A0A077ZK93_TRITR Loading...

TraE domain containing protein

AlphaFold DB (P08322), UniProt , Accession A0A077ZK93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M60.8Low74.4Confident233 Ų233118.4 Ų118.4100%1.14862%0.617SS**  0-35.20-72176.5162.900113H3 G4M1-H3 PolarHBondContact O-N 3.26Å; M1-G4 PolarHBondContact O-N 2.94Å
2E67.2Low75.6Confident144 Ų144116.1 Ų116.167%0.67361%0.611SS**Hα-helixtrans-60.2-36.2-179.5-72-168.3113.700115.9G4 A5 R6E2-G4 PolarHBondContact O-N 3.4Å; E2-A5 PolarHBondContact O-N 3.22Å; E2-R6 PolarHBondContact O-N 3.09Å; E2-R6 VanDerWaalsContact O-N 3.12Å
3H65.4Low76.5Confident155 Ų155115.2 Ų115.272%0.71860%0.604SS**Hα-helixtrans-64-38.5-177.5-114.756.1000113M1 L7M1-H3 PolarHBondContact O-N 3.26Å; H3-L7 PolarHBondContact O-N 3.48Å
4G69.5Low77.5Confident49 Ų49110.5 Ų110.551%0.50559%0.59SS.*Hα-helixtrans-68.4-36.3176.100000112.7M1 E2 L7 S8M1-G4 PolarHBondContact O-N 2.94Å; E2-G4 PolarHBondContact O-N 3.4Å; G4-L7 PolarHBondContact O-N 3.06Å; G4-S8 PolarHBondContact O-N 3.39Å; G4-S8 VanDerWaalsContact O-N 3.11Å
5A71.8Confident78.4Confident57 Ų57111 Ų11147%0.47159%0.591SS.*Hα-helixtrans-64.1-45.6176.300000111.7E2 L7 S8 T9E2-A5 PolarHBondContact O-N 3.22Å; A5-L7 PolarHBondContact O-N 3.48Å; A5-S8 WeakPolarHBondContact O-CB 3.33Å; A5-S8 PolarHBondContact O-N 3.48Å; A5-T9 PolarHBondContact O-N 3.4Å; A5-T9 PolarHBondContact O-OG1 3.17Å
6R74.8Confident79.2Confident168 Ų168107.2 Ų107.263%0.63458%0.58SS**Hα-helixtrans-62-38.5178.1-68.9-174.9-179-171.22113.3E2 S10E2-R6 PolarHBondContact O-N 3.09Å; E2-R6 VanDerWaalsContact O-N 3.12Å; R6-S10 WeakPolarHBondContact O-CB 3.43Å; R6-S10 PolarHBondContact O-N 2.93Å; R6-S10 PolarHBondContact O-OG 3.34Å
7L74.1Confident79.9Confident101 Ų101108.8 Ų108.853%0.52958%0.581SS.*Hα-helixtrans-67.7-37.9175.9-75.1165.1000112.2H3 G4 A5 S10 R11H3-L7 PolarHBondContact O-N 3.48Å; G4-L7 PolarHBondContact O-N 3.06Å; A5-L7 PolarHBondContact O-N 3.48Å; L7-S10 WeakPolarHBondContact CA-OG 3.32Å; L7-S10 PolarHBondContact O-OG 3.42Å; L7-R11 WeakPolarHBondContact O-CG 3.37Å; L7-R11 PolarHBondContact O-N 3.46Å
8S78.9Confident80.7Confident71 Ų71108.9 Ų108.950%0.49758%0.58SS.*Hα-helixtrans-64.9-49.6173.9-176.70000111.3G4 A5 S10 R11 V12G4-S8 PolarHBondContact O-N 3.39Å; G4-S8 VanDerWaalsContact O-N 3.11Å; A5-S8 WeakPolarHBondContact O-CB 3.33Å; A5-S8 PolarHBondContact O-N 3.48Å; S8-S10 PolarHBondContact O-N 3.28Å; S8-R11 PolarHBondContact O-N 2.86Å; S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.37Å
9T83.8Confident81.3Confident79 Ų79110.3 Ų110.349%0.48558%0.581SS.*Hα-helixtrans-59.2-44.4179.4-52.40000112A5 V12 M13A5-T9 PolarHBondContact O-N 3.4Å; A5-T9 PolarHBondContact O-OG1 3.17Å; T9-V12 PolarHBondContact O-N 3Å; T9-M13 HydrophobicContact CG2-CG 4.39Å; T9-M13 WeakPolarHBondContact O-CB 3.46Å; T9-M13 VanDerWaalsContact O-CG 3.22Å; T9-M13 WeakPolarHBondContact O-CG 3.23Å; T9-M13 PolarHBondContact O-N 3.4Å
10S85Confident81.9Confident63 Ų63110.2 Ų110.244%0.44158%0.578SS.*Hα-helixtrans-64.9-39.9179.451.20000113.4R6 L7 S8 M13 A14R6-S10 WeakPolarHBondContact O-CB 3.43Å; R6-S10 PolarHBondContact O-N 2.93Å; R6-S10 PolarHBondContact O-OG 3.34Å; L7-S10 WeakPolarHBondContact CA-OG 3.32Å; L7-S10 PolarHBondContact O-OG 3.42Å; S8-S10 PolarHBondContact O-N 3.28Å; S10-M13 PolarHBondContact O-N 2.81Å; S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3.34Å
11R86.6Confident82.5Confident182 Ų182107.8 Ų107.869%0.68757%0.571SS**Hα-helixtrans-64-44.1174.5-73.7179.1-179.4-1750.6112.1L7 S8 M13 A14 I15L7-R11 WeakPolarHBondContact O-CG 3.37Å; L7-R11 PolarHBondContact O-N 3.46Å; S8-R11 PolarHBondContact O-N 2.86Å; R11-M13 VanDerWaalsContact C-N 3.35Å; R11-A14 PolarHBondContact O-N 2.89Å; R11-I15 WeakPolarHBondContact O-CG1 3.31Å; R11-I15 PolarHBondContact O-N 2.89Å
12V89Confident84.1Confident91 Ų91100.8 Ų100.855%0.55254%0.541SS*.Hα-helixtrans-62-44.3176.5173.20000110.7S8 T9 A14 I15 A16S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.37Å; T9-V12 PolarHBondContact O-N 3Å; V12-A14 PolarHBondContact O-N 3.1Å; V12-I15 PolarHBondContact O-N 3.4Å; V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.98Å
13M87.9Confident85.4Confident104 Ų10498 Ų9851%0.51253%0.53SS..Hα-helixtrans-60.5-43.9175-71.3-64.2-164.200111.8T9 S10 R11 I15 A16 F17T9-M13 HydrophobicContact CG2-CG 4.39Å; T9-M13 WeakPolarHBondContact O-CB 3.46Å; T9-M13 VanDerWaalsContact O-CG 3.22Å; T9-M13 WeakPolarHBondContact O-CG 3.23Å; T9-M13 PolarHBondContact O-N 3.4Å; S10-M13 PolarHBondContact O-N 2.81Å; R11-M13 VanDerWaalsContact C-N 3.35Å; M13-I15 PolarHBondContact O-N 2.88Å; M13-A16 WeakPolarHBondContact O-CB 3.4Å; M13-A16 PolarHBondContact O-N 3.48Å; M13-F17 WeakPolarHBondContact O-CD2 3.2Å; M13-F17 PolarHBondContact O-N 3.35Å
14A89.7Confident86.8Confident50 Ų5095.5 Ų95.541%0.41352%0.521SS..Hα-helixtrans-62-44.6178.600000112.6S10 R11 V12 A16 F17 I18S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3.34Å; R11-A14 PolarHBondContact O-N 2.89Å; V12-A14 PolarHBondContact O-N 3.1Å; A14-A16 VanDerWaalsContact C-N 3.33Å; A14-A16 PolarHBondContact O-N 3.32Å; A14-F17 PolarHBondContact O-N 3.46Å; A14-I18 WeakPolarHBondContact O-CG1 3.26Å; A14-I18 PolarHBondContact O-N 2.93Å
15I91.1Very high88.1Confident118 Ų11898 Ų9861%0.60553%0.527SS*.Hα-helixtrans-62.3-42.9174.9-66168.2000110.3R11 V12 M13 F17 I18 F19R11-I15 WeakPolarHBondContact O-CG1 3.31Å; R11-I15 PolarHBondContact O-N 2.89Å; V12-I15 PolarHBondContact O-N 3.4Å; M13-I15 PolarHBondContact O-N 2.88Å; I15-F17 PolarHBondContact O-N 3.49Å; I15-I18 PolarHBondContact O-N 3.44Å; I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.84Å
16A90.9Very high89.2Confident50 Ų50100.4 Ų100.441%0.41353%0.531SS..Hα-helixtrans-62.2-40.1176.900000112.4V12 M13 A14 F19 M20V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.98Å; M13-A16 WeakPolarHBondContact O-CB 3.4Å; M13-A16 PolarHBondContact O-N 3.48Å; A14-A16 VanDerWaalsContact C-N 3.33Å; A14-A16 PolarHBondContact O-N 3.32Å; A16-F19 PolarHBondContact O-N 3.07Å; A16-M20 VanDerWaalsContact O-CB 3.25Å; A16-M20 WeakPolarHBondContact O-CB 3.31Å; A16-M20 PolarHBondContact O-N 3.28Å
17F92.3Very high90.2Very high134 Ų13495.5 Ų95.559%0.58852%0.522SS*.Hα-helixtrans-66.8-43.1175.5-85.9-68.6000112.5M13 A14 I15 F19 M20 S21M13-F17 WeakPolarHBondContact O-CD2 3.2Å; M13-F17 PolarHBondContact O-N 3.35Å; A14-F17 PolarHBondContact O-N 3.46Å; I15-F17 PolarHBondContact O-N 3.49Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-M20 PolarHBondContact O-N 3.01Å; F17-S21 WeakPolarHBondContact O-CB 3.48Å; F17-S21 PolarHBondContact O-N 3.27Å; F17-S21 PolarHBondContact O-OG 2.93Å
18I93.1Very high91.2Very high112 Ų11296.4 Ų96.457%0.57453%0.527SS*.Hα-helixtrans-60.9-48.3175.1-67.2167.3000109.4A14 I15 M20 S21 V22A14-I18 WeakPolarHBondContact O-CG1 3.26Å; A14-I18 PolarHBondContact O-N 2.93Å; I15-I18 PolarHBondContact O-N 3.44Å; I18-M20 PolarHBondContact O-N 3.12Å; I18-S21 PolarHBondContact O-N 2.81Å; I18-S21 PolarHBondContact O-OG 2.87Å; I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 2.78Å
19F93.6Very high92Very high134 Ų13495.4 Ų95.459%0.58852%0.52SS*.Hα-helixtrans-60.4-45.8177.7-174.6-106.4000112.3I15 A16 F17 S21 V22 L23I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.84Å; A16-F19 PolarHBondContact O-N 3.07Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 2.61Å; F19-V22 PolarHBondContact O-N 2.67Å; F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.99Å; F19-L23 HydrophobicContact CZ-CD2 4.36Å; F19-L23 HydrophobicContact CZ-CG 4.26Å; F19-L23 WeakPolarHBondContact O-CG 3.46Å; F19-L23 PolarHBondContact O-N 2.86Å
20M93.3Very high92.5Very high108 Ų10895.2 Ų95.253%0.53252%0.519SS..Hα-helixtrans-60.9-42.7175.8-172.3-161-97.500111.5A16 F17 I18 V22 L23 I24A16-M20 VanDerWaalsContact O-CB 3.25Å; A16-M20 WeakPolarHBondContact O-CB 3.31Å; A16-M20 PolarHBondContact O-N 3.28Å; F17-M20 PolarHBondContact O-N 3.01Å; I18-M20 PolarHBondContact O-N 3.12Å; M20-V22 PolarHBondContact O-N 2.59Å; M20-L23 PolarHBondContact O-N 3.32Å; M20-I24 HydrophobicContact CG-CD1 4.05Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 2.86Å; M20-I24 HydrophobicContact SD-CD1 4.34Å
21S93.4Very high93Very high61 Ų6197 Ų9743%0.42752%0.523SS..Hα-helixtrans-63-41.5178.771.40000112F17 I18 F19 I24 V25F17-S21 WeakPolarHBondContact O-CB 3.48Å; F17-S21 PolarHBondContact O-N 3.27Å; F17-S21 PolarHBondContact O-OG 2.93Å; I18-S21 PolarHBondContact O-N 2.81Å; I18-S21 PolarHBondContact O-OG 2.87Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 2.61Å; S21-I24 PolarHBondContact O-N 2.7Å; S21-V25 WeakPolarHBondContact O-CG2 3.24Å; S21-V25 PolarHBondContact O-N 2.96Å
22V95.4Very high93.4Very high85 Ų8592.8 Ų92.852%0.51552%0.517SS..Hα-helixtrans-63.4-43.3174.6172.80000110.9I18 F19 M20 I24 V25 L26I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 2.78Å; F19-V22 PolarHBondContact O-N 2.67Å; M20-V22 PolarHBondContact O-N 2.59Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.78Å; V22-V25 PolarHBondContact O-N 2.64Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.04Å
23L94.1Very high93.6Very high86 Ų8693 Ų9345%0.4552%0.515SS..Hα-helixtrans-61.6-39.8175.8-73.6179.3000112.6F19 M20 S27F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.99Å; F19-L23 HydrophobicContact CZ-CD2 4.36Å; F19-L23 HydrophobicContact CZ-CG 4.26Å; F19-L23 WeakPolarHBondContact O-CG 3.46Å; F19-L23 PolarHBondContact O-N 2.86Å; M20-L23 PolarHBondContact O-N 3.32Å; L23-S27 VanDerWaalsContact O-CB 3.24Å; L23-S27 WeakPolarHBondContact O-CB 3.16Å; L23-S27 PolarHBondContact O-N 3.01Å
24I95.2Very high93.7Very high103 Ų10393.6 Ų93.653%0.52852%0.516SS..Hα-helixtrans-65.6-45.9177.6-69.7166.2000110.7M20 S21 V22 L26 S27 L28M20-I24 HydrophobicContact CG-CD1 4.05Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 2.86Å; M20-I24 HydrophobicContact SD-CD1 4.34Å; S21-I24 PolarHBondContact O-N 2.7Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.78Å; I24-L26 PolarHBondContact O-N 3.48Å; I24-S27 PolarHBondContact O-N 3.47Å; I24-L28 WeakPolarHBondContact O-CB 3.22Å; I24-L28 PolarHBondContact O-N 2.63Å
25V95.5Very high93.9Very high102 Ų10293.2 Ų93.262%0.61852%0.517SS*.Hα-helixtrans-62.6-44.3178.6173.10000110.9S21 V22 L28 S29S21-V25 WeakPolarHBondContact O-CG2 3.24Å; S21-V25 PolarHBondContact O-N 2.96Å; V22-V25 PolarHBondContact O-N 2.64Å; V25-L28 PolarHBondContact O-N 3.07Å; V25-S29 PolarHBondContact O-N 3.45Å
26L95.5Very high93.9Very high107 Ų10791.4 Ų91.456%0.5651%0.511SS*.Hα-helixtrans-61.5-46.4176.2-169.371.2000110.8V22 I24 L28 S29 V30V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.04Å; I24-L26 PolarHBondContact O-N 3.48Å; L26-L28 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-OG 2.89Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 2.86Å
27S95.1Very high93.8Very high65 Ų6592.1 Ų92.146%0.45551%0.508SS..Hα-helixtrans-59.1-45.1176.4-178.10000112.3L23 I24 S29 V30 N31L23-S27 VanDerWaalsContact O-CB 3.24Å; L23-S27 WeakPolarHBondContact O-CB 3.16Å; L23-S27 PolarHBondContact O-N 3.01Å; I24-S27 PolarHBondContact O-N 3.47Å; S27-S29 PolarHBondContact O-N 3.06Å; S27-V30 PolarHBondContact O-N 3.38Å; S27-N31 PolarHBondContact O-N 2.82Å; S27-N31 PolarHBondContact O-ND2 3.46Å
28L95.6Very high93.5Very high119 Ų11989.9 Ų89.962%0.62350%0.502SS*.Hα-helixtrans-63.5-42.1178.9-164.972.7000111.4I24 V25 L26 V30 N31 V32I24-L28 WeakPolarHBondContact O-CB 3.22Å; I24-L28 PolarHBondContact O-N 2.63Å; V25-L28 PolarHBondContact O-N 3.07Å; L26-L28 PolarHBondContact O-N 3.01Å; L28-V30 PolarHBondContact O-N 3.43Å; L28-N31 PolarHBondContact O-N 2.99Å; L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.23Å
29S95.4Very high92.9Very high51 Ų5192.7 Ų92.736%0.35751%0.507SS..Hα-helixtrans-61.6-42.7177.473.20000112.2V25 L26 S27 V32 I33V25-S29 PolarHBondContact O-N 3.45Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-OG 2.89Å; S27-S29 PolarHBondContact O-N 3.06Å; S29-V32 PolarHBondContact O-N 3.3Å; S29-I33 VanDerWaalsContact O-CG1 3.3Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.47Å
30V95.5Very high92.2Very high75 Ų7592.6 Ų92.646%0.45550%0.503SS..Hα-helixtrans-63.8-42.5175.5173.80000110.6L26 S27 L28 V32 I33 Q34L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 2.86Å; S27-V30 PolarHBondContact O-N 3.38Å; L28-V30 PolarHBondContact O-N 3.43Å; V30-V32 PolarHBondContact O-N 3.49Å; V30-I33 PolarHBondContact O-N 2.88Å; V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 VanDerWaalsContact O-CB 3.31Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.37Å
31N94.4Very high91.4Very high101 Ų10192.9 Ų92.954%0.5451%0.506SS..Hα-helixtrans-62.8-39.4177.1-81.3-79.8000112.7S27 L28 Q34 G35S27-N31 PolarHBondContact O-N 2.82Å; S27-N31 PolarHBondContact O-ND2 3.46Å; L28-N31 PolarHBondContact O-N 2.99Å; N31-Q34 PolarHBondContact O-N 3.38Å; N31-G35 PolarHBondContact O-N 2.9Å
32V95.2Very high90.4Very high92 Ų9295.3 Ų95.356%0.55851%0.51SS*.Hα-helixtrans-65.2-46.2175.4173.60000111L28 S29 V30 Q34 G35 V36L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.23Å; S29-V32 PolarHBondContact O-N 3.3Å; V30-V32 PolarHBondContact O-N 3.49Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.35Å; V32-G35 PolarHBondContact O-N 3.27Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.24Å
33I94.1Very high89Confident97 Ų9794.5 Ų94.550%0.49750%0.503SS..Hα-helixtrans-60.9-44.6177.2-66.8165.1000110.5S29 V30 G35 V36 N37S29-I33 VanDerWaalsContact O-CG1 3.3Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.47Å; V30-I33 PolarHBondContact O-N 2.88Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.14Å; I33-V36 PolarHBondContact O-N 3.2Å; I33-N37 WeakPolarHBondContact O-CB 3.34Å; I33-N37 PolarHBondContact O-N 3.22Å
34Q90.1Very high87.6Confident116 Ų11695.2 Ų95.254%0.54250%0.504SS..Hα-helixtrans-63.3-40175.9-70.6-75.871.100111.4V30 N31 V32 N37 N38V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 VanDerWaalsContact O-CB 3.31Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.37Å; N31-Q34 PolarHBondContact O-N 3.38Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.35Å; Q34-N37 PolarHBondContact O-N 2.82Å; Q34-N38 WeakPolarHBondContact O-CB 3.22Å; Q34-N38 PolarHBondContact O-N 2.84Å
35G92.8Very high86Confident42 Ų4296.6 Ų96.643%0.43351%0.508SS..Hα-helixtrans-61.6-45.9175.700000112.6N31 V32 I33 N38 Y39N31-G35 PolarHBondContact O-N 2.9Å; V32-G35 PolarHBondContact O-N 3.27Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.14Å; G35-N38 PolarHBondContact O-N 2.83Å; G35-Y39 WeakPolarHBondContact O-CB 3.47Å; G35-Y39 PolarHBondContact O-N 2.86Å
36V91.5Very high84.2Confident80 Ų8099.4 Ų99.449%0.48551%0.508SS..Hα-helixtrans-64.9-45.2176.11750000111.2V32 I33 N38 Y39 R40V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.24Å; I33-V36 PolarHBondContact O-N 3.2Å; V36-N38 PolarHBondContact O-N 2.79Å; V36-Y39 PolarHBondContact O-N 2.83Å; V36-R40 WeakPolarHBondContact O-CG 3.26Å; V36-R40 PolarHBondContact O-N 2.76Å
37N88Confident82.7Confident64 Ų6498.3 Ų98.334%0.34251%0.505SS..Hα-helixtrans-64.5-40.3177.7-76.8-15.8000111.9I33 Q34 R40 L41I33-N37 WeakPolarHBondContact O-CB 3.34Å; I33-N37 PolarHBondContact O-N 3.22Å; Q34-N37 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact O-N 3.39Å; N37-L41 WeakPolarHBondContact O-CB 3.24Å; N37-L41 VanDerWaalsContact O-CG 3.23Å; N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 3.13Å
38N86.5Confident80.9Confident87 Ų8798.5 Ų98.547%0.46551%0.511SS..Hα-helixtrans-68.4-40.2178.9-161.5-78.2000111.3Q34 G35 V36 R40 L41 Q42Q34-N38 WeakPolarHBondContact O-CB 3.22Å; Q34-N38 PolarHBondContact O-N 2.84Å; G35-N38 PolarHBondContact O-N 2.83Å; V36-N38 PolarHBondContact O-N 2.79Å; N38-R40 VanDerWaalsContact C-N 3.34Å; N38-R40 PolarHBondContact O-N 3.19Å; N38-L41 PolarHBondContact O-N 3.1Å; N38-Q42 WeakPolarHBondContact O-CB 3.42Å; N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.59Å; N38-Q42 PolarHBondContact OD1-NE2 3.32Å
39Y81.4Confident79Confident172 Ų17296.3 Ų96.368%0.67550%0.502SS*.Hα-helixtrans-60.1-44.2172.2-176.6-100.1000111.8G35 V36 N43G35-Y39 WeakPolarHBondContact O-CB 3.47Å; G35-Y39 PolarHBondContact O-N 2.86Å; V36-Y39 PolarHBondContact O-N 2.83Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 2.87Å
40R78.3Confident77Confident132 Ų13298.1 Ų98.150%0.49851%0.512SS..Hα-helixtrans-63.7-47.6174.6-73.1-176.263.9-164.7-3.9112.3V36 N37 N38 Q42 N43 E44V36-R40 WeakPolarHBondContact O-CG 3.26Å; V36-R40 PolarHBondContact O-N 2.76Å; N37-R40 PolarHBondContact O-N 3.39Å; N38-R40 VanDerWaalsContact C-N 3.34Å; N38-R40 PolarHBondContact O-N 3.19Å; R40-Q42 PolarHBondContact O-N 2.94Å; R40-N43 PolarHBondContact O-N 3.05Å; R40-E44 IonicContact CZ-OE1 3.8Å; R40-E44 IonicContact NE-OE1 3.38Å; R40-E44 PolarHBondContact NE-OE1 3.01Å; R40-E44 IonicContact NH2-OE1 3.26Å; R40-E44 PolarHBondContact NH2-OE1 3.31Å; R40-E44 VanDerWaalsContact O-CB 3.24Å; R40-E44 WeakPolarHBondContact O-CB 3.28Å; R40-E44 VanDerWaalsContact O-CG 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.45Å; R40-E44 PolarHBondContact O-N 3.33Å
41L76.4Confident75.2Confident114 Ų11497.1 Ų97.160%0.59751%0.507SS*.Hα-helixtrans-62.4-43.6-179.8-75.5170.4000111.9N37 N38 N43 E44 Q45N37-L41 WeakPolarHBondContact O-CB 3.24Å; N37-L41 VanDerWaalsContact O-CG 3.23Å; N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 3.13Å; N38-L41 PolarHBondContact O-N 3.1Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.45Å; L41-E44 PolarHBondContact O-N 3.42Å; L41-Q45 WeakPolarHBondContact O-CA 3.46Å; L41-Q45 VanDerWaalsContact O-CB 3.28Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 2.94Å
42Q71.9Confident73.1Confident112 Ų112102 Ų10252%0.52353%0.528SS..Hα-helixtrans-60.9-37.5175.7-75.2-175.174.300112.1N38 R40 Q62N38-Q42 WeakPolarHBondContact O-CB 3.42Å; N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.59Å; N38-Q42 PolarHBondContact OD1-NE2 3.32Å; R40-Q42 PolarHBondContact O-N 2.94Å; Q42-Q62 PolarHBondContact O-NE2 2.85Å
43N65.9Low71.2Confident68 Ų68101.8 Ų101.836%0.36454%0.536SS..Hα-helixtrans-79-31.6179.4-164.567.5000113Y39 R40 L41 S61 N63Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 2.87Å; R40-N43 PolarHBondContact O-N 3.05Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.45Å; N43-S61 PolarHBondContact O-OG 2.96Å; N43-N63 PolarHBondContact OD1-ND2 2.76Å
44E66.4Low69.2Low100 Ų100100.8 Ų100.847%0.46753%0.529SS..Hα-helixtrans-94.6-10.3-177.4-68178.3-157.600113.8R40 L41 R46R40-E44 IonicContact CZ-OE1 3.8Å; R40-E44 IonicContact NE-OE1 3.38Å; R40-E44 PolarHBondContact NE-OE1 3.01Å; R40-E44 IonicContact NH2-OE1 3.26Å; R40-E44 PolarHBondContact NH2-OE1 3.31Å; R40-E44 VanDerWaalsContact O-CB 3.24Å; R40-E44 WeakPolarHBondContact O-CB 3.28Å; R40-E44 VanDerWaalsContact O-CG 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.45Å; R40-E44 PolarHBondContact O-N 3.33Å; L41-E44 PolarHBondContact O-N 3.42Å; E44-R46 PolarHBondContact O-N 3.38Å
45Q61.5Low67.6Low132 Ų132103.9 Ų103.962%0.61755%0.549SS*.  trans-55.5111.4-176.2-164.4171.29.400110.4L41 S61L41-Q45 WeakPolarHBondContact O-CA 3.46Å; L41-Q45 VanDerWaalsContact O-CB 3.28Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 2.94Å; Q45-S61 VanDerWaalsContact O-CA 3.26Å; Q45-S61 WeakPolarHBondContact O-CA 3.41Å; Q45-S61 WeakPolarHBondContact O-CB 3.44Å
46R57.6Low65.7Low162 Ų162104.1 Ų104.161%0.61155%0.547SS*.EExtended strand (participates in β ladder)trans-90.1113.5176.6-69.1-177.3-178.3-175.81.3108.9E44 A59 V60E44-R46 PolarHBondContact O-N 3.38Å; R46-A59 HydrophobicContact CB-CB 4.47Å; R46-V60 CarbonylContact C-O 3.58Å; R46-V60 WeakPolarHBondContact CA-O 3.24Å
47T62.9Low63.9Low83 Ų83104.3 Ų104.351%0.50955%0.55SS..EExtended strand (participates in β ladder)trans-83.1117.2167.3-54.20000107.7V49 V60T47-V49 HydrophobicContact CG2-CG2 3.86Å; T47-V49 PolarHBondContact O-N 3.49Å; T47-V60 PolarHBondContact N-O 3.05Å; T47-V60 WeakPolarHBondContact O-CG2 3.37Å; T47-V60 PolarHBondContact O-N 2.99Å
48A56.8Low62.4Low69 Ų69102 Ų10257%0.5754%0.536SS*.EExtended strand (participates in β ladder)trans-77.2112.8169.300000108.5P57 F58A48-P57 HydrophobicContact CB-CB 4.49Å; A48-F58 CarbonylContact C-O 3.49Å; A48-F58 VanDerWaalsContact CA-O 3.23Å; A48-F58 WeakPolarHBondContact CA-O 3.42Å
49V57.3Low61.1Low73 Ų7399.3 Ų99.344%0.44253%0.526SS..EExtended strand (participates in β ladder)trans-113124.9170.8-1760000107.6T47 P51 F58T47-V49 HydrophobicContact CG2-CG2 3.86Å; T47-V49 PolarHBondContact O-N 3.49Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; V49-F58 PolarHBondContact N-O 3.48Å; V49-F58 PolarHBondContact O-N 2.98Å; V49-F58 VanDerWaalsContact O-N 3.17Å
50T53.4Low59.8Low90 Ų9091.9 Ų91.955%0.55250%0.499SS*.  trans-100.999.2167.843.70000108P57T50-P57 VanDerWaalsContact CG2-CA 3.42Å; T50-P57 HydrophobicContact CG2-CB 3.72Å
51P56.2Low58.7Low54 Ų5485.8 Ų85.835%0.35148%0.477SS..  trans-61.9144.1169.5-13.726.3000109.2V49 A53 F54 F58V49-P51 WeakPolarHBondContact O-CD 3.34Å; P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 3.44Å; P51-F54 HydrophobicContact CB-CD2 3.82Å; P51-F54 HydrophobicContact CB-CE2 4.04Å; P51-F54 HydrophobicContact CG-CD2 3.95Å; P51-F54 HydrophobicContact CG-CE2 4.18Å; P51-F54 PolarHBondContact O-N 2.86Å; P51-F58 VanDerWaalsContact CD-CE2 3.47Å; P51-F58 HydrophobicContact CG-CD2 3.86Å; P51-F58 HydrophobicContact CG-CE2 3.72Å
52M50.6Low57.7Low202 Ų20284.7 Ų84.7100%0.99547%0.469SS*.THydrogen-bonded Turntrans-6983.9176.8-172174.6-169.100109.6
53A55.6Low57Low88 Ų8882.5 Ų82.573%0.72746%0.46SS*.THydrogen-bonded Turntrans173.6-8.9172.200000111.6P51P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 3.44Å
54F51.6Low57Low77 Ų7781.4 Ų81.434%0.33846%0.458SS..  trans-117.5137.9-171.8-60.9-83.3000112.8P51 A56 F58 Q72P51-F54 HydrophobicContact CB-CD2 3.82Å; P51-F54 HydrophobicContact CB-CE2 4.04Å; P51-F54 HydrophobicContact CG-CD2 3.95Å; P51-F54 HydrophobicContact CG-CE2 4.18Å; P51-F54 PolarHBondContact O-N 2.86Å; F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 3.3Å; F54-F58 HydrophobicContact CB-CE2 4.2Å; F54-F58 HydrophobicContact CB-CZ 4.26Å; F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 AromaticContact CD1-CZ 3.77Å; F54-F58 HydrophobicContact CD1-CZ 3.77Å; F54-F58 AromaticContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CZ 4.04Å; F54-F58 HydrophobicContact CE1-CZ 4.09Å; F54-F58 HydrophobicContact CE2-CE2 4.1Å; F54-F58 HydrophobicContact CE2-CZ 4.33Å; F54-F58 AromaticContact CG-CE2 3.78Å; F54-F58 HydrophobicContact CG-CE2 3.78Å; F54-F58 AromaticContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CZ-CZ 4.35Å; F54-Q72 VanDerWaalsContact CE1-CD 3.49Å; F54-Q72 HydrophobicContact CE1-CG 3.93Å; F54-Q72 HydrophobicContact CZ-CG 4.22Å
55N56.5Low57.2Low181 Ų18177.2 Ų77.297%0.96844%0.441SS*.SBendtrans-83.99.5175.7-70.1-17.6000113.6
56A53.4Low58.2Low47 Ų4772.5 Ų72.539%0.38842%0.419SS..SBendtrans-139.1136.1-179.900000111.6F54F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 3.3Å
57P53.9Low59.6Low84 Ų8466.6 Ų66.655%0.54541%0.406SS..  trans-66.1133.4172.227.1-32.2000111.1A48 T50A48-P57 HydrophobicContact CB-CB 4.49Å; T50-P57 VanDerWaalsContact CG2-CA 3.42Å; T50-P57 HydrophobicContact CG2-CB 3.72Å
58F56.6Low60.6Low14 Ų1465.1 Ų65.16%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-87.8117.2167.2-58-67.4000109.1A48 V49 P51 F54 V60 D66 Q72A48-F58 CarbonylContact C-O 3.49Å; A48-F58 VanDerWaalsContact CA-O 3.23Å; A48-F58 WeakPolarHBondContact CA-O 3.42Å; V49-F58 PolarHBondContact N-O 3.48Å; V49-F58 PolarHBondContact O-N 2.98Å; V49-F58 VanDerWaalsContact O-N 3.17Å; P51-F58 VanDerWaalsContact CD-CE2 3.47Å; P51-F58 HydrophobicContact CG-CD2 3.86Å; P51-F58 HydrophobicContact CG-CE2 3.72Å; F54-F58 HydrophobicContact CB-CE2 4.2Å; F54-F58 HydrophobicContact CB-CZ 4.26Å; F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 AromaticContact CD1-CZ 3.77Å; F54-F58 HydrophobicContact CD1-CZ 3.77Å; F54-F58 AromaticContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CZ 4.04Å; F54-F58 HydrophobicContact CE1-CZ 4.09Å; F54-F58 HydrophobicContact CE2-CE2 4.1Å; F54-F58 HydrophobicContact CE2-CZ 4.33Å; F54-F58 AromaticContact CG-CE2 3.78Å; F54-F58 HydrophobicContact CG-CE2 3.78Å; F54-F58 AromaticContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CZ-CZ 4.35Å; F58-V60 HydrophobicContact CB-CG1 4.35Å; F58-V60 PolarHBondContact O-N 3.25Å; F58-D66 VanDerWaalsContact CA-OD2 3.22Å; F58-D66 WeakPolarHBondContact CA-OD2 3.49Å; F58-Q72 HydrophobicContact CE1-CG 4.09Å; F58-Q72 HydrophobicContact CZ-CG 3.88Å
59A58.4Low62.1Low31 Ų3164 Ų6426%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-84.2101.5169.900000109R46 D66R46-A59 HydrophobicContact CB-CB 4.47Å; A59-D66 PolarHBondContact N-OD2 2.85Å; A59-D66 PolarHBondContact O-N 2.94Å
60V54.5Low63.7Low17 Ų1760.9 Ų60.910%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-111.4121.4177.3-67.60000110.3R46 T47 F58 A65 Y69R46-V60 CarbonylContact C-O 3.58Å; R46-V60 WeakPolarHBondContact CA-O 3.24Å; T47-V60 PolarHBondContact N-O 3.05Å; T47-V60 WeakPolarHBondContact O-CG2 3.37Å; T47-V60 PolarHBondContact O-N 2.99Å; F58-V60 HydrophobicContact CB-CG1 4.35Å; F58-V60 PolarHBondContact O-N 3.25Å; V60-A65 HydrophobicContact CG1-CB 4.38Å; V60-Y69 HydrophobicContact CG1-CD1 4.28Å; V60-Y69 HydrophobicContact CG1-CD2 3.67Å; V60-Y69 HydrophobicContact CG1-CE2 4.19Å; V60-Y69 HydrophobicContact CG1-CG 3.71Å
61S56.5Low65.5Low3 Ų359.8 Ų59.82%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-90.4172.4166.11290000110.4N43 Q45 N63 S64 R170N43-S61 PolarHBondContact O-OG 2.96Å; Q45-S61 VanDerWaalsContact O-CA 3.26Å; Q45-S61 WeakPolarHBondContact O-CA 3.41Å; Q45-S61 WeakPolarHBondContact O-CB 3.44Å; S61-N63 PolarHBondContact O-N 2.94Å; S61-N63 PolarHBondContact OG-N 3.09Å; S61-S64 WeakPolarHBondContact CA-O 3.2Å; S61-S64 WeakPolarHBondContact CB-OG 3.19Å; S61-S64 PolarHBondContact N-O 2.86Å; S61-S64 PolarHBondContact OG-N 2.92Å; S61-S64 PolarHBondContact OG-OG 2.82Å; S61-R170 PolarHBondContact O-NE 2.9Å; S61-R170 PolarHBondContact O-NH2 2.93Å
62Q55.4Low67Low92 Ų9260.1 Ų60.143%0.4335%0.346SS..SBendtrans-51.6-40.4173.7-68.4-168.622.900112.7Q42 R170 G173Q42-Q62 PolarHBondContact O-NE2 2.85Å; Q62-R170 WeakPolarHBondContact O-CG 3.48Å; Q62-R170 PolarHBondContact O-NE 3.37Å; Q62-G173 PolarHBondContact O-N 2.96Å
63N57.3Low69Low66 Ų6652 Ų5235%0.35331%0.306SS..SBendtrans-122-8.6-171.5-67.1-37.2000114.3N43 S61N43-N63 PolarHBondContact OD1-ND2 2.76Å; S61-N63 PolarHBondContact O-N 2.94Å; S61-N63 PolarHBondContact OG-N 3.09Å
64S64.4Low70.9Confident44 Ų4447.8 Ų47.831%0.30827%0.271SS..  trans-122.9143.5175.262.60000110.5S61S61-S64 WeakPolarHBondContact CA-O 3.2Å; S61-S64 WeakPolarHBondContact CB-OG 3.19Å; S61-S64 PolarHBondContact N-O 2.86Å; S61-S64 PolarHBondContact OG-N 2.92Å; S61-S64 PolarHBondContact OG-OG 2.82Å
65A72.1Confident73Confident13 Ų1345.5 Ų45.511%0.10726%0.263CS..BIsolated β-bridgetrans-124.8147.3171.900000109.2V60 Y69 L70V60-A65 HydrophobicContact CG1-CB 4.38Å; A65-Y69 HydrophobicContact CB-CD1 3.32Å; A65-Y69 HydrophobicContact CB-CE1 3.93Å; A65-Y69 HydrophobicContact CB-CG 4.06Å; A65-L70 HydrophobicContact CB-CD2 4.04Å; A65-L70 HydrophobicContact CB-CG 4Å
66D82.1Confident74.8Confident32 Ų3239.7 Ų39.717%0.17124%0.236CC..  trans-70166173.865.12.8000112F58 A59 S68 Y69 L70F58-D66 VanDerWaalsContact CA-OD2 3.22Å; F58-D66 WeakPolarHBondContact CA-OD2 3.49Å; A59-D66 PolarHBondContact N-OD2 2.85Å; A59-D66 PolarHBondContact O-N 2.94Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-Y69 PolarHBondContact O-N 2.96Å; D66-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D66-Y69 PolarHBondContact OD1-N 3.31Å; D66-L70 WeakPolarHBondContact O-CG 3.34Å; D66-L70 PolarHBondContact O-N 3.47Å
67A85.9Confident76.8Confident39 Ų3937.5 Ų37.532%0.32222%0.218SC..Hα-helixtrans-58.9-40.2-178.500000111.8L70 Q71 V135 P137A67-L70 PolarHBondContact O-N 2.92Å; A67-Q71 WeakPolarHBondContact O-CB 3.35Å; A67-Q71 PolarHBondContact O-N 3.3Å; A67-V135 HydrophobicContact CB-CB 4.17Å; A67-V135 HydrophobicContact CB-CG1 4.04Å; A67-P137 HydrophobicContact CB-CG 3.71Å
68S85.3Confident78.9Confident52 Ų5233.7 Ų33.736%0.36419%0.193SC..Hα-helixtrans-64-44-178.7-54.80000111.7D66 Q71 Q72D66-S68 PolarHBondContact O-N 2.93Å; S68-Q71 WeakPolarHBondContact O-CB 3.27Å; S68-Q71 PolarHBondContact O-N 3.42Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.12Å
69Y86.5Confident80.8Confident46 Ų4634.7 Ų34.718%0.1820%0.204CC..Hα-helixtrans-62.8-48175.9174.2-91000111.8V60 A65 D66 Q71 Q72 M73 T175V60-Y69 HydrophobicContact CG1-CD1 4.28Å; V60-Y69 HydrophobicContact CG1-CD2 3.67Å; V60-Y69 HydrophobicContact CG1-CE2 4.19Å; V60-Y69 HydrophobicContact CG1-CG 3.71Å; A65-Y69 HydrophobicContact CB-CD1 3.32Å; A65-Y69 HydrophobicContact CB-CE1 3.93Å; A65-Y69 HydrophobicContact CB-CG 4.06Å; D66-Y69 PolarHBondContact O-N 2.96Å; D66-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D66-Y69 PolarHBondContact OD1-N 3.31Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.41Å; Y69-Q72 PolarHBondContact O-N 3.14Å; Y69-Q72 VanDerWaalsContact O-N 3.17Å; Y69-M73 HydrophobicContact CD1-CG 4.06Å; Y69-M73 HydrophobicContact CE1-CG 3.63Å; Y69-M73 HydrophobicContact CE2-CG 4.08Å; Y69-M73 HydrophobicContact CE2-SD 4.35Å; Y69-M73 WeakPolarHBondContact O-CG 3.41Å; Y69-M73 PolarHBondContact O-N 3.49Å; Y69-T175 HydrophobicContact CE1-CG2 4.14Å; Y69-T175 VanDerWaalsContact CE1-OG1 3.26Å; Y69-T175 WeakPolarHBondContact CE1-OG1 3.11Å; Y69-T175 WeakPolarHBondContact OH-CB 3.36Å; Y69-T175 PolarHBondContact OH-OG1 3.42Å
70L91.3Very high82.6Confident7 Ų735.2 Ų35.24%0.03720%0.202CC..Hα-helixtrans-61.5-40.7179.7-68.6174.3000111.7A65 D66 A67 Q72 M73 A74 V135 P137 V142 L168A65-L70 HydrophobicContact CB-CD2 4.04Å; A65-L70 HydrophobicContact CB-CG 4Å; D66-L70 WeakPolarHBondContact O-CG 3.34Å; D66-L70 PolarHBondContact O-N 3.47Å; A67-L70 PolarHBondContact O-N 2.92Å; L70-Q72 PolarHBondContact O-N 2.7Å; L70-M73 PolarHBondContact O-N 3.32Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.88Å; L70-V135 HydrophobicContact CB-CG1 3.87Å; L70-V135 HydrophobicContact CD1-CG1 4.06Å; L70-P137 HydrophobicContact CD1-CB 4.14Å; L70-V142 HydrophobicContact CB-CG2 4.03Å; L70-L168 HydrophobicContact CB-CD1 4.4Å; L70-L168 HydrophobicContact CD2-CB 3.98Å; L70-L168 HydrophobicContact CD2-CD1 3.87Å
71Q91.2Very high84.6Confident67 Ų6735.7 Ų35.731%0.31320%0.202SC..Hα-helixtrans-56-49.4173.1174.7168.4-33.400111.7A67 S68 Y69 A74 L75 V133 V135A67-Q71 WeakPolarHBondContact O-CB 3.35Å; A67-Q71 PolarHBondContact O-N 3.3Å; S68-Q71 WeakPolarHBondContact O-CB 3.27Å; S68-Q71 PolarHBondContact O-N 3.42Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.41Å; Q71-A74 PolarHBondContact O-N 3.17Å; Q71-L75 HydrophobicContact CG-CD1 3.95Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.24Å; Q71-V133 HydrophobicContact CB-CG1 4.47Å; Q71-V133 HydrophobicContact CG-CB 4.47Å; Q71-V133 HydrophobicContact CG-CG1 3.83Å; Q71-V135 HydrophobicContact CB-CG2 3.8Å
72Q89Confident86.5Confident61 Ų6136.6 Ų36.629%0.28521%0.207SC..Hα-helixtrans-66.1-40.7-178.5-66.3-58.1-24.600112.5F54 F58 S68 Y69 L70 L75 S76F54-Q72 VanDerWaalsContact CE1-CD 3.49Å; F54-Q72 HydrophobicContact CE1-CG 3.93Å; F54-Q72 HydrophobicContact CZ-CG 4.22Å; F58-Q72 HydrophobicContact CE1-CG 4.09Å; F58-Q72 HydrophobicContact CZ-CG 3.88Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.12Å; Y69-Q72 PolarHBondContact O-N 3.14Å; Y69-Q72 VanDerWaalsContact O-N 3.17Å; L70-Q72 PolarHBondContact O-N 2.7Å; Q72-L75 PolarHBondContact O-N 3.15Å; Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 2.6Å; Q72-S76 PolarHBondContact O-OG 3.06Å
73M92.5Very high88.5Confident30 Ų3035.5 Ų35.515%0.14820%0.204CC..Hα-helixtrans-62.6-46.5175.6-70.5-60.4-76.900110.9Y69 L70 L75 S76 F77 Y99 L168 T175Y69-M73 HydrophobicContact CD1-CG 4.06Å; Y69-M73 HydrophobicContact CE1-CG 3.63Å; Y69-M73 HydrophobicContact CE2-CG 4.08Å; Y69-M73 HydrophobicContact CE2-SD 4.35Å; Y69-M73 WeakPolarHBondContact O-CG 3.41Å; Y69-M73 PolarHBondContact O-N 3.49Å; L70-M73 PolarHBondContact O-N 3.32Å; M73-L75 PolarHBondContact O-N 3.26Å; M73-S76 WeakPolarHBondContact O-CB 3.46Å; M73-S76 PolarHBondContact O-N 2.83Å; M73-F77 HydrophobicContact CB-CE2 4.19Å; M73-F77 HydrophobicContact CB-CZ 4.49Å; M73-F77 HydrophobicContact CE-CE1 4.02Å; M73-F77 HydrophobicContact CE-CE2 4.2Å; M73-F77 HydrophobicContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact O-CD2 3.28Å; M73-F77 WeakPolarHBondContact O-CD2 3.34Å; M73-F77 WeakPolarHBondContact O-CG 3.38Å; M73-F77 PolarHBondContact O-N 2.8Å; M73-Y99 HydrophobicContact CE-CD1 4.21Å; M73-Y99 HydrophobicContact CE-CE1 4.1Å; M73-L168 HydrophobicContact CB-CD1 3.84Å; M73-T175 HydrophobicContact CE-CG2 4.12Å; M73-T175 HydrophobicContact CG-CG2 4.45Å
74A95.1Very high90.4Very high0 Ų032.5 Ų32.50%019%0.188CC..Hα-helixtrans-63.4-43.2178.900000112.4L70 Q71 S76 F77 I78 V142 I144 L166 L168L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.17Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.85Å; A74-F77 PolarHBondContact O-N 3.01Å; A74-I78 WeakPolarHBondContact O-CG1 3.34Å; A74-I78 PolarHBondContact O-N 3.26Å; A74-V142 HydrophobicContact CB-CB 3.63Å; A74-V142 HydrophobicContact CB-CG1 3.55Å; A74-V142 HydrophobicContact CB-CG2 3.8Å; A74-I144 HydrophobicContact CB-CD1 3.68Å; A74-L166 HydrophobicContact CB-CB 4.47Å; A74-L166 HydrophobicContact CB-CD2 3.94Å; A74-L168 HydrophobicContact CB-CD1 4.27Å
75L94.5Very high92Very high29 Ų2931.2 Ų31.215%0.15218%0.179CC..Hα-helixtrans-61.2-41.3174.5-73.5171.3000111.9Q71 Q72 M73 I78 A79 Q130 V133 I144Q71-L75 HydrophobicContact CG-CD1 3.95Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.24Å; Q72-L75 PolarHBondContact O-N 3.15Å; M73-L75 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 2.82Å; L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.46Å; L75-Q130 HydrophobicContact CD2-CB 4.17Å; L75-Q130 HydrophobicContact CD2-CG 3.9Å; L75-V133 HydrophobicContact CD2-CG2 3.98Å; L75-I144 HydrophobicContact CD2-CD1 4.16Å; L75-I144 HydrophobicContact CD2-CG2 4.48Å; L75-I144 HydrophobicContact CG-CD1 4.45Å
76S94.5Very high93.1Very high59 Ų5931.6 Ų31.641%0.41318%0.18SC..Hα-helixtrans-63.1-43.7176.1-57.50000111.5Q72 M73 A74 A79 L80Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 2.6Å; Q72-S76 PolarHBondContact O-OG 3.06Å; M73-S76 WeakPolarHBondContact O-CB 3.46Å; M73-S76 PolarHBondContact O-N 2.83Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.85Å; S76-A79 PolarHBondContact O-N 2.94Å; S76-L80 WeakPolarHBondContact O-CG 3.32Å; S76-L80 PolarHBondContact O-N 2.83Å
77F96.5Very high93.7Very high2 Ų236.9 Ų36.91%0.00920%0.204CC..Hα-helixtrans-67.4-39.7178.7-62.7-26.3000112.9M73 A74 A79 L80 R81 L96 Y99 L166 L168 L177M73-F77 HydrophobicContact CB-CE2 4.19Å; M73-F77 HydrophobicContact CB-CZ 4.49Å; M73-F77 HydrophobicContact CE-CE1 4.02Å; M73-F77 HydrophobicContact CE-CE2 4.2Å; M73-F77 HydrophobicContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact O-CD2 3.28Å; M73-F77 WeakPolarHBondContact O-CD2 3.34Å; M73-F77 WeakPolarHBondContact O-CG 3.38Å; M73-F77 PolarHBondContact O-N 2.8Å; A74-F77 PolarHBondContact O-N 3.01Å; F77-A79 VanDerWaalsContact C-N 3.35Å; F77-L80 HydrophobicContact CD1-CD1 4.46Å; F77-L80 PolarHBondContact O-N 2.77Å; F77-R81 WeakPolarHBondContact O-CB 2.98Å; F77-R81 PolarHBondContact O-N 3.48Å; F77-R81 VanDerWaalsContact O-N 3.13Å; F77-L96 HydrophobicContact CB-CD1 4.05Å; F77-L96 HydrophobicContact CD1-CD1 4.07Å; F77-L96 HydrophobicContact CG-CD1 4.27Å; F77-Y99 HydrophobicContact CD1-CD2 4.36Å; F77-Y99 HydrophobicContact CD1-CG 4.4Å; F77-Y99 AromaticContact CE1-CD1 3.74Å; F77-Y99 HydrophobicContact CE1-CD1 3.74Å; F77-Y99 AromaticContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CE1 4.3Å; F77-Y99 HydrophobicContact CE1-CE2 4.18Å; F77-Y99 AromaticContact CE1-CG 3.34Å; F77-Y99 HydrophobicContact CE1-CG 3.34Å; F77-Y99 AromaticContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD2 4.38Å; F77-Y99 AromaticContact CZ-CG 3.68Å; F77-Y99 HydrophobicContact CZ-CG 3.68Å; F77-L166 HydrophobicContact CB-CD2 3.97Å; F77-L166 HydrophobicContact CD2-CD2 4.49Å; F77-L168 HydrophobicContact CD2-CD2 3.73Å; F77-L168 HydrophobicContact CE2-CD2 3.62Å; F77-L177 HydrophobicContact CB-CD2 4.27Å; F77-L177 HydrophobicContact CD2-CB 4Å; F77-L177 HydrophobicContact CD2-CD1 4.08Å; F77-L177 HydrophobicContact CD2-CD2 4.32Å; F77-L177 HydrophobicContact CD2-CG 4.37Å; F77-L177 HydrophobicContact CE2-CB 3.96Å; F77-L177 HydrophobicContact CG-CD2 4.35Å
78I96.4Very high94.3Very high3 Ų338.2 Ų38.22%0.01521%0.209CC..Hα-helixtrans-61.2-45.4172.3-75.4-165.5000110.8A74 L75 L80 R81 L82 F128 I144 Y164 L166 F180A74-I78 WeakPolarHBondContact O-CG1 3.34Å; A74-I78 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 2.82Å; I78-L80 PolarHBondContact O-N 2.92Å; I78-R81 PolarHBondContact O-N 3.38Å; I78-R81 VanDerWaalsContact O-N 3.14Å; I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 PolarHBondContact O-N 3.49Å; I78-F128 HydrophobicContact CD1-CE1 4.42Å; I78-F128 HydrophobicContact CG2-CB 4.35Å; I78-F128 HydrophobicContact CG2-CD1 3.44Å; I78-F128 VanDerWaalsContact CG2-CD1 3.44Å; I78-F128 HydrophobicContact CG2-CE1 3.86Å; I78-F128 HydrophobicContact CG2-CG 4Å; I78-I144 HydrophobicContact CD1-CB 3.55Å; I78-I144 HydrophobicContact CD1-CD1 3.35Å; I78-I144 HydrophobicContact CD1-CG1 3.9Å; I78-I144 HydrophobicContact CD1-CG2 3.78Å; I78-I144 HydrophobicContact CG1-CD1 4.06Å; I78-Y164 HydrophobicContact CD1-CD2 4.16Å; I78-Y164 HydrophobicContact CD1-CG 4.33Å; I78-L166 HydrophobicContact CD1-CD1 3.89Å; I78-L166 HydrophobicContact CG1-CD1 3.9Å; I78-L166 HydrophobicContact CG1-CD2 3.93Å; I78-F180 HydrophobicContact CG1-CE2 3.82Å; I78-F180 HydrophobicContact CG1-CZ 3.94Å
79A96.5Very high94.9Very high35 Ų3535.8 Ų35.829%0.28919%0.191SC..Hα-helixtrans-61.2-46.2177.400000111.6L75 S76 F77 R81 N83L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.46Å; S76-A79 PolarHBondContact O-N 2.94Å; F77-A79 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 2.93Å; A79-R81 VanDerWaalsContact O-N 3.1Å; A79-N83 HydrophobicContact CB-CB 4.48Å; A79-N83 WeakPolarHBondContact O-CA 3.32Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-N 3.29Å
80L96.5Very high95.4Very high43 Ų4337.5 Ų37.523%0.22520%0.203CC..Hα-helixtrans-60.7-22.3177.3-73.9173.7000113.5S76 F77 I78 S92 A95 L96S76-L80 WeakPolarHBondContact O-CG 3.32Å; S76-L80 PolarHBondContact O-N 2.83Å; F77-L80 HydrophobicContact CD1-CD1 4.46Å; F77-L80 PolarHBondContact O-N 2.77Å; I78-L80 PolarHBondContact O-N 2.92Å; L80-S92 VanDerWaalsContact CA-OG 3.24Å; L80-S92 WeakPolarHBondContact CA-OG 3.33Å; L80-S92 WeakPolarHBondContact O-CB 3.15Å; L80-S92 PolarHBondContact O-OG 3.24Å; L80-A95 HydrophobicContact CD1-CB 4.34Å; L80-A95 HydrophobicContact CD2-CB 3.9Å; L80-L96 HydrophobicContact CB-CB 4.24Å; L80-L96 HydrophobicContact CB-CD1 4.32Å
81R96.5Very high95.6Very high26 Ų2640.3 Ų40.310%0.09823%0.228CC..Hα-helixtrans-97.9-42.4-177.4-172.951.7160.1139.36.6113.7F77 I78 A79 H93 L96 E115 F180F77-R81 WeakPolarHBondContact O-CB 2.98Å; F77-R81 PolarHBondContact O-N 3.48Å; F77-R81 VanDerWaalsContact O-N 3.13Å; I78-R81 PolarHBondContact O-N 3.38Å; I78-R81 VanDerWaalsContact O-N 3.14Å; A79-R81 PolarHBondContact O-N 2.93Å; A79-R81 VanDerWaalsContact O-N 3.1Å; R81-H93 PolarHBondContact NH1-CE1 3.49Å; R81-H93 PolarHBondContact NH1-NE2 3.18Å; R81-L96 HydrophobicContact CB-CD2 3.98Å; R81-L96 HydrophobicContact CG-CD2 4.25Å; R81-E115 IonicContact CZ-OE1 3.92Å; R81-E115 IonicContact CZ-OE2 3.55Å; R81-E115 IonicContact NE-OE2 2.96Å; R81-E115 IonicContact NH1-OE1 2.78Å; R81-E115 IonicContact NH1-OE2 3.05Å; R81-E115 PolarHBondContact NH1-OE2 3.28Å; R81-E115 IonicContact NH2-OE1 2.87Å; R81-E115 PolarHBondContact NH2-OE1 3.38Å; R81-E115 IonicContact NH2-OE2 3.55Å; R81-E115 PolarHBondContact NH2-OE2 3.26Å; R81-F180 HydrophobicContact CB-CE2 3.95Å; R81-F180 HydrophobicContact CB-CZ 4.13Å; R81-F180 HydrophobicContact CG-CE1 4.46Å; R81-F180 HydrophobicContact CG-CE2 4.06Å; R81-F180 HydrophobicContact CG-CZ 3.96Å
82L96.9Very high95.9Very high23 Ų2337.9 Ų37.912%0.1222%0.219CC..Hα-helixtrans-110.3-17.9-168.2-56.3-175.7000113.4I78 V84 S126 F128 L148 Y164 F180I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 PolarHBondContact O-N 3.49Å; L82-V84 PolarHBondContact O-N 2.82Å; L82-S126 CarbonylContact O-C 3.59Å; L82-S126 VanDerWaalsContact O-C 3.29Å; L82-S126 WeakPolarHBondContact O-CB 3.31Å; L82-S126 VanDerWaalsContact O-O 3.13Å; L82-S126 PolarHBondContact O-OG 2.79Å; L82-F128 HydrophobicContact CB-CB 3.94Å; L82-F128 HydrophobicContact CD1-CB 4.11Å; L82-F128 HydrophobicContact CD1-CD2 4.06Å; L82-F128 HydrophobicContact CD1-CG 4.09Å; L82-L148 HydrophobicContact CB-CD1 4.29Å; L82-Y164 HydrophobicContact CD1-CD2 4.04Å; L82-Y164 HydrophobicContact CD1-CE1 4.38Å; L82-Y164 HydrophobicContact CD1-CE2 3.32Å; L82-F180 HydrophobicContact CD1-CZ 4.36Å; L82-F180 HydrophobicContact CG-CZ 4.34Å
83N97.6Very high96.2Very high69 Ų6935.3 Ų35.337%0.36921%0.207SC..SBendtrans-98.873.3178.7-61-0.8000109.3A79 S126 F128A79-N83 HydrophobicContact CB-CB 4.48Å; A79-N83 WeakPolarHBondContact O-CA 3.32Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-N 3.29Å; N83-S126 CarbonylContact C-O 3.57Å; N83-S126 WeakPolarHBondContact CA-O 3.48Å; N83-F128 WeakPolarHBondContact OD1-CB 3.24Å; N83-F128 PolarHBondContact OD1-N 3.47Å
84V97.7Very high96.4Very high2 Ų240 Ų401%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-137.3152.8-170.9-65.20000111.4L82 V89 I119 N125 S126L82-V84 PolarHBondContact O-N 2.82Å; V84-V89 HydrophobicContact CB-CB 4.14Å; V84-V89 HydrophobicContact CB-CG2 4.29Å; V84-V89 HydrophobicContact CG2-CG2 4.25Å; V84-I119 HydrophobicContact CG2-CD1 3.83Å; V84-N125 PolarHBondContact O-OD1 3.46Å; V84-S126 PolarHBondContact N-O 2.89Å; V84-S126 PolarHBondContact O-N 2.82Å
85S96.9Very high96.4Very high18 Ų1841.3 Ų41.313%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-127.2169.8171.772.90000109.9E87 T88 V89S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 2.9Å; S85-E87 PolarHBondContact OG-N 3.2Å; S85-E87 PolarHBondContact OG-OE2 3.17Å; S85-T88 PolarHBondContact N-OG1 2.8Å; S85-T88 PolarHBondContact O-N 3.45Å; S85-T88 PolarHBondContact O-OG1 2.72Å; S85-T88 PolarHBondContact OG-N 3.07Å; S85-T88 PolarHBondContact OG-OG1 2.83Å; S85-V89 WeakPolarHBondContact O-CB 3.38Å; S85-V89 PolarHBondContact O-N 2.7Å
86S95.5Very high96.4Very high20 Ų2040.1 Ų40.114%0.1423%0.232CC..THydrogen-bonded Turntrans-46.2-36.7173.1-57.30000113.8I119 N123 V124S86-I119 PolarHBondContact OG-O 2.82Å; S86-N123 WeakPolarHBondContact OG-CA 3.26Å; S86-N123 PolarHBondContact OG-OD1 3.19Å; S86-V124 PolarHBondContact N-O 2.98Å
87E95.6Very high96.4Very high144 Ų14438.7 Ų38.767%0.67322%0.22SC*.THydrogen-bonded Turntrans-83.7-27.8-177.6-53.375.4-163.100113.2S85S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 2.9Å; S85-E87 PolarHBondContact OG-N 3.2Å; S85-E87 PolarHBondContact OG-OE2 3.17Å
88T96.9Very high96.3Very high67 Ų6744.5 Ų44.541%0.41125%0.247SC..THydrogen-bonded Turntrans-106.8-17.9-169.856.20000113.7S85 D90 A91 S92S85-T88 PolarHBondContact N-OG1 2.8Å; S85-T88 PolarHBondContact O-N 3.45Å; S85-T88 PolarHBondContact O-OG1 2.72Å; S85-T88 PolarHBondContact OG-N 3.07Å; S85-T88 PolarHBondContact OG-OG1 2.83Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; T88-A91 PolarHBondContact O-N 3.17Å; T88-S92 WeakPolarHBondContact O-CB 3.46Å; T88-S92 PolarHBondContact O-N 3.19Å
89V97.7Very high96.1Very high0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-57.1-40.2-171.665.40000113.6V84 S85 S92 H93 A116 I119 K120V84-V89 HydrophobicContact CB-CB 4.14Å; V84-V89 HydrophobicContact CB-CG2 4.29Å; V84-V89 HydrophobicContact CG2-CG2 4.25Å; S85-V89 WeakPolarHBondContact O-CB 3.38Å; S85-V89 PolarHBondContact O-N 2.7Å; V89-S92 PolarHBondContact O-N 3.21Å; V89-H93 VanDerWaalsContact CG2-CE1 3.47Å; V89-H93 WeakPolarHBondContact CG2-CE1 3.19Å; V89-H93 VanDerWaalsContact O-CB 3.24Å; V89-H93 WeakPolarHBondContact O-CB 3.28Å; V89-H93 VanDerWaalsContact O-CG 3.3Å; V89-H93 PolarHBondContact O-N 3.2Å; V89-A116 HydrophobicContact CG1-CB 4.01Å; V89-A116 HydrophobicContact CG2-CB 3.77Å; V89-I119 HydrophobicContact CB-CG2 4.14Å; V89-I119 HydrophobicContact CG1-CG2 4.17Å; V89-I119 HydrophobicContact CG2-CB 4.47Å; V89-I119 HydrophobicContact CG2-CD1 3.71Å; V89-I119 HydrophobicContact CG2-CG2 4.32Å; V89-K120 HydrophobicContact CG1-CG 4.14Å
90D96.9Very high96Very high82 Ų8247 Ų4744%0.43925%0.25SS..Hα-helixtrans-64.2-49.6-179.6-69-20.8000111.8T88 S92 Q94 K120T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 3.4Å; D90-Q94 WeakPolarHBondContact O-CB 3.31Å; D90-Q94 PolarHBondContact O-N 2.96Å; D90-K120 VanDerWaalsContact OD1-CE 3.3Å; D90-K120 WeakPolarHBondContact OD1-CE 3.38Å; D90-K120 IonicContact OD1-NZ 2.81Å; D90-K120 PolarHBondContact OD1-NZ 3.45Å; D90-K120 WeakPolarHBondContact OD2-CE 3.23Å; D90-K120 IonicContact OD2-NZ 2.61Å; D90-K120 PolarHBondContact OD2-NZ 2.95Å
91A96.6Very high95.8Very high67 Ų6747.6 Ų47.655%0.55425%0.249SC*.Hα-helixtrans-65-40.5-178.900000110.7T88 Q94 A95T88-A91 PolarHBondContact O-N 3.17Å; A91-Q94 PolarHBondContact O-N 3.17Å; A91-A95 WeakPolarHBondContact O-CB 3.3Å; A91-A95 PolarHBondContact O-N 3.12Å
92S96.5Very high95.4Very high16 Ų1650.7 Ų50.711%0.11227%0.273CS..Hα-helixtrans-65.8-47.9179.3-158.90000112L80 T88 V89 D90 Q94 A95 L96L80-S92 VanDerWaalsContact CA-OG 3.24Å; L80-S92 WeakPolarHBondContact CA-OG 3.33Å; L80-S92 WeakPolarHBondContact O-CB 3.15Å; L80-S92 PolarHBondContact O-OG 3.24Å; T88-S92 WeakPolarHBondContact O-CB 3.46Å; T88-S92 PolarHBondContact O-N 3.19Å; V89-S92 PolarHBondContact O-N 3.21Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 3.4Å; S92-Q94 PolarHBondContact O-N 2.78Å; S92-A95 PolarHBondContact O-N 2.94Å; S92-L96 PolarHBondContact O-N 2.91Å
93H97.3Very high95.1Very high7 Ų753.6 Ų53.63%0.03231%0.309CS..Hα-helixtrans-65.4-37.7175.5-75.6-171.9000112.1R81 V89 L96 L97 L112R81-H93 PolarHBondContact NH1-CE1 3.49Å; R81-H93 PolarHBondContact NH1-NE2 3.18Å; V89-H93 VanDerWaalsContact CG2-CE1 3.47Å; V89-H93 WeakPolarHBondContact CG2-CE1 3.19Å; V89-H93 VanDerWaalsContact O-CB 3.24Å; V89-H93 WeakPolarHBondContact O-CB 3.28Å; V89-H93 VanDerWaalsContact O-CG 3.3Å; V89-H93 PolarHBondContact O-N 3.2Å; H93-L96 PolarHBondContact O-N 3.46Å; H93-L97 WeakPolarHBondContact O-CG 3.5Å; H93-L97 PolarHBondContact O-N 3.16Å; H93-L112 HydrophobicContact CB-CB 4.13Å; H93-L112 HydrophobicContact CB-CD1 3.9Å; H93-L112 HydrophobicContact CB-CG 4.47Å; H93-L112 PolarHBondContact CE1-O 3.41Å; H93-L112 PolarHBondContact ND1-O 3.42Å
94Q95.5Very high94.8Very high128 Ų12852.2 Ų52.260%0.59831%0.307SS*.Hα-helixtrans-63.6-41.7174.8-178.3176.9-9.700111.8D90 A91 S92 L97D90-Q94 WeakPolarHBondContact O-CB 3.31Å; D90-Q94 PolarHBondContact O-N 2.96Å; A91-Q94 PolarHBondContact O-N 3.17Å; S92-Q94 PolarHBondContact O-N 2.78Å; Q94-L97 PolarHBondContact O-N 2.76Å
95A94.8Very high94.5Very high28 Ų2855.3 Ų55.323%0.23132%0.321CS..Hα-helixtrans-64-40.9174.400000111.5L80 A91 S92 L97 Q98 Y99L80-A95 HydrophobicContact CD1-CB 4.34Å; L80-A95 HydrophobicContact CD2-CB 3.9Å; A91-A95 WeakPolarHBondContact O-CB 3.3Å; A91-A95 PolarHBondContact O-N 3.12Å; S92-A95 PolarHBondContact O-N 2.94Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.75Å; A95-Q98 WeakPolarHBondContact O-CB 3.48Å; A95-Q98 PolarHBondContact O-N 3.3Å; A95-Y99 WeakPolarHBondContact O-CD2 3.49Å
96L95.4Very high94.4Very high3 Ų360.8 Ų60.82%0.01635%0.349CS..Hα-helixtrans-60.7-40.9175.9-173.964.1000112.4F77 L80 R81 S92 H93 Q98 Y99 L112 L177F77-L96 HydrophobicContact CB-CD1 4.05Å; F77-L96 HydrophobicContact CD1-CD1 4.07Å; F77-L96 HydrophobicContact CG-CD1 4.27Å; L80-L96 HydrophobicContact CB-CB 4.24Å; L80-L96 HydrophobicContact CB-CD1 4.32Å; R81-L96 HydrophobicContact CB-CD2 3.98Å; R81-L96 HydrophobicContact CG-CD2 4.25Å; S92-L96 PolarHBondContact O-N 2.91Å; H93-L96 PolarHBondContact O-N 3.46Å; L96-Q98 PolarHBondContact O-N 2.94Å; L96-Q98 VanDerWaalsContact O-N 3.15Å; L96-Y99 PolarHBondContact O-N 3.1Å; L96-L112 HydrophobicContact CD2-CD1 4.47Å; L96-L112 HydrophobicContact CD2-CD2 4.34Å; L96-L177 HydrophobicContact CD1-CD2 3.82Å
97L94.6Very high94.3Very high30 Ų3066.5 Ų66.516%0.15737%0.373CS..Hα-helixtrans-58.6-27.1179.4-76.3170.6000113.6H93 Q94 A95 Y99 I100 M108 K109 L112H93-L97 WeakPolarHBondContact O-CG 3.5Å; H93-L97 PolarHBondContact O-N 3.16Å; Q94-L97 PolarHBondContact O-N 2.76Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.75Å; L97-Y99 PolarHBondContact O-N 3.11Å; L97-I100 HydrophobicContact CD2-CG1 4.41Å; L97-I100 PolarHBondContact O-N 3.32Å; L97-M108 HydrophobicContact CD2-CB 3.96Å; L97-M108 HydrophobicContact CD2-CG 3.82Å; L97-K109 HydrophobicContact CD1-CB 4.19Å; L97-K109 HydrophobicContact CD1-CG 4.17Å; L97-K109 HydrophobicContact CD2-CB 4.27Å; L97-L112 HydrophobicContact CD1-CD1 4.14Å; L97-L112 HydrophobicContact CD2-CD1 3.67Å; L97-L112 HydrophobicContact CG-CD1 3.57Å
98Q93Very high94.2Very high124 Ų12461.9 Ų61.958%0.57935%0.352SS*.THydrogen-bonded Turntrans-63.8-23.4177.2-60.6177.9-9.700112.6A95 L96A95-Q98 WeakPolarHBondContact O-CB 3.48Å; A95-Q98 PolarHBondContact O-N 3.3Å; L96-Q98 PolarHBondContact O-N 2.94Å; L96-Q98 VanDerWaalsContact O-N 3.15Å
99Y94.1Very high94.1Very high85 Ų8565 Ų6533%0.33336%0.36SS..THydrogen-bonded Turntrans-101.43-180-59.2-82.4000113.2M73 F77 A95 L96 L97 W176 L177M73-Y99 HydrophobicContact CE-CD1 4.21Å; M73-Y99 HydrophobicContact CE-CE1 4.1Å; F77-Y99 HydrophobicContact CD1-CD2 4.36Å; F77-Y99 HydrophobicContact CD1-CG 4.4Å; F77-Y99 AromaticContact CE1-CD1 3.74Å; F77-Y99 HydrophobicContact CE1-CD1 3.74Å; F77-Y99 AromaticContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CE1 4.3Å; F77-Y99 HydrophobicContact CE1-CE2 4.18Å; F77-Y99 AromaticContact CE1-CG 3.34Å; F77-Y99 HydrophobicContact CE1-CG 3.34Å; F77-Y99 AromaticContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD2 4.38Å; F77-Y99 AromaticContact CZ-CG 3.68Å; F77-Y99 HydrophobicContact CZ-CG 3.68Å; A95-Y99 WeakPolarHBondContact O-CD2 3.49Å; L96-Y99 PolarHBondContact O-N 3.1Å; L97-Y99 PolarHBondContact O-N 3.11Å; Y99-W176 CarbonylContact O-C 3.59Å; Y99-W176 WeakPolarHBondContact O-CA 3.33Å; Y99-L177 PolarHBondContact O-N 3.04Å
100I94Very high94.1Very high6 Ų669.5 Ų69.53%0.03139%0.388CS..BIsolated β-bridgetrans-89139172.3-55-57.9000108.8L97 A104 Q105 M108 W176 L177L97-I100 HydrophobicContact CD2-CG1 4.41Å; L97-I100 PolarHBondContact O-N 3.32Å; I100-A104 HydrophobicContact CG2-CB 3.93Å; I100-Q105 HydrophobicContact CB-CG 3.95Å; I100-Q105 HydrophobicContact CG2-CG 4.07Å; I100-Q105 WeakPolarHBondContact O-CG 3.38Å; I100-Q105 PolarHBondContact O-NE2 2.86Å; I100-M108 HydrophobicContact CD1-CG 4.33Å; I100-M108 HydrophobicContact CG1-CB 4.45Å; I100-M108 HydrophobicContact CG1-CG 3.99Å; I100-M108 HydrophobicContact CG2-CB 4.15Å; I100-W176 WeakPolarHBondContact O-CZ3 3.49Å; I100-L177 HydrophobicContact CD1-CB 4.01Å; I100-L177 HydrophobicContact CD1-CD2 3.87Å; I100-L177 HydrophobicContact CD1-CG 4.09Å
101R90.8Very high94Very high55 Ų5568.9 Ų68.921%0.20838%0.383CS..  trans-57.8141.7177.7-70.8-174.2178.8-100.4-1.1111.2G103 A104 Q105 K169 E171 W176 D178R101-G103 PolarHBondContact O-N 3.35Å; R101-A104 PolarHBondContact O-N 3.33Å; R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.27Å; R101-K169 VanDerWaalsContact NH2-CB 3.34Å; R101-E171 IonicContact CZ-OE1 3.39Å; R101-E171 IonicContact CZ-OE2 3.53Å; R101-E171 VanDerWaalsContact NH1-CD 3.26Å; R101-E171 IonicContact NH1-OE1 3.2Å; R101-E171 PolarHBondContact NH1-OE1 2.93Å; R101-E171 IonicContact NH1-OE2 2.72Å; R101-E171 PolarHBondContact NH1-OE2 2.85Å; R101-E171 IonicContact NH2-OE1 2.7Å; R101-E171 PolarHBondContact NH2-OE1 3.47Å; R101-E171 IonicContact NH2-OE2 3.45Å; R101-E171 PolarHBondContact NH2-OE2 3.29Å; R101-W176 HydrophobicContact CG-CB 3.83Å; R101-W176 HydrophobicContact CG-CD2 4.1Å; R101-W176 HydrophobicContact CG-CE3 4.4Å; R101-W176 HydrophobicContact CG-CG 3.85Å; R101-D178 IonicContact NE-OD1 3.03Å; R101-D178 PolarHBondContact NE-OD1 3.11Å
102P88.1Confident94Very high90 Ų9065.9 Ų65.958%0.58436%0.358SS*.Hα-helixtrans-50.9-38.4-179.4-29.635.3000114.4A104 Q105P102-A104 VanDerWaalsContact C-N 3.28Å; P102-A104 PolarHBondContact O-N 3.4Å; P102-Q105 PolarHBondContact O-N 2.81Å
103G90.7Very high93.9Very high85 Ų8567.6 Ų67.688%0.87637%0.373SS*.Hα-helixtrans-65.9-23.717800000115.1R101R101-G103 PolarHBondContact O-N 3.35Å
104A92.5Very high93.9Very high40 Ų4072.1 Ų72.133%0.33139%0.394SS..Hα-helixtrans-106.8-9.2-179.700000113.4I100 R101 P102 N106 Q107 M108I100-A104 HydrophobicContact CG2-CB 3.93Å; R101-A104 PolarHBondContact O-N 3.33Å; P102-A104 VanDerWaalsContact C-N 3.28Å; P102-A104 PolarHBondContact O-N 3.4Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.77Å; A104-Q107 PolarHBondContact O-N 3.3Å; A104-M108 PolarHBondContact O-N 3.44Å
105Q91.9Very high93.9Very high67 Ų6769.4 Ų69.431%0.31338%0.382SS..Hα-helixtrans-58.1-42-175.9-85-179.527.200113.1I100 R101 P102 Q107 M108 K109I100-Q105 HydrophobicContact CB-CG 3.95Å; I100-Q105 HydrophobicContact CG2-CG 4.07Å; I100-Q105 WeakPolarHBondContact O-CG 3.38Å; I100-Q105 PolarHBondContact O-NE2 2.86Å; R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.27Å; P102-Q105 PolarHBondContact O-N 2.81Å; Q105-Q107 PolarHBondContact O-N 3.25Å; Q105-M108 PolarHBondContact O-N 2.8Å; Q105-K109 VanDerWaalsContact O-CB 3.25Å; Q105-K109 WeakPolarHBondContact O-CB 3.33Å; Q105-K109 PolarHBondContact O-N 3.25Å
106N93.6Very high94.1Very high132 Ų13268.3 Ų68.371%0.70637%0.373SS*.Hα-helixtrans-63.1-44.8-179-73.7-19.2000112.1A104 K109 V110A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.77Å; N106-K109 PolarHBondContact O-N 2.82Å; N106-V110 PolarHBondContact O-N 2.83Å
107Q93.9Very high94.2Very high140 Ų14073.6 Ų73.665%0.65440%0.396SS*.Hα-helixtrans-64.8-47177.3-176.3-178.810.100110.7A104 Q105 K109 V110 I111A104-Q107 PolarHBondContact O-N 3.3Å; Q105-Q107 PolarHBondContact O-N 3.25Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.4Å; Q107-V110 PolarHBondContact O-N 3.41Å; Q107-I111 HydrophobicContact CG-CD1 4.31Å; Q107-I111 PolarHBondContact O-N 3.36Å
108M94.1Very high94.2Very high47 Ų4780.3 Ų80.323%0.23242%0.419CS..Hα-helixtrans-61.7-40.1178.9-172.956.269.700111.3L97 I100 A104 Q105 V110 I111 L112L97-M108 HydrophobicContact CD2-CB 3.96Å; L97-M108 HydrophobicContact CD2-CG 3.82Å; I100-M108 HydrophobicContact CD1-CG 4.33Å; I100-M108 HydrophobicContact CG1-CB 4.45Å; I100-M108 HydrophobicContact CG1-CG 3.99Å; I100-M108 HydrophobicContact CG2-CB 4.15Å; A104-M108 PolarHBondContact O-N 3.44Å; Q105-M108 PolarHBondContact O-N 2.8Å; M108-V110 VanDerWaalsContact C-N 3.28Å; M108-V110 PolarHBondContact O-N 3.25Å; M108-I111 PolarHBondContact O-N 3.04Å; M108-I111 VanDerWaalsContact O-N 3.12Å; M108-I111 HydrophobicContact SD-CB 4.47Å; M108-L112 HydrophobicContact CG-CD1 3.98Å; M108-L112 HydrophobicContact CG-CD2 4.4Å; M108-L112 HydrophobicContact CG-CG 3.91Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.35Å; M108-L112 HydrophobicContact SD-CD2 3.91Å; M108-L112 HydrophobicContact SD-CG 3.97Å
109K95Very high94.4Very high133 Ų13375.4 Ų75.458%0.57840%0.397SS*.Hα-helixtrans-57.5-39.1177.8-175.1176.7-179.6179.80112.6L97 Q105 N106 Q107 A113L97-K109 HydrophobicContact CD1-CB 4.19Å; L97-K109 HydrophobicContact CD1-CG 4.17Å; L97-K109 HydrophobicContact CD2-CB 4.27Å; Q105-K109 VanDerWaalsContact O-CB 3.25Å; Q105-K109 WeakPolarHBondContact O-CB 3.33Å; Q105-K109 PolarHBondContact O-N 3.25Å; N106-K109 PolarHBondContact O-N 2.82Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.4Å; K109-A113 WeakPolarHBondContact O-CB 3.3Å; K109-A113 PolarHBondContact O-N 2.8Å
110V96.2Very high94.5Very high95 Ų9575.3 Ų75.358%0.57640%0.398SS*.Hα-helixtrans-65.8-46.6176176.60000110.8N106 Q107 M108 A113 E114N106-V110 PolarHBondContact O-N 2.83Å; Q107-V110 PolarHBondContact O-N 3.41Å; M108-V110 VanDerWaalsContact C-N 3.28Å; M108-V110 PolarHBondContact O-N 3.25Å; V110-A113 PolarHBondContact O-N 3.38Å; V110-E114 PolarHBondContact O-N 3.2Å
111I95.4Very high94.7Very high68 Ų6880.5 Ų80.535%0.34943%0.426SS..Hα-helixtrans-59.8-50.8178.8-63.6168.5000110.6Q107 M108 A113 E114 E115Q107-I111 HydrophobicContact CG-CD1 4.31Å; Q107-I111 PolarHBondContact O-N 3.36Å; M108-I111 PolarHBondContact O-N 3.04Å; M108-I111 VanDerWaalsContact O-N 3.12Å; M108-I111 HydrophobicContact SD-CB 4.47Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.03Å; I111-E114 PolarHBondContact O-N 3.17Å; I111-E115 WeakPolarHBondContact CG2-OE1 2.98Å; I111-E115 PolarHBondContact O-N 3.23Å; I111-E115 VanDerWaalsContact O-N 3.1Å
112L95.9Very high94.9Very high4 Ų482.3 Ų82.32%0.02144%0.439CS..Hα-helixtrans-62.5-34.1179.5-63.6-171.1000112.5H93 L96 L97 M108 A116H93-L112 HydrophobicContact CB-CB 4.13Å; H93-L112 HydrophobicContact CB-CD1 3.9Å; H93-L112 HydrophobicContact CB-CG 4.47Å; H93-L112 PolarHBondContact CE1-O 3.41Å; H93-L112 PolarHBondContact ND1-O 3.42Å; L96-L112 HydrophobicContact CD2-CD1 4.47Å; L96-L112 HydrophobicContact CD2-CD2 4.34Å; L97-L112 HydrophobicContact CD1-CD1 4.14Å; L97-L112 HydrophobicContact CD2-CD1 3.67Å; L97-L112 HydrophobicContact CG-CD1 3.57Å; M108-L112 HydrophobicContact CG-CD1 3.98Å; M108-L112 HydrophobicContact CG-CD2 4.4Å; M108-L112 HydrophobicContact CG-CG 3.91Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.35Å; M108-L112 HydrophobicContact SD-CD2 3.91Å; M108-L112 HydrophobicContact SD-CG 3.97Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.38Å
113A96.3Very high95.2Very high53 Ų5381.9 Ų81.944%0.43843%0.432SS..Hα-helixtrans-71.1-42.2179.200000112.2K109 V110 I111 E115 A116 K117K109-A113 WeakPolarHBondContact O-CB 3.3Å; K109-A113 PolarHBondContact O-N 2.8Å; V110-A113 PolarHBondContact O-N 3.38Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.03Å; A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 3.2Å; A113-A116 PolarHBondContact O-N 2.97Å; A113-K117 WeakPolarHBondContact O-CB 3.22Å; A113-K117 PolarHBondContact O-N 3.5Å
114E97Very high95.5Very high101 Ų10178.8 Ų78.847%0.47240%0.396SS..Hα-helixtrans-64.2-38.8175.2-74.3-57.6129.700111.6V110 I111 K117 R118V110-E114 PolarHBondContact O-N 3.2Å; I111-E114 PolarHBondContact O-N 3.17Å; E114-K117 PolarHBondContact O-N 3.42Å; E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 PolarHBondContact O-N 3.36Å; E114-R118 VanDerWaalsContact O-N 3.09Å
115E95.5Very high95.7Very high71 Ų7180.3 Ų80.333%0.33240%0.399SS..Hα-helixtrans-69.6-43.3175-73.9-177.7-141.100112.8R81 I111 A113 K117 R118 I119R81-E115 IonicContact CZ-OE1 3.92Å; R81-E115 IonicContact CZ-OE2 3.55Å; R81-E115 IonicContact NE-OE2 2.96Å; R81-E115 IonicContact NH1-OE1 2.78Å; R81-E115 IonicContact NH1-OE2 3.05Å; R81-E115 PolarHBondContact NH1-OE2 3.28Å; R81-E115 IonicContact NH2-OE1 2.87Å; R81-E115 PolarHBondContact NH2-OE1 3.38Å; R81-E115 IonicContact NH2-OE2 3.55Å; R81-E115 PolarHBondContact NH2-OE2 3.26Å; I111-E115 WeakPolarHBondContact CG2-OE1 2.98Å; I111-E115 PolarHBondContact O-N 3.23Å; I111-E115 VanDerWaalsContact O-N 3.1Å; A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 3.2Å; E115-K117 PolarHBondContact O-N 2.97Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 VanDerWaalsContact O-N 3.17Å; E115-I119 WeakPolarHBondContact O-CB 3.48Å; E115-I119 VanDerWaalsContact O-CG1 3.31Å; E115-I119 WeakPolarHBondContact O-CG1 3.49Å; E115-I119 PolarHBondContact O-N 2.74Å
116A97.3Very high96Very high6 Ų677.8 Ų77.85%0.0539%0.389CS..Hα-helixtrans-58.6-39174.400000111.7V89 L112 A113 I119 K120V89-A116 HydrophobicContact CG1-CB 4.01Å; V89-A116 HydrophobicContact CG2-CB 3.77Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.38Å; A113-A116 PolarHBondContact O-N 2.97Å; A116-I119 PolarHBondContact O-N 3.49Å; A116-K120 VanDerWaalsContact O-CG 3.31Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.88Å
117K97.6Very high96.2Very high114 Ų11472.4 Ų72.450%0.49636%0.362SS..Hα-helixtrans-62.8-45.7175.5-175.9-179.6177.9-175.20111.9A113 E114 E115 K120 N121A113-K117 WeakPolarHBondContact O-CB 3.22Å; A113-K117 PolarHBondContact O-N 3.5Å; E114-K117 PolarHBondContact O-N 3.42Å; E115-K117 PolarHBondContact O-N 2.97Å; K117-K120 PolarHBondContact O-N 2.79Å; K117-N121 VanDerWaalsContact O-CB 3.32Å; K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 PolarHBondContact O-N 2.74Å; K117-N121 PolarHBondContact O-ND2 3.42Å; K117-N121 PolarHBondContact O-OD1 3.39Å
118R95.8Very high96.4Very high170 Ų17066 Ų6664%0.64233%0.332SS*.Hα-helixtrans-61.5-47.1175.7-72.6173.4178.2-103.31.9111.6E114 E115 K120 N121 D122E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 PolarHBondContact O-N 3.36Å; E114-R118 VanDerWaalsContact O-N 3.09Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 VanDerWaalsContact O-N 3.17Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 3.34Å; R118-N121 PolarHBondContact O-N 2.91Å; R118-D122 PolarHBondContact O-N 3.5Å
119I96.7Very high96.5Very high21 Ų2168.9 Ų68.911%0.10834%0.344CS..Hα-helixtrans-56.3-45.5178.3-72.8163.7000110.8V84 S86 V89 E115 A116 N123 V124V84-I119 HydrophobicContact CG2-CD1 3.83Å; S86-I119 PolarHBondContact OG-O 2.82Å; V89-I119 HydrophobicContact CB-CG2 4.14Å; V89-I119 HydrophobicContact CG1-CG2 4.17Å; V89-I119 HydrophobicContact CG2-CB 4.47Å; V89-I119 HydrophobicContact CG2-CD1 3.71Å; V89-I119 HydrophobicContact CG2-CG2 4.32Å; E115-I119 WeakPolarHBondContact O-CB 3.48Å; E115-I119 VanDerWaalsContact O-CG1 3.31Å; E115-I119 WeakPolarHBondContact O-CG1 3.49Å; E115-I119 PolarHBondContact O-N 2.74Å; A116-I119 PolarHBondContact O-N 3.49Å; I119-N123 WeakPolarHBondContact O-CA 3.35Å; I119-N123 PolarHBondContact O-N 3.46Å; I119-V124 HydrophobicContact CB-CB 4.34Å; I119-V124 HydrophobicContact CG1-CB 4.3Å; I119-V124 HydrophobicContact CG2-CB 4.2Å; I119-V124 WeakPolarHBondContact CG2-O 3.2Å; I119-V124 PolarHBondContact O-N 3.34Å
120K97.2Very high96.5Very high84 Ų8467.7 Ų67.737%0.36534%0.34SS..Hα-helixtrans-71.1-41.8178.7-70.7175.9-174.9179.80113.8V89 D90 A116 K117 R118 D122 N123V89-K120 HydrophobicContact CG1-CG 4.14Å; D90-K120 VanDerWaalsContact OD1-CE 3.3Å; D90-K120 WeakPolarHBondContact OD1-CE 3.38Å; D90-K120 IonicContact OD1-NZ 2.81Å; D90-K120 PolarHBondContact OD1-NZ 3.45Å; D90-K120 WeakPolarHBondContact OD2-CE 3.23Å; D90-K120 IonicContact OD2-NZ 2.61Å; D90-K120 PolarHBondContact OD2-NZ 2.95Å; A116-K120 VanDerWaalsContact O-CG 3.31Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.88Å; K117-K120 PolarHBondContact O-N 2.79Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 3.34Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.02Å; K120-N123 PolarHBondContact O-N 2.96Å
121N96.6Very high96.4Very high114 Ų11467.4 Ų67.461%0.6134%0.339SS*.Hα-helixtrans-63.6-41.5-177.2-75.2-7.2000111.8K117 R118 N123K117-N121 VanDerWaalsContact O-CB 3.32Å; K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 PolarHBondContact O-N 2.74Å; K117-N121 PolarHBondContact O-ND2 3.42Å; K117-N121 PolarHBondContact O-OD1 3.39Å; R118-N121 PolarHBondContact O-N 2.91Å; N121-N123 VanDerWaalsContact C-N 3.34Å
122D94.8Very high96.3Very high93 Ų9366.8 Ų66.850%0.49734%0.341SS..THydrogen-bonded Turntrans-95.57-175.7-57.2-30.6000112.3R118 K120 V124 I152R118-D122 PolarHBondContact O-N 3.5Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.02Å; D122-V124 VanDerWaalsContact C-N 3.33Å; D122-V124 HydrophobicContact CB-CG2 3.75Å; D122-V124 PolarHBondContact O-N 3.34Å; D122-I152 HydrophobicContact CB-CG2 4.38Å; D122-I152 WeakPolarHBondContact O-CG2 3.4Å
123N95.6Very high96.2Very high82 Ų8268.3 Ų68.344%0.43935%0.35SS..THydrogen-bonded Turntrans46.254.9-173.1-165.721.7000112.7S86 I119 K120 N121 G153S86-N123 WeakPolarHBondContact OG-CA 3.26Å; S86-N123 PolarHBondContact OG-OD1 3.19Å; I119-N123 WeakPolarHBondContact O-CA 3.35Å; I119-N123 PolarHBondContact O-N 3.46Å; K120-N123 PolarHBondContact O-N 2.96Å; N121-N123 VanDerWaalsContact C-N 3.34Å; N123-G153 PolarHBondContact O-N 2.69Å
124V96.7Very high96.1Very high19 Ų1973.3 Ų73.312%0.11536%0.358CS..EExtended strand (participates in β ladder)trans-82.6133.9-177.3-173.10000109.8S86 I119 D122 T150 W151 I152S86-V124 PolarHBondContact N-O 2.98Å; I119-V124 HydrophobicContact CB-CB 4.34Å; I119-V124 HydrophobicContact CG1-CB 4.3Å; I119-V124 HydrophobicContact CG2-CB 4.2Å; I119-V124 WeakPolarHBondContact CG2-O 3.2Å; I119-V124 PolarHBondContact O-N 3.34Å; D122-V124 VanDerWaalsContact C-N 3.33Å; D122-V124 HydrophobicContact CB-CG2 3.75Å; D122-V124 PolarHBondContact O-N 3.34Å; V124-T150 HydrophobicContact CG1-CG2 3.52Å; V124-W151 CarbonylContact C-O 3.58Å; V124-W151 VanDerWaalsContact CA-O 3.28Å; V124-W151 WeakPolarHBondContact CA-O 3.45Å; V124-I152 HydrophobicContact CG2-CG1 4.47Å
125N97.1Very high95.9Very high73 Ų7369.8 Ų69.839%0.3934%0.343SS..EExtended strand (participates in β ladder)trans-118.3137.2162.8-177.49.8000107.7V84 T150 W151V84-N125 PolarHBondContact O-OD1 3.46Å; N125-T150 CarbonylContact O-C 3.58Å; N125-T150 WeakPolarHBondContact O-CA 3.31Å; N125-W151 HydrophobicContact CB-CB 4.26Å; N125-W151 HydrophobicContact CB-CE3 4.49Å; N125-W151 PolarHBondContact N-O 3.46Å; N125-W151 PolarHBondContact O-N 3.38Å
126S97.6Very high95.8Very high13 Ų1369.3 Ų69.39%0.09134%0.338CS..EExtended strand (participates in β ladder)trans-134.9145.517860.50000111.7L82 N83 V84 K149L82-S126 CarbonylContact O-C 3.59Å; L82-S126 VanDerWaalsContact O-C 3.29Å; L82-S126 WeakPolarHBondContact O-CB 3.31Å; L82-S126 VanDerWaalsContact O-O 3.13Å; L82-S126 PolarHBondContact O-OG 2.79Å; N83-S126 CarbonylContact C-O 3.57Å; N83-S126 WeakPolarHBondContact CA-O 3.48Å; V84-S126 PolarHBondContact N-O 2.89Å; V84-S126 PolarHBondContact O-N 2.82Å; S126-K149 CarbonylContact C-O 3.53Å; S126-K149 WeakPolarHBondContact CA-O 3.3Å
127A97.3Very high95.4Very high19 Ų1972 Ų7216%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-143124.9175.500000109.9F129 K149 W151A127-F129 HydrophobicContact CB-CE2 3.67Å; A127-F129 HydrophobicContact CB-CZ 3.84Å; A127-K149 PolarHBondContact N-O 2.92Å; A127-K149 PolarHBondContact O-N 3.31Å; A127-W151 HydrophobicContact CB-CH2 4.18Å; A127-W151 HydrophobicContact CB-CZ3 3.83Å
128F97.8Very high94.9Very high6 Ų673.6 Ų73.63%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-99.2126.3175.1-178.3-95.6000110.5I78 L82 N83 Q130 I144 G146 V147 L148 K162 Y164I78-F128 HydrophobicContact CD1-CE1 4.42Å; I78-F128 HydrophobicContact CG2-CB 4.35Å; I78-F128 HydrophobicContact CG2-CD1 3.44Å; I78-F128 VanDerWaalsContact CG2-CD1 3.44Å; I78-F128 HydrophobicContact CG2-CE1 3.86Å; I78-F128 HydrophobicContact CG2-CG 4Å; L82-F128 HydrophobicContact CB-CB 3.94Å; L82-F128 HydrophobicContact CD1-CB 4.11Å; L82-F128 HydrophobicContact CD1-CD2 4.06Å; L82-F128 HydrophobicContact CD1-CG 4.09Å; N83-F128 WeakPolarHBondContact OD1-CB 3.24Å; N83-F128 PolarHBondContact OD1-N 3.47Å; F128-Q130 HydrophobicContact CE1-CB 4Å; F128-I144 HydrophobicContact CE1-CG2 3.64Å; F128-I144 HydrophobicContact CZ-CG2 3.93Å; F128-G146 VanDerWaalsContact CZ-CA 3.41Å; F128-V147 WeakPolarHBondContact CA-O 3.14Å; F128-L148 HydrophobicContact CB-CD1 4.13Å; F128-L148 HydrophobicContact CD2-CB 4.23Å; F128-K162 HydrophobicContact CE2-CB 4.14Å; F128-Y164 HydrophobicContact CD2-CE2 4.02Å; F128-Y164 AromaticContact CE2-CD2 3.91Å; F128-Y164 HydrophobicContact CE2-CD2 3.91Å; F128-Y164 AromaticContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CZ-CD2 4.05Å; F128-Y164 HydrophobicContact CZ-CE2 4.27Å
129F96.8Very high94.7Very high108 Ų10873 Ų7347%0.47436%0.363SS..EExtended strand (participates in β ladder)trans-112.5108177.5-59.3-85000109.2A127 G146 V147 K149A127-F129 HydrophobicContact CB-CE2 3.67Å; A127-F129 HydrophobicContact CB-CZ 3.84Å; F129-G146 CarbonylContact O-C 3.58Å; F129-G146 WeakPolarHBondContact O-CA 3.41Å; F129-V147 PolarHBondContact N-O 3.05Å; F129-V147 PolarHBondContact O-N 3.45Å; F129-K149 HydrophobicContact CD2-CD 4.43Å; F129-K149 HydrophobicContact CD2-CG 4.38Å; F129-K149 HydrophobicContact CE2-CB 4.4Å; F129-K149 HydrophobicContact CE2-CD 3.96Å; F129-K149 HydrophobicContact CE2-CG 4.19Å
130Q94.4Very high94.5Very high107 Ų10772.4 Ų72.450%0.536%0.362SS..EExtended strand (participates in β ladder)trans-65.8139.9179.173-77.15.800111.6L75 F128 V133 I144L75-Q130 HydrophobicContact CD2-CB 4.17Å; L75-Q130 HydrophobicContact CD2-CG 3.9Å; F128-Q130 HydrophobicContact CE1-CB 4Å; Q130-V133 HydrophobicContact CG-CG2 4.45Å; Q130-I144 HydrophobicContact CB-CG2 4.01Å
131T94.5Very high94.4Very high90 Ų9072.5 Ų72.555%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-115-28.3175.760.40000112R145 V147T131-R145 PolarHBondContact N-O 3.3Å; T131-R145 PolarHBondContact OG1-O 3Å; T131-V147 HydrophobicContact CG2-CG2 4.32Å
132S93.9Very high94.3Very high54 Ų5467 Ų6738%0.37833%0.331SS..EExtended strand (participates in β ladder)trans-151.1141.9177.2-168.80000110.1I144 R145S132-I144 WeakPolarHBondContact O-CA 3.44Å; S132-R145 PolarHBondContact N-O 2.88Å; S132-R145 VanDerWaalsContact N-O 3.09Å; S132-R145 PolarHBondContact O-N 3.36Å
133V93.8Very high94.4Very high37 Ų3763.8 Ų63.822%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-130.9130172.3-174.20000108.6Q71 L75 Q130 V135 V142 E143 I144Q71-V133 HydrophobicContact CB-CG1 4.47Å; Q71-V133 HydrophobicContact CG-CB 4.47Å; Q71-V133 HydrophobicContact CG-CG1 3.83Å; L75-V133 HydrophobicContact CD2-CG2 3.98Å; Q130-V133 HydrophobicContact CG-CG2 4.45Å; V133-V135 HydrophobicContact CG1-CG2 4.28Å; V133-V142 HydrophobicContact CG1-CG1 3.71Å; V133-E143 CarbonylContact C-O 3.6Å; V133-E143 VanDerWaalsContact CA-O 3.32Å; V133-E143 WeakPolarHBondContact CA-O 3.42Å; V133-I144 HydrophobicContact CG1-CG1 4.03Å; V133-I144 HydrophobicContact CG2-CG1 4.3Å; V133-I144 HydrophobicContact CG2-CG2 4.22Å
134R94Very high94.5Very high157 Ų15759.9 Ų59.959%0.59229%0.292SS*.EExtended strand (participates in β ladder)trans-127.1133.3175.1-172.4176.4-71.3-171.81109.3W136 V142 E143R134-W136 HydrophobicContact CB-CH2 3.63Å; R134-W136 HydrophobicContact CB-CZ2 4.31Å; R134-W136 HydrophobicContact CB-CZ3 4.04Å; R134-W136 HydrophobicContact CG-CH2 3.36Å; R134-W136 HydrophobicContact CG-CZ2 3.52Å; R134-W136 HydrophobicContact CG-CZ3 3.96Å; R134-W136 VanDerWaalsContact O-CZ3 3.24Å; R134-W136 WeakPolarHBondContact O-CZ3 3.28Å; R134-V142 CarbonylContact O-C 3.6Å; R134-V142 WeakPolarHBondContact O-CA 3.34Å; R134-E143 HydrophobicContact CB-CB 4.37Å; R134-E143 PolarHBondContact N-O 2.97Å; R134-E143 PolarHBondContact O-N 2.69Å
135V93.1Very high94.5Very high27 Ų2765.3 Ų65.316%0.16431%0.31CS..EExtended strand (participates in β ladder)trans-121135.2-174.8-175.40000109.9A67 L70 Q71 V133 P137 V142A67-V135 HydrophobicContact CB-CB 4.17Å; A67-V135 HydrophobicContact CB-CG1 4.04Å; L70-V135 HydrophobicContact CB-CG1 3.87Å; L70-V135 HydrophobicContact CD1-CG1 4.06Å; Q71-V135 HydrophobicContact CB-CG2 3.8Å; V133-V135 HydrophobicContact CG1-CG2 4.28Å; V135-P137 HydrophobicContact CG1-CG 4.12Å; V135-P137 WeakPolarHBondContact O-CD 3.35Å; V135-V142 HydrophobicContact CG1-CG2 4.15Å; V135-V142 HydrophobicContact CG2-CG1 4.05Å; V135-V142 HydrophobicContact CG2-CG2 4.29Å
136W93.6Very high94.5Very high62 Ų6261.9 Ų61.924%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-116.690.6168.6-59.2-97.3000109R134 Q138 Y139 G140 R141 E143R134-W136 HydrophobicContact CB-CH2 3.63Å; R134-W136 HydrophobicContact CB-CZ2 4.31Å; R134-W136 HydrophobicContact CB-CZ3 4.04Å; R134-W136 HydrophobicContact CG-CH2 3.36Å; R134-W136 HydrophobicContact CG-CZ2 3.52Å; R134-W136 HydrophobicContact CG-CZ3 3.96Å; R134-W136 VanDerWaalsContact O-CZ3 3.24Å; R134-W136 WeakPolarHBondContact O-CZ3 3.28Å; W136-Q138 PolarHBondContact O-N 3.29Å; W136-Y139 HydrophobicContact CB-CD2 3.87Å; W136-Y139 HydrophobicContact CG-CD2 4.38Å; W136-Y139 PolarHBondContact O-N 2.97Å; W136-G140 PolarHBondContact O-N 3.46Å; W136-G140 VanDerWaalsContact O-N 3.1Å; W136-R141 HydrophobicContact CB-CB 4.29Å; W136-R141 HydrophobicContact CD2-CG 4.47Å; W136-R141 HydrophobicContact CE3-CB 3.97Å; W136-R141 HydrophobicContact CE3-CG 3.61Å; W136-R141 HydrophobicContact CZ3-CG 4.05Å; W136-R141 PolarHBondContact N-O 2.79Å; W136-R141 PolarHBondContact O-N 3.23Å; W136-E143 HydrophobicContact CH2-CB 3.66Å; W136-E143 HydrophobicContact CH2-CG 3.57Å; W136-E143 WeakPolarHBondContact CH2-OE1 3.39Å; W136-E143 WeakPolarHBondContact CH2-OE2 3.33Å; W136-E143 HydrophobicContact CZ3-CB 3.5Å; W136-E143 HydrophobicContact CZ3-CG 3.43Å; W136-E143 VanDerWaalsContact CZ3-CG 3.43Å; W136-E143 WeakPolarHBondContact CZ3-OE1 3.23Å
137P88.9Confident94.4Very high62 Ų6263 Ų6340%0.40330%0.299SS..G310 helixtrans-58.1-35.6-176.5-24.834.5000113.2A67 L70 V135 Y139 G140A67-P137 HydrophobicContact CB-CG 3.71Å; L70-P137 HydrophobicContact CD1-CB 4.14Å; V135-P137 HydrophobicContact CG1-CG 4.12Å; V135-P137 WeakPolarHBondContact O-CD 3.35Å; P137-Y139 PolarHBondContact O-N 3.47Å; P137-G140 PolarHBondContact O-N 3.05Å
138Q87.8Confident94.5Very high148 Ų14863 Ų6369%0.69230%0.296SS*.G310 helixtrans-61.1-24.2179.569.7-167.825.100114.1W136W136-Q138 PolarHBondContact O-N 3.29Å
139Y90Very high94.5Very high157 Ų15766.3 Ų66.362%0.61631%0.31SS*.G310 helixtrans-112.8-1.5179.2-55.2-55000112.8W136 P137 R141W136-Y139 HydrophobicContact CB-CD2 3.87Å; W136-Y139 HydrophobicContact CG-CD2 4.38Å; W136-Y139 PolarHBondContact O-N 2.97Å; P137-Y139 PolarHBondContact O-N 3.47Å; Y139-R141 PolarHBondContact O-N 3.33Å
140G92.4Very high94.5Very high8 Ų862.3 Ų62.38%0.08230%0.295CS..THydrogen-bonded Turntrans59.222.1-16900000113.4W136 P137 L168W136-G140 PolarHBondContact O-N 3.46Å; W136-G140 VanDerWaalsContact O-N 3.1Å; P137-G140 PolarHBondContact O-N 3.05Å; G140-L168 WeakPolarHBondContact CA-O 3.46Å; G140-L168 PolarHBondContact O-N 3.49Å
141R95.2Very high94.7Very high86 Ų8660.5 Ų60.533%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-93136.9-176177.4-176174.5151.60.7110.1W136 Y139 E143 I165 L166 I167W136-R141 HydrophobicContact CB-CB 4.29Å; W136-R141 HydrophobicContact CD2-CG 4.47Å; W136-R141 HydrophobicContact CE3-CB 3.97Å; W136-R141 HydrophobicContact CE3-CG 3.61Å; W136-R141 HydrophobicContact CZ3-CG 4.05Å; W136-R141 PolarHBondContact N-O 2.79Å; W136-R141 PolarHBondContact O-N 3.23Å; Y139-R141 PolarHBondContact O-N 3.33Å; R141-E143 IonicContact CZ-OE1 2.67Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 3.5Å; R141-E143 IonicContact NH2-OE1 3.84Å; R141-E143 PolarHBondContact NH2-OE1 2.84Å; R141-I165 HydrophobicContact CG-CG2 3.93Å; R141-L166 CarbonylContact C-O 3.55Å; R141-L166 WeakPolarHBondContact CA-O 3.37Å; R141-I167 HydrophobicContact CB-CD1 3.74Å; R141-I167 HydrophobicContact CG-CD1 3.82Å
142V96Very high94.7Very high0 Ų059.5 Ų59.50%027%0.274CS..EExtended strand (participates in β ladder)trans-130.7123.4171.4-171.80000109.1L70 A74 V133 R134 V135 I144 L166 L168L70-V142 HydrophobicContact CB-CG2 4.03Å; A74-V142 HydrophobicContact CB-CB 3.63Å; A74-V142 HydrophobicContact CB-CG1 3.55Å; A74-V142 HydrophobicContact CB-CG2 3.8Å; V133-V142 HydrophobicContact CG1-CG1 3.71Å; R134-V142 CarbonylContact O-C 3.6Å; R134-V142 WeakPolarHBondContact O-CA 3.34Å; V135-V142 HydrophobicContact CG1-CG2 4.15Å; V135-V142 HydrophobicContact CG2-CG1 4.05Å; V135-V142 HydrophobicContact CG2-CG2 4.29Å; V142-I144 HydrophobicContact CG1-CD1 4.03Å; V142-I144 HydrophobicContact CG1-CG1 3.85Å; V142-L166 PolarHBondContact N-O 2.86Å; V142-L166 PolarHBondContact O-N 3.4Å; V142-L168 HydrophobicContact CG2-CD1 4.3Å
143E96.5Very high94.6Very high25 Ų2558.3 Ų58.312%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-100.3129.1172.8-85169.9-140.900109.3V133 R134 W136 R141 H163 Y164 I165V133-E143 CarbonylContact C-O 3.6Å; V133-E143 VanDerWaalsContact CA-O 3.32Å; V133-E143 WeakPolarHBondContact CA-O 3.42Å; R134-E143 HydrophobicContact CB-CB 4.37Å; R134-E143 PolarHBondContact N-O 2.97Å; R134-E143 PolarHBondContact O-N 2.69Å; W136-E143 HydrophobicContact CH2-CB 3.66Å; W136-E143 HydrophobicContact CH2-CG 3.57Å; W136-E143 WeakPolarHBondContact CH2-OE1 3.39Å; W136-E143 WeakPolarHBondContact CH2-OE2 3.33Å; W136-E143 HydrophobicContact CZ3-CB 3.5Å; W136-E143 HydrophobicContact CZ3-CG 3.43Å; W136-E143 VanDerWaalsContact CZ3-CG 3.43Å; W136-E143 WeakPolarHBondContact CZ3-OE1 3.23Å; R141-E143 IonicContact CZ-OE1 2.67Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 3.5Å; R141-E143 IonicContact NH2-OE1 3.84Å; R141-E143 PolarHBondContact NH2-OE1 2.84Å; E143-H163 WeakPolarHBondContact CB-NE2 3.36Å; E143-H163 WeakPolarHBondContact CG-NE2 3.32Å; E143-H163 IonicContact OE2-CE1 3.6Å; E143-H163 IonicContact OE2-NE2 3.73Å; E143-Y164 CarbonylContact C-O 3.51Å; E143-Y164 WeakPolarHBondContact CA-O 3.25Å; E143-I165 HydrophobicContact CG-CG1 3.96Å
144I96.8Very high94.4Very high0 Ų065 Ų650%031%0.305CS..EExtended strand (participates in β ladder)trans-130.2115.5-178.7-54.8178.5000108A74 L75 I78 F128 Q130 S132 V133 V142 Y164A74-I144 HydrophobicContact CB-CD1 3.68Å; L75-I144 HydrophobicContact CD2-CD1 4.16Å; L75-I144 HydrophobicContact CD2-CG2 4.48Å; L75-I144 HydrophobicContact CG-CD1 4.45Å; I78-I144 HydrophobicContact CD1-CB 3.55Å; I78-I144 HydrophobicContact CD1-CD1 3.35Å; I78-I144 HydrophobicContact CD1-CG1 3.9Å; I78-I144 HydrophobicContact CD1-CG2 3.78Å; I78-I144 HydrophobicContact CG1-CD1 4.06Å; F128-I144 HydrophobicContact CE1-CG2 3.64Å; F128-I144 HydrophobicContact CZ-CG2 3.93Å; Q130-I144 HydrophobicContact CB-CG2 4.01Å; S132-I144 WeakPolarHBondContact O-CA 3.44Å; V133-I144 HydrophobicContact CG1-CG1 4.03Å; V133-I144 HydrophobicContact CG2-CG1 4.3Å; V133-I144 HydrophobicContact CG2-CG2 4.22Å; V142-I144 HydrophobicContact CG1-CD1 4.03Å; V142-I144 HydrophobicContact CG1-CG1 3.85Å; I144-Y164 PolarHBondContact N-O 3.04Å; I144-Y164 PolarHBondContact O-N 2.96Å
145R96.6Very high94.3Very high132 Ų13260.7 Ų60.750%0.49830%0.299SS..EExtended strand (participates in β ladder)trans-102.9139.6172.3-168175.769.1-1613.7109.4T131 S132 I161 K162T131-R145 PolarHBondContact N-O 3.3Å; T131-R145 PolarHBondContact OG1-O 3Å; S132-R145 PolarHBondContact N-O 2.88Å; S132-R145 VanDerWaalsContact N-O 3.09Å; S132-R145 PolarHBondContact O-N 3.36Å; R145-I161 HydrophobicContact CG-CG2 4.48Å; R145-K162 WeakPolarHBondContact CA-O 3.34Å
146G96.6Very high94.4Very high1 Ų168.4 Ų68.41%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-168-173.9-18000000113.3F128 F129 K162F128-G146 VanDerWaalsContact CZ-CA 3.41Å; F129-G146 CarbonylContact O-C 3.58Å; F129-G146 WeakPolarHBondContact O-CA 3.41Å; G146-K162 PolarHBondContact N-O 3.24Å; G146-K162 PolarHBondContact O-N 2.81Å
147V97.3Very high94.5Very high38 Ų3867.5 Ų67.523%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-109.3118.2177.9-179.80000108F128 F129 T131 K149 T159 D160F128-V147 WeakPolarHBondContact CA-O 3.14Å; F129-V147 PolarHBondContact N-O 3.05Å; F129-V147 PolarHBondContact O-N 3.45Å; T131-V147 HydrophobicContact CG2-CG2 4.32Å; V147-K149 HydrophobicContact CG1-CG 4.35Å; V147-T159 HydrophobicContact CG1-CG2 3.39Å; V147-D160 CarbonylContact C-O 3.56Å; V147-D160 WeakPolarHBondContact CA-O 3.37Å
148L97.8Very high94.8Very high18 Ų1870.2 Ų70.29%0.09434%0.338CS..EExtended strand (participates in β ladder)trans-89.7120.5170.2-17763.7000108.5L82 F128 T159 D160 K162L82-L148 HydrophobicContact CB-CD1 4.29Å; F128-L148 HydrophobicContact CB-CD1 4.13Å; F128-L148 HydrophobicContact CD2-CB 4.23Å; L148-T159 WeakPolarHBondContact O-CA 3.24Å; L148-D160 PolarHBondContact N-O 3.4Å; L148-D160 PolarHBondContact O-N 3.47Å; L148-K162 HydrophobicContact CB-CG 3.8Å; L148-K162 HydrophobicContact CD2-CG 4.27Å
149K98Very high95.3Very high75 Ų7567.1 Ų67.133%0.32633%0.329SS..EExtended strand (participates in β ladder)trans-102.9130.7169.7-68-168.1175.5-175.20109.3S126 A127 F129 V147 W151 P157 F158S126-K149 CarbonylContact C-O 3.53Å; S126-K149 WeakPolarHBondContact CA-O 3.3Å; A127-K149 PolarHBondContact N-O 2.92Å; A127-K149 PolarHBondContact O-N 3.31Å; F129-K149 HydrophobicContact CD2-CD 4.43Å; F129-K149 HydrophobicContact CD2-CG 4.38Å; F129-K149 HydrophobicContact CE2-CB 4.4Å; F129-K149 HydrophobicContact CE2-CD 3.96Å; F129-K149 HydrophobicContact CE2-CG 4.19Å; V147-K149 HydrophobicContact CG1-CG 4.35Å; K149-W151 HydrophobicContact CB-CE3 4.28Å; K149-W151 HydrophobicContact CB-CH2 3.37Å; K149-W151 HydrophobicContact CB-CZ2 4.09Å; K149-W151 HydrophobicContact CB-CZ3 3.49Å; K149-W151 VanDerWaalsContact CB-CZ3 3.49Å; K149-W151 HydrophobicContact CD-CH2 3.86Å; K149-W151 HydrophobicContact CD-CZ2 4.09Å; K149-W151 HydrophobicContact CG-CH2 4.26Å; K149-W151 WeakPolarHBondContact O-CZ3 3.14Å; K149-P157 HydrophobicContact CB-CB 4.23Å; K149-F158 WeakPolarHBondContact CA-O 3.33Å
150T97.6Very high95.6Very high25 Ų2563.3 Ų63.315%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-129118.3-179.5-59.20000110.1V124 N125 I152 P157 F158V124-T150 HydrophobicContact CG1-CG2 3.52Å; N125-T150 CarbonylContact O-C 3.58Å; N125-T150 WeakPolarHBondContact O-CA 3.31Å; T150-I152 HydrophobicContact CG2-CG1 4.44Å; T150-P157 CarbonylContact O-C 3.55Å; T150-P157 VanDerWaalsContact O-CA 3.24Å; T150-P157 WeakPolarHBondContact O-CA 3.38Å; T150-F158 PolarHBondContact N-O 3.45Å; T150-F158 PolarHBondContact O-N 3.23Å
151W97.4Very high95.7Very high69 Ų6968.1 Ų68.126%0.26134%0.342SS..EExtended strand (participates in β ladder)trans-99.3133.9173.2-61.4-101.9000108.9V124 N125 A127 K149 P157V124-W151 CarbonylContact C-O 3.58Å; V124-W151 VanDerWaalsContact CA-O 3.28Å; V124-W151 WeakPolarHBondContact CA-O 3.45Å; N125-W151 HydrophobicContact CB-CB 4.26Å; N125-W151 HydrophobicContact CB-CE3 4.49Å; N125-W151 PolarHBondContact N-O 3.46Å; N125-W151 PolarHBondContact O-N 3.38Å; A127-W151 HydrophobicContact CB-CH2 4.18Å; A127-W151 HydrophobicContact CB-CZ3 3.83Å; K149-W151 HydrophobicContact CB-CE3 4.28Å; K149-W151 HydrophobicContact CB-CH2 3.37Å; K149-W151 HydrophobicContact CB-CZ2 4.09Å; K149-W151 HydrophobicContact CB-CZ3 3.49Å; K149-W151 VanDerWaalsContact CB-CZ3 3.49Å; K149-W151 HydrophobicContact CD-CH2 3.86Å; K149-W151 HydrophobicContact CD-CZ2 4.09Å; K149-W151 HydrophobicContact CG-CH2 4.26Å; K149-W151 WeakPolarHBondContact O-CZ3 3.14Å; W151-P157 HydrophobicContact CD2-CB 3.86Å; W151-P157 HydrophobicContact CG-CB 4.09Å; W151-P157 HydrophobicContact CZ2-CB 3.98Å; W151-P157 HydrophobicContact CZ2-CG 4.08Å
152I94.9Very high95.8Very high68 Ų6866.1 Ų66.135%0.34934%0.336SS..EExtended strand (participates in β ladder)trans-117.2107.1174.4-57.2-177.3000106.5D122 V124 T150 D154 S155 F158D122-I152 HydrophobicContact CB-CG2 4.38Å; D122-I152 WeakPolarHBondContact O-CG2 3.4Å; V124-I152 HydrophobicContact CG2-CG1 4.47Å; T150-I152 HydrophobicContact CG2-CG1 4.44Å; I152-D154 PolarHBondContact O-N 3.01Å; I152-S155 VanDerWaalsContact O-CB 3.23Å; I152-S155 WeakPolarHBondContact O-CB 3.41Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 3.32Å; I152-F158 HydrophobicContact CD1-CD2 4.27Å; I152-F158 HydrophobicContact CD1-CE2 3.85Å; I152-F158 HydrophobicContact CG1-CD2 4.45Å; I152-F158 HydrophobicContact CG1-CE2 4.21Å
153G92.1Very high95.8Very high30 Ų3067.3 Ų67.331%0.30934%0.341SS..THydrogen-bonded Turntrans55-134.4-166.400000111.8N123 S155N123-G153 PolarHBondContact O-N 2.69Å; G153-S155 VanDerWaalsContact C-N 3.26Å; G153-S155 PolarHBondContact O-N 3.33Å
154D90.1Very high95.9Very high178 Ų17866.7 Ų66.795%0.95234%0.338SS*.THydrogen-bonded Turntrans-88.414.9-179-59.8-46.2000113.8I152I152-D154 PolarHBondContact O-N 3.01Å
155S92.2Very high95.9Very high65 Ų6568.1 Ų68.146%0.45535%0.345SS..SBendtrans-72.4157.6-178.5-56.40000112.3I152 G153I152-S155 VanDerWaalsContact O-CB 3.23Å; I152-S155 WeakPolarHBondContact O-CB 3.41Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 3.32Å; G153-S155 VanDerWaalsContact C-N 3.26Å; G153-S155 PolarHBondContact O-N 3.33Å
156K94.7Very high95.9Very high189 Ų18961.8 Ų61.882%0.82232%0.322SS*.PPolyproline II helixtrans-58.4145166.9-70.8-176.9-179.5177.10109.8F158K156-F158 PolarHBondContact O-N 2.83Å
157P95.3Very high95.9Very high44 Ų4463.8 Ų63.829%0.28633%0.331SS..PPolyproline II helixtrans-68.8133.8-178.324.5-30.7000111.8K149 T150 W151K149-P157 HydrophobicContact CB-CB 4.23Å; T150-P157 CarbonylContact O-C 3.55Å; T150-P157 VanDerWaalsContact O-CA 3.24Å; T150-P157 WeakPolarHBondContact O-CA 3.38Å; W151-P157 HydrophobicContact CD2-CB 3.86Å; W151-P157 HydrophobicContact CG-CB 4.09Å; W151-P157 HydrophobicContact CZ2-CB 3.98Å; W151-P157 HydrophobicContact CZ2-CG 4.08Å
158F96.1Very high95.8Very high119 Ų11962.2 Ų62.252%0.52232%0.322SS..EExtended strand (participates in β ladder)trans-67.2140.2158-58.5-77.8000108.4K149 T150 I152 K156K149-F158 WeakPolarHBondContact CA-O 3.33Å; T150-F158 PolarHBondContact N-O 3.45Å; T150-F158 PolarHBondContact O-N 3.23Å; I152-F158 HydrophobicContact CD1-CD2 4.27Å; I152-F158 HydrophobicContact CD1-CE2 3.85Å; I152-F158 HydrophobicContact CG1-CD2 4.45Å; I152-F158 HydrophobicContact CG1-CE2 4.21Å; K156-F158 PolarHBondContact O-N 2.83Å
159T97.2Very high95.5Very high83 Ų8365.5 Ų65.551%0.50934%0.335SS..EExtended strand (participates in β ladder)trans-127.8113.5-174.5-61.70000108.5V147 L148V147-T159 HydrophobicContact CG1-CG2 3.39Å; L148-T159 WeakPolarHBondContact O-CA 3.24Å
160D96Very high94.9Very high76 Ų7664 Ų6441%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-119.2138179-63.8-33.9000110.2V147 L148 K162V147-D160 CarbonylContact C-O 3.56Å; V147-D160 WeakPolarHBondContact CA-O 3.37Å; L148-D160 PolarHBondContact N-O 3.4Å; L148-D160 PolarHBondContact O-N 3.47Å; D160-K162 HydrophobicContact CB-CD 4.25Å; D160-K162 HydrophobicContact CB-CG 4.2Å
161I96Very high94.3Very high109 Ų10966.8 Ų66.856%0.55934%0.339SS*.EExtended strand (participates in β ladder)trans-81.6124.5166.5-59.7176.4000106.8R145R145-I161 HydrophobicContact CG-CG2 4.48Å
162K96.2Very high93.4Very high44 Ų4470.4 Ų70.419%0.19136%0.363CS..EExtended strand (participates in β ladder)trans-124.3142-176.9-63.4-64.5-168.6179.90110.5F128 R145 G146 L148 D160 Y164 E182F128-K162 HydrophobicContact CE2-CB 4.14Å; R145-K162 WeakPolarHBondContact CA-O 3.34Å; G146-K162 PolarHBondContact N-O 3.24Å; G146-K162 PolarHBondContact O-N 2.81Å; L148-K162 HydrophobicContact CB-CG 3.8Å; L148-K162 HydrophobicContact CD2-CG 4.27Å; D160-K162 HydrophobicContact CB-CD 4.25Å; D160-K162 HydrophobicContact CB-CG 4.2Å; K162-Y164 HydrophobicContact CB-CD2 4.24Å; K162-Y164 HydrophobicContact CB-CE2 3.46Å; K162-Y164 VanDerWaalsContact CB-CE2 3.46Å; K162-Y164 HydrophobicContact CG-CE2 4.25Å; K162-E182 WeakPolarHBondContact CD-OE1 3.22Å; K162-E182 WeakPolarHBondContact CE-OE1 3.35Å; K162-E182 IonicContact NZ-OE1 2.59Å; K162-E182 PolarHBondContact NZ-OE1 3.12Å; K162-E182 IonicContact NZ-OE2 2.7Å
163H97Very high92.6Very high25 Ų2568.7 Ų68.712%0.11636%0.363CS..EExtended strand (participates in β ladder)trans-123.2118.6173.4-171.8-168.1000109.3E143 E182 T183 D185E143-H163 WeakPolarHBondContact CB-NE2 3.36Å; E143-H163 WeakPolarHBondContact CG-NE2 3.32Å; E143-H163 IonicContact OE2-CE1 3.6Å; E143-H163 IonicContact OE2-NE2 3.73Å; H163-E182 CarbonylContact O-C 3.53Å; H163-E182 WeakPolarHBondContact O-CA 3.41Å; H163-T183 HydrophobicContact CB-CG2 3.83Å; H163-T183 VanDerWaalsContact CG-CG2 3.41Å; H163-T183 WeakPolarHBondContact ND1-CG2 3.5Å; H163-T183 PolarHBondContact O-N 3.01Å; H163-D185 IonicContact CE1-OD2 2.7Å; H163-D185 PolarHBondContact CE1-OD2 3.43Å; H163-D185 IonicContact ND1-OD2 3.32Å; H163-D185 PolarHBondContact ND1-OD2 3.47Å
164Y97.4Very high92.2Very high12 Ų1270.4 Ų70.45%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-111.9141.3-179.2-63.9-72.1000111.4I78 L82 F128 E143 I144 K162 F180 G181 E182I78-Y164 HydrophobicContact CD1-CD2 4.16Å; I78-Y164 HydrophobicContact CD1-CG 4.33Å; L82-Y164 HydrophobicContact CD1-CD2 4.04Å; L82-Y164 HydrophobicContact CD1-CE1 4.38Å; L82-Y164 HydrophobicContact CD1-CE2 3.32Å; F128-Y164 HydrophobicContact CD2-CE2 4.02Å; F128-Y164 AromaticContact CE2-CD2 3.91Å; F128-Y164 HydrophobicContact CE2-CD2 3.91Å; F128-Y164 AromaticContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CZ-CD2 4.05Å; F128-Y164 HydrophobicContact CZ-CE2 4.27Å; E143-Y164 CarbonylContact C-O 3.51Å; E143-Y164 WeakPolarHBondContact CA-O 3.25Å; I144-Y164 PolarHBondContact N-O 3.04Å; I144-Y164 PolarHBondContact O-N 2.96Å; K162-Y164 HydrophobicContact CB-CD2 4.24Å; K162-Y164 HydrophobicContact CB-CE2 3.46Å; K162-Y164 VanDerWaalsContact CB-CE2 3.46Å; K162-Y164 HydrophobicContact CG-CE2 4.25Å; Y164-F180 HydrophobicContact CD1-CD1 4.36Å; Y164-F180 AromaticContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CZ 4.31Å; Y164-F180 AromaticContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CG-CE1 4.2Å; Y164-G181 CarbonylContact C-O 3.58Å; Y164-G181 VanDerWaalsContact CA-O 3.26Å; Y164-G181 WeakPolarHBondContact CA-O 3.45Å; Y164-E182 HydrophobicContact CD1-CB 4.03Å; Y164-E182 HydrophobicContact CD1-CG 4.31Å; Y164-E182 HydrophobicContact CE1-CB 3.88Å; Y164-E182 HydrophobicContact CE1-CG 3.97Å
165I97.3Very high92.2Very high30 Ų3062.1 Ų62.115%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-113.4117.5170.4-55176.4000107.5R141 E143 I167 G181 T183R141-I165 HydrophobicContact CG-CG2 3.93Å; E143-I165 HydrophobicContact CG-CG1 3.96Å; I165-I167 HydrophobicContact CG2-CD1 4.14Å; I165-G181 PolarHBondContact N-O 3.49Å; I165-G181 PolarHBondContact O-N 3.49Å; I165-T183 HydrophobicContact CD1-CG2 3.84Å; I165-T183 HydrophobicContact CG1-CG2 3.85Å
166L97.3Very high92.3Very high0 Ų061.3 Ų61.30%031%0.31CS..EExtended strand (participates in β ladder)trans-106.1131.9172.6-81.367.6000109.2A74 F77 I78 R141 V142 L168 L177 N179 F180A74-L166 HydrophobicContact CB-CB 4.47Å; A74-L166 HydrophobicContact CB-CD2 3.94Å; F77-L166 HydrophobicContact CB-CD2 3.97Å; F77-L166 HydrophobicContact CD2-CD2 4.49Å; I78-L166 HydrophobicContact CD1-CD1 3.89Å; I78-L166 HydrophobicContact CG1-CD1 3.9Å; I78-L166 HydrophobicContact CG1-CD2 3.93Å; R141-L166 CarbonylContact C-O 3.55Å; R141-L166 WeakPolarHBondContact CA-O 3.37Å; V142-L166 PolarHBondContact N-O 2.86Å; V142-L166 PolarHBondContact O-N 3.4Å; L166-L168 HydrophobicContact CB-CD2 4.49Å; L166-L177 HydrophobicContact CB-CD1 4.25Å; L166-L177 HydrophobicContact CD2-CD1 4.05Å; L166-L177 HydrophobicContact CG-CD1 4Å; L166-N179 WeakPolarHBondContact CA-O 3.45Å; L166-F180 HydrophobicContact CD1-CD2 4Å; L166-F180 HydrophobicContact CD1-CE2 4.07Å; L166-F180 HydrophobicContact CD1-CG 4.3Å; L166-F180 HydrophobicContact CD1-CZ 4.41Å; L166-F180 HydrophobicContact CD2-CD2 4.05Å; L166-F180 HydrophobicContact CD2-CE2 4.19Å; L166-F180 HydrophobicContact CG-CD2 3.93Å; L166-F180 HydrophobicContact CG-CE2 4.34Å; L166-F180 HydrophobicContact CG-CG 4.39Å
167I96.4Very high92.3Very high42 Ų4252.7 Ų52.722%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-107.6117.8171.1-54.7-60.5000108.1R141 I165 D178 N179R141-I167 HydrophobicContact CB-CD1 3.74Å; R141-I167 HydrophobicContact CG-CD1 3.82Å; I165-I167 HydrophobicContact CG2-CD1 4.14Å; I167-D178 HydrophobicContact CB-CB 4.44Å; I167-D178 HydrophobicContact CG2-CB 4.23Å; I167-D178 WeakPolarHBondContact O-CB 3.15Å; I167-D178 PolarHBondContact O-N 3.31Å; I167-N179 HydrophobicContact CB-CB 3.83Å; I167-N179 HydrophobicContact CG1-CB 3.85Å; I167-N179 PolarHBondContact N-O 3.3Å; I167-N179 PolarHBondContact O-N 2.98Å
168L94.6Very high92.2Very high6 Ų653.7 Ų53.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-108.5129.6-179.8-54.2-171.4000109.2L70 M73 A74 F77 G140 V142 L166 T175 W176 L177L70-L168 HydrophobicContact CB-CD1 4.4Å; L70-L168 HydrophobicContact CD2-CB 3.98Å; L70-L168 HydrophobicContact CD2-CD1 3.87Å; M73-L168 HydrophobicContact CB-CD1 3.84Å; A74-L168 HydrophobicContact CB-CD1 4.27Å; F77-L168 HydrophobicContact CD2-CD2 3.73Å; F77-L168 HydrophobicContact CE2-CD2 3.62Å; G140-L168 WeakPolarHBondContact CA-O 3.46Å; G140-L168 PolarHBondContact O-N 3.49Å; V142-L168 HydrophobicContact CG2-CD1 4.3Å; L166-L168 HydrophobicContact CB-CD2 4.49Å; L168-T175 HydrophobicContact CB-CG2 4.25Å; L168-W176 CarbonylContact C-O 3.29Å; L168-W176 WeakPolarHBondContact CA-O 3.38Å; L168-L177 HydrophobicContact CD2-CB 4.43Å; L168-L177 HydrophobicContact CD2-CD1 3.75Å
169K91.6Very high92.1Very high87 Ų8752 Ų5238%0.37827%0.272SS..EExtended strand (participates in β ladder)trans-119.4127.5175.5-71.7-175.5-178.7155.70110R101 W176 D178R101-K169 VanDerWaalsContact NH2-CB 3.34Å; K169-W176 PolarHBondContact N-O 3.38Å; K169-W176 PolarHBondContact O-N 3.48Å; K169-D178 HydrophobicContact CD-CB 4.08Å; K169-D178 WeakPolarHBondContact CE-OD2 3.42Å; K169-D178 HydrophobicContact CG-CB 4.08Å; K169-D178 VanDerWaalsContact NZ-CG 3.29Å; K169-D178 IonicContact NZ-OD1 2.6Å; K169-D178 PolarHBondContact NZ-OD1 3.21Å; K169-D178 IonicContact NZ-OD2 3.3Å; K169-D178 PolarHBondContact NZ-OD2 3.38Å
170R86.3Confident92Very high44 Ų4450.6 Ų50.617%0.16626%0.259CS..EExtended strand (participates in β ladder)trans-103.5120.9178.1-171.1171.4175.967.73.5110S61 Q62 G173 V174 T175S61-R170 PolarHBondContact O-NE 2.9Å; S61-R170 PolarHBondContact O-NH2 2.93Å; Q62-R170 WeakPolarHBondContact O-CG 3.48Å; Q62-R170 PolarHBondContact O-NE 3.37Å; R170-G173 VanDerWaalsContact CZ-O 3.26Å; R170-G173 VanDerWaalsContact NH1-C 3.32Å; R170-G173 PolarHBondContact NH1-O 3.23Å; R170-G173 PolarHBondContact NH2-O 3.3Å; R170-G173 VanDerWaalsContact NH2-O 3.16Å; R170-V174 CarbonylContact C-O 3.46Å; R170-V174 VanDerWaalsContact CA-O 3.3Å; R170-V174 WeakPolarHBondContact CA-O 3.49Å; R170-T175 PolarHBondContact NH1-OG1 2.9Å; R170-T175 VanDerWaalsContact NH1-OG1 3.1Å
171E83.3Confident91.9Very high83 Ų8348 Ų4839%0.38825%0.25SC..EExtended strand (participates in β ladder)trans-138.3133.6178.1-74.6176.5-165.500109.1R101 G173 V174R101-E171 IonicContact CZ-OE1 3.39Å; R101-E171 IonicContact CZ-OE2 3.53Å; R101-E171 VanDerWaalsContact NH1-CD 3.26Å; R101-E171 IonicContact NH1-OE1 3.2Å; R101-E171 PolarHBondContact NH1-OE1 2.93Å; R101-E171 IonicContact NH1-OE2 2.72Å; R101-E171 PolarHBondContact NH1-OE2 2.85Å; R101-E171 IonicContact NH2-OE1 2.7Å; R101-E171 PolarHBondContact NH2-OE1 3.47Å; R101-E171 IonicContact NH2-OE2 3.45Å; R101-E171 PolarHBondContact NH2-OE2 3.29Å; E171-G173 PolarHBondContact O-N 3.47Å; E171-G173 VanDerWaalsContact O-N 3.11Å; E171-V174 PolarHBondContact N-O 3.23Å; E171-V174 PolarHBondContact O-N 3.01Å
172N79.6Confident91.8Very high144 Ų14447.4 Ų47.477%0.7725%0.245SC*.THydrogen-bonded Turntrans5235.8177.9-58.2-30.5000113.1V174N172-V174 PolarHBondContact O-N 2.93Å
173G77.3Confident91.5Very high33 Ų3347 Ų4734%0.3425%0.246SC..THydrogen-bonded Turntrans77.8-2.5-179.200000115.9Q62 R170 E171Q62-G173 PolarHBondContact O-N 2.96Å; R170-G173 VanDerWaalsContact CZ-O 3.26Å; R170-G173 VanDerWaalsContact NH1-C 3.32Å; R170-G173 PolarHBondContact NH1-O 3.23Å; R170-G173 PolarHBondContact NH2-O 3.3Å; R170-G173 VanDerWaalsContact NH2-O 3.16Å; E171-G173 PolarHBondContact O-N 3.47Å; E171-G173 VanDerWaalsContact O-N 3.11Å
174V84.6Confident90.7Very high65 Ų6552.6 Ų52.639%0.39428%0.277SS..EExtended strand (participates in β ladder)trans-100138174.9-1750000109.7R170 E171 N172 W176R170-V174 CarbonylContact C-O 3.46Å; R170-V174 VanDerWaalsContact CA-O 3.3Å; R170-V174 WeakPolarHBondContact CA-O 3.49Å; E171-V174 PolarHBondContact N-O 3.23Å; E171-V174 PolarHBondContact O-N 3.01Å; N172-V174 PolarHBondContact O-N 2.93Å; V174-W176 HydrophobicContact CB-CZ2 4.02Å; V174-W176 HydrophobicContact CG1-CD2 4.02Å; V174-W176 HydrophobicContact CG1-CE3 4.4Å; V174-W176 HydrophobicContact CG1-CH2 3.94Å; V174-W176 HydrophobicContact CG1-CZ2 3.51Å; V174-W176 HydrophobicContact CG1-CZ3 4.36Å
175T89.9Confident89.1Confident5 Ų555.4 Ų55.43%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-103.9117.5177.1-57.10000109.2Y69 M73 L168 R170Y69-T175 HydrophobicContact CE1-CG2 4.14Å; Y69-T175 VanDerWaalsContact CE1-OG1 3.26Å; Y69-T175 WeakPolarHBondContact CE1-OG1 3.11Å; Y69-T175 WeakPolarHBondContact OH-CB 3.36Å; Y69-T175 PolarHBondContact OH-OG1 3.42Å; M73-T175 HydrophobicContact CE-CG2 4.12Å; M73-T175 HydrophobicContact CG-CG2 4.45Å; L168-T175 HydrophobicContact CB-CG2 4.25Å; R170-T175 PolarHBondContact NH1-OG1 2.9Å; R170-T175 VanDerWaalsContact NH1-OG1 3.1Å
176W93.8Very high86.9Confident47 Ų4761.5 Ų61.518%0.17832%0.321CS..EExtended strand (participates in β ladder)trans-101.5139.1-179.7-55.6102.9000110.7Y99 I100 R101 L168 K169 V174 D178Y99-W176 CarbonylContact O-C 3.59Å; Y99-W176 WeakPolarHBondContact O-CA 3.33Å; I100-W176 WeakPolarHBondContact O-CZ3 3.49Å; R101-W176 HydrophobicContact CG-CB 3.83Å; R101-W176 HydrophobicContact CG-CD2 4.1Å; R101-W176 HydrophobicContact CG-CE3 4.4Å; R101-W176 HydrophobicContact CG-CG 3.85Å; L168-W176 CarbonylContact C-O 3.29Å; L168-W176 WeakPolarHBondContact CA-O 3.38Å; K169-W176 PolarHBondContact N-O 3.38Å; K169-W176 PolarHBondContact O-N 3.48Å; V174-W176 HydrophobicContact CB-CZ2 4.02Å; V174-W176 HydrophobicContact CG1-CD2 4.02Å; V174-W176 HydrophobicContact CG1-CE3 4.4Å; V174-W176 HydrophobicContact CG1-CH2 3.94Å; V174-W176 HydrophobicContact CG1-CZ2 3.51Å; V174-W176 HydrophobicContact CG1-CZ3 4.36Å; W176-D178 PolarHBondContact O-N 3.02Å
177L95.2Very high84.2Confident8 Ų870.9 Ų70.94%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-81.6105.1164.7176.164.6000108.3F77 L96 Y99 I100 L166 L168 N179 F180F77-L177 HydrophobicContact CB-CD2 4.27Å; F77-L177 HydrophobicContact CD2-CB 4Å; F77-L177 HydrophobicContact CD2-CD1 4.08Å; F77-L177 HydrophobicContact CD2-CD2 4.32Å; F77-L177 HydrophobicContact CD2-CG 4.37Å; F77-L177 HydrophobicContact CE2-CB 3.96Å; F77-L177 HydrophobicContact CG-CD2 4.35Å; L96-L177 HydrophobicContact CD1-CD2 3.82Å; Y99-L177 PolarHBondContact O-N 3.04Å; I100-L177 HydrophobicContact CD1-CB 4.01Å; I100-L177 HydrophobicContact CD1-CD2 3.87Å; I100-L177 HydrophobicContact CD1-CG 4.09Å; L166-L177 HydrophobicContact CB-CD1 4.25Å; L166-L177 HydrophobicContact CD2-CD1 4.05Å; L166-L177 HydrophobicContact CG-CD1 4Å; L168-L177 HydrophobicContact CD2-CB 4.43Å; L168-L177 HydrophobicContact CD2-CD1 3.75Å; L177-N179 VanDerWaalsContact CD1-O 3.27Å; L177-N179 WeakPolarHBondContact CD1-O 3.48Å; L177-F180 HydrophobicContact CD1-CB 4.44Å; L177-F180 HydrophobicContact CD2-CB 4.34Å; L177-F180 HydrophobicContact CD2-CD2 4.12Å
178D93.5Very high81.4Confident66 Ų6681 Ų8135%0.35340%0.404SS..EExtended strand (participates in β ladder)trans-88.6-35.6-175.9-162.375.2000111.7R101 I167 K169 W176R101-D178 IonicContact NE-OD1 3.03Å; R101-D178 PolarHBondContact NE-OD1 3.11Å; I167-D178 HydrophobicContact CB-CB 4.44Å; I167-D178 HydrophobicContact CG2-CB 4.23Å; I167-D178 WeakPolarHBondContact O-CB 3.15Å; I167-D178 PolarHBondContact O-N 3.31Å; K169-D178 HydrophobicContact CD-CB 4.08Å; K169-D178 WeakPolarHBondContact CE-OD2 3.42Å; K169-D178 HydrophobicContact CG-CB 4.08Å; K169-D178 VanDerWaalsContact NZ-CG 3.29Å; K169-D178 IonicContact NZ-OD1 2.6Å; K169-D178 PolarHBondContact NZ-OD1 3.21Å; K169-D178 IonicContact NZ-OD2 3.3Å; K169-D178 PolarHBondContact NZ-OD2 3.38Å; W176-D178 PolarHBondContact O-N 3.02Å
179N94Very high80.7Confident83 Ų8384.8 Ų84.844%0.44442%0.423SS..EExtended strand (participates in β ladder)trans-144.9139.9175.9-169.5-76.8000110.6L166 I167 L177 G181L166-N179 WeakPolarHBondContact CA-O 3.45Å; I167-N179 HydrophobicContact CB-CB 3.83Å; I167-N179 HydrophobicContact CG1-CB 3.85Å; I167-N179 PolarHBondContact N-O 3.3Å; I167-N179 PolarHBondContact O-N 2.98Å; L177-N179 VanDerWaalsContact CD1-O 3.27Å; L177-N179 WeakPolarHBondContact CD1-O 3.48Å; N179-G181 PolarHBondContact OD1-N 3.4Å
180F94.9Very high80.1Confident53 Ų5384.7 Ų84.723%0.23243%0.425CS..EExtended strand (participates in β ladder)trans-128.2101.7168.3-169.3-62.6000106.7I78 R81 L82 Y164 L166 L177I78-F180 HydrophobicContact CG1-CE2 3.82Å; I78-F180 HydrophobicContact CG1-CZ 3.94Å; R81-F180 HydrophobicContact CB-CE2 3.95Å; R81-F180 HydrophobicContact CB-CZ 4.13Å; R81-F180 HydrophobicContact CG-CE1 4.46Å; R81-F180 HydrophobicContact CG-CE2 4.06Å; R81-F180 HydrophobicContact CG-CZ 3.96Å; L82-F180 HydrophobicContact CD1-CZ 4.36Å; L82-F180 HydrophobicContact CG-CZ 4.34Å; Y164-F180 HydrophobicContact CD1-CD1 4.36Å; Y164-F180 AromaticContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CZ 4.31Å; Y164-F180 AromaticContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CG-CE1 4.2Å; L166-F180 HydrophobicContact CD1-CD2 4Å; L166-F180 HydrophobicContact CD1-CE2 4.07Å; L166-F180 HydrophobicContact CD1-CG 4.3Å; L166-F180 HydrophobicContact CD1-CZ 4.41Å; L166-F180 HydrophobicContact CD2-CD2 4.05Å; L166-F180 HydrophobicContact CD2-CE2 4.19Å; L166-F180 HydrophobicContact CG-CD2 3.93Å; L166-F180 HydrophobicContact CG-CE2 4.34Å; L166-F180 HydrophobicContact CG-CG 4.39Å; L177-F180 HydrophobicContact CD1-CB 4.44Å; L177-F180 HydrophobicContact CD2-CB 4.34Å; L177-F180 HydrophobicContact CD2-CD2 4.12Å
181G94.2Very high79.8Confident21 Ų2186.9 Ų86.922%0.21644%0.439CS..EExtended strand (participates in β ladder)trans-120.8148.5-177.600000111.8Y164 I165 N179Y164-G181 CarbonylContact C-O 3.58Å; Y164-G181 VanDerWaalsContact CA-O 3.26Å; Y164-G181 WeakPolarHBondContact CA-O 3.45Å; I165-G181 PolarHBondContact N-O 3.49Å; I165-G181 PolarHBondContact O-N 3.49Å; N179-G181 PolarHBondContact OD1-N 3.4Å
182E94Very high79.6Confident97 Ų9787.2 Ų87.245%0.45344%0.443SS..EExtended strand (participates in β ladder)trans-93144.5164.8-169.7170.8150.500108.8K162 H163 Y164K162-E182 WeakPolarHBondContact CD-OE1 3.22Å; K162-E182 WeakPolarHBondContact CE-OE1 3.35Å; K162-E182 IonicContact NZ-OE1 2.59Å; K162-E182 PolarHBondContact NZ-OE1 3.12Å; K162-E182 IonicContact NZ-OE2 2.7Å; H163-E182 CarbonylContact O-C 3.53Å; H163-E182 WeakPolarHBondContact O-CA 3.41Å; Y164-E182 HydrophobicContact CD1-CB 4.03Å; Y164-E182 HydrophobicContact CD1-CG 4.31Å; Y164-E182 HydrophobicContact CE1-CB 3.88Å; Y164-E182 HydrophobicContact CE1-CG 3.97Å
183T90.1Very high79.6Confident37 Ų3783.6 Ų83.623%0.22742%0.422CS..  trans-127.9138.5176.2-171.60000110.4H163 I165 D185H163-T183 HydrophobicContact CB-CG2 3.83Å; H163-T183 VanDerWaalsContact CG-CG2 3.41Å; H163-T183 WeakPolarHBondContact ND1-CG2 3.5Å; H163-T183 PolarHBondContact O-N 3.01Å; I165-T183 HydrophobicContact CD1-CG2 3.84Å; I165-T183 HydrophobicContact CG1-CG2 3.85Å; T183-D185 PolarHBondContact O-N 3.26Å
184D80.4Confident79.7Confident141 Ų14187 Ų8775%0.75443%0.428SS*.  trans-88.174.2176.1-67.6-33.7000110E186D184-E186 PolarHBondContact O-N 2.94Å
185D62.4Low79.4Confident72 Ų7288.6 Ų88.639%0.38543%0.43SS..  trans-87.324.2173.4-80.6-36000113.3H163 T183 K187H163-D185 IonicContact CE1-OD2 2.7Å; H163-D185 PolarHBondContact CE1-OD2 3.43Å; H163-D185 IonicContact ND1-OD2 3.32Å; H163-D185 PolarHBondContact ND1-OD2 3.47Å; T183-D185 PolarHBondContact O-N 3.26Å; D185-K187 PolarHBondContact O-N 3.36Å; D185-K187 VanDerWaalsContact O-N 3.14Å
186E51.5Low78.6Confident157 Ų15795 Ų9573%0.73446%0.461SS*.THydrogen-bonded Turntrans-725.9168.1-62.8-152.9161.800113.4D184D184-E186 PolarHBondContact O-N 2.94Å
187K41.4Very low77.3Confident198 Ų19899 Ų9986%0.86148%0.484SS*.THydrogen-bonded Turntrans-125.631-175.6-68-167.6179.5178.60116.4D185D185-K187 PolarHBondContact O-N 3.36Å; D185-K187 VanDerWaalsContact O-N 3.14Å
188K36.5Very low75.7Confident255 Ų255107.3 Ų107.3100%1.10952%0.524SS*.  trans-137.60165.5-70.2-171.6179.4178.40111.7

Retrieved 188 of 188 residues in 1489.6 ms (Link to these results)

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