A0A077YWM7_TRITR Loading...

Large ribosomal subunit protein mL53

AlphaFold DB , UniProt , Accession A0A077YWM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M69.7Low84.3Confident180 Ų180119.9 Ų119.989%0.88757%0.573SS**  0124.50-171.3-178.5-76.700108.3W5 R9M1-W5 HydrophobicContact CG-CB 4.41Å; M1-R9 VanDerWaalsContact SD-CZ 3.55Å; M1-R9 PolarHBondContact SD-NH2 2.92Å
2C86.9Confident84.2Confident66 Ų66117.4 Ų117.445%0.44657%0.571SS.*  trans-75.1155-173.588.60000112.2M4 W5C2-M4 PolarHBondContact O-N 2.92Å; C2-W5 PolarHBondContact O-N 3.07Å
3Q84.7Confident84.4Confident126 Ų126124.1 Ų124.159%0.58959%0.586SS**Hα-helixtrans-59.6-32.8-177.4-69.3-157.1-7.300113.1W5 R6 Y7Q3-W5 PolarHBondContact O-N 3.25Å; Q3-R6 WeakPolarHBondContact O-CB 3.23Å; Q3-R6 PolarHBondContact O-N 3.33Å; Q3-R6 VanDerWaalsContact O-N 3.1Å; Q3-Y7 HydrophobicContact CB-CD2 4.42Å; Q3-Y7 HydrophobicContact CB-CE2 4.09Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.35Å; Q3-Y7 PolarHBondContact O-N 2.63Å
4M83Confident84.5Confident122 Ų122127.5 Ų127.560%0.60159%0.592SS**Hα-helixtrans-58.7-47179.4-166.8175.976.600112C2 R6 Y7 I8C2-M4 PolarHBondContact O-N 2.92Å; M4-R6 PolarHBondContact O-N 3.35Å; M4-Y7 PolarHBondContact O-N 3.13Å; M4-I8 HydrophobicContact CG-CD1 4.26Å; M4-I8 WeakPolarHBondContact O-CG1 3.5Å; M4-I8 PolarHBondContact O-N 2.79Å
5W86.4Confident85Confident151 Ų151128.8 Ų128.857%0.57259%0.59SS**Hα-helixtrans-62.5-31.7176.4-77.6108.9000113.2M1 C2 Q3 R9M1-W5 HydrophobicContact CG-CB 4.41Å; C2-W5 PolarHBondContact O-N 3.07Å; Q3-W5 PolarHBondContact O-N 3.25Å; W5-R9 WeakPolarHBondContact O-CB 3.43Å; W5-R9 PolarHBondContact O-N 2.89Å; W5-R9 VanDerWaalsContact O-N 3.15Å
6R88.1Confident85.4Confident136 Ų136125.1 Ų125.151%0.51358%0.581SS.*Hα-helixtrans-69.7-41.8176.2-165.1176.272147.61.4111.2Q3 M4 R9 N10Q3-R6 WeakPolarHBondContact O-CB 3.23Å; Q3-R6 PolarHBondContact O-N 3.33Å; Q3-R6 VanDerWaalsContact O-N 3.1Å; M4-R6 PolarHBondContact O-N 3.35Å; R6-R9 PolarHBondContact O-N 3.3Å; R6-N10 WeakPolarHBondContact O-CB 3.42Å; R6-N10 VanDerWaalsContact O-CG 3.26Å; R6-N10 PolarHBondContact O-N 3.19Å; R6-N10 PolarHBondContact O-OD1 3.48Å
7Y85.5Confident85.9Confident107 Ų107130.7 Ų130.742%0.4260%0.596SS.*Hα-helixtrans-64.7-43.6176.3-73.1-60.9000112.8Q3 M4 R9 N10 G11 V12Q3-Y7 HydrophobicContact CB-CD2 4.42Å; Q3-Y7 HydrophobicContact CB-CE2 4.09Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.35Å; Q3-Y7 PolarHBondContact O-N 2.63Å; M4-Y7 PolarHBondContact O-N 3.13Å; Y7-R9 PolarHBondContact O-N 3.02Å; Y7-N10 PolarHBondContact O-N 3.23Å; Y7-G11 PolarHBondContact O-N 2.86Å; Y7-V12 HydrophobicContact CD1-CB 4.18Å; Y7-V12 HydrophobicContact CD1-CG1 4.3Å; Y7-V12 HydrophobicContact CD1-CG2 4.13Å; Y7-V12 PolarHBondContact O-N 3.18Å; Y7-V12 VanDerWaalsContact O-N 3.08Å
8I84.3Confident86.4Confident104 Ų104128.1 Ų128.153%0.53359%0.585SS.*Hα-helixtrans-60.8-46.1177.5-65167.6000110.3M4 N10 G11M4-I8 HydrophobicContact CG-CD1 4.26Å; M4-I8 WeakPolarHBondContact O-CG1 3.5Å; M4-I8 PolarHBondContact O-N 2.79Å; I8-N10 PolarHBondContact O-N 3.35Å; I8-G11 PolarHBondContact O-N 3.46Å; I8-G11 VanDerWaalsContact O-N 3.08Å
9R86.5Confident86.9Confident162 Ų162122.6 Ų122.661%0.61156%0.564SS**Hα-helixtrans-64-38.9178-98.2-173.3-86.6-163.7-23.2113.7M1 W5 R6 Y7 G11M1-R9 VanDerWaalsContact SD-CZ 3.55Å; M1-R9 PolarHBondContact SD-NH2 2.92Å; W5-R9 WeakPolarHBondContact O-CB 3.43Å; W5-R9 PolarHBondContact O-N 2.89Å; W5-R9 VanDerWaalsContact O-N 3.15Å; R6-R9 PolarHBondContact O-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.02Å; R9-G11 PolarHBondContact O-N 3.15Å; R9-G11 VanDerWaalsContact O-N 3.17Å
10N87.6Confident87.4Confident115 Ų115118.8 Ų118.862%0.61555%0.548SS*.THydrogen-bonded Turntrans-72.5-0.1176.1-70.11.8000112.8R6 Y7 I8 V12R6-N10 WeakPolarHBondContact O-CB 3.42Å; R6-N10 VanDerWaalsContact O-CG 3.26Å; R6-N10 PolarHBondContact O-N 3.19Å; R6-N10 PolarHBondContact O-OD1 3.48Å; Y7-N10 PolarHBondContact O-N 3.23Å; I8-N10 PolarHBondContact O-N 3.35Å; N10-V12 HydrophobicContact CB-CG2 4.02Å; N10-V12 PolarHBondContact O-N 3.08Å
11G84.4Confident87.8Confident50 Ų50115.8 Ų115.852%0.51554%0.544SS..THydrogen-bonded Turntrans69.218.518000000113.8Y7 I8 R9 R13Y7-G11 PolarHBondContact O-N 2.86Å; I8-G11 PolarHBondContact O-N 3.46Å; I8-G11 VanDerWaalsContact O-N 3.08Å; R9-G11 PolarHBondContact O-N 3.15Å; R9-G11 VanDerWaalsContact O-N 3.17Å; G11-R13 PolarHBondContact O-N 3.15Å; G11-R13 VanDerWaalsContact O-N 3.14Å
12V83.6Confident89.1Confident90 Ų90113.9 Ų113.955%0.54553%0.531SS..  trans-71.1110.8179.1-178.70000108.4Y7 N10Y7-V12 HydrophobicContact CD1-CB 4.18Å; Y7-V12 HydrophobicContact CD1-CG1 4.3Å; Y7-V12 HydrophobicContact CD1-CG2 4.13Å; Y7-V12 PolarHBondContact O-N 3.18Å; Y7-V12 VanDerWaalsContact O-N 3.08Å; N10-V12 HydrophobicContact CB-CG2 4.02Å; N10-V12 PolarHBondContact O-N 3.08Å
13R86Confident89.5Confident204 Ų204110.9 Ų110.977%0.7751%0.511SS*.  trans-104.9142.3177.8-64.4-173.4-176.9-115.32.3110.4G11 R15G11-R13 PolarHBondContact O-N 3.15Å; G11-R13 VanDerWaalsContact O-N 3.14Å; R13-R15 PolarHBondContact O-N 3.42Å
14Y87Confident90Very high172 Ų172107 Ų10768%0.67549%0.493SS*.  trans-67.1121.7171.7178.2-108.9000110.1P16 A19Y14-P16 HydrophobicContact CE1-CB 4.2Å; Y14-A19 HydrophobicContact CE2-CB 4.15Å
15R91.8Very high90.6Very high147 Ų147107.4 Ų107.456%0.55549%0.492SS*.  trans-123.8108.2179.2-70.9179.7172.3-174.11.8109R13 R17 E18 A19R13-R15 PolarHBondContact O-N 3.42Å; R15-R17 VanDerWaalsContact C-N 3.3Å; R15-R17 PolarHBondContact O-N 3.27Å; R15-E18 HydrophobicContact CB-CB 4.11Å; R15-E18 HydrophobicContact CB-CG 3.93Å; R15-E18 WeakPolarHBondContact CD-OE1 3.29Å; R15-E18 IonicContact CZ-OE1 3.7Å; R15-E18 IonicContact NE-OE1 3.75Å; R15-E18 IonicContact NH1-OE1 2.84Å; R15-E18 PolarHBondContact NH1-OE1 2.99Å; R15-E18 PolarHBondContact O-N 2.82Å; R15-E18 VanDerWaalsContact O-N 3.13Å; R15-A19 PolarHBondContact O-N 2.9Å; R15-A19 VanDerWaalsContact O-N 3.09Å
16P90.9Very high90.9Very high70 Ų70105.9 Ų105.946%0.45549%0.491SS..Hα-helixtrans-64.5-34.1-171.523.9-33.7000112.6Y14 E18 A19 I20Y14-P16 HydrophobicContact CE1-CB 4.2Å; P16-E18 VanDerWaalsContact C-N 3.33Å; P16-E18 PolarHBondContact O-N 3.33Å; P16-A19 PolarHBondContact O-N 2.8Å; P16-I20 VanDerWaalsContact O-CG1 3.29Å; P16-I20 WeakPolarHBondContact O-CG1 3.34Å; P16-I20 PolarHBondContact O-N 3.29Å
17R94.8Very high91.1Very high220 Ų22099.8 Ų99.883%0.8347%0.469SS*.Hα-helixtrans-62.7-40.2176.3-62.4-176.5-167.31552.8112.2R15 I20 A21R15-R17 VanDerWaalsContact C-N 3.3Å; R15-R17 PolarHBondContact O-N 3.27Å; R17-I20 PolarHBondContact O-N 2.81Å; R17-A21 WeakPolarHBondContact O-CB 3.35Å; R17-A21 PolarHBondContact O-N 3.34Å
18E94.8Very high91.4Very high84 Ų8498.6 Ų98.639%0.39347%0.47SS..Hα-helixtrans-70.1-37.5177.3-64.7177.2-172.900111R15 P16 A21 K22R15-E18 HydrophobicContact CB-CB 4.11Å; R15-E18 HydrophobicContact CB-CG 3.93Å; R15-E18 WeakPolarHBondContact CD-OE1 3.29Å; R15-E18 IonicContact CZ-OE1 3.7Å; R15-E18 IonicContact NE-OE1 3.75Å; R15-E18 IonicContact NH1-OE1 2.84Å; R15-E18 PolarHBondContact NH1-OE1 2.99Å; R15-E18 PolarHBondContact O-N 2.82Å; R15-E18 VanDerWaalsContact O-N 3.13Å; P16-E18 VanDerWaalsContact C-N 3.33Å; P16-E18 PolarHBondContact O-N 3.33Å; E18-A21 PolarHBondContact O-N 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.41Å; E18-K22 VanDerWaalsContact O-CG 3.29Å; E18-K22 WeakPolarHBondContact O-CG 3.4Å; E18-K22 PolarHBondContact O-N 3.48Å
19A95.1Very high91.8Very high24 Ų2493.8 Ų93.820%0.19845%0.445CS..Hα-helixtrans-64.1-44174.900000111.8Y14 R15 P16 K22 A23 L103Y14-A19 HydrophobicContact CE2-CB 4.15Å; R15-A19 PolarHBondContact O-N 2.9Å; R15-A19 VanDerWaalsContact O-N 3.09Å; P16-A19 PolarHBondContact O-N 2.8Å; A19-K22 PolarHBondContact O-N 3.05Å; A19-A23 PolarHBondContact O-N 3.17Å; A19-L103 HydrophobicContact CB-CD1 3.55Å
20I96.6Very high92Very high45 Ų4590.2 Ų90.223%0.23145%0.445CS..Hα-helixtrans-60.5-47.7173-69.1164.8000110.4P16 R17 K22 A23 I24 L102 L103P16-I20 VanDerWaalsContact O-CG1 3.29Å; P16-I20 WeakPolarHBondContact O-CG1 3.34Å; P16-I20 PolarHBondContact O-N 3.29Å; R17-I20 PolarHBondContact O-N 2.81Å; I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 2.88Å; I20-A23 PolarHBondContact O-N 3.35Å; I20-A23 VanDerWaalsContact O-N 3.15Å; I20-I24 HydrophobicContact CG2-CD1 3.62Å; I20-I24 HydrophobicContact CG2-CG1 4.18Å; I20-I24 VanDerWaalsContact O-CG1 3.27Å; I20-I24 WeakPolarHBondContact O-CG1 3.45Å; I20-I24 PolarHBondContact O-N 3.42Å; I20-L102 HydrophobicContact CG2-CD2 3.77Å; I20-L103 HydrophobicContact CG1-CB 4.03Å; I20-L103 HydrophobicContact CG1-CD1 4.16Å
21A96.3Very high92.2Very high57 Ų5786.2 Ų86.247%0.47143%0.426SS..Hα-helixtrans-60.4-39179.200000112.4R17 E18 F25R17-A21 WeakPolarHBondContact O-CB 3.35Å; R17-A21 PolarHBondContact O-N 3.34Å; E18-A21 PolarHBondContact O-N 3.31Å; A21-F25 WeakPolarHBondContact O-CB 3.45Å; A21-F25 PolarHBondContact O-N 2.87Å
22K96Very high92.6Very high139 Ų13983.9 Ų83.960%0.60440%0.402SS*.Hα-helixtrans-64.4-43.9173.5-74.5173.5-177.6179.90112.1E18 A19 I20 F25 Q26E18-K22 WeakPolarHBondContact O-CB 3.41Å; E18-K22 VanDerWaalsContact O-CG 3.29Å; E18-K22 WeakPolarHBondContact O-CG 3.4Å; E18-K22 PolarHBondContact O-N 3.48Å; A19-K22 PolarHBondContact O-N 3.05Å; I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 2.88Å; K22-F25 WeakPolarHBondContact O-CB 3.32Å; K22-F25 PolarHBondContact O-N 3.28Å; K22-Q26 WeakPolarHBondContact O-CG 3.35Å; K22-Q26 PolarHBondContact O-N 2.63Å
23A95.8Very high93.1Very high3 Ų382 Ų823%0.02539%0.393CS..Hα-helixtrans-61.6-49.1175.600000110.7A19 I20 F25 Q26 L27 L106 L110A19-A23 PolarHBondContact O-N 3.17Å; I20-A23 PolarHBondContact O-N 3.35Å; I20-A23 VanDerWaalsContact O-N 3.15Å; A23-F25 PolarHBondContact O-N 2.89Å; A23-Q26 PolarHBondContact O-N 3.4Å; A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 3.02Å; A23-L27 VanDerWaalsContact O-N 3.12Å; A23-L106 HydrophobicContact CB-CB 4Å; A23-L106 HydrophobicContact CB-CD1 3.9Å; A23-L110 HydrophobicContact CB-CD1 4.4Å
24I96.1Very high93.6Very high45 Ų4574 Ų7423%0.23137%0.368CS..Hα-helixtrans-55.6-40.8175.4-67.6171.7000111.4I20 Q26 L27 V55 I61 L106I20-I24 HydrophobicContact CG2-CD1 3.62Å; I20-I24 HydrophobicContact CG2-CG1 4.18Å; I20-I24 VanDerWaalsContact O-CG1 3.27Å; I20-I24 WeakPolarHBondContact O-CG1 3.45Å; I20-I24 PolarHBondContact O-N 3.42Å; I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 PolarHBondContact O-N 2.84Å; I24-L27 PolarHBondContact O-N 2.99Å; I24-V55 HydrophobicContact CD1-CG1 4.45Å; I24-V55 HydrophobicContact CD1-CG2 3.74Å; I24-V55 HydrophobicContact CG1-CG1 3.95Å; I24-V55 HydrophobicContact CG1-CG2 4.08Å; I24-V55 HydrophobicContact CG2-CG1 4.24Å; I24-I61 HydrophobicContact CG2-CD1 4.04Å; I24-L106 HydrophobicContact CG1-CD1 3.63Å
25F94.6Very high94Very high131 Ų13165.8 Ų65.858%0.57534%0.335SS*.Hα-helixtrans-62.7-34.3178.6-175.7-83.4000112.7A21 K22 A23 R60A21-F25 WeakPolarHBondContact O-CB 3.45Å; A21-F25 PolarHBondContact O-N 2.87Å; K22-F25 WeakPolarHBondContact O-CB 3.32Å; K22-F25 PolarHBondContact O-N 3.28Å; A23-F25 PolarHBondContact O-N 2.89Å; F25-R60 VanDerWaalsContact CD2-CZ 3.5Å; F25-R60 VanDerWaalsContact CG-NH2 3.31Å; F25-R60 PolarHBondContact O-NH2 3.11Å
26Q93.2Very high94.3Very high119 Ų11960.7 Ų60.756%0.55632%0.323SS*.Hα-helixtrans-83.7-17.9-179.4-69.3175.8-7.100113.6K22 A23 I24 N28 L110K22-Q26 WeakPolarHBondContact O-CG 3.35Å; K22-Q26 PolarHBondContact O-N 2.63Å; A23-Q26 PolarHBondContact O-N 3.4Å; I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 PolarHBondContact O-N 2.84Å; Q26-N28 PolarHBondContact O-N 3.29Å; Q26-L110 HydrophobicContact CB-CD1 4.09Å; Q26-L110 HydrophobicContact CB-CD2 3.95Å; Q26-L110 WeakPolarHBondContact O-CD2 3.15Å
27L93.2Very high94.6Very high7 Ų757.4 Ų57.44%0.03730%0.301CS..  trans-66.9129.9-179.1-70.8168.6000111.7A23 I24 V55 I61 L106 L109 L110A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 3.02Å; A23-L27 VanDerWaalsContact O-N 3.12Å; I24-L27 PolarHBondContact O-N 2.99Å; L27-V55 HydrophobicContact CD1-CG1 3.68Å; L27-I61 HydrophobicContact CB-CD1 4.11Å; L27-I61 HydrophobicContact CD1-CD1 4.06Å; L27-L106 HydrophobicContact CD1-CB 4.48Å; L27-L106 HydrophobicContact CD1-CD1 3.96Å; L27-L106 HydrophobicContact CD1-CD2 3.31Å; L27-L106 HydrophobicContact CD1-CG 4.05Å; L27-L106 HydrophobicContact CD2-CB 4.44Å; L27-L106 HydrophobicContact CD2-CD2 4.12Å; L27-L106 HydrophobicContact CG-CD2 4.26Å; L27-L109 HydrophobicContact CD2-CD1 4.5Å; L27-L109 HydrophobicContact CD2-CD2 3.83Å; L27-L110 HydrophobicContact CD2-CD1 4.44Å; L27-L110 HydrophobicContact CD2-CD2 3.87Å; L27-L110 HydrophobicContact CD2-CG 3.82Å; L27-L110 HydrophobicContact CG-CD2 4.41Å
28N91.9Very high94.7Very high82 Ų8250 Ų5044%0.43928%0.276SS..  trans-134.7141.4171-66-43000109Q26Q26-N28 PolarHBondContact O-N 3.29Å
29L92.1Very high94.7Very high4 Ų447 Ų472%0.02126%0.261CS..  trans-95.410.1178.3-60.7179.9000112.8S31 I32 V56 I61 T64 N65L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 2.84Å; L29-I32 HydrophobicContact CD2-CD1 3.86Å; L29-I32 PolarHBondContact O-N 2.79Å; L29-V56 HydrophobicContact CD1-CG1 4.01Å; L29-V56 HydrophobicContact CD2-CG1 4.45Å; L29-I61 HydrophobicContact CD1-CG2 3.71Å; L29-I61 HydrophobicContact CD2-CG2 4.23Å; L29-I61 HydrophobicContact CG-CG2 3.63Å; L29-T64 PolarHBondContact N-OG1 3.4Å; L29-N65 HydrophobicContact CB-CB 3.89Å; L29-N65 VanDerWaalsContact O-CB 3.29Å; L29-N65 WeakPolarHBondContact O-CB 3.27Å; L29-N65 PolarHBondContact O-ND2 3.27Å
30S90.9Very high94.8Very high86 Ų8645.9 Ų45.960%0.60125%0.253SS*.THydrogen-bonded Turntrans-58.7-37.5-173.750.70000113.6
31S90.2Very high94.7Very high32 Ų3246.3 Ų46.322%0.22426%0.258CS..THydrogen-bonded Turntrans-90-0.7178.156.60000114.1L29 F87 A88L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 2.84Å; S31-F87 CarbonylContact O-C 3.6Å; S31-F87 VanDerWaalsContact O-CA 3.32Å; S31-F87 WeakPolarHBondContact O-CA 3.49Å; S31-A88 PolarHBondContact O-N 3.42Å
32I93.6Very high94.6Very high1 Ų151.4 Ų51.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-104127.6-174.8-61.4172.5000109.5L29 V35 N65 V86 F87 L109L29-I32 HydrophobicContact CD2-CD1 3.86Å; L29-I32 PolarHBondContact O-N 2.79Å; I32-V35 HydrophobicContact CG2-CG2 3.64Å; I32-N65 PolarHBondContact O-ND2 2.98Å; I32-V86 WeakPolarHBondContact CG2-O 3.49Å; I32-F87 HydrophobicContact CD1-CE1 4.22Å; I32-F87 HydrophobicContact CG1-CD1 3.8Å; I32-F87 HydrophobicContact CG1-CE1 3.69Å; I32-L109 HydrophobicContact CD1-CD1 4.05Å; I32-L109 HydrophobicContact CD1-CD2 3.8Å; I32-L109 HydrophobicContact CD1-CG 4.07Å
33S94Very high94.4Very high50 Ų5045.9 Ų45.935%0.3525%0.248SC..EExtended strand (participates in β ladder)trans-88.5-42.4178.156.50000112C68 S69 V86 F87S33-C68 WeakPolarHBondContact O-CA 3.47Å; S33-S69 PolarHBondContact O-N 3.48Å; S33-S69 VanDerWaalsContact O-N 3.08Å; S33-V86 PolarHBondContact N-O 3.45Å; S33-V86 VanDerWaalsContact OG-C 3.32Å; S33-V86 WeakPolarHBondContact OG-CG1 3.36Å; S33-V86 PolarHBondContact OG-O 2.84Å; S33-F87 PolarHBondContact OG-O 2.87Å
34S95.9Very high94.1Very high35 Ų3551.4 Ų51.425%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-147.7144.5177.164.40000112.8S69 C85 V86S34-S69 CarbonylContact C-O 3.57Å; S34-S69 VanDerWaalsContact CA-O 3.23Å; S34-S69 WeakPolarHBondContact CA-O 3.38Å; S34-C85 CarbonylContact O-C 3.48Å; S34-C85 WeakPolarHBondContact O-CA 3.38Å; S34-V86 PolarHBondContact N-O 3.49Å; S34-V86 PolarHBondContact O-N 3.24Å; S34-V86 WeakPolarHBondContact OG-CB 3.42Å; S34-V86 WeakPolarHBondContact OG-CG2 3.35Å
35V96.8Very high93.9Very high0 Ų051.7 Ų51.70%029%0.287CS..EExtended strand (participates in β ladder)trans-120.4127.6171.3-178.20000108I32 V37 F52 V56 S69 V70 D71 Q84I32-V35 HydrophobicContact CG2-CG2 3.64Å; V35-V37 HydrophobicContact CG1-CG2 4.13Å; V35-F52 HydrophobicContact CG1-CE1 3.83Å; V35-F52 HydrophobicContact CG1-CZ 4.32Å; V35-V56 HydrophobicContact CG2-CG1 4.44Å; V35-S69 PolarHBondContact N-O 3.36Å; V35-V70 HydrophobicContact CB-CG1 4.39Å; V35-V70 HydrophobicContact CB-CG2 4.42Å; V35-V70 CarbonylContact O-C 3.58Å; V35-V70 WeakPolarHBondContact O-CA 3.36Å; V35-D71 PolarHBondContact O-N 3.42Å; V35-Q84 CarbonylContact C-O 3.5Å; V35-Q84 WeakPolarHBondContact CA-O 3.47Å
36S97Very high93.9Very high41 Ų4145.9 Ų45.929%0.28726%0.262SS..EExtended strand (participates in β ladder)trans-120.2132.3172.762.20000109.7D71 Q84S36-D71 CarbonylContact C-O 3.28Å; S36-D71 VanDerWaalsContact CA-O 3.29Å; S36-D71 WeakPolarHBondContact CA-O 3.33Å; S36-Q84 PolarHBondContact N-O 2.99Å; S36-Q84 PolarHBondContact O-N 3.42Å; S36-Q84 WeakPolarHBondContact OG-CB 3.21Å; S36-Q84 PolarHBondContact OG-O 3.11Å
37V97.3Very high94Very high1 Ų148.5 Ų48.51%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-125.8118.9179.1-173.80000109.2V35 F39 A49 F52 L53 D71 F72 S73 V83V35-V37 HydrophobicContact CG1-CG2 4.13Å; V37-F39 HydrophobicContact CG1-CD1 4.09Å; V37-A49 HydrophobicContact CG1-CB 4.08Å; V37-F52 HydrophobicContact CG2-CD1 4.03Å; V37-F52 HydrophobicContact CG2-CE1 4.12Å; V37-L53 HydrophobicContact CB-CD1 4.48Å; V37-L53 HydrophobicContact CG2-CD1 4.19Å; V37-D71 PolarHBondContact N-O 3.34Å; V37-F72 HydrophobicContact CB-CB 4.44Å; V37-F72 CarbonylContact O-C 3.5Å; V37-F72 WeakPolarHBondContact O-CA 3.44Å; V37-F72 WeakPolarHBondContact O-CB 3.48Å; V37-S73 PolarHBondContact O-N 2.83Å; V37-V83 HydrophobicContact CG1-CG2 4.08Å; V37-V83 HydrophobicContact CG2-CG2 4.23Å
38Q96.5Very high94.1Very high65 Ų6548.6 Ų48.630%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-110.9131.3174.1-179.7174.4-2.300109.5S73 T75 P81 T82Q38-S73 WeakPolarHBondContact CA-O 3.42Å; Q38-S73 WeakPolarHBondContact CA-OG 3.29Å; Q38-S73 WeakPolarHBondContact CB-OG 3.29Å; Q38-S73 VanDerWaalsContact CG-OG 3.25Å; Q38-S73 WeakPolarHBondContact CG-OG 3.22Å; Q38-T75 HydrophobicContact CG-CG2 4.16Å; Q38-P81 CarbonylContact O-C 3.57Å; Q38-P81 VanDerWaalsContact O-CA 3.27Å; Q38-P81 WeakPolarHBondContact O-CA 3.44Å; Q38-T82 PolarHBondContact N-O 2.9Å; Q38-T82 PolarHBondContact O-N 3.35Å
39F96.4Very high94.3Very high19 Ų1944.7 Ų44.78%0.08325%0.247CC..EExtended strand (participates in β ladder)trans-153.6155172.465.5-87.2000111.7V37 N46 R50 L53 S73 V74 T75 P81V37-F39 HydrophobicContact CG1-CD1 4.09Å; F39-N46 HydrophobicContact CB-CB 4.14Å; F39-N46 HydrophobicContact CD2-CB 4.2Å; F39-R50 HydrophobicContact CD1-CG 4.38Å; F39-R50 HydrophobicContact CD2-CG 3.82Å; F39-R50 HydrophobicContact CE1-CG 4.13Å; F39-R50 HydrophobicContact CE2-CG 3.54Å; F39-R50 HydrophobicContact CG-CG 4.24Å; F39-R50 HydrophobicContact CZ-CG 3.71Å; F39-L53 HydrophobicContact CE1-CD2 4.11Å; F39-S73 PolarHBondContact N-O 3.15Å; F39-S73 VanDerWaalsContact N-O 3.11Å; F39-V74 HydrophobicContact CE1-CG2 4.44Å; F39-V74 HydrophobicContact CE2-CG2 4.39Å; F39-V74 HydrophobicContact CZ-CG2 4.01Å; F39-V74 WeakPolarHBondContact O-CA 3.48Å; F39-T75 PolarHBondContact O-N 2.95Å; F39-T75 VanDerWaalsContact O-N 3.11Å; F39-P81 HydrophobicContact CB-CB 3.84Å
40D95.8Very high94.5Very high2 Ų250.9 Ų50.91%0.01127%0.27CS..  trans-97.5126.9169.1-178.1-37000109.8F42 V43 N46 T75 N76 D77 R78D40-F42 PolarHBondContact O-N 2.91Å; D40-F42 WeakPolarHBondContact OD1-CA 3.44Å; D40-F42 WeakPolarHBondContact OD1-CB 3.48Å; D40-F42 WeakPolarHBondContact OD1-CD2 3.45Å; D40-F42 PolarHBondContact OD1-N 2.9Å; D40-V43 HydrophobicContact CB-CB 4.36Å; D40-V43 HydrophobicContact CB-CG2 3.75Å; D40-V43 PolarHBondContact O-N 2.76Å; D40-N46 WeakPolarHBondContact O-CB 3.39Å; D40-N46 PolarHBondContact O-ND2 3.38Å; D40-T75 WeakPolarHBondContact CA-O 3.27Å; D40-T75 VanDerWaalsContact CB-O 3.29Å; D40-T75 WeakPolarHBondContact CB-O 3.48Å; D40-N76 VanDerWaalsContact OD2-C 3.24Å; D40-N76 WeakPolarHBondContact OD2-CA 3.45Å; D40-D77 PolarHBondContact OD2-N 3.36Å; D40-R78 VanDerWaalsContact OD2-CA 3.27Å; D40-R78 WeakPolarHBondContact OD2-CA 3.14Å; D40-R78 PolarHBondContact OD2-N 3.48Å
41P94.6Very high94.7Very high54 Ų5450.2 Ų50.235%0.35126%0.258SS..THydrogen-bonded Turntrans-66.3-24.2-176.827.5-32.7000113.4N46 V74 T75P41-N46 WeakPolarHBondContact CA-ND2 3.22Å; P41-N46 PolarHBondContact O-ND2 2.68Å; P41-V74 HydrophobicContact CG-CG1 3.91Å; P41-T75 WeakPolarHBondContact CD-O 3.5Å
42F94.2Very high95Very high164 Ų16448.7 Ų48.772%0.71925%0.247SC*.THydrogen-bonded Turntrans-88.4-13.7-176.7-56.9-68.5000113.4D40D40-F42 PolarHBondContact O-N 2.91Å; D40-F42 WeakPolarHBondContact OD1-CA 3.44Å; D40-F42 WeakPolarHBondContact OD1-CB 3.48Å; D40-F42 WeakPolarHBondContact OD1-CD2 3.45Å; D40-F42 PolarHBondContact OD1-N 2.9Å
43V92.8Very high95.2Very high23 Ų2349.8 Ų49.814%0.13925%0.253CS..SBendtrans-83.1127.6177.1-178.80000110.1D40 T45 N46 R78D40-V43 HydrophobicContact CB-CB 4.36Å; D40-V43 HydrophobicContact CB-CG2 3.75Å; D40-V43 PolarHBondContact O-N 2.76Å; V43-T45 VanDerWaalsContact CG1-OG1 3.25Å; V43-T45 WeakPolarHBondContact CG1-OG1 3.38Å; V43-T45 PolarHBondContact O-N 3.01Å; V43-T45 VanDerWaalsContact O-N 3.16Å; V43-N46 WeakPolarHBondContact O-CB 3.25Å; V43-N46 PolarHBondContact O-N 2.9Å; V43-N46 PolarHBondContact O-ND2 3.03Å; V43-N46 VanDerWaalsContact O-ND2 3.14Å; V43-N46 PolarHBondContact O-OD1 3.11Å; V43-R78 HydrophobicContact CG2-CB 4.33Å
44P90.1Very high95.3Very high119 Ų11953.2 Ų53.277%0.77327%0.267SS*.G310 helixtrans-65.9-21.3-174.425.5-35.2000114.2N46P44-N46 VanDerWaalsContact C-N 3.29Å; P44-N46 PolarHBondContact O-N 2.95Å
45T91.6Very high95.3Very high51 Ų5152.2 Ų52.231%0.31326%0.26SS..G310 helixtrans-78.8-9-178.858.60000113.5V43 R47 P81 A98V43-T45 VanDerWaalsContact CG1-OG1 3.25Å; V43-T45 WeakPolarHBondContact CG1-OG1 3.38Å; V43-T45 PolarHBondContact O-N 3.01Å; V43-T45 VanDerWaalsContact O-N 3.16Å; T45-R47 PolarHBondContact O-N 3.47Å; T45-P81 WeakPolarHBondContact OG1-CD 3.44Å; T45-A98 WeakPolarHBondContact CG2-O 3.24Å
46N94.5Very high95.3Very high9 Ų952.4 Ų52.45%0.04826%0.261CS..G310 helixtrans-65.8-10.5-177.67113.4000115.5F39 D40 P41 V43 P44 S48 A49 R50F39-N46 HydrophobicContact CB-CB 4.14Å; F39-N46 HydrophobicContact CD2-CB 4.2Å; D40-N46 WeakPolarHBondContact O-CB 3.39Å; D40-N46 PolarHBondContact O-ND2 3.38Å; P41-N46 WeakPolarHBondContact CA-ND2 3.22Å; P41-N46 PolarHBondContact O-ND2 2.68Å; V43-N46 WeakPolarHBondContact O-CB 3.25Å; V43-N46 PolarHBondContact O-N 2.9Å; V43-N46 PolarHBondContact O-ND2 3.03Å; V43-N46 VanDerWaalsContact O-ND2 3.14Å; V43-N46 PolarHBondContact O-OD1 3.11Å; P44-N46 VanDerWaalsContact C-N 3.29Å; P44-N46 PolarHBondContact O-N 2.95Å; N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.38Å; N46-A49 PolarHBondContact O-N 3.47Å; N46-R50 WeakPolarHBondContact O-CG 3.47Å; N46-R50 PolarHBondContact O-N 3.38Å
47R94.8Very high95.2Very high173 Ų17354.6 Ų54.665%0.65327%0.265SS*.Hα-helixtrans-58.3-43.7-170.5-177.7-179.3178.5177.73.5112.2T45 Q51T45-R47 PolarHBondContact O-N 3.47Å; R47-Q51 WeakPolarHBondContact O-CB 3.47Å; R47-Q51 VanDerWaalsContact O-CG 3.23Å; R47-Q51 WeakPolarHBondContact O-CG 3.35Å; R47-Q51 PolarHBondContact O-N 3.07Å
48S95.2Very high95.1Very high9 Ų956.4 Ų56.46%0.06328%0.278CS..Hα-helixtrans-64.9-46.3-178.7520000111.5N46 Q51 F52 C97 L100N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.38Å; S48-Q51 PolarHBondContact O-N 2.97Å; S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 PolarHBondContact O-N 2.84Å; S48-C97 PolarHBondContact OG-O 3.14Å; S48-L100 WeakPolarHBondContact CB-O 3.43Å; S48-L100 PolarHBondContact OG-O 3.11Å
49A95.9Very high95Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-63.3-42177.100000112.7V37 N46 Q51 F52 L53 P81 V83 C97V37-A49 HydrophobicContact CG1-CB 4.08Å; N46-A49 PolarHBondContact O-N 3.47Å; A49-Q51 PolarHBondContact O-N 2.92Å; A49-F52 WeakPolarHBondContact O-CB 3.17Å; A49-F52 PolarHBondContact O-N 2.91Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 PolarHBondContact O-N 3.34Å; A49-P81 HydrophobicContact CB-CB 3.74Å; A49-V83 HydrophobicContact CB-CG2 4.43Å; A49-C97 HydrophobicContact CB-CB 4.2Å
50R95.9Very high94.9Very high134 Ų13464.3 Ų64.351%0.50631%0.314SS..Hα-helixtrans-62.6-42.9174.7-73.1174.959.9-165.7-0.4112.3F39 N46 L53 N54F39-R50 HydrophobicContact CD1-CG 4.38Å; F39-R50 HydrophobicContact CD2-CG 3.82Å; F39-R50 HydrophobicContact CE1-CG 4.13Å; F39-R50 HydrophobicContact CE2-CG 3.54Å; F39-R50 HydrophobicContact CG-CG 4.24Å; F39-R50 HydrophobicContact CZ-CG 3.71Å; N46-R50 WeakPolarHBondContact O-CG 3.47Å; N46-R50 PolarHBondContact O-N 3.38Å; R50-L53 PolarHBondContact O-N 2.95Å; R50-N54 PolarHBondContact O-N 3.19Å; R50-N54 VanDerWaalsContact O-N 3.1Å
51Q96.4Very high94.9Very high72 Ų7264.3 Ų64.334%0.33631%0.314SS..Hα-helixtrans-64.8-41.7175.8-74.3176.7-25.400111.4R47 S48 A49 N54 V55 L102R47-Q51 WeakPolarHBondContact O-CB 3.47Å; R47-Q51 VanDerWaalsContact O-CG 3.23Å; R47-Q51 WeakPolarHBondContact O-CG 3.35Å; R47-Q51 PolarHBondContact O-N 3.07Å; S48-Q51 PolarHBondContact O-N 2.97Å; A49-Q51 PolarHBondContact O-N 2.92Å; Q51-N54 PolarHBondContact O-N 2.67Å; Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.29Å; Q51-L102 HydrophobicContact CB-CD1 3.94Å; Q51-L102 HydrophobicContact CB-CD2 3.97Å; Q51-L102 HydrophobicContact CB-CG 4.39Å
52F96.7Very high94.9Very high1 Ų165.6 Ų65.60%0.00431%0.314CS..Hα-helixtrans-59.9-47.4175.3174.4-100.8000111.6V35 V37 S48 A49 N54 V55 V56 V83 L102 I105 L106 L109V35-F52 HydrophobicContact CG1-CE1 3.83Å; V35-F52 HydrophobicContact CG1-CZ 4.32Å; V37-F52 HydrophobicContact CG2-CD1 4.03Å; V37-F52 HydrophobicContact CG2-CE1 4.12Å; S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 PolarHBondContact O-N 2.84Å; A49-F52 WeakPolarHBondContact O-CB 3.17Å; A49-F52 PolarHBondContact O-N 2.91Å; F52-N54 VanDerWaalsContact C-N 3.3Å; F52-N54 PolarHBondContact O-N 3.39Å; F52-V55 WeakPolarHBondContact O-CB 3.41Å; F52-V55 PolarHBondContact O-N 2.99Å; F52-V55 VanDerWaalsContact O-N 3.08Å; F52-V56 HydrophobicContact CD1-CG2 4.21Å; F52-V56 HydrophobicContact CD2-CG2 4.22Å; F52-V56 HydrophobicContact CE1-CG2 3.73Å; F52-V56 HydrophobicContact CE2-CG2 3.75Å; F52-V56 HydrophobicContact CG-CG2 4.44Å; F52-V56 HydrophobicContact CZ-CG2 3.49Å; F52-V56 VanDerWaalsContact CZ-CG2 3.49Å; F52-V56 WeakPolarHBondContact O-CG2 3.3Å; F52-V56 PolarHBondContact O-N 3.49Å; F52-V83 HydrophobicContact CD1-CG1 3.95Å; F52-V83 HydrophobicContact CD1-CG2 3.8Å; F52-V83 HydrophobicContact CE1-CB 4.46Å; F52-V83 HydrophobicContact CE1-CG1 3.41Å; F52-V83 VanDerWaalsContact CE1-CG1 3.41Å; F52-V83 HydrophobicContact CE1-CG2 4.14Å; F52-V83 HydrophobicContact CZ-CG1 3.95Å; F52-L102 HydrophobicContact CB-CD1 4Å; F52-I105 HydrophobicContact CD2-CG2 3.58Å; F52-I105 HydrophobicContact CE2-CG2 3.84Å; F52-I105 HydrophobicContact CG-CG2 4.02Å; F52-I105 HydrophobicContact CZ-CG2 4.49Å; F52-L106 HydrophobicContact CD2-CD2 3.78Å; F52-L106 HydrophobicContact CE2-CD2 4.05Å; F52-L109 HydrophobicContact CE2-CD1 3.79Å; F52-L109 HydrophobicContact CZ-CD1 3.84Å
53L96.8Very high94.9Very high23 Ų2364.5 Ų64.512%0.1231%0.312CS..Hα-helixtrans-57-43.4176.2-179.462.5000111.8V37 F39 A49 R50 V55 V56 K57 V70 F72V37-L53 HydrophobicContact CB-CD1 4.48Å; V37-L53 HydrophobicContact CG2-CD1 4.19Å; F39-L53 HydrophobicContact CE1-CD2 4.11Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 PolarHBondContact O-N 3.34Å; R50-L53 PolarHBondContact O-N 2.95Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 3.02Å; L53-K57 HydrophobicContact CD1-CG 4.15Å; L53-K57 WeakPolarHBondContact O-CB 3.3Å; L53-K57 WeakPolarHBondContact O-CG 3.27Å; L53-K57 PolarHBondContact O-N 3.49Å; L53-V70 HydrophobicContact CD1-CG1 4.15Å; L53-F72 HydrophobicContact CD1-CB 4.16Å; L53-F72 HydrophobicContact CD1-CD1 4.34Å; L53-F72 HydrophobicContact CD1-CG 4.49Å; L53-F72 HydrophobicContact CD2-CB 3.87Å; L53-F72 HydrophobicContact CD2-CD1 4.33Å; L53-F72 HydrophobicContact CD2-CD2 4.38Å; L53-F72 HydrophobicContact CD2-CG 3.94Å
54N96.6Very high94.9Very high122 Ų12265.8 Ų65.865%0.65232%0.32SS*.Hα-helixtrans-63.6-38.2176.6-17238.4000112.5R50 Q51 F52 S58R50-N54 PolarHBondContact O-N 3.19Å; R50-N54 VanDerWaalsContact O-N 3.1Å; Q51-N54 PolarHBondContact O-N 2.67Å; F52-N54 VanDerWaalsContact C-N 3.3Å; F52-N54 PolarHBondContact O-N 3.39Å; N54-S58 PolarHBondContact O-N 2.92Å; N54-S58 VanDerWaalsContact O-N 3.14Å
55V96.5Very high95.1Very high15 Ų1561.5 Ų61.59%0.09129%0.29CS..Hα-helixtrans-64.4-50.4175.2169.40000110.3I24 L27 Q51 F52 L53 K57 S58 I61 L106I24-V55 HydrophobicContact CD1-CG1 4.45Å; I24-V55 HydrophobicContact CD1-CG2 3.74Å; I24-V55 HydrophobicContact CG1-CG1 3.95Å; I24-V55 HydrophobicContact CG1-CG2 4.08Å; I24-V55 HydrophobicContact CG2-CG1 4.24Å; L27-V55 HydrophobicContact CD1-CG1 3.68Å; Q51-V55 WeakPolarHBondContact O-CG2 3.46Å; Q51-V55 PolarHBondContact O-N 3.29Å; F52-V55 WeakPolarHBondContact O-CB 3.41Å; F52-V55 PolarHBondContact O-N 2.99Å; F52-V55 VanDerWaalsContact O-N 3.08Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.12Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.84Å; V55-S58 VanDerWaalsContact O-CB 3.24Å; V55-S58 WeakPolarHBondContact O-CB 3.48Å; V55-S58 PolarHBondContact O-N 3.34Å; V55-S58 VanDerWaalsContact O-N 3.07Å; V55-S58 PolarHBondContact O-OG 3.01Å; V55-I61 HydrophobicContact CG1-CD1 3.39Å; V55-I61 WeakPolarHBondContact O-CD1 3.1Å; V55-L106 HydrophobicContact CG1-CD2 4.5Å
56V95.6Very high95.2Very high3 Ų363.3 Ų63.32%0.01830%0.303CS..Hα-helixtrans-62.8-37.6-178.9174.20000112L29 V35 F52 L53 S58 V70L29-V56 HydrophobicContact CD1-CG1 4.01Å; L29-V56 HydrophobicContact CD2-CG1 4.45Å; V35-V56 HydrophobicContact CG2-CG1 4.44Å; F52-V56 HydrophobicContact CD1-CG2 4.21Å; F52-V56 HydrophobicContact CD2-CG2 4.22Å; F52-V56 HydrophobicContact CE1-CG2 3.73Å; F52-V56 HydrophobicContact CE2-CG2 3.75Å; F52-V56 HydrophobicContact CG-CG2 4.44Å; F52-V56 HydrophobicContact CZ-CG2 3.49Å; F52-V56 VanDerWaalsContact CZ-CG2 3.49Å; F52-V56 WeakPolarHBondContact O-CG2 3.3Å; F52-V56 PolarHBondContact O-N 3.49Å; L53-V56 PolarHBondContact O-N 3.02Å; V56-S58 VanDerWaalsContact C-N 3.29Å; V56-S58 PolarHBondContact O-N 3.29Å; V56-V70 HydrophobicContact CG1-CB 4.49Å; V56-V70 HydrophobicContact CG1-CG1 3.81Å; V56-V70 HydrophobicContact CG1-CG2 3.8Å
57K95.1Very high95.1Very high87 Ų8772.2 Ų72.238%0.37834%0.341SS..THydrogen-bonded Turntrans-80.5-3.2176.4-71.2-72.7-169.9-1760114.1L53 V55 V70L53-K57 HydrophobicContact CD1-CG 4.15Å; L53-K57 WeakPolarHBondContact O-CB 3.3Å; L53-K57 WeakPolarHBondContact O-CG 3.27Å; L53-K57 PolarHBondContact O-N 3.49Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.84Å; K57-V70 HydrophobicContact CD-CB 4.31Å; K57-V70 HydrophobicContact CD-CG1 4.06Å; K57-V70 VanDerWaalsContact CE-CG1 3.44Å; K57-V70 WeakPolarHBondContact CE-O 3.27Å; K57-V70 HydrophobicContact CG-CG1 4.31Å; K57-V70 PolarHBondContact NZ-O 3.27Å
58S95.5Very high95.1Very high40 Ų4064.3 Ų64.328%0.2831%0.312SS..SBendtrans-64.5140.9177.671.80000111N54 V55 V56 R60 I61 F62N54-S58 PolarHBondContact O-N 2.92Å; N54-S58 VanDerWaalsContact O-N 3.14Å; V55-S58 VanDerWaalsContact O-CB 3.24Å; V55-S58 WeakPolarHBondContact O-CB 3.48Å; V55-S58 PolarHBondContact O-N 3.34Å; V55-S58 VanDerWaalsContact O-N 3.07Å; V55-S58 PolarHBondContact O-OG 3.01Å; V56-S58 VanDerWaalsContact C-N 3.29Å; V56-S58 PolarHBondContact O-N 3.29Å; S58-R60 PolarHBondContact O-N 3.1Å; S58-R60 VanDerWaalsContact O-N 3.11Å; S58-I61 PolarHBondContact O-N 3.08Å; S58-F62 WeakPolarHBondContact O-CB 3.37Å; S58-F62 PolarHBondContact O-N 2.88Å
59N95Very high95.1Very high127 Ų12766.4 Ų66.468%0.67933%0.327SS*.Hα-helixtrans-50.5-42.9-175.6-71.7-4.4000113Q63N59-Q63 WeakPolarHBondContact O-CB 3.29Å; N59-Q63 WeakPolarHBondContact O-CG 3.17Å; N59-Q63 PolarHBondContact O-N 3.28Å
60R94.2Very high95.1Very high122 Ų12266.9 Ų66.946%0.4633%0.33SS..Hα-helixtrans-59.7-48.8179.5175.4-177.6165.8157.40.2112F25 S58F25-R60 VanDerWaalsContact CD2-CZ 3.5Å; F25-R60 VanDerWaalsContact CG-NH2 3.31Å; F25-R60 PolarHBondContact O-NH2 3.11Å; S58-R60 PolarHBondContact O-N 3.1Å; S58-R60 VanDerWaalsContact O-N 3.11Å
61I95.1Very high95.1Very high2 Ų264.8 Ų64.81%0.0133%0.329CS..Hα-helixtrans-75.7-41.2-175.2-67179.1000109.8I24 L27 L29 V55 S58 Q63 T64I24-I61 HydrophobicContact CG2-CD1 4.04Å; L27-I61 HydrophobicContact CB-CD1 4.11Å; L27-I61 HydrophobicContact CD1-CD1 4.06Å; L29-I61 HydrophobicContact CD1-CG2 3.71Å; L29-I61 HydrophobicContact CD2-CG2 4.23Å; L29-I61 HydrophobicContact CG-CG2 3.63Å; V55-I61 HydrophobicContact CG1-CD1 3.39Å; V55-I61 WeakPolarHBondContact O-CD1 3.1Å; S58-I61 PolarHBondContact O-N 3.08Å; I61-Q63 VanDerWaalsContact C-N 3.25Å; I61-Q63 PolarHBondContact O-N 2.83Å; I61-T64 WeakPolarHBondContact O-CB 3.41Å; I61-T64 PolarHBondContact O-N 2.99Å; I61-T64 PolarHBondContact O-OG1 3.5Å
62F93.7Very high95.1Very high81 Ų8167.1 Ų67.136%0.35534%0.338SS..Hα-helixtrans-57.6-38175.7-175-105.2000112.5S58 T64 N65S58-F62 WeakPolarHBondContact O-CB 3.37Å; S58-F62 PolarHBondContact O-N 2.88Å; F62-T64 PolarHBondContact O-N 3.29Å; F62-N65 CarbonylContact O-C 3.59Å; F62-N65 VanDerWaalsContact O-C 3.28Å; F62-N65 PolarHBondContact O-N 3.47Å
63Q94.4Very high95.1Very high142 Ų14269.5 Ų69.566%0.66435%0.354SS*.THydrogen-bonded Turntrans-64.5-23.1176.2-78.7171.9-3.800114.3N59 I61 N65N59-Q63 WeakPolarHBondContact O-CB 3.29Å; N59-Q63 WeakPolarHBondContact O-CG 3.17Å; N59-Q63 PolarHBondContact O-N 3.28Å; I61-Q63 VanDerWaalsContact C-N 3.25Å; I61-Q63 PolarHBondContact O-N 2.83Å; Q63-N65 VanDerWaalsContact C-N 3.28Å; Q63-N65 PolarHBondContact O-N 2.85Å
64T93.9Very high95Very high50 Ų5072.2 Ų72.231%0.30737%0.372SS..THydrogen-bonded Turntrans-67.4-30.2178.966.20000112.6L29 I61 F62L29-T64 PolarHBondContact N-OG1 3.4Å; I61-T64 WeakPolarHBondContact O-CB 3.41Å; I61-T64 PolarHBondContact O-N 2.99Å; I61-T64 PolarHBondContact O-OG1 3.5Å; F62-T64 PolarHBondContact O-N 3.29Å
65N94.1Very high94.9Very high28 Ų2867.6 Ų67.615%0.1535%0.348CS..  trans-151.788.5172.6-173.91.7000110.8L29 I32 F62 Q63 K67 C68L29-N65 HydrophobicContact CB-CB 3.89Å; L29-N65 VanDerWaalsContact O-CB 3.29Å; L29-N65 WeakPolarHBondContact O-CB 3.27Å; L29-N65 PolarHBondContact O-ND2 3.27Å; I32-N65 PolarHBondContact O-ND2 2.98Å; F62-N65 CarbonylContact O-C 3.59Å; F62-N65 VanDerWaalsContact O-C 3.28Å; F62-N65 PolarHBondContact O-N 3.47Å; Q63-N65 VanDerWaalsContact C-N 3.28Å; Q63-N65 PolarHBondContact O-N 2.85Å; N65-K67 PolarHBondContact O-N 3.28Å; N65-K67 VanDerWaalsContact O-N 3.15Å; N65-K67 WeakPolarHBondContact OD1-CB 3.5Å; N65-K67 PolarHBondContact OD1-N 2.91Å; N65-C68 HydrophobicContact CB-CB 4.2Å; N65-C68 WeakPolarHBondContact O-CB 3.43Å; N65-C68 PolarHBondContact O-N 3.11Å; N65-C68 VanDerWaalsContact O-N 3.15Å; N65-C68 PolarHBondContact OD1-N 2.82Å
66P93Very high94.8Very high89 Ų8972.3 Ų72.358%0.57837%0.373SS*.THydrogen-bonded Turntrans-65.5-15.6179-22.133.9000114.1
67K93.2Very high94.6Very high197 Ų19777.4 Ų77.486%0.85740%0.4SS*.THydrogen-bonded Turntrans-85-11.9178.7-61.4-178.8178.9179.40112.7N65 S69N65-K67 PolarHBondContact O-N 3.28Å; N65-K67 VanDerWaalsContact O-N 3.15Å; N65-K67 WeakPolarHBondContact OD1-CB 3.5Å; N65-K67 PolarHBondContact OD1-N 2.91Å; K67-S69 PolarHBondContact O-N 3.02Å
68C94Very high94.4Very high7 Ų783.6 Ų83.65%0.04742%0.421CS..  trans-67.2122.1178.8-1780000110.2S33 N65S33-C68 WeakPolarHBondContact O-CA 3.47Å; N65-C68 HydrophobicContact CB-CB 4.2Å; N65-C68 WeakPolarHBondContact O-CB 3.43Å; N65-C68 PolarHBondContact O-N 3.11Å; N65-C68 VanDerWaalsContact O-N 3.15Å; N65-C68 PolarHBondContact OD1-N 2.82Å
69S94.9Very high94.2Very high53 Ų5384.5 Ų84.537%0.37143%0.427SS..EExtended strand (participates in β ladder)trans-74128.1173.5-165.60000109.2S33 S34 V35 K67 D71S33-S69 PolarHBondContact O-N 3.48Å; S33-S69 VanDerWaalsContact O-N 3.08Å; S34-S69 CarbonylContact C-O 3.57Å; S34-S69 VanDerWaalsContact CA-O 3.23Å; S34-S69 WeakPolarHBondContact CA-O 3.38Å; V35-S69 PolarHBondContact N-O 3.36Å; K67-S69 PolarHBondContact O-N 3.02Å; S69-D71 PolarHBondContact OG-OD2 3.26Å
70V96Very high94.1Very high10 Ų1081.5 Ų81.56%0.06142%0.415CS..EExtended strand (participates in β ladder)trans-123.899.6176.8-175.40000108.5V35 L53 V56 K57V35-V70 HydrophobicContact CB-CG1 4.39Å; V35-V70 HydrophobicContact CB-CG2 4.42Å; V35-V70 CarbonylContact O-C 3.58Å; V35-V70 WeakPolarHBondContact O-CA 3.36Å; L53-V70 HydrophobicContact CD1-CG1 4.15Å; V56-V70 HydrophobicContact CG1-CB 4.49Å; V56-V70 HydrophobicContact CG1-CG1 3.81Å; V56-V70 HydrophobicContact CG1-CG2 3.8Å; K57-V70 HydrophobicContact CD-CB 4.31Å; K57-V70 HydrophobicContact CD-CG1 4.06Å; K57-V70 VanDerWaalsContact CE-CG1 3.44Å; K57-V70 WeakPolarHBondContact CE-O 3.27Å; K57-V70 HydrophobicContact CG-CG1 4.31Å; K57-V70 PolarHBondContact NZ-O 3.27Å
71D96.2Very high94.2Very high90 Ų9075.7 Ų75.748%0.48139%0.393SS..EExtended strand (participates in β ladder)trans-105.3147.5-176.1-61.3-51.6000110.2V35 S36 V37 S69V35-D71 PolarHBondContact O-N 3.42Å; S36-D71 CarbonylContact C-O 3.28Å; S36-D71 VanDerWaalsContact CA-O 3.29Å; S36-D71 WeakPolarHBondContact CA-O 3.33Å; V37-D71 PolarHBondContact N-O 3.34Å; S69-D71 PolarHBondContact OG-OD2 3.26Å
72F96.4Very high94.2Very high121 Ų12176.2 Ų76.253%0.53140%0.397SS..EExtended strand (participates in β ladder)trans-144.1140.9176.862.1-86.9000110.9V37 L53 V74V37-F72 HydrophobicContact CB-CB 4.44Å; V37-F72 CarbonylContact O-C 3.5Å; V37-F72 WeakPolarHBondContact O-CA 3.44Å; V37-F72 WeakPolarHBondContact O-CB 3.48Å; L53-F72 HydrophobicContact CD1-CB 4.16Å; L53-F72 HydrophobicContact CD1-CD1 4.34Å; L53-F72 HydrophobicContact CD1-CG 4.49Å; L53-F72 HydrophobicContact CD2-CB 3.87Å; L53-F72 HydrophobicContact CD2-CD1 4.33Å; L53-F72 HydrophobicContact CD2-CD2 4.38Å; L53-F72 HydrophobicContact CD2-CG 3.94Å; F72-V74 HydrophobicContact CD2-CG2 4.37Å
73S96.2Very high94.4Very high50 Ų5072.4 Ų72.435%0.3538%0.38SS..EExtended strand (participates in β ladder)trans-123.5122179.258.70000110.1V37 Q38 F39V37-S73 PolarHBondContact O-N 2.83Å; Q38-S73 WeakPolarHBondContact CA-O 3.42Å; Q38-S73 WeakPolarHBondContact CA-OG 3.29Å; Q38-S73 WeakPolarHBondContact CB-OG 3.29Å; Q38-S73 VanDerWaalsContact CG-OG 3.25Å; Q38-S73 WeakPolarHBondContact CG-OG 3.22Å; F39-S73 PolarHBondContact N-O 3.15Å; F39-S73 VanDerWaalsContact N-O 3.11Å
74V96.1Very high94.5Very high80 Ų8069.5 Ų69.549%0.48537%0.367SS..EExtended strand (participates in β ladder)trans-97.1111.3175.4-174.90000107.6F39 P41 F72F39-V74 HydrophobicContact CE1-CG2 4.44Å; F39-V74 HydrophobicContact CE2-CG2 4.39Å; F39-V74 HydrophobicContact CZ-CG2 4.01Å; F39-V74 WeakPolarHBondContact O-CA 3.48Å; P41-V74 HydrophobicContact CG-CG1 3.91Å; F72-V74 HydrophobicContact CD2-CG2 4.37Å
75T94.4Very high94.5Very high26 Ų2667.2 Ų67.216%0.1635%0.352CS..  trans-109.8160.2-177.451.70000111.3Q38 F39 D40 P41Q38-T75 HydrophobicContact CG-CG2 4.16Å; F39-T75 PolarHBondContact O-N 2.95Å; F39-T75 VanDerWaalsContact O-N 3.11Å; D40-T75 WeakPolarHBondContact CA-O 3.27Å; D40-T75 VanDerWaalsContact CB-O 3.29Å; D40-T75 WeakPolarHBondContact CB-O 3.48Å; P41-T75 WeakPolarHBondContact CD-O 3.5Å
76N93.8Very high94.5Very high113 Ų11367.6 Ų67.660%0.60436%0.356SS*.  trans-118.330178.3-69.8-18.9000112.2D40D40-N76 VanDerWaalsContact OD2-C 3.24Å; D40-N76 WeakPolarHBondContact OD2-CA 3.45Å
77D91.9Very high94.6Very high110 Ų11063.8 Ų63.859%0.58833%0.33SS*.SBendtrans-95.46.3-171.4-55.3-43.8000113.2D40 C79D40-D77 PolarHBondContact OD2-N 3.36Å; D77-C79 PolarHBondContact O-N 3.34Å; D77-C79 VanDerWaalsContact O-N 3.11Å
78R90.7Very high94.4Very high218 Ų21857.9 Ų57.982%0.82332%0.318SS*.  trans5719.1-171.8-54.9179.2178.2178.6-0.4113.7D40 V43D40-R78 VanDerWaalsContact OD2-CA 3.27Å; D40-R78 WeakPolarHBondContact OD2-CA 3.14Å; D40-R78 PolarHBondContact OD2-N 3.48Å; V43-R78 HydrophobicContact CG2-CB 4.33Å
79C91.4Very high94.1Very high59 Ų5962.1 Ų62.140%0.39934%0.34SS..PPolyproline II helixtrans-71152.2178.2-68.10000111.7D77D77-C79 PolarHBondContact O-N 3.34Å; D77-C79 VanDerWaalsContact O-N 3.11Å
80S92.6Very high93.8Very high63 Ų6362 Ų6244%0.44135%0.348SS..PPolyproline II helixtrans-59.9142.6171.7-68.30000110.7
81P96.2Very high93.5Very high0 Ų065.9 Ų65.90%036%0.361CS..PPolyproline II helixtrans-66.7137.517529.7-36.4000110.4Q38 F39 T45 A49 C97Q38-P81 CarbonylContact O-C 3.57Å; Q38-P81 VanDerWaalsContact O-CA 3.27Å; Q38-P81 WeakPolarHBondContact O-CA 3.44Å; F39-P81 HydrophobicContact CB-CB 3.84Å; T45-P81 WeakPolarHBondContact OG1-CD 3.44Å; A49-P81 HydrophobicContact CB-CB 3.74Å; P81-C97 HydrophobicContact CB-CB 4.11Å; P81-C97 HydrophobicContact CG-CB 3.83Å; P81-C97 WeakPolarHBondContact O-CB 3.38Å; P81-C97 PolarHBondContact O-N 2.92Å
82T95.8Very high93.4Very high13 Ų1370 Ų708%0.0837%0.374CS..EExtended strand (participates in β ladder)trans-127.4144-179.764.80000110.3Q38 Y94 C95Q38-T82 PolarHBondContact N-O 2.9Å; Q38-T82 PolarHBondContact O-N 3.35Å; T82-Y94 HydrophobicContact CG2-CE2 4.27Å; T82-Y94 WeakPolarHBondContact CG2-OH 3.14Å; T82-C95 WeakPolarHBondContact CA-O 3.17Å
83V96.4Very high93.3Very high1 Ų164.7 Ų64.71%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-122.8127172.7170.90000107.1V37 A49 F52 C95 C97V37-V83 HydrophobicContact CG1-CG2 4.08Å; V37-V83 HydrophobicContact CG2-CG2 4.23Å; A49-V83 HydrophobicContact CB-CG2 4.43Å; F52-V83 HydrophobicContact CD1-CG1 3.95Å; F52-V83 HydrophobicContact CD1-CG2 3.8Å; F52-V83 HydrophobicContact CE1-CB 4.46Å; F52-V83 HydrophobicContact CE1-CG1 3.41Å; F52-V83 VanDerWaalsContact CE1-CG1 3.41Å; F52-V83 HydrophobicContact CE1-CG2 4.14Å; F52-V83 HydrophobicContact CZ-CG1 3.95Å; V83-C95 HydrophobicContact CB-CB 4.41Å; V83-C95 PolarHBondContact N-O 3.39Å; V83-C95 PolarHBondContact O-N 3.16Å; V83-C97 WeakPolarHBondContact CG2-SG 3.46Å
84Q96.4Very high93.2Very high82 Ų8268.3 Ų68.338%0.38336%0.359SS..EExtended strand (participates in β ladder)trans-123.4130.3173.5-33-176.3-7.500110V35 S36 L93 Y94V35-Q84 CarbonylContact C-O 3.5Å; V35-Q84 WeakPolarHBondContact CA-O 3.47Å; S36-Q84 PolarHBondContact N-O 2.99Å; S36-Q84 PolarHBondContact O-N 3.42Å; S36-Q84 WeakPolarHBondContact OG-CB 3.21Å; S36-Q84 PolarHBondContact OG-O 3.11Å; Q84-L93 CarbonylContact C-O 3.5Å; Q84-L93 WeakPolarHBondContact CA-O 3.36Å; Q84-Y94 HydrophobicContact CG-CD2 3.74Å; Q84-Y94 HydrophobicContact CG-CE2 4.21Å
85C95.3Very high93.1Very high1 Ų165 Ų651%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-120132.2175.5-58.20000108.9S34 K92 L93S34-C85 CarbonylContact O-C 3.48Å; S34-C85 WeakPolarHBondContact O-CA 3.38Å; C85-K92 WeakPolarHBondContact O-CA 3.27Å; C85-L93 HydrophobicContact CB-CB 4.3Å; C85-L93 HydrophobicContact CB-CD2 4.08Å; C85-L93 PolarHBondContact N-O 3.13Å; C85-L93 PolarHBondContact O-N 3.3Å
86V94.5Very high93.1Very high37 Ų3767.9 Ų67.922%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-106130170.9-172.40000107.3I32 S33 S34 R91 K92I32-V86 WeakPolarHBondContact CG2-O 3.49Å; S33-V86 PolarHBondContact N-O 3.45Å; S33-V86 VanDerWaalsContact OG-C 3.32Å; S33-V86 WeakPolarHBondContact OG-CG1 3.36Å; S33-V86 PolarHBondContact OG-O 2.84Å; S34-V86 PolarHBondContact N-O 3.49Å; S34-V86 PolarHBondContact O-N 3.24Å; S34-V86 WeakPolarHBondContact OG-CB 3.42Å; S34-V86 WeakPolarHBondContact OG-CG2 3.35Å; V86-R91 WeakPolarHBondContact CA-O 3.37Å; V86-K92 HydrophobicContact CG1-CG 4.48Å; V86-K92 HydrophobicContact CG2-CG 4.34Å
87F93.3Very high93Very high9 Ų962.5 Ų62.54%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-91.4161.6177.2-64-90.4000110.6S31 I32 S33 D89 G90 R91 L93 F112S31-F87 CarbonylContact O-C 3.6Å; S31-F87 VanDerWaalsContact O-CA 3.32Å; S31-F87 WeakPolarHBondContact O-CA 3.49Å; I32-F87 HydrophobicContact CD1-CE1 4.22Å; I32-F87 HydrophobicContact CG1-CD1 3.8Å; I32-F87 HydrophobicContact CG1-CE1 3.69Å; S33-F87 PolarHBondContact OG-O 2.87Å; F87-D89 PolarHBondContact O-N 2.78Å; F87-G90 PolarHBondContact O-N 3.33Å; F87-R91 HydrophobicContact CB-CB 4.21Å; F87-R91 HydrophobicContact CD2-CB 3.91Å; F87-R91 HydrophobicContact CG-CB 4.42Å; F87-R91 PolarHBondContact N-O 3.29Å; F87-L93 HydrophobicContact CE2-CB 3.76Å; F87-L93 HydrophobicContact CZ-CB 4.46Å; F87-F112 HydrophobicContact CE2-CB 4.4Å; F87-F112 HydrophobicContact CZ-CB 3.87Å
88A89.9Confident93Very high73 Ų7358.8 Ų58.860%0.60331%0.31SS*.THydrogen-bonded Turntrans-57.6-31.8173.800000112S31 G90S31-A88 PolarHBondContact O-N 3.42Å; A88-G90 PolarHBondContact O-N 2.78Å; A88-G90 VanDerWaalsContact O-N 3.13Å
89D87.5Confident93.1Very high95 Ų9557.5 Ų57.551%0.50831%0.313SS..THydrogen-bonded Turntrans-73.92.9178.4-45.9-25.5000113.6F87 R91F87-D89 PolarHBondContact O-N 2.78Å; D89-R91 HydrophobicContact CB-CG 4.41Å; D89-R91 PolarHBondContact O-N 3.39Å
90G88Confident93.3Very high51 Ų5157 Ų5753%0.52631%0.306SS..SBendtrans81-4.7-176.800000114.8F87 A88F87-G90 PolarHBondContact O-N 3.33Å; A88-G90 PolarHBondContact O-N 2.78Å; A88-G90 VanDerWaalsContact O-N 3.13Å
91R90.1Very high93.4Very high92 Ų9256.5 Ų56.535%0.34730%0.303SS..  trans-62.5145.6174-65.6171.5177.6-169.7-15.2110.8V86 F87 D89 T119V86-R91 WeakPolarHBondContact CA-O 3.37Å; F87-R91 HydrophobicContact CB-CB 4.21Å; F87-R91 HydrophobicContact CD2-CB 3.91Å; F87-R91 HydrophobicContact CG-CB 4.42Å; F87-R91 PolarHBondContact N-O 3.29Å; D89-R91 HydrophobicContact CB-CG 4.41Å; D89-R91 PolarHBondContact O-N 3.39Å; R91-T119 PolarHBondContact NH1-OG1 3.3Å; R91-T119 VanDerWaalsContact NH2-CG2 3.25Å; R91-T119 PolarHBondContact NH2-OG1 3.17Å
92K94Very high93.4Very high175 Ų17557.2 Ų57.276%0.76131%0.306SS*.EExtended strand (participates in β ladder)trans-121.2129.3176.1-59-175.2-177.8178.90109.2C85 V86C85-K92 WeakPolarHBondContact O-CA 3.27Å; V86-K92 HydrophobicContact CG1-CG 4.48Å; V86-K92 HydrophobicContact CG2-CG 4.34Å
93L94.2Very high93.4Very high11 Ų1158 Ų586%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-108.1124.9171.3172.2133.4000107.8Q84 C85 F87 C95 I108 F112Q84-L93 CarbonylContact C-O 3.5Å; Q84-L93 WeakPolarHBondContact CA-O 3.36Å; C85-L93 HydrophobicContact CB-CB 4.3Å; C85-L93 HydrophobicContact CB-CD2 4.08Å; C85-L93 PolarHBondContact N-O 3.13Å; C85-L93 PolarHBondContact O-N 3.3Å; F87-L93 HydrophobicContact CE2-CB 3.76Å; F87-L93 HydrophobicContact CZ-CB 4.46Å; L93-C95 VanDerWaalsContact CD2-SG 3.58Å; L93-I108 HydrophobicContact CD1-CG2 3.76Å; L93-F112 HydrophobicContact CD1-CB 3.95Å; L93-F112 HydrophobicContact CD1-CD1 4.23Å; L93-F112 HydrophobicContact CD1-CD2 3.11Å; L93-F112 HydrophobicContact CD1-CE2 3.56Å; L93-F112 HydrophobicContact CD1-CG 3.51Å; L93-F112 HydrophobicContact CD1-CZ 4.27Å
94Y95.6Very high93.4Very high125 Ų12560.9 Ų60.949%0.4933%0.325SS..EExtended strand (participates in β ladder)trans-118.8130.1176177.3-87.9000108.2T82 Q84 D96T82-Y94 HydrophobicContact CG2-CE2 4.27Å; T82-Y94 WeakPolarHBondContact CG2-OH 3.14Å; Q84-Y94 HydrophobicContact CG-CD2 3.74Å; Q84-Y94 HydrophobicContact CG-CE2 4.21Å; Y94-D96 WeakPolarHBondContact CE1-OD1 3.21Å; Y94-D96 PolarHBondContact OH-OD1 2.98Å
95C93.8Very high93.4Very high10 Ų1057.2 Ų57.27%0.06831%0.308CS..EExtended strand (participates in β ladder)trans-134116.6-178.1-72.40000110.7T82 V83 L93 C97 L100T82-C95 WeakPolarHBondContact CA-O 3.17Å; V83-C95 HydrophobicContact CB-CB 4.41Å; V83-C95 PolarHBondContact N-O 3.39Å; V83-C95 PolarHBondContact O-N 3.16Å; L93-C95 VanDerWaalsContact CD2-SG 3.58Å; C95-C97 PolarHBondContact O-N 2.74Å; C95-C97 PolarHBondContact O-SG 3.14Å; C95-L100 HydrophobicContact CB-CD1 4.34Å
96D94.2Very high93.4Very high87 Ų8757.1 Ų57.147%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-75.8113.3166.8-69-38.3000109.4Y94 A98 L100Y94-D96 WeakPolarHBondContact CE1-OD1 3.21Å; Y94-D96 PolarHBondContact OH-OD1 2.98Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3Å; D96-L100 VanDerWaalsContact O-CD1 3.27Å; D96-L100 WeakPolarHBondContact O-CD1 3.43Å; D96-L100 WeakPolarHBondContact O-CG 3.4Å
97C92Very high93.4Very high0 Ų058.8 Ų58.80%032%0.315CS..THydrogen-bonded Turntrans-88.45.9-171.7-63.10000113.5S48 A49 P81 V83 C95 Q99 L100 I105S48-C97 PolarHBondContact OG-O 3.14Å; A49-C97 HydrophobicContact CB-CB 4.2Å; P81-C97 HydrophobicContact CB-CB 4.11Å; P81-C97 HydrophobicContact CG-CB 3.83Å; P81-C97 WeakPolarHBondContact O-CB 3.38Å; P81-C97 PolarHBondContact O-N 2.92Å; V83-C97 WeakPolarHBondContact CG2-SG 3.46Å; C95-C97 PolarHBondContact O-N 2.74Å; C95-C97 PolarHBondContact O-SG 3.14Å; C97-Q99 VanDerWaalsContact C-N 3.27Å; C97-Q99 PolarHBondContact O-N 3.31Å; C97-L100 PolarHBondContact O-N 3.29Å; C97-I105 HydrophobicContact CB-CD1 4.2Å
98A91.6Very high93.5Very high33 Ų3360.7 Ų60.727%0.27333%0.325SS..THydrogen-bonded Turntrans-59.5-35.6-174.100000113.5T45 D96T45-A98 WeakPolarHBondContact CG2-O 3.24Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3Å
99Q93.2Very high93.6Very high190 Ų19057.4 Ų57.489%0.88830%0.297SS*.SBendtrans-120.50.4-178.4-65.9179.4-20.800113.3C97C97-Q99 VanDerWaalsContact C-N 3.27Å; C97-Q99 PolarHBondContact O-N 3.31Å
100L94.8Very high93.8Very high48 Ų4854.1 Ų54.125%0.25128%0.28SS..  trans-89.6132.2-178.1-62.5177.9000110.5S48 C95 D96 C97 D104 I105 I108S48-L100 WeakPolarHBondContact CB-O 3.43Å; S48-L100 PolarHBondContact OG-O 3.11Å; C95-L100 HydrophobicContact CB-CD1 4.34Å; D96-L100 VanDerWaalsContact O-CD1 3.27Å; D96-L100 WeakPolarHBondContact O-CD1 3.43Å; D96-L100 WeakPolarHBondContact O-CG 3.4Å; C97-L100 PolarHBondContact O-N 3.29Å; L100-D104 HydrophobicContact CB-CB 4.44Å; L100-D104 HydrophobicContact CD2-CB 4.22Å; L100-I105 HydrophobicContact CB-CD1 4.39Å; L100-I105 HydrophobicContact CB-CG1 3.91Å; L100-I105 HydrophobicContact CD1-CG1 4.29Å; L100-I108 HydrophobicContact CD1-CD1 4.17Å; L100-I108 HydrophobicContact CD2-CD1 4.45Å
101S94.7Very high94Very high54 Ų5458.5 Ų58.538%0.37829%0.285SS..  trans-74.2162.5168.279.20000110.2L103 D104 I105S101-L103 PolarHBondContact O-N 3.16Å; S101-L103 PolarHBondContact OG-N 3.17Å; S101-D104 VanDerWaalsContact CB-OD2 3.25Å; S101-D104 WeakPolarHBondContact CB-OD2 3.42Å; S101-D104 PolarHBondContact N-OD2 3.45Å; S101-D104 PolarHBondContact O-N 3.3Å; S101-D104 VanDerWaalsContact O-N 3.13Å; S101-D104 PolarHBondContact OG-N 3.06Å; S101-D104 PolarHBondContact OG-OD2 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.39Å; S101-I105 PolarHBondContact O-N 2.93Å; S101-I105 VanDerWaalsContact O-N 3.16Å
102L95.8Very high93.9Very high15 Ų1558.7 Ų58.78%0.07929%0.288CS..Hα-helixtrans-52.4-45.7172.9177.165.1000111.2I20 Q51 F52 D104 I105 L106I20-L102 HydrophobicContact CG2-CD2 3.77Å; Q51-L102 HydrophobicContact CB-CD1 3.94Å; Q51-L102 HydrophobicContact CB-CD2 3.97Å; Q51-L102 HydrophobicContact CB-CG 4.39Å; F52-L102 HydrophobicContact CB-CD1 4Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.24Å; L102-I105 PolarHBondContact O-N 3.45Å; L102-L106 HydrophobicContact CD1-CD1 4.47Å; L102-L106 HydrophobicContact CD1-CD2 4.43Å; L102-L106 HydrophobicContact CD1-CG 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.25Å; L102-L106 HydrophobicContact CG-CG 4.4Å; L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 3.37Å
103L96.1Very high93.5Very high28 Ų2851.9 Ų51.915%0.14726%0.262CS..Hα-helixtrans-61-37.5-178.5-179.7141.9000112A19 I20 S101 L106 N107A19-L103 HydrophobicContact CB-CD1 3.55Å; I20-L103 HydrophobicContact CG1-CB 4.03Å; I20-L103 HydrophobicContact CG1-CD1 4.16Å; S101-L103 PolarHBondContact O-N 3.16Å; S101-L103 PolarHBondContact OG-N 3.17Å; L103-L106 PolarHBondContact O-N 3.5Å; L103-N107 WeakPolarHBondContact CD2-ND2 3.13Å; L103-N107 WeakPolarHBondContact O-CB 3.41Å; L103-N107 VanDerWaalsContact O-CG 3.24Å; L103-N107 PolarHBondContact O-N 3.27Å; L103-N107 PolarHBondContact O-ND2 3.15Å
104D96.1Very high93Very high62 Ų6254.8 Ų54.833%0.33228%0.284SS..Hα-helixtrans-66.8-46.1178.2-55.8-43.7000110.8L100 S101 L102 L106 N107 I108L100-D104 HydrophobicContact CB-CB 4.44Å; L100-D104 HydrophobicContact CD2-CB 4.22Å; S101-D104 VanDerWaalsContact CB-OD2 3.25Å; S101-D104 WeakPolarHBondContact CB-OD2 3.42Å; S101-D104 PolarHBondContact N-OD2 3.45Å; S101-D104 PolarHBondContact O-N 3.3Å; S101-D104 VanDerWaalsContact O-N 3.13Å; S101-D104 PolarHBondContact OG-N 3.06Å; S101-D104 PolarHBondContact OG-OD2 3.28Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.24Å; D104-L106 VanDerWaalsContact C-N 3.29Å; D104-L106 PolarHBondContact O-N 2.89Å; D104-N107 PolarHBondContact O-N 3.45Å; D104-I108 VanDerWaalsContact O-CB 3.3Å; D104-I108 WeakPolarHBondContact O-CB 2.92Å; D104-I108 WeakPolarHBondContact O-CD1 3.23Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.09Å
105I96Very high91.9Very high5 Ų552.8 Ų52.83%0.02628%0.281CS..Hα-helixtrans-58.1-44176.6-59.4166.1000110.3F52 C97 L100 S101 L102 I108 L109F52-I105 HydrophobicContact CD2-CG2 3.58Å; F52-I105 HydrophobicContact CE2-CG2 3.84Å; F52-I105 HydrophobicContact CG-CG2 4.02Å; F52-I105 HydrophobicContact CZ-CG2 4.49Å; C97-I105 HydrophobicContact CB-CD1 4.2Å; L100-I105 HydrophobicContact CB-CD1 4.39Å; L100-I105 HydrophobicContact CB-CG1 3.91Å; L100-I105 HydrophobicContact CD1-CG1 4.29Å; S101-I105 WeakPolarHBondContact O-CG1 3.39Å; S101-I105 PolarHBondContact O-N 2.93Å; S101-I105 VanDerWaalsContact O-N 3.16Å; L102-I105 PolarHBondContact O-N 3.45Å; I105-I108 PolarHBondContact O-N 3.13Å; I105-L109 WeakPolarHBondContact O-CB 3.41Å; I105-L109 PolarHBondContact O-N 3.25Å
106L95.9Very high90.3Very high0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-65.5-45.6178.8-62.7-173000112.3A23 I24 L27 F52 V55 L102 L103 D104 I108 L109 L110A23-L106 HydrophobicContact CB-CB 4Å; A23-L106 HydrophobicContact CB-CD1 3.9Å; I24-L106 HydrophobicContact CG1-CD1 3.63Å; L27-L106 HydrophobicContact CD1-CB 4.48Å; L27-L106 HydrophobicContact CD1-CD1 3.96Å; L27-L106 HydrophobicContact CD1-CD2 3.31Å; L27-L106 HydrophobicContact CD1-CG 4.05Å; L27-L106 HydrophobicContact CD2-CB 4.44Å; L27-L106 HydrophobicContact CD2-CD2 4.12Å; L27-L106 HydrophobicContact CG-CD2 4.26Å; F52-L106 HydrophobicContact CD2-CD2 3.78Å; F52-L106 HydrophobicContact CE2-CD2 4.05Å; V55-L106 HydrophobicContact CG1-CD2 4.5Å; L102-L106 HydrophobicContact CD1-CD1 4.47Å; L102-L106 HydrophobicContact CD1-CD2 4.43Å; L102-L106 HydrophobicContact CD1-CG 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.25Å; L102-L106 HydrophobicContact CG-CG 4.4Å; L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 3.37Å; L103-L106 PolarHBondContact O-N 3.5Å; D104-L106 VanDerWaalsContact C-N 3.29Å; D104-L106 PolarHBondContact O-N 2.89Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 3.02Å; L106-L110 WeakPolarHBondContact O-CB 3.25Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.11Å; L106-L110 PolarHBondContact O-N 2.6Å
107N95.4Very high88.5Confident72 Ų7256.6 Ų56.639%0.38531%0.307SS..Hα-helixtrans-65.6-38.2178.8-74.5-22.9000112.1L103 D104 L110 K111L103-N107 WeakPolarHBondContact CD2-ND2 3.13Å; L103-N107 WeakPolarHBondContact O-CB 3.41Å; L103-N107 VanDerWaalsContact O-CG 3.24Å; L103-N107 PolarHBondContact O-N 3.27Å; L103-N107 PolarHBondContact O-ND2 3.15Å; D104-N107 PolarHBondContact O-N 3.45Å; N107-L110 PolarHBondContact O-N 3.28Å; N107-K111 VanDerWaalsContact O-CB 3.3Å; N107-K111 WeakPolarHBondContact O-CB 3.25Å; N107-K111 PolarHBondContact O-N 3.3Å
108I94Very high86.5Confident48 Ų4865.2 Ų65.225%0.24634%0.344CS..Hα-helixtrans-58.1-54.6172.7-74.7166.4000108.7L93 L100 D104 I105 L106 L110 K111 F112L93-I108 HydrophobicContact CD1-CG2 3.76Å; L100-I108 HydrophobicContact CD1-CD1 4.17Å; L100-I108 HydrophobicContact CD2-CD1 4.45Å; D104-I108 VanDerWaalsContact O-CB 3.3Å; D104-I108 WeakPolarHBondContact O-CB 2.92Å; D104-I108 WeakPolarHBondContact O-CD1 3.23Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.09Å; I105-I108 PolarHBondContact O-N 3.13Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.49Å; I108-L110 PolarHBondContact O-N 2.84Å; I108-K111 WeakPolarHBondContact O-CB 3.42Å; I108-K111 PolarHBondContact O-N 3.14Å; I108-K111 VanDerWaalsContact O-N 3.11Å; I108-F112 HydrophobicContact CG2-CD2 3.82Å; I108-F112 HydrophobicContact CG2-CE2 3.86Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 3.34Å
109L92.7Very high84.1Confident4 Ų467.2 Ų67.22%0.02135%0.353CS..Hα-helixtrans-56.9-46.5179.6-169.6163.7000112.1L27 I32 F52 I105 L106 K111 F112 S113L27-L109 HydrophobicContact CD2-CD1 4.5Å; L27-L109 HydrophobicContact CD2-CD2 3.83Å; I32-L109 HydrophobicContact CD1-CD1 4.05Å; I32-L109 HydrophobicContact CD1-CD2 3.8Å; I32-L109 HydrophobicContact CD1-CG 4.07Å; F52-L109 HydrophobicContact CE2-CD1 3.79Å; F52-L109 HydrophobicContact CZ-CD1 3.84Å; I105-L109 WeakPolarHBondContact O-CB 3.41Å; I105-L109 PolarHBondContact O-N 3.25Å; L106-L109 PolarHBondContact O-N 3.02Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 3.08Å; L109-F112 PolarHBondContact O-N 3.49Å; L109-S113 PolarHBondContact O-N 3.45Å
110L92.3Very high81.4Confident26 Ų2665.4 Ų65.414%0.13635%0.35CS..Hα-helixtrans-61.1-39.1177.1-71.7170.5000112.8A23 Q26 L27 L106 N107 I108 S113 S114A23-L110 HydrophobicContact CB-CD1 4.4Å; Q26-L110 HydrophobicContact CB-CD1 4.09Å; Q26-L110 HydrophobicContact CB-CD2 3.95Å; Q26-L110 WeakPolarHBondContact O-CD2 3.15Å; L27-L110 HydrophobicContact CD2-CD1 4.44Å; L27-L110 HydrophobicContact CD2-CD2 3.87Å; L27-L110 HydrophobicContact CD2-CG 3.82Å; L27-L110 HydrophobicContact CG-CD2 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.25Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.11Å; L106-L110 PolarHBondContact O-N 2.6Å; N107-L110 PolarHBondContact O-N 3.28Å; I108-L110 PolarHBondContact O-N 2.84Å; L110-S113 WeakPolarHBondContact CA-OG 3.47Å; L110-S113 PolarHBondContact O-N 3.07Å; L110-S113 PolarHBondContact O-OG 3.3Å; L110-S114 PolarHBondContact O-N 3.23Å
111K90.9Very high78.8Confident144 Ų14469.3 Ų69.363%0.62638%0.378SS*.Hα-helixtrans-63.8-46.3176.6-174179.6179.8-175.50110.2N107 I108 L109 S114 L115N107-K111 VanDerWaalsContact O-CB 3.3Å; N107-K111 WeakPolarHBondContact O-CB 3.25Å; N107-K111 PolarHBondContact O-N 3.3Å; I108-K111 WeakPolarHBondContact O-CB 3.42Å; I108-K111 PolarHBondContact O-N 3.14Å; I108-K111 VanDerWaalsContact O-N 3.11Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 3.08Å; K111-S114 PolarHBondContact O-N 3.02Å; K111-S114 PolarHBondContact O-OG 3.29Å; K111-L115 PolarHBondContact O-N 3.1Å
112F89.1Confident76.1Confident95 Ų9575 Ų7542%0.41740%0.399SS..Hα-helixtrans-69.1-33.4179.2-79.9-82000113.2F87 L93 I108 L109 S114 L115F87-F112 HydrophobicContact CE2-CB 4.4Å; F87-F112 HydrophobicContact CZ-CB 3.87Å; L93-F112 HydrophobicContact CD1-CB 3.95Å; L93-F112 HydrophobicContact CD1-CD1 4.23Å; L93-F112 HydrophobicContact CD1-CD2 3.11Å; L93-F112 HydrophobicContact CD1-CE2 3.56Å; L93-F112 HydrophobicContact CD1-CG 3.51Å; L93-F112 HydrophobicContact CD1-CZ 4.27Å; I108-F112 HydrophobicContact CG2-CD2 3.82Å; I108-F112 HydrophobicContact CG2-CE2 3.86Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 3.34Å; L109-F112 PolarHBondContact O-N 3.49Å; F112-S114 VanDerWaalsContact C-N 3.33Å; F112-S114 PolarHBondContact O-N 3.01Å; F112-L115 HydrophobicContact CD1-CD1 4.12Å; F112-L115 PolarHBondContact O-N 3.47Å
113S86.2Confident73.2Confident32 Ų3283.4 Ų83.422%0.22444%0.437CS..Hα-helixtrans-65.6-36.6174.668.20000112.2L109 L110 L115 G116L109-S113 PolarHBondContact O-N 3.45Å; L110-S113 WeakPolarHBondContact CA-OG 3.47Å; L110-S113 PolarHBondContact O-N 3.07Å; L110-S113 PolarHBondContact O-OG 3.3Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.2Å; S113-G116 PolarHBondContact O-N 3.44Å
114S82.8Confident70.1Confident73 Ų7389.2 Ų89.251%0.5147%0.474SS..Hα-helixtrans-71.5-18.5177.870.30000114.5L110 K111 F112 G116L110-S114 PolarHBondContact O-N 3.23Å; K111-S114 PolarHBondContact O-N 3.02Å; K111-S114 PolarHBondContact O-OG 3.29Å; F112-S114 VanDerWaalsContact C-N 3.33Å; F112-S114 PolarHBondContact O-N 3.01Å; S114-G116 VanDerWaalsContact C-N 3.3Å
115L72.5Confident66.8Low83 Ų8399.7 Ų99.744%0.43552%0.516SS..G310 helixtrans-75.8-18.3175.7-70170.6000112.8K111 F112 S113 D117 K118 T119K111-L115 PolarHBondContact O-N 3.1Å; F112-L115 HydrophobicContact CD1-CD1 4.12Å; F112-L115 PolarHBondContact O-N 3.47Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.2Å; L115-D117 PolarHBondContact O-N 3.05Å; L115-K118 PolarHBondContact O-N 3.15Å; L115-T119 PolarHBondContact O-OG1 3.08Å
116G60.2Low65.4Low26 Ų26104.4 Ų104.427%0.26854%0.541SS..G310 helixtrans-61.1-29-17900000113.8S113 S114 K118S113-G116 PolarHBondContact O-N 3.44Å; S114-G116 VanDerWaalsContact C-N 3.3Å; G116-K118 PolarHBondContact O-N 3.28Å
117D56.7Low63.8Low151 Ų151109.9 Ų109.981%0.80757%0.569SS**G310 helixtrans-73.2-8.8-179.3-64.7-25.3000113.6L115L115-D117 PolarHBondContact O-N 3.05Å
118K49.1Very low62Low180 Ų180112 Ų11278%0.78358%0.58SS**SBendtrans-13963.3-169.6-62.5-172.5-177.7-1790112.9L115 G116L115-K118 PolarHBondContact O-N 3.15Å; G116-K118 PolarHBondContact O-N 3.28Å
119T40.9Very low60.1Low76 Ų76115.8 Ų115.847%0.46660%0.599SS.*  trans-170.8102168.929.10000111.3R91 L115R91-T119 PolarHBondContact NH1-OG1 3.3Å; R91-T119 VanDerWaalsContact NH2-CG2 3.25Å; R91-T119 PolarHBondContact NH2-OG1 3.17Å; L115-T119 PolarHBondContact O-OG1 3.08Å
120D36.4Very low58.1Low151 Ų151122.8 Ų122.881%0.80764%0.635SS**  trans-59.8136.8159.7-57.1-60.4000109.5E122D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.49Å
121P40.4Very low55.8Low130 Ų130129.2 Ų129.284%0.84467%0.669SS**SBendtrans-80.474.3-171.233.9-35.9000111.1
122E38.8Very low53.3Low174 Ų174128.1 Ų128.181%0.81367%0.672SS**  trans-133.957.2171.6-70.7-165.5162.700111.8D120D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.49Å
123Q34.6Very low50.6Low191 Ų191130.7 Ų130.789%0.89369%0.691SS**  trans-150.872.7151.9-70.1-149-1.500110.4
124V30.4Very low47.6Very low151 Ų151138.9 Ų138.992%0.91573%0.73SS**  trans-129.588.2154.1-177.30000106.6
125K28.3Very low44.4Very low281 Ų281144.9 Ų144.9100%1.22275%0.75SS**  trans-138.90155.1-79.9-172178.8177.20106.1

Retrieved 125 of 125 residues in 30.7 ms (Link to these results)

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