 PolarHBondContact O-N 3.39Å; A12-A16 WeakPolarHBondContact O-CB 3.21Å; A12-A16 PolarHBondContact O-N 3.47Å
13K59.3Low54.5Low90 Ų90101 Ų10139%0.39153%0.526SS..Hα-helixtrans-69.4-38.4173.7-66.3177-171.5176.20111.5D10 A16 I17D10-K13 HydrophobicContact CB-CB 3.98Å; D10-K13 HydrophobicContact CB-CD 3.8Å; D10-K13 HydrophobicContact CB-CG 3.78Å; D10-K13 CarbonylContact O-C 3.55Å; D10-K13 WeakPolarHBondContact O-CA 3.3Å; D10-K13 WeakPolarHBondContact O-CB 3.31Å; D10-K13 PolarHBondContact O-N 2.9Å; K13-A16 PolarHBondContact O-N 2.99Å; K13-I17 WeakPolarHBondContact O-CB 3.38Å; K13-I17 WeakPolarHBondContact O-CD1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 3.11Å
14K56.8Low54.4Low46 Ų4698.4 Ų98.420%0.251%0.511CS..Hα-helixtrans-58.1-54169.8-69.1177.1-171.6164.40109.5I8 D10 D11 A16 I17 L18I8-K14 HydrophobicContact CG2-CB 4.48Å; I8-K14 HydrophobicContact CG2-CG 3.63Å; I8-K14 VanDerWaalsContact O-CE 3.28Å; I8-K14 WeakPolarHBondContact O-CE 3.35Å; D10-K14 PolarHBondContact O-N 2.86Å; D11-K14 IonicContact OD2-NZ 3.85Å; K14-A16 VanDerWaalsContact C-N 3.31Å; K14-A16 PolarHBondContact O-N 3.45Å; K14-I17 PolarHBondContact O-N 3.12Å; K14-L18 HydrophobicContact CB-CD1 4.09Å; K14-L18 WeakPolarHBondContact O-CA 3.35Å; K14-L18 WeakPolarHBondContact O-CB 3.31Å; K14-L18 WeakPolarHBondContact O-CG 3.18Å; K14-L18 PolarHBondContact O-N 3.33Å
15R55.4Low55.1Low198 Ų19896.4 Ų96.475%0.74750%0.501SS*.Hα-helixtrans-63.4-32.5-180-76175.2168.4153.8-1.4113.6D11 A12D11-R15 VanDerWaalsContact O-CB 3.28Å; D11-R15 WeakPolarHBondContact O-CB 3.37Å; D11-R15 VanDerWaalsContact O-CG 3.26Å; D11-R15 WeakPolarHBondContact O-CG 3.42Å; D11-R15 PolarHBondContact O-N 2.97Å; A12-R15 PolarHBondContact O-N 3.39Å
16A57.5Low55.7Low76 Ų7693 Ų9363%0.62848%0.478SS*.Hα-helixtrans-74.1-31.9176.200000113.4A12 K13 K14 P19A12-A16 WeakPolarHBondContact O-CB 3.21Å; A12-A16 PolarHBondContact O-N 3.47Å; K13-A16 PolarHBondContact O-N 2.99Å; K14-A16 VanDerWaalsContact C-N 3.31Å; K14-A16 PolarHBondContact O-N 3.45Å; A16-P19 WeakPolarHBondContact O-CD 3.48Å
17I53.3Low56.3Low87 Ų8789.7 Ų89.745%0.44647%0.465SS..Hα-helixtrans-87.7-22.5175.7-61.3166000111.6I8 K13 K14 P19I8-I17 HydrophobicContact CD1-CD1 4.49Å; I8-I17 HydrophobicContact CG1-CD1 4.41Å; I8-I17 HydrophobicContact CG2-CD1 4.34Å; K13-I17 WeakPolarHBondContact O-CB 3.38Å; K13-I17 WeakPolarHBondContact O-CD1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 3.11Å; K14-I17 PolarHBondContact O-N 3.12Å; I17-P19 WeakPolarHBondContact O-CD 3.37Å
18L51.8Low57.1Low75 Ų7590.9 Ų90.939%0.39348%0.477SS..  trans-102.247.3-178.6-57.2174.8000115.3K14 R20 F21K14-L18 HydrophobicContact CB-CD1 4.09Å; K14-L18 WeakPolarHBondContact O-CA 3.35Å; K14-L18 WeakPolarHBondContact O-CB 3.31Å; K14-L18 WeakPolarHBondContact O-CG 3.18Å; K14-L18 PolarHBondContact O-N 3.33Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.93Å; L18-F21 HydrophobicContact CD2-CB 4.3Å; L18-F21 HydrophobicContact CD2-CD1 4.35Å; L18-F21 HydrophobicContact CD2-CD2 3.11Å; L18-F21 HydrophobicContact CD2-CE1 4.36Å; L18-F21 HydrophobicContact CD2-CE2 3.15Å; L18-F21 HydrophobicContact CD2-CG 3.72Å; L18-F21 HydrophobicContact CD2-CZ 3.76Å; L18-F21 HydrophobicContact CG-CD2 4.47Å
19P49.1Very low58Low101 Ų10191.2 Ų91.266%0.65648%0.479SS*.SBendtrans-73.7-19.2170.8-14.429000113.8A16 I17A16-P19 WeakPolarHBondContact O-CD 3.48Å; I17-P19 WeakPolarHBondContact O-CD 3.37Å
20R49Very low59.3Low228 Ų22889.2 Ų89.286%0.8647%0.467SS*.  trans-16048.8-167.4-57.6-177.6110.2155.53.1115.4L18 R22L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.93Å; R20-R22 VanDerWaalsContact C-N 3.25Å; R20-R22 PolarHBondContact O-N 3.3Å
21F47.8Very low60.2Low85 Ų8593.2 Ų93.237%0.37348%0.476SS..  trans-65.674.8-168.6-128.4-115.2000115.1L18 S24 L29L18-F21 HydrophobicContact CD2-CB 4.3Å; L18-F21 HydrophobicContact CD2-CD1 4.35Å; L18-F21 HydrophobicContact CD2-CD2 3.11Å; L18-F21 HydrophobicContact CD2-CE1 4.36Å; L18-F21 HydrophobicContact CD2-CE2 3.15Å; L18-F21 HydrophobicContact CD2-CG 3.72Å; L18-F21 HydrophobicContact CD2-CZ 3.76Å; L18-F21 HydrophobicContact CG-CD2 4.47Å; F21-S24 WeakPolarHBondContact CE1-O 3.37Å; F21-S24 VanDerWaalsContact CE2-OG 3.27Å; F21-S24 WeakPolarHBondContact CE2-OG 3.4Å; F21-S24 WeakPolarHBondContact CZ-OG 3.24Å; F21-L29 HydrophobicContact CE1-CD1 3.84Å; F21-L29 HydrophobicContact CE1-CG 4.38Å; F21-L29 HydrophobicContact CZ-CD1 3.73Å; F21-L29 HydrophobicContact CZ-CD2 4.04Å; F21-L29 HydrophobicContact CZ-CG 3.95Å
22R52.7Low61.5Low252 Ų25289.5 Ų89.595%0.95146%0.457SS*.SBendtrans-11033.6166.7-74-167.5-177.9160.6-0.1109.8R20R20-R22 VanDerWaalsContact C-N 3.25Å; R20-R22 PolarHBondContact O-N 3.3Å
23G50.2Low62.9Low75 Ų7586.7 Ų86.777%0.77343%0.433SS*.SBendtrans-172.1-17.1-173.900000120.9
24S55.2Low64.3Low61 Ų6185.7 Ų85.743%0.42743%0.432SS..  trans-96.9124.9174.2-25.10000110.9F21F21-S24 WeakPolarHBondContact CE1-O 3.37Å; F21-S24 VanDerWaalsContact CE2-OG 3.27Å; F21-S24 WeakPolarHBondContact CE2-OG 3.4Å; F21-S24 WeakPolarHBondContact CZ-OG 3.24Å
25S66.2Low65.9Low62 Ų6284.7 Ų84.743%0.43443%0.428SS..  trans-63.8137.1179.8179.80000110.1Y27 S28S25-Y27 PolarHBondContact O-N 2.96Å; S25-Y27 PolarHBondContact OG-N 3.4Å; S25-S28 WeakPolarHBondContact O-CB 3.11Å; S25-S28 PolarHBondContact O-N 3.44Å
26M70.7Confident67.5Low17 Ų1779.6 Ų79.68%0.08441%0.409CS..Hα-helixtrans-33.8-44.8163.7162.2-169.679.800112.1S28 L29 I30 C55 F57 A60 V61 A64M26-S28 VanDerWaalsContact C-N 3.26Å; M26-S28 PolarHBondContact O-N 2.91Å; M26-L29 PolarHBondContact O-N 3.49Å; M26-I30 HydrophobicContact CG-CD1 3.65Å; M26-I30 HydrophobicContact CG-CG1 4.45Å; M26-I30 PolarHBondContact O-N 2.93Å; M26-I30 VanDerWaalsContact O-N 3.11Å; M26-I30 HydrophobicContact SD-CD1 4.35Å; M26-C55 HydrophobicContact CB-CB 4.33Å; M26-C55 VanDerWaalsContact CB-SG 3.53Å; M26-C55 HydrophobicContact CG-CB 3.88Å; M26-C55 WeakPolarHBondContact CG-SG 3.39Å; M26-C55 HydrophobicContact SD-CB 3.41Å; M26-C55 WeakPolarHBondContact SD-CB 3.39Å; M26-F57 HydrophobicContact CE-CB 4.47Å; M26-F57 HydrophobicContact SD-CB 4.5Å; M26-A60 HydrophobicContact CE-CB 4.27Å; M26-V61 HydrophobicContact CE-CG2 4.37Å; M26-V61 HydrophobicContact SD-CB 4.3Å; M26-V61 HydrophobicContact SD-CG2 3.4Å; M26-V61 WeakPolarHBondContact SD-CG2 3.47Å; M26-A64 HydrophobicContact CE-CB 4.44Å
27Y70.9Confident68.7Low84 Ų8481.4 Ų81.433%0.32941%0.414SS..Hα-helixtrans-57.6-37.4-179.2-81-85.4000112.6S25 R31 A60 A64S25-Y27 PolarHBondContact O-N 2.96Å; S25-Y27 PolarHBondContact OG-N 3.4Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 WeakPolarHBondContact O-CD 3.47Å; Y27-R31 WeakPolarHBondContact O-CG 3.42Å; Y27-R31 PolarHBondContact O-N 3.3Å; Y27-A60 HydrophobicContact CE2-CB 4.44Å; Y27-A60 WeakPolarHBondContact OH-CB 3.35Å; Y27-A60 PolarHBondContact OH-O 2.64Å; Y27-A64 HydrophobicContact CD1-CB 3.74Å; Y27-A64 HydrophobicContact CE1-CB 3.6Å
28S73.5Confident70.3Confident71 Ų7185.5 Ų85.550%0.49744%0.436SS..Hα-helixtrans-69.3-40.8179.8-59.40000112S25 M26 S32S25-S28 WeakPolarHBondContact O-CB 3.11Å; S25-S28 PolarHBondContact O-N 3.44Å; M26-S28 VanDerWaalsContact C-N 3.26Å; M26-S28 PolarHBondContact O-N 2.91Å; S28-S32 WeakPolarHBondContact O-CB 3.32Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 PolarHBondContact O-OG 2.77Å
29L76.5Confident72.1Confident29 Ų2983.5 Ų83.515%0.15243%0.425CS..Hα-helixtrans-65-51.2178.5-69.7178.2000110.7I8 F21 M26 R31 S32I8-L29 HydrophobicContact CD1-CD2 3.8Å; F21-L29 HydrophobicContact CE1-CD1 3.84Å; F21-L29 HydrophobicContact CE1-CG 4.38Å; F21-L29 HydrophobicContact CZ-CD1 3.73Å; F21-L29 HydrophobicContact CZ-CD2 4.04Å; F21-L29 HydrophobicContact CZ-CG 3.95Å; M26-L29 PolarHBondContact O-N 3.49Å; L29-R31 PolarHBondContact O-N 3.36Å; L29-S32 PolarHBondContact O-N 3.35Å; L29-S32 PolarHBondContact O-OG 3.28Å
30I81.5Confident74.2Confident0 Ų080.2 Ų80.20%041%0.405CS..Hα-helixtrans-58.5-50.1177.2-64.7173.4000109.4M26 S32 R33 L48 A64 L65 R68M26-I30 HydrophobicContact CG-CD1 3.65Å; M26-I30 HydrophobicContact CG-CG1 4.45Å; M26-I30 PolarHBondContact O-N 2.93Å; M26-I30 VanDerWaalsContact O-N 3.11Å; M26-I30 HydrophobicContact SD-CD1 4.35Å; I30-S32 PolarHBondContact O-N 3.24Å; I30-R33 PolarHBondContact O-N 2.71Å; I30-R33 VanDerWaalsContact O-N 3.17Å; I30-L48 HydrophobicContact CG2-CD2 4.27Å; I30-A64 HydrophobicContact CD1-CB 3.86Å; I30-A64 HydrophobicContact CG2-CB 4.27Å; I30-L65 HydrophobicContact CD1-CD2 4.2Å; I30-L65 HydrophobicContact CG2-CD2 4.37Å; I30-R68 HydrophobicContact CG2-CB 3.69Å; I30-R68 HydrophobicContact CG2-CG 4.2Å; I30-R68 VanDerWaalsContact O-CG 3.24Å; I30-R68 WeakPolarHBondContact O-CG 3.48Å; I30-R68 PolarHBondContact O-NE 3.3Å
31R78.8Confident76.2Confident161 Ų16169.6 Ų69.661%0.60837%0.365SS*.Hα-helixtrans-65.3-18.5-179.3-73.8177.661.570.34.4114.9Y27 L29 R68Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 WeakPolarHBondContact O-CD 3.47Å; Y27-R31 WeakPolarHBondContact O-CG 3.42Å; Y27-R31 PolarHBondContact O-N 3.3Å; L29-R31 PolarHBondContact O-N 3.36Å; R31-R68 PolarHBondContact O-NE 2.87Å; R31-R68 PolarHBondContact O-NH1 3.27Å; R31-R68 PolarHBondContact O-NH2 2.63Å
32S79.6Confident78.3Confident17 Ų1766.3 Ų66.312%0.11935%0.354CS..Hα-helixtrans-80.2-24.7177.670.70000112.4S28 L29 I30 D34 R68S28-S32 WeakPolarHBondContact O-CB 3.32Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 PolarHBondContact O-OG 2.77Å; L29-S32 PolarHBondContact O-N 3.35Å; L29-S32 PolarHBondContact O-OG 3.28Å; I30-S32 PolarHBondContact O-N 3.24Å; S32-D34 PolarHBondContact O-N 2.69Å; S32-R68 PolarHBondContact O-NH2 3.06Å
33R85.3Confident80.1Confident6 Ų658.8 Ų58.82%0.02333%0.332CS..  trans-87.1104.8-170-179.460-175.1140.212.1113.6D7 T9 I30 E39 F44 L48 L51 R68D7-R33 IonicContact OD1-CZ 3.62Å; D7-R33 IonicContact OD1-NH1 2.92Å; D7-R33 PolarHBondContact OD1-NH1 2.96Å; D7-R33 IonicContact OD2-NH1 2.72Å; T9-R33 VanDerWaalsContact CG2-NH1 3.33Å; I30-R33 PolarHBondContact O-N 2.71Å; I30-R33 VanDerWaalsContact O-N 3.17Å; R33-E39 IonicContact CZ-OE1 3.81Å; R33-E39 IonicContact CZ-OE2 3.99Å; R33-E39 IonicContact NH2-OE1 3.59Å; R33-E39 PolarHBondContact NH2-OE1 3.07Å; R33-E39 IonicContact NH2-OE2 2.71Å; R33-E39 PolarHBondContact NH2-OE2 2.96Å; R33-F44 HydrophobicContact CG-CE2 4.09Å; R33-F44 VanDerWaalsContact O-CE2 3.25Å; R33-F44 WeakPolarHBondContact O-CE2 3.44Å; R33-L48 HydrophobicContact CB-CD2 3.83Å; R33-L48 HydrophobicContact CG-CD2 3.82Å; R33-L51 HydrophobicContact CB-CD1 3.74Å; R33-L51 HydrophobicContact CG-CD1 4Å; R33-R68 VanDerWaalsContact C-CZ 3.49Å; R33-R68 VanDerWaalsContact C-NE 3.31Å; R33-R68 PolarHBondContact O-NE 3.04Å; R33-R68 PolarHBondContact O-NH2 3.22Å
34D88.6Confident82.1Confident68 Ų6855.2 Ų55.236%0.36430%0.295SS..PPolyproline II helixtrans-93157.7173-76-54.9000111.8S32 R36 R68 G72S32-D34 PolarHBondContact O-N 2.69Å; D34-R36 PolarHBondContact O-N 3.39Å; D34-R68 VanDerWaalsContact CG-CZ 3.43Å; D34-R68 IonicContact OD1-CZ 3.73Å; D34-R68 IonicContact OD1-NE 2.73Å; D34-R68 IonicContact OD1-NH1 2.77Å; D34-R68 PolarHBondContact OD1-NH1 2.88Å; D34-R68 IonicContact OD1-NH2 3.92Å; D34-R68 PolarHBondContact OD1-NH2 2.92Å; D34-R68 IonicContact OD2-CZ 2.85Å; D34-R68 IonicContact OD2-NH1 3.89Å; D34-R68 IonicContact OD2-NH2 2.67Å; D34-R68 PolarHBondContact OD2-NH2 2.77Å; D34-G72 VanDerWaalsContact OD1-CA 3.24Å; D34-G72 WeakPolarHBondContact OD1-CA 3.45Å
35Q90.6Very high83.9Confident26 Ų2652.3 Ų52.312%0.12128%0.275CS..PPolyproline II helixtrans-65.9125.2170.3-175.7179.511.800108.9E39 F44 G72 A74Q35-E39 HydrophobicContact CG-CB 4.23Å; Q35-E39 PolarHBondContact NE2-O 2.67Å; Q35-F44 HydrophobicContact CB-CB 4.38Å; Q35-F44 HydrophobicContact CB-CD1 4.1Å; Q35-F44 HydrophobicContact CB-CD2 4.01Å; Q35-F44 HydrophobicContact CB-CE1 4.35Å; Q35-F44 HydrophobicContact CB-CE2 4.28Å; Q35-F44 HydrophobicContact CB-CG 3.91Å; Q35-F44 HydrophobicContact CB-CZ 4.44Å; Q35-F44 HydrophobicContact CG-CB 4.2Å; Q35-F44 HydrophobicContact CG-CG 4.27Å; Q35-F44 VanDerWaalsContact N-CE2 3.29Å; Q35-G72 WeakPolarHBondContact CB-O 3.17Å; Q35-G72 PolarHBondContact N-O 2.9Å; Q35-A74 HydrophobicContact CB-CB 4.31Å; Q35-A74 HydrophobicContact CG-CB 4.27Å
36R89.3Confident85Confident91 Ų9150.7 Ų50.734%0.34327%0.265SS..PPolyproline II helixtrans-71.1153.7177.8-69.2167.4162-176.9-16.1111.4D7 T9 D34 N38 E39D7-R36 IonicContact OD1-CZ 3.49Å; D7-R36 IonicContact OD1-NE 3.28Å; D7-R36 PolarHBondContact OD1-NE 3.46Å; D7-R36 IonicContact OD1-NH2 3.06Å; D7-R36 PolarHBondContact OD1-NH2 3.21Å; D7-R36 IonicContact OD2-CZ 3.18Å; D7-R36 IonicContact OD2-NE 2.77Å; D7-R36 PolarHBondContact OD2-NE 2.92Å; D7-R36 IonicContact OD2-NH2 2.69Å; D7-R36 PolarHBondContact OD2-NH2 3.49Å; T9-R36 VanDerWaalsContact CG2-CZ 3.46Å; T9-R36 VanDerWaalsContact OG1-CZ 3.31Å; T9-R36 PolarHBondContact OG1-NH1 3.19Å; T9-R36 PolarHBondContact OG1-NH2 3.27Å; D34-R36 PolarHBondContact O-N 3.39Å; R36-N38 PolarHBondContact O-N 2.72Å; R36-N38 VanDerWaalsContact O-N 3.12Å; R36-E39 HydrophobicContact CB-CB 3.87Å; R36-E39 PolarHBondContact N-OE2 2.9Å; R36-E39 PolarHBondContact O-N 2.85Å
37P81.7Confident85.8Confident114 Ų11451 Ų5174%0.7427%0.271SS*.THydrogen-bonded Turntrans-58.9121.716726.5-33000108.5
38N87.1Confident86.7Confident172 Ų17247 Ų4792%0.9226%0.255SS*.THydrogen-bonded Turntrans80.46.7-176.1-42.9-54.8000117.3R36R36-N38 PolarHBondContact O-N 2.72Å; R36-N38 VanDerWaalsContact O-N 3.12Å
39E90.3Very high87.3Confident34 Ų3446.9 Ų46.916%0.15924%0.244CC..  trans-82.2137.5169.9-178.3173.8-149.800110.3R33 Q35 R36 D43 F44R33-E39 IonicContact CZ-OE1 3.81Å; R33-E39 IonicContact CZ-OE2 3.99Å; R33-E39 IonicContact NH2-OE1 3.59Å; R33-E39 PolarHBondContact NH2-OE1 3.07Å; R33-E39 IonicContact NH2-OE2 2.71Å; R33-E39 PolarHBondContact NH2-OE2 2.96Å; Q35-E39 HydrophobicContact CG-CB 4.23Å; Q35-E39 PolarHBondContact NE2-O 2.67Å; R36-E39 HydrophobicContact CB-CB 3.87Å; R36-E39 PolarHBondContact N-OE2 2.9Å; R36-E39 PolarHBondContact O-N 2.85Å; E39-D43 HydrophobicContact CG-CB 3.78Å; E39-F44 HydrophobicContact CG-CB 4.23Å
40S91.7Very high87.7Confident32 Ų3253.8 Ų53.822%0.22427%0.268CS..  trans-72.2156.8174.475.70000110.9A42 D43 F44S40-A42 PolarHBondContact O-N 3.41Å; S40-D43 PolarHBondContact O-N 2.99Å; S40-D43 PolarHBondContact OG-N 3.16Å; S40-D43 VanDerWaalsContact OG-N 3.08Å; S40-D43 PolarHBondContact OG-OD2 2.92Å; S40-F44 WeakPolarHBondContact O-CB 3.39Å; S40-F44 PolarHBondContact O-N 3.28Å
41I92Very high87.7Confident5 Ų555 Ų553%0.02627%0.274CS..Hα-helixtrans-60.3-35.2175.4-64.7-179.7000110.6V45 L69 L78 A97 L98 E101I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CB 3.48Å; I41-V45 WeakPolarHBondContact O-CG2 3.2Å; I41-V45 PolarHBondContact O-N 2.87Å; I41-L69 HydrophobicContact CG2-CD1 4.47Å; I41-L78 HydrophobicContact CD1-CD2 3.58Å; I41-A97 HydrophobicContact CD1-CB 3.95Å; I41-A97 WeakPolarHBondContact CD1-O 3.36Å; I41-A97 HydrophobicContact CG2-CB 3.86Å; I41-L98 HydrophobicContact CB-CD2 4.27Å; I41-L98 HydrophobicContact CG2-CD2 4.17Å; I41-E101 HydrophobicContact CD1-CB 3.84Å; I41-E101 HydrophobicContact CD1-CG 4.47Å; I41-E101 HydrophobicContact CG1-CB 4.49Å; I41-E101 WeakPolarHBondContact CG1-OE1 3.46Å; I41-E101 PolarHBondContact N-OE1 2.85Å
42A91.5Very high87.9Confident16 Ų1647.9 Ų47.913%0.13225%0.249CC..Hα-helixtrans-63.7-46.1177.200000112.5S40 V45 A46 L98 V150 L154S40-A42 PolarHBondContact O-N 3.41Å; A42-V45 PolarHBondContact O-N 2.86Å; A42-A46 WeakPolarHBondContact O-CB 3.2Å; A42-A46 PolarHBondContact O-N 3.06Å; A42-L98 HydrophobicContact CB-CD2 4.26Å; A42-V150 HydrophobicContact CB-CG1 3.76Å; A42-L154 HydrophobicContact CB-CD1 4.02Å; A42-L154 HydrophobicContact CB-CD2 4.42Å; A42-L154 WeakPolarHBondContact O-CD2 3.5Å
43D90.9Very high87.9Confident94 Ų9453.8 Ų53.850%0.50328%0.275SS..Hα-helixtrans-65.8-41.7179.1-63.8-43.7000111.5E39 S40 V45 A46 A47E39-D43 HydrophobicContact CG-CB 3.78Å; S40-D43 PolarHBondContact O-N 2.99Å; S40-D43 PolarHBondContact OG-N 3.16Å; S40-D43 VanDerWaalsContact OG-N 3.08Å; S40-D43 PolarHBondContact OG-OD2 2.92Å; D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 2.87Å; D43-A46 PolarHBondContact O-N 3.08Å; D43-A47 PolarHBondContact O-N 3.25Å
44F92.4Very high87.1Confident0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-58-47.4175.2174.8-127.2000111.3R33 Q35 E39 S40 A47 L48 R68 L69R33-F44 HydrophobicContact CG-CE2 4.09Å; R33-F44 VanDerWaalsContact O-CE2 3.25Å; R33-F44 WeakPolarHBondContact O-CE2 3.44Å; Q35-F44 HydrophobicContact CB-CB 4.38Å; Q35-F44 HydrophobicContact CB-CD1 4.1Å; Q35-F44 HydrophobicContact CB-CD2 4.01Å; Q35-F44 HydrophobicContact CB-CE1 4.35Å; Q35-F44 HydrophobicContact CB-CE2 4.28Å; Q35-F44 HydrophobicContact CB-CG 3.91Å; Q35-F44 HydrophobicContact CB-CZ 4.44Å; Q35-F44 HydrophobicContact CG-CB 4.2Å; Q35-F44 HydrophobicContact CG-CG 4.27Å; Q35-F44 VanDerWaalsContact N-CE2 3.29Å; E39-F44 HydrophobicContact CG-CB 4.23Å; S40-F44 WeakPolarHBondContact O-CB 3.39Å; S40-F44 PolarHBondContact O-N 3.28Å; F44-A47 WeakPolarHBondContact O-CB 3.45Å; F44-A47 PolarHBondContact O-N 2.85Å; F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.42Å; F44-L48 HydrophobicContact CE1-CD1 3.86Å; F44-L48 HydrophobicContact CE2-CD1 4.14Å; F44-L48 HydrophobicContact CE2-CD2 4.11Å; F44-L48 HydrophobicContact CE2-CG 4.08Å; F44-L48 HydrophobicContact CZ-CD1 3.76Å; F44-L48 HydrophobicContact CZ-CD2 4.29Å; F44-L48 HydrophobicContact CZ-CG 4.2Å; F44-L48 WeakPolarHBondContact O-CG 3.42Å; F44-L48 PolarHBondContact O-N 3.43Å; F44-R68 HydrophobicContact CZ-CG 4.28Å; F44-L69 HydrophobicContact CD1-CD1 4.16Å; F44-L69 HydrophobicContact CE1-CD1 4.14Å
45V91.6Very high86.2Confident0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-65.2-41.3178.2165.60000111.8I41 A42 D43 A47 L48 R49 L69 F90 L94 L154I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CB 3.48Å; I41-V45 WeakPolarHBondContact O-CG2 3.2Å; I41-V45 PolarHBondContact O-N 2.87Å; A42-V45 PolarHBondContact O-N 2.86Å; D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 2.87Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.19Å; V45-L48 PolarHBondContact O-N 2.91Å; V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 3.4Å; V45-L69 HydrophobicContact CG2-CD1 3.66Å; V45-F90 HydrophobicContact CG1-CE1 4.34Å; V45-F90 HydrophobicContact CG1-CZ 3.79Å; V45-F90 HydrophobicContact CG2-CZ 4.42Å; V45-L94 HydrophobicContact CB-CD1 4.15Å; V45-L94 HydrophobicContact CG1-CD1 3.99Å; V45-L94 HydrophobicContact CG1-CD2 4.13Å; V45-L94 HydrophobicContact CG2-CD1 3.52Å; V45-L154 HydrophobicContact CB-CD1 4.45Å; V45-L154 HydrophobicContact CG1-CD1 4.15Å
46A89.9Confident85Confident28 Ų2865.2 Ų65.223%0.23133%0.334CS..Hα-helixtrans-60.1-41.1174.300000111.5A42 D43 R49 R50 L154A42-A46 WeakPolarHBondContact O-CB 3.2Å; A42-A46 PolarHBondContact O-N 3.06Å; D43-A46 PolarHBondContact O-N 3.08Å; A46-R49 PolarHBondContact O-N 3.49Å; A46-R50 WeakPolarHBondContact O-CG 3.33Å; A46-R50 PolarHBondContact O-N 3.11Å; A46-L154 HydrophobicContact CB-CD2 3.96Å
47A88Confident83.7Confident24 Ų2467.6 Ų67.620%0.19835%0.347CS..Hα-helixtrans-63.9-42175.100000112.2D43 F44 V45 R50 L51D43-A47 PolarHBondContact O-N 3.25Å; F44-A47 WeakPolarHBondContact O-CB 3.45Å; F44-A47 PolarHBondContact O-N 2.85Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.19Å; A47-R50 PolarHBondContact O-N 2.81Å; A47-L51 WeakPolarHBondContact O-CG 3.25Å; A47-L51 PolarHBondContact O-N 2.96Å; A47-L51 VanDerWaalsContact O-N 3.1Å
48L89Confident83.1Confident0 Ų064.8 Ų64.80%034%0.339CS..Hα-helixtrans-62.1-43.5174.7-66.2178000111.8I30 R33 F44 V45 R50 L51 S52 L65 R68I30-L48 HydrophobicContact CG2-CD2 4.27Å; R33-L48 HydrophobicContact CB-CD2 3.83Å; R33-L48 HydrophobicContact CG-CD2 3.82Å; F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.42Å; F44-L48 HydrophobicContact CE1-CD1 3.86Å; F44-L48 HydrophobicContact CE2-CD1 4.14Å; F44-L48 HydrophobicContact CE2-CD2 4.11Å; F44-L48 HydrophobicContact CE2-CG 4.08Å; F44-L48 HydrophobicContact CZ-CD1 3.76Å; F44-L48 HydrophobicContact CZ-CD2 4.29Å; F44-L48 HydrophobicContact CZ-CG 4.2Å; F44-L48 WeakPolarHBondContact O-CG 3.42Å; F44-L48 PolarHBondContact O-N 3.43Å; V45-L48 PolarHBondContact O-N 2.91Å; L48-R50 PolarHBondContact O-N 2.77Å; L48-L51 PolarHBondContact O-N 2.73Å; L48-S52 PolarHBondContact O-N 3.28Å; L48-S52 VanDerWaalsContact O-N 3.07Å; L48-S52 PolarHBondContact O-OG 2.82Å; L48-L65 HydrophobicContact CB-CD2 3.61Å; L48-R68 HydrophobicContact CD1-CB 4.37Å; L48-R68 HydrophobicContact CD1-CG 4.21Å; L48-R68 HydrophobicContact CD2-CB 4.39Å; L48-R68 HydrophobicContact CD2-CG 3.73Å
49R87.2Confident82.5Confident68 Ų6863.3 Ų63.326%0.25733%0.331SS..Hα-helixtrans-60.5-43.3176.7-74.1-166.2-175.7-74.17.2112V45 A46 L51 S52 E53 L154V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 3.4Å; A46-R49 PolarHBondContact O-N 3.49Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 2.91Å; R49-S52 WeakPolarHBondContact CA-OG 3.46Å; R49-S52 CarbonylContact O-C 3.43Å; R49-S52 WeakPolarHBondContact O-CA 3.45Å; R49-S52 PolarHBondContact O-N 3.44Å; R49-S52 PolarHBondContact O-OG 3.48Å; R49-E53 PolarHBondContact O-N 2.63Å; R49-L154 WeakPolarHBondContact CD-O 3.35Å; R49-L154 PolarHBondContact NE-O 3.12Å
50R84.6Confident82Confident173 Ų17363.1 Ų63.165%0.65334%0.335SS*.Hα-helixtrans-60.9-37.7174.9-71.4175.3-175.4-167.62.4112.9A46 A47 L48 S52 E53A46-R50 WeakPolarHBondContact O-CG 3.33Å; A46-R50 PolarHBondContact O-N 3.11Å; A47-R50 PolarHBondContact O-N 2.81Å; L48-R50 PolarHBondContact O-N 2.77Å; R50-S52 VanDerWaalsContact C-N 3.26Å; R50-S52 PolarHBondContact O-N 3.03Å; R50-E53 WeakPolarHBondContact O-CB 3.17Å; R50-E53 PolarHBondContact O-N 3.08Å
51L82.2Confident81.6Confident25 Ų2562.3 Ų62.313%0.13133%0.329CS..Hα-helixtrans-67.6-29.8174.2-68.3171.9000112R33 A47 L48 R49R33-L51 HydrophobicContact CB-CD1 3.74Å; R33-L51 HydrophobicContact CG-CD1 4Å; A47-L51 WeakPolarHBondContact O-CG 3.25Å; A47-L51 PolarHBondContact O-N 2.96Å; A47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 PolarHBondContact O-N 2.73Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 2.91Å
52S82.8Confident81.3Confident13 Ų1365.4 Ų65.49%0.09135%0.346CS..Hα-helixtrans-89.1-7.8177.264.40000115.3L48 R49 R50 H54 C55L48-S52 PolarHBondContact O-N 3.28Å; L48-S52 VanDerWaalsContact O-N 3.07Å; L48-S52 PolarHBondContact O-OG 2.82Å; R49-S52 WeakPolarHBondContact CA-OG 3.46Å; R49-S52 CarbonylContact O-C 3.43Å; R49-S52 WeakPolarHBondContact O-CA 3.45Å; R49-S52 PolarHBondContact O-N 3.44Å; R49-S52 PolarHBondContact O-OG 3.48Å; R50-S52 VanDerWaalsContact C-N 3.26Å; R50-S52 PolarHBondContact O-N 3.03Å; S52-H54 PolarHBondContact O-N 3.25Å; S52-H54 VanDerWaalsContact O-N 3.12Å; S52-C55 WeakPolarHBondContact O-CB 3.5Å; S52-C55 PolarHBondContact O-N 3.36Å
53E78.8Confident81Confident141 Ų14170.3 Ų70.366%0.65936%0.364SS*.THydrogen-bonded Turntrans-55.1-35.9-172.9-177.2177.4-167.400112.9R49 R50 C55R49-E53 PolarHBondContact O-N 2.63Å; R50-E53 WeakPolarHBondContact O-CB 3.17Å; R50-E53 PolarHBondContact O-N 3.08Å; E53-C55 VanDerWaalsContact C-N 3.32Å; E53-C55 PolarHBondContact O-N 2.7Å
54H69.6Low80.8Confident158 Ų15866 Ų6673%0.73134%0.341SS*.THydrogen-bonded Turntrans-93.312.2-178.4-58.880.2000113S52S52-H54 PolarHBondContact O-N 3.25Å; S52-H54 VanDerWaalsContact O-N 3.12Å
55C69.8Low80.6Confident27 Ų2766 Ų6618%0.18234%0.341CS..  trans-99.5106.6-173-60.30000111.4M26 S52 E53 F57 V61M26-C55 HydrophobicContact CB-CB 4.33Å; M26-C55 VanDerWaalsContact CB-SG 3.53Å; M26-C55 HydrophobicContact CG-CB 3.88Å; M26-C55 WeakPolarHBondContact CG-SG 3.39Å; M26-C55 HydrophobicContact SD-CB 3.41Å; M26-C55 WeakPolarHBondContact SD-CB 3.39Å; S52-C55 WeakPolarHBondContact O-CB 3.5Å; S52-C55 PolarHBondContact O-N 3.36Å; E53-C55 VanDerWaalsContact C-N 3.32Å; E53-C55 PolarHBondContact O-N 2.7Å; C55-F57 PolarHBondContact O-N 3.46Å; C55-V61 HydrophobicContact CB-CG2 3.79Å
56N64.8Low80.5Confident155 Ų15568.6 Ų68.683%0.82935%0.351SS*.  trans-78.532-179.7-76.95.3000114.5
57F61.9Low80.5Confident140 Ų14070.4 Ų70.461%0.61436%0.357SS*.  trans-120.863.4-172.4-64-76.7000112.6M26 C55 N59 A60 V61M26-F57 HydrophobicContact CE-CB 4.47Å; M26-F57 HydrophobicContact SD-CB 4.5Å; C55-F57 PolarHBondContact O-N 3.46Å; F57-N59 PolarHBondContact O-N 3Å; F57-A60 HydrophobicContact CB-CB 4.05Å; F57-A60 WeakPolarHBondContact O-CA 3.46Å; F57-A60 WeakPolarHBondContact O-CB 3.31Å; F57-A60 PolarHBondContact O-N 3.39Å; F57-V61 WeakPolarHBondContact O-CG2 3.3Å; F57-V61 PolarHBondContact O-N 3.17Å
58G70Confident80.6Confident56 Ų5670.4 Ų70.458%0.57735%0.352SS*.Hα-helixtrans0.7-109173.500000117.1A60 V61G58-A60 PolarHBondContact O-N 3.19Å; G58-A60 VanDerWaalsContact O-N 3.12Å; G58-V61 WeakPolarHBondContact O-CB 3.44Å; G58-V61 PolarHBondContact O-N 3.28Å; G58-V61 VanDerWaalsContact O-N 3.17Å
59N73.2Confident80.7Confident140 Ų14070.4 Ų70.475%0.74935%0.352SS*.Hα-helixtrans-64-19.4-175.5-62.9-10.1000114.4F57 V61 K63F57-N59 PolarHBondContact O-N 3Å; N59-V61 VanDerWaalsContact C-N 3.35Å; N59-K63 PolarHBondContact O-N 2.82Å
60A79.8Confident80.9Confident31 Ų3167.8 Ų67.826%0.25634%0.343SS..Hα-helixtrans-71.1-33.7178.600000111.4M26 Y27 F57 G58 A64M26-A60 HydrophobicContact CE-CB 4.27Å; Y27-A60 HydrophobicContact CE2-CB 4.44Å; Y27-A60 WeakPolarHBondContact OH-CB 3.35Å; Y27-A60 PolarHBondContact OH-O 2.64Å; F57-A60 HydrophobicContact CB-CB 4.05Å; F57-A60 WeakPolarHBondContact O-CA 3.46Å; F57-A60 WeakPolarHBondContact O-CB 3.31Å; F57-A60 PolarHBondContact O-N 3.39Å; G58-A60 PolarHBondContact O-N 3.19Å; G58-A60 VanDerWaalsContact O-N 3.12Å; A60-A64 WeakPolarHBondContact O-CB 3.06Å; A60-A64 PolarHBondContact O-N 3.07Å
61V83.7Confident81.1Confident14 Ų1463.1 Ų63.19%0.08534%0.336CS..Hα-helixtrans-60.6-51.5172.7174.20000109.8M26 C55 F57 G58 N59 K63 A64 L65M26-V61 HydrophobicContact CE-CG2 4.37Å; M26-V61 HydrophobicContact SD-CB 4.3Å; M26-V61 HydrophobicContact SD-CG2 3.4Å; M26-V61 WeakPolarHBondContact SD-CG2 3.47Å; C55-V61 HydrophobicContact CB-CG2 3.79Å; F57-V61 WeakPolarHBondContact O-CG2 3.3Å; F57-V61 PolarHBondContact O-N 3.17Å; G58-V61 WeakPolarHBondContact O-CB 3.44Å; G58-V61 PolarHBondContact O-N 3.28Å; G58-V61 VanDerWaalsContact O-N 3.17Å; N59-V61 VanDerWaalsContact C-N 3.35Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.01Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 3.3Å; V61-L65 HydrophobicContact CG1-CD1 3.65Å; V61-L65 HydrophobicContact CG1-CG 3.98Å; V61-L65 WeakPolarHBondContact O-CB 3.48Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.22Å; V61-L65 PolarHBondContact O-N 2.96Å
62D86.1Confident81.4Confident71 Ų7162 Ų6238%0.3833%0.331SS..Hα-helixtrans-60.7-40.4-178.4-67.8-24.6000112.4R66 F90D62-R66 WeakPolarHBondContact O-CB 3.18Å; D62-R66 PolarHBondContact O-N 3.3Å; D62-F90 HydrophobicContact CB-CB 4.49Å
63K85.2Confident81.8Confident118 Ų11861.9 Ų61.951%0.51333%0.329SS..Hα-helixtrans-63.3-42.4174.8-171.4176.9-178.9178.80111.5N59 V61 N67N59-K63 PolarHBondContact O-N 2.82Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.01Å; K63-N67 WeakPolarHBondContact O-CB 3.31Å; K63-N67 PolarHBondContact O-N 2.96Å; K63-N67 PolarHBondContact O-OD1 3.17Å
64A85.9Confident82.3Confident3 Ų358.2 Ų58.23%0.02532%0.323CS..Hα-helixtrans-65.6-47.6177.600000111.7M26 Y27 I30 A60 V61 R66 N67 R68M26-A64 HydrophobicContact CE-CB 4.44Å; Y27-A64 HydrophobicContact CD1-CB 3.74Å; Y27-A64 HydrophobicContact CE1-CB 3.6Å; I30-A64 HydrophobicContact CD1-CB 3.86Å; I30-A64 HydrophobicContact CG2-CB 4.27Å; A60-A64 WeakPolarHBondContact O-CB 3.06Å; A60-A64 PolarHBondContact O-N 3.07Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 3.3Å; A64-R66 PolarHBondContact O-N 3.07Å; A64-N67 PolarHBondContact O-N 2.98Å; A64-R68 WeakPolarHBondContact O-CB 3.41Å; A64-R68 PolarHBondContact O-N 3.43Å
65L89.5Confident83.3Confident1 Ų152.9 Ų52.91%0.00530%0.3CS..Hα-helixtrans-59.7-45.7177.2-70.6177.8000111.1I30 L48 V61 R68 L69 F90I30-L65 HydrophobicContact CD1-CD2 4.2Å; I30-L65 HydrophobicContact CG2-CD2 4.37Å; L48-L65 HydrophobicContact CB-CD2 3.61Å; V61-L65 HydrophobicContact CG1-CD1 3.65Å; V61-L65 HydrophobicContact CG1-CG 3.98Å; V61-L65 WeakPolarHBondContact O-CB 3.48Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.22Å; V61-L65 PolarHBondContact O-N 2.96Å; L65-R68 PolarHBondContact O-N 3.14Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 3.28Å; L65-F90 HydrophobicContact CB-CD2 3.63Å; L65-F90 HydrophobicContact CB-CE2 3.68Å; L65-F90 HydrophobicContact CB-CG 4.18Å; L65-F90 HydrophobicContact CB-CZ 4.28Å
66R89.5Confident84.3Confident55 Ų5558.4 Ų58.421%0.20832%0.323CS..Hα-helixtrans-62.1-50.3177-179.1-163.366.3167.310.7112D62 A64 R68 L69 V70 V87 G88 F90D62-R66 WeakPolarHBondContact O-CB 3.18Å; D62-R66 PolarHBondContact O-N 3.3Å; A64-R66 PolarHBondContact O-N 3.07Å; R66-R68 PolarHBondContact O-N 2.98Å; R66-L69 PolarHBondContact O-N 2.74Å; R66-V70 WeakPolarHBondContact O-CG2 3.32Å; R66-V70 PolarHBondContact O-N 3.45Å; R66-V87 WeakPolarHBondContact CD-O 3.38Å; R66-G88 WeakPolarHBondContact CD-O 3.5Å; R66-G88 PolarHBondContact NH1-O 3.29Å; R66-F90 HydrophobicContact CB-CB 4.17Å; R66-F90 HydrophobicContact CB-CD2 4.23Å
67N88.9Confident85.6Confident65 Ų6555.5 Ų55.535%0.34831%0.311SS..Hα-helixtrans-60-38.8179.4-72.63.6000110.6K63 A64 C71K63-N67 WeakPolarHBondContact O-CB 3.31Å; K63-N67 PolarHBondContact O-N 2.96Å; K63-N67 PolarHBondContact O-OD1 3.17Å; A64-N67 PolarHBondContact O-N 2.98Å; N67-C71 VanDerWaalsContact O-CB 3.31Å; N67-C71 WeakPolarHBondContact O-CB 3.47Å; N67-C71 PolarHBondContact O-N 3.47Å; N67-C71 PolarHBondContact O-SG 2.95Å
68R90.7Very high86.9Confident25 Ų2549 Ų499%0.09428%0.282CS..Hα-helixtrans-73.3-37.8176.9-17156.1161.7160.9-3.2113.5I30 R31 S32 R33 D34 F44 L48 A64 L65 R66 V70 C71 G72I30-R68 HydrophobicContact CG2-CB 3.69Å; I30-R68 HydrophobicContact CG2-CG 4.2Å; I30-R68 VanDerWaalsContact O-CG 3.24Å; I30-R68 WeakPolarHBondContact O-CG 3.48Å; I30-R68 PolarHBondContact O-NE 3.3Å; R31-R68 PolarHBondContact O-NE 2.87Å; R31-R68 PolarHBondContact O-NH1 3.27Å; R31-R68 PolarHBondContact O-NH2 2.63Å; S32-R68 PolarHBondContact O-NH2 3.06Å; R33-R68 VanDerWaalsContact C-CZ 3.49Å; R33-R68 VanDerWaalsContact C-NE 3.31Å; R33-R68 PolarHBondContact O-NE 3.04Å; R33-R68 PolarHBondContact O-NH2 3.22Å; D34-R68 VanDerWaalsContact CG-CZ 3.43Å; D34-R68 IonicContact OD1-CZ 3.73Å; D34-R68 IonicContact OD1-NE 2.73Å; D34-R68 IonicContact OD1-NH1 2.77Å; D34-R68 PolarHBondContact OD1-NH1 2.88Å; D34-R68 IonicContact OD1-NH2 3.92Å; D34-R68 PolarHBondContact OD1-NH2 2.92Å; D34-R68 IonicContact OD2-CZ 2.85Å; D34-R68 IonicContact OD2-NH1 3.89Å; D34-R68 IonicContact OD2-NH2 2.67Å; D34-R68 PolarHBondContact OD2-NH2 2.77Å; F44-R68 HydrophobicContact CZ-CG 4.28Å; L48-R68 HydrophobicContact CD1-CB 4.37Å; L48-R68 HydrophobicContact CD1-CG 4.21Å; L48-R68 HydrophobicContact CD2-CB 4.39Å; L48-R68 HydrophobicContact CD2-CG 3.73Å; A64-R68 WeakPolarHBondContact O-CB 3.41Å; A64-R68 PolarHBondContact O-N 3.43Å; L65-R68 PolarHBondContact O-N 3.14Å; R66-R68 PolarHBondContact O-N 2.98Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 3.48Å; R68-C71 PolarHBondContact O-N 3.21Å; R68-G72 VanDerWaalsContact O-CA 3.3Å; R68-G72 WeakPolarHBondContact O-CA 3.38Å; R68-G72 PolarHBondContact O-N 3.5Å
69L91.5Very high87.9Confident0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-57-49.1174.3-179.263.5000110.2I41 F44 V45 L65 R66 I73 F90 A93 L94I41-L69 HydrophobicContact CG2-CD1 4.47Å; F44-L69 HydrophobicContact CD1-CD1 4.16Å; F44-L69 HydrophobicContact CE1-CD1 4.14Å; V45-L69 HydrophobicContact CG2-CD1 3.66Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 3.28Å; R66-L69 PolarHBondContact O-N 2.74Å; L69-I73 HydrophobicContact CD1-CD1 3.83Å; L69-I73 HydrophobicContact CD1-CG1 4.13Å; L69-I73 HydrophobicContact CG-CD1 4.05Å; L69-I73 WeakPolarHBondContact O-CB 3.48Å; L69-I73 WeakPolarHBondContact O-CD1 3.38Å; L69-I73 WeakPolarHBondContact O-CG1 3.31Å; L69-I73 PolarHBondContact O-N 3.2Å; L69-F90 HydrophobicContact CB-CE2 4.11Å; L69-F90 HydrophobicContact CD2-CD2 4.18Å; L69-F90 HydrophobicContact CD2-CE2 3.79Å; L69-F90 HydrophobicContact CG-CE2 4.49Å; L69-A93 HydrophobicContact CD2-CB 3.87Å; L69-L94 HydrophobicContact CD2-CB 4.24Å
70V90Very high88.8Confident13 Ų1349.5 Ų49.58%0.07926%0.259CS..Hα-helixtrans-67.9-46.5-179.3178.80000111.8R66 R68 Q79 L82 L83R66-V70 WeakPolarHBondContact O-CG2 3.32Å; R66-V70 PolarHBondContact O-N 3.45Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 3.48Å; V70-Q79 WeakPolarHBondContact O-CG 3.01Å; V70-Q79 PolarHBondContact O-NE2 3.42Å; V70-L82 HydrophobicContact CG1-CB 4.21Å; V70-L82 HydrophobicContact CG2-CB 4.19Å; V70-L82 HydrophobicContact CG2-CD1 4.41Å; V70-L83 HydrophobicContact CG1-CD2 3.53Å; V70-L83 HydrophobicContact CG1-CG 3.67Å
71C88.5Confident89.3Confident74 Ų7454.1 Ų54.150%0.527%0.269SS..Hα-helixtrans-79.2-25.2-176-67.70000114.4N67 R68 Q79N67-C71 VanDerWaalsContact O-CB 3.31Å; N67-C71 WeakPolarHBondContact O-CB 3.47Å; N67-C71 PolarHBondContact O-N 3.47Å; N67-C71 PolarHBondContact O-SG 2.95Å; R68-C71 PolarHBondContact O-N 3.21Å; C71-Q79 PolarHBondContact O-NE2 3.02Å; C71-Q79 VanDerWaalsContact O-NE2 3.16Å
72G88.6Confident89.6Confident3 Ų353.5 Ų53.53%0.03127%0.266CS..Hα-helixtrans-104.41.1-17400000115.2D34 Q35 R68D34-G72 VanDerWaalsContact OD1-CA 3.24Å; D34-G72 WeakPolarHBondContact OD1-CA 3.45Å; Q35-G72 WeakPolarHBondContact CB-O 3.17Å; Q35-G72 PolarHBondContact N-O 2.9Å; R68-G72 VanDerWaalsContact O-CA 3.3Å; R68-G72 WeakPolarHBondContact O-CA 3.38Å; R68-G72 PolarHBondContact O-N 3.5Å
73I91.2Very high89.7Confident9 Ų954.9 Ų54.95%0.04627%0.272CS..  trans-66.6136.6169.3-85.6164.6000109.6L69 D75 L78 L82 A97L69-I73 HydrophobicContact CD1-CD1 3.83Å; L69-I73 HydrophobicContact CD1-CG1 4.13Å; L69-I73 HydrophobicContact CG-CD1 4.05Å; L69-I73 WeakPolarHBondContact O-CB 3.48Å; L69-I73 WeakPolarHBondContact O-CD1 3.38Å; L69-I73 WeakPolarHBondContact O-CG1 3.31Å; L69-I73 PolarHBondContact O-N 3.2Å; I73-D75 HydrophobicContact CG2-CB 4Å; I73-D75 VanDerWaalsContact CG2-N 3.32Å; I73-L78 HydrophobicContact CD1-CD2 4.02Å; I73-L78 HydrophobicContact CD1-CG 4.37Å; I73-L78 HydrophobicContact CG2-CB 4.45Å; I73-L78 HydrophobicContact CG2-CD2 4.14Å; I73-L78 HydrophobicContact CG2-CG 4.38Å; I73-L82 HydrophobicContact CD1-CD1 3.79Å; I73-A97 HydrophobicContact CD1-CB 4.14Å
74A90.9Very high89.9Confident64 Ų6453.2 Ų53.253%0.52928%0.28SS..SBendtrans-77.5-22.8179.700000113.7Q35 E76Q35-A74 HydrophobicContact CB-CB 4.31Å; Q35-A74 HydrophobicContact CG-CB 4.27Å; A74-E76 PolarHBondContact O-N 3.47Å
75D90.4Very high89.8Confident47 Ų4757.4 Ų57.425%0.25130%0.299SS..  trans-82.5102.9178-173.1-31.2000111.1I73 V77 L78 Q79I73-D75 HydrophobicContact CG2-CB 4Å; I73-D75 VanDerWaalsContact CG2-N 3.32Å; D75-V77 VanDerWaalsContact C-N 3.26Å; D75-V77 PolarHBondContact O-N 3.3Å; D75-V77 WeakPolarHBondContact OD1-CA 3.26Å; D75-V77 WeakPolarHBondContact OD1-CB 3.28Å; D75-V77 PolarHBondContact OD1-N 2.92Å; D75-L78 HydrophobicContact CB-CB 3.96Å; D75-L78 PolarHBondContact O-N 2.93Å; D75-L78 PolarHBondContact OD1-N 3.39Å; D75-L78 VanDerWaalsContact OD1-N 3.08Å; D75-Q79 WeakPolarHBondContact O-CB 3.18Å; D75-Q79 PolarHBondContact O-N 3.09Å
76E90.5Very high89.4Confident142 Ų14265.5 Ų65.566%0.66434%0.337SS*.Hα-helixtrans-61.3-28.5179.9-63-175.6171.700114.1A74 R80A74-E76 PolarHBondContact O-N 3.47Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 VanDerWaalsContact O-CG 3.32Å; E76-R80 WeakPolarHBondContact O-CG 3.28Å; E76-R80 PolarHBondContact O-N 2.91Å; E76-R80 PolarHBondContact O-NE 2.85Å
77V91.2Very high88.7Confident95 Ų9563.8 Ų63.858%0.57633%0.333SS*.Hα-helixtrans-72.5-45.2178.5-179.80000109.3D75 R80 R81D75-V77 VanDerWaalsContact C-N 3.26Å; D75-V77 PolarHBondContact O-N 3.3Å; D75-V77 WeakPolarHBondContact OD1-CA 3.26Å; D75-V77 WeakPolarHBondContact OD1-CB 3.28Å; D75-V77 PolarHBondContact OD1-N 2.92Å; V77-R80 PolarHBondContact O-N 3.22Å; V77-R81 WeakPolarHBondContact O-CB 3.48Å; V77-R81 PolarHBondContact O-N 2.93Å; V77-R81 VanDerWaalsContact O-N 3.11Å
78L90.6Very high88.1Confident2 Ų263.2 Ų63.21%0.0134%0.342CS..Hα-helixtrans-64.2-43.8174.9175.856.3000111.4I41 I73 D75 R80 R81 L82 A97 T100I41-L78 HydrophobicContact CD1-CD2 3.58Å; I73-L78 HydrophobicContact CD1-CD2 4.02Å; I73-L78 HydrophobicContact CD1-CG 4.37Å; I73-L78 HydrophobicContact CG2-CB 4.45Å; I73-L78 HydrophobicContact CG2-CD2 4.14Å; I73-L78 HydrophobicContact CG2-CG 4.38Å; D75-L78 HydrophobicContact CB-CB 3.96Å; D75-L78 PolarHBondContact O-N 2.93Å; D75-L78 PolarHBondContact OD1-N 3.39Å; D75-L78 VanDerWaalsContact OD1-N 3.08Å; L78-R80 PolarHBondContact O-N 3.17Å; L78-R81 PolarHBondContact O-N 3.15Å; L78-L82 HydrophobicContact CD1-CD1 3.92Å; L78-L82 HydrophobicContact CD1-CD2 4.48Å; L78-L82 HydrophobicContact CD1-CG 3.89Å; L78-L82 HydrophobicContact CG-CD1 3.95Å; L78-L82 HydrophobicContact CG-CG 4.38Å; L78-L82 WeakPolarHBondContact O-CG 3.34Å; L78-L82 PolarHBondContact O-N 2.84Å; L78-A97 HydrophobicContact CD2-CB 3.91Å; L78-T100 HydrophobicContact CB-CG2 4.37Å; L78-T100 HydrophobicContact CD1-CG2 4.04Å
79Q91.1Very high87.9Confident50 Ų5067.9 Ų67.923%0.23437%0.367CS..Hα-helixtrans-56.8-49.9176.3174.4174.87600111.6V70 C71 D75 R81 L82 L83V70-Q79 WeakPolarHBondContact O-CG 3.01Å; V70-Q79 PolarHBondContact O-NE2 3.42Å; C71-Q79 PolarHBondContact O-NE2 3.02Å; C71-Q79 VanDerWaalsContact O-NE2 3.16Å; D75-Q79 WeakPolarHBondContact O-CB 3.18Å; D75-Q79 PolarHBondContact O-N 3.09Å; Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 2.81Å; Q79-L82 PolarHBondContact O-N 2.82Å; Q79-L83 HydrophobicContact CG-CD1 3.9Å; Q79-L83 HydrophobicContact CG-CG 4.47Å; Q79-L83 WeakPolarHBondContact O-CB 3.37Å; Q79-L83 VanDerWaalsContact O-CG 3.32Å; Q79-L83 WeakPolarHBondContact O-CG 3.42Å; Q79-L83 PolarHBondContact O-N 3.48Å
80R91.5Very high87.7Confident158 Ų15868 Ų6860%0.59637%0.367SS*.Hα-helixtrans-58.8-41.2177.7-78.7-176.5-71168.3-7.8112.4E76 V77 L78 L83 A84E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 VanDerWaalsContact O-CG 3.32Å; E76-R80 WeakPolarHBondContact O-CG 3.28Å; E76-R80 PolarHBondContact O-N 2.91Å; E76-R80 PolarHBondContact O-NE 2.85Å; V77-R80 PolarHBondContact O-N 3.22Å; L78-R80 PolarHBondContact O-N 3.17Å; R80-L83 PolarHBondContact O-N 2.95Å; R80-A84 WeakPolarHBondContact O-CB 3.07Å; R80-A84 PolarHBondContact O-N 3.46Å
81R90.3Very high87.7Confident127 Ų12770.8 Ų70.848%0.47938%0.381SS..Hα-helixtrans-64.7-47.6178.3173.5168.9168.1-176.4-3.1112V77 L78 Q79 L83 A84 Q85 E96V77-R81 WeakPolarHBondContact O-CB 3.48Å; V77-R81 PolarHBondContact O-N 2.93Å; V77-R81 VanDerWaalsContact O-N 3.11Å; L78-R81 PolarHBondContact O-N 3.15Å; Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 2.81Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 3.43Å; R81-A84 PolarHBondContact O-N 2.82Å; R81-Q85 PolarHBondContact O-N 2.73Å; R81-Q85 PolarHBondContact O-OE1 3.36Å; R81-Q85 VanDerWaalsContact O-OE1 3.11Å; R81-E96 IonicContact CZ-OE1 3.14Å; R81-E96 IonicContact NE-OE1 2.82Å; R81-E96 PolarHBondContact NE-OE1 3.05Å; R81-E96 IonicContact NH2-OE1 2.73Å; R81-E96 PolarHBondContact NH2-OE1 3.17Å
82L90.1Very high87.7Confident2 Ų270.7 Ų70.71%0.0138%0.378CS..Hα-helixtrans-62.2-38.9176.9-70.6172.3000112.4V70 I73 L78 Q79 Q86 V87 A93 E96V70-L82 HydrophobicContact CG1-CB 4.21Å; V70-L82 HydrophobicContact CG2-CB 4.19Å; V70-L82 HydrophobicContact CG2-CD1 4.41Å; I73-L82 HydrophobicContact CD1-CD1 3.79Å; L78-L82 HydrophobicContact CD1-CD1 3.92Å; L78-L82 HydrophobicContact CD1-CD2 4.48Å; L78-L82 HydrophobicContact CD1-CG 3.89Å; L78-L82 HydrophobicContact CG-CD1 3.95Å; L78-L82 HydrophobicContact CG-CG 4.38Å; L78-L82 WeakPolarHBondContact O-CG 3.34Å; L78-L82 PolarHBondContact O-N 2.84Å; Q79-L82 PolarHBondContact O-N 2.82Å; L82-Q86 PolarHBondContact O-N 3.23Å; L82-V87 HydrophobicContact CD2-CG2 4.08Å; L82-A93 HydrophobicContact CD2-CB 4.34Å; L82-E96 HydrophobicContact CD2-CB 4.03Å; L82-E96 HydrophobicContact CD2-CG 3.85Å
83L88.5Confident87.7Confident100 Ų10070.5 Ų70.552%0.52438%0.377SS..Hα-helixtrans-64.4-42.5174.2-73.1169.9000111.7V70 Q79 R80 R81 Q85 Q86V70-L83 HydrophobicContact CG1-CD2 3.53Å; V70-L83 HydrophobicContact CG1-CG 3.67Å; Q79-L83 HydrophobicContact CG-CD1 3.9Å; Q79-L83 HydrophobicContact CG-CG 4.47Å; Q79-L83 WeakPolarHBondContact O-CB 3.37Å; Q79-L83 VanDerWaalsContact O-CG 3.32Å; Q79-L83 WeakPolarHBondContact O-CG 3.42Å; Q79-L83 PolarHBondContact O-N 3.48Å; R80-L83 PolarHBondContact O-N 2.95Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 3.43Å; L83-Q85 VanDerWaalsContact C-N 3.35Å; L83-Q85 PolarHBondContact O-N 3.32Å; L83-Q86 PolarHBondContact O-N 2.96Å
84A89.3Confident87.8Confident82 Ų8270.1 Ų70.168%0.67838%0.375SS*.Hα-helixtrans-65.5-35.9178.900000112.9R80 R81 Q86R80-A84 WeakPolarHBondContact O-CB 3.07Å; R80-A84 PolarHBondContact O-N 3.46Å; R81-A84 PolarHBondContact O-N 2.82Å; A84-Q86 VanDerWaalsContact C-N 3.25Å; A84-Q86 PolarHBondContact O-N 3.11Å
85Q84Confident87.7Confident91 Ų9172.2 Ų72.243%0.42537%0.372SS..THydrogen-bonded Turntrans-77-7.4179.6-74.9166.5-74.300114.2R81 L83 V87 E96R81-Q85 PolarHBondContact O-N 2.73Å; R81-Q85 PolarHBondContact O-OE1 3.36Å; R81-Q85 VanDerWaalsContact O-OE1 3.11Å; L83-Q85 VanDerWaalsContact C-N 3.35Å; L83-Q85 PolarHBondContact O-N 3.32Å; Q85-V87 HydrophobicContact CB-CG2 3.77Å; Q85-V87 PolarHBondContact O-N 3.02Å; Q85-E96 VanDerWaalsContact CD-OE1 3.23Å; Q85-E96 VanDerWaalsContact NE2-CD 3.26Å; Q85-E96 PolarHBondContact NE2-OE1 3.39Å; Q85-E96 PolarHBondContact NE2-OE2 3.12Å; Q85-E96 PolarHBondContact OE1-OE1 3.03Å; Q85-E96 PolarHBondContact OE1-OE2 3.15Å
86Q79.8Confident87.7Confident172 Ų17271 Ų7180%0.80437%0.365SS*.THydrogen-bonded Turntrans47.846.5-177.4-62.7-177.155.400112.4L82 L83 A84 G88L82-Q86 PolarHBondContact O-N 3.23Å; L83-Q86 PolarHBondContact O-N 2.96Å; A84-Q86 VanDerWaalsContact C-N 3.25Å; A84-Q86 PolarHBondContact O-N 3.11Å; Q86-G88 PolarHBondContact O-N 3.19Å
87V75.5Confident87.8Confident18 Ų1864.2 Ų64.211%0.10933%0.333CS..  trans-58.7117.1-171-174.30000110.3R66 L82 Q85 V92 A93R66-V87 WeakPolarHBondContact CD-O 3.38Å; L82-V87 HydrophobicContact CD2-CG2 4.08Å; Q85-V87 HydrophobicContact CB-CG2 3.77Å; Q85-V87 PolarHBondContact O-N 3.02Å; V87-V92 HydrophobicContact CG1-CB 3.53Å; V87-V92 HydrophobicContact CG1-CG1 3.51Å; V87-A93 HydrophobicContact CB-CB 4.27Å; V87-A93 HydrophobicContact CG1-CB 3.82Å
88G75.2Confident87.8Confident53 Ų5359.7 Ų59.755%0.54631%0.306SS..  trans-75.7-31.5-17300000114.3R66 Q86R66-G88 WeakPolarHBondContact CD-O 3.5Å; R66-G88 PolarHBondContact NH1-O 3.29Å; Q86-G88 PolarHBondContact O-N 3.19Å
89M86.8Confident87.8Confident123 Ų12362 Ų6261%0.60632%0.318SS*.SBendtrans-119.9144.7-171.1-58.5-179.277.600111.7D91 V92 A93M89-D91 VanDerWaalsContact C-N 3.31Å; M89-D91 PolarHBondContact O-N 3.33Å; M89-V92 HydrophobicContact CB-CG2 4.12Å; M89-V92 PolarHBondContact O-N 2.85Å; M89-A93 PolarHBondContact O-N 3.1Å
90F88.7Confident87.8Confident4 Ų461 Ų612%0.01832%0.315CS..Hα-helixtrans-55.5-45.5177.5177.7-108.4000112V45 D62 L65 R66 L69 V92 A93 L94V45-F90 HydrophobicContact CG1-CE1 4.34Å; V45-F90 HydrophobicContact CG1-CZ 3.79Å; V45-F90 HydrophobicContact CG2-CZ 4.42Å; D62-F90 HydrophobicContact CB-CB 4.49Å; L65-F90 HydrophobicContact CB-CD2 3.63Å; L65-F90 HydrophobicContact CB-CE2 3.68Å; L65-F90 HydrophobicContact CB-CG 4.18Å; L65-F90 HydrophobicContact CB-CZ 4.28Å; R66-F90 HydrophobicContact CB-CB 4.17Å; R66-F90 HydrophobicContact CB-CD2 4.23Å; L69-F90 HydrophobicContact CB-CE2 4.11Å; L69-F90 HydrophobicContact CD2-CD2 4.18Å; L69-F90 HydrophobicContact CD2-CE2 3.79Å; L69-F90 HydrophobicContact CG-CE2 4.49Å; F90-V92 VanDerWaalsContact C-N 3.31Å; F90-V92 PolarHBondContact O-N 2.77Å; F90-A93 PolarHBondContact O-N 3.22Å; F90-L94 HydrophobicContact CE1-CD2 4.09Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 PolarHBondContact O-N 3.39Å
91D88.6Confident87.7Confident70 Ų7055.2 Ų55.237%0.37430%0.295SS..Hα-helixtrans-63.3-35.5-177.6-61.9-48000113.5M89 K95M89-D91 VanDerWaalsContact C-N 3.31Å; M89-D91 PolarHBondContact O-N 3.33Å; D91-K95 WeakPolarHBondContact O-CB 3.38Å; D91-K95 VanDerWaalsContact O-CG 3.23Å; D91-K95 WeakPolarHBondContact O-CG 3.38Å; D91-K95 PolarHBondContact O-N 3.24Å
92V88.3Confident87.7Confident72 Ų7250 Ų5044%0.43628%0.277SS..Hα-helixtrans-68.9-43.3178179.50000109.7V87 M89 F90 L94 K95 E96V87-V92 HydrophobicContact CG1-CB 3.53Å; V87-V92 HydrophobicContact CG1-CG1 3.51Å; M89-V92 HydrophobicContact CB-CG2 4.12Å; M89-V92 PolarHBondContact O-N 2.85Å; F90-V92 VanDerWaalsContact C-N 3.31Å; F90-V92 PolarHBondContact O-N 2.77Å; V92-L94 VanDerWaalsContact C-N 3.34Å; V92-L94 PolarHBondContact O-N 3.43Å; V92-K95 PolarHBondContact O-N 3.01Å; V92-E96 WeakPolarHBondContact O-CB 3.4Å; V92-E96 PolarHBondContact O-N 3.36Å
93A90.5Very high87.6Confident0 Ų051.9 Ų51.90%029%0.293CS..Hα-helixtrans-64.9-41.2177.900000111L69 L82 V87 M89 F90 E96 A97L69-A93 HydrophobicContact CD2-CB 3.87Å; L82-A93 HydrophobicContact CD2-CB 4.34Å; V87-A93 HydrophobicContact CB-CB 4.27Å; V87-A93 HydrophobicContact CG1-CB 3.82Å; M89-A93 PolarHBondContact O-N 3.1Å; F90-A93 PolarHBondContact O-N 3.22Å; A93-E96 PolarHBondContact O-N 2.9Å; A93-A97 VanDerWaalsContact O-CB 3.22Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.24Å
94L92Very high87.6Confident1 Ų154.2 Ų54.21%0.00530%0.295CS..Hα-helixtrans-62.1-49.2176.4178.558.6000111.9V45 L69 F90 V92 E96 A97 L98 L154V45-L94 HydrophobicContact CB-CD1 4.15Å; V45-L94 HydrophobicContact CG1-CD1 3.99Å; V45-L94 HydrophobicContact CG1-CD2 4.13Å; V45-L94 HydrophobicContact CG2-CD1 3.52Å; L69-L94 HydrophobicContact CD2-CB 4.24Å; F90-L94 HydrophobicContact CE1-CD2 4.09Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 PolarHBondContact O-N 3.39Å; V92-L94 VanDerWaalsContact C-N 3.34Å; V92-L94 PolarHBondContact O-N 3.43Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 3.35Å; L94-L98 HydrophobicContact CD1-CD1 3.82Å; L94-L98 HydrophobicContact CD1-CG 4.03Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 WeakPolarHBondContact O-CB 3.33Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.45Å; L94-L154 HydrophobicContact CD1-CD1 4.3Å; L94-L154 HydrophobicContact CD2-CD1 4.34Å
95K89.8Confident87.5Confident108 Ų10854.6 Ų54.647%0.4728%0.282SS..Hα-helixtrans-57.8-46.2178.1-77.5170.7-176.9175.70111.1D91 V92 L98 L99 V151D91-K95 WeakPolarHBondContact O-CB 3.38Å; D91-K95 VanDerWaalsContact O-CG 3.23Å; D91-K95 WeakPolarHBondContact O-CG 3.38Å; D91-K95 PolarHBondContact O-N 3.24Å; V92-K95 PolarHBondContact O-N 3.01Å; K95-L98 PolarHBondContact O-N 3.19Å; K95-L99 WeakPolarHBondContact O-CB 3.05Å; K95-L99 WeakPolarHBondContact O-CG 3.08Å; K95-L99 PolarHBondContact O-N 3.23Å; K95-V151 HydrophobicContact CG-CG2 4.13Å
96E90Very high87.5Confident20 Ų2052.5 Ų52.59%0.09327%0.273CS..Hα-helixtrans-66-40.8179.3177.2149.5-140.400113.2R81 L82 Q85 V92 A93 L94 L99 T100R81-E96 IonicContact CZ-OE1 3.14Å; R81-E96 IonicContact NE-OE1 2.82Å; R81-E96 PolarHBondContact NE-OE1 3.05Å; R81-E96 IonicContact NH2-OE1 2.73Å; R81-E96 PolarHBondContact NH2-OE1 3.17Å; L82-E96 HydrophobicContact CD2-CB 4.03Å; L82-E96 HydrophobicContact CD2-CG 3.85Å; Q85-E96 VanDerWaalsContact CD-OE1 3.23Å; Q85-E96 VanDerWaalsContact NE2-CD 3.26Å; Q85-E96 PolarHBondContact NE2-OE1 3.39Å; Q85-E96 PolarHBondContact NE2-OE2 3.12Å; Q85-E96 PolarHBondContact OE1-OE1 3.03Å; Q85-E96 PolarHBondContact OE1-OE2 3.15Å; V92-E96 WeakPolarHBondContact O-CB 3.4Å; V92-E96 PolarHBondContact O-N 3.36Å; A93-E96 PolarHBondContact O-N 2.9Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.34Å; E96-L99 PolarHBondContact O-N 2.89Å; E96-T100 WeakPolarHBondContact O-CB 3.49Å; E96-T100 PolarHBondContact O-N 3.22Å; E96-T100 PolarHBondContact O-OG1 2.98Å
97A91.9Very high87.9Confident0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-61.1-48.9176.600000111.3I41 I73 L78 A93 L94 L99 T100 E101I41-A97 HydrophobicContact CD1-CB 3.95Å; I41-A97 WeakPolarHBondContact CD1-O 3.36Å; I41-A97 HydrophobicContact CG2-CB 3.86Å; I73-A97 HydrophobicContact CD1-CB 4.14Å; L78-A97 HydrophobicContact CD2-CB 3.91Å; A93-A97 VanDerWaalsContact O-CB 3.22Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.24Å; L94-A97 PolarHBondContact O-N 3.35Å; A97-L99 PolarHBondContact O-N 2.99Å; A97-T100 PolarHBondContact O-N 3.11Å; A97-E101 PolarHBondContact O-N 2.87Å
98L92.3Very high88.4Confident1 Ų149.1 Ų49.11%0.00527%0.266CS..Hα-helixtrans-64.5-38.1177.2-69.7172.4000112.8I41 A42 L94 K95 T100 T102 V147 V150 V151 L154I41-L98 HydrophobicContact CB-CD2 4.27Å; I41-L98 HydrophobicContact CG2-CD2 4.17Å; A42-L98 HydrophobicContact CB-CD2 4.26Å; L94-L98 HydrophobicContact CD1-CD1 3.82Å; L94-L98 HydrophobicContact CD1-CG 4.03Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 WeakPolarHBondContact O-CB 3.33Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.45Å; K95-L98 PolarHBondContact O-N 3.19Å; L98-T100 VanDerWaalsContact C-N 3.32Å; L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 3.29Å; L98-T102 PolarHBondContact O-N 3.37Å; L98-T102 PolarHBondContact O-OG1 3.16Å; L98-V147 HydrophobicContact CB-CG1 3.71Å; L98-V147 HydrophobicContact CB-CG2 4.11Å; L98-V147 HydrophobicContact CD1-CG1 4.35Å; L98-V150 HydrophobicContact CD1-CB 4.32Å; L98-V150 HydrophobicContact CD1-CG1 3.86Å; L98-V150 HydrophobicContact CD2-CG1 3.81Å; L98-V150 HydrophobicContact CG-CG1 4.48Å; L98-V151 HydrophobicContact CD1-CG2 3.5Å; L98-V151 VanDerWaalsContact CD1-CG2 3.5Å; L98-L154 HydrophobicContact CD1-CD1 4.32Å
99L90Very high88.8Confident51 Ų5153.2 Ų53.227%0.26727%0.269SS..Hα-helixtrans-61.9-42.7173.5-75.9169.3000111.6K95 E96 A97 A103 L143 L144 V147K95-L99 WeakPolarHBondContact O-CB 3.05Å; K95-L99 WeakPolarHBondContact O-CG 3.08Å; K95-L99 PolarHBondContact O-N 3.23Å; E96-L99 PolarHBondContact O-N 2.89Å; A97-L99 PolarHBondContact O-N 2.99Å; L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.12Å; L99-L143 HydrophobicContact CD2-CD2 4.37Å; L99-L143 HydrophobicContact CD2-CG 4Å; L99-L144 HydrophobicContact CD1-CD2 4.31Å; L99-L144 HydrophobicContact CD2-CD2 3.63Å; L99-V147 HydrophobicContact CD2-CB 4.02Å; L99-V147 HydrophobicContact CD2-CG1 4.26Å; L99-V147 HydrophobicContact CD2-CG2 3.69Å; L99-V147 HydrophobicContact CG-CB 4.43Å; L99-V147 HydrophobicContact CG-CG1 4.15Å; L99-V147 HydrophobicContact CG-CG2 4.11Å
100T90Very high88.5Confident28 Ų2850 Ų5017%0.17225%0.253CS..Hα-helixtrans-68.7-45.1-179.9-57.30000111L78 E96 A97 L98 A103 R104L78-T100 HydrophobicContact CB-CG2 4.37Å; L78-T100 HydrophobicContact CD1-CG2 4.04Å; E96-T100 WeakPolarHBondContact O-CB 3.49Å; E96-T100 PolarHBondContact O-N 3.22Å; E96-T100 PolarHBondContact O-OG1 2.98Å; A97-T100 PolarHBondContact O-N 3.11Å; L98-T100 VanDerWaalsContact C-N 3.32Å; T100-A103 PolarHBondContact O-N 2.9Å; T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.38Å; T100-R104 PolarHBondContact O-N 2.93Å
101E91.1Very high88.1Confident37 Ų3759.3 Ų59.317%0.17329%0.288CS..Hα-helixtrans-58.8-49.6175.6-177.2-176.4-113.300111.3I41 A97 A103 R104 Q105I41-E101 HydrophobicContact CD1-CB 3.84Å; I41-E101 HydrophobicContact CD1-CG 4.47Å; I41-E101 HydrophobicContact CG1-CB 4.49Å; I41-E101 WeakPolarHBondContact CG1-OE1 3.46Å; I41-E101 PolarHBondContact N-OE1 2.85Å; A97-E101 PolarHBondContact O-N 2.87Å; E101-A103 PolarHBondContact O-N 3.46Å; E101-R104 WeakPolarHBondContact O-CB 3.24Å; E101-R104 PolarHBondContact O-N 3.4Å; E101-Q105 WeakPolarHBondContact O-CG 3.36Å; E101-Q105 PolarHBondContact O-N 2.77Å
102T88.5Confident87.7Confident17 Ų1761.6 Ų61.610%0.10431%0.305CS..Hα-helixtrans-68.1-38.9-178.1-51.40000111.1L98 R104 Q105 Q106 L143 N146L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 3.29Å; L98-T102 PolarHBondContact O-N 3.37Å; L98-T102 PolarHBondContact O-OG1 3.16Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 2.99Å; T102-Q105 PolarHBondContact O-N 3.22Å; T102-Q106 WeakPolarHBondContact O-CG 3.43Å; T102-Q106 PolarHBondContact O-N 3.41Å; T102-L143 HydrophobicContact CG2-CD1 3.23Å; T102-N146 HydrophobicContact CG2-CB 4.5Å
103A89Confident86.9Confident41 Ų4162.4 Ų62.434%0.33932%0.319SS..Hα-helixtrans-62.7-39.7173.700000111.6L99 T100 E101 Q106 A107 L143L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.12Å; T100-A103 PolarHBondContact O-N 2.9Å; E101-A103 PolarHBondContact O-N 3.46Å; A103-Q106 PolarHBondContact O-N 3.45Å; A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 3.42Å; A103-L143 HydrophobicContact CB-CD1 4.45Å; A103-L143 HydrophobicContact CB-CD2 3.98Å
104R88.1Confident85.3Confident150 Ų15064.5 Ų64.557%0.56634%0.341SS*.Hα-helixtrans-63-46.4175.6-166-178.299.1104.1-0.5111.1T100 E101 T102 Q106 A107 L108T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.38Å; T100-R104 PolarHBondContact O-N 2.93Å; E101-R104 WeakPolarHBondContact O-CB 3.24Å; E101-R104 PolarHBondContact O-N 3.4Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 2.99Å; R104-Q106 PolarHBondContact O-N 3.05Å; R104-A107 PolarHBondContact O-N 3.5Å; R104-L108 HydrophobicContact CG-CD1 4.47Å; R104-L108 VanDerWaalsContact O-CG 3.3Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.4Å
105Q87.3Confident83.4Confident89 Ų8968 Ų6842%0.41638%0.377SS..Hα-helixtrans-61.1-43.8176.2-70.3177.83.600111.9E101 T102 L108 K109E101-Q105 WeakPolarHBondContact O-CG 3.36Å; E101-Q105 PolarHBondContact O-N 2.77Å; T102-Q105 PolarHBondContact O-N 3.22Å; Q105-L108 PolarHBondContact O-N 3.33Å; Q105-K109 WeakPolarHBondContact O-CG 3.34Å; Q105-K109 PolarHBondContact O-N 2.88Å
106Q85.3Confident81.4Confident47 Ų4773.9 Ų73.922%0.2240%0.397CS..Hα-helixtrans-63.3-43.6175.9-74.3-177.5-21.600111.8T102 A103 R104 L108 K109 I110T102-Q106 WeakPolarHBondContact O-CG 3.43Å; T102-Q106 PolarHBondContact O-N 3.41Å; A103-Q106 PolarHBondContact O-N 3.45Å; R104-Q106 PolarHBondContact O-N 3.05Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 2.95Å; Q106-K109 PolarHBondContact O-N 3.31Å; Q106-I110 WeakPolarHBondContact O-CD1 3.48Å; Q106-I110 VanDerWaalsContact O-CG1 3.24Å; Q106-I110 WeakPolarHBondContact O-CG1 3.42Å; Q106-I110 PolarHBondContact O-N 2.98Å
107A86.2Confident79.8Confident49 Ų4982.4 Ų82.441%0.40543%0.428SS..Hα-helixtrans-61.3-40.5176.400000111.9A103 R104 I110 R111A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 3.42Å; R104-A107 PolarHBondContact O-N 3.5Å; A107-I110 PolarHBondContact O-N 2.94Å; A107-R111 VanDerWaalsContact O-CG 3.31Å; A107-R111 WeakPolarHBondContact O-CG 3.37Å; A107-R111 PolarHBondContact O-N 2.74Å; A107-R111 VanDerWaalsContact O-N 3.11Å
108L86.1Confident78Confident71 Ų7186.9 Ų86.937%0.37246%0.455SS..Hα-helixtrans-62.7-48.5174.2-71.5168.2000111.5R104 Q105 Q106 I110 R111 T112R104-L108 HydrophobicContact CG-CD1 4.47Å; R104-L108 VanDerWaalsContact O-CG 3.3Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.4Å; Q105-L108 PolarHBondContact O-N 3.33Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 2.95Å; L108-I110 VanDerWaalsContact C-N 3.26Å; L108-I110 PolarHBondContact O-N 3.24Å; L108-R111 WeakPolarHBondContact O-CA 3.27Å; L108-R111 WeakPolarHBondContact O-CB 2.98Å; L108-R111 PolarHBondContact O-N 3.49Å; L108-T112 WeakPolarHBondContact O-CG2 3.49Å; L108-T112 PolarHBondContact O-N 2.69Å; L108-T112 PolarHBondContact O-OG1 3.48Å
109K83.5Confident75.9Confident139 Ų13992.3 Ų92.360%0.60449%0.492SS*.Hα-helixtrans-57-39.7176.1-72.6178-177.8-179.60112.3Q105 Q106 R111 T112 A113Q105-K109 WeakPolarHBondContact O-CG 3.34Å; Q105-K109 PolarHBondContact O-N 2.88Å; Q106-K109 PolarHBondContact O-N 3.31Å; K109-R111 VanDerWaalsContact C-N 3.31Å; K109-R111 PolarHBondContact O-N 3Å; K109-T112 WeakPolarHBondContact CA-OG1 3.39Å; K109-T112 PolarHBondContact O-N 3.22Å; K109-T112 PolarHBondContact O-OG1 3.18Å; K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 2.99Å
110I81.1Confident73.9Confident55 Ų5599 Ų9928%0.28252%0.519SS..Hα-helixtrans-65-36.6176.5-68163.9000111.4Q106 A107 L108 R117 K139Q106-I110 WeakPolarHBondContact O-CD1 3.48Å; Q106-I110 VanDerWaalsContact O-CG1 3.24Å; Q106-I110 WeakPolarHBondContact O-CG1 3.42Å; Q106-I110 PolarHBondContact O-N 2.98Å; A107-I110 PolarHBondContact O-N 2.94Å; L108-I110 VanDerWaalsContact C-N 3.26Å; L108-I110 PolarHBondContact O-N 3.24Å; I110-R117 VanDerWaalsContact CG2-NH2 3.3Å; I110-K139 HydrophobicContact CD1-CD 4.46Å
111R80.1Confident71.5Confident199 Ų199104 Ų10475%0.75155%0.549SS*.Hα-helixtrans-72.5-33.7178-69.1172.168.8-174.41.7112.4A107 L108 K109A107-R111 VanDerWaalsContact O-CG 3.31Å; A107-R111 WeakPolarHBondContact O-CG 3.37Å; A107-R111 PolarHBondContact O-N 2.74Å; A107-R111 VanDerWaalsContact O-N 3.11Å; L108-R111 WeakPolarHBondContact O-CA 3.27Å; L108-R111 WeakPolarHBondContact O-CB 2.98Å; L108-R111 PolarHBondContact O-N 3.49Å; K109-R111 VanDerWaalsContact C-N 3.31Å; K109-R111 PolarHBondContact O-N 3Å
112T81.1Confident69.2Low118 Ų118105.4 Ų105.472%0.72458%0.575SS**Hα-helixtrans-86.8-31.3-178.158.10000113.4L108 K109L108-T112 WeakPolarHBondContact O-CG2 3.49Å; L108-T112 PolarHBondContact O-N 2.69Å; L108-T112 PolarHBondContact O-OG1 3.48Å; K109-T112 WeakPolarHBondContact CA-OG1 3.39Å; K109-T112 PolarHBondContact O-N 3.22Å; K109-T112 PolarHBondContact O-OG1 3.18Å
113A70.5Confident66.8Low89 Ų89114 Ų11474%0.73661%0.613SS**Hα-helixtrans-88.8-9.4-17200000115.5K109K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 2.99Å
114G58.1Low64.3Low45 Ų45115.7 Ų115.746%0.46464%0.635SS.*SBendtrans-166.8113.3-175.500000113.7
115G52.5Low62.1Low74 Ų74113.8 Ų113.876%0.76365%0.645SS**  trans-50.8145.4-176.500000115.2R117G115-R117 PolarHBondContact O-N 3.38Å
116R47Very low59.9Low232 Ų232117.9 Ų117.988%0.87566%0.664SS**  trans42.471153-146.1178.1-156.5158.53.9115.3T118R116-T118 HydrophobicContact CG-CG2 4.39Å; R116-T118 PolarHBondContact O-N 3.05Å; R116-T118 VanDerWaalsContact O-N 3.12Å
117R55.7Low58Low199 Ų199124.2 Ų124.275%0.75169%0.693SS**  trans-75.396.3155.7-70.8-167-66.7147.36.2108.4I110 G115 C119I110-R117 VanDerWaalsContact CG2-NH2 3.3Å; G115-R117 PolarHBondContact O-N 3.38Å; R117-C119 PolarHBondContact O-N 3.32Å
118T53.6Low56.2Low94 Ų94128.7 Ų128.758%0.57771%0.71SS**  trans-63.2124.8159.851.30000107R116 K120R116-T118 HydrophobicContact CG-CG2 4.39Å; R116-T118 PolarHBondContact O-N 3.05Å; R116-T118 VanDerWaalsContact O-N 3.12Å; T118-K120 VanDerWaalsContact C-N 3.27Å; T118-K120 PolarHBondContact O-N 3.48Å
119C48.9Very low54Low115 Ų115132.5 Ų132.578%0.77774%0.736SS**  trans-64.198.4160.136.20000106R117 T121R117-C119 PolarHBondContact O-N 3.32Å; C119-T121 PolarHBondContact O-N 3.48Å
120K48.6Very low52.2Low192 Ų192132.8 Ų132.884%0.83574%0.743SS**  trans-68.995.7159.6-70.1-159.2179.5-173.20105.9T118 G122T118-K120 VanDerWaalsContact C-N 3.27Å; T118-K120 PolarHBondContact O-N 3.48Å; K120-G122 PolarHBondContact O-N 2.61Å
121T38.2Very low50.1Low131 Ų131134.4 Ų134.480%0.80476%0.764SS**  trans-64.281.9160.4-350000106.3C119 Q123C119-T121 PolarHBondContact O-N 3.48Å; T121-Q123 PolarHBondContact O-N 3.43Å
122G43.7Very low48.4Very low68 Ų68132.5 Ų132.570%0.70178%0.775SS**  trans-82.3106.1172.400000108.7K120K120-G122 PolarHBondContact O-N 2.61Å
123Q38.2Very low46.7Very low197 Ų197130.5 Ų130.592%0.92177%0.77SS**  trans-55.6133.2161.7-64.3165.4-47.900108.9T121T121-Q123 PolarHBondContact O-N 3.43Å
124G37.1Very low45.6Very low76 Ų76129.8 Ų129.878%0.78477%0.771SS**  trans173.391.9175.300000116
125S41.5Very low44.9Very low111 Ų111136.6 Ų136.678%0.77679%0.791SS**  trans66.2111.5156.9-140.90000119.8
126Q41.7Very low44.7Very low175 Ų175137 Ų13782%0.81877%0.774SS**  trans-54.4129.7150.7-62.7169.93.200109
127Q45.4Very low45.4Very low180 Ų180130 Ų13084%0.84176%0.757SS**  trans175137.5137.9-91.414429.300109.5
128N47.2Very low45.8Very low143 Ų143125.3 Ų125.377%0.76575%0.752SS**  trans81.689.1178-80.6-11.2000119.6I130N128-I130 PolarHBondContact O-N 2.91Å
129V40.3Very low46.7Very low151 Ų151126 Ų12692%0.91575%0.747SS**  trans-79.271.5156.5-77.20000111
130I45.8Very low47.6Very low144 Ų144127.9 Ų127.974%0.73874%0.738SS**  trans-152.6133.2168.7-19.5167.9000110.2N128N128-I130 PolarHBondContact O-N 2.91Å
131A37.6Very low48.8Very low89 Ų89120.5 Ų120.574%0.73671%0.713SS**  trans84.384.8-179.900000117.6A133A131-A133 HydrophobicContact CB-CB 4.49Å; A131-A133 PolarHBondContact O-N 3.46Å
132V44Very low50.7Low160 Ų160118.5 Ų118.597%0.9770%0.697SS**  trans-79.559.3153.6-162.30000108.6G134V132-G134 PolarHBondContact O-N 3.07Å
133A45.1Very low52.3Low76 Ų76116.3 Ų116.363%0.62867%0.669SS**  trans-8389.8172.500000108.5A131 H135A131-A133 HydrophobicContact CB-CB 4.49Å; A131-A133 PolarHBondContact O-N 3.46Å; A133-H135 PolarHBondContact O-N 3.02Å
134G46.6Very low54.2Low74 Ų74110.2 Ų110.276%0.76364%0.642SS**  trans44.119.8140.800000121.6V132 M136V132-G134 PolarHBondContact O-N 3.07Å; G134-M136 PolarHBondContact O-N 3.2Å
135H44.3Very low56.4Low188 Ų188111.3 Ų111.387%0.8763%0.634SS**  trans-7279.8176.3-106.4-56.4000110A133 T137A133-H135 PolarHBondContact O-N 3.02Å; H135-T137 PolarHBondContact O-N 3.41Å
136M48.3Very low58.3Low82 Ų82110.2 Ų110.240%0.40462%0.619SS.*  trans-59.2119.5161.6-174.7164.8-92.400106.9G134 R140 A141 L144G134-M136 PolarHBondContact O-N 3.2Å; M136-R140 HydrophobicContact CE-CG 3.99Å; M136-R140 HydrophobicContact CG-CB 3.83Å; M136-R140 HydrophobicContact CG-CG 4.02Å; M136-R140 HydrophobicContact SD-CG 4.41Å; M136-A141 HydrophobicContact CG-CB 4.17Å; M136-A141 HydrophobicContact SD-CB 4.02Å; M136-L144 HydrophobicContact CE-CD1 3.21Å; M136-L144 HydrophobicContact CE-CG 4.42Å; M136-L144 HydrophobicContact SD-CD1 3.66Å
137T62.1Low60.4Low85 Ų85102.1 Ų102.152%0.52158%0.582SS.*  trans-58.7144.4173.956.40000108.7H135 K139 R140 A141H135-T137 PolarHBondContact O-N 3.41Å; T137-K139 PolarHBondContact O-N 2.89Å; T137-K139 VanDerWaalsContact O-N 3.09Å; T137-R140 WeakPolarHBondContact O-CA 3.3Å; T137-R140 WeakPolarHBondContact O-CB 3.4Å; T137-R140 PolarHBondContact O-N 3.26Å; T137-R140 WeakPolarHBondContact OG1-CB 3.43Å; T137-A141 PolarHBondContact O-N 3.41Å; T137-A141 VanDerWaalsContact O-N 3.17Å
138P63.7Low62.2Low100 Ų10096.4 Ų96.465%0.64957%0.566SS**Hα-helixtrans-54.1-37.9-176.518.7-31.4000111.6R140 A141 D142P138-R140 VanDerWaalsContact C-N 3.32Å; P138-R140 PolarHBondContact O-N 3.47Å; P138-A141 WeakPolarHBondContact O-CB 3.4Å; P138-A141 PolarHBondContact O-N 2.77Å; P138-A141 VanDerWaalsContact O-N 3.14Å; P138-D142 VanDerWaalsContact O-CG 3.26Å; P138-D142 PolarHBondContact O-N 3.44Å
139K71.6Confident64Low110 Ų11091.3 Ų91.348%0.47855%0.547SS..Hα-helixtrans-60.2-36.4175.4-64.3-170.9176.5-1760114I110 T137 L143I110-K139 HydrophobicContact CD1-CD 4.46Å; T137-K139 PolarHBondContact O-N 2.89Å; T137-K139 VanDerWaalsContact O-N 3.09Å; K139-L143 VanDerWaalsContact O-CB 3.31Å; K139-L143 WeakPolarHBondContact O-CB 3.45Å; K139-L143 PolarHBondContact O-N 2.98Å; K139-L143 VanDerWaalsContact O-N 3.07Å
140R69.4Low66Low154 Ų15486.2 Ų86.258%0.58152%0.516SS*.Hα-helixtrans-74.5-33.2178.1-171.9179175.9163.6-1.3111.2M136 T137 P138 L143 L144M136-R140 HydrophobicContact CE-CG 3.99Å; M136-R140 HydrophobicContact CG-CB 3.83Å; M136-R140 HydrophobicContact CG-CG 4.02Å; M136-R140 HydrophobicContact SD-CG 4.41Å; T137-R140 WeakPolarHBondContact O-CA 3.3Å; T137-R140 WeakPolarHBondContact O-CB 3.4Å; T137-R140 PolarHBondContact O-N 3.26Å; T137-R140 WeakPolarHBondContact OG1-CB 3.43Å; P138-R140 VanDerWaalsContact C-N 3.32Å; P138-R140 PolarHBondContact O-N 3.47Å; R140-L143 WeakPolarHBondContact O-CB 3.16Å; R140-L144 WeakPolarHBondContact O-CG 3.31Å; R140-L144 PolarHBondContact O-N 3.07Å; R140-L144 VanDerWaalsContact O-N 3.15Å
141A73.2Confident67.8Low37 Ų3780.6 Ų80.631%0.30649%0.488SS..Hα-helixtrans-65.7-47.8172.300000111M136 T137 P138 L143 L144 T145M136-A141 HydrophobicContact CG-CB 4.17Å; M136-A141 HydrophobicContact SD-CB 4.02Å; T137-A141 PolarHBondContact O-N 3.41Å; T137-A141 VanDerWaalsContact O-N 3.17Å; P138-A141 WeakPolarHBondContact O-CB 3.4Å; P138-A141 PolarHBondContact O-N 2.77Å; P138-A141 VanDerWaalsContact O-N 3.14Å; A141-L143 VanDerWaalsContact C-N 3.26Å; A141-L143 PolarHBondContact O-N 3.29Å; A141-L144 PolarHBondContact O-N 3.11Å; A141-L144 VanDerWaalsContact O-N 3.12Å; A141-T145 PolarHBondContact O-N 3.4Å; A141-T145 PolarHBondContact O-OG1 3.01Å
142D77.7Confident70Confident89 Ų8981.7 Ų81.748%0.47648%0.482SS..Hα-helixtrans-58.2-40.2176.6-61.8-28.1000112P138 T145 N146P138-D142 VanDerWaalsContact O-CG 3.26Å; P138-D142 PolarHBondContact O-N 3.44Å; D142-T145 PolarHBondContact O-N 2.96Å; D142-N146 WeakPolarHBondContact O-CB 3.33Å; D142-N146 VanDerWaalsContact O-CG 3.24Å; D142-N146 PolarHBondContact O-N 2.79Å; D142-N146 PolarHBondContact O-ND2 3.05Å
143L77.1Confident71.8Confident21 Ų2182 Ų8211%0.1147%0.47CS..Hα-helixtrans-59.9-46.7176.4177.863.6000111.6L99 T102 A103 K139 R140 A141 V147L99-L143 HydrophobicContact CD2-CD2 4.37Å; L99-L143 HydrophobicContact CD2-CG 4Å; T102-L143 HydrophobicContact CG2-CD1 3.23Å; A103-L143 HydrophobicContact CB-CD1 4.45Å; A103-L143 HydrophobicContact CB-CD2 3.98Å; K139-L143 VanDerWaalsContact O-CB 3.31Å; K139-L143 WeakPolarHBondContact O-CB 3.45Å; K139-L143 PolarHBondContact O-N 2.98Å; K139-L143 VanDerWaalsContact O-N 3.07Å; R140-L143 WeakPolarHBondContact O-CB 3.16Å; A141-L143 VanDerWaalsContact C-N 3.26Å; A141-L143 PolarHBondContact O-N 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 3.38Å; L143-V147 VanDerWaalsContact O-N 3.07Å
144L78.6Confident73.4Confident69 Ų6979.2 Ų79.236%0.36145%0.445SS..Hα-helixtrans-66.2-41.8178.5-70.7176.9000112.1L99 M136 R140 A141 V147 A148L99-L144 HydrophobicContact CD1-CD2 4.31Å; L99-L144 HydrophobicContact CD2-CD2 3.63Å; M136-L144 HydrophobicContact CE-CD1 3.21Å; M136-L144 HydrophobicContact CE-CG 4.42Å; M136-L144 HydrophobicContact SD-CD1 3.66Å; R140-L144 WeakPolarHBondContact O-CG 3.31Å; R140-L144 PolarHBondContact O-N 3.07Å; R140-L144 VanDerWaalsContact O-N 3.15Å; A141-L144 PolarHBondContact O-N 3.11Å; A141-L144 VanDerWaalsContact O-N 3.12Å; L144-V147 PolarHBondContact O-N 2.87Å; L144-A148 WeakPolarHBondContact O-CB 3.23Å; L144-A148 PolarHBondContact O-N 2.8Å
145T83.8Confident74.6Confident99 Ų9979.1 Ų79.161%0.60744%0.436SS*.Hα-helixtrans-62.3-44.2177.8-56.30000111.4A141 D142 A148 G149A141-T145 PolarHBondContact O-N 3.4Å; A141-T145 PolarHBondContact O-OG1 3.01Å; D142-T145 PolarHBondContact O-N 2.96Å; T145-A148 PolarHBondContact O-N 3.31Å; T145-G149 PolarHBondContact O-N 3.38Å
146N81.8Confident74.9Confident88 Ų8879.3 Ų79.347%0.47144%0.442SS..Hα-helixtrans-62-46.4176.8-72.9-18.3000111.6T102 D142 G149 V150T102-N146 HydrophobicContact CG2-CB 4.5Å; D142-N146 WeakPolarHBondContact O-CB 3.33Å; D142-N146 VanDerWaalsContact O-CG 3.24Å; D142-N146 PolarHBondContact O-N 2.79Å; D142-N146 PolarHBondContact O-ND2 3.05Å; N146-G149 PolarHBondContact O-N 3.33Å; N146-V150 WeakPolarHBondContact O-CG2 3.16Å; N146-V150 PolarHBondContact O-N 3.29Å
147V84.3Confident76.2Confident6 Ų679.2 Ų79.24%0.03644%0.444CS..Hα-helixtrans-64.9-42.4178.51710000111.5L98 L99 L143 L144 G149 V150 V151L98-V147 HydrophobicContact CB-CG1 3.71Å; L98-V147 HydrophobicContact CB-CG2 4.11Å; L98-V147 HydrophobicContact CD1-CG1 4.35Å; L99-V147 HydrophobicContact CD2-CB 4.02Å; L99-V147 HydrophobicContact CD2-CG1 4.26Å; L99-V147 HydrophobicContact CD2-CG2 3.69Å; L99-V147 HydrophobicContact CG-CB 4.43Å; L99-V147 HydrophobicContact CG-CG1 4.15Å; L99-V147 HydrophobicContact CG-CG2 4.11Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 3.38Å; L143-V147 VanDerWaalsContact O-N 3.07Å; L144-V147 PolarHBondContact O-N 2.87Å; V147-G149 VanDerWaalsContact C-N 3.26Å; V147-G149 PolarHBondContact O-N 3.19Å; V147-V150 PolarHBondContact O-N 2.71Å; V147-V150 VanDerWaalsContact O-N 3.12Å; V147-V151 HydrophobicContact CG1-CG2 4.14Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.12Å
148A84.5Confident76.9Confident60 Ų6078.9 Ų78.950%0.49644%0.44SS..Hα-helixtrans-57.9-41.1175.200000111.4L144 T145 V151 N152L144-A148 WeakPolarHBondContact O-CB 3.23Å; L144-A148 PolarHBondContact O-N 2.8Å; T145-A148 PolarHBondContact O-N 3.31Å; A148-V151 PolarHBondContact O-N 2.97Å; A148-N152 WeakPolarHBondContact O-CB 3.41Å; A148-N152 PolarHBondContact O-N 3.03Å
149G83.5Confident77.7Confident35 Ų3577.7 Ų77.736%0.36143%0.428SS..Hα-helixtrans-62-41.217400000113.5T145 N146 V147 K153T145-G149 PolarHBondContact O-N 3.38Å; N146-G149 PolarHBondContact O-N 3.33Å; V147-G149 VanDerWaalsContact C-N 3.26Å; V147-G149 PolarHBondContact O-N 3.19Å; G149-K153 WeakPolarHBondContact O-CG 3.44Å; G149-K153 PolarHBondContact O-N 3.29Å; G149-K153 VanDerWaalsContact O-N 3.15Å
150V83.9Confident78Confident45 Ų4575.8 Ų75.827%0.27343%0.425SS..Hα-helixtrans-68.4-45.3176.7176.90000111.4A42 L98 N146 V147 N152 K153 L154A42-V150 HydrophobicContact CB-CG1 3.76Å; L98-V150 HydrophobicContact CD1-CB 4.32Å; L98-V150 HydrophobicContact CD1-CG1 3.86Å; L98-V150 HydrophobicContact CD2-CG1 3.81Å; L98-V150 HydrophobicContact CG-CG1 4.48Å; N146-V150 WeakPolarHBondContact O-CG2 3.16Å; N146-V150 PolarHBondContact O-N 3.29Å; V147-V150 PolarHBondContact O-N 2.71Å; V147-V150 VanDerWaalsContact O-N 3.12Å; V150-N152 VanDerWaalsContact C-N 3.3Å; V150-N152 PolarHBondContact O-N 3.03Å; V150-K153 PolarHBondContact O-N 3.49Å; V150-K153 VanDerWaalsContact O-N 3.17Å; V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.45Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.91Å
151V83.2Confident78.6Confident26 Ų2670.9 Ų70.916%0.15842%0.415CS..Hα-helixtrans-59.6-42.9177.4173.90000110.7K95 L98 V147 A148 K153 L154 A155K95-V151 HydrophobicContact CG-CG2 4.13Å; L98-V151 HydrophobicContact CD1-CG2 3.5Å; L98-V151 VanDerWaalsContact CD1-CG2 3.5Å; V147-V151 HydrophobicContact CG1-CG2 4.14Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.12Å; A148-V151 PolarHBondContact O-N 2.97Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.17Å; V151-L154 CarbonylContact O-C 3.55Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.11Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.2Å; V151-A155 VanDerWaalsContact O-N 3.07Å
152N82.9Confident78.9Confident112 Ų11273.2 Ų73.260%0.59942%0.423SS*.Hα-helixtrans-63-38.8177.7-166.744.7000112.1A148 V150 L154 A155A148-N152 WeakPolarHBondContact O-CB 3.41Å; A148-N152 PolarHBondContact O-N 3.03Å; V150-N152 VanDerWaalsContact C-N 3.3Å; V150-N152 PolarHBondContact O-N 3.03Å; N152-L154 VanDerWaalsContact C-N 3.27Å; N152-L154 PolarHBondContact O-N 3.03Å; N152-A155 PolarHBondContact O-N 3.48Å
153K82.2Confident79Confident166 Ų16672.1 Ų72.172%0.72242%0.419SS*.Hα-helixtrans-65.9-28.9174.1-73.2176.8-179.5-173.30113.3G149 V150 V151G149-K153 WeakPolarHBondContact O-CG 3.44Å; G149-K153 PolarHBondContact O-N 3.29Å; G149-K153 VanDerWaalsContact O-N 3.15Å; V150-K153 PolarHBondContact O-N 3.49Å; V150-K153 VanDerWaalsContact O-N 3.17Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.17Å
154L79.5Confident79.2Confident18 Ų1876 Ų769%0.09444%0.443CS..THydrogen-bonded Turntrans-87.5-5177.6-66.4172.1000113.4A42 V45 A46 R49 L94 L98 V150 V151 N152A42-L154 HydrophobicContact CB-CD1 4.02Å; A42-L154 HydrophobicContact CB-CD2 4.42Å; A42-L154 WeakPolarHBondContact O-CD2 3.5Å; V45-L154 HydrophobicContact CB-CD1 4.45Å; V45-L154 HydrophobicContact CG1-CD1 4.15Å; A46-L154 HydrophobicContact CB-CD2 3.96Å; R49-L154 WeakPolarHBondContact CD-O 3.35Å; R49-L154 PolarHBondContact NE-O 3.12Å; L94-L154 HydrophobicContact CD1-CD1 4.3Å; L94-L154 HydrophobicContact CD2-CD1 4.34Å; L98-L154 HydrophobicContact CD1-CD1 4.32Å; V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.45Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.91Å; V151-L154 CarbonylContact O-C 3.55Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.11Å; N152-L154 VanDerWaalsContact C-N 3.27Å; N152-L154 PolarHBondContact O-N 3.03Å
155A71.3Confident79.2Confident71 Ų7176.6 Ų76.659%0.58745%0.449SS*.  trans-96.80.4178.900000113.1V151 N152V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.2Å; V151-A155 VanDerWaalsContact O-N 3.07Å; N152-A155 PolarHBondContact O-N 3.48Å
156I49.9Very low78.8Confident193 Ų19374.5 Ų74.599%0.9944%0.435SS*.  trans-95.60172-51.9171.6000108.1

Retrieved 156 of 156 residues in 266.1 ms (Link to these results)