A0A077YVY4_TRITR Loading...

Ras modification protein ERF4

AlphaFold DB , UniProt , Accession A0A077YVY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M45.5Very low70Confident220 Ų22078.5 Ų78.5100%1.08443%0.431SS*.  0-49.60-125.690.9149.200113.3
2G59.9Low70.6Confident26 Ų2677.4 Ų77.427%0.26844%0.44SS..Hα-helixtrans-68.8-35.2-170.600000117A5 Q6G2-A5 PolarHBondContact O-N 2.87Å; G2-Q6 PolarHBondContact O-N 3.49Å; G2-Q6 VanDerWaalsContact O-N 3.1Å
3D67.2Low71.3Confident72 Ų7271.5 Ų71.539%0.38541%0.406SS..Hα-helixtrans-66.2-41-178-169.310.4000112.1A5 Q6 R7D3-A5 PolarHBondContact O-N 2.67Å; D3-Q6 PolarHBondContact O-N 2.86Å; D3-R7 VanDerWaalsContact CG-CZ 3.46Å; D3-R7 VanDerWaalsContact CG-NH2 3.33Å; D3-R7 WeakPolarHBondContact O-CG 3.34Å; D3-R7 PolarHBondContact O-N 3.4Å; D3-R7 IonicContact OD1-CZ 3.73Å; D3-R7 IonicContact OD1-NE 2.83Å; D3-R7 IonicContact OD1-NH1 3.76Å; D3-R7 PolarHBondContact OD1-NH1 2.93Å; D3-R7 IonicContact OD1-NH2 2.74Å; D3-R7 PolarHBondContact OD1-NH2 3.36Å; D3-R7 VanDerWaalsContact OD1-NH2 3.09Å; D3-R7 IonicContact OD2-CZ 3.72Å; D3-R7 IonicContact OD2-NH1 2.84Å; D3-R7 PolarHBondContact OD2-NH1 2.93Å; D3-R7 IonicContact OD2-NH2 3.34Å; D3-R7 PolarHBondContact OD2-NH2 3.24Å
4V71.7Confident71.6Confident88 Ų8872.1 Ų72.153%0.53341%0.408SS..Hα-helixtrans-64.1-41.1175.8-179.30000111.3Q6 R7 N8V4-Q6 PolarHBondContact O-N 2.94Å; V4-R7 PolarHBondContact O-N 3.14Å; V4-N8 WeakPolarHBondContact O-CB 3.29Å; V4-N8 PolarHBondContact O-N 2.74Å; V4-N8 PolarHBondContact O-ND2 3.47Å
5A71.9Confident72Confident48 Ų4878.5 Ų78.540%0.39744%0.44SS..Hα-helixtrans-62.2-44.2176.900000111.5G2 D3 N8 I9G2-A5 PolarHBondContact O-N 2.87Å; D3-A5 PolarHBondContact O-N 2.67Å; A5-N8 PolarHBondContact O-N 2.96Å; A5-I9 WeakPolarHBondContact O-CB 3.46Å; A5-I9 WeakPolarHBondContact O-CD1 3.17Å; A5-I9 WeakPolarHBondContact O-CG1 3.47Å; A5-I9 PolarHBondContact O-N 2.89Å
6Q71.5Confident72.3Confident30 Ų3075.6 Ų75.614%0.1443%0.426CS..Hα-helixtrans-66.2-39.2177.8-72.4-173.1-71.800113.2G2 D3 V4 I9 S10 F118G2-Q6 PolarHBondContact O-N 3.49Å; G2-Q6 VanDerWaalsContact O-N 3.1Å; D3-Q6 PolarHBondContact O-N 2.86Å; V4-Q6 PolarHBondContact O-N 2.94Å; Q6-I9 PolarHBondContact O-N 3.25Å; Q6-S10 WeakPolarHBondContact O-CB 3.22Å; Q6-S10 PolarHBondContact O-N 3.34Å; Q6-S10 PolarHBondContact O-OG 3.21Å; Q6-F118 HydrophobicContact CB-CZ 4.29Å; Q6-F118 HydrophobicContact CG-CE2 4.45Å
7R76Confident73.1Confident122 Ų12281.8 Ų81.846%0.4644%0.441SS..Hα-helixtrans-63.7-42.2172.9-71.9-171.8-176.1108.114.6111.6D3 V4 I9 S10 V11D3-R7 VanDerWaalsContact CG-CZ 3.46Å; D3-R7 VanDerWaalsContact CG-NH2 3.33Å; D3-R7 WeakPolarHBondContact O-CG 3.34Å; D3-R7 PolarHBondContact O-N 3.4Å; D3-R7 IonicContact OD1-CZ 3.73Å; D3-R7 IonicContact OD1-NE 2.83Å; D3-R7 IonicContact OD1-NH1 3.76Å; D3-R7 PolarHBondContact OD1-NH1 2.93Å; D3-R7 IonicContact OD1-NH2 2.74Å; D3-R7 PolarHBondContact OD1-NH2 3.36Å; D3-R7 VanDerWaalsContact OD1-NH2 3.09Å; D3-R7 IonicContact OD2-CZ 3.72Å; D3-R7 IonicContact OD2-NH1 2.84Å; D3-R7 PolarHBondContact OD2-NH1 2.93Å; D3-R7 IonicContact OD2-NH2 3.34Å; D3-R7 PolarHBondContact OD2-NH2 3.24Å; V4-R7 PolarHBondContact O-N 3.14Å; R7-I9 VanDerWaalsContact C-N 3.34Å; R7-I9 PolarHBondContact O-N 3.31Å; R7-S10 PolarHBondContact O-N 3.46Å; R7-S10 PolarHBondContact O-OG 2.84Å; R7-V11 WeakPolarHBondContact O-CB 3.38Å; R7-V11 VanDerWaalsContact O-CG2 3.23Å; R7-V11 WeakPolarHBondContact O-CG2 3.42Å; R7-V11 PolarHBondContact O-N 3.22Å
8N76.9Confident73.9Confident104 Ų10480.6 Ų80.656%0.55643%0.431SS*.Hα-helixtrans-63.9-40.7176.5-70.3-14.3000111.7V4 A5 V11 A12V4-N8 WeakPolarHBondContact O-CB 3.29Å; V4-N8 PolarHBondContact O-N 2.74Å; V4-N8 PolarHBondContact O-ND2 3.47Å; A5-N8 PolarHBondContact O-N 2.96Å; N8-V11 PolarHBondContact O-N 3.05Å; N8-A12 VanDerWaalsContact O-CB 3.29Å; N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.49Å
9I78.3Confident74.9Confident33 Ų3376.6 Ų76.617%0.16941%0.41CS..Hα-helixtrans-62-48.8173-68.7164.3000109.9A5 Q6 R7 V11 A12 L13 F118 L135 F139A5-I9 WeakPolarHBondContact O-CB 3.46Å; A5-I9 WeakPolarHBondContact O-CD1 3.17Å; A5-I9 WeakPolarHBondContact O-CG1 3.47Å; A5-I9 PolarHBondContact O-N 2.89Å; Q6-I9 PolarHBondContact O-N 3.25Å; R7-I9 VanDerWaalsContact C-N 3.34Å; R7-I9 PolarHBondContact O-N 3.31Å; I9-V11 VanDerWaalsContact C-N 3.29Å; I9-V11 PolarHBondContact O-N 3.1Å; I9-A12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 3.52Å; I9-L13 HydrophobicContact CG2-CG 4.25Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CD1 3.44Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.5Å; I9-F118 HydrophobicContact CB-CE2 4.45Å; I9-F118 HydrophobicContact CG2-CD2 3.84Å; I9-F118 HydrophobicContact CG2-CE2 3.89Å; I9-F118 HydrophobicContact CG2-CG 4.18Å; I9-F118 HydrophobicContact CG2-CZ 4.3Å; I9-L135 HydrophobicContact CG2-CD2 4.39Å; I9-F139 HydrophobicContact CG1-CE1 3.95Å
10S75Confident75.8Confident14 Ų1478 Ų7810%0.09841%0.412CS..Hα-helixtrans-62.8-37.1-178.476.10000112Q6 R7 K133Q6-S10 WeakPolarHBondContact O-CB 3.22Å; Q6-S10 PolarHBondContact O-N 3.34Å; Q6-S10 PolarHBondContact O-OG 3.21Å; R7-S10 PolarHBondContact O-N 3.46Å; R7-S10 PolarHBondContact O-OG 2.84Å; S10-K133 PolarHBondContact O-NZ 3.27Å
11V76.2Confident76.7Confident107 Ų10774.4 Ų74.465%0.64839%0.393SS*.Hα-helixtrans-68.3-47.5174.2172.20000111.5R7 N8 I9 L13 D14R7-V11 WeakPolarHBondContact O-CB 3.38Å; R7-V11 VanDerWaalsContact O-CG2 3.23Å; R7-V11 WeakPolarHBondContact O-CG2 3.42Å; R7-V11 PolarHBondContact O-N 3.22Å; N8-V11 PolarHBondContact O-N 3.05Å; I9-V11 VanDerWaalsContact C-N 3.29Å; I9-V11 PolarHBondContact O-N 3.1Å; V11-L13 PolarHBondContact O-N 3.26Å; V11-D14 PolarHBondContact O-N 2.81Å; V11-D14 VanDerWaalsContact O-N 3.14Å
12A77.2Confident79Confident65 Ų6573.3 Ų73.354%0.53738%0.377SS..Hα-helixtrans-61.6-26.8179.400000113.1N8 I9N8-A12 VanDerWaalsContact O-CB 3.29Å; N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.49Å; I9-A12 PolarHBondContact O-N 3.32Å
13L79Confident80.7Confident1 Ų173.5 Ų73.51%0.00537%0.37CS..THydrogen-bonded Turntrans-92.112.2-179.8-60.9169.3000113.6I9 V11 D15 C16 F118 K133 L135 P136I9-L13 HydrophobicContact CG2-CD1 3.52Å; I9-L13 HydrophobicContact CG2-CG 4.25Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CD1 3.44Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.5Å; V11-L13 PolarHBondContact O-N 3.26Å; L13-D15 PolarHBondContact O-N 3.39Å; L13-C16 HydrophobicContact CB-CB 4.3Å; L13-C16 HydrophobicContact CD2-CB 4.48Å; L13-C16 VanDerWaalsContact CD2-SG 3.56Å; L13-C16 WeakPolarHBondContact O-CB 3.4Å; L13-C16 PolarHBondContact O-N 3.46Å; L13-C16 VanDerWaalsContact O-N 3.08Å; L13-F118 HydrophobicContact CD1-CB 3.97Å; L13-F118 HydrophobicContact CD1-CD1 4.28Å; L13-F118 HydrophobicContact CD1-CG 4.16Å; L13-K133 HydrophobicContact CB-CB 4.28Å; L13-K133 HydrophobicContact CB-CD 3.52Å; L13-K133 HydrophobicContact CD1-CB 4.16Å; L13-K133 HydrophobicContact CD1-CD 4.26Å; L13-K133 WeakPolarHBondContact O-CD 3.44Å; L13-K133 PolarHBondContact O-NZ 2.89Å; L13-L135 HydrophobicContact CD1-CD2 3.36Å; L13-L135 HydrophobicContact CD2-CD2 3.73Å; L13-L135 HydrophobicContact CG-CD2 4.11Å; L13-P136 VanDerWaalsContact CD2-CD 3.44Å; L13-P136 HydrophobicContact CD2-CG 4.39Å
14D76.2Confident82Confident80 Ų8072 Ų7243%0.42836%0.362SS..THydrogen-bonded Turntrans-67.6-22.9-175.8-137.933.6000114.1V11 K18 R125 K133V11-D14 PolarHBondContact O-N 2.81Å; V11-D14 VanDerWaalsContact O-N 3.14Å; D14-K18 VanDerWaalsContact CG-NZ 3.33Å; D14-K18 WeakPolarHBondContact O-CE 3.5Å; D14-K18 PolarHBondContact O-NZ 3.04Å; D14-K18 VanDerWaalsContact OD1-CE 3.25Å; D14-K18 WeakPolarHBondContact OD1-CE 3.21Å; D14-K18 IonicContact OD1-NZ 2.65Å; D14-K18 PolarHBondContact OD1-NZ 3.27Å; D14-K18 IonicContact OD2-NZ 2.83Å; D14-R125 IonicContact OD1-NH2 3.98Å; D14-K133 IonicContact OD1-NZ 3.33Å; D14-K133 PolarHBondContact OD1-NZ 3.4Å
15D76.9Confident83Confident167 Ų16775.2 Ų75.289%0.89337%0.366SS*.THydrogen-bonded Turntrans-84.8-6.2172.3-64.3-27.4000114L13L13-D15 PolarHBondContact O-N 3.39Å
16C78Confident84Confident32 Ų3277.2 Ų77.222%0.21638%0.377CS..SBendtrans-77.8154.6-179.9-68.90000112.2L13 K18 K134L13-C16 HydrophobicContact CB-CB 4.3Å; L13-C16 HydrophobicContact CD2-CB 4.48Å; L13-C16 VanDerWaalsContact CD2-SG 3.56Å; L13-C16 WeakPolarHBondContact O-CB 3.4Å; L13-C16 PolarHBondContact O-N 3.46Å; L13-C16 VanDerWaalsContact O-N 3.08Å; C16-K18 PolarHBondContact O-N 3.29Å; C16-K18 VanDerWaalsContact O-N 3.15Å; C16-K134 WeakPolarHBondContact CB-O 3.33Å
17R84.5Confident84.9Confident182 Ų18278.8 Ų78.869%0.68740%0.395SS*.PPolyproline II helixtrans-59.2120.2174.6-170.6-175.8-67.1-164.21.3110K134R17-K134 PolarHBondContact O-N 2.77Å
18K89.1Confident85.6Confident59 Ų5974.8 Ų74.826%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-95.7134.9178.7-70.3156.1177.9159.40110.4D14 C16 F20 F132 K133D14-K18 VanDerWaalsContact CG-NZ 3.33Å; D14-K18 WeakPolarHBondContact O-CE 3.5Å; D14-K18 PolarHBondContact O-NZ 3.04Å; D14-K18 VanDerWaalsContact OD1-CE 3.25Å; D14-K18 WeakPolarHBondContact OD1-CE 3.21Å; D14-K18 IonicContact OD1-NZ 2.65Å; D14-K18 PolarHBondContact OD1-NZ 3.27Å; D14-K18 IonicContact OD2-NZ 2.83Å; C16-K18 PolarHBondContact O-N 3.29Å; C16-K18 VanDerWaalsContact O-N 3.15Å; K18-F20 HydrophobicContact CB-CE1 4.24Å; K18-F20 HydrophobicContact CB-CE2 3.87Å; K18-F20 HydrophobicContact CB-CZ 3.6Å; K18-F20 HydrophobicContact CD-CZ 4.22Å; K18-F20 HydrophobicContact CG-CZ 4.38Å; K18-F132 CarbonylContact C-O 3.52Å; K18-F132 WeakPolarHBondContact CA-O 3.5Å; K18-K133 HydrophobicContact CG-CG 4.26Å
19I92.1Very high86.3Confident6 Ų678.1 Ų78.13%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-114.8136.9171.5-59.6159.5000107.1P38 E40 L41 F132 K134I19-P38 HydrophobicContact CG2-CB 4.03Å; I19-P38 HydrophobicContact CG2-CG 4.29Å; I19-E40 HydrophobicContact CD1-CB 3.51Å; I19-E40 HydrophobicContact CG1-CB 3.77Å; I19-E40 HydrophobicContact CG1-CG 4.39Å; I19-E40 HydrophobicContact CG2-CB 4.26Å; I19-L41 HydrophobicContact CD1-CD2 3.44Å; I19-L41 VanDerWaalsContact CD1-CD2 3.44Å; I19-L41 HydrophobicContact CD1-CG 4Å; I19-L41 HydrophobicContact CG2-CG 4.36Å; I19-F132 HydrophobicContact CB-CB 4.18Å; I19-F132 PolarHBondContact N-O 2.86Å; I19-F132 PolarHBondContact O-N 2.67Å; I19-K134 HydrophobicContact CD1-CG 4.5Å
20F93.5Very high87Confident103 Ų10379.5 Ų79.545%0.45242%0.416SS..EExtended strand (participates in β ladder)trans-118.7126.4-174.3-59.6-75.3000111.1K18 V129 V130 S131K18-F20 HydrophobicContact CB-CE1 4.24Å; K18-F20 HydrophobicContact CB-CE2 3.87Å; K18-F20 HydrophobicContact CB-CZ 3.6Å; K18-F20 HydrophobicContact CD-CZ 4.22Å; K18-F20 HydrophobicContact CG-CZ 4.38Å; F20-V129 HydrophobicContact CD1-CB 4.34Å; F20-V129 HydrophobicContact CD1-CG2 3.86Å; F20-V129 HydrophobicContact CE1-CG2 4.43Å; F20-V130 WeakPolarHBondContact CA-O 3.49Å; F20-S131 WeakPolarHBondContact CE1-OG 3.11Å
21V94.2Very high87.9Confident3 Ų379.4 Ų79.42%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-95.1119.7167.5178.40000107.8F33 S34 P38 F50 V129 V130 F132V21-F33 HydrophobicContact CG1-CB 4.43Å; V21-S34 VanDerWaalsContact CG1-O 3.3Å; V21-S34 WeakPolarHBondContact CG1-O 3.42Å; V21-P38 HydrophobicContact CG2-CG 3.73Å; V21-F50 HydrophobicContact CG1-CZ 4.47Å; V21-F50 HydrophobicContact CG2-CE2 4.21Å; V21-F50 HydrophobicContact CG2-CZ 3.76Å; V21-V129 WeakPolarHBondContact O-CA 3.5Å; V21-V130 HydrophobicContact CB-CB 4.12Å; V21-V130 PolarHBondContact N-O 3.35Å; V21-V130 PolarHBondContact O-N 3.34Å; V21-F132 HydrophobicContact CB-CE2 4.25Å; V21-F132 HydrophobicContact CG2-CD2 4.01Å; V21-F132 HydrophobicContact CG2-CE2 3.41Å; V21-F132 VanDerWaalsContact CG2-CE2 3.41Å; V21-F132 HydrophobicContact CG2-CZ 4.28Å
22R93.5Very high88.8Confident197 Ų19777.2 Ų77.274%0.74340%0.397SS*.EExtended strand (participates in β ladder)trans-76.1161-179.6-61-171-64.7-174.6-0.7111.4S34R22-S34 PolarHBondContact O-N 3.33Å; R22-S34 VanDerWaalsContact O-N 3.09Å
23R95.2Very high89.7Confident30 Ų3074.1 Ų74.111%0.11337%0.371CS..BIsolated β-bridgetrans-62.3143.9168-72.9-70.5-61.8-98.2-19.1111.7Y25 M29 V30 V31 K32 F33 L127 R128R23-Y25 HydrophobicContact CB-CD2 4.19Å; R23-Y25 HydrophobicContact CB-CE1 4.16Å; R23-Y25 HydrophobicContact CB-CE2 3.57Å; R23-M29 PolarHBondContact NH2-O 3.26Å; R23-V30 PolarHBondContact NH2-O 2.9Å; R23-V31 VanDerWaalsContact NH1-CG2 3.31Å; R23-V31 VanDerWaalsContact NH2-CA 3.31Å; R23-K32 CarbonylContact C-O 3.53Å; R23-K32 WeakPolarHBondContact CA-O 3.43Å; R23-K32 WeakPolarHBondContact CD-O 3.38Å; R23-K32 PolarHBondContact NE-O 3.14Å; R23-F33 VanDerWaalsContact CD-CE1 3.43Å; R23-F33 HydrophobicContact CG-CD1 4.28Å; R23-F33 HydrophobicContact CG-CE1 4.14Å; R23-L127 PolarHBondContact NH1-O 2.87Å; R23-L127 VanDerWaalsContact NH1-O 3.09Å; R23-R128 VanDerWaalsContact CG-O 3.26Å; R23-R128 WeakPolarHBondContact CG-O 3.23Å
24D94.4Very high90.5Very high42 Ų4275.6 Ų75.623%0.22538%0.381CS..  trans-100.2106169.2174.812.7000108.6S26 K32D24-S26 VanDerWaalsContact C-N 3.31Å; D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 3.41Å; D24-S26 PolarHBondContact OD1-OG 2.91Å; D24-S26 PolarHBondContact OD2-OG 2.9Å; D24-K32 HydrophobicContact CB-CD 4.18Å; D24-K32 HydrophobicContact CB-CG 4.21Å; D24-K32 PolarHBondContact N-O 3.08Å; D24-K32 WeakPolarHBondContact OD2-CE 3.36Å; D24-K32 IonicContact OD2-NZ 3.19Å; D24-K32 PolarHBondContact OD2-NZ 3.29Å
25Y93.4Very high91.4Very high154 Ų15474.5 Ų74.560%0.60438%0.378SS*.  trans-89.38.8-178.5-64.5-76.4000113.6R23 A27 G28R23-Y25 HydrophobicContact CB-CD2 4.19Å; R23-Y25 HydrophobicContact CB-CE1 4.16Å; R23-Y25 HydrophobicContact CB-CE2 3.57Å; Y25-A27 PolarHBondContact O-N 3.48Å; Y25-A27 VanDerWaalsContact O-N 3.15Å; Y25-G28 PolarHBondContact O-N 2.95Å
26S93Very high92.3Very high90 Ų9074.6 Ų74.663%0.62937%0.37SS*.THydrogen-bonded Turntrans-58.1-27.6179.854.80000114D24 K32D24-S26 VanDerWaalsContact C-N 3.31Å; D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 3.41Å; D24-S26 PolarHBondContact OD1-OG 2.91Å; D24-S26 PolarHBondContact OD2-OG 2.9Å; S26-K32 PolarHBondContact OG-NZ 3.29Å
27A89.9Confident93Very high63 Ų6374.4 Ų74.452%0.52137%0.367SS..THydrogen-bonded Turntrans-10218178.500000113.3Y25 V30 K32Y25-A27 PolarHBondContact O-N 3.48Å; Y25-A27 VanDerWaalsContact O-N 3.15Å; A27-V30 HydrophobicContact CB-CG2 3.99Å; A27-V30 WeakPolarHBondContact O-CG2 3.12Å; A27-K32 HydrophobicContact CB-CD 4.39Å
28G91.1Very high93.4Very high39 Ų3966.5 Ų66.540%0.40234%0.339SS..SBendtrans93-144.9-176.700000113.1Y25Y25-G28 PolarHBondContact O-N 2.95Å
29M91.2Very high93.5Very high174 Ų17468 Ų6886%0.85736%0.355SS*.SBendtrans-89.4-7.3-172.6-58.5-164.6-63.800114.5R23R23-M29 PolarHBondContact NH2-O 3.26Å
30V92.5Very high93.4Very high62 Ų6272.5 Ų72.538%0.37638%0.376SS..SBendtrans-57145.2179.5-67.30000113.2R23 A27 K32 E65R23-V30 PolarHBondContact NH2-O 2.9Å; A27-V30 HydrophobicContact CB-CG2 3.99Å; A27-V30 WeakPolarHBondContact O-CG2 3.12Å; V30-K32 PolarHBondContact O-N 3.18Å; V30-E65 VanDerWaalsContact CA-OE2 3.26Å; V30-E65 WeakPolarHBondContact CA-OE2 3.37Å; V30-E65 WeakPolarHBondContact CB-OE2 3.37Å; V30-E65 WeakPolarHBondContact CG1-OE2 3.44Å
31V94Very high93.2Very high12 Ų1267.6 Ų67.67%0.07335%0.354CS..SBendtrans-62.1101.7-178.6-179.10000112.6R23 F33 Y61 E65 L127R23-V31 VanDerWaalsContact NH1-CG2 3.31Å; R23-V31 VanDerWaalsContact NH2-CA 3.31Å; V31-F33 HydrophobicContact CG1-CE2 3.91Å; V31-F33 HydrophobicContact CG1-CZ 4.27Å; V31-Y61 HydrophobicContact CB-CD1 4.31Å; V31-Y61 HydrophobicContact CB-CG 4.14Å; V31-Y61 HydrophobicContact CG1-CD1 3.7Å; V31-Y61 HydrophobicContact CG1-CD2 3.69Å; V31-Y61 HydrophobicContact CG1-CE1 4.16Å; V31-Y61 HydrophobicContact CG1-CE2 4.14Å; V31-Y61 HydrophobicContact CG1-CG 3.44Å; V31-Y61 VanDerWaalsContact CG1-CG 3.44Å; V31-E65 WeakPolarHBondContact CB-OE1 3.34Å; V31-E65 WeakPolarHBondContact CG2-OE1 3.35Å; V31-E65 VanDerWaalsContact N-CD 3.34Å; V31-E65 PolarHBondContact N-OE1 3.06Å; V31-E65 PolarHBondContact N-OE2 3.08Å; V31-E65 VanDerWaalsContact N-OE2 3.12Å; V31-L127 HydrophobicContact CG2-CB 4.42Å; V31-L127 HydrophobicContact CG2-CD1 4.09Å
32K96.1Very high92.9Very high61 Ų6173.6 Ų73.627%0.26538%0.382SS..  trans-148.6130.8-178.9-167.9-171.7-175.9-157.10111.3R23 D24 S26 A27 V30 N58R23-K32 CarbonylContact C-O 3.53Å; R23-K32 WeakPolarHBondContact CA-O 3.43Å; R23-K32 WeakPolarHBondContact CD-O 3.38Å; R23-K32 PolarHBondContact NE-O 3.14Å; D24-K32 HydrophobicContact CB-CD 4.18Å; D24-K32 HydrophobicContact CB-CG 4.21Å; D24-K32 PolarHBondContact N-O 3.08Å; D24-K32 WeakPolarHBondContact OD2-CE 3.36Å; D24-K32 IonicContact OD2-NZ 3.19Å; D24-K32 PolarHBondContact OD2-NZ 3.29Å; S26-K32 PolarHBondContact OG-NZ 3.29Å; A27-K32 HydrophobicContact CB-CD 4.39Å; V30-K32 PolarHBondContact O-N 3.18Å; K32-N58 WeakPolarHBondContact CA-OD1 3.35Å; K32-N58 HydrophobicContact CG-CB 4.5Å
33F96.5Very high92.6Very high0 Ų068.4 Ų68.40%039%0.39CS..BIsolated β-bridgetrans-106.4149.8177.9-59.5-78000111.5V21 R23 V31 T35 I54 L57 N58 Y61 P122 V130V21-F33 HydrophobicContact CG1-CB 4.43Å; R23-F33 VanDerWaalsContact CD-CE1 3.43Å; R23-F33 HydrophobicContact CG-CD1 4.28Å; R23-F33 HydrophobicContact CG-CE1 4.14Å; V31-F33 HydrophobicContact CG1-CE2 3.91Å; V31-F33 HydrophobicContact CG1-CZ 4.27Å; F33-T35 PolarHBondContact O-N 2.88Å; F33-I54 HydrophobicContact CB-CG2 3.97Å; F33-L57 HydrophobicContact CD2-CD2 4.09Å; F33-L57 HydrophobicContact CE2-CD2 4.36Å; F33-N58 PolarHBondContact N-OD1 3.08Å; F33-N58 PolarHBondContact O-ND2 2.89Å; F33-Y61 HydrophobicContact CD2-CD2 4.45Å; F33-Y61 HydrophobicContact CD2-CE2 4.33Å; F33-Y61 AromaticContact CE2-CD2 3.94Å; F33-Y61 HydrophobicContact CE2-CD2 3.94Å; F33-Y61 AromaticContact CE2-CE2 3.56Å; F33-Y61 HydrophobicContact CE2-CE2 3.56Å; F33-P122 HydrophobicContact CE2-CB 4.36Å; F33-P122 HydrophobicContact CE2-CG 4.36Å; F33-P122 HydrophobicContact CZ-CB 3.79Å; F33-P122 HydrophobicContact CZ-CG 4.17Å; F33-V130 HydrophobicContact CB-CG2 4.13Å; F33-V130 HydrophobicContact CD1-CG2 3.44Å; F33-V130 VanDerWaalsContact CD1-CG2 3.44Å; F33-V130 HydrophobicContact CD2-CG2 3.86Å; F33-V130 HydrophobicContact CE1-CG2 3.69Å; F33-V130 HydrophobicContact CE2-CG2 4.1Å; F33-V130 HydrophobicContact CG-CG2 3.52Å; F33-V130 HydrophobicContact CZ-CG2 4.02Å
34S95.6Very high92.2Very high31 Ų3171.5 Ų71.522%0.21740%0.402CS..  trans-64.8128.9176.6169.60000111.3V21 R22 K36V21-S34 VanDerWaalsContact CG1-O 3.3Å; V21-S34 WeakPolarHBondContact CG1-O 3.42Å; R22-S34 PolarHBondContact O-N 3.33Å; R22-S34 VanDerWaalsContact O-N 3.09Å; S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 PolarHBondContact O-N 2.65Å; S34-K36 PolarHBondContact OG-N 3.33Å
35T95.5Very high92Very high57 Ų5769.8 Ų69.835%0.3539%0.393SS..  trans-82.5-3.117653.40000113.6F33 F50 I54F33-T35 PolarHBondContact O-N 2.88Å; T35-F50 WeakPolarHBondContact O-CD1 3.44Å; T35-F50 WeakPolarHBondContact O-CE1 3.23Å; T35-I54 HydrophobicContact CG2-CB 4.31Å; T35-I54 HydrophobicContact CG2-CG2 3.96Å
36K94.2Very high92Very high169 Ų16966.5 Ų66.574%0.73539%0.385SS*.SBendtrans-72.6126.4176.5-61.3-176.5178.4-178.30111S34 P38 F50S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 PolarHBondContact O-N 2.65Å; S34-K36 PolarHBondContact OG-N 3.33Å; K36-P38 WeakPolarHBondContact O-CD 3.46Å; K36-F50 WeakPolarHBondContact O-CE1 3.35Å
37L93.6Very high92.1Very high28 Ų2865.5 Ų65.515%0.14738%0.377CS..PPolyproline II helixtrans-65122176.9-174.571.3000110.7L41 Q42 P47 F50L37-L41 HydrophobicContact CD1-CB 3.79Å; L37-L41 HydrophobicContact CD1-CD1 4.37Å; L37-L41 HydrophobicContact CG-CB 4.34Å; L37-Q42 HydrophobicContact CD2-CG 4.05Å; L37-P47 HydrophobicContact CD2-CB 4.26Å; L37-P47 HydrophobicContact CD2-CG 3.89Å; L37-F50 HydrophobicContact CB-CD1 4.13Å; L37-F50 HydrophobicContact CD1-CB 3.71Å; L37-F50 HydrophobicContact CD1-CD1 3.94Å; L37-F50 HydrophobicContact CD1-CD2 3.81Å; L37-F50 HydrophobicContact CD1-CE2 4.39Å; L37-F50 HydrophobicContact CD1-CG 3.53Å
38P92.8Very high92.3Very high16 Ų1668.5 Ų68.510%0.10438%0.384CS..PPolyproline II helixtrans-61.6143173.7-22.633.1000112.3I19 V21 K36 E40 L41 Q42I19-P38 HydrophobicContact CG2-CB 4.03Å; I19-P38 HydrophobicContact CG2-CG 4.29Å; V21-P38 HydrophobicContact CG2-CG 3.73Å; K36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-E40 VanDerWaalsContact CB-OE2 3.25Å; P38-E40 WeakPolarHBondContact CB-OE2 3.46Å; P38-E40 PolarHBondContact O-N 3.1Å; P38-E40 VanDerWaalsContact O-N 3.11Å; P38-L41 HydrophobicContact CG-CD1 4.28Å; P38-L41 PolarHBondContact O-N 3.4Å; P38-Q42 PolarHBondContact O-N 3.01Å
39P91.4Very high92.5Very high92 Ų9268.9 Ų68.960%0.59738%0.375SS*.G310 helixtrans-53.2-32.7177.7-26.634.9000114.1L41 Q42P39-L41 PolarHBondContact O-N 3.42Å; P39-Q42 WeakPolarHBondContact O-CB 3.4Å; P39-Q42 PolarHBondContact O-N 3.21Å
40E88.9Confident92.7Very high100 Ų10060.6 Ų60.647%0.46734%0.335SS..G310 helixtrans-72.9-13.5-176.9-53.686.4166.500114.2I19 P38 K134I19-E40 HydrophobicContact CD1-CB 3.51Å; I19-E40 HydrophobicContact CG1-CB 3.77Å; I19-E40 HydrophobicContact CG1-CG 4.39Å; I19-E40 HydrophobicContact CG2-CB 4.26Å; P38-E40 VanDerWaalsContact CB-OE2 3.25Å; P38-E40 WeakPolarHBondContact CB-OE2 3.46Å; P38-E40 PolarHBondContact O-N 3.1Å; P38-E40 VanDerWaalsContact O-N 3.11Å; E40-K134 PolarHBondContact O-NZ 3.07Å
41L89.7Confident92.9Very high0 Ų059 Ų590%033%0.327CS..G310 helixtrans-102.6-8175.1-63.6-176.1000112.8I19 L37 P38 P39 G43 R44 L45 F50 L117 F132I19-L41 HydrophobicContact CD1-CD2 3.44Å; I19-L41 VanDerWaalsContact CD1-CD2 3.44Å; I19-L41 HydrophobicContact CD1-CG 4Å; I19-L41 HydrophobicContact CG2-CG 4.36Å; L37-L41 HydrophobicContact CD1-CB 3.79Å; L37-L41 HydrophobicContact CD1-CD1 4.37Å; L37-L41 HydrophobicContact CG-CB 4.34Å; P38-L41 HydrophobicContact CG-CD1 4.28Å; P38-L41 PolarHBondContact O-N 3.4Å; P39-L41 PolarHBondContact O-N 3.42Å; L41-G43 PolarHBondContact O-N 3.38Å; L41-R44 PolarHBondContact O-N 3.06Å; L41-R44 VanDerWaalsContact O-N 3.1Å; L41-L45 PolarHBondContact O-N 3.29Å; L41-F50 HydrophobicContact CD1-CE2 4.26Å; L41-L117 HydrophobicContact CD2-CD1 3.77Å; L41-L117 HydrophobicContact CD2-CD2 3.61Å; L41-L117 HydrophobicContact CD2-CG 4.36Å; L41-F132 HydrophobicContact CD1-CD1 3.9Å; L41-F132 HydrophobicContact CD1-CD2 4.41Å; L41-F132 HydrophobicContact CD1-CE1 4.13Å; L41-F132 HydrophobicContact CD1-CG 4.08Å
42Q88.7Confident93Very high128 Ų12865.4 Ų65.460%0.59835%0.35SS*.THydrogen-bonded Turntrans-59.5134.9175.2-67.9178.66.700110.2L37 P38 P39 R44L37-Q42 HydrophobicContact CD2-CG 4.05Å; P38-Q42 PolarHBondContact O-N 3.01Å; P39-Q42 WeakPolarHBondContact O-CB 3.4Å; P39-Q42 PolarHBondContact O-N 3.21Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 3.5Å
43G86.5Confident93.1Very high88 Ų8862.6 Ų62.691%0.90734%0.338SS*.THydrogen-bonded Turntrans81.3-5.7-176.900000115.4L41L41-G43 PolarHBondContact O-N 3.38Å
44R87.3Confident93.1Very high95 Ų9562.8 Ų62.836%0.35834%0.339SS..THydrogen-bonded Turntrans-108.5-26.8170.9-70.4-169.3176.1-158.9-5.2113.8L41 Q42 H115 G116 L117L41-R44 PolarHBondContact O-N 3.06Å; L41-R44 VanDerWaalsContact O-N 3.1Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 3.5Å; R44-H115 WeakPolarHBondContact O-CB 3.4Å; R44-H115 PolarHBondContact O-CD2 2.82Å; R44-H115 VanDerWaalsContact O-CG 3.26Å; R44-G116 PolarHBondContact NH1-O 3.29Å; R44-L117 HydrophobicContact CB-CD1 4.24Å
45L91Very high93.1Very high7 Ų764.2 Ų64.24%0.03735%0.347CS..SBendtrans-138.1139.3-178-17364.4000108.9L41 E49 F50 V111 F112L41-L45 PolarHBondContact O-N 3.29Å; L45-E49 HydrophobicContact CD1-CG 4.29Å; L45-F50 HydrophobicContact CD2-CB 3.67Å; L45-F50 HydrophobicContact CD2-CD2 3.71Å; L45-F50 HydrophobicContact CD2-CG 4.16Å; L45-F50 HydrophobicContact CG-CB 4.17Å; L45-V111 HydrophobicContact CD1-CG1 3.57Å; L45-F112 HydrophobicContact CD2-CD1 4.4Å; L45-F112 HydrophobicContact CD2-CE1 3.8Å
46D92.9Very high93.2Very high84 Ų8465.3 Ų65.345%0.44935%0.347SS..  trans-67.2133.2175.6179.266.9000110.6D48 E49 F50D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 3.42Å; D46-D48 WeakPolarHBondContact OD2-CB 3.43Å; D46-D48 PolarHBondContact OD2-N 2.83Å; D46-D48 VanDerWaalsContact OD2-N 3.08Å; D46-E49 HydrophobicContact CB-CB 3.99Å; D46-E49 PolarHBondContact O-N 3.01Å; D46-E49 PolarHBondContact OD2-N 3.06Å; D46-E49 VanDerWaalsContact OD2-N 3.07Å; D46-F50 PolarHBondContact O-N 2.85Å
47P94.5Very high93.4Very high70 Ų7057.3 Ų57.346%0.45531%0.312SS..Hα-helixtrans-58.5-37.1-179.4-24.633.5000113.9L37 A51L37-P47 HydrophobicContact CD2-CB 4.26Å; L37-P47 HydrophobicContact CD2-CG 3.89Å; P47-A51 VanDerWaalsContact O-CB 3.29Å; P47-A51 WeakPolarHBondContact O-CB 3.41Å; P47-A51 PolarHBondContact O-N 3.49Å
48D94.9Very high93.5Very high125 Ų12556.8 Ų56.867%0.66831%0.309SS*.Hα-helixtrans-73.6-39.3-179.3-64.7-31.1000110.4D46 A51 R52D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 3.42Å; D46-D48 WeakPolarHBondContact OD2-CB 3.43Å; D46-D48 PolarHBondContact OD2-N 2.83Å; D46-D48 VanDerWaalsContact OD2-N 3.08Å; D48-A51 PolarHBondContact O-N 2.9Å; D48-R52 VanDerWaalsContact O-CB 3.28Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 3.23Å
49E94.5Very high93.7Very high48 Ų4860.1 Ų60.122%0.22432%0.323CS..Hα-helixtrans-61.4-46.5172.9-177.1162.3-131.700112.1L45 D46 R52 I53 V111L45-E49 HydrophobicContact CD1-CG 4.29Å; D46-E49 HydrophobicContact CB-CB 3.99Å; D46-E49 PolarHBondContact O-N 3.01Å; D46-E49 PolarHBondContact OD2-N 3.06Å; D46-E49 VanDerWaalsContact OD2-N 3.07Å; E49-R52 PolarHBondContact O-N 3.27Å; E49-R52 IonicContact OE1-NH2 3.16Å; E49-R52 PolarHBondContact OE1-NH2 3.48Å; E49-I53 HydrophobicContact CG-CD1 4Å; E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 3.19Å; E49-V111 HydrophobicContact CG-CG1 4.22Å; E49-V111 WeakPolarHBondContact OE1-CG2 3.29Å
50F95.7Very high94Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-59-49.6175.1176-95.9000111.6V21 T35 K36 L37 L41 L45 D46 R52 I53 I54 F132V21-F50 HydrophobicContact CG1-CZ 4.47Å; V21-F50 HydrophobicContact CG2-CE2 4.21Å; V21-F50 HydrophobicContact CG2-CZ 3.76Å; T35-F50 WeakPolarHBondContact O-CD1 3.44Å; T35-F50 WeakPolarHBondContact O-CE1 3.23Å; K36-F50 WeakPolarHBondContact O-CE1 3.35Å; L37-F50 HydrophobicContact CB-CD1 4.13Å; L37-F50 HydrophobicContact CD1-CB 3.71Å; L37-F50 HydrophobicContact CD1-CD1 3.94Å; L37-F50 HydrophobicContact CD1-CD2 3.81Å; L37-F50 HydrophobicContact CD1-CE2 4.39Å; L37-F50 HydrophobicContact CD1-CG 3.53Å; L41-F50 HydrophobicContact CD1-CE2 4.26Å; L45-F50 HydrophobicContact CD2-CB 3.67Å; L45-F50 HydrophobicContact CD2-CD2 3.71Å; L45-F50 HydrophobicContact CD2-CG 4.16Å; L45-F50 HydrophobicContact CG-CB 4.17Å; D46-F50 PolarHBondContact O-N 2.85Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 2.77Å; F50-I53 PolarHBondContact O-N 2.84Å; F50-I54 HydrophobicContact CD1-CG1 4.24Å; F50-I54 HydrophobicContact CD2-CG1 4.23Å; F50-I54 HydrophobicContact CE1-CG1 3.81Å; F50-I54 HydrophobicContact CE2-CD1 4.19Å; F50-I54 HydrophobicContact CE2-CG1 3.84Å; F50-I54 HydrophobicContact CG-CG1 4.44Å; F50-I54 HydrophobicContact CZ-CD1 4.19Å; F50-I54 HydrophobicContact CZ-CG1 3.6Å; F50-I54 WeakPolarHBondContact O-CG1 3.39Å; F50-I54 PolarHBondContact O-N 2.83Å; F50-F132 HydrophobicContact CD2-CZ 4.39Å; F50-F132 HydrophobicContact CE2-CE1 4.15Å; F50-F132 HydrophobicContact CE2-CE2 4.22Å; F50-F132 AromaticContact CE2-CZ 3.6Å; F50-F132 HydrophobicContact CE2-CZ 3.6Å
51A96.5Very high94.3Very high27 Ų2751.9 Ų51.922%0.22328%0.277CS..Hα-helixtrans-60.3-40.8-179.500000111.3P47 D48 T55P47-A51 VanDerWaalsContact O-CB 3.29Å; P47-A51 WeakPolarHBondContact O-CB 3.41Å; P47-A51 PolarHBondContact O-N 3.49Å; D48-A51 PolarHBondContact O-N 2.9Å; A51-T55 WeakPolarHBondContact O-CB 3.33Å; A51-T55 PolarHBondContact O-N 2.87Å; A51-T55 PolarHBondContact O-OG1 2.81Å
52R97Very high94.5Very high148 Ų14854.7 Ų54.756%0.55830%0.301SS*.Hα-helixtrans-61-46.5175.4-177.7-175.464.2131.1-2111.9D48 E49 F50 T55 K56D48-R52 VanDerWaalsContact O-CB 3.28Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 3.23Å; E49-R52 PolarHBondContact O-N 3.27Å; E49-R52 IonicContact OE1-NH2 3.16Å; E49-R52 PolarHBondContact OE1-NH2 3.48Å; F50-R52 VanDerWaalsContact C-N 3.29Å; F50-R52 PolarHBondContact O-N 2.77Å; R52-T55 PolarHBondContact O-N 3.09Å; R52-K56 WeakPolarHBondContact O-CB 3.41Å; R52-K56 PolarHBondContact O-N 2.81Å
53I96.6Very high94.8Very high2 Ų253.7 Ų53.71%0.0129%0.294CS..Hα-helixtrans-64.2-47.9-179.7-67.5166.9000111.1E49 F50 T55 K56 L57 Y103 Q107 V111 F112E49-I53 HydrophobicContact CG-CD1 4Å; E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 3.19Å; F50-I53 PolarHBondContact O-N 2.84Å; I53-T55 PolarHBondContact O-N 3.34Å; I53-K56 PolarHBondContact O-N 3.15Å; I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 2.74Å; I53-Y103 WeakPolarHBondContact CA-OH 3.11Å; I53-Y103 HydrophobicContact CG2-CE1 4.1Å; I53-Q107 HydrophobicContact CG1-CG 4.38Å; I53-Q107 HydrophobicContact CG2-CG 4.06Å; I53-V111 HydrophobicContact CD1-CB 4.33Å; I53-V111 HydrophobicContact CD1-CG1 4.05Å; I53-V111 HydrophobicContact CD1-CG2 4.29Å; I53-F112 HydrophobicContact CD1-CE1 4.38Å; I53-F112 HydrophobicContact CD1-CE2 4.38Å; I53-F112 HydrophobicContact CD1-CZ 3.84Å; I53-F112 HydrophobicContact CG2-CE2 4.32Å; I53-F112 HydrophobicContact CG2-CZ 3.98Å
54I96.8Very high95.1Very high3 Ų349.8 Ų49.82%0.01525%0.253CS..Hα-helixtrans-67.4-36.9179.2-61.5-59.2000111.5F33 T35 F50 K56 L57 N58 F132F33-I54 HydrophobicContact CB-CG2 3.97Å; T35-I54 HydrophobicContact CG2-CB 4.31Å; T35-I54 HydrophobicContact CG2-CG2 3.96Å; F50-I54 HydrophobicContact CD1-CG1 4.24Å; F50-I54 HydrophobicContact CD2-CG1 4.23Å; F50-I54 HydrophobicContact CE1-CG1 3.81Å; F50-I54 HydrophobicContact CE2-CD1 4.19Å; F50-I54 HydrophobicContact CE2-CG1 3.84Å; F50-I54 HydrophobicContact CG-CG1 4.44Å; F50-I54 HydrophobicContact CZ-CD1 4.19Å; F50-I54 HydrophobicContact CZ-CG1 3.6Å; F50-I54 WeakPolarHBondContact O-CG1 3.39Å; F50-I54 PolarHBondContact O-N 2.83Å; I54-K56 VanDerWaalsContact C-N 3.34Å; I54-L57 HydrophobicContact CD1-CD2 4.4Å; I54-L57 WeakPolarHBondContact O-CB 3.33Å; I54-L57 PolarHBondContact O-N 2.8Å; I54-N58 WeakPolarHBondContact O-CB 3.4Å; I54-N58 PolarHBondContact O-N 3.07Å; I54-N58 PolarHBondContact O-ND2 3.4Å; I54-F132 HydrophobicContact CD1-CZ 4.44Å
55T97.2Very high95.3Very high61 Ų6148.5 Ų48.537%0.37425%0.252SS..Hα-helixtrans-61.7-45.1174.3-610000110.6A51 R52 I53 L57 N58 E59A51-T55 WeakPolarHBondContact O-CB 3.33Å; A51-T55 PolarHBondContact O-N 2.87Å; A51-T55 PolarHBondContact O-OG1 2.81Å; R52-T55 PolarHBondContact O-N 3.09Å; I53-T55 PolarHBondContact O-N 3.34Å; T55-L57 VanDerWaalsContact C-N 3.32Å; T55-L57 PolarHBondContact O-N 2.97Å; T55-N58 WeakPolarHBondContact O-CB 3.37Å; T55-N58 PolarHBondContact O-N 3.4Å; T55-E59 WeakPolarHBondContact O-CG 3.38Å; T55-E59 PolarHBondContact O-N 3.48Å
56K97.3Very high95.4Very high81 Ų8155 Ų5535%0.35228%0.279SS..Hα-helixtrans-62.6-41.3176.9-171.754.5170.3-173.10112.3R52 I53 I54 N58 E59 I60 Y103R52-K56 WeakPolarHBondContact O-CB 3.41Å; R52-K56 PolarHBondContact O-N 2.81Å; I53-K56 PolarHBondContact O-N 3.15Å; I54-K56 VanDerWaalsContact C-N 3.34Å; K56-N58 VanDerWaalsContact C-N 3.35Å; K56-E59 VanDerWaalsContact CD-OE2 3.26Å; K56-E59 WeakPolarHBondContact CD-OE2 3.41Å; K56-E59 IonicContact NZ-OE2 3.1Å; K56-E59 PolarHBondContact NZ-OE2 2.94Å; K56-E59 WeakPolarHBondContact O-CB 3.48Å; K56-E59 PolarHBondContact O-N 2.67Å; K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 2.84Å; K56-I60 VanDerWaalsContact O-N 3.14Å; K56-Y103 HydrophobicContact CB-CE1 4.16Å; K56-Y103 HydrophobicContact CB-CE2 4.46Å; K56-Y103 WeakPolarHBondContact CB-OH 3.33Å; K56-Y103 HydrophobicContact CG-CD2 4.49Å; K56-Y103 HydrophobicContact CG-CE1 4.14Å; K56-Y103 HydrophobicContact CG-CE2 3.85Å
57L96.8Very high95.3Very high1 Ų157.6 Ų57.61%0.00529%0.292CS..Hα-helixtrans-58.7-47.4174.7-175.964.7000111.2F33 I53 I54 T55 E59 I60 Y61 V100 L104 P122 V130F33-L57 HydrophobicContact CD2-CD2 4.09Å; F33-L57 HydrophobicContact CE2-CD2 4.36Å; I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 2.74Å; I54-L57 HydrophobicContact CD1-CD2 4.4Å; I54-L57 WeakPolarHBondContact O-CB 3.33Å; I54-L57 PolarHBondContact O-N 2.8Å; T55-L57 VanDerWaalsContact C-N 3.32Å; T55-L57 PolarHBondContact O-N 2.97Å; L57-E59 VanDerWaalsContact C-N 3.34Å; L57-E59 PolarHBondContact O-N 3.34Å; L57-I60 PolarHBondContact O-N 3.36Å; L57-Y61 HydrophobicContact CD1-CD2 4.14Å; L57-Y61 HydrophobicContact CD1-CE2 3.54Å; L57-Y61 HydrophobicContact CD2-CE2 4.21Å; L57-Y61 HydrophobicContact CG-CD2 3.95Å; L57-Y61 HydrophobicContact CG-CE2 3.61Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.25Å; L57-Y61 PolarHBondContact O-N 3.16Å; L57-Y61 VanDerWaalsContact O-N 3.1Å; L57-V100 HydrophobicContact CD1-CB 4.41Å; L57-V100 HydrophobicContact CD1-CG1 3.45Å; L57-V100 VanDerWaalsContact CD1-CG1 3.45Å; L57-V100 HydrophobicContact CD1-CG2 4.24Å; L57-L104 HydrophobicContact CD1-CD1 4.43Å; L57-L104 HydrophobicContact CD1-CD2 4.32Å; L57-L104 HydrophobicContact CD1-CG 4.38Å; L57-P122 HydrophobicContact CD2-CG 4.45Å; L57-V130 HydrophobicContact CD2-CG2 4.2Å
58N96.9Very high95.2Very high17 Ų1756.2 Ų56.29%0.09128%0.282CS..Hα-helixtrans-61.3-38.9176.2-70.1-23.3000112.4K32 F33 I54 T55 K56 I60 Y61 A62K32-N58 WeakPolarHBondContact CA-OD1 3.35Å; K32-N58 HydrophobicContact CG-CB 4.5Å; F33-N58 PolarHBondContact N-OD1 3.08Å; F33-N58 PolarHBondContact O-ND2 2.89Å; I54-N58 WeakPolarHBondContact O-CB 3.4Å; I54-N58 PolarHBondContact O-N 3.07Å; I54-N58 PolarHBondContact O-ND2 3.4Å; T55-N58 WeakPolarHBondContact O-CB 3.37Å; T55-N58 PolarHBondContact O-N 3.4Å; K56-N58 VanDerWaalsContact C-N 3.35Å; N58-I60 VanDerWaalsContact C-N 3.34Å; N58-I60 PolarHBondContact O-N 3.03Å; N58-Y61 PolarHBondContact O-N 3.36Å; N58-A62 WeakPolarHBondContact O-CB 3.28Å; N58-A62 PolarHBondContact O-N 3.3Å
59E96.7Very high95Very high85 Ų8555.1 Ų55.140%0.39728%0.283SS..Hα-helixtrans-60.6-41.6174.7-72.7175.3-17200112.4T55 K56 L57 A62 K63T55-E59 WeakPolarHBondContact O-CG 3.38Å; T55-E59 PolarHBondContact O-N 3.48Å; K56-E59 VanDerWaalsContact CD-OE2 3.26Å; K56-E59 WeakPolarHBondContact CD-OE2 3.41Å; K56-E59 IonicContact NZ-OE2 3.1Å; K56-E59 PolarHBondContact NZ-OE2 2.94Å; K56-E59 WeakPolarHBondContact O-CB 3.48Å; K56-E59 PolarHBondContact O-N 2.67Å; L57-E59 VanDerWaalsContact C-N 3.34Å; L57-E59 PolarHBondContact O-N 3.34Å; E59-A62 PolarHBondContact O-N 2.85Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.43Å
60I96.7Very high94.8Very high19 Ų1959 Ų5910%0.09730%0.301CS..Hα-helixtrans-67.6-43.3-179.9-60165.2000109.7K56 L57 N58 K63 A64 Y96 F99 V100 Y103K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 2.84Å; K56-I60 VanDerWaalsContact O-N 3.14Å; L57-I60 PolarHBondContact O-N 3.36Å; N58-I60 VanDerWaalsContact C-N 3.34Å; N58-I60 PolarHBondContact O-N 3.03Å; I60-K63 WeakPolarHBondContact O-CB 3.35Å; I60-K63 PolarHBondContact O-N 2.94Å; I60-A64 PolarHBondContact O-N 2.9Å; I60-Y96 HydrophobicContact CG2-CD1 4.2Å; I60-F99 HydrophobicContact CG2-CB 4.3Å; I60-V100 HydrophobicContact CB-CG2 3.98Å; I60-V100 HydrophobicContact CG2-CG2 3.42Å; I60-V100 VanDerWaalsContact CG2-CG2 3.42Å; I60-Y103 HydrophobicContact CD1-CD1 4.25Å; I60-Y103 HydrophobicContact CD1-CG 4.15Å
61Y95.7Very high94.6Very high1 Ų159.7 Ų59.70%0.00431%0.306CS..Hα-helixtrans-64.2-41.1175.3-76.6-58.8000112.8V31 F33 L57 N58 K63 A64 E65 L97 V100 L127V31-Y61 HydrophobicContact CB-CD1 4.31Å; V31-Y61 HydrophobicContact CB-CG 4.14Å; V31-Y61 HydrophobicContact CG1-CD1 3.7Å; V31-Y61 HydrophobicContact CG1-CD2 3.69Å; V31-Y61 HydrophobicContact CG1-CE1 4.16Å; V31-Y61 HydrophobicContact CG1-CE2 4.14Å; V31-Y61 HydrophobicContact CG1-CG 3.44Å; V31-Y61 VanDerWaalsContact CG1-CG 3.44Å; F33-Y61 HydrophobicContact CD2-CD2 4.45Å; F33-Y61 HydrophobicContact CD2-CE2 4.33Å; F33-Y61 AromaticContact CE2-CD2 3.94Å; F33-Y61 HydrophobicContact CE2-CD2 3.94Å; F33-Y61 AromaticContact CE2-CE2 3.56Å; F33-Y61 HydrophobicContact CE2-CE2 3.56Å; L57-Y61 HydrophobicContact CD1-CD2 4.14Å; L57-Y61 HydrophobicContact CD1-CE2 3.54Å; L57-Y61 HydrophobicContact CD2-CE2 4.21Å; L57-Y61 HydrophobicContact CG-CD2 3.95Å; L57-Y61 HydrophobicContact CG-CE2 3.61Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.25Å; L57-Y61 PolarHBondContact O-N 3.16Å; L57-Y61 VanDerWaalsContact O-N 3.1Å; N58-Y61 PolarHBondContact O-N 3.36Å; Y61-K63 VanDerWaalsContact C-N 3.25Å; Y61-K63 PolarHBondContact O-N 3.11Å; Y61-A64 WeakPolarHBondContact O-CA 3.47Å; Y61-A64 VanDerWaalsContact O-CB 3.32Å; Y61-A64 WeakPolarHBondContact O-CB 3.47Å; Y61-A64 PolarHBondContact O-N 3.4Å; Y61-E65 PolarHBondContact O-N 2.93Å; Y61-L97 HydrophobicContact CE1-CD2 3.93Å; Y61-V100 HydrophobicContact CD1-CG2 4.37Å; Y61-V100 HydrophobicContact CE1-CG2 4.02Å; Y61-V100 HydrophobicContact CE2-CG1 4.32Å; Y61-V100 HydrophobicContact CE2-CG2 4.32Å; Y61-L127 HydrophobicContact CE1-CD2 3.66Å; Y61-L127 VanDerWaalsContact OH-CD2 3.31Å; Y61-L127 WeakPolarHBondContact OH-CD2 3.29Å
62A94.7Very high94.4Very high59 Ų5961.7 Ų61.749%0.48832%0.315SS..Hα-helixtrans-61-35.4174.700000112.2N58 E59 K66N58-A62 WeakPolarHBondContact O-CB 3.28Å; N58-A62 PolarHBondContact O-N 3.3Å; E59-A62 PolarHBondContact O-N 2.85Å; A62-K66 PolarHBondContact O-N 3.44Å
63K94.2Very high94.2Very high106 Ų10661.1 Ų61.146%0.46132%0.317SS..Hα-helixtrans-70-36.8172.2-71.1175.2-176.9-177.90112.4E59 I60 Y61 E65 K66 Y96E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.43Å; I60-K63 WeakPolarHBondContact O-CB 3.35Å; I60-K63 PolarHBondContact O-N 2.94Å; Y61-K63 VanDerWaalsContact C-N 3.25Å; Y61-K63 PolarHBondContact O-N 3.11Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.32Å; K63-K66 WeakPolarHBondContact O-CB 3.25Å; K63-K66 PolarHBondContact O-N 2.98Å; K63-Y96 HydrophobicContact CB-CD1 4.03Å; K63-Y96 HydrophobicContact CB-CE1 3.54Å; K63-Y96 HydrophobicContact CD-CE1 4.2Å; K63-Y96 HydrophobicContact CG-CE1 4.49Å
64A93.5Very high94Very high6 Ų662.1 Ų62.15%0.0532%0.322CS..Hα-helixtrans-61.9-40.8176.500000112I60 Y61 K66 Y93 Y96I60-A64 PolarHBondContact O-N 2.9Å; Y61-A64 WeakPolarHBondContact O-CA 3.47Å; Y61-A64 VanDerWaalsContact O-CB 3.32Å; Y61-A64 WeakPolarHBondContact O-CB 3.47Å; Y61-A64 PolarHBondContact O-N 3.4Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 3.46Å; A64-Y93 HydrophobicContact CB-CD2 3.9Å; A64-Y93 HydrophobicContact CB-CE2 3.93Å; A64-Y96 VanDerWaalsContact CB-CB 3.48Å; A64-Y96 HydrophobicContact CB-CD2 4.24Å; A64-Y96 HydrophobicContact CB-CG 3.95Å
65E91.2Very high93.7Very high69 Ų6966.1 Ų66.132%0.32234%0.343SS..THydrogen-bonded Turntrans-79.9-9.4-179.9-67.9-175160.600113.9V30 V31 Y61 K63 I67 Y93V30-E65 VanDerWaalsContact CA-OE2 3.26Å; V30-E65 WeakPolarHBondContact CA-OE2 3.37Å; V30-E65 WeakPolarHBondContact CB-OE2 3.37Å; V30-E65 WeakPolarHBondContact CG1-OE2 3.44Å; V31-E65 WeakPolarHBondContact CB-OE1 3.34Å; V31-E65 WeakPolarHBondContact CG2-OE1 3.35Å; V31-E65 VanDerWaalsContact N-CD 3.34Å; V31-E65 PolarHBondContact N-OE1 3.06Å; V31-E65 PolarHBondContact N-OE2 3.08Å; V31-E65 VanDerWaalsContact N-OE2 3.12Å; Y61-E65 PolarHBondContact O-N 2.93Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.32Å; E65-I67 PolarHBondContact O-N 2.91Å; E65-Y93 HydrophobicContact CG-CE2 4.38Å
66K92.3Very high93.5Very high143 Ų14366.5 Ų66.562%0.62235%0.345SS*.  trans-67.1120.4179.6-173.2179179.6-1790110.4A62 K63 A64 T68 Q92A62-K66 PolarHBondContact O-N 3.44Å; K63-K66 WeakPolarHBondContact O-CB 3.25Å; K63-K66 PolarHBondContact O-N 2.98Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 3.46Å; K66-T68 PolarHBondContact O-N 2.82Å; K66-Q92 PolarHBondContact O-NE2 2.9Å
67I91.3Very high93.3Very high139 Ų13966.3 Ų66.371%0.71335%0.347SS*.  trans-70.4117.4172.3-56.1173.7000108.9E65 V72E65-I67 PolarHBondContact O-N 2.91Å; I67-V72 HydrophobicContact CG2-CG2 3.78Å
68T92.5Very high93Very high41 Ų4166.2 Ų66.225%0.25235%0.347SS..  trans-116.3162.3173.569.10000109.9K66 E70 S71 V72 Q92K66-T68 PolarHBondContact O-N 2.82Å; T68-E70 PolarHBondContact O-N 3.2Å; T68-E70 PolarHBondContact OG1-N 2.94Å; T68-S71 PolarHBondContact N-OG 3.5Å; T68-S71 PolarHBondContact O-N 2.94Å; T68-S71 VanDerWaalsContact O-N 3.15Å; T68-S71 PolarHBondContact O-OG 3.31Å; T68-S71 PolarHBondContact OG1-N 3.3Å; T68-S71 PolarHBondContact OG1-OG 3.44Å; T68-V72 WeakPolarHBondContact O-CG2 3.3Å; T68-V72 PolarHBondContact O-N 3.37Å; T68-Q92 PolarHBondContact OG1-OE1 3.5Å
69C91.9Very high92.8Very high101 Ų10172.7 Ų72.768%0.68238%0.375SS*.Hα-helixtrans-55-40.7173-62.30000111.5V72 F73C69-V72 WeakPolarHBondContact O-CB 3.25Å; C69-V72 PolarHBondContact O-N 2.83Å; C69-F73 WeakPolarHBondContact O-CD2 3.26Å; C69-F73 PolarHBondContact O-N 2.97Å
70E90.4Very high92.7Very high130 Ų13076.3 Ų76.361%0.60739%0.389SS*.Hα-helixtrans-58.3-49.8175.5-62.6-177.9169.600111.7T68 V72 F73 E74T68-E70 PolarHBondContact O-N 3.2Å; T68-E70 PolarHBondContact OG1-N 2.94Å; E70-V72 PolarHBondContact O-N 3.37Å; E70-F73 PolarHBondContact O-N 2.66Å; E70-F73 VanDerWaalsContact O-N 3.12Å; E70-E74 WeakPolarHBondContact O-CG 3.48Å; E70-E74 PolarHBondContact O-N 3.32Å
71S90.9Very high92.6Very high15 Ų1577 Ų7711%0.10540%0.395CS..Hα-helixtrans-61.4-32.8178.271.30000112.9T68 N75T68-S71 PolarHBondContact N-OG 3.5Å; T68-S71 PolarHBondContact O-N 2.94Å; T68-S71 VanDerWaalsContact O-N 3.15Å; T68-S71 PolarHBondContact O-OG 3.31Å; T68-S71 PolarHBondContact OG1-N 3.3Å; T68-S71 PolarHBondContact OG1-OG 3.44Å; S71-N75 WeakPolarHBondContact O-CB 3.42Å; S71-N75 VanDerWaalsContact O-CG 3.24Å; S71-N75 PolarHBondContact O-N 3.08Å; S71-N75 PolarHBondContact O-ND2 3.36Å; S71-N75 VanDerWaalsContact O-ND2 3.08Å
72V92.7Very high92.4Very high69 Ų6981.9 Ų81.942%0.41843%0.429SS..Hα-helixtrans-67.9-47174.7174.40000110.1I67 T68 C69 E70 N75 V76I67-V72 HydrophobicContact CG2-CG2 3.78Å; T68-V72 WeakPolarHBondContact O-CG2 3.3Å; T68-V72 PolarHBondContact O-N 3.37Å; C69-V72 WeakPolarHBondContact O-CB 3.25Å; C69-V72 PolarHBondContact O-N 2.83Å; E70-V72 PolarHBondContact O-N 3.37Å; V72-N75 PolarHBondContact O-N 3.21Å; V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 3.02Å
73F92.9Very high92.1Very high136 Ų13685.7 Ų85.760%0.59643%0.431SS*.Hα-helixtrans-62.6-42.3176-78.3-67.2000112.5C69 E70 N75 V76 I77C69-F73 WeakPolarHBondContact O-CD2 3.26Å; C69-F73 PolarHBondContact O-N 2.97Å; E70-F73 PolarHBondContact O-N 2.66Å; E70-F73 VanDerWaalsContact O-N 3.12Å; F73-N75 VanDerWaalsContact C-N 3.29Å; F73-N75 PolarHBondContact O-N 3.41Å; F73-V76 PolarHBondContact O-N 2.95Å; F73-I77 WeakPolarHBondContact O-CB 3.39Å; F73-I77 VanDerWaalsContact O-CG1 3.28Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 3.24Å
74E91.2Very high92Very high23 Ų2386.2 Ų86.211%0.10744%0.438CS..Hα-helixtrans-57-43.4174.6-73.3175.2163.700111.1E70 G78 F91 Q92 K95E70-E74 WeakPolarHBondContact O-CG 3.48Å; E70-E74 PolarHBondContact O-N 3.32Å; E74-G78 PolarHBondContact O-N 2.95Å; E74-F91 HydrophobicContact CB-CD1 3.95Å; E74-F91 HydrophobicContact CB-CE1 4.07Å; E74-F91 HydrophobicContact CB-CG 4.34Å; E74-F91 WeakPolarHBondContact O-CE1 3.47Å; E74-F91 WeakPolarHBondContact O-CZ 3.18Å; E74-Q92 VanDerWaalsContact CD-N 3.29Å; E74-Q92 PolarHBondContact OE1-N 3.48Å; E74-Q92 VanDerWaalsContact OE1-N 3.1Å; E74-Q92 WeakPolarHBondContact OE2-CB 3.26Å; E74-Q92 PolarHBondContact OE2-N 2.79Å; E74-K95 IonicContact OE1-NZ 2.87Å; E74-K95 PolarHBondContact OE1-NZ 3.06Å
75N90.9Very high91.7Very high87 Ų8786.7 Ų86.747%0.46544%0.443SS..Hα-helixtrans-67.7-39.7176.6-73.2-31.2000112.9S71 V72 F73 G78 F79S71-N75 WeakPolarHBondContact O-CB 3.42Å; S71-N75 VanDerWaalsContact O-CG 3.24Å; S71-N75 PolarHBondContact O-N 3.08Å; S71-N75 PolarHBondContact O-ND2 3.36Å; S71-N75 VanDerWaalsContact O-ND2 3.08Å; V72-N75 PolarHBondContact O-N 3.21Å; F73-N75 VanDerWaalsContact C-N 3.29Å; F73-N75 PolarHBondContact O-N 3.41Å; N75-G78 PolarHBondContact O-N 3.26Å; N75-F79 PolarHBondContact O-N 3.01Å
76V93.4Very high91.3Very high68 Ų6887.6 Ų87.641%0.41245%0.447SS..Hα-helixtrans-64.2-45.8175.9171.90000110.8V72 F73 G78 F79 F80V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 3.02Å; F73-V76 PolarHBondContact O-N 2.95Å; V76-G78 VanDerWaalsContact C-N 3.33Å; V76-F79 WeakPolarHBondContact O-CB 3.5Å; V76-F79 PolarHBondContact O-N 3.38Å; V76-F80 HydrophobicContact CG1-CD2 3.78Å; V76-F80 HydrophobicContact CG1-CE2 3.65Å; V76-F80 WeakPolarHBondContact O-CD2 3.45Å; V76-F80 PolarHBondContact O-N 2.89Å; V76-F80 VanDerWaalsContact O-N 3.08Å
77I92Very high91.1Very high77 Ų7787.7 Ų87.740%0.39545%0.453SS..Hα-helixtrans-62.1-43.2174.1-68.1166.7000110.2F73 F79 F80 S81 A85F73-I77 WeakPolarHBondContact O-CB 3.39Å; F73-I77 VanDerWaalsContact O-CG1 3.28Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 3.24Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 2.98Å; I77-F80 PolarHBondContact O-N 3.02Å; I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 2.97Å; I77-S81 PolarHBondContact O-OG 2.81Å; I77-A85 HydrophobicContact CG2-CB 3.66Å
78G91.6Very high90.9Very high0 Ų086.8 Ų86.80%046%0.458CS..Hα-helixtrans-56.9-44.3175.400000112E74 N75 V76 C82 Y83E74-G78 PolarHBondContact O-N 2.95Å; N75-G78 PolarHBondContact O-N 3.26Å; V76-G78 VanDerWaalsContact C-N 3.33Å; G78-C82 CarbonylContact O-C 3.56Å; G78-C82 WeakPolarHBondContact O-CA 3.44Å; G78-C82 PolarHBondContact O-N 2.83Å; G78-C82 VanDerWaalsContact O-N 3.07Å; G78-Y83 PolarHBondContact O-N 3.26Å
79F92.5Very high90.6Very high153 Ų15388.6 Ų88.667%0.67147%0.465SS*.Hα-helixtrans-61.1-52.9175.8179.2-100.1000112.3N75 V76 I77 S81 C82N75-F79 PolarHBondContact O-N 3.01Å; V76-F79 WeakPolarHBondContact O-CB 3.5Å; V76-F79 PolarHBondContact O-N 3.38Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 2.98Å; F79-S81 VanDerWaalsContact C-N 3.32Å; F79-S81 PolarHBondContact O-N 3.12Å; F79-C82 PolarHBondContact O-N 3.14Å
80F94.7Very high90.3Very high161 Ų16186.4 Ų86.471%0.70645%0.449SS*.Hα-helixtrans-69.9-27.6-177.6-73.8-64.7000114V76 I77V76-F80 HydrophobicContact CG1-CD2 3.78Å; V76-F80 HydrophobicContact CG1-CE2 3.65Å; V76-F80 WeakPolarHBondContact O-CD2 3.45Å; V76-F80 PolarHBondContact O-N 2.89Å; V76-F80 VanDerWaalsContact O-N 3.08Å; I77-F80 PolarHBondContact O-N 3.02Å
81S93.4Very high90.3Very high32 Ų3281.1 Ų81.122%0.22442%0.424CS..THydrogen-bonded Turntrans-93.22.8178.466.80000113.9I77 F79 Y83 L84 A85I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 2.97Å; I77-S81 PolarHBondContact O-OG 2.81Å; F79-S81 VanDerWaalsContact C-N 3.32Å; F79-S81 PolarHBondContact O-N 3.12Å; S81-Y83 PolarHBondContact O-N 3.09Å; S81-L84 WeakPolarHBondContact O-CB 3.42Å; S81-L84 VanDerWaalsContact O-CG 3.27Å; S81-L84 WeakPolarHBondContact O-CG 3.3Å; S81-L84 PolarHBondContact O-N 3.22Å; S81-A85 VanDerWaalsContact OG-CB 3.23Å; S81-A85 WeakPolarHBondContact OG-CB 3.35Å; S81-A85 PolarHBondContact OG-N 3.43Å
82C93.1Very high90.3Very high104 Ų10481 Ų8170%0.70342%0.422SS*.THydrogen-bonded Turntrans52.238.8-170.1-60.10000112.8G78 F79 L84G78-C82 CarbonylContact O-C 3.56Å; G78-C82 WeakPolarHBondContact O-CA 3.44Å; G78-C82 PolarHBondContact O-N 2.83Å; G78-C82 VanDerWaalsContact O-N 3.07Å; F79-C82 PolarHBondContact O-N 3.14Å; C82-L84 PolarHBondContact O-N 2.92Å
83Y88Confident90.2Very high140 Ų14081.5 Ų81.555%0.54942%0.417SS..THydrogen-bonded Turntrans58.78.5-173.2-63-91.7000115.1G78 S81 A85 H86 F91G78-Y83 PolarHBondContact O-N 3.26Å; S81-Y83 PolarHBondContact O-N 3.09Å; Y83-A85 PolarHBondContact O-N 2.94Å; Y83-H86 WeakPolarHBondContact O-CB 3.49Å; Y83-H86 PolarHBondContact O-N 3.23Å; Y83-F91 HydrophobicContact CD1-CE1 4.33Å; Y83-F91 HydrophobicContact CD1-CZ 4.18Å; Y83-F91 HydrophobicContact CE1-CE1 4.26Å
84L91.9Very high90.1Very high116 Ų11677.5 Ų77.561%0.60740%0.401SS*.G310 helixtrans-63.7-27.4173.4-63.4176.2000111.8S81 C82 H86 L87S81-L84 WeakPolarHBondContact O-CB 3.42Å; S81-L84 VanDerWaalsContact O-CG 3.27Å; S81-L84 WeakPolarHBondContact O-CG 3.3Å; S81-L84 PolarHBondContact O-N 3.22Å; C82-L84 PolarHBondContact O-N 2.92Å; L84-H86 PolarHBondContact O-N 3.4Å; L84-H86 VanDerWaalsContact O-N 3.14Å; L84-L87 HydrophobicContact CD2-CD1 4.4Å; L84-L87 VanDerWaalsContact O-CB 3.3Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 WeakPolarHBondContact O-CG 3.31Å; L84-L87 PolarHBondContact O-N 3.1Å
85A87.2Confident90.2Very high17 Ų1780.3 Ų80.314%0.1441%0.413CS..G310 helixtrans-58.4-24.6172.100000112.7I77 S81 Y83 L87 C88 I89I77-A85 HydrophobicContact CG2-CB 3.66Å; S81-A85 VanDerWaalsContact OG-CB 3.23Å; S81-A85 WeakPolarHBondContact OG-CB 3.35Å; S81-A85 PolarHBondContact OG-N 3.43Å; Y83-A85 PolarHBondContact O-N 2.94Å; A85-L87 PolarHBondContact O-N 3.47Å; A85-C88 PolarHBondContact O-N 3.22Å; A85-I89 HydrophobicContact CB-CD1 4.45Å; A85-I89 WeakPolarHBondContact O-CB 3.45Å; A85-I89 PolarHBondContact O-N 2.87Å
86H83.4Confident90.3Very high87 Ų8779.3 Ų79.340%0.40340%0.404SS..G310 helixtrans-63.1-21176.1-16868.8000113.1Y83 L84 C88 I89 F91 D94Y83-H86 WeakPolarHBondContact O-CB 3.49Å; Y83-H86 PolarHBondContact O-N 3.23Å; L84-H86 PolarHBondContact O-N 3.4Å; L84-H86 VanDerWaalsContact O-N 3.14Å; H86-C88 PolarHBondContact O-N 3.44Å; H86-I89 WeakPolarHBondContact CA-O 3.46Å; H86-F91 HydrophobicContact CB-CD2 4.5Å; H86-F91 HydrophobicContact CB-CE2 4.01Å; H86-F91 AromaticContact ND1-CD2 3.3Å; H86-F91 VanDerWaalsContact ND1-CD2 3.3Å; H86-F91 WeakPolarHBondContact ND1-CD2 3.4Å; H86-F91 AromaticContact ND1-CE2 3.69Å; H86-D94 IonicContact CE1-OD2 2.75Å; H86-D94 PolarHBondContact CE1-OD2 3.47Å; H86-D94 IonicContact ND1-OD2 3.3Å; H86-D94 IonicContact NE2-OD2 3.94Å
87L87.9Confident90.4Very high146 Ų14677 Ų7776%0.76439%0.389SS*.G310 helixtrans-67.1-26.5173.2-59.1177.4000112.3L84 A85L84-L87 HydrophobicContact CD2-CD1 4.4Å; L84-L87 VanDerWaalsContact O-CB 3.3Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 WeakPolarHBondContact O-CG 3.31Å; L84-L87 PolarHBondContact O-N 3.1Å; A85-L87 PolarHBondContact O-N 3.47Å
88C87.1Confident90.5Very high120 Ų12080.9 Ų80.981%0.81140%0.398SS*.THydrogen-bonded Turntrans-112.2-24.2-178.1-60.20000113.1A85 H86A85-C88 PolarHBondContact O-N 3.22Å; H86-C88 PolarHBondContact O-N 3.44Å
89I84.9Confident90.6Very high79 Ų7986.5 Ų86.541%0.40542%0.423SS..  trans-123.9128.3-172.2-54.1177.6000109.7A85 H86A85-I89 HydrophobicContact CB-CD1 4.45Å; A85-I89 WeakPolarHBondContact O-CB 3.45Å; A85-I89 PolarHBondContact O-N 2.87Å; H86-I89 WeakPolarHBondContact CA-O 3.46Å
90T86.6Confident90.8Very high55 Ų5579.2 Ų79.234%0.33739%0.391SS..  trans-86.4127.1171.9-52.40000110.5D94 K95T90-D94 HydrophobicContact CG2-CB 3.91Å; T90-K95 HydrophobicContact CG2-CG 3.91Å; T90-K95 WeakPolarHBondContact O-CE 3.47Å; T90-K95 PolarHBondContact O-NZ 3.38Å
91F89.8Confident90.8Very high19 Ų1973.5 Ų73.58%0.08337%0.371CS..  trans-76155.8-179.6-76.9-135000110.9E74 Y83 H86 Y93 D94 K95E74-F91 HydrophobicContact CB-CD1 3.95Å; E74-F91 HydrophobicContact CB-CE1 4.07Å; E74-F91 HydrophobicContact CB-CG 4.34Å; E74-F91 WeakPolarHBondContact O-CE1 3.47Å; E74-F91 WeakPolarHBondContact O-CZ 3.18Å; Y83-F91 HydrophobicContact CD1-CE1 4.33Å; Y83-F91 HydrophobicContact CD1-CZ 4.18Å; Y83-F91 HydrophobicContact CE1-CE1 4.26Å; H86-F91 HydrophobicContact CB-CD2 4.5Å; H86-F91 HydrophobicContact CB-CE2 4.01Å; H86-F91 AromaticContact ND1-CD2 3.3Å; H86-F91 VanDerWaalsContact ND1-CD2 3.3Å; H86-F91 WeakPolarHBondContact ND1-CD2 3.4Å; H86-F91 AromaticContact ND1-CE2 3.69Å; F91-Y93 VanDerWaalsContact C-N 3.28Å; F91-Y93 PolarHBondContact O-N 2.9Å; F91-D94 PolarHBondContact O-N 3.44Å; F91-K95 WeakPolarHBondContact O-CG 3.48Å; F91-K95 PolarHBondContact O-N 3.12Å
92Q91.3Very high90.9Very high12 Ų1276.8 Ų76.86%0.05639%0.386CS..Hα-helixtrans-51.7-47.4179.2-178.9-172.6-66.200111.5K66 T68 E74 D94 K95 Y96K66-Q92 PolarHBondContact O-NE2 2.9Å; T68-Q92 PolarHBondContact OG1-OE1 3.5Å; E74-Q92 VanDerWaalsContact CD-N 3.29Å; E74-Q92 PolarHBondContact OE1-N 3.48Å; E74-Q92 VanDerWaalsContact OE1-N 3.1Å; E74-Q92 WeakPolarHBondContact OE2-CB 3.26Å; E74-Q92 PolarHBondContact OE2-N 2.79Å; Q92-D94 VanDerWaalsContact C-N 3.33Å; Q92-D94 PolarHBondContact O-N 3.34Å; Q92-K95 WeakPolarHBondContact O-CB 3.42Å; Q92-K95 PolarHBondContact O-N 3.13Å; Q92-K95 VanDerWaalsContact O-N 3.15Å; Q92-Y96 HydrophobicContact CG-CD2 3.83Å; Q92-Y96 HydrophobicContact CG-CE2 3.61Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.43Å; Q92-Y96 PolarHBondContact O-N 3.34Å; Q92-Y96 VanDerWaalsContact O-N 3.12Å
93Y90.7Very high91Very high80 Ų8073.4 Ų73.431%0.31436%0.359SS..Hα-helixtrans-58.2-47.2-177.9-167.1-99.5000111.1A64 E65 F91 K95 Y96 L97 L127A64-Y93 HydrophobicContact CB-CD2 3.9Å; A64-Y93 HydrophobicContact CB-CE2 3.93Å; E65-Y93 HydrophobicContact CG-CE2 4.38Å; F91-Y93 VanDerWaalsContact C-N 3.28Å; F91-Y93 PolarHBondContact O-N 2.9Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 3.15Å; Y93-Y96 PolarHBondContact O-N 2.95Å; Y93-Y96 VanDerWaalsContact O-N 3.13Å; Y93-L97 HydrophobicContact CD1-CD1 3.51Å; Y93-L97 HydrophobicContact CD1-CG 3.96Å; Y93-L97 HydrophobicContact CE1-CD1 3.43Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.43Å; Y93-L97 HydrophobicContact CE1-CD2 3.96Å; Y93-L97 HydrophobicContact CE1-CG 3.82Å; Y93-L97 WeakPolarHBondContact O-CG 3.5Å; Y93-L97 PolarHBondContact O-N 2.92Å; Y93-L127 WeakPolarHBondContact OH-CD1 3.47Å
94D90.8Very high91.4Very high51 Ų5167 Ų6727%0.27333%0.334SS..Hα-helixtrans-64.7-34.6177.8-60.2-53.9000113.1H86 T90 F91 Q92 Y96 L97 R98H86-D94 IonicContact CE1-OD2 2.75Å; H86-D94 PolarHBondContact CE1-OD2 3.47Å; H86-D94 IonicContact ND1-OD2 3.3Å; H86-D94 IonicContact NE2-OD2 3.94Å; T90-D94 HydrophobicContact CG2-CB 3.91Å; F91-D94 PolarHBondContact O-N 3.44Å; Q92-D94 VanDerWaalsContact C-N 3.33Å; Q92-D94 PolarHBondContact O-N 3.34Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 2.8Å; D94-L97 PolarHBondContact O-N 3.09Å; D94-R98 WeakPolarHBondContact O-CG 3.49Å; D94-R98 PolarHBondContact O-N 3.1Å
95K92.3Very high91.5Very high83 Ų8364 Ų6436%0.36132%0.316SS..Hα-helixtrans-58.6-45.7172.8-65.6169.1-171.8145.90110.6E74 T90 F91 Q92 Y93 R98 F99E74-K95 IonicContact OE1-NZ 2.87Å; E74-K95 PolarHBondContact OE1-NZ 3.06Å; T90-K95 HydrophobicContact CG2-CG 3.91Å; T90-K95 WeakPolarHBondContact O-CE 3.47Å; T90-K95 PolarHBondContact O-NZ 3.38Å; F91-K95 WeakPolarHBondContact O-CG 3.48Å; F91-K95 PolarHBondContact O-N 3.12Å; Q92-K95 WeakPolarHBondContact O-CB 3.42Å; Q92-K95 PolarHBondContact O-N 3.13Å; Q92-K95 VanDerWaalsContact O-N 3.15Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 3.15Å; K95-R98 WeakPolarHBondContact O-CB 3.47Å; K95-R98 PolarHBondContact O-N 3.18Å; K95-F99 PolarHBondContact O-N 3.09Å
96Y94.8Very high91.9Very high66 Ų6667.1 Ų67.126%0.25933%0.328SS..Hα-helixtrans-70.4-35.3177.9-77.1-76.7000113.3I60 K63 A64 Q92 Y93 D94 R98 F99 V100I60-Y96 HydrophobicContact CG2-CD1 4.2Å; K63-Y96 HydrophobicContact CB-CD1 4.03Å; K63-Y96 HydrophobicContact CB-CE1 3.54Å; K63-Y96 HydrophobicContact CD-CE1 4.2Å; K63-Y96 HydrophobicContact CG-CE1 4.49Å; A64-Y96 VanDerWaalsContact CB-CB 3.48Å; A64-Y96 HydrophobicContact CB-CD2 4.24Å; A64-Y96 HydrophobicContact CB-CG 3.95Å; Q92-Y96 HydrophobicContact CG-CD2 3.83Å; Q92-Y96 HydrophobicContact CG-CE2 3.61Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.43Å; Q92-Y96 PolarHBondContact O-N 3.34Å; Q92-Y96 VanDerWaalsContact O-N 3.12Å; Y93-Y96 PolarHBondContact O-N 2.95Å; Y93-Y96 VanDerWaalsContact O-N 3.13Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 2.8Å; Y96-R98 VanDerWaalsContact C-N 3.28Å; Y96-R98 PolarHBondContact O-N 3.04Å; Y96-F99 AromaticContact CD1-CD2 3.88Å; Y96-F99 HydrophobicContact CD1-CD2 3.88Å; Y96-F99 HydrophobicContact CD1-CE2 4.46Å; Y96-F99 HydrophobicContact CE1-CD2 4.32Å; Y96-F99 HydrophobicContact CG-CD2 4.47Å; Y96-F99 WeakPolarHBondContact O-CA 3.33Å; Y96-F99 WeakPolarHBondContact O-CB 3.23Å; Y96-F99 PolarHBondContact O-N 2.81Å; Y96-F99 VanDerWaalsContact O-N 3.08Å; Y96-V100 PolarHBondContact O-N 3.4Å
97L94.1Very high92.4Very high19 Ų1963.7 Ų63.710%0.09931%0.312CS..Hα-helixtrans-61-37.7173.1-68175.1000111.9Y61 Y93 D94 F99 V100 S101 I123Y61-L97 HydrophobicContact CE1-CD2 3.93Å; Y93-L97 HydrophobicContact CD1-CD1 3.51Å; Y93-L97 HydrophobicContact CD1-CG 3.96Å; Y93-L97 HydrophobicContact CE1-CD1 3.43Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.43Å; Y93-L97 HydrophobicContact CE1-CD2 3.96Å; Y93-L97 HydrophobicContact CE1-CG 3.82Å; Y93-L97 WeakPolarHBondContact O-CG 3.5Å; Y93-L97 PolarHBondContact O-N 2.92Å; D94-L97 PolarHBondContact O-N 3.09Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3Å; L97-V100 WeakPolarHBondContact O-CB 3.38Å; L97-V100 PolarHBondContact O-N 3.2Å; L97-S101 PolarHBondContact O-N 3.03Å; L97-I123 HydrophobicContact CB-CD1 4.25Å; L97-I123 HydrophobicContact CD1-CD1 3.42Å; L97-I123 VanDerWaalsContact CD1-CD1 3.42Å; L97-I123 HydrophobicContact CD2-CD1 4.03Å; L97-I123 HydrophobicContact CG-CD1 4.1Å
98R93.4Very high92.7Very high159 Ų15956.9 Ų56.960%0.628%0.276SS*.Hα-helixtrans-63.7-38.1172.1-68.3171.1-171.6-89.12.3112.1D94 K95 Y96 S101 N102D94-R98 WeakPolarHBondContact O-CG 3.49Å; D94-R98 PolarHBondContact O-N 3.1Å; K95-R98 WeakPolarHBondContact O-CB 3.47Å; K95-R98 PolarHBondContact O-N 3.18Å; Y96-R98 VanDerWaalsContact C-N 3.28Å; Y96-R98 PolarHBondContact O-N 3.04Å; R98-S101 PolarHBondContact O-N 3.05Å; R98-N102 WeakPolarHBondContact O-CB 3.11Å; R98-N102 VanDerWaalsContact O-CG 3.31Å; R98-N102 PolarHBondContact O-N 3.05Å; R98-N102 PolarHBondContact O-ND2 3.48Å
99F95.2Very high92.9Very high117 Ų11756.1 Ų56.151%0.51326%0.261SS..Hα-helixtrans-64-39.8173.3-65.2-35.6000112.4I60 K95 Y96 L97 Y103I60-F99 HydrophobicContact CG2-CB 4.3Å; K95-F99 PolarHBondContact O-N 3.09Å; Y96-F99 AromaticContact CD1-CD2 3.88Å; Y96-F99 HydrophobicContact CD1-CD2 3.88Å; Y96-F99 HydrophobicContact CD1-CE2 4.46Å; Y96-F99 HydrophobicContact CE1-CD2 4.32Å; Y96-F99 HydrophobicContact CG-CD2 4.47Å; Y96-F99 WeakPolarHBondContact O-CA 3.33Å; Y96-F99 WeakPolarHBondContact O-CB 3.23Å; Y96-F99 PolarHBondContact O-N 2.81Å; Y96-F99 VanDerWaalsContact O-N 3.08Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 3Å; F99-Y103 VanDerWaalsContact O-CB 3.25Å; F99-Y103 WeakPolarHBondContact O-CB 3.38Å; F99-Y103 PolarHBondContact O-N 3.18Å
100V96.1Very high93.3Very high1 Ų158.8 Ų58.81%0.00627%0.27CS..Hα-helixtrans-60.3-49.4173171.80000110.9L57 I60 Y61 Y96 L97 N102 Y103 L104L57-V100 HydrophobicContact CD1-CB 4.41Å; L57-V100 HydrophobicContact CD1-CG1 3.45Å; L57-V100 VanDerWaalsContact CD1-CG1 3.45Å; L57-V100 HydrophobicContact CD1-CG2 4.24Å; I60-V100 HydrophobicContact CB-CG2 3.98Å; I60-V100 HydrophobicContact CG2-CG2 3.42Å; I60-V100 VanDerWaalsContact CG2-CG2 3.42Å; Y61-V100 HydrophobicContact CD1-CG2 4.37Å; Y61-V100 HydrophobicContact CE1-CG2 4.02Å; Y61-V100 HydrophobicContact CE2-CG1 4.32Å; Y61-V100 HydrophobicContact CE2-CG2 4.32Å; Y96-V100 PolarHBondContact O-N 3.4Å; L97-V100 WeakPolarHBondContact O-CB 3.38Å; L97-V100 PolarHBondContact O-N 3.2Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.33Å; V100-Y103 WeakPolarHBondContact O-CB 3.4Å; V100-Y103 PolarHBondContact O-N 2.75Å; V100-Y103 VanDerWaalsContact O-N 3.16Å; V100-L104 HydrophobicContact CG1-CD1 3.79Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 WeakPolarHBondContact O-CG 3.17Å; V100-L104 PolarHBondContact O-N 2.65Å
101S94.7Very high93.6Very high41 Ų4156.6 Ų56.629%0.28726%0.256SS..Hα-helixtrans-58.9-45.5-179.3-169.20000111.8L97 R98 L104 K105 D121L97-S101 PolarHBondContact O-N 3.03Å; R98-S101 PolarHBondContact O-N 3.05Å; S101-L104 PolarHBondContact O-N 3.01Å; S101-K105 WeakPolarHBondContact O-CB 3.26Å; S101-K105 PolarHBondContact O-N 3.3Å; S101-D121 WeakPolarHBondContact CA-OD2 3.48Å; S101-D121 WeakPolarHBondContact CB-OD2 3.46Å; S101-D121 PolarHBondContact OG-OD2 3.49Å
102N95.3Very high93.7Very high100 Ų10055.8 Ų55.854%0.53525%0.252SS..Hα-helixtrans-63.5-42.4175.3-71.8-25.3000112.4R98 V100 K105 E106R98-N102 WeakPolarHBondContact O-CB 3.11Å; R98-N102 VanDerWaalsContact O-CG 3.31Å; R98-N102 PolarHBondContact O-N 3.05Å; R98-N102 PolarHBondContact O-ND2 3.48Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.33Å; N102-K105 WeakPolarHBondContact O-CB 3.44Å; N102-K105 PolarHBondContact O-N 3.32Å; N102-E106 PolarHBondContact O-N 3.18Å
103Y96.6Very high93.7Very high34 Ų3457.2 Ų57.213%0.13326%0.26CS..Hα-helixtrans-62.1-47.7177.5176-109.4000111.4I53 K56 I60 F99 V100 K105 E106 Q107I53-Y103 WeakPolarHBondContact CA-OH 3.11Å; I53-Y103 HydrophobicContact CG2-CE1 4.1Å; K56-Y103 HydrophobicContact CB-CE1 4.16Å; K56-Y103 HydrophobicContact CB-CE2 4.46Å; K56-Y103 WeakPolarHBondContact CB-OH 3.33Å; K56-Y103 HydrophobicContact CG-CD2 4.49Å; K56-Y103 HydrophobicContact CG-CE1 4.14Å; K56-Y103 HydrophobicContact CG-CE2 3.85Å; I60-Y103 HydrophobicContact CD1-CD1 4.25Å; I60-Y103 HydrophobicContact CD1-CG 4.15Å; F99-Y103 VanDerWaalsContact O-CB 3.25Å; F99-Y103 WeakPolarHBondContact O-CB 3.38Å; F99-Y103 PolarHBondContact O-N 3.18Å; V100-Y103 WeakPolarHBondContact O-CB 3.4Å; V100-Y103 PolarHBondContact O-N 2.75Å; V100-Y103 VanDerWaalsContact O-N 3.16Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.01Å; Y103-E106 WeakPolarHBondContact O-CB 3.37Å; Y103-E106 PolarHBondContact O-N 3.1Å; Y103-Q107 HydrophobicContact CD1-CG 4.28Å; Y103-Q107 HydrophobicContact CD2-CG 4.26Å; Y103-Q107 HydrophobicContact CE1-CG 3.82Å; Y103-Q107 HydrophobicContact CE2-CG 3.79Å; Y103-Q107 HydrophobicContact CG-CG 4.48Å; Y103-Q107 WeakPolarHBondContact O-CG 3.3Å; Y103-Q107 PolarHBondContact O-N 3.29Å
104L95.3Very high93.6Very high6 Ų657.4 Ų57.43%0.03127%0.271CS..Hα-helixtrans-65.2-34.9177.9-71.1177000112.3L57 V100 S101 Q107 N108 V119 D121 P122L57-L104 HydrophobicContact CD1-CD1 4.43Å; L57-L104 HydrophobicContact CD1-CD2 4.32Å; L57-L104 HydrophobicContact CD1-CG 4.38Å; V100-L104 HydrophobicContact CG1-CD1 3.79Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 WeakPolarHBondContact O-CG 3.17Å; V100-L104 PolarHBondContact O-N 2.65Å; S101-L104 PolarHBondContact O-N 3.01Å; L104-Q107 PolarHBondContact O-N 2.98Å; L104-N108 VanDerWaalsContact O-CB 3.29Å; L104-N108 WeakPolarHBondContact O-CB 3.39Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 2.74Å; L104-N108 PolarHBondContact O-ND2 3.3Å; L104-V119 HydrophobicContact CD2-CG1 4.06Å; L104-D121 HydrophobicContact CD1-CB 4.28Å; L104-P122 VanDerWaalsContact CD1-CD 3.43Å; L104-P122 HydrophobicContact CD1-CG 4.5Å
105K93.8Very high93.6Very high53 Ų5359.1 Ų59.123%0.2328%0.277CS..Hα-helixtrans-59.4-49.2171.2178.5172.2-166.9-66.90111.8S101 N102 Y103 Q107 N108 E109S101-K105 WeakPolarHBondContact O-CB 3.26Å; S101-K105 PolarHBondContact O-N 3.3Å; N102-K105 WeakPolarHBondContact O-CB 3.44Å; N102-K105 PolarHBondContact O-N 3.32Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.01Å; K105-Q107 PolarHBondContact O-N 3.4Å; K105-N108 PolarHBondContact O-N 3Å; K105-E109 IonicContact NZ-OE1 3.09Å; K105-E109 PolarHBondContact NZ-OE1 2.97Å; K105-E109 WeakPolarHBondContact O-CG 3.18Å; K105-E109 PolarHBondContact O-N 2.65Å
106E95.2Very high93.4Very high82 Ų8255.5 Ų55.538%0.38326%0.263SS..Hα-helixtrans-61.7-43.5176.7-174.1-175.2174.100112N102 Y103 N108 E109 K110N102-E106 PolarHBondContact O-N 3.18Å; Y103-E106 WeakPolarHBondContact O-CB 3.37Å; Y103-E106 PolarHBondContact O-N 3.1Å; E106-N108 VanDerWaalsContact C-N 3.34Å; E106-N108 PolarHBondContact O-N 3.5Å; E106-E109 PolarHBondContact O-N 2.98Å; E106-K110 HydrophobicContact CG-CD 3.89Å; E106-K110 HydrophobicContact CG-CG 4.48Å; E106-K110 WeakPolarHBondContact O-CB 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.34Å; E106-K110 PolarHBondContact O-N 3.14Å; E106-K110 WeakPolarHBondContact OE1-CE 3.32Å; E106-K110 IonicContact OE1-NZ 2.67Å; E106-K110 PolarHBondContact OE1-NZ 3.32Å
107Q95.1Very high93.3Very high15 Ų1552.3 Ų52.37%0.0725%0.251CS..Hα-helixtrans-68-34177.8-62.1-43.5-67.900112.4I53 Y103 L104 K105 V111 F112I53-Q107 HydrophobicContact CG1-CG 4.38Å; I53-Q107 HydrophobicContact CG2-CG 4.06Å; Y103-Q107 HydrophobicContact CD1-CG 4.28Å; Y103-Q107 HydrophobicContact CD2-CG 4.26Å; Y103-Q107 HydrophobicContact CE1-CG 3.82Å; Y103-Q107 HydrophobicContact CE2-CG 3.79Å; Y103-Q107 HydrophobicContact CG-CG 4.48Å; Y103-Q107 WeakPolarHBondContact O-CG 3.3Å; Y103-Q107 PolarHBondContact O-N 3.29Å; L104-Q107 PolarHBondContact O-N 2.98Å; K105-Q107 PolarHBondContact O-N 3.4Å; Q107-V111 WeakPolarHBondContact O-CA 3.5Å; Q107-V111 WeakPolarHBondContact O-CB 3.35Å; Q107-V111 PolarHBondContact O-N 3.27Å; Q107-F112 HydrophobicContact CB-CD2 4.02Å; Q107-F112 HydrophobicContact CB-CE2 3.63Å; Q107-F112 WeakPolarHBondContact O-CD2 3.46Å; Q107-F112 PolarHBondContact O-N 2.97Å
108N93.7Very high93.2Very high2 Ų251.7 Ų51.71%0.01125%0.247CC..Iπ-helixtrans-62.4-48.2173.5-83.8-34.6000111.1L104 K105 E106 F112 I113 F118 V119L104-N108 VanDerWaalsContact O-CB 3.29Å; L104-N108 WeakPolarHBondContact O-CB 3.39Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 2.74Å; L104-N108 PolarHBondContact O-ND2 3.3Å; K105-N108 PolarHBondContact O-N 3Å; E106-N108 VanDerWaalsContact C-N 3.34Å; E106-N108 PolarHBondContact O-N 3.5Å; N108-F112 PolarHBondContact O-N 3.12Å; N108-F112 WeakPolarHBondContact OD1-CD2 3.3Å; N108-I113 HydrophobicContact CB-CD1 4.28Å; N108-I113 HydrophobicContact CB-CG1 4.49Å; N108-I113 VanDerWaalsContact O-CB 3.22Å; N108-I113 WeakPolarHBondContact O-CB 3.34Å; N108-I113 WeakPolarHBondContact O-CD1 3.18Å; N108-I113 WeakPolarHBondContact O-CG1 3.43Å; N108-I113 PolarHBondContact O-N 2.87Å; N108-F118 HydrophobicContact CB-CD2 4.5Å; N108-F118 HydrophobicContact CB-CE2 4.49Å; N108-V119 PolarHBondContact ND2-O 2.98Å; N108-V119 PolarHBondContact OD1-N 3.29Å
109E91.9Very high93.2Very high104 Ų10444.3 Ų44.349%0.48622%0.22SC..Iπ-helixtrans-65.4-42179.4-69.9171.8-172.800112.6K105 E106K105-E109 IonicContact NZ-OE1 3.09Å; K105-E109 PolarHBondContact NZ-OE1 2.97Å; K105-E109 WeakPolarHBondContact O-CG 3.18Å; K105-E109 PolarHBondContact O-N 2.65Å; E106-E109 PolarHBondContact O-N 2.98Å
110K92.5Very high93.1Very high136 Ų13638.9 Ų38.959%0.59120%0.196SC*.Iπ-helixtrans-86.7-34.9-173.2-68.1-176.8-179.3178.70114.7E106E106-K110 HydrophobicContact CG-CD 3.89Å; E106-K110 HydrophobicContact CG-CG 4.48Å; E106-K110 WeakPolarHBondContact O-CB 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.34Å; E106-K110 PolarHBondContact O-N 3.14Å; E106-K110 WeakPolarHBondContact OE1-CE 3.32Å; E106-K110 IonicContact OE1-NZ 2.67Å; E106-K110 PolarHBondContact OE1-NZ 3.32Å
111V93Very high92.9Very high8 Ų839.6 Ų39.65%0.04820%0.2CC..Iπ-helixtrans-121.3-57.1-167.9-177.30000111.1L45 E49 I53 Q107 H115L45-V111 HydrophobicContact CD1-CG1 3.57Å; E49-V111 HydrophobicContact CG-CG1 4.22Å; E49-V111 WeakPolarHBondContact OE1-CG2 3.29Å; I53-V111 HydrophobicContact CD1-CB 4.33Å; I53-V111 HydrophobicContact CD1-CG1 4.05Å; I53-V111 HydrophobicContact CD1-CG2 4.29Å; Q107-V111 WeakPolarHBondContact O-CA 3.5Å; Q107-V111 WeakPolarHBondContact O-CB 3.35Å; Q107-V111 PolarHBondContact O-N 3.27Å; V111-H115 PolarHBondContact O-N 3.06Å; V111-H115 PolarHBondContact O-ND1 3.27Å
112F92.3Very high92.9Very high2 Ų237.7 Ų37.71%0.00919%0.187CC..Iπ-helixtrans-74-47.5-167.9-58.3-63.2000113.4L45 I53 Q107 N108 H115 G116 L117 V119 F132L45-F112 HydrophobicContact CD2-CD1 4.4Å; L45-F112 HydrophobicContact CD2-CE1 3.8Å; I53-F112 HydrophobicContact CD1-CE1 4.38Å; I53-F112 HydrophobicContact CD1-CE2 4.38Å; I53-F112 HydrophobicContact CD1-CZ 3.84Å; I53-F112 HydrophobicContact CG2-CE2 4.32Å; I53-F112 HydrophobicContact CG2-CZ 3.98Å; Q107-F112 HydrophobicContact CB-CD2 4.02Å; Q107-F112 HydrophobicContact CB-CE2 3.63Å; Q107-F112 WeakPolarHBondContact O-CD2 3.46Å; Q107-F112 PolarHBondContact O-N 2.97Å; N108-F112 PolarHBondContact O-N 3.12Å; N108-F112 WeakPolarHBondContact OD1-CD2 3.3Å; F112-H115 CarbonylContact O-C 3.43Å; F112-H115 WeakPolarHBondContact O-CA 3.26Å; F112-H115 PolarHBondContact O-N 2.6Å; F112-G116 PolarHBondContact O-N 3.45Å; F112-L117 CarbonylContact C-O 3.47Å; F112-L117 HydrophobicContact CB-CB 4.01Å; F112-L117 WeakPolarHBondContact CB-O 3.06Å; F112-L117 HydrophobicContact CD1-CB 4.43Å; F112-L117 CarbonylContact O-C 3.53Å; F112-L117 WeakPolarHBondContact O-CA 3.13Å; F112-L117 WeakPolarHBondContact O-CB 3.43Å; F112-L117 PolarHBondContact O-N 3.03Å; F112-V119 HydrophobicContact CD1-CG2 3.93Å; F112-V119 HydrophobicContact CD2-CB 4.1Å; F112-V119 HydrophobicContact CD2-CG2 3.47Å; F112-V119 VanDerWaalsContact CD2-CG2 3.47Å; F112-V119 HydrophobicContact CE1-CG2 3.89Å; F112-V119 HydrophobicContact CE2-CB 4.12Å; F112-V119 HydrophobicContact CE2-CG2 3.42Å; F112-V119 VanDerWaalsContact CE2-CG2 3.42Å; F112-V119 HydrophobicContact CG-CG2 3.73Å; F112-V119 HydrophobicContact CZ-CG2 3.64Å; F112-F132 HydrophobicContact CD1-CE1 4.27Å; F112-F132 HydrophobicContact CE1-CD1 4.43Å; F112-F132 AromaticContact CE1-CE1 3.71Å; F112-F132 HydrophobicContact CE1-CE1 3.71Å; F112-F132 HydrophobicContact CZ-CE1 4.06Å
113I91.1Very high92.8Very high43 Ų4336.4 Ų36.422%0.22118%0.179CC..THydrogen-bonded Turntrans-60.4-45.8-177.7-67.7167.6000111.4N108 H115 G116 L117 F118 L135N108-I113 HydrophobicContact CB-CD1 4.28Å; N108-I113 HydrophobicContact CB-CG1 4.49Å; N108-I113 VanDerWaalsContact O-CB 3.22Å; N108-I113 WeakPolarHBondContact O-CB 3.34Å; N108-I113 WeakPolarHBondContact O-CD1 3.18Å; N108-I113 WeakPolarHBondContact O-CG1 3.43Å; N108-I113 PolarHBondContact O-N 2.87Å; I113-H115 PolarHBondContact O-N 3.15Å; I113-G116 PolarHBondContact O-N 3.15Å; I113-L117 WeakPolarHBondContact CA-O 3.23Å; I113-L117 PolarHBondContact N-O 3.46Å; I113-L117 VanDerWaalsContact N-O 3.14Å; I113-F118 HydrophobicContact CG1-CD2 4.44Å; I113-L135 HydrophobicContact CB-CD1 4.2Å; I113-L135 HydrophobicContact CG1-CD1 4.05Å; I113-L135 HydrophobicContact CG2-CD1 4.09Å
114P89.1Confident92.5Very high84 Ų8439.6 Ų39.655%0.54520%0.195SC..THydrogen-bonded Turntrans-56.9-31.4173.6-28.136.1000114.3G116P114-G116 VanDerWaalsContact C-N 3.3Å
115H90.2Very high92.2Very high86 Ų8643.1 Ų43.140%0.39821%0.208SC..THydrogen-bonded Turntrans-90.412.1176.9-66.496.1000113.4R44 V111 F112 I113 L117R44-H115 WeakPolarHBondContact O-CB 3.4Å; R44-H115 PolarHBondContact O-CD2 2.82Å; R44-H115 VanDerWaalsContact O-CG 3.26Å; V111-H115 PolarHBondContact O-N 3.06Å; V111-H115 PolarHBondContact O-ND1 3.27Å; F112-H115 CarbonylContact O-C 3.43Å; F112-H115 WeakPolarHBondContact O-CA 3.26Å; F112-H115 PolarHBondContact O-N 2.6Å; I113-H115 PolarHBondContact O-N 3.15Å; H115-L117 VanDerWaalsContact C-N 3.33Å; H115-L117 HydrophobicContact CB-CD1 4.48Å; H115-L117 PolarHBondContact O-N 3.12Å
116G89.2Confident92.1Very high7 Ų743 Ų437%0.07222%0.223CC..THydrogen-bonded Turntrans66.134.9179.600000113.1R44 F112 I113 P114 L135 C140R44-G116 PolarHBondContact NH1-O 3.29Å; F112-G116 PolarHBondContact O-N 3.45Å; I113-G116 PolarHBondContact O-N 3.15Å; P114-G116 VanDerWaalsContact C-N 3.3Å; G116-L135 PolarHBondContact O-N 3.34Å; G116-C140 VanDerWaalsContact CA-SG 3.53Å
117L91.5Very high92Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-127.6153.1179.7-64.3169.6000110L41 R44 F112 I113 H115 K133 K134 L135L41-L117 HydrophobicContact CD2-CD1 3.77Å; L41-L117 HydrophobicContact CD2-CD2 3.61Å; L41-L117 HydrophobicContact CD2-CG 4.36Å; R44-L117 HydrophobicContact CB-CD1 4.24Å; F112-L117 CarbonylContact C-O 3.47Å; F112-L117 HydrophobicContact CB-CB 4.01Å; F112-L117 WeakPolarHBondContact CB-O 3.06Å; F112-L117 HydrophobicContact CD1-CB 4.43Å; F112-L117 CarbonylContact O-C 3.53Å; F112-L117 WeakPolarHBondContact O-CA 3.13Å; F112-L117 WeakPolarHBondContact O-CB 3.43Å; F112-L117 PolarHBondContact O-N 3.03Å; I113-L117 WeakPolarHBondContact CA-O 3.23Å; I113-L117 PolarHBondContact N-O 3.46Å; I113-L117 VanDerWaalsContact N-O 3.14Å; H115-L117 VanDerWaalsContact C-N 3.33Å; H115-L117 HydrophobicContact CB-CD1 4.48Å; H115-L117 PolarHBondContact O-N 3.12Å; L117-K133 CarbonylContact C-O 3.55Å; L117-K133 WeakPolarHBondContact CA-O 3.09Å; L117-K134 HydrophobicContact CD2-CG 4.16Å; L117-L135 WeakPolarHBondContact O-CD1 3.19Å
118F92.3Very high91.9Very high6 Ų648 Ų483%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-139.4126.3172.2-178.8-90.7000109.3Q6 I9 L13 N108 I113 V120 F132 K133 L135Q6-F118 HydrophobicContact CB-CZ 4.29Å; Q6-F118 HydrophobicContact CG-CE2 4.45Å; I9-F118 HydrophobicContact CB-CE2 4.45Å; I9-F118 HydrophobicContact CG2-CD2 3.84Å; I9-F118 HydrophobicContact CG2-CE2 3.89Å; I9-F118 HydrophobicContact CG2-CG 4.18Å; I9-F118 HydrophobicContact CG2-CZ 4.3Å; L13-F118 HydrophobicContact CD1-CB 3.97Å; L13-F118 HydrophobicContact CD1-CD1 4.28Å; L13-F118 HydrophobicContact CD1-CG 4.16Å; N108-F118 HydrophobicContact CB-CD2 4.5Å; N108-F118 HydrophobicContact CB-CE2 4.49Å; I113-F118 HydrophobicContact CG1-CD2 4.44Å; F118-V120 HydrophobicContact CD1-CG2 4.14Å; F118-V120 HydrophobicContact CE1-CG2 4.11Å; F118-F132 CarbonylContact O-C 2.91Å; F118-F132 WeakPolarHBondContact O-CA 3.27Å; F118-K133 PolarHBondContact N-O 2.9Å; F118-K133 PolarHBondContact O-N 2.72Å; F118-L135 HydrophobicContact CB-CD2 4.02Å; F118-L135 HydrophobicContact CB-CG 4.21Å
119V93.3Very high92Very high3 Ų349.6 Ų49.62%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-93.8122.5176.1179.70000109.5L104 N108 F112 V130 F132L104-V119 HydrophobicContact CD2-CG1 4.06Å; N108-V119 PolarHBondContact ND2-O 2.98Å; N108-V119 PolarHBondContact OD1-N 3.29Å; F112-V119 HydrophobicContact CD1-CG2 3.93Å; F112-V119 HydrophobicContact CD2-CB 4.1Å; F112-V119 HydrophobicContact CD2-CG2 3.47Å; F112-V119 VanDerWaalsContact CD2-CG2 3.47Å; F112-V119 HydrophobicContact CE1-CG2 3.89Å; F112-V119 HydrophobicContact CE2-CB 4.12Å; F112-V119 HydrophobicContact CE2-CG2 3.42Å; F112-V119 VanDerWaalsContact CE2-CG2 3.42Å; F112-V119 HydrophobicContact CG-CG2 3.73Å; F112-V119 HydrophobicContact CZ-CG2 3.64Å; V119-V130 HydrophobicContact CG1-CG1 3.62Å; V119-F132 HydrophobicContact CG2-CD1 3.37Å; V119-F132 HydrophobicContact CG2-CE1 3.19Å; V119-F132 HydrophobicContact CG2-CG 4.16Å; V119-F132 HydrophobicContact CG2-CZ 3.84Å
120V92.4Very high92.1Very high3 Ų344.6 Ų44.62%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-82.1137.7171.7-1760000108.7F118 P122 E124 S131 K133F118-V120 HydrophobicContact CD1-CG2 4.14Å; F118-V120 HydrophobicContact CE1-CG2 4.11Å; V120-P122 WeakPolarHBondContact O-CD 3.49Å; V120-E124 HydrophobicContact CG1-CB 4.31Å; V120-E124 VanDerWaalsContact CG1-OE2 3.3Å; V120-E124 WeakPolarHBondContact CG1-OE2 3.2Å; V120-S131 PolarHBondContact N-O 3.22Å; V120-K133 HydrophobicContact CG2-CD 3.97Å; V120-K133 HydrophobicContact CG2-CG 4.11Å
121D93.5Very high92.1Very high17 Ų1738.1 Ų38.19%0.09120%0.197CC..PPolyproline II helixtrans-55.7123.1176.3-165.8-38.2000110.2S101 L104 I123 E124S101-D121 WeakPolarHBondContact CA-OD2 3.48Å; S101-D121 WeakPolarHBondContact CB-OD2 3.46Å; S101-D121 PolarHBondContact OG-OD2 3.49Å; L104-D121 HydrophobicContact CD1-CB 4.28Å; D121-I123 HydrophobicContact CB-CG2 4.16Å; D121-I123 PolarHBondContact O-N 3.04Å; D121-I123 WeakPolarHBondContact OD1-CB 3.45Å; D121-I123 VanDerWaalsContact OD1-CG2 3.26Å; D121-I123 WeakPolarHBondContact OD1-CG2 3.44Å; D121-I123 PolarHBondContact OD1-N 2.86Å; D121-E124 HydrophobicContact CB-CG 4.42Å; D121-E124 WeakPolarHBondContact O-CB 3.35Å; D121-E124 PolarHBondContact O-N 3.4Å; D121-E124 VanDerWaalsContact O-N 3.08Å
122P94.3Very high92.1Very high0 Ų037.8 Ų37.80%019%0.194CC..G310 helixtrans-56.6-24179.7-25.434.3000113.5F33 L57 L104 V120 E124 R125 G126 L127 V130F33-P122 HydrophobicContact CE2-CB 4.36Å; F33-P122 HydrophobicContact CE2-CG 4.36Å; F33-P122 HydrophobicContact CZ-CB 3.79Å; F33-P122 HydrophobicContact CZ-CG 4.17Å; L57-P122 HydrophobicContact CD2-CG 4.45Å; L104-P122 VanDerWaalsContact CD1-CD 3.43Å; L104-P122 HydrophobicContact CD1-CG 4.5Å; V120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-E124 VanDerWaalsContact C-N 3.26Å; P122-E124 PolarHBondContact O-N 3.26Å; P122-R125 CarbonylContact O-C 3.54Å; P122-R125 WeakPolarHBondContact O-CA 3.47Å; P122-R125 PolarHBondContact O-N 3.06Å; P122-G126 PolarHBondContact O-N 2.8Å; P122-L127 HydrophobicContact CB-CD2 4.12Å; P122-L127 WeakPolarHBondContact O-CA 3.28Å; P122-L127 PolarHBondContact O-N 3.22Å; P122-V130 HydrophobicContact CG-CB 4.4Å; P122-V130 HydrophobicContact CG-CG1 4.3Å; P122-V130 HydrophobicContact CG-CG2 3.95Å
123I92.8Very high92.1Very high73 Ų7337.8 Ų37.837%0.37419%0.194SC..G310 helixtrans-61.2-36.4177.9-159.1177.6000111.9L97 D121 R125 G126 L127L97-I123 HydrophobicContact CB-CD1 4.25Å; L97-I123 HydrophobicContact CD1-CD1 3.42Å; L97-I123 VanDerWaalsContact CD1-CD1 3.42Å; L97-I123 HydrophobicContact CD2-CD1 4.03Å; L97-I123 HydrophobicContact CG-CD1 4.1Å; D121-I123 HydrophobicContact CB-CG2 4.16Å; D121-I123 PolarHBondContact O-N 3.04Å; D121-I123 WeakPolarHBondContact OD1-CB 3.45Å; D121-I123 VanDerWaalsContact OD1-CG2 3.26Å; D121-I123 WeakPolarHBondContact OD1-CG2 3.44Å; D121-I123 PolarHBondContact OD1-N 2.86Å; I123-R125 PolarHBondContact O-N 3.08Å; I123-R125 VanDerWaalsContact O-N 3.12Å; I123-G126 PolarHBondContact O-N 3.43Å; I123-L127 HydrophobicContact CB-CD2 4.19Å; I123-L127 HydrophobicContact CG1-CD2 4.49Å
124E89.1Confident91.9Very high101 Ų10137.8 Ų37.847%0.47219%0.193SC..G310 helixtrans-66.1-16.2176.9-61.8-177.1-173.100112.2V120 D121 P122V120-E124 HydrophobicContact CG1-CB 4.31Å; V120-E124 VanDerWaalsContact CG1-OE2 3.3Å; V120-E124 WeakPolarHBondContact CG1-OE2 3.2Å; D121-E124 HydrophobicContact CB-CG 4.42Å; D121-E124 WeakPolarHBondContact O-CB 3.35Å; D121-E124 PolarHBondContact O-N 3.4Å; D121-E124 VanDerWaalsContact O-N 3.08Å; P122-E124 VanDerWaalsContact C-N 3.26Å; P122-E124 PolarHBondContact O-N 3.26Å
125R89.4Confident91.8Very high80 Ų8034.5 Ų34.530%0.30217%0.171SC..G310 helixtrans-107.710.6176.6-59-62.8-177.9162.5-8.8112.6D14 P122 I123 R128 V129D14-R125 IonicContact OD1-NH2 3.98Å; P122-R125 CarbonylContact O-C 3.54Å; P122-R125 WeakPolarHBondContact O-CA 3.47Å; P122-R125 PolarHBondContact O-N 3.06Å; I123-R125 PolarHBondContact O-N 3.08Å; I123-R125 VanDerWaalsContact O-N 3.12Å; R125-R128 PolarHBondContact O-NE 3.29Å; R125-R128 VanDerWaalsContact O-NE 3.09Å; R125-V129 HydrophobicContact CB-CG2 4.24Å
126G92.7Very high91.2Very high52 Ų5233.1 Ų33.154%0.53617%0.169SC..THydrogen-bonded Turntrans70.529.8-178.600000113.4P122 I123 R128P122-G126 PolarHBondContact O-N 2.8Å; I123-G126 PolarHBondContact O-N 3.43Å; G126-R128 PolarHBondContact O-N 3.33Å
127L93.4Very high90.3Very high22 Ų2238 Ų3812%0.11520%0.198CC..THydrogen-bonded Turntrans60.915.5179.1-52.4175000114.9R23 V31 Y61 Y93 P122 I123R23-L127 PolarHBondContact NH1-O 2.87Å; R23-L127 VanDerWaalsContact NH1-O 3.09Å; V31-L127 HydrophobicContact CG2-CB 4.42Å; V31-L127 HydrophobicContact CG2-CD1 4.09Å; Y61-L127 HydrophobicContact CE1-CD2 3.66Å; Y61-L127 VanDerWaalsContact OH-CD2 3.31Å; Y61-L127 WeakPolarHBondContact OH-CD2 3.29Å; Y93-L127 WeakPolarHBondContact OH-CD1 3.47Å; P122-L127 HydrophobicContact CB-CD2 4.12Å; P122-L127 WeakPolarHBondContact O-CA 3.28Å; P122-L127 PolarHBondContact O-N 3.22Å; I123-L127 HydrophobicContact CB-CD2 4.19Å; I123-L127 HydrophobicContact CG1-CD2 4.49Å
128R93Very high89Confident180 Ų18044.7 Ų44.768%0.67923%0.233SC*.SBendtrans-80.9-31.9-177.6-67.6-179-69.5178.6-3.7113.2R23 R125 G126R23-R128 VanDerWaalsContact CG-O 3.26Å; R23-R128 WeakPolarHBondContact CG-O 3.23Å; R125-R128 PolarHBondContact O-NE 3.29Å; R125-R128 VanDerWaalsContact O-NE 3.09Å; G126-R128 PolarHBondContact O-N 3.33Å
129V94Very high87.6Confident34 Ų3447.8 Ų47.821%0.20625%0.246CC..EExtended strand (participates in β ladder)trans-152.3151.9-177.4-66.10000110.3F20 V21 R125F20-V129 HydrophobicContact CD1-CB 4.34Å; F20-V129 HydrophobicContact CD1-CG2 3.86Å; F20-V129 HydrophobicContact CE1-CG2 4.43Å; V21-V129 WeakPolarHBondContact O-CA 3.5Å; R125-V129 HydrophobicContact CB-CG2 4.24Å
130V94.7Very high85.7Confident0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-90.9123.9161.8-169.70000107.7F20 V21 F33 L57 V119 P122 F132F20-V130 WeakPolarHBondContact CA-O 3.49Å; V21-V130 HydrophobicContact CB-CB 4.12Å; V21-V130 PolarHBondContact N-O 3.35Å; V21-V130 PolarHBondContact O-N 3.34Å; F33-V130 HydrophobicContact CB-CG2 4.13Å; F33-V130 HydrophobicContact CD1-CG2 3.44Å; F33-V130 VanDerWaalsContact CD1-CG2 3.44Å; F33-V130 HydrophobicContact CD2-CG2 3.86Å; F33-V130 HydrophobicContact CE1-CG2 3.69Å; F33-V130 HydrophobicContact CE2-CG2 4.1Å; F33-V130 HydrophobicContact CG-CG2 3.52Å; F33-V130 HydrophobicContact CZ-CG2 4.02Å; L57-V130 HydrophobicContact CD2-CG2 4.2Å; V119-V130 HydrophobicContact CG1-CG1 3.62Å; P122-V130 HydrophobicContact CG-CB 4.4Å; P122-V130 HydrophobicContact CG-CG1 4.3Å; P122-V130 HydrophobicContact CG-CG2 3.95Å; V130-F132 HydrophobicContact CB-CE2 3.98Å; V130-F132 HydrophobicContact CG1-CD2 4.29Å; V130-F132 HydrophobicContact CG1-CE2 3.54Å; V130-F132 HydrophobicContact CG1-CZ 3.96Å
131S93.2Very high83.7Confident0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-105122.3-178.6-171.60000110.5F20 V120F20-S131 WeakPolarHBondContact CE1-OG 3.11Å; V120-S131 PolarHBondContact N-O 3.22Å
132F92.8Very high81.6Confident0 Ų067 Ų670%034%0.343CS..EExtended strand (participates in β ladder)trans-102.2130.8173.1-63.4-105.8000108.1K18 I19 V21 L41 F50 I54 F112 F118 V119 V130K18-F132 CarbonylContact C-O 3.52Å; K18-F132 WeakPolarHBondContact CA-O 3.5Å; I19-F132 HydrophobicContact CB-CB 4.18Å; I19-F132 PolarHBondContact N-O 2.86Å; I19-F132 PolarHBondContact O-N 2.67Å; V21-F132 HydrophobicContact CB-CE2 4.25Å; V21-F132 HydrophobicContact CG2-CD2 4.01Å; V21-F132 HydrophobicContact CG2-CE2 3.41Å; V21-F132 VanDerWaalsContact CG2-CE2 3.41Å; V21-F132 HydrophobicContact CG2-CZ 4.28Å; L41-F132 HydrophobicContact CD1-CD1 3.9Å; L41-F132 HydrophobicContact CD1-CD2 4.41Å; L41-F132 HydrophobicContact CD1-CE1 4.13Å; L41-F132 HydrophobicContact CD1-CG 4.08Å; F50-F132 HydrophobicContact CD2-CZ 4.39Å; F50-F132 HydrophobicContact CE2-CE1 4.15Å; F50-F132 HydrophobicContact CE2-CE2 4.22Å; F50-F132 AromaticContact CE2-CZ 3.6Å; F50-F132 HydrophobicContact CE2-CZ 3.6Å; I54-F132 HydrophobicContact CD1-CZ 4.44Å; F112-F132 HydrophobicContact CD1-CE1 4.27Å; F112-F132 HydrophobicContact CE1-CD1 4.43Å; F112-F132 AromaticContact CE1-CE1 3.71Å; F112-F132 HydrophobicContact CE1-CE1 3.71Å; F112-F132 HydrophobicContact CZ-CE1 4.06Å; F118-F132 CarbonylContact O-C 2.91Å; F118-F132 WeakPolarHBondContact O-CA 3.27Å; V119-F132 HydrophobicContact CG2-CD1 3.37Å; V119-F132 HydrophobicContact CG2-CE1 3.19Å; V119-F132 HydrophobicContact CG2-CG 4.16Å; V119-F132 HydrophobicContact CG2-CZ 3.84Å; V130-F132 HydrophobicContact CB-CE2 3.98Å; V130-F132 HydrophobicContact CG1-CD2 4.29Å; V130-F132 HydrophobicContact CG1-CE2 3.54Å; V130-F132 HydrophobicContact CG1-CZ 3.96Å
133K91.1Very high80.9Confident2 Ų270.4 Ų70.41%0.00936%0.36CS..EExtended strand (participates in β ladder)trans-108.2134.9173.1-61.3-171.2170.9-159.40108.3S10 L13 D14 K18 L117 F118 V120S10-K133 PolarHBondContact O-NZ 3.27Å; L13-K133 HydrophobicContact CB-CB 4.28Å; L13-K133 HydrophobicContact CB-CD 3.52Å; L13-K133 HydrophobicContact CD1-CB 4.16Å; L13-K133 HydrophobicContact CD1-CD 4.26Å; L13-K133 WeakPolarHBondContact O-CD 3.44Å; L13-K133 PolarHBondContact O-NZ 2.89Å; D14-K133 IonicContact OD1-NZ 3.33Å; D14-K133 PolarHBondContact OD1-NZ 3.4Å; K18-K133 HydrophobicContact CG-CG 4.26Å; L117-K133 CarbonylContact C-O 3.55Å; L117-K133 WeakPolarHBondContact CA-O 3.09Å; F118-K133 PolarHBondContact N-O 2.9Å; F118-K133 PolarHBondContact O-N 2.72Å; V120-K133 HydrophobicContact CG2-CD 3.97Å; V120-K133 HydrophobicContact CG2-CG 4.11Å
134K88.6Confident80.3Confident44 Ų4470.2 Ų70.219%0.19136%0.36CS..EExtended strand (participates in β ladder)trans-76.7125.6169.8-65.1-168179.2-164.50108.5C16 R17 I19 E40 L117C16-K134 WeakPolarHBondContact CB-O 3.33Å; R17-K134 PolarHBondContact O-N 2.77Å; I19-K134 HydrophobicContact CD1-CG 4.5Å; E40-K134 PolarHBondContact O-NZ 3.07Å; L117-K134 HydrophobicContact CD2-CG 4.16Å
135L85.9Confident79.8Confident14 Ų1468.5 Ų68.57%0.07335%0.354CS..PPolyproline II helixtrans-74.1137.5173.9-67.2171.7000109.4I9 L13 I113 G116 L117 F118 F139I9-L135 HydrophobicContact CG2-CD2 4.39Å; L13-L135 HydrophobicContact CD1-CD2 3.36Å; L13-L135 HydrophobicContact CD2-CD2 3.73Å; L13-L135 HydrophobicContact CG-CD2 4.11Å; I113-L135 HydrophobicContact CB-CD1 4.2Å; I113-L135 HydrophobicContact CG1-CD1 4.05Å; I113-L135 HydrophobicContact CG2-CD1 4.09Å; G116-L135 PolarHBondContact O-N 3.34Å; L117-L135 WeakPolarHBondContact O-CD1 3.19Å; F118-L135 HydrophobicContact CB-CD2 4.02Å; F118-L135 HydrophobicContact CB-CG 4.21Å; L135-F139 HydrophobicContact CB-CB 4.3Å; L135-F139 HydrophobicContact CD2-CB 4.31Å
136P78.8Confident79.2Confident57 Ų5767.8 Ų67.837%0.3736%0.357SS..PPolyproline II helixtrans-65.5147.3167.729.7-32.8000108.6L13 L138 F139L13-P136 VanDerWaalsContact CD2-CD 3.44Å; L13-P136 HydrophobicContact CD2-CG 4.39Å; P136-L138 PolarHBondContact O-N 3.22Å; P136-F139 HydrophobicContact CG-CD2 3.96Å; P136-F139 PolarHBondContact O-N 3.05Å
137T70Confident78.4Confident109 Ų10968.8 Ų68.867%0.66935%0.345SS*.G310 helixtrans-52.9-28.1-172.8-40.20000113.5F139 C140 F141T137-F139 VanDerWaalsContact C-N 3.29Å; T137-F139 PolarHBondContact O-N 2.96Å; T137-C140 PolarHBondContact O-N 2.98Å; T137-F141 HydrophobicContact CG2-CE2 4.1Å; T137-F141 WeakPolarHBondContact O-CD2 3.5Å
138L63.9Low77.4Confident142 Ų14271.9 Ų71.974%0.74336%0.361SS*.G310 helixtrans-63-30177.8-68.8165.5000113.7P136 C140P136-L138 PolarHBondContact O-N 3.22Å; L138-C140 VanDerWaalsContact C-N 3.35Å
139F61.9Low76.3Confident70 Ų7064.2 Ų64.231%0.30734%0.338SS..G310 helixtrans-78.4-17.2178.6-99.7-85.8000113.4I9 L135 P136 T137 F141I9-F139 HydrophobicContact CG1-CE1 3.95Å; L135-F139 HydrophobicContact CB-CB 4.3Å; L135-F139 HydrophobicContact CD2-CB 4.31Å; P136-F139 HydrophobicContact CG-CD2 3.96Å; P136-F139 PolarHBondContact O-N 3.05Å; T137-F139 VanDerWaalsContact C-N 3.29Å; T137-F139 PolarHBondContact O-N 2.96Å; F139-F141 PolarHBondContact O-N 3.08Å
140C54.3Low74.9Confident53 Ų5366.5 Ų66.536%0.35835%0.348SS..G310 helixtrans-76.9-9.3178.2-71.70000113.2G116 T137 L138G116-C140 VanDerWaalsContact CA-SG 3.53Å; T137-C140 PolarHBondContact O-N 2.98Å; L138-C140 VanDerWaalsContact C-N 3.35Å
141F50.3Low73.3Confident181 Ų18172.1 Ų72.179%0.79438%0.377SS*.G310 helixtrans-112.91.9-177.6-65.8-73.4000114T137 F139T137-F141 HydrophobicContact CG2-CE2 4.1Å; T137-F141 WeakPolarHBondContact O-CD2 3.5Å; F139-F141 PolarHBondContact O-N 3.08Å
142L48.3Very low71.5Confident193 Ų19378.6 Ų78.6100%1.0141%0.411SS*.  trans-106.70175.7-83.8157.4000109.7

Retrieved 142 of 142 residues in 271.1 ms (Link to these results)

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