A0A077ZEH4_TRITR Loading...

MobB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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
1M57.9Low83.3Confident244 Ų24497.5 Ų97.5100%1.20253%0.531SS*.  0128.70-96.9-178.8173.800107.2
2D73.8Confident84.3Confident89 Ų8997.1 Ų97.148%0.47652%0.523SS..  trans-75.6131.5169.2-89.6-50.3000109.5D4 Y11 R14D2-D4 VanDerWaalsContact C-N 3.26Å; D2-D4 WeakPolarHBondContact CB-O 3.31Å; D2-Y11 HydrophobicContact CB-CE2 4.5Å; D2-R14 IonicContact OD1-CZ 3.6Å; D2-R14 IonicContact OD1-NH1 3.5Å; D2-R14 IonicContact OD1-NH2 2.75Å; D2-R14 PolarHBondContact OD1-NH2 3.06Å
3V74.8Confident85Confident104 Ų10497.3 Ų97.363%0.6352%0.523SS*.SBendtrans-69.3-28.8176.1178.70000111.2M32V3-M32 HydrophobicContact CB-CE 4.4Å; V3-M32 HydrophobicContact CB-CG 4.34Å; V3-M32 HydrophobicContact CG1-CE 4Å; V3-M32 HydrophobicContact CG1-CG 4.26Å; V3-M32 HydrophobicContact CG1-SD 4.45Å; V3-M32 HydrophobicContact CG2-CG 4.18Å
4D82.2Confident85.6Confident18 Ų1892.5 Ų92.510%0.09649%0.493CS..SBendtrans-126.5159-179.1-84.3-51.5000112D2 K8 S10 Y11 M32D2-D4 VanDerWaalsContact C-N 3.26Å; D2-D4 WeakPolarHBondContact CB-O 3.31Å; D4-K8 HydrophobicContact CB-CD 4.09Å; D4-K8 WeakPolarHBondContact OD1-CD 3.18Å; D4-K8 IonicContact OD1-NZ 2.77Å; D4-K8 PolarHBondContact OD1-NZ 3.35Å; D4-S10 WeakPolarHBondContact OD2-CB 3.46Å; D4-S10 PolarHBondContact OD2-OG 2.87Å; D4-Y11 WeakPolarHBondContact O-CD2 3.17Å; D4-M32 WeakPolarHBondContact OD2-CE 3.41Å
5K85.3Confident86Confident166 Ų16695.3 Ų95.372%0.72250%0.499SS*.  trans-91.5151.9179.4-62.6-179.4-179.3-1800110.8K8 Y11K5-K8 PolarHBondContact O-N 3.07Å; K5-Y11 WeakPolarHBondContact O-CB 3.3Å
6P87.7Confident86.6Confident95 Ų9594.8 Ų94.862%0.61751%0.514SS*.THydrogen-bonded Turntrans-46.7140.7169-26.632.5000112.8Y11P6-Y11 HydrophobicContact CB-CD1 4.32Å; P6-Y11 HydrophobicContact CB-CE1 3.97Å; P6-Y11 HydrophobicContact CG-CE1 4.01Å; P6-Y11 HydrophobicContact CG-CE2 4.05Å
7G88.2Confident87Confident65 Ų6592.9 Ų92.967%0.6752%0.522SS*.THydrogen-bonded Turntrans89.1-3.2-178.200000115.9E12G7-E12 PolarHBondContact N-OE1 2.91Å
8K91.4Very high87.4Confident112 Ų11289.4 Ų89.449%0.48751%0.506SS..SBendtrans-89.3142.9164.3-78.5-175167.7-172.70110.8D4 K5 S10 Y11 E12D4-K8 HydrophobicContact CB-CD 4.09Å; D4-K8 WeakPolarHBondContact OD1-CD 3.18Å; D4-K8 IonicContact OD1-NZ 2.77Å; D4-K8 PolarHBondContact OD1-NZ 3.35Å; K5-K8 PolarHBondContact O-N 3.07Å; K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.19Å; K8-Y11 WeakPolarHBondContact O-CA 3.24Å; K8-Y11 VanDerWaalsContact O-CB 3.31Å; K8-Y11 WeakPolarHBondContact O-CB 3.32Å; K8-Y11 PolarHBondContact O-N 2.88Å; K8-E12 PolarHBondContact O-N 3.43Å; K8-E12 VanDerWaalsContact O-N 3.07Å
9D92.1Very high87.8Confident135 Ų13588.3 Ų88.372%0.72251%0.509SS*.Hα-helixtrans-53.7-42178.4-63.4-5.1000113Y11 E12 L13D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact O-N 3.34Å; D9-L13 WeakPolarHBondContact O-CB 3.43Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.37Å; D9-L13 PolarHBondContact O-N 3.42Å
10S91.3Very high88.2Confident14 Ų1490.2 Ų90.210%0.09851%0.513CS..Hα-helixtrans-63.2-31.817751.20000113.4D4 K8 R14D4-S10 WeakPolarHBondContact OD2-CB 3.46Å; D4-S10 PolarHBondContact OD2-OG 2.87Å; K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.19Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.05Å
11Y92.1Very high88.5Confident30 Ų3086.3 Ų86.312%0.11849%0.492CS..Hα-helixtrans-70.9-48.7173.8179.3-85.4000110.6D2 D4 K5 P6 K8 D9 L13 R14 K15D2-Y11 HydrophobicContact CB-CE2 4.5Å; D4-Y11 WeakPolarHBondContact O-CD2 3.17Å; K5-Y11 WeakPolarHBondContact O-CB 3.3Å; P6-Y11 HydrophobicContact CB-CD1 4.32Å; P6-Y11 HydrophobicContact CB-CE1 3.97Å; P6-Y11 HydrophobicContact CG-CE1 4.01Å; P6-Y11 HydrophobicContact CG-CE2 4.05Å; K8-Y11 WeakPolarHBondContact O-CA 3.24Å; K8-Y11 VanDerWaalsContact O-CB 3.31Å; K8-Y11 WeakPolarHBondContact O-CB 3.32Å; K8-Y11 PolarHBondContact O-N 2.88Å; D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.26Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 2.96Å; Y11-R14 PolarHBondContact O-N 3.36Å; Y11-K15 HydrophobicContact CD1-CG 3.92Å; Y11-K15 HydrophobicContact CE1-CD 4.35Å; Y11-K15 HydrophobicContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 2.83Å; Y11-K15 WeakPolarHBondContact OH-CE 3.37Å
12E94.5Very high90.3Very high93 Ų9379.9 Ų79.944%0.43546%0.461SS..Hα-helixtrans-64.7-37.4-178.1-58.1-52.1146.400111.9G7 K8 D9 K15 A16G7-E12 PolarHBondContact N-OE1 2.91Å; K8-E12 PolarHBondContact O-N 3.43Å; K8-E12 VanDerWaalsContact O-N 3.07Å; D9-E12 PolarHBondContact O-N 3.34Å; E12-K15 PolarHBondContact O-N 2.77Å; E12-A16 WeakPolarHBondContact O-CB 3.5Å; E12-A16 PolarHBondContact O-N 2.56Å
13L94Very high91.2Very high100 Ų10078.8 Ų78.852%0.52446%0.457SS..Hα-helixtrans-62.2-44.8175.4-73.4171.8000112.4D9 Y11 A16 G17 A18D9-L13 WeakPolarHBondContact O-CB 3.43Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.37Å; D9-L13 PolarHBondContact O-N 3.42Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.41Å; L13-G17 PolarHBondContact O-N 3.31Å; L13-A18 HydrophobicContact CB-CB 4.38Å; L13-A18 WeakPolarHBondContact O-CB 2.98Å; L13-A18 PolarHBondContact O-N 3.3Å
14R93.3Very high92.2Very high30 Ų3077.4 Ų77.411%0.11346%0.456CS..Hα-helixtrans-65.4-43.4175.6-68.1-178.5-41.898.2-1.6111.4D2 S10 Y11 A16 G17 T21 E34D2-R14 IonicContact OD1-CZ 3.6Å; D2-R14 IonicContact OD1-NH1 3.5Å; D2-R14 IonicContact OD1-NH2 2.75Å; D2-R14 PolarHBondContact OD1-NH2 3.06Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.05Å; Y11-R14 PolarHBondContact O-N 3.36Å; R14-A16 PolarHBondContact O-N 3.36Å; R14-G17 WeakPolarHBondContact O-CA 3.35Å; R14-G17 PolarHBondContact O-N 3.27Å; R14-T21 VanDerWaalsContact CG-OG1 3.3Å; R14-T21 WeakPolarHBondContact CG-OG1 3.32Å; R14-E34 WeakPolarHBondContact CD-OE1 3.37Å; R14-E34 IonicContact CZ-OE1 3.63Å; R14-E34 IonicContact NE-OE1 3.8Å; R14-E34 IonicContact NH1-OE1 2.72Å; R14-E34 PolarHBondContact NH1-OE1 2.92Å
15K91.8Very high92.8Very high134 Ų13480 Ų8058%0.58348%0.477SS*.Hα-helixtrans-60.8-31.2174.4-76.9-58.7-163.3-1750113.1Y11 E12 G17Y11-K15 HydrophobicContact CD1-CG 3.92Å; Y11-K15 HydrophobicContact CE1-CD 4.35Å; Y11-K15 HydrophobicContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 2.83Å; Y11-K15 WeakPolarHBondContact OH-CE 3.37Å; E12-K15 PolarHBondContact O-N 2.77Å; K15-G17 PolarHBondContact O-N 3.33Å
16A94.5Very high93.3Very high88 Ų8882.1 Ų82.173%0.72749%0.489SS*.THydrogen-bonded Turntrans-76.2-0.8173.400000113.9E12 L13 R14E12-A16 WeakPolarHBondContact O-CB 3.5Å; E12-A16 PolarHBondContact O-N 2.56Å; L13-A16 PolarHBondContact O-N 3.41Å; R14-A16 PolarHBondContact O-N 3.36Å
17G94Very high93.7Very high63 Ų6385.6 Ų85.665%0.64950%0.497SS*.THydrogen-bonded Turntrans98.614.8175.200000114.9L13 R14 K15 A19L13-G17 PolarHBondContact O-N 3.31Å; R14-G17 WeakPolarHBondContact O-CA 3.35Å; R14-G17 PolarHBondContact O-N 3.27Å; K15-G17 PolarHBondContact O-N 3.33Å; G17-A19 PolarHBondContact O-N 3.17Å; G17-A19 VanDerWaalsContact O-N 3.09Å
18A95.2Very high94.1Very high30 Ų3091.3 Ų91.325%0.24850%0.498CS..  trans-63.1112.7171.600000110.3L13 Q20L13-A18 HydrophobicContact CB-CB 4.38Å; L13-A18 WeakPolarHBondContact O-CB 2.98Å; L13-A18 PolarHBondContact O-N 3.3Å; A18-Q20 PolarHBondContact O-N 2.95Å
19A94.3Very high94.3Very high68 Ų6894.6 Ų94.656%0.56251%0.508SS*.SBendtrans-63.7-28.2178.900000113G17 T33 E34G17-A19 PolarHBondContact O-N 3.17Å; G17-A19 VanDerWaalsContact O-N 3.09Å; A19-T33 WeakPolarHBondContact O-CA 3.22Å; A19-E34 PolarHBondContact O-N 2.83Å
20Q95.3Very high94.4Very high125 Ų12590.5 Ų90.558%0.58449%0.493SS*.EExtended strand (participates in β ladder)trans-137.3140.9174.7-67.9-174.25.500110.6A18 L31 M32 T33A18-Q20 PolarHBondContact O-N 2.95Å; Q20-L31 HydrophobicContact CB-CD1 4.17Å; Q20-M32 CarbonylContact C-O 3.5Å; Q20-M32 VanDerWaalsContact CA-O 3.27Å; Q20-M32 WeakPolarHBondContact CA-O 3.16Å; Q20-T33 HydrophobicContact CG-CG2 3.95Å
21T95.1Very high94.5Very high10 Ų1093.6 Ų93.66%0.06151%0.507CS..EExtended strand (participates in β ladder)trans-134.8133.8175.9-62.30000109.6R14 M32R14-T21 VanDerWaalsContact CG-OG1 3.3Å; R14-T21 WeakPolarHBondContact CG-OG1 3.32Å; T21-M32 PolarHBondContact N-O 2.72Å; T21-M32 PolarHBondContact O-N 2.87Å
22I95Very high94.5Very high109 Ų10993.2 Ų93.256%0.55951%0.507SS*.EExtended strand (participates in β ladder)trans-113.6130.4174.5-65.8176.3000109.4A24 A30 L31I22-A24 HydrophobicContact CG2-CB 4.35Å; I22-A30 WeakPolarHBondContact CA-O 3.48Å; I22-L31 HydrophobicContact CD1-CD1 4.1Å; I22-L31 HydrophobicContact CG1-CB 4.21Å; I22-L31 HydrophobicContact CG1-CD1 3.52Å; I22-L31 HydrophobicContact CG1-CG 4.46Å
23V93.4Very high94.5Very high66 Ų6692.1 Ų92.140%0.451%0.507SS..EExtended strand (participates in β ladder)trans-111.9125.7167.3-178.20000108.2W29 A30 M32V23-W29 CarbonylContact O-C 3.54Å; V23-W29 VanDerWaalsContact O-CA 3.22Å; V23-W29 WeakPolarHBondContact O-CA 3.27Å; V23-A30 PolarHBondContact N-O 2.75Å; V23-A30 PolarHBondContact O-N 3.09Å; V23-M32 HydrophobicContact CG2-CE 3.99Å
24A94.6Very high94.4Very high74 Ų7491 Ų9161%0.61250%0.499SS*.EExtended strand (participates in β ladder)trans-135.4146.6-174.300000113I22 W29I22-A24 HydrophobicContact CG2-CB 4.35Å; A24-W29 HydrophobicContact CB-CB 3.77Å
25S95.1Very high94.3Very high74 Ų7492.6 Ų92.652%0.51751%0.512SS..  trans-131.1177.116379.30000109.1Q27 R28S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.17Å; S25-Q27 PolarHBondContact OG-N 2.91Å; S25-R28 PolarHBondContact N-O 2.9Å; S25-R28 VanDerWaalsContact O-O 3.13Å
26Q96.6Very high94Very high209 Ų20991.4 Ų91.498%0.97752%0.518SS*.SBendtrans-60.1-25.5176.9-67.7-179.747.700113.5
27Q96.7Very high93.5Very high168 Ų16894.5 Ų94.579%0.78552%0.522SS*.SBendtrans-98.9-21.6-173.2-67.3-176.8-28.200113.9S25S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.17Å; S25-Q27 PolarHBondContact OG-N 2.91Å
28R96Very high92.6Very high186 Ų18697.6 Ų97.670%0.70252%0.52SS*.  trans-165.7158.5-176.864.2-168.971175.42.2111.5S25S25-R28 PolarHBondContact N-O 2.9Å; S25-R28 VanDerWaalsContact O-O 3.13Å
29W95.1Very high91.8Very high181 Ų181105.9 Ų105.969%0.68655%0.553SS**EExtended strand (participates in β ladder)trans-135.7157.1168.861.1-90000110V23 A24 L31V23-W29 CarbonylContact O-C 3.54Å; V23-W29 VanDerWaalsContact O-CA 3.22Å; V23-W29 WeakPolarHBondContact O-CA 3.27Å; A24-W29 HydrophobicContact CB-CB 3.77Å; W29-L31 HydrophobicContact CE3-CB 4.16Å; W29-L31 HydrophobicContact CZ3-CB 3.59Å
30A93.9Very high91.2Very high49 Ų49109.7 Ų109.741%0.40556%0.56SS.*EExtended strand (participates in β ladder)trans-128.4135.7171.700000108.7I22 V23 M32I22-A30 WeakPolarHBondContact CA-O 3.48Å; V23-A30 PolarHBondContact N-O 2.75Å; V23-A30 PolarHBondContact O-N 3.09Å; A30-M32 HydrophobicContact CB-SD 4.19Å
31L94Very high90.8Very high78 Ų78107.1 Ų107.141%0.40855%0.55SS..EExtended strand (participates in β ladder)trans-109.1129.8170.8168.767000108Q20 I22 W29Q20-L31 HydrophobicContact CB-CD1 4.17Å; I22-L31 HydrophobicContact CD1-CD1 4.1Å; I22-L31 HydrophobicContact CG1-CB 4.21Å; I22-L31 HydrophobicContact CG1-CD1 3.52Å; I22-L31 HydrophobicContact CG1-CG 4.46Å; W29-L31 HydrophobicContact CE3-CB 4.16Å; W29-L31 HydrophobicContact CZ3-CB 3.59Å
32M93.2Very high90.6Very high22 Ų22110.8 Ų110.811%0.10857%0.569CS.*EExtended strand (participates in β ladder)trans-114.4130.8171.5-60.686.2100.700108.1V3 D4 Q20 T21 V23 A30V3-M32 HydrophobicContact CB-CE 4.4Å; V3-M32 HydrophobicContact CB-CG 4.34Å; V3-M32 HydrophobicContact CG1-CE 4Å; V3-M32 HydrophobicContact CG1-CG 4.26Å; V3-M32 HydrophobicContact CG1-SD 4.45Å; V3-M32 HydrophobicContact CG2-CG 4.18Å; D4-M32 WeakPolarHBondContact OD2-CE 3.41Å; Q20-M32 CarbonylContact C-O 3.5Å; Q20-M32 VanDerWaalsContact CA-O 3.27Å; Q20-M32 WeakPolarHBondContact CA-O 3.16Å; T21-M32 PolarHBondContact N-O 2.72Å; T21-M32 PolarHBondContact O-N 2.87Å; V23-M32 HydrophobicContact CG2-CE 3.99Å; A30-M32 HydrophobicContact CB-SD 4.19Å
33T93Very high90.5Very high70 Ų70106 Ų10643%0.42954%0.544SS..EExtended strand (participates in β ladder)trans-121.1125.2176-58.70000107.7A19 Q20A19-T33 WeakPolarHBondContact O-CA 3.22Å; Q20-T33 HydrophobicContact CG-CG2 3.95Å
34E92.6Very high90.4Very high78 Ų78106.9 Ų106.936%0.36454%0.544SS..  trans-74.1136.1172.3-59.4-62.2157.100109.4R14 A19 P36R14-E34 WeakPolarHBondContact CD-OE1 3.37Å; R14-E34 IonicContact CZ-OE1 3.63Å; R14-E34 IonicContact NE-OE1 3.8Å; R14-E34 IonicContact NH1-OE1 2.72Å; R14-E34 PolarHBondContact NH1-OE1 2.92Å; A19-E34 PolarHBondContact O-N 2.83Å; E34-P36 VanDerWaalsContact C-CD 3.42Å
35T90.9Very high90.3Very high62 Ų62108.2 Ų108.238%0.3854%0.536SS..  trans-126.261.5178.757.90000110.3D37 E38 L41T35-D37 VanDerWaalsContact C-N 3.29Å; T35-D37 PolarHBondContact O-N 3.4Å; T35-E38 HydrophobicContact CG2-CG 4.36Å; T35-L41 HydrophobicContact CG2-CD2 4.08Å
36P84.8Confident90.2Very high110 Ų110107.5 Ų107.571%0.71453%0.526SS*.THydrogen-bonded Turntrans-68.7-26.8-170.928.6-35.8000113.8E34E34-P36 VanDerWaalsContact C-CD 3.42Å
37D84.1Confident90.1Very high153 Ų15397.8 Ų97.882%0.81848%0.482SS*.THydrogen-bonded Turntrans-101.2-0.5-174.9-56-46.9000113.2T35T35-D37 VanDerWaalsContact C-N 3.29Å; T35-D37 PolarHBondContact O-N 3.4Å
38E76.7Confident90Very high127 Ų12793.2 Ų93.259%0.59347%0.469SS*.  trans-88.7120.7-179.9-62.7-70.9172.500110T35T35-E38 HydrophobicContact CG2-CG 4.36Å
39E77.3Confident89.9Confident204 Ų20492.6 Ų92.695%0.95347%0.466SS*.SBendtrans-69.4-37.6177.8-67.6-172168.900112.1
40E83.1Confident89.9Confident149 Ų14988.3 Ų88.370%0.69646%0.455SS*.SBendtrans-144.4139178.2-172.3163.5-152.800110.4D42E40-D42 PolarHBondContact O-N 2.75Å
41L85.9Confident89.9Confident71 Ų7189.5 Ų89.537%0.37245%0.454SS..  trans-77.2120.2178-71.6173.5000110.2T35 L43 L46 F63T35-L41 HydrophobicContact CG2-CD2 4.08Å; L41-L43 PolarHBondContact O-N 3.38Å; L41-L46 HydrophobicContact CB-CD1 4.09Å; L41-L46 HydrophobicContact CD1-CD1 4.36Å; L41-F63 HydrophobicContact CB-CE1 4.06Å; L41-F63 HydrophobicContact CB-CZ 4.15Å; L41-F63 HydrophobicContact CD1-CZ 4.42Å
42D90.3Very high89.8Confident87 Ų8788.7 Ų88.747%0.46545%0.453SS..  trans-73.9111.7170.7172.52000110.5E40 Q44 F45 L46E40-D42 PolarHBondContact O-N 2.75Å; D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.44Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.12Å; D42-Q44 VanDerWaalsContact OD1-CB 3.31Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.3Å; D42-Q44 PolarHBondContact OD1-N 3.07Å; D42-F45 HydrophobicContact CB-CB 3.8Å; D42-F45 WeakPolarHBondContact O-CB 3.32Å; D42-F45 PolarHBondContact O-N 3.01Å; D42-F45 PolarHBondContact OD1-N 2.59Å; D42-F45 WeakPolarHBondContact OD2-CB 3.39Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.17Å
43L92.6Very high89.9Confident8 Ų892.5 Ų92.54%0.04248%0.481CS..Hα-helixtrans-61.7-36179.2-178.860.2000113L41 L46 A47 V60 F63 E66 I68L41-L43 PolarHBondContact O-N 3.38Å; L43-L46 PolarHBondContact O-N 3.4Å; L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.95Å; L43-V60 HydrophobicContact CD1-CG1 3.86Å; L43-V60 HydrophobicContact CD1-CG2 3.93Å; L43-V60 HydrophobicContact CD2-CG1 4.24Å; L43-V60 HydrophobicContact CD2-CG2 4.32Å; L43-F63 HydrophobicContact CB-CD1 4.03Å; L43-F63 HydrophobicContact CB-CE1 4.12Å; L43-F63 HydrophobicContact CD1-CD1 4.36Å; L43-F63 HydrophobicContact CD1-CD2 4.37Å; L43-F63 HydrophobicContact CD1-CE1 4.36Å; L43-F63 HydrophobicContact CD1-CE2 4.37Å; L43-F63 HydrophobicContact CD1-CG 4.37Å; L43-F63 HydrophobicContact CD1-CZ 4.37Å; L43-F63 HydrophobicContact CD2-CB 4.47Å; L43-F63 HydrophobicContact CD2-CG 4.47Å; L43-E66 HydrophobicContact CB-CG 4.14Å; L43-E66 HydrophobicContact CD2-CB 4.15Å; L43-E66 HydrophobicContact CD2-CG 3.8Å; L43-I68 HydrophobicContact CD2-CD1 3.73Å; L43-I68 HydrophobicContact CD2-CG1 4.17Å; L43-I68 HydrophobicContact CD2-CG2 4.07Å
44Q92.7Very high89.9Confident85 Ų8596.8 Ų96.840%0.39749%0.494SS..Hα-helixtrans-66.8-41.8177.5-62.7-62.7-44.800110.7D42 A47 S48D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.44Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.12Å; D42-Q44 VanDerWaalsContact OD1-CB 3.31Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.3Å; D42-Q44 PolarHBondContact OD1-N 3.07Å; Q44-A47 PolarHBondContact O-N 3.09Å; Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.26Å
45F92.2Very high90Very high101 Ų10196 Ų9644%0.44349%0.492SS..Hα-helixtrans-59.5-46172.3171.9-93.2000111.7D42 S48D42-F45 HydrophobicContact CB-CB 3.8Å; D42-F45 WeakPolarHBondContact O-CB 3.32Å; D42-F45 PolarHBondContact O-N 3.01Å; D42-F45 PolarHBondContact OD1-N 2.59Å; D42-F45 WeakPolarHBondContact OD2-CB 3.39Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 2.97Å; F45-S48 PolarHBondContact O-OG 3.19Å
46L93.3Very high90.1Very high59 Ų59100.3 Ų100.331%0.30951%0.513SS..Hα-helixtrans-63.1-46.7178-68.5177.3000112L41 D42 L43 S48 R49 F63L41-L46 HydrophobicContact CB-CD1 4.09Å; L41-L46 HydrophobicContact CD1-CD1 4.36Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.17Å; L43-L46 PolarHBondContact O-N 3.4Å; L46-S48 PolarHBondContact O-N 3.25Å; L46-R49 VanDerWaalsContact O-CB 3.32Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 2.91Å; L46-F63 HydrophobicContact CD1-CE1 4.4Å; L46-F63 HydrophobicContact CD1-CZ 3.73Å
47A94Very high90.5Very high6 Ų698.2 Ų98.25%0.0550%0.495CS..Hα-helixtrans-60.1-32.3176.500000112.2L43 Q44 R49 M50 I58 M126L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.95Å; Q44-A47 PolarHBondContact O-N 3.09Å; A47-R49 PolarHBondContact O-N 2.87Å; A47-M50 WeakPolarHBondContact O-CB 3.43Å; A47-M50 PolarHBondContact O-N 2.87Å; A47-M50 VanDerWaalsContact O-N 3.09Å; A47-I58 HydrophobicContact CB-CD1 3.9Å; A47-M126 HydrophobicContact CB-CE 3.35Å; A47-M126 HydrophobicContact CB-SD 3.74Å
48S93.5Very high90.9Very high72 Ų7291.9 Ų91.950%0.50346%0.461SS..THydrogen-bonded Turntrans-64.3-17.617684.10000114.2Q44 F45 L46 M50Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.26Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 2.97Å; F45-S48 PolarHBondContact O-OG 3.19Å; L46-S48 PolarHBondContact O-N 3.25Å; S48-M50 VanDerWaalsContact C-N 3.26Å
49R94.2Very high91.7Very high173 Ų17393 Ų9365%0.65347%0.47SS*.THydrogen-bonded Turntrans-78.1-11.8175.8-55.6-65.7146-161-4.9112.9L46 A47L46-R49 VanDerWaalsContact O-CB 3.32Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 2.91Å; A47-R49 PolarHBondContact O-N 2.87Å
50M95.1Very high92.5Very high91 Ų9185.6 Ų85.645%0.44844%0.439SS..SBendtrans-88.6146.6179-60.4-167.2176.600112A47 S48 T52 L55 I58A47-M50 WeakPolarHBondContact O-CB 3.43Å; A47-M50 PolarHBondContact O-N 2.87Å; A47-M50 VanDerWaalsContact O-N 3.09Å; S48-M50 VanDerWaalsContact C-N 3.26Å; M50-T52 VanDerWaalsContact C-N 3.32Å; M50-T52 PolarHBondContact O-N 3.02Å; M50-L55 HydrophobicContact CB-CD1 3.65Å; M50-L55 HydrophobicContact CG-CD1 4.34Å; M50-L55 HydrophobicContact SD-CD1 3.87Å; M50-I58 HydrophobicContact CE-CG2 4.13Å; M50-I58 HydrophobicContact SD-CB 4.45Å; M50-I58 HydrophobicContact SD-CD1 3.85Å; M50-I58 HydrophobicContact SD-CG1 3.83Å; M50-I58 HydrophobicContact SD-CG2 3.87Å
51D94.4Very high92.8Very high74 Ų7487.6 Ų87.640%0.39645%0.449SS..  trans-77.185.3173.2-175.3-3000110.4S53 K54D51-S53 PolarHBondContact O-N 3.46Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 WeakPolarHBondContact OD1-CB 3.26Å; D51-S53 PolarHBondContact OD1-N 2.6Å; D51-S53 PolarHBondContact OD1-OG 3.33Å; D51-K54 PolarHBondContact O-N 2.97Å; D51-K54 VanDerWaalsContact OD2-CD 3.3Å; D51-K54 WeakPolarHBondContact OD2-CD 3.31Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 IonicContact OD2-NZ 2.75Å; D51-K54 PolarHBondContact OD2-NZ 3.38Å
52T91.6Very high92.9Very high60 Ų6086.6 Ų86.637%0.36846%0.455SS..THydrogen-bonded Turntrans-63.7-11.4-178.554.80000114.8M50 K54 P128M50-T52 VanDerWaalsContact C-N 3.32Å; M50-T52 PolarHBondContact O-N 3.02Å; T52-K54 PolarHBondContact O-N 3.24Å; T52-P128 HydrophobicContact CG2-CB 3.61Å; T52-P128 HydrophobicContact CG2-CG 3.58Å
53S94.8Very high92.8Very high102 Ų10285.7 Ų85.771%0.71345%0.447SS*.THydrogen-bonded Turntrans-72.8-14.8172.176.40000113.1D51D51-S53 PolarHBondContact O-N 3.46Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 WeakPolarHBondContact OD1-CB 3.26Å; D51-S53 PolarHBondContact OD1-N 2.6Å; D51-S53 PolarHBondContact OD1-OG 3.33Å
54K94.1Very high92.6Very high160 Ų16093.1 Ų93.170%0.69648%0.479SS*.SBendtrans-112.8-0.4-179.1-62.8179.4-176.3139.50113.7D51 T52D51-K54 PolarHBondContact O-N 2.97Å; D51-K54 VanDerWaalsContact OD2-CD 3.3Å; D51-K54 WeakPolarHBondContact OD2-CD 3.31Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 IonicContact OD2-NZ 2.75Å; D51-K54 PolarHBondContact OD2-NZ 3.38Å; T52-K54 PolarHBondContact O-N 3.24Å
55L94.9Very high92.4Very high62 Ų6297.2 Ų97.233%0.32550%0.498SS..  trans-118.1126.9-173.4-60.5177.6000110.4M50 I58M50-L55 HydrophobicContact CB-CD1 3.65Å; M50-L55 HydrophobicContact CG-CD1 4.34Å; M50-L55 HydrophobicContact SD-CD1 3.87Å; L55-I58 HydrophobicContact CD1-CG1 4.18Å
56D93.5Very high92.4Very high153 Ų15394.7 Ų94.782%0.81849%0.488SS*.SBendtrans-85.8-25.2167.6-63.2-63.7000111.9V125D56-V125 WeakPolarHBondContact O-CG1 3Å
57L91.4Very high92.3Very high66 Ų6698 Ų9835%0.34650%0.502SS..  trans-149.3143.7-175.9176.762.9000111.3L59 V125L57-L59 HydrophobicContact CD2-CD2 3.58Å; L57-L59 HydrophobicContact CD2-CG 4.17Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 4.36Å; L57-V125 HydrophobicContact CB-CG1 4.25Å; L57-V125 HydrophobicContact CD1-CB 3.94Å; L57-V125 HydrophobicContact CD1-CG1 3.7Å; L57-V125 HydrophobicContact CD1-CG2 4Å
58I93.2Very high92.4Very high20 Ų2099.5 Ų99.510%0.10351%0.508CS..  trans-110123.4165-60.2176000107.2A47 M50 L55 V60A47-I58 HydrophobicContact CB-CD1 3.9Å; M50-I58 HydrophobicContact CE-CG2 4.13Å; M50-I58 HydrophobicContact SD-CB 4.45Å; M50-I58 HydrophobicContact SD-CD1 3.85Å; M50-I58 HydrophobicContact SD-CG1 3.83Å; M50-I58 HydrophobicContact SD-CG2 3.87Å; L55-I58 HydrophobicContact CD1-CG1 4.18Å; I58-V60 HydrophobicContact CG2-CG2 4.08Å
59L93.5Very high92.4Very high149 Ų14998 Ų9878%0.7850%0.5SS*.  trans-93.2129.5172.3-65.8177.1000108.9L57L57-L59 HydrophobicContact CD2-CD2 3.58Å; L57-L59 HydrophobicContact CD2-CG 4.17Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 4.36Å
60V93.4Very high92.4Very high49 Ų4991.2 Ų91.230%0.29748%0.475SS..  trans-119.7122.7-178.9-175.90000108.1L43 I58 F63 I68L43-V60 HydrophobicContact CD1-CG1 3.86Å; L43-V60 HydrophobicContact CD1-CG2 3.93Å; L43-V60 HydrophobicContact CD2-CG1 4.24Å; L43-V60 HydrophobicContact CD2-CG2 4.32Å; I58-V60 HydrophobicContact CG2-CG2 4.08Å; V60-F63 HydrophobicContact CG1-CB 4.01Å; V60-F63 HydrophobicContact CG1-CD2 3.42Å; V60-F63 VanDerWaalsContact CG1-CD2 3.42Å; V60-F63 HydrophobicContact CG1-CE2 4.19Å; V60-F63 HydrophobicContact CG1-CG 3.97Å; V60-I68 HydrophobicContact CB-CD1 4.23Å; V60-I68 HydrophobicContact CG2-CD1 4.21Å
61E89.5Confident92.3Very high192 Ų19289.9 Ų89.990%0.89747%0.469SS*.  trans-100.9134.3170-173.1-179.4171.900108.7
62G87.8Confident92.3Very high50 Ų5087.7 Ų87.752%0.51546%0.459SS..SBendtrans88.9-143.8-173.100000112.1K64G62-K64 PolarHBondContact O-N 3.29Å; G62-K64 VanDerWaalsContact O-N 3.13Å
63F89.9Confident92.4Very high67 Ų6790.7 Ų90.729%0.29447%0.472SS..  trans49.542178.2-67.2-89.8000113.7L41 L43 L46 V60 H65 E66L41-F63 HydrophobicContact CB-CE1 4.06Å; L41-F63 HydrophobicContact CB-CZ 4.15Å; L41-F63 HydrophobicContact CD1-CZ 4.42Å; L43-F63 HydrophobicContact CB-CD1 4.03Å; L43-F63 HydrophobicContact CB-CE1 4.12Å; L43-F63 HydrophobicContact CD1-CD1 4.36Å; L43-F63 HydrophobicContact CD1-CD2 4.37Å; L43-F63 HydrophobicContact CD1-CE1 4.36Å; L43-F63 HydrophobicContact CD1-CE2 4.37Å; L43-F63 HydrophobicContact CD1-CG 4.37Å; L43-F63 HydrophobicContact CD1-CZ 4.37Å; L43-F63 HydrophobicContact CD2-CB 4.47Å; L43-F63 HydrophobicContact CD2-CG 4.47Å; L46-F63 HydrophobicContact CD1-CE1 4.4Å; L46-F63 HydrophobicContact CD1-CZ 3.73Å; V60-F63 HydrophobicContact CG1-CB 4.01Å; V60-F63 HydrophobicContact CG1-CD2 3.42Å; V60-F63 VanDerWaalsContact CG1-CD2 3.42Å; V60-F63 HydrophobicContact CG1-CE2 4.19Å; V60-F63 HydrophobicContact CG1-CG 3.97Å; F63-H65 PolarHBondContact O-N 3.12Å; F63-E66 HydrophobicContact CB-CB 4.25Å; F63-E66 HydrophobicContact CB-CG 3.69Å; F63-E66 HydrophobicContact CD1-CG 3.89Å; F63-E66 HydrophobicContact CG-CG 4.24Å; F63-E66 WeakPolarHBondContact O-CB 3.48Å; F63-E66 PolarHBondContact O-N 3.13Å
64K87.3Confident92.4Very high165 Ų16586 Ų8672%0.71744%0.439SS*.THydrogen-bonded Turntrans-57-26.4-170.4-65.2-176.1-179.6-177.70113.8G62 K70G62-K64 PolarHBondContact O-N 3.29Å; G62-K64 VanDerWaalsContact O-N 3.13Å; K64-K70 PolarHBondContact O-NZ 3.3Å
65H88.6Confident92.4Very high171 Ų17183.4 Ų83.479%0.79242%0.424SS*.THydrogen-bonded Turntrans-92.7-10.1-177.5-58.5-59.8000114.1F63F63-H65 PolarHBondContact O-N 3.12Å
66E91.5Very high92.4Very high47 Ų4785.3 Ų85.322%0.2244%0.435CS..SBendtrans-62.5145.7-178.3-78.1-67.6159.800112.3L43 F63 I68 K70L43-E66 HydrophobicContact CB-CG 4.14Å; L43-E66 HydrophobicContact CD2-CB 4.15Å; L43-E66 HydrophobicContact CD2-CG 3.8Å; F63-E66 HydrophobicContact CB-CB 4.25Å; F63-E66 HydrophobicContact CB-CG 3.69Å; F63-E66 HydrophobicContact CD1-CG 3.89Å; F63-E66 HydrophobicContact CG-CG 4.24Å; F63-E66 WeakPolarHBondContact O-CB 3.48Å; F63-E66 PolarHBondContact O-N 3.13Å; E66-I68 HydrophobicContact CB-CG1 3.96Å; E66-I68 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact O-CE 3.31Å; E66-K70 PolarHBondContact O-NZ 3.43Å
67E93.2Very high92.4Very high130 Ų13081.5 Ų81.561%0.60743%0.432SS*.SBendtrans-83.834.2177.8-58.6-155.9137.800112.4R89 H90E67-R89 IonicContact OE1-CZ 3.82Å; E67-R89 IonicContact OE1-NH2 2.82Å; E67-R89 PolarHBondContact OE1-NH2 3.2Å; E67-R89 IonicContact OE2-NH2 2.72Å; E67-H90 IonicContact OE1-CE1 3.81Å
68I94.1Very high92.4Very high37 Ų3781.3 Ų81.319%0.1944%0.44CS..SBendtrans-96.2157.1169.363.2156.9000109L43 V60 E66 K70 H90L43-I68 HydrophobicContact CD2-CD1 3.73Å; L43-I68 HydrophobicContact CD2-CG1 4.17Å; L43-I68 HydrophobicContact CD2-CG2 4.07Å; V60-I68 HydrophobicContact CB-CD1 4.23Å; V60-I68 HydrophobicContact CG2-CD1 4.21Å; E66-I68 HydrophobicContact CB-CG1 3.96Å; E66-I68 PolarHBondContact O-N 2.88Å; I68-K70 VanDerWaalsContact O-CE 3.24Å; I68-K70 WeakPolarHBondContact O-CE 3.42Å; I68-K70 WeakPolarHBondContact O-CG 3.42Å; I68-H90 WeakPolarHBondContact O-CB 3.33Å
69A94.4Very high92.3Very high40 Ų4083.7 Ų83.733%0.33147%0.469SS..  trans-79.9141.3-176.200000111.3H90 I92 P124A69-H90 CarbonylContact C-O 3.49Å; A69-H90 WeakPolarHBondContact CA-O 3.01Å; A69-I92 HydrophobicContact CB-CG2 4Å; A69-P124 VanDerWaalsContact C-CG 3.42Å; A69-P124 HydrophobicContact CB-CB 3.12Å; A69-P124 HydrophobicContact CB-CG 3.08Å
70K94.3Very high92Very high30 Ų3082.4 Ų82.413%0.1346%0.459CS..EExtended strand (participates in β ladder)trans-128.7149.2-158.3-46177.8-174.2164.40111.7K64 E66 I68 D88 H90 V91 I92K64-K70 PolarHBondContact O-NZ 3.3Å; E66-K70 WeakPolarHBondContact O-CE 3.31Å; E66-K70 PolarHBondContact O-NZ 3.43Å; I68-K70 VanDerWaalsContact O-CE 3.24Å; I68-K70 WeakPolarHBondContact O-CE 3.42Å; I68-K70 WeakPolarHBondContact O-CG 3.42Å; K70-D88 IonicContact NZ-OD1 2.88Å; K70-D88 IonicContact NZ-OD2 3.58Å; K70-D88 PolarHBondContact NZ-OD2 3.01Å; K70-H90 HydrophobicContact CG-CB 4.5Å; K70-H90 PolarHBondContact N-O 3.31Å; K70-V91 HydrophobicContact CB-CG2 4.22Å; K70-V91 HydrophobicContact CD-CG2 4.4Å; K70-I92 PolarHBondContact O-N 3.19Å
71I93.7Very high91.9Very high63 Ų6387.4 Ų87.432%0.32347%0.472SS..EExtended strand (participates in β ladder)trans-110.3119160-59.2-179.7000106.8L73 A93 A95 L107 T123I71-L73 HydrophobicContact CG2-CD2 4.13Å; I71-A93 WeakPolarHBondContact CA-O 3.36Å; I71-A93 HydrophobicContact CG1-CB 4.38Å; I71-A95 HydrophobicContact CG2-CB 3.94Å; I71-L107 HydrophobicContact CD1-CD1 4.39Å; I71-T123 HydrophobicContact CD1-CG2 3.86Å
72V93.5Very high91.9Very high29 Ų2980.7 Ų80.718%0.17645%0.446CS..EExtended strand (participates in β ladder)trans-83.9133.8173.4173.70000108.4L85 V91 A93 V94 A95V72-L85 HydrophobicContact CG1-CD2 3.82Å; V72-V91 HydrophobicContact CB-CG1 4.4Å; V72-V91 HydrophobicContact CG2-CB 4.41Å; V72-V91 HydrophobicContact CG2-CG1 3.77Å; V72-V91 HydrophobicContact CG2-CG2 3.68Å; V72-A93 PolarHBondContact N-O 3.11Å; V72-A93 VanDerWaalsContact N-O 3.08Å; V72-V94 HydrophobicContact CB-CG2 4.17Å; V72-V94 CarbonylContact O-C 3.56Å; V72-V94 VanDerWaalsContact O-CA 3.28Å; V72-V94 WeakPolarHBondContact O-CA 3.41Å; V72-A95 PolarHBondContact O-N 3.24Å
73L93.8Very high92Very high122 Ų12285.3 Ų85.364%0.63945%0.454SS*.EExtended strand (participates in β ladder)trans-98.7126.8176.7-52.9-176.3000109.1I71 A95 I109I71-L73 HydrophobicContact CG2-CD2 4.13Å; L73-A95 WeakPolarHBondContact CA-O 3.44Å; L73-A95 HydrophobicContact CD2-CB 3.78Å; L73-I109 HydrophobicContact CB-CD1 4.31Å; L73-I109 HydrophobicContact CD2-CD1 4.42Å
74F94.4Very high92Very high4 Ų486.1 Ų86.12%0.01846%0.459CS..EExtended strand (participates in β ladder)trans-127.4123.1173.5-177.1-104.9000110.7H80 P82 L85 V94 A95 S96 V98 L100F74-H80 HydrophobicContact CE2-CB 4.4Å; F74-H80 WeakPolarHBondContact CE2-O 3.33Å; F74-P82 HydrophobicContact CE1-CG 3.81Å; F74-P82 HydrophobicContact CE2-CG 4.37Å; F74-P82 HydrophobicContact CZ-CB 4.3Å; F74-P82 HydrophobicContact CZ-CG 3.56Å; F74-L85 HydrophobicContact CB-CD1 3.92Å; F74-L85 HydrophobicContact CB-CD2 4.04Å; F74-L85 HydrophobicContact CD2-CD1 3.97Å; F74-L85 HydrophobicContact CD2-CD2 3.7Å; F74-L85 HydrophobicContact CD2-CG 3.99Å; F74-L85 HydrophobicContact CG-CD1 3.87Å; F74-L85 HydrophobicContact CG-CD2 4.18Å; F74-L85 HydrophobicContact CG-CG 4.39Å; F74-V94 HydrophobicContact CB-CG1 4.3Å; F74-A95 PolarHBondContact N-O 2.82Å; F74-S96 WeakPolarHBondContact CD1-OG 3.24Å; F74-S96 WeakPolarHBondContact O-CA 3.1Å; F74-S96 WeakPolarHBondContact O-CB 3.49Å; F74-S96 PolarHBondContact O-OG 3.07Å; F74-V98 HydrophobicContact CD1-CG2 3.87Å; F74-V98 HydrophobicContact CE1-CG2 3.59Å; F74-L100 HydrophobicContact CB-CD1 4.18Å; F74-L100 HydrophobicContact CD1-CD1 3.88Å; F74-L100 HydrophobicContact CD1-CD2 4.13Å; F74-L100 HydrophobicContact CD1-CG 4.44Å; F74-L100 HydrophobicContact CE1-CD2 4.23Å; F74-L100 HydrophobicContact CG-CD1 4.23Å
75R94.9Very high92.1Very high105 Ų10580 Ų8040%0.39643%0.433SS..  trans-121.1125.2173.9-174.6170.5-67.5-80.38.3109.5A78 D97 N110R75-A78 HydrophobicContact CB-CB 4Å; R75-A78 VanDerWaalsContact O-CB 3.26Å; R75-A78 WeakPolarHBondContact O-CB 3.4Å; R75-A78 PolarHBondContact O-N 3.13Å; R75-D97 VanDerWaalsContact CA-OD1 3.31Å; R75-D97 WeakPolarHBondContact CA-OD1 3.28Å; R75-D97 VanDerWaalsContact CG-OD2 3.26Å; R75-D97 WeakPolarHBondContact CG-OD2 2.83Å; R75-D97 IonicContact CZ-OD2 2.76Å; R75-D97 IonicContact NH1-OD2 3.85Å; R75-D97 PolarHBondContact NH1-OD2 2.93Å; R75-N110 PolarHBondContact NH2-OD1 3.08Å; R75-N110 VanDerWaalsContact NH2-OD1 3.12Å
76D94.6Very high92.1Very high103 Ų10377.3 Ų77.355%0.55143%0.429SS*.THydrogen-bonded Turntrans-62.3141175.3-171.838.2000110.6A78 D97 V98D76-A78 VanDerWaalsContact C-N 3.26Å; D76-A78 PolarHBondContact O-N 3.21Å; D76-D97 PolarHBondContact N-OD1 3.15Å; D76-V98 HydrophobicContact CB-CG1 3.6Å; D76-V98 HydrophobicContact CB-CG2 4.25Å
77G93.1Very high92.1Very high72 Ų7278.1 Ų78.174%0.74243%0.434SS*.THydrogen-bonded Turntrans74.71.3-174.500000116.2G79G77-G79 PolarHBondContact O-N 3.09Å
78A92Very high92.2Very high63 Ų6374.4 Ų74.452%0.52142%0.418SS..SBendtrans-8011.117600000114.5R75 D76R75-A78 HydrophobicContact CB-CB 4Å; R75-A78 VanDerWaalsContact O-CB 3.26Å; R75-A78 WeakPolarHBondContact O-CB 3.4Å; R75-A78 PolarHBondContact O-N 3.13Å; D76-A78 VanDerWaalsContact C-N 3.26Å; D76-A78 PolarHBondContact O-N 3.21Å
79G90Very high92.2Very high70 Ų7081.8 Ų81.872%0.72244%0.444SS*.SBendtrans902.417700000115.4G77G77-G79 PolarHBondContact O-N 3.09Å
80H88.6Confident92.2Very high122 Ų12281.6 Ų81.657%0.56544%0.436SS*.  trans-116145172.9-64.3-60.1000110.1F74 E84F74-H80 HydrophobicContact CE2-CB 4.4Å; F74-H80 WeakPolarHBondContact CE2-O 3.33Å; H80-E84 IonicContact ND1-OE2 3.86Å
81R90.7Very high92.3Very high153 Ų15380.5 Ų80.558%0.57743%0.432SS*.  trans-94.2151.3174-61.6179-69.8164.14.2111E83 E84R81-E83 VanDerWaalsContact CB-OE2 3.23Å; R81-E83 WeakPolarHBondContact CB-OE2 3.36Å; R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.11Å; R81-E84 HydrophobicContact CB-CG 4.32Å; R81-E84 IonicContact CZ-OE1 3.74Å; R81-E84 VanDerWaalsContact CZ-OE1 3.28Å; R81-E84 PolarHBondContact N-OE2 2.89Å; R81-E84 IonicContact NE-OE1 3.54Å; R81-E84 PolarHBondContact NE-OE1 3.32Å; R81-E84 IonicContact NH2-OE1 3.17Å; R81-E84 PolarHBondContact NH2-OE1 2.83Å; R81-E84 WeakPolarHBondContact O-CB 3.17Å; R81-E84 PolarHBondContact O-N 3.17Å
82P89.1Confident92.3Very high51 Ų5180.3 Ų80.333%0.33143%0.431SS..G310 helixtrans-52.4-34.2177.3-28.136.2000113.9F74 E84 L85 L100F74-P82 HydrophobicContact CE1-CG 3.81Å; F74-P82 HydrophobicContact CE2-CG 4.37Å; F74-P82 HydrophobicContact CZ-CB 4.3Å; F74-P82 HydrophobicContact CZ-CG 3.56Å; P82-E84 PolarHBondContact O-N 2.83Å; P82-L85 WeakPolarHBondContact O-CB 3.48Å; P82-L85 WeakPolarHBondContact O-CG 3.33Å; P82-L85 PolarHBondContact O-N 2.99Å; P82-L100 HydrophobicContact CB-CD2 3.81Å; P82-L100 HydrophobicContact CG-CD2 4.07Å
83E89.6Confident92.4Very high147 Ų14779.1 Ų79.169%0.68742%0.424SS*.G310 helixtrans-71.7-12.6-179.1-52.676.7-157.600113.3R81R81-E83 VanDerWaalsContact CB-OE2 3.23Å; R81-E83 WeakPolarHBondContact CB-OE2 3.36Å; R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.11Å
84E89.5Confident92.5Very high85 Ų8573.3 Ų73.340%0.39739%0.393SS..G310 helixtrans-91-4.2178.2-62.6167.3-17300112.1H80 R81 P82 V86H80-E84 IonicContact ND1-OE2 3.86Å; R81-E84 HydrophobicContact CB-CG 4.32Å; R81-E84 IonicContact CZ-OE1 3.74Å; R81-E84 VanDerWaalsContact CZ-OE1 3.28Å; R81-E84 PolarHBondContact N-OE2 2.89Å; R81-E84 IonicContact NE-OE1 3.54Å; R81-E84 PolarHBondContact NE-OE1 3.32Å; R81-E84 IonicContact NH2-OE1 3.17Å; R81-E84 PolarHBondContact NH2-OE1 2.83Å; R81-E84 WeakPolarHBondContact O-CB 3.17Å; R81-E84 PolarHBondContact O-N 3.17Å; P82-E84 PolarHBondContact O-N 2.83Å; E84-V86 PolarHBondContact O-N 2.82Å
85L89.7Confident92.5Very high35 Ų3573.5 Ų73.518%0.18340%0.396CS..  trans-66.3119177.8-69.7179.1000111.1V72 F74 P82 I87 V94 L100V72-L85 HydrophobicContact CG1-CD2 3.82Å; F74-L85 HydrophobicContact CB-CD1 3.92Å; F74-L85 HydrophobicContact CB-CD2 4.04Å; F74-L85 HydrophobicContact CD2-CD1 3.97Å; F74-L85 HydrophobicContact CD2-CD2 3.7Å; F74-L85 HydrophobicContact CD2-CG 3.99Å; F74-L85 HydrophobicContact CG-CD1 3.87Å; F74-L85 HydrophobicContact CG-CD2 4.18Å; F74-L85 HydrophobicContact CG-CG 4.39Å; P82-L85 WeakPolarHBondContact O-CB 3.48Å; P82-L85 WeakPolarHBondContact O-CG 3.33Å; P82-L85 PolarHBondContact O-N 2.99Å; L85-I87 PolarHBondContact O-N 3.02Å; L85-V94 HydrophobicContact CD1-CG1 4.49Å; L85-L100 HydrophobicContact CD1-CD1 3.75Å
86V89.4Confident92.6Very high115 Ų11568.8 Ų68.870%0.69738%0.379SS*.  trans-87.7107.8172.9-177.90000108.9E84E84-V86 PolarHBondContact O-N 2.82Å
87I92.1Very high92.6Very high65 Ų6566.5 Ų66.533%0.33337%0.367SS..  trans-107.692.9176.3-57178.7000108L85 V91 V94 L102 V104L85-I87 PolarHBondContact O-N 3.02Å; I87-V91 HydrophobicContact CG2-CB 3.91Å; I87-V91 HydrophobicContact CG2-CG1 3.98Å; I87-V94 HydrophobicContact CD1-CG2 4.02Å; I87-V94 HydrophobicContact CG1-CG2 4.43Å; I87-L102 HydrophobicContact CD1-CB 4.5Å; I87-L102 HydrophobicContact CD1-CD1 4.03Å; I87-L102 HydrophobicContact CD1-CD2 3.48Å; I87-L102 VanDerWaalsContact CD1-CD2 3.48Å; I87-L102 HydrophobicContact CD1-CG 4.21Å; I87-V104 HydrophobicContact CD1-CG2 4.44Å; I87-V104 HydrophobicContact CG2-CG1 4.12Å; I87-V104 HydrophobicContact CG2-CG2 4.2Å
88D93.5Very high92.7Very high51 Ų5165 Ų6527%0.27334%0.343SS..  trans-84.7173.2174.975.549.4000112K70 H90 V91K70-D88 IonicContact NZ-OD1 2.88Å; K70-D88 IonicContact NZ-OD2 3.58Å; K70-D88 PolarHBondContact NZ-OD2 3.01Å; D88-H90 PolarHBondContact O-N 2.96Å; D88-H90 WeakPolarHBondContact OD1-CA 3.38Å; D88-H90 VanDerWaalsContact OD1-CB 3.25Å; D88-H90 WeakPolarHBondContact OD1-CB 3.23Å; D88-H90 IonicContact OD1-CG 2.85Å; D88-H90 PolarHBondContact OD1-N 3Å; D88-H90 IonicContact OD1-ND1 3.28Å; D88-H90 PolarHBondContact OD1-ND1 3.23Å; D88-H90 VanDerWaalsContact OD1-ND1 3.17Å; D88-V91 WeakPolarHBondContact O-CB 3.49Å; D88-V91 PolarHBondContact O-N 2.77Å; D88-V91 PolarHBondContact OD1-N 3.22Å
89R94.9Very high92.8Very high193 Ų19367.8 Ų67.873%0.72836%0.356SS*.THydrogen-bonded Turntrans-59.6-16.5-177.669.5177.7-179.6177.4-5.5115.3E67E67-R89 IonicContact OE1-CZ 3.82Å; E67-R89 IonicContact OE1-NH2 2.82Å; E67-R89 PolarHBondContact OE1-NH2 3.2Å; E67-R89 IonicContact OE2-NH2 2.72Å
90H95.4Very high93Very high36 Ų3665.8 Ų65.817%0.16733%0.328CS..THydrogen-bonded Turntrans-96.5-11.9179-43.9101.8000112E67 I68 A69 K70 D88 I92E67-H90 IonicContact OE1-CE1 3.81Å; I68-H90 WeakPolarHBondContact O-CB 3.33Å; A69-H90 CarbonylContact C-O 3.49Å; A69-H90 WeakPolarHBondContact CA-O 3.01Å; K70-H90 HydrophobicContact CG-CB 4.5Å; K70-H90 PolarHBondContact N-O 3.31Å; D88-H90 PolarHBondContact O-N 2.96Å; D88-H90 WeakPolarHBondContact OD1-CA 3.38Å; D88-H90 VanDerWaalsContact OD1-CB 3.25Å; D88-H90 WeakPolarHBondContact OD1-CB 3.23Å; D88-H90 IonicContact OD1-CG 2.85Å; D88-H90 PolarHBondContact OD1-N 3Å; D88-H90 IonicContact OD1-ND1 3.28Å; D88-H90 PolarHBondContact OD1-ND1 3.23Å; D88-H90 VanDerWaalsContact OD1-ND1 3.17Å; H90-I92 PolarHBondContact O-N 2.95Å
91V95.1Very high93.2Very high7 Ų768 Ų684%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-69.8115.2171.9179.90000108.5K70 V72 I87 D88 A93 V94 V104K70-V91 HydrophobicContact CB-CG2 4.22Å; K70-V91 HydrophobicContact CD-CG2 4.4Å; V72-V91 HydrophobicContact CB-CG1 4.4Å; V72-V91 HydrophobicContact CG2-CB 4.41Å; V72-V91 HydrophobicContact CG2-CG1 3.77Å; V72-V91 HydrophobicContact CG2-CG2 3.68Å; I87-V91 HydrophobicContact CG2-CB 3.91Å; I87-V91 HydrophobicContact CG2-CG1 3.98Å; D88-V91 WeakPolarHBondContact O-CB 3.49Å; D88-V91 PolarHBondContact O-N 2.77Å; D88-V91 PolarHBondContact OD1-N 3.22Å; V91-A93 WeakPolarHBondContact CG1-O 3.39Å; V91-V94 HydrophobicContact CG1-CG2 4.38Å; V91-V104 HydrophobicContact CG1-CG2 4.48Å; V91-V104 WeakPolarHBondContact O-CG1 3.48Å
92I95.2Very high93.3Very high59 Ų5963 Ų6330%0.30333%0.329SS..EExtended strand (participates in β ladder)trans-97.4-19.2179.872.7149.1000112.8A69 K70 H90 R122 P124A69-I92 HydrophobicContact CB-CG2 4Å; K70-I92 PolarHBondContact O-N 3.19Å; H90-I92 PolarHBondContact O-N 2.95Å; I92-R122 WeakPolarHBondContact CD1-O 3.34Å; I92-P124 HydrophobicContact CB-CG 4.44Å; I92-P124 HydrophobicContact CD1-CB 3.91Å; I92-P124 HydrophobicContact CD1-CG 3.51Å; I92-P124 HydrophobicContact CG1-CB 4.4Å; I92-P124 HydrophobicContact CG1-CG 3.64Å; I92-P124 HydrophobicContact CG2-CB 4.17Å; I92-P124 HydrophobicContact CG2-CG 3.97Å
93A95.5Very high93.4Very high3 Ų369 Ų693%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-158.6155.8-177.500000110.8I71 V72 V91 A105 L107I71-A93 WeakPolarHBondContact CA-O 3.36Å; I71-A93 HydrophobicContact CG1-CB 4.38Å; V72-A93 PolarHBondContact N-O 3.11Å; V72-A93 VanDerWaalsContact N-O 3.08Å; V91-A93 WeakPolarHBondContact CG1-O 3.39Å; A93-A105 CarbonylContact C-O 3.47Å; A93-A105 WeakPolarHBondContact CA-O 3.16Å; A93-A105 HydrophobicContact CB-CB 4.11Å; A93-A105 WeakPolarHBondContact CB-O 3.41Å; A93-L107 HydrophobicContact CB-CD1 3.94Å; A93-L107 HydrophobicContact CB-CG 4.14Å
94V95.2Very high93.7Very high0 Ų063.9 Ų63.90%034%0.337CS..EExtended strand (participates in β ladder)trans-116.1128166.1-179.70000107.8V72 F74 L85 I87 V91 L100 L102 V104 A105 L106 L107V72-V94 HydrophobicContact CB-CG2 4.17Å; V72-V94 CarbonylContact O-C 3.56Å; V72-V94 VanDerWaalsContact O-CA 3.28Å; V72-V94 WeakPolarHBondContact O-CA 3.41Å; F74-V94 HydrophobicContact CB-CG1 4.3Å; L85-V94 HydrophobicContact CD1-CG1 4.49Å; I87-V94 HydrophobicContact CD1-CG2 4.02Å; I87-V94 HydrophobicContact CG1-CG2 4.43Å; V91-V94 HydrophobicContact CG1-CG2 4.38Å; V94-L100 HydrophobicContact CG1-CD1 3.92Å; V94-L102 HydrophobicContact CB-CD1 3.54Å; V94-L102 HydrophobicContact CG1-CD1 4Å; V94-L102 HydrophobicContact CG2-CD1 3.4Å; V94-V104 HydrophobicContact CG2-CG2 3.87Å; V94-A105 PolarHBondContact N-O 2.85Å; V94-L106 HydrophobicContact CB-CD1 4.35Å; V94-L106 HydrophobicContact CG1-CD1 4.44Å; V94-L106 CarbonylContact O-C 3.58Å; V94-L106 WeakPolarHBondContact O-CA 3.35Å; V94-L107 PolarHBondContact O-N 3.23Å
95A95.3Very high93.9Very high9 Ų962.3 Ų62.37%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-95.5121.4169.100000108.9I71 V72 L73 F74 L107 I109I71-A95 HydrophobicContact CG2-CB 3.94Å; V72-A95 PolarHBondContact O-N 3.24Å; L73-A95 WeakPolarHBondContact CA-O 3.44Å; L73-A95 HydrophobicContact CD2-CB 3.78Å; F74-A95 PolarHBondContact N-O 2.82Å; A95-L107 CarbonylContact C-O 3.5Å; A95-L107 WeakPolarHBondContact CA-O 3.11Å; A95-L107 HydrophobicContact CB-CB 4.23Å; A95-I109 HydrophobicContact CB-CB 4.15Å; A95-I109 HydrophobicContact CB-CG1 4.18Å
96S95.5Very high94.2Very high5 Ų564.1 Ų64.14%0.03535%0.348CS..EExtended strand (participates in β ladder)trans-140.5155.6-177.4-167.70000114.3F74 V98 L107 D108 I109F74-S96 WeakPolarHBondContact CD1-OG 3.24Å; F74-S96 WeakPolarHBondContact O-CA 3.1Å; F74-S96 WeakPolarHBondContact O-CB 3.49Å; F74-S96 PolarHBondContact O-OG 3.07Å; S96-V98 WeakPolarHBondContact CB-O 3.22Å; S96-V98 PolarHBondContact OG-N 2.99Å; S96-V98 PolarHBondContact OG-O 3.08Å; S96-L107 PolarHBondContact N-O 3.38Å; S96-D108 WeakPolarHBondContact O-CA 3.37Å; S96-I109 VanDerWaalsContact C-CG2 3.5Å; S96-I109 PolarHBondContact O-N 2.81Å
97D95.1Very high94.5Very high56 Ų5660 Ų6030%0.29932%0.322SS..SBendtrans-94.60.6169.364.2-15.9000113.7R75 D76 I109R75-D97 VanDerWaalsContact CA-OD1 3.31Å; R75-D97 WeakPolarHBondContact CA-OD1 3.28Å; R75-D97 VanDerWaalsContact CG-OD2 3.26Å; R75-D97 WeakPolarHBondContact CG-OD2 2.83Å; R75-D97 IonicContact CZ-OD2 2.76Å; R75-D97 IonicContact NH1-OD2 3.85Å; R75-D97 PolarHBondContact NH1-OD2 2.93Å; D76-D97 PolarHBondContact N-OD1 3.15Å; D97-I109 HydrophobicContact CB-CG2 3.7Å
98V94.9Very high94.6Very high40 Ų4061.1 Ų61.124%0.24233%0.328CS..SBendtrans-128152.7173.5-64.70000110.9F74 D76 S96 L100F74-V98 HydrophobicContact CD1-CG2 3.87Å; F74-V98 HydrophobicContact CE1-CG2 3.59Å; D76-V98 HydrophobicContact CB-CG1 3.6Å; D76-V98 HydrophobicContact CB-CG2 4.25Å; S96-V98 WeakPolarHBondContact CB-O 3.22Å; S96-V98 PolarHBondContact OG-N 2.99Å; S96-V98 PolarHBondContact OG-O 3.08Å; V98-L100 HydrophobicContact CG2-CD2 4.11Å; V98-L100 HydrophobicContact CG2-CG 4.48Å; V98-L100 PolarHBondContact O-N 3.25Å
99P94.5Very high94.6Very high121 Ų12160.7 Ų60.779%0.78633%0.326SS*.  trans-64.4133.817326.9-34.2000110.6
100L94.5Very high94.4Very high28 Ų2855.4 Ų55.415%0.14731%0.312CS..  trans-127.7139.5176.4-60.9176.5000109.4F74 P82 L85 V94 V98 L102 L106F74-L100 HydrophobicContact CB-CD1 4.18Å; F74-L100 HydrophobicContact CD1-CD1 3.88Å; F74-L100 HydrophobicContact CD1-CD2 4.13Å; F74-L100 HydrophobicContact CD1-CG 4.44Å; F74-L100 HydrophobicContact CE1-CD2 4.23Å; F74-L100 HydrophobicContact CG-CD1 4.23Å; P82-L100 HydrophobicContact CB-CD2 3.81Å; P82-L100 HydrophobicContact CG-CD2 4.07Å; L85-L100 HydrophobicContact CD1-CD1 3.75Å; V94-L100 HydrophobicContact CG1-CD1 3.92Å; V98-L100 HydrophobicContact CG2-CD2 4.11Å; V98-L100 HydrophobicContact CG2-CG 4.48Å; V98-L100 PolarHBondContact O-N 3.25Å; L100-L102 HydrophobicContact CB-CD1 3.78Å; L100-L102 HydrophobicContact CB-CD2 4.2Å; L100-L102 HydrophobicContact CB-CG 3.69Å; L100-L102 HydrophobicContact CD1-CD1 4Å; L100-L102 PolarHBondContact O-N 3.08Å; L100-L106 HydrophobicContact CB-CD1 4.2Å; L100-L106 HydrophobicContact CB-CD2 4.4Å; L100-L106 HydrophobicContact CD1-CD1 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.43Å
101N93.3Very high93.9Very high169 Ų16956.4 Ų56.490%0.90432%0.319SS*.  trans-89.594.8175.7-174.439.9000109.8
102L92.2Very high92.8Very high48 Ų4862.1 Ų62.125%0.25135%0.348SS..  trans-130.3153.2-171.5-53.7177.9000111.5I87 V94 L100 V104 L106I87-L102 HydrophobicContact CD1-CB 4.5Å; I87-L102 HydrophobicContact CD1-CD1 4.03Å; I87-L102 HydrophobicContact CD1-CD2 3.48Å; I87-L102 VanDerWaalsContact CD1-CD2 3.48Å; I87-L102 HydrophobicContact CD1-CG 4.21Å; V94-L102 HydrophobicContact CB-CD1 3.54Å; V94-L102 HydrophobicContact CG1-CD1 4Å; V94-L102 HydrophobicContact CG2-CD1 3.4Å; L100-L102 HydrophobicContact CB-CD1 3.78Å; L100-L102 HydrophobicContact CB-CD2 4.2Å; L100-L102 HydrophobicContact CB-CG 3.69Å; L100-L102 HydrophobicContact CD1-CD1 4Å; L100-L102 PolarHBondContact O-N 3.08Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG2 4.22Å; L102-V104 HydrophobicContact CD1-CG2 4.43Å; L102-V104 PolarHBondContact O-N 3.32Å; L102-L106 HydrophobicContact CD1-CD1 4.38Å
103D92.1Very high90.5Very high178 Ų17864.4 Ų64.495%0.95237%0.367SS*.SBendtrans-82.5-3.6175.5-64.2-40.2000113.7
104V94Very high88.5Confident38 Ų3868 Ų6823%0.2340%0.404CS..SBendtrans-111.8163.9178.9-62.90000110.6I87 V91 V94 L102 L106I87-V104 HydrophobicContact CD1-CG2 4.44Å; I87-V104 HydrophobicContact CG2-CG1 4.12Å; I87-V104 HydrophobicContact CG2-CG2 4.2Å; V91-V104 HydrophobicContact CG1-CG2 4.48Å; V91-V104 WeakPolarHBondContact O-CG1 3.48Å; V94-V104 HydrophobicContact CG2-CG2 3.87Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG2 4.22Å; L102-V104 HydrophobicContact CD1-CG2 4.43Å; L102-V104 PolarHBondContact O-N 3.32Å; V104-L106 PolarHBondContact O-N 3.03Å
105A95.1Very high86.2Confident53 Ų5372.1 Ų72.144%0.43843%0.433SS..EExtended strand (participates in β ladder)trans-58.7129.7-179.700000111.4A93 V94A93-A105 CarbonylContact C-O 3.47Å; A93-A105 WeakPolarHBondContact CA-O 3.16Å; A93-A105 HydrophobicContact CB-CB 4.11Å; A93-A105 WeakPolarHBondContact CB-O 3.41Å; V94-A105 PolarHBondContact N-O 2.85Å
106L96Very high83.5Confident72 Ų7276.1 Ų76.138%0.37747%0.466SS..EExtended strand (participates in β ladder)trans-97.4123.4172.4-175.665.1000109.3V94 L100 L102 V104V94-L106 HydrophobicContact CB-CD1 4.35Å; V94-L106 HydrophobicContact CG1-CD1 4.44Å; V94-L106 CarbonylContact O-C 3.58Å; V94-L106 WeakPolarHBondContact O-CA 3.35Å; L100-L106 HydrophobicContact CB-CD1 4.2Å; L100-L106 HydrophobicContact CB-CD2 4.4Å; L100-L106 HydrophobicContact CD1-CD1 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.43Å; L102-L106 HydrophobicContact CD1-CD1 4.38Å; V104-L106 PolarHBondContact O-N 3.03Å
107L95.4Very high80.6Confident29 Ų2983.7 Ų83.715%0.15251%0.505CS..EExtended strand (participates in β ladder)trans-108.9142.8177.9-48.2179.2000109.1I71 A93 V94 A95 S96 I109 T121I71-L107 HydrophobicContact CD1-CD1 4.39Å; A93-L107 HydrophobicContact CB-CD1 3.94Å; A93-L107 HydrophobicContact CB-CG 4.14Å; V94-L107 PolarHBondContact O-N 3.23Å; A95-L107 CarbonylContact C-O 3.5Å; A95-L107 WeakPolarHBondContact CA-O 3.11Å; A95-L107 HydrophobicContact CB-CB 4.23Å; S96-L107 PolarHBondContact N-O 3.38Å; L107-I109 PolarHBondContact O-N 2.81Å; L107-T121 HydrophobicContact CD1-CG2 3.76Å; L107-T121 HydrophobicContact CD2-CG2 3.24Å; L107-T121 HydrophobicContact CG-CG2 4.14Å
108D94.5Very high77.5Confident88 Ų8884 Ų8447%0.47152%0.521SS..EExtended strand (participates in β ladder)trans-71.8119166.5179.3-2.7000108.6S96 N110 D111S96-D108 WeakPolarHBondContact O-CA 3.37Å; D108-N110 PolarHBondContact O-N 2.79Å; D108-N110 PolarHBondContact OD1-N 3.41Å; D108-N110 PolarHBondContact OD1-ND2 2.85Å; D108-D111 HydrophobicContact CB-CB 3.95Å; D108-D111 WeakPolarHBondContact O-CB 3.36Å; D108-D111 PolarHBondContact O-N 2.95Å; D108-D111 VanDerWaalsContact O-N 3.13Å
109I92.6Very high74.6Confident43 Ų4385.9 Ų85.922%0.22153%0.528CS..THydrogen-bonded Turntrans-63.9-20.9179.9-163.8170.3000112.8L73 A95 S96 D97 L107L73-I109 HydrophobicContact CB-CD1 4.31Å; L73-I109 HydrophobicContact CD2-CD1 4.42Å; A95-I109 HydrophobicContact CB-CB 4.15Å; A95-I109 HydrophobicContact CB-CG1 4.18Å; S96-I109 VanDerWaalsContact C-CG2 3.5Å; S96-I109 PolarHBondContact O-N 2.81Å; D97-I109 HydrophobicContact CB-CG2 3.7Å; L107-I109 PolarHBondContact O-N 2.81Å
110N90.6Very high71.5Confident81 Ų8186.4 Ų86.443%0.43353%0.529SS..THydrogen-bonded Turntrans-98.92.2179.2-45.2-71.9000112.5R75 D108 L112R75-N110 PolarHBondContact NH2-OD1 3.08Å; R75-N110 VanDerWaalsContact NH2-OD1 3.12Å; D108-N110 PolarHBondContact O-N 2.79Å; D108-N110 PolarHBondContact OD1-N 3.41Å; D108-N110 PolarHBondContact OD1-ND2 2.85Å; N110-L112 VanDerWaalsContact C-N 3.25Å; N110-L112 PolarHBondContact O-N 2.86Å
111D86.4Confident68.4Low58 Ų5887.2 Ų87.231%0.3154%0.536SS..  trans-73.581.7173.5-172.828.4000109.9D108 M119D108-D111 HydrophobicContact CB-CB 3.95Å; D108-D111 WeakPolarHBondContact O-CB 3.36Å; D108-D111 PolarHBondContact O-N 2.95Å; D108-D111 VanDerWaalsContact O-N 3.13Å; D111-M119 HydrophobicContact CB-CE 3.79Å; D111-M119 WeakPolarHBondContact O-CE 3.48Å; D111-M119 WeakPolarHBondContact OD2-CE 3.14Å
112L70.2Confident65.4Low126 Ų12690 Ų9066%0.6653%0.533SS*.  trans-86.2132.6176.6-66.9174.1000109.9N110 G114N110-L112 VanDerWaalsContact C-N 3.25Å; N110-L112 PolarHBondContact O-N 2.86Å; L112-G114 PolarHBondContact O-N 3.05Å
113P48.1Very low62.7Low107 Ų10790 Ų9070%0.69554%0.535SS*.THydrogen-bonded Turntrans-60.5107.6174-17.729000110.6
114G53.5Low60.1Low79 Ų7983.2 Ų83.281%0.81450%0.501SS*.THydrogen-bonded Turntrans168.6-28-173.800000111.5L112L112-G114 PolarHBondContact O-N 3.05Å
115S46.5Very low57.8Low86 Ų8683.8 Ų83.860%0.60150%0.504SS*.SBendtrans-107.798.2160.233.60000108.8
116A37.5Very low55.6Low94 Ų9483.2 Ų83.278%0.77749%0.493SS*.  trans42.895.9170.600000117.5G118A116-G118 PolarHBondContact O-N 2.83Å; A116-G118 VanDerWaalsContact O-N 3.09Å
117I35.4Very low53.5Low163 Ų16389.4 Ų89.484%0.83651%0.511SS*.  trans-42.6109.4172-63.6164.8000112.3
118G29.3Very low51Low62 Ų6289.9 Ų89.964%0.63952%0.516SS*.  trans-136.313.6170.700000114A116 T120A116-G118 PolarHBondContact O-N 2.83Å; A116-G118 VanDerWaalsContact O-N 3.09Å; G118-T120 PolarHBondContact O-N 2.76Å
119M35.4Very low48.7Very low81 Ų8193.3 Ų93.340%0.39953%0.534SS..  trans-81.883.1176.9-72.7-169.4171.600111.3D111 T121D111-M119 HydrophobicContact CB-CE 3.79Å; D111-M119 WeakPolarHBondContact O-CE 3.48Å; D111-M119 WeakPolarHBondContact OD2-CE 3.14Å; M119-T121 PolarHBondContact O-N 3.45Å
120T28.1Very low46.3Very low132 Ų132102.9 Ų102.981%0.8157%0.567SS**  trans-83.960.7152.2-59.80000108G118G118-T120 PolarHBondContact O-N 2.76Å
121T30.9Very low44.2Very low45 Ų45103.2 Ų103.228%0.27658%0.576SS.*  trans-90.5116.1162.7470000106.5L107 M119 T123L107-T121 HydrophobicContact CD1-CG2 3.76Å; L107-T121 HydrophobicContact CD2-CG2 3.24Å; L107-T121 HydrophobicContact CG-CG2 4.14Å; M119-T121 PolarHBondContact O-N 3.45Å; T121-T123 PolarHBondContact O-N 3.26Å; T121-T123 PolarHBondContact OG1-OG1 3.24Å
122R30.2Very low42.2Very low228 Ų228105.9 Ų105.986%0.8660%0.599SS**  trans-70.561.7162.7-66.3178.8176.4179.7-0.6107.5I92I92-R122 WeakPolarHBondContact CD1-O 3.34Å
123T33.9Very low41Very low48 Ų48110.4 Ų110.429%0.29461%0.607SS.*PPolyproline II helixtrans-50.7135.1173.2-54.50000107.8I71 T121 V125I71-T123 HydrophobicContact CD1-CG2 3.86Å; T121-T123 PolarHBondContact O-N 3.26Å; T121-T123 PolarHBondContact OG1-OG1 3.24Å; T123-V125 WeakPolarHBondContact O-CG2 3.25Å; T123-V125 PolarHBondContact O-N 3.47Å
124P38.2Very low40.8Very low34 Ų34111.4 Ų111.422%0.22161%0.612CS.*PPolyproline II helixtrans-93.7122.5-167.342.4-29.8000107.4A69 I92A69-P124 VanDerWaalsContact C-CG 3.42Å; A69-P124 HydrophobicContact CB-CB 3.12Å; A69-P124 HydrophobicContact CB-CG 3.08Å; I92-P124 HydrophobicContact CB-CG 4.44Å; I92-P124 HydrophobicContact CD1-CB 3.91Å; I92-P124 HydrophobicContact CD1-CG 3.51Å; I92-P124 HydrophobicContact CG1-CB 4.4Å; I92-P124 HydrophobicContact CG1-CG 3.64Å; I92-P124 HydrophobicContact CG2-CB 4.17Å; I92-P124 HydrophobicContact CG2-CG 3.97Å
125V46.8Very low40.3Very low51 Ų51119.5 Ų119.531%0.30962%0.618SS.*PPolyproline II helixtrans-94.8129.2-171.1-176.40000106.5D56 L57 T123 R127D56-V125 WeakPolarHBondContact O-CG1 3Å; L57-V125 HydrophobicContact CB-CG1 4.25Å; L57-V125 HydrophobicContact CD1-CB 3.94Å; L57-V125 HydrophobicContact CD1-CG1 3.7Å; L57-V125 HydrophobicContact CD1-CG2 4Å; T123-V125 WeakPolarHBondContact O-CG2 3.25Å; T123-V125 PolarHBondContact O-N 3.47Å; V125-R127 HydrophobicContact CB-CG 4.09Å; V125-R127 HydrophobicContact CG1-CG 3.96Å; V125-R127 PolarHBondContact O-N 3.26Å
126M48.1Very low40Very low40 Ų40120.8 Ų120.820%0.19763%0.627CS.*  trans-65.291.2154.5-177.7174.216300106.7A47A47-M126 HydrophobicContact CB-CE 3.35Å; A47-M126 HydrophobicContact CB-SD 3.74Å
127R51.5Low40.2Very low202 Ų202121.6 Ų121.676%0.76263%0.627SS**  trans-69.7128.8176.7-77.5-176.3174.7-106.8-1.7107.5V125 L129V125-R127 HydrophobicContact CB-CG 4.09Å; V125-R127 HydrophobicContact CG1-CG 3.96Å; V125-R127 PolarHBondContact O-N 3.26Å; R127-L129 PolarHBondContact O-N 3.3Å
128P43.7Very low40.5Very low40 Ų40119.1 Ų119.126%0.2662%0.622SS.*  trans-53.5133173.1-26.534.2000111.8T52 R130T52-P128 HydrophobicContact CG2-CB 3.61Å; T52-P128 HydrophobicContact CG2-CG 3.58Å; P128-R130 PolarHBondContact O-N 3.22Å; P128-R130 VanDerWaalsContact O-N 3.08Å
129L46.4Very low41.1Very low159 Ų159121.4 Ų121.483%0.83263%0.625SS**  trans-61.2111.9167.1-70.2167.1000108R127 S131R127-L129 PolarHBondContact O-N 3.3Å; L129-S131 PolarHBondContact O-N 3.42Å
130R41.4Very low42.1Very low244 Ų244127 Ų12792%0.92165%0.65SS**  trans-64.6105.1171.4-74.7-177.2177.6-97.8-1.7108P128 S132P128-R130 PolarHBondContact O-N 3.22Å; P128-R130 VanDerWaalsContact O-N 3.08Å; R130-S132 PolarHBondContact O-N 2.74Å; R130-S132 VanDerWaalsContact O-N 3.15Å
131S46.7Very low43Very low89 Ų89130.1 Ų130.162%0.62265%0.653SS**  trans-66.8113.6171.973.40000109.2L129 R133L129-S131 PolarHBondContact O-N 3.42Å; S131-R133 PolarHBondContact O-N 2.98Å
132S43.6Very low43.9Very low114 Ų114133.7 Ų133.780%0.79768%0.679SS**  trans-73.571.5165.548.50000109.5R130 T134R130-S132 PolarHBondContact O-N 2.74Å; R130-S132 VanDerWaalsContact O-N 3.15Å; S132-T134 PolarHBondContact O-N 3.03Å; S132-T134 VanDerWaalsContact O-N 3.07Å
133R45.1Very low44.7Very low220 Ų220127.3 Ų127.383%0.8367%0.67SS**  trans-7796.5170.9-80.3-175.7177.8-131.31.1109.2S131 R135S131-R133 PolarHBondContact O-N 2.98Å; R133-R135 PolarHBondContact O-N 3.17Å
134T44.5Very low45.4Very low129 Ų129129.9 Ų129.979%0.79170%0.696SS**  trans-57.6124.9156.9490000107.8S132 S136S132-T134 PolarHBondContact O-N 3.03Å; S132-T134 VanDerWaalsContact O-N 3.07Å; T134-S136 PolarHBondContact O-N 3.37Å; T134-S136 VanDerWaalsContact O-N 3.08Å
135R42.4Very low45.9Very low248 Ų248136.9 Ų136.994%0.93673%0.725SS**  trans-68.4103.3175.6-71.4174.3176.4-115.90.9108.1R133R133-R135 PolarHBondContact O-N 3.17Å
136S41.6Very low45.5Very low114 Ų114137.9 Ų137.980%0.79775%0.747SS**PPolyproline II helixtrans-83.7121.4157.654.40000108.4T134T134-S136 PolarHBondContact O-N 3.37Å; T134-S136 VanDerWaalsContact O-N 3.08Å
137S41.7Very low45.5Very low110 Ų110151.7 Ų151.777%0.76980%0.796SS**PPolyproline II helixtrans-61.8142.8-179.5-55.60000111.6
138P41.6Very low45.2Very low112 Ų112149.2 Ų149.273%0.72780%0.798SS**PPolyproline II helixtrans-73.3150.5-178.828.9-32.9000112.3
139P42Very low45.3Very low109 Ų109154.9 Ų154.971%0.70883%0.826SS**PPolyproline II helixtrans-70.8134.2179.926.6-31.4000111.9F141P139-F141 PolarHBondContact O-N 2.72Å
140Q55.2Low45.2Very low200 Ų200154.7 Ų154.794%0.93583%0.826SS**PPolyproline II helixtrans-73.9118.1174-65.9-172.42.500110
141F46.7Very low45.4Very low196 Ų196149.4 Ų149.486%0.8682%0.82SS**  trans-88.4113.4166.7-87.7-90.3000109.5P139P139-F141 PolarHBondContact O-N 2.72Å
142S51.5Low45.4Very low120 Ų120153.2 Ų153.284%0.83983%0.833SS**  trans-78.1117.9171.2178.80000109.7
143S45.3Very low45.5Very low95 Ų95155.8 Ų155.866%0.66484%0.835SS**  trans-86.8106.1174.459.10000110.4H145S143-H145 PolarHBondContact O-N 3.48Å
144A50.4Low45.5Very low102 Ų102151.2 Ų151.284%0.84384%0.835SS**  trans-83.999162.900000108.9
145H47.1Very low45.6Very low180 Ų180152.9 Ų152.983%0.83384%0.839SS**  trans-85.9130163-8470.7000109.1S143S143-H145 PolarHBondContact O-N 3.48Å
146G38Very low45.8Very low73 Ų73145 Ų14575%0.75383%0.831SS**  trans-80156.9-174.400000115.5
147R49.1Very low46.2Very low329 Ų329147.8 Ų147.8100%1.24283%0.834SS**  -172.30115-98.7-179.9-178.2-125.91.4108.7

Retrieved 147 of 147 residues in 57.6 ms (Link to these results)