A0A077ZLE2_TRITR Loading...

Small ribosomal subunit protein mS23

AlphaFold DB , UniProt , Accession A0A077ZLE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M44.1Very low79Confident235 Ų235103 Ų103100%1.15853%0.527SS*.  0102.20-70.2-71.7-105.200107.6E3M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.41Å
2C56.6Low80.2Confident85 Ų85101.9 Ų101.957%0.57452%0.522SS*.  trans-82.778.5179.7-151.20000108.3
3E72.6Confident81.3Confident136 Ų13696.8 Ų96.864%0.63649%0.494SS*.  trans-96.8135175.8-173.5-176.5-158.600109M1 R5M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.41Å; E3-R5 IonicContact OE2-NE 2.75Å; E3-R5 IonicContact OE2-NH2 3.62Å
4S77.6Confident82.2Confident40 Ų4093.3 Ų93.328%0.2848%0.482SS..  trans-86.6126.3169.5178.40000109.7R15S4-R15 PolarHBondContact O-NH1 3.42Å; S4-R15 WeakPolarHBondContact OG-CD 3.35Å; S4-R15 PolarHBondContact OG-NH1 3.46Å
5R84.2Confident82.9Confident203 Ų20390.3 Ų90.377%0.76646%0.462SS*.  trans-106.912176.4-64.9-175.4175.6-176.9-1.7114E3 E7E3-R5 IonicContact OE2-NE 2.75Å; E3-R5 IonicContact OE2-NH2 3.62Å; R5-E7 PolarHBondContact O-N 3.41Å
6V87Confident83.5Confident75 Ų7585.8 Ų85.846%0.45544%0.439SS..  trans-84.396.5-177.3-169.50000109.6V9 R15V6-V9 HydrophobicContact CG1-CB 3.78Å; V6-V9 HydrophobicContact CG1-CG2 3.53Å; V6-R15 WeakPolarHBondContact O-CD 3.42Å; V6-R15 PolarHBondContact O-NE 3.13Å; V6-R15 PolarHBondContact O-NH1 3.48Å
7E87Confident84.1Confident114 Ų11482.5 Ų82.553%0.53342%0.423SS..THydrogen-bonded Turntrans-74.5-26-175.575.8-70.2172.400113.7R5 Y48R5-E7 PolarHBondContact O-N 3.41Å; E7-Y48 WeakPolarHBondContact O-CB 3.39Å
8K89.7Confident84.7Confident121 Ų12179.9 Ų79.953%0.52642%0.42SS..THydrogen-bonded Turntrans-85.5-6.9-176-56.2-169.8-177.6-178.20114.8Y48K8-Y48 HydrophobicContact CB-CD1 3.88Å; K8-Y48 HydrophobicContact CB-CE1 4.23Å; K8-Y48 HydrophobicContact CB-CG 4.12Å; K8-Y48 HydrophobicContact CD-CD1 4.27Å; K8-Y48 HydrophobicContact CD-CE1 3.74Å; K8-Y48 WeakPolarHBondContact CE-OH 3.45Å; K8-Y48 HydrophobicContact CG-CD1 3.78Å; K8-Y48 HydrophobicContact CG-CD2 4.07Å; K8-Y48 HydrophobicContact CG-CE1 3.7Å; K8-Y48 HydrophobicContact CG-CE2 4Å; K8-Y48 HydrophobicContact CG-CG 3.97Å
9V88.1Confident85.1Confident94 Ų9477.4 Ų77.457%0.5741%0.406SS*.SBendtrans-116.1111.9-173.5179.40000109.8V6 R15V6-V9 HydrophobicContact CG1-CB 3.78Å; V6-V9 HydrophobicContact CG1-CG2 3.53Å; V9-R15 VanDerWaalsContact O-CD 3.27Å; V9-R15 WeakPolarHBondContact O-CD 3.48Å
10G88.7Confident85.6Confident28 Ų2874.9 Ų74.929%0.28939%0.393SS..SBendtrans64.3-160.5-18000000113.1
11S93.1Very high86Confident2 Ų280 Ų801%0.01441%0.412CS..  trans-104.7169.3171.974.70000110.4F13 S14 R15 E45S11-F13 PolarHBondContact O-N 3.11Å; S11-F13 PolarHBondContact OG-N 3.2Å; S11-S14 PolarHBondContact N-OG 3.46Å; S11-S14 PolarHBondContact O-N 3.47Å; S11-S14 PolarHBondContact O-OG 3.42Å; S11-S14 PolarHBondContact OG-N 3.27Å; S11-R15 WeakPolarHBondContact O-CB 3.42Å; S11-R15 VanDerWaalsContact O-CG 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.4Å; S11-R15 PolarHBondContact O-N 3.4Å; S11-R15 PolarHBondContact O-NE 3.26Å; S11-E45 WeakPolarHBondContact CB-OE1 3.39Å; S11-E45 PolarHBondContact OG-OE1 3.27Å
12I93.6Very high88.4Confident90 Ų9072.9 Ų72.946%0.46239%0.386SS..Hα-helixtrans-57.1-34.2170.157.8170.9000111.7L16 W33I12-L16 WeakPolarHBondContact O-CB 3.41Å; I12-L16 PolarHBondContact O-N 3.46Å; I12-W33 HydrophobicContact CD1-CH2 4.19Å; I12-W33 HydrophobicContact CD1-CZ2 4.3Å; I12-W33 HydrophobicContact CG1-CH2 4.23Å
13F94.8Very high90.1Very high36 Ų3671.8 Ų71.816%0.15839%0.389CS..Hα-helixtrans-74-45.8-178.5-178.6-110.1000111.5S11 R15 L16 N17 W33 Y34 Y37 A38S11-F13 PolarHBondContact O-N 3.11Å; S11-F13 PolarHBondContact OG-N 3.2Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 2.73Å; F13-L16 PolarHBondContact O-N 3.21Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.21Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.32Å; F13-N17 VanDerWaalsContact CZ-ND2 3.27Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.47Å; F13-N17 WeakPolarHBondContact O-CB 3.34Å; F13-N17 PolarHBondContact O-N 2.89Å; F13-N17 PolarHBondContact O-ND2 2.81Å; F13-W33 HydrophobicContact CB-CZ3 4.45Å; F13-W33 HydrophobicContact CD2-CZ3 4.02Å; F13-Y34 HydrophobicContact CD2-CD2 4.08Å; F13-Y34 HydrophobicContact CD2-CE2 4.18Å; F13-Y34 AromaticContact CE2-CD2 3.84Å; F13-Y34 HydrophobicContact CE2-CD2 3.84Å; F13-Y34 AromaticContact CE2-CE2 3.7Å; F13-Y34 HydrophobicContact CE2-CE2 3.7Å; F13-Y34 HydrophobicContact CE2-CG 4.49Å; F13-Y37 HydrophobicContact CB-CD1 3.85Å; F13-Y37 HydrophobicContact CB-CE1 3.52Å; F13-Y37 HydrophobicContact CB-CE2 4.48Å; F13-Y37 HydrophobicContact CB-CG 4.47Å; F13-Y37 AromaticContact CD1-CD1 3.74Å; F13-Y37 HydrophobicContact CD1-CD1 3.74Å; F13-Y37 AromaticContact CD1-CE1 3.44Å; F13-Y37 HydrophobicContact CD1-CE1 3.44Å; F13-Y37 VanDerWaalsContact CD1-CE1 3.44Å; F13-Y37 AromaticContact CD2-CD1 3.31Å; F13-Y37 HydrophobicContact CD2-CD1 3.31Å; F13-Y37 AromaticContact CD2-CE1 3.83Å; F13-Y37 HydrophobicContact CD2-CE1 3.83Å; F13-Y37 AromaticContact CD2-CG 3.98Å; F13-Y37 HydrophobicContact CD2-CG 3.98Å; F13-Y37 HydrophobicContact CE1-CD1 4.04Å; F13-Y37 HydrophobicContact CE1-CE1 4.02Å; F13-Y37 AromaticContact CE2-CD1 3.65Å; F13-Y37 HydrophobicContact CE2-CD1 3.65Å; F13-Y37 HydrophobicContact CE2-CE1 4.37Å; F13-Y37 HydrophobicContact CE2-CG 4.43Å; F13-Y37 AromaticContact CG-CD1 3.35Å; F13-Y37 HydrophobicContact CG-CD1 3.35Å; F13-Y37 AromaticContact CG-CE1 3.31Å; F13-Y37 HydrophobicContact CG-CE1 3.31Å; F13-Y37 HydrophobicContact CG-CG 4.25Å; F13-Y37 AromaticContact CZ-CD1 3.99Å; F13-Y37 HydrophobicContact CZ-CD1 3.99Å; F13-Y37 HydrophobicContact CZ-CE1 4.45Å; F13-A38 HydrophobicContact CE2-CB 4.13Å; F13-A38 HydrophobicContact CZ-CB 4.08Å
14S93.6Very high91.1Very high47 Ų4767.8 Ų67.833%0.32938%0.378SS..Hα-helixtrans-62.8-38.6177.377.10000111.5S11 G18S11-S14 PolarHBondContact N-OG 3.46Å; S11-S14 PolarHBondContact O-N 3.47Å; S11-S14 PolarHBondContact O-OG 3.42Å; S11-S14 PolarHBondContact OG-N 3.27Å; S14-G18 PolarHBondContact O-N 3.15Å
15R92.4Very high91.8Very high48 Ų4867.7 Ų67.718%0.18137%0.374CS..Hα-helixtrans-65.9-44.6176.4-71.7-173.1-66.4137.8-8.2112.1S4 V6 V9 S11 F13 G18 L19S4-R15 PolarHBondContact O-NH1 3.42Å; S4-R15 WeakPolarHBondContact OG-CD 3.35Å; S4-R15 PolarHBondContact OG-NH1 3.46Å; V6-R15 WeakPolarHBondContact O-CD 3.42Å; V6-R15 PolarHBondContact O-NE 3.13Å; V6-R15 PolarHBondContact O-NH1 3.48Å; V9-R15 VanDerWaalsContact O-CD 3.27Å; V9-R15 WeakPolarHBondContact O-CD 3.48Å; S11-R15 WeakPolarHBondContact O-CB 3.42Å; S11-R15 VanDerWaalsContact O-CG 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.4Å; S11-R15 PolarHBondContact O-N 3.4Å; S11-R15 PolarHBondContact O-NE 3.26Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 2.73Å; R15-G18 PolarHBondContact O-N 2.81Å; R15-L19 WeakPolarHBondContact O-CG 3.46Å; R15-L19 PolarHBondContact O-N 2.94Å
16L93.3Very high92.3Very high18 Ų1865.2 Ų65.29%0.09437%0.369CS..Hα-helixtrans-66.4-39.8178.7-154.8130.1000111.7I12 F13 G18 L19 I20 M25 R30 P31 W33 Y34I12-L16 WeakPolarHBondContact O-CB 3.41Å; I12-L16 PolarHBondContact O-N 3.46Å; F13-L16 PolarHBondContact O-N 3.21Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-I20 HydrophobicContact CD2-CD1 3.59Å; L16-I20 HydrophobicContact CD2-CG1 4.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.01Å; L16-M25 HydrophobicContact CD1-CE 4.36Å; L16-M25 HydrophobicContact CD1-SD 4.28Å; L16-M25 HydrophobicContact CD2-SD 3.96Å; L16-M25 HydrophobicContact CG-CE 4.47Å; L16-M25 HydrophobicContact CG-SD 3.93Å; L16-R30 HydrophobicContact CD2-CB 4.23Å; L16-P31 VanDerWaalsContact CD1-CD 3.45Å; L16-P31 HydrophobicContact CD1-CG 3.52Å; L16-W33 HydrophobicContact CD1-CH2 4.38Å; L16-W33 HydrophobicContact CD1-CZ2 3.97Å; L16-Y34 HydrophobicContact CD2-CD2 3.45Å; L16-Y34 VanDerWaalsContact CD2-CD2 3.45Å; L16-Y34 HydrophobicContact CD2-CE2 3.85Å; L16-Y34 HydrophobicContact CD2-CG 4.31Å
17N93.7Very high92.6Very high31 Ų3166.2 Ų66.217%0.16637%0.368CS..Hα-helixtrans-57.4-42.3170.5-84.7-38.7000112.7F13 I20 K21 Y34F13-N17 WeakPolarHBondContact CD1-ND2 3.21Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.32Å; F13-N17 VanDerWaalsContact CZ-ND2 3.27Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.47Å; F13-N17 WeakPolarHBondContact O-CB 3.34Å; F13-N17 PolarHBondContact O-N 2.89Å; F13-N17 PolarHBondContact O-ND2 2.81Å; N17-I20 PolarHBondContact O-N 3.32Å; N17-K21 WeakPolarHBondContact O-CB 3.4Å; N17-K21 VanDerWaalsContact O-CG 3.29Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 PolarHBondContact O-N 3.47Å; N17-Y34 VanDerWaalsContact OD1-CE2 3.31Å; N17-Y34 WeakPolarHBondContact OD1-CE2 3.4Å; N17-Y34 PolarHBondContact OD1-OH 3.28Å
18G93.6Very high93Very high36 Ų3664.8 Ų64.837%0.37138%0.376SS..Hα-helixtrans-63.2-42175.400000112.9S14 R15 L16 K21 S22S14-G18 PolarHBondContact O-N 3.15Å; R15-G18 PolarHBondContact O-N 2.81Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 2.88Å; G18-K21 PolarHBondContact O-N 3.11Å; G18-S22 WeakPolarHBondContact O-CB 3.35Å; G18-S22 PolarHBondContact O-N 3.15Å; G18-S22 PolarHBondContact O-OG 3.06Å
19L93.4Very high93.2Very high31 Ų3164 Ų6416%0.16238%0.378CS..Hα-helixtrans-63.1-41.4175.5-70.3172.8000112R15 L16 S22 G23 A24 M25R15-L19 WeakPolarHBondContact O-CG 3.46Å; R15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.28Å; L19-S22 PolarHBondContact O-OG 3.1Å; L19-S22 VanDerWaalsContact O-OG 3.11Å; L19-G23 PolarHBondContact O-N 3.14Å; L19-A24 HydrophobicContact CD2-CB 3.96Å; L19-A24 PolarHBondContact O-N 2.93Å; L19-M25 HydrophobicContact CB-CB 3.97Å; L19-M25 HydrophobicContact CD1-CE 4.34Å; L19-M25 PolarHBondContact O-N 3.4Å
20I94.2Very high93.5Very high28 Ų2862.9 Ų62.914%0.14436%0.363CS..Hα-helixtrans-66.2-48.4176.1-67.7172.5000110.8L16 N17 S22 G23 M25 H27 R30 Y34L16-I20 HydrophobicContact CD2-CD1 3.59Å; L16-I20 HydrophobicContact CD2-CG1 4.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.01Å; N17-I20 PolarHBondContact O-N 3.32Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.25Å; I20-G23 PolarHBondContact O-N 3.01Å; I20-G23 VanDerWaalsContact O-N 3.12Å; I20-M25 WeakPolarHBondContact CA-O 3.4Å; I20-M25 HydrophobicContact CG1-CB 4.3Å; I20-M25 HydrophobicContact CG1-CG 4.2Å; I20-M25 HydrophobicContact CG1-SD 4.14Å; I20-H27 HydrophobicContact CG2-CB 4.18Å; I20-R30 HydrophobicContact CD1-CB 4.07Å; I20-Y34 HydrophobicContact CD1-CE2 3.99Å
21K94.2Very high93.8Very high183 Ų18363.5 Ų63.580%0.79636%0.362SS*.Hα-helixtrans-64.7-33.8-177.8-75.8179.8179.1-176.60113.5N17 G18 G23N17-K21 WeakPolarHBondContact O-CB 3.4Å; N17-K21 VanDerWaalsContact O-CG 3.29Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 PolarHBondContact O-N 3.47Å; G18-K21 PolarHBondContact O-N 3.11Å; K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.25Å
22S94.4Very high93.9Very high85 Ų8570 Ų7059%0.59440%0.402SS*.THydrogen-bonded Turntrans-78.3-8.3176.6570000113.7G18 L19 I20 A24G18-S22 WeakPolarHBondContact O-CB 3.35Å; G18-S22 PolarHBondContact O-N 3.15Å; G18-S22 PolarHBondContact O-OG 3.06Å; L19-S22 PolarHBondContact O-OG 3.1Å; L19-S22 VanDerWaalsContact O-OG 3.11Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.25Å; S22-A24 PolarHBondContact O-N 3.48Å
23G93.3Very high94.1Very high62 Ų6270.2 Ų70.264%0.63940%0.397SS*.THydrogen-bonded Turntrans77.92.3-174.400000114.4L19 I20 K21 M25L19-G23 PolarHBondContact O-N 3.14Å; I20-G23 PolarHBondContact O-N 3.01Å; I20-G23 VanDerWaalsContact O-N 3.12Å; K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.25Å; G23-M25 PolarHBondContact O-N 3.47Å
24A93.1Very high94.2Very high51 Ų5169.7 Ų69.742%0.42139%0.394SS..SBendtrans-67.9-21.2175.400000112.9L19 S22L19-A24 HydrophobicContact CD2-CB 3.96Å; L19-A24 PolarHBondContact O-N 2.93Å; S22-A24 PolarHBondContact O-N 3.48Å
25M92.4Very high94.3Very high39 Ų3971 Ų7119%0.19240%0.397CS..SBendtrans-132.4134.4172.3178.3179.3-74.100109.2L16 L19 I20 G23 D29L16-M25 HydrophobicContact CD1-CE 4.36Å; L16-M25 HydrophobicContact CD1-SD 4.28Å; L16-M25 HydrophobicContact CD2-SD 3.96Å; L16-M25 HydrophobicContact CG-CE 4.47Å; L16-M25 HydrophobicContact CG-SD 3.93Å; L19-M25 HydrophobicContact CB-CB 3.97Å; L19-M25 HydrophobicContact CD1-CE 4.34Å; L19-M25 PolarHBondContact O-N 3.4Å; I20-M25 WeakPolarHBondContact CA-O 3.4Å; I20-M25 HydrophobicContact CG1-CB 4.3Å; I20-M25 HydrophobicContact CG1-CG 4.2Å; I20-M25 HydrophobicContact CG1-SD 4.14Å; G23-M25 PolarHBondContact O-N 3.47Å; M25-D29 HydrophobicContact CG-CB 4.37Å
26K94.5Very high94.6Very high151 Ų15173.1 Ų73.166%0.65742%0.415SS*.  trans-74142.9171.9-59.1176.8-179.3174.60109A28 D29K26-A28 PolarHBondContact O-N 3.01Å; K26-A28 VanDerWaalsContact O-N 3.14Å; K26-D29 WeakPolarHBondContact CB-OD2 2.97Å; K26-D29 WeakPolarHBondContact O-CB 3.33Å; K26-D29 PolarHBondContact O-N 3.45Å
27H93.9Very high94.7Very high95 Ų9574 Ų7444%0.4442%0.417SS..G310 helixtrans-57.7-29.8175.3-172.1-88.4000112.7I20 D29 R30I20-H27 HydrophobicContact CG2-CB 4.18Å; H27-D29 PolarHBondContact O-N 2.9Å; H27-R30 PolarHBondContact CE1-NE 3.05Å; H27-R30 PolarHBondContact CE1-NH1 3.15Å; H27-R30 VanDerWaalsContact CE1-NH1 3.28Å; H27-R30 PolarHBondContact ND1-NH1 2.93Å; H27-R30 VanDerWaalsContact ND1-NH1 3.11Å; H27-R30 WeakPolarHBondContact O-CB 3.41Å; H27-R30 VanDerWaalsContact O-CD 3.23Å; H27-R30 WeakPolarHBondContact O-CD 3.3Å; H27-R30 WeakPolarHBondContact O-CG 3.16Å; H27-R30 PolarHBondContact O-N 3.21Å; H27-R30 PolarHBondContact O-NH1 2.96Å
28A95.1Very high94.9Very high84 Ų8474.9 Ų74.969%0.69443%0.429SS*.G310 helixtrans-65.7-24.2174.700000113.5K26 R30K26-A28 PolarHBondContact O-N 3.01Å; K26-A28 VanDerWaalsContact O-N 3.14Å; A28-R30 VanDerWaalsContact C-N 3.33Å
29D94.6Very high95.1Very high106 Ų10676.3 Ų76.357%0.56744%0.437SS*.G310 helixtrans-93.87.8-178.6-55.9-31.4000112.2M25 K26 H27M25-D29 HydrophobicContact CG-CB 4.37Å; K26-D29 WeakPolarHBondContact CB-OD2 2.97Å; K26-D29 WeakPolarHBondContact O-CB 3.33Å; K26-D29 PolarHBondContact O-N 3.45Å; H27-D29 PolarHBondContact O-N 2.9Å
30R94.1Very high95.3Very high70 Ų7082.7 Ų82.726%0.26446%0.464SS..  trans-63.1145.8178.673.6-166.4-178-75.5-4.1110.6L16 I20 H27 A28 Y34 D35L16-R30 HydrophobicContact CD2-CB 4.23Å; I20-R30 HydrophobicContact CD1-CB 4.07Å; H27-R30 PolarHBondContact CE1-NE 3.05Å; H27-R30 PolarHBondContact CE1-NH1 3.15Å; H27-R30 VanDerWaalsContact CE1-NH1 3.28Å; H27-R30 PolarHBondContact ND1-NH1 2.93Å; H27-R30 VanDerWaalsContact ND1-NH1 3.11Å; H27-R30 WeakPolarHBondContact O-CB 3.41Å; H27-R30 VanDerWaalsContact O-CD 3.23Å; H27-R30 WeakPolarHBondContact O-CD 3.3Å; H27-R30 WeakPolarHBondContact O-CG 3.16Å; H27-R30 PolarHBondContact O-N 3.21Å; H27-R30 PolarHBondContact O-NH1 2.96Å; A28-R30 VanDerWaalsContact C-N 3.33Å; R30-Y34 HydrophobicContact CB-CG 4.26Å; R30-Y34 VanDerWaalsContact CD-CD1 3.43Å; R30-Y34 HydrophobicContact CG-CD1 4.23Å; R30-Y34 HydrophobicContact CG-CG 4.34Å; R30-D35 IonicContact CZ-OD1 3.41Å; R30-D35 IonicContact CZ-OD2 3.31Å; R30-D35 IonicContact NE-OD1 2.76Å; R30-D35 PolarHBondContact NE-OD1 3.27Å; R30-D35 IonicContact NE-OD2 3.89Å; R30-D35 PolarHBondContact NE-OD2 2.95Å; R30-D35 IonicContact NH2-OD1 3.22Å; R30-D35 PolarHBondContact NH2-OD1 3.48Å; R30-D35 IonicContact NH2-OD2 3.61Å; R30-D35 PolarHBondContact NH2-OD2 3.43Å
31P94.9Very high95.4Very high40 Ų4085.3 Ų85.326%0.2648%0.483SS..  trans-61.4152.7176.8-23.734.6000112.5L16 W33 Y34L16-P31 VanDerWaalsContact CD1-CD 3.45Å; L16-P31 HydrophobicContact CD1-CG 3.52Å; P31-W33 VanDerWaalsContact CB-CD1 3.48Å; P31-W33 HydrophobicContact CB-CD2 4.31Å; P31-W33 HydrophobicContact CB-CG 4.13Å; P31-W33 HydrophobicContact CB-CZ2 4.43Å; P31-W33 HydrophobicContact CG-CZ2 4.16Å; P31-W33 PolarHBondContact O-N 2.85Å; P31-W33 VanDerWaalsContact O-N 3.13Å; P31-Y34 VanDerWaalsContact O-CB 3.23Å; P31-Y34 WeakPolarHBondContact O-CB 3.09Å; P31-Y34 PolarHBondContact O-N 3.29Å
32V95.6Very high95.5Very high139 Ų13979.5 Ų79.584%0.84246%0.464SS*.THydrogen-bonded Turntrans-55.1-34.8178.7-178.80000112.5Y34V32-Y34 VanDerWaalsContact C-N 3.26Å; V32-Y34 PolarHBondContact O-N 3.21Å
33W96.5Very high95.4Very high95 Ų9583.9 Ų83.936%0.3647%0.472SS..Hα-helixtrans-71-17.9179.764.2-104.2000113.9I12 F13 L16 P31 D35 V36 Y37I12-W33 HydrophobicContact CD1-CH2 4.19Å; I12-W33 HydrophobicContact CD1-CZ2 4.3Å; I12-W33 HydrophobicContact CG1-CH2 4.23Å; F13-W33 HydrophobicContact CB-CZ3 4.45Å; F13-W33 HydrophobicContact CD2-CZ3 4.02Å; L16-W33 HydrophobicContact CD1-CH2 4.38Å; L16-W33 HydrophobicContact CD1-CZ2 3.97Å; P31-W33 VanDerWaalsContact CB-CD1 3.48Å; P31-W33 HydrophobicContact CB-CD2 4.31Å; P31-W33 HydrophobicContact CB-CG 4.13Å; P31-W33 HydrophobicContact CB-CZ2 4.43Å; P31-W33 HydrophobicContact CG-CZ2 4.16Å; P31-W33 PolarHBondContact O-N 2.85Å; P31-W33 VanDerWaalsContact O-N 3.13Å; W33-D35 PolarHBondContact O-N 3Å; W33-V36 PolarHBondContact O-N 3.14Å; W33-Y37 HydrophobicContact CZ3-CG 4.32Å; W33-Y37 PolarHBondContact O-N 3.41Å
34Y96.7Very high95.3Very high25 Ų2587.7 Ų87.710%0.09847%0.468CS..Hα-helixtrans-61.6-46-172.6175.6-84000111.9F13 L16 N17 I20 R30 P31 V32 V36 Y37 A38F13-Y34 HydrophobicContact CD2-CD2 4.08Å; F13-Y34 HydrophobicContact CD2-CE2 4.18Å; F13-Y34 AromaticContact CE2-CD2 3.84Å; F13-Y34 HydrophobicContact CE2-CD2 3.84Å; F13-Y34 AromaticContact CE2-CE2 3.7Å; F13-Y34 HydrophobicContact CE2-CE2 3.7Å; F13-Y34 HydrophobicContact CE2-CG 4.49Å; L16-Y34 HydrophobicContact CD2-CD2 3.45Å; L16-Y34 VanDerWaalsContact CD2-CD2 3.45Å; L16-Y34 HydrophobicContact CD2-CE2 3.85Å; L16-Y34 HydrophobicContact CD2-CG 4.31Å; N17-Y34 VanDerWaalsContact OD1-CE2 3.31Å; N17-Y34 WeakPolarHBondContact OD1-CE2 3.4Å; N17-Y34 PolarHBondContact OD1-OH 3.28Å; I20-Y34 HydrophobicContact CD1-CE2 3.99Å; R30-Y34 HydrophobicContact CB-CG 4.26Å; R30-Y34 VanDerWaalsContact CD-CD1 3.43Å; R30-Y34 HydrophobicContact CG-CD1 4.23Å; R30-Y34 HydrophobicContact CG-CG 4.34Å; P31-Y34 VanDerWaalsContact O-CB 3.23Å; P31-Y34 WeakPolarHBondContact O-CB 3.09Å; P31-Y34 PolarHBondContact O-N 3.29Å; V32-Y34 VanDerWaalsContact C-N 3.26Å; V32-Y34 PolarHBondContact O-N 3.21Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 3.29Å; Y34-Y37 PolarHBondContact O-N 2.86Å; Y34-A38 HydrophobicContact CE1-CB 4.47Å; Y34-A38 VanDerWaalsContact O-CB 3.32Å; Y34-A38 WeakPolarHBondContact O-CB 3.43Å; Y34-A38 PolarHBondContact O-N 3.43Å
35D96.4Very high95.2Very high75 Ų7588.3 Ų88.340%0.40146%0.463SS..Hα-helixtrans-66.3-35.8-179-66.1-30000111.3R30 W33 A38 A39R30-D35 IonicContact CZ-OD1 3.41Å; R30-D35 IonicContact CZ-OD2 3.31Å; R30-D35 IonicContact NE-OD1 2.76Å; R30-D35 PolarHBondContact NE-OD1 3.27Å; R30-D35 IonicContact NE-OD2 3.89Å; R30-D35 PolarHBondContact NE-OD2 2.95Å; R30-D35 IonicContact NH2-OD1 3.22Å; R30-D35 PolarHBondContact NH2-OD1 3.48Å; R30-D35 IonicContact NH2-OD2 3.61Å; R30-D35 PolarHBondContact NH2-OD2 3.43Å; W33-D35 PolarHBondContact O-N 3Å; D35-A38 PolarHBondContact O-N 3.03Å; D35-A39 VanDerWaalsContact O-CB 3.26Å; D35-A39 WeakPolarHBondContact O-CB 3.49Å; D35-A39 PolarHBondContact O-N 2.83Å
36V97.5Very high95.1Very high91 Ų9189.8 Ų89.855%0.55248%0.475SS*.Hα-helixtrans-64.8-46.8175.1-177.90000110.6W33 Y34 A39 F40W33-V36 PolarHBondContact O-N 3.14Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 3.29Å; V36-A39 PolarHBondContact O-N 2.82Å; V36-F40 HydrophobicContact CG1-CD2 4.5Å; V36-F40 PolarHBondContact O-N 3.47Å
37Y97.4Very high94.9Very high36 Ų3685.9 Ų85.914%0.14146%0.459CS..Hα-helixtrans-66.3-39.2178.4-168.8-74.1000111.9F13 W33 Y34 F40 P41 P42 P46F13-Y37 HydrophobicContact CB-CD1 3.85Å; F13-Y37 HydrophobicContact CB-CE1 3.52Å; F13-Y37 HydrophobicContact CB-CE2 4.48Å; F13-Y37 HydrophobicContact CB-CG 4.47Å; F13-Y37 AromaticContact CD1-CD1 3.74Å; F13-Y37 HydrophobicContact CD1-CD1 3.74Å; F13-Y37 AromaticContact CD1-CE1 3.44Å; F13-Y37 HydrophobicContact CD1-CE1 3.44Å; F13-Y37 VanDerWaalsContact CD1-CE1 3.44Å; F13-Y37 AromaticContact CD2-CD1 3.31Å; F13-Y37 HydrophobicContact CD2-CD1 3.31Å; F13-Y37 AromaticContact CD2-CE1 3.83Å; F13-Y37 HydrophobicContact CD2-CE1 3.83Å; F13-Y37 AromaticContact CD2-CG 3.98Å; F13-Y37 HydrophobicContact CD2-CG 3.98Å; F13-Y37 HydrophobicContact CE1-CD1 4.04Å; F13-Y37 HydrophobicContact CE1-CE1 4.02Å; F13-Y37 AromaticContact CE2-CD1 3.65Å; F13-Y37 HydrophobicContact CE2-CD1 3.65Å; F13-Y37 HydrophobicContact CE2-CE1 4.37Å; F13-Y37 HydrophobicContact CE2-CG 4.43Å; F13-Y37 AromaticContact CG-CD1 3.35Å; F13-Y37 HydrophobicContact CG-CD1 3.35Å; F13-Y37 AromaticContact CG-CE1 3.31Å; F13-Y37 HydrophobicContact CG-CE1 3.31Å; F13-Y37 HydrophobicContact CG-CG 4.25Å; F13-Y37 AromaticContact CZ-CD1 3.99Å; F13-Y37 HydrophobicContact CZ-CD1 3.99Å; F13-Y37 HydrophobicContact CZ-CE1 4.45Å; W33-Y37 HydrophobicContact CZ3-CG 4.32Å; W33-Y37 PolarHBondContact O-N 3.41Å; Y34-Y37 PolarHBondContact O-N 2.86Å; Y37-F40 CarbonylContact O-C 3.59Å; Y37-P41 HydrophobicContact CE1-CB 4.49Å; Y37-P41 WeakPolarHBondContact O-CA 3.45Å; Y37-P42 VanDerWaalsContact CE2-CD 3.45Å; Y37-P42 HydrophobicContact CE2-CG 3.76Å; Y37-P42 WeakPolarHBondContact OH-CD 3.41Å; Y37-P42 VanDerWaalsContact OH-CG 3.31Å; Y37-P42 WeakPolarHBondContact OH-CG 3.26Å; Y37-P46 WeakPolarHBondContact OH-CD 3.46Å
38A96.5Very high94.7Very high51 Ų5188 Ų8842%0.42146%0.464SS..Hα-helixtrans-67.7-37.6178.500000112.2F13 Y34 D35F13-A38 HydrophobicContact CE2-CB 4.13Å; F13-A38 HydrophobicContact CZ-CB 4.08Å; Y34-A38 HydrophobicContact CE1-CB 4.47Å; Y34-A38 VanDerWaalsContact O-CB 3.32Å; Y34-A38 WeakPolarHBondContact O-CB 3.43Å; Y34-A38 PolarHBondContact O-N 3.43Å; D35-A38 PolarHBondContact O-N 3.03Å
39A97.9Very high94.4Very high65 Ų6590.1 Ų90.154%0.53746%0.464SS..Hα-helixtrans-75.6-38176.600000112.7D35 V36D35-A39 VanDerWaalsContact O-CB 3.26Å; D35-A39 WeakPolarHBondContact O-CB 3.49Å; D35-A39 PolarHBondContact O-N 2.83Å; V36-A39 PolarHBondContact O-N 2.82Å
40F97.6Very high93.9Very high165 Ų16590.1 Ų90.172%0.72446%0.456SS*.SBendtrans-129.468.5-175.7-51.3-72.7000110.9V36 Y37V36-F40 HydrophobicContact CG1-CD2 4.5Å; V36-F40 PolarHBondContact O-N 3.47Å; Y37-F40 CarbonylContact O-C 3.59Å
41P96.6Very high93.2Very high84 Ų8491.8 Ų91.855%0.54548%0.476SS..  trans-65146-178.627.2-34.5000110.5Y37Y37-P41 HydrophobicContact CE1-CB 4.49Å; Y37-P41 WeakPolarHBondContact O-CA 3.45Å
42P95.4Very high92.4Very high60 Ų6094.1 Ų94.139%0.3950%0.498SS..  trans-62.3151.6172.829.2-34.7000109.7Y37 Y44Y37-P42 VanDerWaalsContact CE2-CD 3.45Å; Y37-P42 HydrophobicContact CE2-CG 3.76Å; Y37-P42 WeakPolarHBondContact OH-CD 3.41Å; Y37-P42 VanDerWaalsContact OH-CG 3.31Å; Y37-P42 WeakPolarHBondContact OH-CG 3.26Å; P42-Y44 PolarHBondContact O-N 2.86Å
43K93.5Very high91.3Very high177 Ų17791.4 Ų91.477%0.7749%0.491SS*.SBendtrans-52.5-33.3175.1-176.2177.9-179-171.40112.6
44Y90.2Very high90Very high143 Ų14394.8 Ų94.856%0.56152%0.515SS*.SBendtrans-135111.4-171.1-65.7-59.2000109.6P42 R50P42-Y44 PolarHBondContact O-N 2.86Å; Y44-R50 VanDerWaalsContact C-NH1 3.35Å; Y44-R50 VanDerWaalsContact CB-NH2 3.26Å; Y44-R50 PolarHBondContact O-NH1 3.1Å
45E91.3Very high88.7Confident64 Ų6497.5 Ų97.530%0.29954%0.543SS..  trans-61.2132.6-176.4-172.9170.9-175.500112.5S11 H47 R50S11-E45 WeakPolarHBondContact CB-OE1 3.39Å; S11-E45 PolarHBondContact OG-OE1 3.27Å; E45-H47 VanDerWaalsContact C-N 3.27Å; E45-H47 VanDerWaalsContact CD-CE1 3.49Å; E45-H47 PolarHBondContact O-CD2 3.44Å; E45-H47 PolarHBondContact O-N 2.89Å; E45-H47 IonicContact OE1-CE1 2.92Å; E45-H47 IonicContact OE2-CE1 3.89Å; E45-H47 IonicContact OE2-NE2 3.62Å; E45-R50 VanDerWaalsContact N-NH2 3.17Å; E45-R50 PolarHBondContact O-NH1 2.88Å; E45-R50 VanDerWaalsContact O-NH1 3.12Å; E45-R50 PolarHBondContact O-NH2 2.67Å
46P90.6Very high87.4Confident70 Ų7096.8 Ų96.846%0.45554%0.542SS..  trans-77.773.5-170.232.4-36.5000112Y37Y37-P46 WeakPolarHBondContact OH-CD 3.46Å
47H90.5Very high86.3Confident68 Ų68100.2 Ų100.232%0.31556%0.557SS.*  trans-78.2143.3173.4-59.6-67.1000111.4E45 D49 R50E45-H47 VanDerWaalsContact C-N 3.27Å; E45-H47 VanDerWaalsContact CD-CE1 3.49Å; E45-H47 PolarHBondContact O-CD2 3.44Å; E45-H47 PolarHBondContact O-N 2.89Å; E45-H47 IonicContact OE1-CE1 2.92Å; E45-H47 IonicContact OE2-CE1 3.89Å; E45-H47 IonicContact OE2-NE2 3.62Å; H47-D49 VanDerWaalsContact C-N 3.29Å; H47-D49 WeakPolarHBondContact CB-OD1 3.28Å; H47-D49 PolarHBondContact O-N 3.4Å; H47-R50 WeakPolarHBondContact O-CB 3.32Å; H47-R50 PolarHBondContact O-N 2.96Å
48Y90.1Very high85.5Confident140 Ų140106.4 Ų106.455%0.54959%0.585SS.*THydrogen-bonded Turntrans-61.3-36.8176.1175.3-95.3000113E7 K8 R50E7-Y48 WeakPolarHBondContact O-CB 3.39Å; K8-Y48 HydrophobicContact CB-CD1 3.88Å; K8-Y48 HydrophobicContact CB-CE1 4.23Å; K8-Y48 HydrophobicContact CB-CG 4.12Å; K8-Y48 HydrophobicContact CD-CD1 4.27Å; K8-Y48 HydrophobicContact CD-CE1 3.74Å; K8-Y48 WeakPolarHBondContact CE-OH 3.45Å; K8-Y48 HydrophobicContact CG-CD1 3.78Å; K8-Y48 HydrophobicContact CG-CD2 4.07Å; K8-Y48 HydrophobicContact CG-CE1 3.7Å; K8-Y48 HydrophobicContact CG-CE2 4Å; K8-Y48 HydrophobicContact CG-CG 3.97Å; Y48-R50 VanDerWaalsContact C-N 3.3Å
49D88.1Confident85.1Confident128 Ų128114.6 Ų114.668%0.68461%0.605SS**THydrogen-bonded Turntrans-87.55.5-178.266.8-23.4000113.4H47 P51H47-D49 VanDerWaalsContact C-N 3.29Å; H47-D49 WeakPolarHBondContact CB-OD1 3.28Å; H47-D49 PolarHBondContact O-N 3.4Å; D49-P51 VanDerWaalsContact O-CD 3.29Å; D49-P51 WeakPolarHBondContact O-CD 3.37Å
50R84.1Confident84.8Confident106 Ų106119 Ų11940%0.462%0.615SS.*PPolyproline II helixtrans-58.1118.2173.5170.4171.1-74.5145.313.1108.2Y44 E45 H47 Y48 A52Y44-R50 VanDerWaalsContact C-NH1 3.35Å; Y44-R50 VanDerWaalsContact CB-NH2 3.26Å; Y44-R50 PolarHBondContact O-NH1 3.1Å; E45-R50 VanDerWaalsContact N-NH2 3.17Å; E45-R50 PolarHBondContact O-NH1 2.88Å; E45-R50 VanDerWaalsContact O-NH1 3.12Å; E45-R50 PolarHBondContact O-NH2 2.67Å; H47-R50 WeakPolarHBondContact O-CB 3.32Å; H47-R50 PolarHBondContact O-N 2.96Å; Y48-R50 VanDerWaalsContact C-N 3.3Å; R50-A52 PolarHBondContact O-N 2.92Å
51P80.2Confident84.6Confident106 Ų106117.3 Ų117.369%0.68861%0.612SS**PPolyproline II helixtrans-60.3138.7176.625.1-32.8000108.7D49 A53D49-P51 VanDerWaalsContact O-CD 3.29Å; D49-P51 WeakPolarHBondContact O-CD 3.37Å; P51-A53 PolarHBondContact O-N 3.37Å
52A76.8Confident84.4Confident89 Ų89119.6 Ų119.674%0.73661%0.613SS**PPolyproline II helixtrans-52135.2162.400000106.9R50 L54R50-A52 PolarHBondContact O-N 2.92Å; A52-L54 PolarHBondContact O-N 3.42Å
53A73.2Confident84.3Confident82 Ų82122.7 Ų122.768%0.67862%0.618SS**  trans-53.4108.4174.600000106.9P51 A55P51-A53 PolarHBondContact O-N 3.37Å; A53-A55 PolarHBondContact O-N 3.32Å
54L70.1Confident84.1Confident165 Ų165117.8 Ų117.886%0.86460%0.604SS**  trans-49.3121.1171.6-72167.9000104.8A52A52-L54 PolarHBondContact O-N 3.42Å
55A68.4Low84.2Confident83 Ų83113.1 Ų113.169%0.68659%0.588SS**  trans-30108.4-164.500000109.5A53 N57A53-A55 PolarHBondContact O-N 3.32Å; A55-N57 PolarHBondContact O-N 2.92Å
56P70Confident84.4Confident59 Ų59112.4 Ų112.438%0.38359%0.586SS.*  trans-47.8142.1-177.3-26.429.2000108F58P56-F58 HydrophobicContact CB-CD1 4Å; P56-F58 HydrophobicContact CB-CD2 4.16Å; P56-F58 HydrophobicContact CB-CE1 3.72Å; P56-F58 HydrophobicContact CB-CE2 3.92Å; P56-F58 HydrophobicContact CB-CG 4.21Å; P56-F58 HydrophobicContact CB-CZ 3.7Å; P56-F58 VanDerWaalsContact CD-CE2 3.44Å; P56-F58 HydrophobicContact CG-CE1 3.78Å; P56-F58 HydrophobicContact CG-CE2 3.79Å; P56-F58 HydrophobicContact CG-CZ 3.36Å; P56-F58 WeakPolarHBondContact O-CD2 3.19Å; P56-F58 WeakPolarHBondContact O-CG 3.3Å; P56-F58 PolarHBondContact O-N 3.35Å
57N73.8Confident84.4Confident163 Ų163115.6 Ų115.687%0.87259%0.593SS**  trans-63.375.8168.5-75-25.5000107.8A55 R59A55-N57 PolarHBondContact O-N 2.92Å; N57-R59 PolarHBondContact O-N 2.83Å
58F79.7Confident84.5Confident167 Ų167112.5 Ų112.573%0.73258%0.579SS**  trans-67.9104.9177.4-64.7-68.5000105.1P56P56-F58 HydrophobicContact CB-CD1 4Å; P56-F58 HydrophobicContact CB-CD2 4.16Å; P56-F58 HydrophobicContact CB-CE1 3.72Å; P56-F58 HydrophobicContact CB-CE2 3.92Å; P56-F58 HydrophobicContact CB-CG 4.21Å; P56-F58 HydrophobicContact CB-CZ 3.7Å; P56-F58 VanDerWaalsContact CD-CE2 3.44Å; P56-F58 HydrophobicContact CG-CE1 3.78Å; P56-F58 HydrophobicContact CG-CE2 3.79Å; P56-F58 HydrophobicContact CG-CZ 3.36Å; P56-F58 WeakPolarHBondContact O-CD2 3.19Å; P56-F58 WeakPolarHBondContact O-CG 3.3Å; P56-F58 PolarHBondContact O-N 3.35Å
59R88.3Confident84.6Confident222 Ų222108.2 Ų108.284%0.83856%0.561SS**  trans-73.7136.1171.1-62.5-178.2-177.6-177.2-0.2107.2N57 I61N57-R59 PolarHBondContact O-N 2.83Å; R59-I61 PolarHBondContact O-N 3.35Å
60E91.9Very high84.9Confident158 Ų158104.1 Ų104.174%0.73855%0.55SS*.  trans-58.9135.9167.7-62.3-179.6139.300108.7F62E60-F62 HydrophobicContact CB-CD2 3.86Å; E60-F62 HydrophobicContact CB-CE2 3.44Å; E60-F62 VanDerWaalsContact CB-CE2 3.44Å; E60-F62 HydrophobicContact CB-CZ 4.29Å; E60-F62 HydrophobicContact CG-CE2 4.27Å; E60-F62 WeakPolarHBondContact OE2-CE2 3.36Å
61I93.1Very high85.3Confident129 Ų129102.3 Ų102.366%0.66254%0.543SS*.  trans-95.6105.3179.9-56.8175.3000106.8R59 Y63R59-I61 PolarHBondContact O-N 3.35Å; I61-Y63 HydrophobicContact CG2-CD2 4.37Å; I61-Y63 HydrophobicContact CG2-CE1 4.39Å; I61-Y63 HydrophobicContact CG2-CE2 3.59Å
62F94.1Very high86Confident132 Ų13297.4 Ų97.458%0.57951%0.511SS*.  trans-118.7136.4171.9-69-74.6000109.7E60E60-F62 HydrophobicContact CB-CD2 3.86Å; E60-F62 HydrophobicContact CB-CE2 3.44Å; E60-F62 VanDerWaalsContact CB-CE2 3.44Å; E60-F62 HydrophobicContact CB-CZ 4.29Å; E60-F62 HydrophobicContact CG-CE2 4.27Å; E60-F62 WeakPolarHBondContact OE2-CE2 3.36Å
63Y93Very high86.8Confident126 Ų12697.1 Ų97.149%0.49449%0.493SS..  trans-105.8156.1172.9-58.7-79.9000111.1I61 E65 D66I61-Y63 HydrophobicContact CG2-CD2 4.37Å; I61-Y63 HydrophobicContact CG2-CE1 4.39Å; I61-Y63 HydrophobicContact CG2-CE2 3.59Å; Y63-E65 VanDerWaalsContact CB-OE1 3.27Å; Y63-E65 WeakPolarHBondContact CB-OE1 3.32Å; Y63-E65 WeakPolarHBondContact CB-OE2 3.49Å; Y63-E65 PolarHBondContact O-N 2.95Å; Y63-D66 PolarHBondContact N-OD2 3.26Å; Y63-D66 WeakPolarHBondContact O-CB 3.44Å; Y63-D66 PolarHBondContact O-N 2.97Å
64P89.8Confident87.8Confident74 Ų74100.7 Ų100.748%0.48149%0.493SS..Hα-helixtrans-53.6-36.1177.4-27.736.2000113.6D66 F67 F101P64-D66 VanDerWaalsContact C-N 3.28Å; P64-D66 PolarHBondContact O-N 3.07Å; P64-F67 WeakPolarHBondContact O-CD2 3.4Å; P64-F101 HydrophobicContact CB-CZ 4.43Å
65E92Very high88.8Confident45 Ų4594.9 Ų94.921%0.2146%0.462CS..Hα-helixtrans-68.2-22.8176.754.8-88.5-155.200114Y63 F67 V68 R69 V97 F101Y63-E65 VanDerWaalsContact CB-OE1 3.27Å; Y63-E65 WeakPolarHBondContact CB-OE1 3.32Å; Y63-E65 WeakPolarHBondContact CB-OE2 3.49Å; Y63-E65 PolarHBondContact O-N 2.95Å; E65-F67 PolarHBondContact O-N 2.95Å; E65-V68 CarbonylContact O-C 3.37Å; E65-V68 WeakPolarHBondContact O-CA 3.12Å; E65-V68 WeakPolarHBondContact O-CB 3.44Å; E65-V68 PolarHBondContact O-N 2.71Å; E65-R69 VanDerWaalsContact CG-CZ 3.41Å; E65-R69 WeakPolarHBondContact O-CG 3.45Å; E65-R69 PolarHBondContact O-N 2.79Å; E65-V97 HydrophobicContact CB-CG1 3.48Å; E65-V97 VanDerWaalsContact CB-CG1 3.48Å; E65-V97 HydrophobicContact CB-CG2 4.28Å; E65-V97 HydrophobicContact CG-CG1 4.46Å; E65-F101 HydrophobicContact CB-CE2 3.73Å; E65-F101 HydrophobicContact CB-CZ 3.81Å
66D93.7Very high90Very high48 Ų4891.1 Ų91.126%0.25743%0.43SS..Hα-helixtrans-66-28.5-178.9-65.6-27.5000111.5Y63 P64 R69 G70Y63-D66 PolarHBondContact N-OD2 3.26Å; Y63-D66 WeakPolarHBondContact O-CB 3.44Å; Y63-D66 PolarHBondContact O-N 2.97Å; P64-D66 VanDerWaalsContact C-N 3.28Å; P64-D66 PolarHBondContact O-N 3.07Å; D66-R69 IonicContact OD1-NH1 2.72Å; D66-R69 PolarHBondContact OD1-NH1 3.03Å; D66-G70 PolarHBondContact O-N 3.48Å
67F90.9Very high90.9Very high137 Ų13789 Ų8960%0.60142%0.418SS*.Hα-helixtrans-65.4-40.4171.3-62.8-77.7000111.6P64 E65 R71P64-F67 WeakPolarHBondContact O-CD2 3.4Å; E65-F67 PolarHBondContact O-N 2.95Å; F67-R71 PolarHBondContact O-N 2.9Å; F67-R71 VanDerWaalsContact O-N 3.14Å
68V92.2Very high91.3Very high3 Ų387 Ų872%0.01841%0.408CS..Hα-helixtrans-69.1-45.7176.5-175.30000110.4E65 G70 R71 F72 F96 V97 F100 F101 Y113E65-V68 CarbonylContact O-C 3.37Å; E65-V68 WeakPolarHBondContact O-CA 3.12Å; E65-V68 WeakPolarHBondContact O-CB 3.44Å; E65-V68 PolarHBondContact O-N 2.71Å; V68-G70 PolarHBondContact O-N 3.18Å; V68-R71 PolarHBondContact O-N 3.1Å; V68-F72 WeakPolarHBondContact O-CB 3.32Å; V68-F72 PolarHBondContact O-N 3.02Å; V68-F96 HydrophobicContact CG1-CD1 3.92Å; V68-F96 HydrophobicContact CG1-CE1 3.84Å; V68-V97 HydrophobicContact CB-CG2 4.23Å; V68-V97 HydrophobicContact CG1-CG2 4.08Å; V68-F100 HydrophobicContact CB-CD1 4.47Å; V68-F100 HydrophobicContact CG1-CB 4.06Å; V68-F100 HydrophobicContact CG1-CD1 3.99Å; V68-F100 HydrophobicContact CG1-CD2 4.13Å; V68-F100 HydrophobicContact CG1-CG 3.78Å; V68-F100 HydrophobicContact CG2-CD1 3.6Å; V68-F100 HydrophobicContact CG2-CE1 3.61Å; V68-F100 HydrophobicContact CG2-CG 4.25Å; V68-F100 HydrophobicContact CG2-CZ 4.25Å; V68-F101 HydrophobicContact CG2-CE1 4.29Å; V68-Y113 HydrophobicContact CG2-CE2 4.33Å
69R93.4Very high91.2Very high50 Ų5080.7 Ų80.719%0.18938%0.382CS..Hα-helixtrans-61.6-43175.8-67.2-173.6-170.5116.70.5111.6E65 D66 R71 F72 F73 E94 V97E65-R69 VanDerWaalsContact CG-CZ 3.41Å; E65-R69 WeakPolarHBondContact O-CG 3.45Å; E65-R69 PolarHBondContact O-N 2.79Å; D66-R69 IonicContact OD1-NH1 2.72Å; D66-R69 PolarHBondContact OD1-NH1 3.03Å; R69-R71 VanDerWaalsContact C-N 3.32Å; R69-R71 PolarHBondContact O-N 2.81Å; R69-F72 WeakPolarHBondContact O-CB 3.47Å; R69-F72 PolarHBondContact O-N 2.75Å; R69-F73 HydrophobicContact CB-CD2 4.28Å; R69-F73 HydrophobicContact CB-CE2 4.14Å; R69-F73 WeakPolarHBondContact O-CD2 3.44Å; R69-F73 PolarHBondContact O-N 2.89Å; R69-E94 IonicContact CZ-OE2 3.67Å; R69-E94 IonicContact NE-OE2 3.39Å; R69-E94 IonicContact NH2-OE1 3.07Å; R69-E94 IonicContact NH2-OE2 3.53Å; R69-E94 PolarHBondContact NH2-OE2 3.18Å; R69-V97 HydrophobicContact CG-CG2 3.53Å
70G93.9Very high90.7Very high43 Ų4372.6 Ų72.644%0.44337%0.367SS..Hα-helixtrans-59.3-42.3176.600000112.3D66 V68 K74D66-G70 PolarHBondContact O-N 3.48Å; V68-G70 PolarHBondContact O-N 3.18Å; G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 2.97Å; G70-K74 VanDerWaalsContact O-N 3.14Å
71R93Very high90.3Very high68 Ų6877.1 Ų77.126%0.25738%0.377SS..Hα-helixtrans-66.7-44.7173.3-177.460.4165.1173-10.9112.1F67 V68 R69 K74 E75 Y113 E114 F117F67-R71 PolarHBondContact O-N 2.9Å; F67-R71 VanDerWaalsContact O-N 3.14Å; V68-R71 PolarHBondContact O-N 3.1Å; R69-R71 VanDerWaalsContact C-N 3.32Å; R69-R71 PolarHBondContact O-N 2.81Å; R71-K74 PolarHBondContact O-N 3.28Å; R71-E75 PolarHBondContact O-N 3.24Å; R71-E75 VanDerWaalsContact O-N 3.11Å; R71-Y113 VanDerWaalsContact CB-OH 3.3Å; R71-Y113 WeakPolarHBondContact CB-OH 3.25Å; R71-Y113 HydrophobicContact CG-CE1 4.17Å; R71-E114 IonicContact CZ-OE1 3.82Å; R71-E114 IonicContact CZ-OE2 3.92Å; R71-E114 IonicContact NH2-OE1 3.15Å; R71-E114 PolarHBondContact NH2-OE1 2.99Å; R71-E114 VanDerWaalsContact NH2-OE1 3.15Å; R71-E114 IonicContact NH2-OE2 2.93Å; R71-E114 PolarHBondContact NH2-OE2 3.49Å; R71-F117 HydrophobicContact CB-CE2 4.11Å; R71-F117 HydrophobicContact CG-CD2 3.88Å; R71-F117 HydrophobicContact CG-CE2 3.5Å; R71-F117 VanDerWaalsContact CG-CE2 3.5Å; R71-F117 HydrophobicContact CG-CZ 3.86Å
72F94.3Very high90Very high2 Ų275.7 Ų75.71%0.00937%0.37CS..Hα-helixtrans-55.5-53.7176.5172.6-88.5000111.5V68 R69 K74 E75 F76 L92 F96 L131V68-F72 WeakPolarHBondContact O-CB 3.32Å; V68-F72 PolarHBondContact O-N 3.02Å; R69-F72 WeakPolarHBondContact O-CB 3.47Å; R69-F72 PolarHBondContact O-N 2.75Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 3.44Å; F72-E75 PolarHBondContact O-N 3.28Å; F72-E75 VanDerWaalsContact O-N 3.15Å; F72-F76 AromaticContact CD2-CD2 3.53Å; F72-F76 HydrophobicContact CD2-CD2 3.53Å; F72-F76 HydrophobicContact CD2-CE2 4.13Å; F72-F76 HydrophobicContact CD2-CG 4.48Å; F72-F76 HydrophobicContact CE2-CB 4.4Å; F72-F76 AromaticContact CE2-CD2 3.74Å; F72-F76 HydrophobicContact CE2-CD2 3.74Å; F72-F76 HydrophobicContact CE2-CE2 4.45Å; F72-F76 HydrophobicContact CE2-CG 4.35Å; F72-F76 HydrophobicContact CG-CD2 4.14Å; F72-F76 HydrophobicContact CZ-CB 4.35Å; F72-F76 HydrophobicContact CZ-CD2 4.49Å; F72-F76 WeakPolarHBondContact O-CB 3.48Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 PolarHBondContact O-N 2.96Å; F72-L92 HydrophobicContact CZ-CB 4.46Å; F72-F96 HydrophobicContact CB-CD1 4.42Å; F72-F96 HydrophobicContact CD2-CB 3.85Å; F72-F96 AromaticContact CD2-CD1 3.96Å; F72-F96 HydrophobicContact CD2-CD1 3.96Å; F72-F96 AromaticContact CD2-CD2 3.67Å; F72-F96 HydrophobicContact CD2-CD2 3.67Å; F72-F96 HydrophobicContact CD2-CE1 4.5Å; F72-F96 HydrophobicContact CD2-CE2 4.25Å; F72-F96 AromaticContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CE2-CB 3.96Å; F72-F96 AromaticContact CE2-CD2 3.94Å; F72-F96 HydrophobicContact CE2-CD2 3.94Å; F72-F96 AromaticContact CE2-CG 3.99Å; F72-F96 HydrophobicContact CE2-CG 3.99Å; F72-F96 HydrophobicContact CG-CG 4.47Å; F72-L131 HydrophobicContact CE2-CD2 3.98Å; F72-L131 HydrophobicContact CZ-CD2 4.36Å
73F93.7Very high89.7Confident83 Ų8373.7 Ų73.736%0.36437%0.365SS..Hα-helixtrans-66.9-28.4-178.7-72-60000112.7R69 G77R69-F73 HydrophobicContact CB-CD2 4.28Å; R69-F73 HydrophobicContact CB-CE2 4.14Å; R69-F73 WeakPolarHBondContact O-CD2 3.44Å; R69-F73 PolarHBondContact O-N 2.89Å; F73-G77 WeakPolarHBondContact CD1-O 3.42Å; F73-G77 WeakPolarHBondContact O-CA 3.46Å; F73-G77 PolarHBondContact O-N 3.48Å
74K93.6Very high89.7Confident157 Ų15775.1 Ų75.168%0.68338%0.381SS*.Hα-helixtrans-67.4-38.1173.1-175.3174.5179.6176.30112.6G70 R71 F72G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 2.97Å; G70-K74 VanDerWaalsContact O-N 3.14Å; R71-K74 PolarHBondContact O-N 3.28Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 3.44Å
75E92.8Very high89.8Confident44 Ų4479.4 Ų79.421%0.20640%0.399CS..Hα-helixtrans-86.4-41.5-175.9-167.668.6-172.100112.5R71 F72 K133 V134R71-E75 PolarHBondContact O-N 3.24Å; R71-E75 VanDerWaalsContact O-N 3.11Å; F72-E75 PolarHBondContact O-N 3.28Å; F72-E75 VanDerWaalsContact O-N 3.15Å; E75-K133 HydrophobicContact CG-CG 4.46Å; E75-K133 CarbonylContact O-C 3.59Å; E75-K133 WeakPolarHBondContact O-CA 3.44Å; E75-K133 WeakPolarHBondContact OE1-CD 3.35Å; E75-K133 WeakPolarHBondContact OE1-CE 3.29Å; E75-K133 IonicContact OE1-NZ 2.81Å; E75-K133 PolarHBondContact OE1-NZ 2.97Å; E75-V134 PolarHBondContact O-N 3.43Å
76F92.3Very high89.7Confident3 Ų380.4 Ų80.41%0.01341%0.408CS..Hα-helixtrans-109.8-18.3-169-63-59.3000114.1F72 I79 F96 F117 V121 L131 K133F72-F76 AromaticContact CD2-CD2 3.53Å; F72-F76 HydrophobicContact CD2-CD2 3.53Å; F72-F76 HydrophobicContact CD2-CE2 4.13Å; F72-F76 HydrophobicContact CD2-CG 4.48Å; F72-F76 HydrophobicContact CE2-CB 4.4Å; F72-F76 AromaticContact CE2-CD2 3.74Å; F72-F76 HydrophobicContact CE2-CD2 3.74Å; F72-F76 HydrophobicContact CE2-CE2 4.45Å; F72-F76 HydrophobicContact CE2-CG 4.35Å; F72-F76 HydrophobicContact CG-CD2 4.14Å; F72-F76 HydrophobicContact CZ-CB 4.35Å; F72-F76 HydrophobicContact CZ-CD2 4.49Å; F72-F76 WeakPolarHBondContact O-CB 3.48Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 PolarHBondContact O-N 2.96Å; F76-I79 HydrophobicContact CB-CD1 3.66Å; F76-I79 HydrophobicContact CB-CG1 4.25Å; F76-I79 HydrophobicContact CG-CD1 4.36Å; F76-I79 WeakPolarHBondContact O-CG1 3.35Å; F76-F96 HydrophobicContact CE2-CE2 4.24Å; F76-F117 HydrophobicContact CE2-CE1 4.11Å; F76-F117 AromaticContact CE2-CZ 3.8Å; F76-F117 HydrophobicContact CE2-CZ 3.8Å; F76-F117 HydrophobicContact CZ-CE1 4.5Å; F76-V121 HydrophobicContact CE2-CG2 4.03Å; F76-V121 HydrophobicContact CZ-CG1 4.28Å; F76-V121 HydrophobicContact CZ-CG2 3.63Å; F76-L131 HydrophobicContact CD1-CB 3.85Å; F76-L131 HydrophobicContact CE1-CB 3.7Å; F76-L131 HydrophobicContact CE1-CD1 4.45Å; F76-L131 HydrophobicContact CE2-CD1 4.29Å; F76-L131 HydrophobicContact CG-CB 4.5Å; F76-L131 HydrophobicContact CZ-CB 4.22Å; F76-L131 HydrophobicContact CZ-CD1 4.13Å; F76-K133 HydrophobicContact CD1-CG 4.27Å; F76-K133 HydrophobicContact CE1-CG 4.01Å
77G89Confident89.3Confident14 Ų1486 Ų8614%0.14444%0.438CS..  trans70.3-163.5-175.500000112F73 I79F73-G77 WeakPolarHBondContact CD1-O 3.42Å; F73-G77 WeakPolarHBondContact O-CA 3.46Å; F73-G77 PolarHBondContact O-N 3.48Å; G77-I79 PolarHBondContact O-N 3.46Å
78N81.5Confident88.7Confident122 Ų12286.8 Ų86.865%0.65244%0.444SS*.SBendtrans-82.3100.3177.2-169.88.1000109.8
79I77.6Confident87.9Confident35 Ų3590.2 Ų90.218%0.17948%0.479CS..  trans-97.8118.6177.8-52.5-174.4000109.6F76 G77 L92 L131F76-I79 HydrophobicContact CB-CD1 3.66Å; F76-I79 HydrophobicContact CB-CG1 4.25Å; F76-I79 HydrophobicContact CG-CD1 4.36Å; F76-I79 WeakPolarHBondContact O-CG1 3.35Å; G77-I79 PolarHBondContact O-N 3.46Å; I79-L92 HydrophobicContact CB-CD1 3.97Å; I79-L92 HydrophobicContact CG2-CD1 3.45Å; I79-L92 VanDerWaalsContact CG2-CD1 3.45Å; I79-L131 HydrophobicContact CD1-CD2 4.09Å
80G77.9Confident87.3Confident51 Ų5190.9 Ų90.953%0.52649%0.491SS..SBendtrans95.4-174.7172.800000114.3
81R83.7Confident87Confident253 Ų25390.3 Ų90.396%0.95548%0.481SS*.  trans-113.1133.2175-64.7179.7-178.3172.80.4108.2
82I86.6Confident86.9Confident100 Ų10089.4 Ų89.451%0.51348%0.481SS..  trans-99.7127.1176.9-57.2173.4000107.6L84I82-L84 HydrophobicContact CG2-CD2 3.8Å; I82-L84 HydrophobicContact CG2-CG 4.44Å
83N88.9Confident86.8Confident89 Ų8989.8 Ų89.848%0.47648%0.483SS..  trans-93.1107.8172.6-174.88.4000109.5L85 T86N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 VanDerWaalsContact OD1-CB 3.32Å; N83-L85 WeakPolarHBondContact OD1-CB 3.2Å; N83-L85 PolarHBondContact OD1-N 3.3Å; N83-T86 WeakPolarHBondContact ND2-CG2 3.27Å; N83-T86 PolarHBondContact ND2-OG1 3.48Å
84L91.9Very high86.8Confident157 Ų15789.3 Ų89.382%0.82248%0.483SS*.THydrogen-bonded Turntrans-84.2-3.1178.3-59.1177.1000113.2I82I82-L84 HydrophobicContact CG2-CD2 3.8Å; I82-L84 HydrophobicContact CG2-CG 4.44Å
85L92.8Very high86.7Confident164 Ų16486.5 Ų86.586%0.85947%0.47SS*.THydrogen-bonded Turntrans-83.8-15.2178.3-58.6176.4000112.7N83N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 VanDerWaalsContact OD1-CB 3.32Å; N83-L85 WeakPolarHBondContact OD1-CB 3.2Å; N83-L85 PolarHBondContact OD1-N 3.3Å
86T89.1Confident86.7Confident66 Ų6684.4 Ų84.441%0.40546%0.461SS..  trans-121.1131.6-178.357.30000109.6N83 Q88N83-T86 WeakPolarHBondContact ND2-CG2 3.27Å; N83-T86 PolarHBondContact ND2-OG1 3.48Å; T86-Q88 PolarHBondContact O-N 3.33Å; T86-Q88 PolarHBondContact OG1-O 3.11Å
87D86.6Confident86.8Confident165 Ų16584.5 Ų84.588%0.88246%0.461SS*.SBendtrans-72.1-5.4165.7-165.129000111.8
88Q78.8Confident87Confident154 Ų15486 Ų8672%0.7247%0.473SS*.  trans-95.7129.3177.6-59.7-59.6-3400110.2T86T86-Q88 PolarHBondContact O-N 3.33Å; T86-Q88 PolarHBondContact OG1-O 3.11Å
89G74.1Confident87.5Confident74 Ų7482.4 Ų82.476%0.76345%0.451SS*.  trans116.5118.7176.100000112.3
90S81.9Confident88.3Confident64 Ų6481 Ų8145%0.44844%0.444SS..  trans-82.6128.7170.6490000110.2K95S90-K95 WeakPolarHBondContact OG-CE 3.31Å; S90-K95 VanDerWaalsContact OG-CG 3.3Å; S90-K95 WeakPolarHBondContact OG-CG 3.41Å
91S88Confident88.9Confident32 Ų3280.6 Ų80.622%0.22443%0.427CS..  trans-60.1158.4168.766.10000110.2S93 E94 K95S91-S93 PolarHBondContact O-N 3.42Å; S91-S93 PolarHBondContact OG-OG 2.81Å; S91-E94 WeakPolarHBondContact O-CA 3.48Å; S91-E94 WeakPolarHBondContact O-CB 3.33Å; S91-E94 PolarHBondContact O-N 2.92Å; S91-E94 VanDerWaalsContact OG-CB 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.06Å; S91-E94 PolarHBondContact OG-N 2.94Å; S91-E94 VanDerWaalsContact OG-N 3.1Å; S91-K95 PolarHBondContact O-N 3.07Å
92L90.2Very high89.3Confident49 Ų4974.9 Ų74.926%0.25741%0.412SS..Hα-helixtrans-59.6-37.4175.9-74.2175000111.8F72 I79 E94 K95 F96 V129F72-L92 HydrophobicContact CZ-CB 4.46Å; I79-L92 HydrophobicContact CB-CD1 3.97Å; I79-L92 HydrophobicContact CG2-CD1 3.45Å; I79-L92 VanDerWaalsContact CG2-CD1 3.45Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 3.4Å; L92-K95 PolarHBondContact O-N 3.01Å; L92-F96 WeakPolarHBondContact O-CB 3.44Å; L92-F96 PolarHBondContact O-N 3.28Å; L92-V129 HydrophobicContact CD2-CG1 3.7Å
93S92.3Very high89.4Confident9 Ų973.5 Ų73.56%0.06341%0.405CS..Hα-helixtrans-62.2-35.9172.147.90000112.3S91 F96 V97S91-S93 PolarHBondContact O-N 3.42Å; S91-S93 PolarHBondContact OG-OG 2.81Å; S93-F96 WeakPolarHBondContact O-CB 3.43Å; S93-F96 PolarHBondContact O-N 3.27Å; S93-V97 VanDerWaalsContact O-CG2 3.26Å; S93-V97 WeakPolarHBondContact O-CG2 3.29Å; S93-V97 PolarHBondContact O-N 2.77Å
94E92.5Very high89.3Confident74 Ų7469.8 Ų69.835%0.34639%0.386SS..Hα-helixtrans-70.4-43.9177.9-170.461.5-16100111.6R69 S91 L92 F96 V97 A98R69-E94 IonicContact CZ-OE2 3.67Å; R69-E94 IonicContact NE-OE2 3.39Å; R69-E94 IonicContact NH2-OE1 3.07Å; R69-E94 IonicContact NH2-OE2 3.53Å; R69-E94 PolarHBondContact NH2-OE2 3.18Å; S91-E94 WeakPolarHBondContact O-CA 3.48Å; S91-E94 WeakPolarHBondContact O-CB 3.33Å; S91-E94 PolarHBondContact O-N 2.92Å; S91-E94 VanDerWaalsContact OG-CB 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.06Å; S91-E94 PolarHBondContact OG-N 2.94Å; S91-E94 VanDerWaalsContact OG-N 3.1Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 3.4Å; E94-F96 PolarHBondContact O-N 2.93Å; E94-V97 PolarHBondContact O-N 2.61Å; E94-A98 WeakPolarHBondContact O-CB 3.2Å; E94-A98 PolarHBondContact O-N 3.04Å
95K92Very high88.3Confident98 Ų9868 Ų6843%0.42638%0.383SS..Hα-helixtrans-58.5-39.8171.7-65.6-176.2-177.9-176.10111.4S90 S91 L92 A98 K99S90-K95 WeakPolarHBondContact OG-CE 3.31Å; S90-K95 VanDerWaalsContact OG-CG 3.3Å; S90-K95 WeakPolarHBondContact OG-CG 3.41Å; S91-K95 PolarHBondContact O-N 3.07Å; L92-K95 PolarHBondContact O-N 3.01Å; K95-A98 PolarHBondContact O-N 3.3Å; K95-K99 WeakPolarHBondContact O-CB 3.27Å; K95-K99 PolarHBondContact O-N 3.38Å
96F94Very high87.3Confident0 Ų065 Ų650%037%0.369CS..Hα-helixtrans-62.6-48.2176.2-171.4-80.1000112.1V68 F72 F76 L92 S93 E94 K99 F100 F117 T120 V121 L124 L131V68-F96 HydrophobicContact CG1-CD1 3.92Å; V68-F96 HydrophobicContact CG1-CE1 3.84Å; F72-F96 HydrophobicContact CB-CD1 4.42Å; F72-F96 HydrophobicContact CD2-CB 3.85Å; F72-F96 AromaticContact CD2-CD1 3.96Å; F72-F96 HydrophobicContact CD2-CD1 3.96Å; F72-F96 AromaticContact CD2-CD2 3.67Å; F72-F96 HydrophobicContact CD2-CD2 3.67Å; F72-F96 HydrophobicContact CD2-CE1 4.5Å; F72-F96 HydrophobicContact CD2-CE2 4.25Å; F72-F96 AromaticContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CE2-CB 3.96Å; F72-F96 AromaticContact CE2-CD2 3.94Å; F72-F96 HydrophobicContact CE2-CD2 3.94Å; F72-F96 AromaticContact CE2-CG 3.99Å; F72-F96 HydrophobicContact CE2-CG 3.99Å; F72-F96 HydrophobicContact CG-CG 4.47Å; F76-F96 HydrophobicContact CE2-CE2 4.24Å; L92-F96 WeakPolarHBondContact O-CB 3.44Å; L92-F96 PolarHBondContact O-N 3.28Å; S93-F96 WeakPolarHBondContact O-CB 3.43Å; S93-F96 PolarHBondContact O-N 3.27Å; E94-F96 PolarHBondContact O-N 2.93Å; F96-K99 PolarHBondContact O-N 3.33Å; F96-F100 HydrophobicContact CE1-CB 4.4Å; F96-F100 HydrophobicContact CE1-CD2 4.29Å; F96-F100 VanDerWaalsContact O-CB 3.25Å; F96-F100 WeakPolarHBondContact O-CB 3.41Å; F96-F100 PolarHBondContact O-N 3.45Å; F96-F117 AromaticContact CE1-CD2 3.73Å; F96-F117 HydrophobicContact CE1-CD2 3.73Å; F96-F117 AromaticContact CE1-CE2 3.46Å; F96-F117 HydrophobicContact CE1-CE2 3.46Å; F96-F117 VanDerWaalsContact CE1-CE2 3.46Å; F96-F117 HydrophobicContact CE1-CZ 4.25Å; F96-F117 HydrophobicContact CE2-CE2 4.42Å; F96-F117 HydrophobicContact CE2-CZ 4.47Å; F96-F117 AromaticContact CZ-CD2 3.59Å; F96-F117 HydrophobicContact CZ-CD2 3.59Å; F96-F117 HydrophobicContact CZ-CE1 4.3Å; F96-F117 AromaticContact CZ-CE2 3.33Å; F96-F117 HydrophobicContact CZ-CE2 3.33Å; F96-F117 HydrophobicContact CZ-CG 4.19Å; F96-F117 AromaticContact CZ-CZ 3.73Å; F96-F117 HydrophobicContact CZ-CZ 3.73Å; F96-T120 HydrophobicContact CD1-CG2 4.34Å; F96-T120 HydrophobicContact CD2-CG2 4.06Å; F96-T120 HydrophobicContact CE1-CG2 4.09Å; F96-T120 HydrophobicContact CE2-CG2 3.78Å; F96-T120 HydrophobicContact CG-CG2 4.31Å; F96-T120 HydrophobicContact CZ-CG2 3.78Å; F96-V121 HydrophobicContact CE2-CG2 3.77Å; F96-V121 HydrophobicContact CZ-CG2 4.2Å; F96-L124 HydrophobicContact CB-CD1 4.05Å; F96-L124 HydrophobicContact CD2-CD1 3.37Å; F96-L124 HydrophobicContact CE2-CD1 4.1Å; F96-L124 HydrophobicContact CG-CD1 4.05Å; F96-L131 HydrophobicContact CD2-CD1 4.19Å; F96-L131 HydrophobicContact CE2-CD1 4.35Å
97V93.5Very high86.2Confident4 Ų470.9 Ų70.92%0.02438%0.383CS..Hα-helixtrans-61-45.3177.3167.20000111.3E65 V68 R69 S93 E94 K99 F100 F101E65-V97 HydrophobicContact CB-CG1 3.48Å; E65-V97 VanDerWaalsContact CB-CG1 3.48Å; E65-V97 HydrophobicContact CB-CG2 4.28Å; E65-V97 HydrophobicContact CG-CG1 4.46Å; V68-V97 HydrophobicContact CB-CG2 4.23Å; V68-V97 HydrophobicContact CG1-CG2 4.08Å; R69-V97 HydrophobicContact CG-CG2 3.53Å; S93-V97 VanDerWaalsContact O-CG2 3.26Å; S93-V97 WeakPolarHBondContact O-CG2 3.29Å; S93-V97 PolarHBondContact O-N 2.77Å; E94-V97 PolarHBondContact O-N 2.61Å; V97-K99 VanDerWaalsContact C-N 3.34Å; V97-K99 PolarHBondContact O-N 3.03Å; V97-F100 PolarHBondContact O-N 3.33Å; V97-F101 HydrophobicContact CG1-CD2 3.76Å; V97-F101 HydrophobicContact CG1-CE2 3.54Å; V97-F101 HydrophobicContact CG1-CZ 4.32Å; V97-F101 PolarHBondContact O-N 2.78Å
98A93.2Very high84.9Confident47 Ų4771 Ų7139%0.38838%0.379SS..Hα-helixtrans-57.7-48.8177.600000110.9E94 K95 F100 F101 E102E94-A98 WeakPolarHBondContact O-CB 3.2Å; E94-A98 PolarHBondContact O-N 3.04Å; K95-A98 PolarHBondContact O-N 3.3Å; A98-F100 PolarHBondContact O-N 2.94Å; A98-F101 PolarHBondContact O-N 3.13Å; A98-E102 WeakPolarHBondContact O-CG 3.47Å; A98-E102 PolarHBondContact O-N 3.24Å
99K92.9Very high84Confident45 Ų4573.1 Ų73.120%0.19639%0.385CS..Hα-helixtrans-66.6-38179-16170.9-176.9-179.40113K95 F96 V97 F101 E102 L103 T120 A123 L124 E127K95-K99 WeakPolarHBondContact O-CB 3.27Å; K95-K99 PolarHBondContact O-N 3.38Å; F96-K99 PolarHBondContact O-N 3.33Å; V97-K99 VanDerWaalsContact C-N 3.34Å; V97-K99 PolarHBondContact O-N 3.03Å; K99-F101 VanDerWaalsContact C-N 3.32Å; K99-F101 PolarHBondContact O-N 3.35Å; K99-E102 WeakPolarHBondContact CD-OE2 3.33Å; K99-E102 IonicContact NZ-OE2 2.97Å; K99-E102 PolarHBondContact NZ-OE2 3.43Å; K99-E102 VanDerWaalsContact NZ-OE2 3.07Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 3.03Å; K99-L103 WeakPolarHBondContact O-CG 3.22Å; K99-L103 PolarHBondContact O-N 3.29Å; K99-L103 VanDerWaalsContact O-N 3.11Å; K99-T120 HydrophobicContact CB-CG2 3.92Å; K99-T120 HydrophobicContact CG-CG2 4.15Å; K99-A123 HydrophobicContact CG-CB 4.36Å; K99-L124 HydrophobicContact CB-CD2 4.12Å; K99-L124 HydrophobicContact CB-CG 4.4Å; K99-L124 HydrophobicContact CG-CD2 4.18Å; K99-L124 HydrophobicContact CG-CG 4.31Å; K99-E127 WeakPolarHBondContact CE-OE1 3.23Å; K99-E127 IonicContact NZ-OE1 3.86Å; K99-E127 PolarHBondContact NZ-OE1 3.11Å
100F93.3Very high83.2Confident6 Ų671.2 Ų71.23%0.02636%0.36CS..Hα-helixtrans-60-44.4175.7-176.2-88.2000111.1V68 F96 V97 A98 L103 C104 Y113 V116 F117 T120V68-F100 HydrophobicContact CB-CD1 4.47Å; V68-F100 HydrophobicContact CG1-CB 4.06Å; V68-F100 HydrophobicContact CG1-CD1 3.99Å; V68-F100 HydrophobicContact CG1-CD2 4.13Å; V68-F100 HydrophobicContact CG1-CG 3.78Å; V68-F100 HydrophobicContact CG2-CD1 3.6Å; V68-F100 HydrophobicContact CG2-CE1 3.61Å; V68-F100 HydrophobicContact CG2-CG 4.25Å; V68-F100 HydrophobicContact CG2-CZ 4.25Å; F96-F100 HydrophobicContact CE1-CB 4.4Å; F96-F100 HydrophobicContact CE1-CD2 4.29Å; F96-F100 VanDerWaalsContact O-CB 3.25Å; F96-F100 WeakPolarHBondContact O-CB 3.41Å; F96-F100 PolarHBondContact O-N 3.45Å; V97-F100 PolarHBondContact O-N 3.33Å; A98-F100 PolarHBondContact O-N 2.94Å; F100-L103 PolarHBondContact O-N 3.12Å; F100-C104 HydrophobicContact CE1-CB 4.31Å; F100-C104 WeakPolarHBondContact O-CB 3.46Å; F100-C104 PolarHBondContact O-N 3.37Å; F100-Y113 HydrophobicContact CE1-CD2 4.42Å; F100-Y113 HydrophobicContact CE1-CE2 4.15Å; F100-Y113 HydrophobicContact CE2-CD2 4.38Å; F100-Y113 HydrophobicContact CE2-CE2 4.13Å; F100-Y113 AromaticContact CZ-CD2 3.59Å; F100-Y113 HydrophobicContact CZ-CD2 3.59Å; F100-Y113 AromaticContact CZ-CE2 3.47Å; F100-Y113 HydrophobicContact CZ-CE2 3.47Å; F100-Y113 VanDerWaalsContact CZ-CE2 3.47Å; F100-Y113 HydrophobicContact CZ-CG 4.48Å; F100-V116 HydrophobicContact CD2-CG1 3.9Å; F100-V116 HydrophobicContact CE1-CG1 4.46Å; F100-V116 HydrophobicContact CE2-CB 4.02Å; F100-V116 HydrophobicContact CE2-CG1 3.63Å; F100-V116 HydrophobicContact CG-CG1 4.43Å; F100-V116 HydrophobicContact CZ-CB 4.3Å; F100-V116 HydrophobicContact CZ-CG1 3.92Å; F100-F117 HydrophobicContact CE2-CB 4.08Å; F100-F117 HydrophobicContact CE2-CD2 4.41Å; F100-T120 WeakPolarHBondContact CA-OG1 3.38Å; F100-T120 HydrophobicContact CB-CG2 4.07Å
101F91.2Very high82.3Confident42 Ų4278.2 Ų78.218%0.18439%0.385CS..Hα-helixtrans-75.1-25.3177.3-68.6-33.7000114.2P64 E65 V68 V97 A98 K99 L103 C104P64-F101 HydrophobicContact CB-CZ 4.43Å; E65-F101 HydrophobicContact CB-CE2 3.73Å; E65-F101 HydrophobicContact CB-CZ 3.81Å; V68-F101 HydrophobicContact CG2-CE1 4.29Å; V97-F101 HydrophobicContact CG1-CD2 3.76Å; V97-F101 HydrophobicContact CG1-CE2 3.54Å; V97-F101 HydrophobicContact CG1-CZ 4.32Å; V97-F101 PolarHBondContact O-N 2.78Å; A98-F101 PolarHBondContact O-N 3.13Å; K99-F101 VanDerWaalsContact C-N 3.32Å; K99-F101 PolarHBondContact O-N 3.35Å; F101-L103 VanDerWaalsContact C-N 3.31Å; F101-C104 PolarHBondContact O-N 2.71Å; F101-C104 VanDerWaalsContact O-O 3.13Å
102E91.2Very high82Confident134 Ų13479.8 Ų79.863%0.62639%0.391SS*.Hα-helixtrans-63.2-39167.8-75.4176.1-169.500111.6A98 K99A98-E102 WeakPolarHBondContact O-CG 3.47Å; A98-E102 PolarHBondContact O-N 3.24Å; K99-E102 WeakPolarHBondContact CD-OE2 3.33Å; K99-E102 IonicContact NZ-OE2 2.97Å; K99-E102 PolarHBondContact NZ-OE2 3.43Å; K99-E102 VanDerWaalsContact NZ-OE2 3.07Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 3.03Å
103L89.9Confident81.8Confident71 Ų7180.5 Ų80.537%0.37239%0.391SS..Hα-helixtrans-84.3-13.1-179.8-65.9175.1000113.6K99 F100 F101 P105 V116 N119 A123K99-L103 WeakPolarHBondContact O-CG 3.22Å; K99-L103 PolarHBondContact O-N 3.29Å; K99-L103 VanDerWaalsContact O-N 3.11Å; F100-L103 PolarHBondContact O-N 3.12Å; F101-L103 VanDerWaalsContact C-N 3.31Å; L103-P105 WeakPolarHBondContact O-CD 3.43Å; L103-V116 HydrophobicContact CB-CG1 4.09Å; L103-N119 HydrophobicContact CD1-CB 4.22Å; L103-A123 HydrophobicContact CD1-CB 4.43Å
104C85Confident81.6Confident11 Ų1185.2 Ų85.27%0.07441%0.412CS..  trans-110.294.4-178-155.10000109.9F100 F101 D106 V116F100-C104 HydrophobicContact CE1-CB 4.31Å; F100-C104 WeakPolarHBondContact O-CB 3.46Å; F100-C104 PolarHBondContact O-N 3.37Å; F101-C104 PolarHBondContact O-N 2.71Å; F101-C104 VanDerWaalsContact O-O 3.13Å; C104-D106 PolarHBondContact O-N 3.26Å; C104-D106 PolarHBondContact SG-O 3.42Å; C104-V116 HydrophobicContact CB-CG1 4.02Å
105P71.9Confident81.4Confident118 Ų11887.2 Ų87.277%0.76642%0.421SS*.SBendtrans-63.3-31.9179.524.3-32.5000111.9L103L103-P105 WeakPolarHBondContact O-CD 3.43Å
106D71.3Confident81.4Confident103 Ų10383.1 Ų83.155%0.55141%0.405SS*.SBendtrans-98.8106.1174.9-57.3-39.3000109.3C104 E108C104-D106 PolarHBondContact O-N 3.26Å; C104-D106 PolarHBondContact SG-O 3.42Å; D106-E108 PolarHBondContact O-N 2.98Å
107R66Low81.4Confident189 Ų18983.8 Ų83.871%0.71341%0.408SS*.SBendtrans-63.3-4.9177.6-63.4-174.8-179.7-162.3-0.9113.7
108E59.8Low81.3Confident168 Ų16885.8 Ų85.879%0.78542%0.424SS*.SBendtrans-114.4117.4-176.6-65.9-172.4167.200110.8D106 S110D106-E108 PolarHBondContact O-N 2.98Å; E108-S110 PolarHBondContact O-N 2.8Å
109K59.2Low81.3Confident198 Ų19887.7 Ų87.786%0.86143%0.428SS*.  trans17.958.7164.9-65.4-177.9-178.9175.40115.5H111K109-H111 PolarHBondContact O-N 3.42Å
110S58.7Low81.3Confident33 Ų3385.5 Ų85.523%0.23142%0.418CS..  trans-61.9140.3169.3-44.60000107.3E108 N112 Y113E108-S110 PolarHBondContact O-N 2.8Å; S110-N112 PolarHBondContact O-N 2.62Å; S110-Y113 PolarHBondContact O-N 3.06Å; S110-Y113 VanDerWaalsContact O-N 3.1Å
111H61.2Low81.3Confident211 Ų21186.5 Ų86.598%0.97743%0.425SS*.THydrogen-bonded Turntrans-51.3-7.4172.8-75.2-41.6000114K109K109-H111 PolarHBondContact O-N 3.42Å
112N82.3Confident81.4Confident65 Ų6589.1 Ų89.135%0.34844%0.441SS..THydrogen-bonded Turntrans-105.716.8-177.1-137.612000116.7S110 E114 Q115 V116S110-N112 PolarHBondContact O-N 2.62Å; N112-E114 VanDerWaalsContact C-N 3.28Å; N112-E114 PolarHBondContact O-N 3.06Å; N112-Q115 VanDerWaalsContact CG-OE1 3.23Å; N112-Q115 PolarHBondContact ND2-OE1 2.96Å; N112-Q115 PolarHBondContact O-N 3.27Å; N112-Q115 WeakPolarHBondContact OD1-CB 3.23Å; N112-Q115 WeakPolarHBondContact OD1-CG 3.32Å; N112-Q115 PolarHBondContact OD1-NE2 2.85Å; N112-Q115 PolarHBondContact OD1-OE1 3.44Å; N112-V116 WeakPolarHBondContact O-CG2 3.21Å; N112-V116 PolarHBondContact O-N 2.94Å
113Y86Confident81.6Confident65 Ų6583.9 Ų83.926%0.25542%0.421SS..Hα-helixtrans-48.2-45.9-177.7-178.9-90.5000113.8V68 R71 F100 S110 V116 F117V68-Y113 HydrophobicContact CG2-CE2 4.33Å; R71-Y113 VanDerWaalsContact CB-OH 3.3Å; R71-Y113 WeakPolarHBondContact CB-OH 3.25Å; R71-Y113 HydrophobicContact CG-CE1 4.17Å; F100-Y113 HydrophobicContact CE1-CD2 4.42Å; F100-Y113 HydrophobicContact CE1-CE2 4.15Å; F100-Y113 HydrophobicContact CE2-CD2 4.38Å; F100-Y113 HydrophobicContact CE2-CE2 4.13Å; F100-Y113 AromaticContact CZ-CD2 3.59Å; F100-Y113 HydrophobicContact CZ-CD2 3.59Å; F100-Y113 AromaticContact CZ-CE2 3.47Å; F100-Y113 HydrophobicContact CZ-CE2 3.47Å; F100-Y113 VanDerWaalsContact CZ-CE2 3.47Å; F100-Y113 HydrophobicContact CZ-CG 4.48Å; S110-Y113 PolarHBondContact O-N 3.06Å; S110-Y113 VanDerWaalsContact O-N 3.1Å; Y113-V116 PolarHBondContact O-N 3.26Å; Y113-F117 WeakPolarHBondContact O-CB 3.28Å; Y113-F117 PolarHBondContact O-N 3.06Å
114E88.1Confident81.7Confident108 Ų10880.7 Ų80.751%0.50540%0.404SS..Hα-helixtrans-67.2-37.3-179.6-66.2-69.2163.100112.5R71 N112 F117 A118R71-E114 IonicContact CZ-OE1 3.82Å; R71-E114 IonicContact CZ-OE2 3.92Å; R71-E114 IonicContact NH2-OE1 3.15Å; R71-E114 PolarHBondContact NH2-OE1 2.99Å; R71-E114 VanDerWaalsContact NH2-OE1 3.15Å; R71-E114 IonicContact NH2-OE2 2.93Å; R71-E114 PolarHBondContact NH2-OE2 3.49Å; N112-E114 VanDerWaalsContact C-N 3.28Å; N112-E114 PolarHBondContact O-N 3.06Å; E114-F117 PolarHBondContact O-N 3.21Å; E114-A118 PolarHBondContact O-N 2.95Å
115Q89.5Confident82Confident115 Ų11583.2 Ų83.254%0.53742%0.422SS..Hα-helixtrans-70.2-41.9176.3-63.6-176.67.400111.1N112 F117 A118 N119N112-Q115 VanDerWaalsContact CG-OE1 3.23Å; N112-Q115 PolarHBondContact ND2-OE1 2.96Å; N112-Q115 PolarHBondContact O-N 3.27Å; N112-Q115 WeakPolarHBondContact OD1-CB 3.23Å; N112-Q115 WeakPolarHBondContact OD1-CG 3.32Å; N112-Q115 PolarHBondContact OD1-NE2 2.85Å; N112-Q115 PolarHBondContact OD1-OE1 3.44Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.01Å; Q115-A118 PolarHBondContact O-N 3.28Å; Q115-N119 WeakPolarHBondContact O-CB 3.26Å; Q115-N119 PolarHBondContact O-N 3.06Å; Q115-N119 PolarHBondContact O-ND2 3.43Å; Q115-N119 PolarHBondContact O-OD1 3.49Å
116V91.8Very high82.9Confident13 Ų1382.7 Ų82.78%0.07942%0.421CS..Hα-helixtrans-62.4-40.6176.1179.20000110.3F100 L103 C104 N112 Y113 N119 T120F100-V116 HydrophobicContact CD2-CG1 3.9Å; F100-V116 HydrophobicContact CE1-CG1 4.46Å; F100-V116 HydrophobicContact CE2-CB 4.02Å; F100-V116 HydrophobicContact CE2-CG1 3.63Å; F100-V116 HydrophobicContact CG-CG1 4.43Å; F100-V116 HydrophobicContact CZ-CB 4.3Å; F100-V116 HydrophobicContact CZ-CG1 3.92Å; L103-V116 HydrophobicContact CB-CG1 4.09Å; C104-V116 HydrophobicContact CB-CG1 4.02Å; N112-V116 WeakPolarHBondContact O-CG2 3.21Å; N112-V116 PolarHBondContact O-N 2.94Å; Y113-V116 PolarHBondContact O-N 3.26Å; V116-N119 PolarHBondContact O-N 3.45Å; V116-T120 WeakPolarHBondContact O-CB 3.5Å; V116-T120 PolarHBondContact O-N 3.43Å; V116-T120 PolarHBondContact O-OG1 3.19Å
117F92.7Very high83.9Confident14 Ų1483.3 Ų83.36%0.06142%0.42CS..Hα-helixtrans-61.3-46.8175.8-171.3-88.1000111.5R71 F76 F96 F100 Y113 E114 Q115 T120 V121R71-F117 HydrophobicContact CB-CE2 4.11Å; R71-F117 HydrophobicContact CG-CD2 3.88Å; R71-F117 HydrophobicContact CG-CE2 3.5Å; R71-F117 VanDerWaalsContact CG-CE2 3.5Å; R71-F117 HydrophobicContact CG-CZ 3.86Å; F76-F117 HydrophobicContact CE2-CE1 4.11Å; F76-F117 AromaticContact CE2-CZ 3.8Å; F76-F117 HydrophobicContact CE2-CZ 3.8Å; F76-F117 HydrophobicContact CZ-CE1 4.5Å; F96-F117 AromaticContact CE1-CD2 3.73Å; F96-F117 HydrophobicContact CE1-CD2 3.73Å; F96-F117 AromaticContact CE1-CE2 3.46Å; F96-F117 HydrophobicContact CE1-CE2 3.46Å; F96-F117 VanDerWaalsContact CE1-CE2 3.46Å; F96-F117 HydrophobicContact CE1-CZ 4.25Å; F96-F117 HydrophobicContact CE2-CE2 4.42Å; F96-F117 HydrophobicContact CE2-CZ 4.47Å; F96-F117 AromaticContact CZ-CD2 3.59Å; F96-F117 HydrophobicContact CZ-CD2 3.59Å; F96-F117 HydrophobicContact CZ-CE1 4.3Å; F96-F117 AromaticContact CZ-CE2 3.33Å; F96-F117 HydrophobicContact CZ-CE2 3.33Å; F96-F117 HydrophobicContact CZ-CG 4.19Å; F96-F117 AromaticContact CZ-CZ 3.73Å; F96-F117 HydrophobicContact CZ-CZ 3.73Å; F100-F117 HydrophobicContact CE2-CB 4.08Å; F100-F117 HydrophobicContact CE2-CD2 4.41Å; Y113-F117 WeakPolarHBondContact O-CB 3.28Å; Y113-F117 PolarHBondContact O-N 3.06Å; E114-F117 PolarHBondContact O-N 3.21Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.01Å; F117-T120 WeakPolarHBondContact O-CB 3.38Å; F117-T120 PolarHBondContact O-N 2.72Å; F117-V121 HydrophobicContact CD1-CG2 4.3Å; F117-V121 HydrophobicContact CE1-CG2 4.06Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 2.54Å; F117-V121 VanDerWaalsContact O-N 3.1Å
118A92.4Very high85Confident45 Ų4577.2 Ų77.237%0.37242%0.416SS..Hα-helixtrans-61-47.7175.900000112E114 Q115 T120 V121 D122E114-A118 PolarHBondContact O-N 2.95Å; Q115-A118 PolarHBondContact O-N 3.28Å; A118-T120 PolarHBondContact O-N 2.88Å; A118-V121 WeakPolarHBondContact O-CB 3.4Å; A118-V121 PolarHBondContact O-N 3.32Å; A118-D122 PolarHBondContact O-N 3Å
119N92.8Very high86.3Confident87 Ų8770.6 Ų70.647%0.46539%0.387SS..Hα-helixtrans-59.7-35.1177.2-66.2-8.6000112L103 Q115 V116 D122 A123L103-N119 HydrophobicContact CD1-CB 4.22Å; Q115-N119 WeakPolarHBondContact O-CB 3.26Å; Q115-N119 PolarHBondContact O-N 3.06Å; Q115-N119 PolarHBondContact O-ND2 3.43Å; Q115-N119 PolarHBondContact O-OD1 3.49Å; V116-N119 PolarHBondContact O-N 3.45Å; N119-D122 PolarHBondContact O-N 3.19Å; N119-A123 VanDerWaalsContact O-CB 3.28Å; N119-A123 WeakPolarHBondContact O-CB 3.07Å; N119-A123 PolarHBondContact O-N 2.98Å
120T93.8Very high87.6Confident0 Ų066 Ų660%038%0.376CS..Hα-helixtrans-66.9-41.5176.4-540000111.2F96 K99 F100 V116 F117 A118 A123 L124F96-T120 HydrophobicContact CD1-CG2 4.34Å; F96-T120 HydrophobicContact CD2-CG2 4.06Å; F96-T120 HydrophobicContact CE1-CG2 4.09Å; F96-T120 HydrophobicContact CE2-CG2 3.78Å; F96-T120 HydrophobicContact CG-CG2 4.31Å; F96-T120 HydrophobicContact CZ-CG2 3.78Å; K99-T120 HydrophobicContact CB-CG2 3.92Å; K99-T120 HydrophobicContact CG-CG2 4.15Å; F100-T120 WeakPolarHBondContact CA-OG1 3.38Å; F100-T120 HydrophobicContact CB-CG2 4.07Å; V116-T120 WeakPolarHBondContact O-CB 3.5Å; V116-T120 PolarHBondContact O-N 3.43Å; V116-T120 PolarHBondContact O-OG1 3.19Å; F117-T120 WeakPolarHBondContact O-CB 3.38Å; F117-T120 PolarHBondContact O-N 2.72Å; A118-T120 PolarHBondContact O-N 2.88Å; T120-A123 PolarHBondContact O-N 3.31Å; T120-L124 HydrophobicContact CG2-CD1 4.12Å; T120-L124 WeakPolarHBondContact O-CG 3.5Å; T120-L124 PolarHBondContact O-N 3.25Å
121V93.5Very high88.9Confident27 Ų2765.8 Ų65.816%0.16437%0.371CS..Hα-helixtrans-62.2-44.8175.7174.90000110.7F76 F96 F117 A118 L124 S125 L131F76-V121 HydrophobicContact CE2-CG2 4.03Å; F76-V121 HydrophobicContact CZ-CG1 4.28Å; F76-V121 HydrophobicContact CZ-CG2 3.63Å; F96-V121 HydrophobicContact CE2-CG2 3.77Å; F96-V121 HydrophobicContact CZ-CG2 4.2Å; F117-V121 HydrophobicContact CD1-CG2 4.3Å; F117-V121 HydrophobicContact CE1-CG2 4.06Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 2.54Å; F117-V121 VanDerWaalsContact O-N 3.1Å; A118-V121 WeakPolarHBondContact O-CB 3.4Å; A118-V121 PolarHBondContact O-N 3.32Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-S125 WeakPolarHBondContact O-CB 3.2Å; V121-S125 PolarHBondContact O-N 2.95Å; V121-S125 PolarHBondContact O-OG 3.14Å; V121-L131 HydrophobicContact CG1-CD1 4.4Å
122D93.4Very high90.1Very high97 Ų9761 Ų6152%0.51935%0.348SS..Hα-helixtrans-66.7-40.4179.5-67.5-20.1000111.8A118 N119 S125 S126A118-D122 PolarHBondContact O-N 3Å; N119-D122 PolarHBondContact O-N 3.19Å; D122-S125 PolarHBondContact O-N 2.75Å; D122-S126 WeakPolarHBondContact O-CB 3.27Å; D122-S126 PolarHBondContact O-N 3.4Å; D122-S126 PolarHBondContact O-OG 3.37Å
123A93.9Very high90.4Very high24 Ų2462.1 Ų62.120%0.19835%0.35CS..Hα-helixtrans-61.8-47.7175.800000111.8K99 L103 N119 T120 S125 S126 E127K99-A123 HydrophobicContact CG-CB 4.36Å; L103-A123 HydrophobicContact CD1-CB 4.43Å; N119-A123 VanDerWaalsContact O-CB 3.28Å; N119-A123 WeakPolarHBondContact O-CB 3.07Å; N119-A123 PolarHBondContact O-N 2.98Å; T120-A123 PolarHBondContact O-N 3.31Å; A123-S125 VanDerWaalsContact C-N 3.35Å; A123-S125 PolarHBondContact O-N 2.89Å; A123-S126 WeakPolarHBondContact O-CB 3.4Å; A123-S126 PolarHBondContact O-N 3.34Å; A123-E127 WeakPolarHBondContact O-CG 3.43Å; A123-E127 PolarHBondContact O-N 3.22Å
124L92.9Very high90.4Very high4 Ų461.1 Ų61.12%0.02135%0.35CS..Hα-helixtrans-68.2-34.8178.5-69.5171.5000112.7F96 K99 T120 V121 S126 E127 G128 V129 L131F96-L124 HydrophobicContact CB-CD1 4.05Å; F96-L124 HydrophobicContact CD2-CD1 3.37Å; F96-L124 HydrophobicContact CE2-CD1 4.1Å; F96-L124 HydrophobicContact CG-CD1 4.05Å; K99-L124 HydrophobicContact CB-CD2 4.12Å; K99-L124 HydrophobicContact CB-CG 4.4Å; K99-L124 HydrophobicContact CG-CD2 4.18Å; K99-L124 HydrophobicContact CG-CG 4.31Å; T120-L124 HydrophobicContact CG2-CD1 4.12Å; T120-L124 WeakPolarHBondContact O-CG 3.5Å; T120-L124 PolarHBondContact O-N 3.25Å; V121-L124 PolarHBondContact O-N 2.94Å; L124-S126 VanDerWaalsContact C-N 3.28Å; L124-S126 PolarHBondContact O-N 2.84Å; L124-E127 CarbonylContact O-C 3.57Å; L124-E127 PolarHBondContact O-N 2.76Å; L124-G128 PolarHBondContact O-N 3.28Å; L124-V129 HydrophobicContact CB-CB 4.18Å; L124-V129 HydrophobicContact CD2-CG2 4.46Å; L124-V129 WeakPolarHBondContact O-CB 3.36Å; L124-V129 PolarHBondContact O-N 2.81Å; L124-L131 HydrophobicContact CB-CD1 4.48Å; L124-L131 HydrophobicContact CD1-CD1 4.28Å
125S91.1Very high90.2Very high64 Ų6463.6 Ų63.645%0.44836%0.359SS..Hα-helixtrans-64-37.3173.9-58.90000111V121 D122 A123 E127 G128V121-S125 WeakPolarHBondContact O-CB 3.2Å; V121-S125 PolarHBondContact O-N 2.95Å; V121-S125 PolarHBondContact O-OG 3.14Å; D122-S125 PolarHBondContact O-N 2.75Å; A123-S125 VanDerWaalsContact C-N 3.35Å; A123-S125 PolarHBondContact O-N 2.89Å; S125-E127 VanDerWaalsContact C-N 3.32Å; S125-G128 PolarHBondContact O-N 3.41Å; S125-G128 VanDerWaalsContact O-N 3.13Å
126S91.6Very high89.7Confident107 Ų10763 Ų6375%0.74836%0.36SS*.Hα-helixtrans-68.7-29.9174.6-55.70000112.8D122 A123 L124 G128D122-S126 WeakPolarHBondContact O-CB 3.27Å; D122-S126 PolarHBondContact O-N 3.4Å; D122-S126 PolarHBondContact O-OG 3.37Å; A123-S126 WeakPolarHBondContact O-CB 3.4Å; A123-S126 PolarHBondContact O-N 3.34Å; L124-S126 VanDerWaalsContact C-N 3.28Å; L124-S126 PolarHBondContact O-N 2.84Å; S126-G128 PolarHBondContact O-N 3.11Å
127E91.1Very high88.5Confident116 Ų11666.3 Ų66.354%0.54237%0.374SS..THydrogen-bonded Turntrans-78.1-1.3172.3-67.8175.1-166.800113.1K99 A123 L124 S125K99-E127 WeakPolarHBondContact CE-OE1 3.23Å; K99-E127 IonicContact NZ-OE1 3.86Å; K99-E127 PolarHBondContact NZ-OE1 3.11Å; A123-E127 WeakPolarHBondContact O-CG 3.43Å; A123-E127 PolarHBondContact O-N 3.22Å; L124-E127 CarbonylContact O-C 3.57Å; L124-E127 PolarHBondContact O-N 2.76Å; S125-E127 VanDerWaalsContact C-N 3.32Å
128G88.4Confident87.1Confident60 Ų6073.4 Ų73.462%0.61941%0.405SS*.THydrogen-bonded Turntrans8812.3177.800000115L124 S125 S126L124-G128 PolarHBondContact O-N 3.28Å; S125-G128 PolarHBondContact O-N 3.41Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S126-G128 PolarHBondContact O-N 3.11Å
129V87.9Confident85.3Confident30 Ų3079.6 Ų79.618%0.18243%0.426CS..  trans-81.3120.9176.2-177.90000110.2L92 L124 L131L92-V129 HydrophobicContact CD2-CG1 3.7Å; L124-V129 HydrophobicContact CB-CB 4.18Å; L124-V129 HydrophobicContact CD2-CG2 4.46Å; L124-V129 WeakPolarHBondContact O-CB 3.36Å; L124-V129 PolarHBondContact O-N 2.81Å; V129-L131 HydrophobicContact CG1-CD2 4.08Å; V129-L131 HydrophobicContact CG1-CG 4.26Å; V129-L131 PolarHBondContact O-N 3.21Å
130V86.2Confident83.1Confident102 Ų10286 Ų8662%0.61845%0.453SS*.  trans-86.3107.8179.2-177.10000110.7K132V130-K132 HydrophobicContact CG1-CG 4.2Å
131L87.3Confident82.6Confident27 Ų2790.3 Ų90.314%0.14148%0.476CS..  trans-104.9106.3174.4-61.2177.3000110.2F72 F76 I79 F96 V121 L124 V129F72-L131 HydrophobicContact CE2-CD2 3.98Å; F72-L131 HydrophobicContact CZ-CD2 4.36Å; F76-L131 HydrophobicContact CD1-CB 3.85Å; F76-L131 HydrophobicContact CE1-CB 3.7Å; F76-L131 HydrophobicContact CE1-CD1 4.45Å; F76-L131 HydrophobicContact CE2-CD1 4.29Å; F76-L131 HydrophobicContact CG-CB 4.5Å; F76-L131 HydrophobicContact CZ-CB 4.22Å; F76-L131 HydrophobicContact CZ-CD1 4.13Å; I79-L131 HydrophobicContact CD1-CD2 4.09Å; F96-L131 HydrophobicContact CD2-CD1 4.19Å; F96-L131 HydrophobicContact CE2-CD1 4.35Å; V121-L131 HydrophobicContact CG1-CD1 4.4Å; L124-L131 HydrophobicContact CB-CD1 4.48Å; L124-L131 HydrophobicContact CD1-CD1 4.28Å; V129-L131 HydrophobicContact CG1-CD2 4.08Å; V129-L131 HydrophobicContact CG1-CG 4.26Å; V129-L131 PolarHBondContact O-N 3.21Å
132K86.1Confident82Confident111 Ų11193.6 Ų93.648%0.48349%0.492SS..  trans-93.9123.7176.8-67.6-175179.6-176.60110.5V130 Q137V130-K132 HydrophobicContact CG1-CG 4.2Å; K132-Q137 HydrophobicContact CB-CG 4.25Å; K132-Q137 PolarHBondContact O-NE2 3.41Å; K132-Q137 VanDerWaalsContact O-NE2 3.15Å
133K88.5Confident81.4Confident89 Ų8993.4 Ų93.439%0.38749%0.49SS..  trans-66.8146.6176.9-62-173175.8-146.30111E75 F76 K135 D136 Q137E75-K133 HydrophobicContact CG-CG 4.46Å; E75-K133 CarbonylContact O-C 3.59Å; E75-K133 WeakPolarHBondContact O-CA 3.44Å; E75-K133 WeakPolarHBondContact OE1-CD 3.35Å; E75-K133 WeakPolarHBondContact OE1-CE 3.29Å; E75-K133 IonicContact OE1-NZ 2.81Å; E75-K133 PolarHBondContact OE1-NZ 2.97Å; F76-K133 HydrophobicContact CD1-CG 4.27Å; F76-K133 HydrophobicContact CE1-CG 4.01Å; K133-K135 PolarHBondContact O-N 3.41Å; K133-D136 PolarHBondContact O-N 3.35Å; K133-D136 VanDerWaalsContact O-N 3.11Å; K133-Q137 PolarHBondContact O-N 3.05Å
134V86.5Confident80.6Confident43 Ų4397.5 Ų97.526%0.26151%0.508SS..Hα-helixtrans-59-32.9179177.40000111.9E75 D136 Q137 K138E75-V134 PolarHBondContact O-N 3.43Å; V134-D136 VanDerWaalsContact C-N 3.32Å; V134-D136 PolarHBondContact O-N 3.04Å; V134-Q137 PolarHBondContact O-N 3.42Å; V134-K138 PolarHBondContact O-N 2.89Å
135K82.3Confident79.9Confident160 Ų160103.3 Ų103.370%0.69654%0.538SS*.Hα-helixtrans-62.8-39.8178.5-66.9-176.8-179.6177.30112.1K133 K138K133-K135 PolarHBondContact O-N 3.41Å; K135-K138 PolarHBondContact O-N 3.39Å
136D79.5Confident79.1Confident104 Ų104105.9 Ų105.956%0.55654%0.544SS*.Hα-helixtrans-75.9-29.7-177.6-53.2-26.2000111.3K133 V134 K138 H139K133-D136 PolarHBondContact O-N 3.35Å; K133-D136 VanDerWaalsContact O-N 3.11Å; V134-D136 VanDerWaalsContact C-N 3.32Å; V134-D136 PolarHBondContact O-N 3.04Å; D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 PolarHBondContact O-N 3.12Å; D136-H139 PolarHBondContact O-N 3.41Å
137Q67.1Low78.2Confident81 Ų81105.9 Ų105.938%0.37953%0.53SS..Hα-helixtrans-68.5-24.7176.6-66.3178.820.400113.3K132 K133 V134 H139K132-Q137 HydrophobicContact CB-CG 4.25Å; K132-Q137 PolarHBondContact O-NE2 3.41Å; K132-Q137 VanDerWaalsContact O-NE2 3.15Å; K133-Q137 PolarHBondContact O-N 3.05Å; V134-Q137 PolarHBondContact O-N 3.42Å; Q137-H139 VanDerWaalsContact C-N 3.26Å; Q137-H139 PolarHBondContact O-N 3.49Å
138K61.9Low77.2Confident164 Ų164105.1 Ų105.171%0.71353%0.529SS*.THydrogen-bonded Turntrans-78.7-5.8-179.3-71.9-173.7178.2-173.80114.3V134 K135 D136V134-K138 PolarHBondContact O-N 2.89Å; K135-K138 PolarHBondContact O-N 3.39Å; D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 PolarHBondContact O-N 3.12Å
139H56.2Low76.3Confident174 Ų174108.8 Ų108.881%0.80652%0.521SS*.THydrogen-bonded Turntrans-110.918.9-178.2-72.958.2000112.9D136 Q137D136-H139 PolarHBondContact O-N 3.41Å; Q137-H139 VanDerWaalsContact C-N 3.26Å; Q137-H139 PolarHBondContact O-N 3.49Å
140Q46.1Very low75.2Confident221 Ų221116 Ų116100%1.03355%0.552SS**  trans-120.30170.4-68.3-173-16.300109.5

Retrieved 140 of 140 residues in 38.8 ms (Link to these results)

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