A0A087YPA6_POEFO Loading...

Sorting nexin 24

AlphaFold DB , UniProt , Accession A0A087YPA6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 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
1M51.2Low82.4Confident239 Ų23975.9 Ų75.9100%1.17739%0.389SS*.  0113.80-83.6-82.7162.700107.1
2H59.7Low82.7Confident63 Ų6377.3 Ų77.329%0.29239%0.386SS..  trans-65.3139.9176.2-71.7-65.1000110.3I4 I89 N92 E93H2-I4 PolarHBondContact O-N 3.49Å; H2-I89 HydrophobicContact CB-CG2 3.89Å; H2-I89 PolarHBondContact CD2-O 3.14Å; H2-I89 PolarHBondContact NE2-O 2.95Å; H2-I89 VanDerWaalsContact NE2-O 3.14Å; H2-N92 PolarHBondContact CE1-O 3.44Å; H2-N92 PolarHBondContact NE2-O 2.99Å; H2-E93 PolarHBondContact CE1-O 3.19Å; H2-E93 VanDerWaalsContact CE1-O 3.22Å
3P75.4Confident82.6Confident77 Ų7777.4 Ų77.450%0.540%0.398SS..SBendtrans-75.712.4176.733.3-36.1000113N32P3-N32 WeakPolarHBondContact CB-OD1 3.49Å; P3-N32 PolarHBondContact O-N 3.16Å
4I84.7Confident82.2Confident18 Ų1877.6 Ų77.69%0.09240%0.397CS..EExtended strand (participates in β ladder)trans-111.3118.8-175-57.6174000108.7H2 V29 L30 V31 I89 L95 L100H2-I4 PolarHBondContact O-N 3.49Å; I4-V29 HydrophobicContact CG2-CG1 4.11Å; I4-L30 CarbonylContact C-O 3.54Å; I4-L30 VanDerWaalsContact CA-O 3.3Å; I4-L30 WeakPolarHBondContact CA-O 3.46Å; I4-V31 HydrophobicContact CG1-CB 4.45Å; I4-V31 HydrophobicContact CG1-CG1 4.02Å; I4-V31 HydrophobicContact CG1-CG2 3.97Å; I4-V31 HydrophobicContact CG2-CG2 4.19Å; I4-I89 HydrophobicContact CB-CD1 4.48Å; I4-I89 HydrophobicContact CG2-CD1 3.81Å; I4-L95 HydrophobicContact CD1-CD1 3.56Å; I4-L100 HydrophobicContact CD1-CD2 4.08Å
5R88.7Confident81.1Confident192 Ų19280.8 Ų80.873%0.72542%0.415SS*.EExtended strand (participates in β ladder)trans-113.5152.8166.9-72.5-179.7163.6-157.4-4.1109.2L30R5-L30 HydrophobicContact CB-CB 4.14Å; R5-L30 HydrophobicContact CB-CD2 4.29Å; R5-L30 PolarHBondContact N-O 2.87Å; R5-L30 PolarHBondContact O-N 3.02Å
6L91.4Very high79.8Confident16 Ų1679.3 Ų79.38%0.08441%0.413CS..EExtended strand (participates in β ladder)trans-147.9150.4-17956.5148.4000112.1D28 L85 Q86 I89L6-D28 CarbonylContact C-O 3.49Å; L6-D28 WeakPolarHBondContact CA-O 3.45Å; L6-L85 HydrophobicContact CD1-CB 3.15Å; L6-L85 HydrophobicContact CD1-CD1 3.98Å; L6-L85 HydrophobicContact CD1-CG 4.23Å; L6-Q86 HydrophobicContact CD1-CG 3.92Å; L6-Q86 HydrophobicContact CD2-CG 4.14Å; L6-Q86 HydrophobicContact CG-CG 3.77Å; L6-Q86 PolarHBondContact O-NE2 2.84Å; L6-I89 HydrophobicContact CD1-CD1 4.46Å; L6-I89 HydrophobicContact CD2-CD1 3.05Å; L6-I89 HydrophobicContact CD2-CG1 4.32Å; L6-I89 HydrophobicContact CG-CD1 4.33Å
7S92Very high78.6Confident44 Ų4482.1 Ų82.131%0.30844%0.441SS..EExtended strand (participates in β ladder)trans-144.4159.1169.558.90000111P9 I27 D28 E82S7-P9 WeakPolarHBondContact O-CD 3.43Å; S7-I27 CarbonylContact O-C 3.56Å; S7-I27 WeakPolarHBondContact O-CA 3.49Å; S7-D28 PolarHBondContact N-O 3.29Å; S7-D28 PolarHBondContact O-N 2.88Å; S7-E82 WeakPolarHBondContact CA-OE1 3.2Å; S7-E82 VanDerWaalsContact CB-OE1 3.23Å; S7-E82 WeakPolarHBondContact CB-OE1 3.23Å
8I93.2Very high77.6Confident0 Ų084.7 Ų84.70%046%0.461CS..EExtended strand (participates in β ladder)trans-116.178.9171.7-55.5-174.2000107.6S10 F25 K26 I27 F45 R78 L81 E82 L85I8-S10 VanDerWaalsContact C-N 3.27Å; I8-S10 PolarHBondContact O-N 3.38Å; I8-F25 HydrophobicContact CG2-CB 4.01Å; I8-F25 HydrophobicContact CG2-CD1 4.25Å; I8-K26 WeakPolarHBondContact CA-O 3.33Å; I8-K26 VanDerWaalsContact CG2-O 3.26Å; I8-K26 WeakPolarHBondContact CG2-O 3.21Å; I8-I27 HydrophobicContact CD1-CG1 4.4Å; I8-I27 HydrophobicContact CG1-CG1 4.23Å; I8-I27 HydrophobicContact CG1-CG2 4.35Å; I8-F45 HydrophobicContact CD1-CE1 4.24Å; I8-F45 HydrophobicContact CD1-CZ 4.24Å; I8-R78 HydrophobicContact CB-CG 4.12Å; I8-R78 HydrophobicContact CG2-CG 3.57Å; I8-R78 WeakPolarHBondContact O-CD 3.22Å; I8-R78 VanDerWaalsContact O-CZ 3.31Å; I8-R78 PolarHBondContact O-NE 3.39Å; I8-R78 PolarHBondContact O-NH1 2.9Å; I8-L81 HydrophobicContact CD1-CB 3.77Å; I8-E82 HydrophobicContact CB-CB 4.16Å; I8-E82 HydrophobicContact CD1-CB 4.02Å; I8-E82 HydrophobicContact CG1-CB 3.9Å; I8-E82 HydrophobicContact CG1-CG 4.42Å; I8-E82 PolarHBondContact N-OE1 2.89Å; I8-L85 HydrophobicContact CD1-CD1 4.34Å
9P90.5Very high76.8Confident68 Ų6886.8 Ų86.844%0.44247%0.467SS..EExtended strand (participates in β ladder)trans-66.1-26.1-169.827.1-39.1000114.2S7 K26 D28S7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-K26 VanDerWaalsContact CD-O 3.31Å; P9-K26 WeakPolarHBondContact CD-O 3.48Å; P9-D28 WeakPolarHBondContact CG-OD2 3.36Å
10S89.3Confident76.3Confident55 Ų5592.2 Ų92.239%0.38549%0.486SS..EExtended strand (participates in β ladder)trans-154.3163.4-174660000113.6I8 K26I8-S10 VanDerWaalsContact C-N 3.27Å; I8-S10 PolarHBondContact O-N 3.38Å; S10-K26 PolarHBondContact O-N 2.86Å
11F90Very high76.1Confident63 Ų6390 Ų9028%0.27649%0.486SS..EExtended strand (participates in β ladder)trans-136.3152.316965.8-87.8000109.6T23 V24 F25 L74 E75 R78F11-T23 HydrophobicContact CB-CG2 4.18Å; F11-T23 HydrophobicContact CD2-CG2 3.87Å; F11-T23 HydrophobicContact CG-CG2 4.4Å; F11-V24 CarbonylContact C-O 3.51Å; F11-V24 WeakPolarHBondContact CA-O 3.33Å; F11-V24 WeakPolarHBondContact CB-O 3.47Å; F11-F25 HydrophobicContact CB-CD1 3.64Å; F11-F25 HydrophobicContact CB-CE1 3.86Å; F11-F25 HydrophobicContact CB-CG 4.34Å; F11-F25 HydrophobicContact CG-CE1 4.31Å; F11-L74 HydrophobicContact CD2-CB 4.45Å; F11-L74 HydrophobicContact CD2-CD1 4.39Å; F11-L74 HydrophobicContact CE1-CB 4.37Å; F11-L74 HydrophobicContact CE2-CB 3.79Å; F11-L74 HydrophobicContact CE2-CD1 3.75Å; F11-L74 HydrophobicContact CE2-CG 4.42Å; F11-L74 HydrophobicContact CZ-CB 3.74Å; F11-L74 HydrophobicContact CZ-CD1 4.44Å; F11-E75 WeakPolarHBondContact CE1-OE2 3.48Å; F11-R78 HydrophobicContact CD1-CB 4.36Å; F11-R78 HydrophobicContact CD1-CG 4.38Å
12R86.3Confident77.5Confident93 Ų9380.9 Ų80.935%0.35144%0.44SS..EExtended strand (participates in β ladder)trans-127.9147.8173.768171.3-175.4-822.1110.9E14 T23 V24 E39R12-E14 IonicContact CZ-OE2 2.71Å; R12-E14 IonicContact NE-OE2 3.31Å; R12-E14 PolarHBondContact NE-OE2 2.84Å; R12-E14 VanDerWaalsContact NE-OE2 3.13Å; R12-E14 IonicContact NH2-OE2 3.13Å; R12-T23 WeakPolarHBondContact O-CA 3.22Å; R12-V24 HydrophobicContact CG-CB 4.14Å; R12-V24 PolarHBondContact N-O 3.45Å; R12-V24 PolarHBondContact O-N 3.3Å; R12-E39 IonicContact CZ-OE1 3.51Å; R12-E39 IonicContact CZ-OE2 3.62Å; R12-E39 VanDerWaalsContact CZ-OE2 3.31Å; R12-E39 IonicContact NH1-OE1 2.68Å; R12-E39 PolarHBondContact NH1-OE1 3.34Å; R12-E39 IonicContact NH1-OE2 3.74Å; R12-E39 PolarHBondContact NH1-OE2 3.17Å; R12-E39 VanDerWaalsContact NH1-OE2 3.09Å; R12-E39 IonicContact NH2-OE1 2.94Å; R12-E39 IonicContact NH2-OE2 3.91Å; R12-E39 PolarHBondContact NH2-OE2 3.17Å
13S81.8Confident78.7Confident78 Ų7879.5 Ų79.555%0.54544%0.435SS..EExtended strand (participates in β ladder)trans-94.1115.8166.253.60000108.8N15S13-N15 PolarHBondContact O-OD1 3.33Å
14E77.1Confident79.4Confident81 Ų8176.1 Ų76.138%0.37941%0.414SS..EExtended strand (participates in β ladder)trans-88.5112.3172.3-158.9103.1-133.800107.9R12 G21 F22R12-E14 IonicContact CZ-OE2 2.71Å; R12-E14 IonicContact NE-OE2 3.31Å; R12-E14 PolarHBondContact NE-OE2 2.84Å; R12-E14 VanDerWaalsContact NE-OE2 3.13Å; R12-E14 IonicContact NH2-OE2 3.13Å; E14-G21 CarbonylContact O-C 3.39Å; E14-G21 WeakPolarHBondContact O-CA 3.49Å; E14-F22 HydrophobicContact CB-CD1 4.48Å; E14-F22 HydrophobicContact CB-CD2 3.9Å; E14-F22 HydrophobicContact CB-CE1 4.12Å; E14-F22 HydrophobicContact CB-CE2 3.46Å; E14-F22 VanDerWaalsContact CB-CE2 3.46Å; E14-F22 HydrophobicContact CB-CG 4.38Å; E14-F22 HydrophobicContact CB-CZ 3.59Å; E14-F22 HydrophobicContact CG-CE1 4.2Å; E14-F22 HydrophobicContact CG-CE2 3.87Å; E14-F22 HydrophobicContact CG-CZ 3.56Å; E14-F22 PolarHBondContact N-O 3.45Å; E14-F22 PolarHBondContact O-N 2.87Å
15N65Low79.6Confident125 Ų12575.3 Ų75.367%0.66841%0.409SS*.  trans-106.895.4-178.8-54.91.1000107.2S13S13-N15 PolarHBondContact O-OD1 3.33Å
16S60.3Low79.9Confident56 Ų5669.5 Ų69.539%0.39239%0.389SS..  trans-78.5140.9169.5179.20000109V18S16-V18 PolarHBondContact O-N 3.06Å; S16-V18 VanDerWaalsContact O-N 3.16Å; S16-V18 PolarHBondContact OG-N 3.4Å
17S59.5Low80Confident127 Ų12768.7 Ų68.789%0.88839%0.385SS*.SBendtrans-64.3-15.5175.753.10000113.2
18V60.7Low80Confident130 Ų13067.9 Ų67.979%0.78838%0.377SS*.SBendtrans-112.9-21.4-174.4-168.80000112.5S16S16-V18 PolarHBondContact O-N 3.06Å; S16-V18 VanDerWaalsContact O-N 3.16Å; S16-V18 PolarHBondContact OG-N 3.4Å
19E63.2Low80Confident124 Ų12467.9 Ų67.958%0.57938%0.377SS*.SBendtrans-122146.4-177.5-66.5-172.7171.700112.6G21E19-G21 PolarHBondContact O-N 2.89Å; E19-G21 VanDerWaalsContact O-N 3.09Å
20K65.4Low79.9Confident195 Ų19567.7 Ų67.785%0.84837%0.372SS*.  trans-55.8116.6174.3-156.7173.5-171.4173.70108.9
21G71.7Confident79.8Confident47 Ų4765.5 Ų65.549%0.48536%0.357SS..  trans-52.8140-172.700000113.3E14 E19E14-G21 CarbonylContact O-C 3.39Å; E14-G21 WeakPolarHBondContact O-CA 3.49Å; E19-G21 PolarHBondContact O-N 2.89Å; E19-G21 VanDerWaalsContact O-N 3.09Å
22F80.7Confident79.4Confident47 Ų4767 Ų6721%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-119.3148.9-177.556.6-94.5000111.6E14 V24 R41E14-F22 HydrophobicContact CB-CD1 4.48Å; E14-F22 HydrophobicContact CB-CD2 3.9Å; E14-F22 HydrophobicContact CB-CE1 4.12Å; E14-F22 HydrophobicContact CB-CE2 3.46Å; E14-F22 VanDerWaalsContact CB-CE2 3.46Å; E14-F22 HydrophobicContact CB-CG 4.38Å; E14-F22 HydrophobicContact CB-CZ 3.59Å; E14-F22 HydrophobicContact CG-CE1 4.2Å; E14-F22 HydrophobicContact CG-CE2 3.87Å; E14-F22 HydrophobicContact CG-CZ 3.56Å; E14-F22 PolarHBondContact N-O 3.45Å; E14-F22 PolarHBondContact O-N 2.87Å; F22-V24 HydrophobicContact CD2-CG2 3.6Å; F22-V24 HydrophobicContact CE2-CG2 3.57Å; F22-R41 HydrophobicContact CD2-CG 4.4Å; F22-R41 VanDerWaalsContact CE2-NH2 3.28Å
23T85Confident79.2Confident33 Ų3365.9 Ų65.920%0.20239%0.385CS..EExtended strand (participates in β ladder)trans-95.9129176.9-47.10000110.3F11 R12 F25F11-T23 HydrophobicContact CB-CG2 4.18Å; F11-T23 HydrophobicContact CD2-CG2 3.87Å; F11-T23 HydrophobicContact CG-CG2 4.4Å; R12-T23 WeakPolarHBondContact O-CA 3.22Å; T23-F25 HydrophobicContact CG2-CE2 4.15Å; T23-F25 HydrophobicContact CG2-CZ 4.04Å
24V89.9Confident79.2Confident7 Ų771 Ų714%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-112.2132.5175.2-175.20000108.8F11 R12 F22 E39 R41F11-V24 CarbonylContact C-O 3.51Å; F11-V24 WeakPolarHBondContact CA-O 3.33Å; F11-V24 WeakPolarHBondContact CB-O 3.47Å; R12-V24 HydrophobicContact CG-CB 4.14Å; R12-V24 PolarHBondContact N-O 3.45Å; R12-V24 PolarHBondContact O-N 3.3Å; F22-V24 HydrophobicContact CD2-CG2 3.6Å; F22-V24 HydrophobicContact CE2-CG2 3.57Å; V24-E39 HydrophobicContact CG1-CB 3.74Å; V24-E39 HydrophobicContact CG1-CG 4.48Å; V24-R41 HydrophobicContact CG2-CG 4.31Å
25F90.8Very high79.8Confident1 Ų172.6 Ų72.60%0.00440%0.403CS..EExtended strand (participates in β ladder)trans-101.2130.1175.7-62.4-88.1000109.1I8 F11 T23 E39 K40 F45 R77 R78 L81I8-F25 HydrophobicContact CG2-CB 4.01Å; I8-F25 HydrophobicContact CG2-CD1 4.25Å; F11-F25 HydrophobicContact CB-CD1 3.64Å; F11-F25 HydrophobicContact CB-CE1 3.86Å; F11-F25 HydrophobicContact CB-CG 4.34Å; F11-F25 HydrophobicContact CG-CE1 4.31Å; T23-F25 HydrophobicContact CG2-CE2 4.15Å; T23-F25 HydrophobicContact CG2-CZ 4.04Å; F25-E39 WeakPolarHBondContact O-CA 3.3Å; F25-K40 PolarHBondContact N-O 2.93Å; F25-K40 PolarHBondContact O-N 2.89Å; F25-F45 HydrophobicContact CB-CE2 4.23Å; F25-F45 HydrophobicContact CB-CZ 4.28Å; F25-F45 HydrophobicContact CD2-CE2 4.13Å; F25-F45 HydrophobicContact CG-CE2 4.45Å; F25-R77 HydrophobicContact CZ-CG 4.29Å; F25-R78 HydrophobicContact CD1-CB 4.31Å; F25-R78 HydrophobicContact CD1-CG 4.17Å; F25-R78 HydrophobicContact CE1-CB 4.08Å; F25-R78 HydrophobicContact CE1-CG 4.43Å; F25-L81 HydrophobicContact CD1-CD1 4.25Å; F25-L81 HydrophobicContact CD2-CD1 4Å; F25-L81 HydrophobicContact CE1-CD1 4.17Å; F25-L81 HydrophobicContact CE2-CD1 3.92Å; F25-L81 HydrophobicContact CG-CD1 4.17Å; F25-L81 HydrophobicContact CZ-CD1 4.01Å
26K93.3Very high81Confident69 Ų6969.2 Ų69.230%0.338%0.383SS..EExtended strand (participates in β ladder)trans-89.2121.4172.5-176.1-176.1176.5-168.80108.2I8 P9 S10 D28 S37I8-K26 WeakPolarHBondContact CA-O 3.33Å; I8-K26 VanDerWaalsContact CG2-O 3.26Å; I8-K26 WeakPolarHBondContact CG2-O 3.21Å; P9-K26 VanDerWaalsContact CD-O 3.31Å; P9-K26 WeakPolarHBondContact CD-O 3.48Å; S10-K26 PolarHBondContact O-N 2.86Å; K26-D28 VanDerWaalsContact CE-OD1 3.3Å; K26-D28 WeakPolarHBondContact CE-OD1 3.3Å; K26-D28 IonicContact NZ-OD1 3.91Å; K26-S37 VanDerWaalsContact CE-CB 3.48Å; K26-S37 WeakPolarHBondContact CE-OG 3.48Å
27I94.1Very high82.4Confident0 Ų069.6 Ų69.60%039%0.386CS..EExtended strand (participates in β ladder)trans-108.9121.5179.3-47.3172.8000107.3S7 I8 V29 S37 V38 K40 F45 L85 F102 L103S7-I27 CarbonylContact O-C 3.56Å; S7-I27 WeakPolarHBondContact O-CA 3.49Å; I8-I27 HydrophobicContact CD1-CG1 4.4Å; I8-I27 HydrophobicContact CG1-CG1 4.23Å; I8-I27 HydrophobicContact CG1-CG2 4.35Å; I27-V29 HydrophobicContact CG2-CG2 3.94Å; I27-S37 CarbonylContact O-C 3.58Å; I27-S37 VanDerWaalsContact O-CA 3.28Å; I27-S37 WeakPolarHBondContact O-CA 3.45Å; I27-V38 PolarHBondContact N-O 3.23Å; I27-V38 PolarHBondContact O-N 3.19Å; I27-K40 HydrophobicContact CD1-CB 4.03Å; I27-K40 HydrophobicContact CD1-CG 3.78Å; I27-F45 HydrophobicContact CD1-CE1 3.99Å; I27-F45 HydrophobicContact CD1-CZ 3.61Å; I27-F45 HydrophobicContact CG1-CZ 4.17Å; I27-L85 HydrophobicContact CD1-CD1 4.18Å; I27-L85 HydrophobicContact CG2-CD1 4.31Å; I27-F102 HydrophobicContact CD1-CE1 3.93Å; I27-F102 HydrophobicContact CD1-CZ 4.35Å; I27-L103 HydrophobicContact CG2-CD2 4.39Å
28D92.9Very high83.9Confident27 Ų2764 Ų6414%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-95.9125.5171.5-75.9-6.6000108.6L6 S7 P9 K26 L35 S37L6-D28 CarbonylContact C-O 3.49Å; L6-D28 WeakPolarHBondContact CA-O 3.45Å; S7-D28 PolarHBondContact N-O 3.29Å; S7-D28 PolarHBondContact O-N 2.88Å; P9-D28 WeakPolarHBondContact CG-OD2 3.36Å; K26-D28 VanDerWaalsContact CE-OD1 3.3Å; K26-D28 WeakPolarHBondContact CE-OD1 3.3Å; K26-D28 IonicContact NZ-OD1 3.91Å; D28-L35 HydrophobicContact CB-CD1 4.15Å; D28-S37 WeakPolarHBondContact OD1-CB 3.45Å; D28-S37 PolarHBondContact OD1-OG 2.91Å
29V91.9Very high85.4Confident0 Ų062.4 Ų62.40%033%0.33CS..EExtended strand (participates in β ladder)trans-120.8120.2-176.5-169.60000108.2I4 I27 V31 L35 H36 V38 L103 V105I4-V29 HydrophobicContact CG2-CG1 4.11Å; I27-V29 HydrophobicContact CG2-CG2 3.94Å; V29-V31 HydrophobicContact CG1-CG2 3.66Å; V29-L35 WeakPolarHBondContact O-CA 3.3Å; V29-H36 PolarHBondContact N-O 3.15Å; V29-H36 PolarHBondContact O-N 2.73Å; V29-V38 HydrophobicContact CG2-CG2 4.39Å; V29-L103 HydrophobicContact CG1-CD1 4.37Å; V29-L103 HydrophobicContact CG2-CB 4.38Å; V29-L103 HydrophobicContact CG2-CD2 4Å; V29-V105 HydrophobicContact CG1-CG2 4.24Å
30L89.8Confident86.7Confident63 Ų6357.9 Ų57.933%0.3331%0.308SS..EExtended strand (participates in β ladder)trans-104.6111175.717973000108.7I4 R5 R34 L35I4-L30 CarbonylContact C-O 3.54Å; I4-L30 VanDerWaalsContact CA-O 3.3Å; I4-L30 WeakPolarHBondContact CA-O 3.46Å; R5-L30 HydrophobicContact CB-CB 4.14Å; R5-L30 HydrophobicContact CB-CD2 4.29Å; R5-L30 PolarHBondContact N-O 2.87Å; R5-L30 PolarHBondContact O-N 3.02Å; L30-R34 CarbonylContact C-O 3.07Å; L30-R34 WeakPolarHBondContact CA-O 3.26Å; L30-L35 HydrophobicContact CB-CD1 4.18Å; L30-L35 HydrophobicContact CD1-CB 4.18Å
31V87Confident87.9Confident10 Ų1053.7 Ų53.76%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-124.2122.7178.5-173.30000109.4I4 V29 G33 R34 V105 F108I4-V31 HydrophobicContact CG1-CB 4.45Å; I4-V31 HydrophobicContact CG1-CG1 4.02Å; I4-V31 HydrophobicContact CG1-CG2 3.97Å; I4-V31 HydrophobicContact CG2-CG2 4.19Å; V29-V31 HydrophobicContact CG1-CG2 3.66Å; V31-G33 PolarHBondContact O-N 2.98Å; V31-G33 VanDerWaalsContact O-N 3.12Å; V31-R34 PolarHBondContact N-O 3.41Å; V31-R34 WeakPolarHBondContact O-CB 3.15Å; V31-R34 PolarHBondContact O-N 3.23Å; V31-V105 HydrophobicContact CG1-CG1 4.33Å; V31-V105 HydrophobicContact CG2-CG1 4.36Å; V31-V105 HydrophobicContact CG2-CG2 3.83Å; V31-F108 HydrophobicContact CG1-CE2 4.28Å
32N80.7Confident88.6Confident93 Ų9353 Ų5350%0.49727%0.27SS..THydrogen-bonded Turntrans51.637.5176.5-61.4-25000113.5P3 R34 F108P3-N32 WeakPolarHBondContact CB-OD1 3.49Å; P3-N32 PolarHBondContact O-N 3.16Å; N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3Å; N32-F108 WeakPolarHBondContact ND2-CE2 3.29Å; N32-F108 WeakPolarHBondContact ND2-CZ 3.49Å
33G81.6Confident88.9Confident70 Ų7054.4 Ų54.472%0.72229%0.286SS*.THydrogen-bonded Turntrans79.9-0.8-177.800000115.4V31V31-G33 PolarHBondContact O-N 2.98Å; V31-G33 VanDerWaalsContact O-N 3.12Å
34R82.4Confident89.1Confident186 Ų18655.9 Ų55.970%0.70229%0.291SS*.EExtended strand (participates in β ladder)trans-97.3125.6173.1-63.5-176.8177.1178.8-0.6110L30 V31 N32L30-R34 CarbonylContact C-O 3.07Å; L30-R34 WeakPolarHBondContact CA-O 3.26Å; V31-R34 PolarHBondContact N-O 3.41Å; V31-R34 WeakPolarHBondContact O-CB 3.15Å; V31-R34 PolarHBondContact O-N 3.23Å; N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3Å
35L89.2Confident89.1Confident114 Ų11455.6 Ų55.660%0.59729%0.289SS*.EExtended strand (participates in β ladder)trans-100.3126.1175.5-176.867000109.3D28 V29 L30D28-L35 HydrophobicContact CB-CD1 4.15Å; V29-L35 WeakPolarHBondContact O-CA 3.3Å; L30-L35 HydrophobicContact CB-CD1 4.18Å; L30-L35 HydrophobicContact CD1-CB 4.18Å
36H90.8Very high88.8Confident55 Ų5558.5 Ų58.526%0.25530%0.302SS..EExtended strand (participates in β ladder)trans-134.1153170.367.1-89.2000111V29 L103V29-H36 PolarHBondContact N-O 3.15Å; V29-H36 PolarHBondContact O-N 2.73Å; H36-L103 PolarHBondContact NE2-O 3.19Å
37S90.3Very high88.5Confident64 Ų6457.6 Ų57.645%0.44831%0.307SS..EExtended strand (participates in β ladder)trans-106.4136.7177.9-58.40000110.6K26 I27 D28K26-S37 VanDerWaalsContact CE-CB 3.48Å; K26-S37 WeakPolarHBondContact CE-OG 3.48Å; I27-S37 CarbonylContact O-C 3.58Å; I27-S37 VanDerWaalsContact O-CA 3.28Å; I27-S37 WeakPolarHBondContact O-CA 3.45Å; D28-S37 WeakPolarHBondContact OD1-CB 3.45Å; D28-S37 PolarHBondContact OD1-OG 2.91Å
38V90.6Very high88.2Confident10 Ų1057.8 Ų57.86%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-123.7138.7175.8-171.80000108.8I27 V29 K40 L103 N104I27-V38 PolarHBondContact N-O 3.23Å; I27-V38 PolarHBondContact O-N 3.19Å; V29-V38 HydrophobicContact CG2-CG2 4.39Å; V38-K40 HydrophobicContact CG1-CD 4.34Å; V38-K40 HydrophobicContact CG1-CG 4.07Å; V38-L103 WeakPolarHBondContact CG2-O 3.44Å; V38-N104 HydrophobicContact CG2-CB 4.07Å
39E91.9Very high87.8Confident95 Ų9557.9 Ų57.944%0.44431%0.308SS..EExtended strand (participates in β ladder)trans-109.8127.7179.3-62.2-168.415400110.4R12 V24 F25R12-E39 IonicContact CZ-OE1 3.51Å; R12-E39 IonicContact CZ-OE2 3.62Å; R12-E39 VanDerWaalsContact CZ-OE2 3.31Å; R12-E39 IonicContact NH1-OE1 2.68Å; R12-E39 PolarHBondContact NH1-OE1 3.34Å; R12-E39 IonicContact NH1-OE2 3.74Å; R12-E39 PolarHBondContact NH1-OE2 3.17Å; R12-E39 VanDerWaalsContact NH1-OE2 3.09Å; R12-E39 IonicContact NH2-OE1 2.94Å; R12-E39 IonicContact NH2-OE2 3.91Å; R12-E39 PolarHBondContact NH2-OE2 3.17Å; V24-E39 HydrophobicContact CG1-CB 3.74Å; V24-E39 HydrophobicContact CG1-CG 4.48Å; F25-E39 WeakPolarHBondContact O-CA 3.3Å
40K91.7Very high87.4Confident30 Ų3064.7 Ų64.713%0.1334%0.338CS..EExtended strand (participates in β ladder)trans-137.2138.1-175.6-65-67.2172.9-175.30112.3F25 I27 V38 E44 F45 F102F25-K40 PolarHBondContact N-O 2.93Å; F25-K40 PolarHBondContact O-N 2.89Å; I27-K40 HydrophobicContact CD1-CB 4.03Å; I27-K40 HydrophobicContact CD1-CG 3.78Å; V38-K40 HydrophobicContact CG1-CD 4.34Å; V38-K40 HydrophobicContact CG1-CG 4.07Å; K40-E44 WeakPolarHBondContact CA-OE2 3.41Å; K40-E44 HydrophobicContact CD-CB 4.25Å; K40-E44 WeakPolarHBondContact CD-OE1 3.42Å; K40-E44 IonicContact NZ-OE1 3.31Å; K40-E44 PolarHBondContact NZ-OE1 3.38Å; K40-F45 HydrophobicContact CB-CD2 4.2Å; K40-F45 HydrophobicContact CB-CE2 3.52Å; K40-F45 HydrophobicContact CB-CZ 4Å; K40-F102 HydrophobicContact CB-CE2 4.35Å; K40-F102 HydrophobicContact CB-CZ 3.93Å; K40-F102 HydrophobicContact CD-CD2 4.21Å; K40-F102 HydrophobicContact CD-CE2 3.71Å; K40-F102 HydrophobicContact CD-CZ 3.96Å; K40-F102 VanDerWaalsContact CE-O 3.23Å; K40-F102 WeakPolarHBondContact CE-O 3.07Å; K40-F102 HydrophobicContact CG-CE1 4.09Å; K40-F102 HydrophobicContact CG-CE2 3.88Å; K40-F102 HydrophobicContact CG-CZ 3.56Å
41R90.6Very high87Confident106 Ų10665.6 Ų65.640%0.434%0.342SS..EExtended strand (participates in β ladder)trans-82.1150.9169.5-63.3-178.8-178.6175.90.3110F22 V24 S43 E44 F45F22-R41 HydrophobicContact CD2-CG 4.4Å; F22-R41 VanDerWaalsContact CE2-NH2 3.28Å; V24-R41 HydrophobicContact CG2-CG 4.31Å; R41-S43 PolarHBondContact O-N 3.48Å; R41-S43 VanDerWaalsContact O-N 3.1Å; R41-E44 HydrophobicContact CB-CG 4.45Å; R41-E44 PolarHBondContact N-OE2 2.84Å; R41-E44 WeakPolarHBondContact O-CB 3.42Å; R41-E44 PolarHBondContact O-N 3.4Å; R41-F45 VanDerWaalsContact O-CD2 3.3Å; R41-F45 WeakPolarHBondContact O-CD2 3.28Å; R41-F45 PolarHBondContact O-N 3.38Å
42Y86.2Confident86.7Confident33 Ų3365.3 Ų65.313%0.12934%0.34CS..Hα-helixtrans-52.4-36.4177.3179.3-93.4000113.5E44 F45 H46 P62 K64 R77 L81Y42-E44 PolarHBondContact O-N 2.82Å; Y42-F45 WeakPolarHBondContact O-CB 3.18Å; Y42-F45 PolarHBondContact O-N 3.39Å; Y42-H46 HydrophobicContact CE1-CB 4.46Å; Y42-H46 PolarHBondContact O-N 3.07Å; Y42-P62 PolarHBondContact OH-O 3.01Å; Y42-K64 HydrophobicContact CE1-CG 3.99Å; Y42-K64 WeakPolarHBondContact OH-CA 3.44Å; Y42-R77 HydrophobicContact CD2-CG 4.38Å; Y42-R77 HydrophobicContact CE2-CG 4.48Å; Y42-L81 HydrophobicContact CD2-CD1 4.26Å; Y42-L81 HydrophobicContact CD2-CD2 4.28Å; Y42-L81 HydrophobicContact CE2-CD2 4.25Å
43S85.9Confident86.3Confident76 Ų7667.5 Ų67.553%0.53135%0.345SS..Hα-helixtrans-58.7-33.8176.349.30000113R41 H46 A47R41-S43 PolarHBondContact O-N 3.48Å; R41-S43 VanDerWaalsContact O-N 3.1Å; S43-H46 PolarHBondContact O-N 2.96Å; S43-A47 PolarHBondContact O-N 2.79Å
44E90.6Very high85.6Confident65 Ų6572.9 Ų72.930%0.30435%0.349SS..Hα-helixtrans-71.6-40.8177.9-60.8175.279.600111.2K40 R41 Y42 H46 A47 L48 F102K40-E44 WeakPolarHBondContact CA-OE2 3.41Å; K40-E44 HydrophobicContact CD-CB 4.25Å; K40-E44 WeakPolarHBondContact CD-OE1 3.42Å; K40-E44 IonicContact NZ-OE1 3.31Å; K40-E44 PolarHBondContact NZ-OE1 3.38Å; R41-E44 HydrophobicContact CB-CG 4.45Å; R41-E44 PolarHBondContact N-OE2 2.84Å; R41-E44 WeakPolarHBondContact O-CB 3.42Å; R41-E44 PolarHBondContact O-N 3.4Å; Y42-E44 PolarHBondContact O-N 2.82Å; E44-H46 VanDerWaalsContact C-N 3.28Å; E44-H46 PolarHBondContact O-N 3.05Å; E44-A47 WeakPolarHBondContact O-CB 3.33Å; E44-A47 PolarHBondContact O-N 3.07Å; E44-L48 WeakPolarHBondContact O-CB 3.3Å; E44-L48 PolarHBondContact O-N 2.88Å; E44-F102 HydrophobicContact CB-CE2 3.88Å
45F88.9Confident84.5Confident0 Ų067.5 Ų67.50%034%0.339CS..Hα-helixtrans-59.6-41172.3-68-96.5000111.4I8 F25 I27 K40 R41 Y42 L48 H49 L81 L85 F102I8-F45 HydrophobicContact CD1-CE1 4.24Å; I8-F45 HydrophobicContact CD1-CZ 4.24Å; F25-F45 HydrophobicContact CB-CE2 4.23Å; F25-F45 HydrophobicContact CB-CZ 4.28Å; F25-F45 HydrophobicContact CD2-CE2 4.13Å; F25-F45 HydrophobicContact CG-CE2 4.45Å; I27-F45 HydrophobicContact CD1-CE1 3.99Å; I27-F45 HydrophobicContact CD1-CZ 3.61Å; I27-F45 HydrophobicContact CG1-CZ 4.17Å; K40-F45 HydrophobicContact CB-CD2 4.2Å; K40-F45 HydrophobicContact CB-CE2 3.52Å; K40-F45 HydrophobicContact CB-CZ 4Å; R41-F45 VanDerWaalsContact O-CD2 3.3Å; R41-F45 WeakPolarHBondContact O-CD2 3.28Å; R41-F45 PolarHBondContact O-N 3.38Å; Y42-F45 WeakPolarHBondContact O-CB 3.18Å; Y42-F45 PolarHBondContact O-N 3.39Å; F45-L48 WeakPolarHBondContact O-CB 3.23Å; F45-L48 PolarHBondContact O-N 3.16Å; F45-H49 WeakPolarHBondContact O-CB 3.07Å; F45-H49 PolarHBondContact O-N 3.31Å; F45-L81 HydrophobicContact CB-CD2 4.01Å; F45-L81 HydrophobicContact CD1-CB 4.43Å; F45-L81 HydrophobicContact CD1-CD1 4.42Å; F45-L81 HydrophobicContact CD1-CD2 3.79Å; F45-L81 HydrophobicContact CD1-CG 4.44Å; F45-L81 HydrophobicContact CD2-CD1 4.18Å; F45-L81 HydrophobicContact CD2-CD2 4.48Å; F45-L81 HydrophobicContact CE1-CB 4.13Å; F45-L81 HydrophobicContact CE1-CD1 4.28Å; F45-L81 HydrophobicContact CE1-CD2 4.31Å; F45-L81 HydrophobicContact CE1-CG 4.48Å; F45-L81 HydrophobicContact CE2-CD1 4.07Å; F45-L81 HydrophobicContact CG-CD1 4.35Å; F45-L81 HydrophobicContact CG-CD2 3.87Å; F45-L81 HydrophobicContact CZ-CD1 4.11Å; F45-L85 HydrophobicContact CD1-CD2 4.49Å; F45-L85 HydrophobicContact CE1-CD1 3.85Å; F45-L85 HydrophobicContact CE1-CG 4.27Å; F45-F102 HydrophobicContact CD1-CE1 4.28Å; F45-F102 AromaticContact CD1-CZ 3.81Å; F45-F102 HydrophobicContact CD1-CZ 3.81Å; F45-F102 HydrophobicContact CD2-CZ 4.23Å; F45-F102 HydrophobicContact CE1-CE1 4.2Å; F45-F102 AromaticContact CE1-CZ 3.96Å; F45-F102 HydrophobicContact CE1-CZ 3.96Å; F45-F102 HydrophobicContact CE2-CZ 4.36Å; F45-F102 AromaticContact CG-CZ 3.98Å; F45-F102 HydrophobicContact CG-CZ 3.98Å; F45-F102 HydrophobicContact CZ-CZ 4.24Å
46H84.9Confident83.2Confident62 Ų6264 Ų6429%0.28732%0.321SS..Hα-helixtrans-67.5-35.7177.2-172.6-66.4000112.2Y42 S43 E44 K50 K64Y42-H46 HydrophobicContact CE1-CB 4.46Å; Y42-H46 PolarHBondContact O-N 3.07Å; S43-H46 PolarHBondContact O-N 2.96Å; E44-H46 VanDerWaalsContact C-N 3.28Å; E44-H46 PolarHBondContact O-N 3.05Å; H46-K50 PolarHBondContact O-N 2.87Å; H46-K50 VanDerWaalsContact O-N 3.11Å; H46-K64 PolarHBondContact NE2-NZ 3.36Å; H46-K64 VanDerWaalsContact NE2-NZ 3.19Å
47A87.4Confident81.5Confident50 Ų5070.3 Ų70.341%0.41335%0.348SS..Hα-helixtrans-65.3-46.4173.900000111S43 E44 H49 K50 I51S43-A47 PolarHBondContact O-N 2.79Å; E44-A47 WeakPolarHBondContact O-CB 3.33Å; E44-A47 PolarHBondContact O-N 3.07Å; A47-H49 PolarHBondContact O-N 2.99Å; A47-K50 PolarHBondContact O-N 2.71Å; A47-I51 WeakPolarHBondContact O-CG1 3.34Å; A47-I51 PolarHBondContact O-N 3.09Å
48L87.5Confident79.8Confident5 Ų569.5 Ų69.53%0.02634%0.341CS..Hα-helixtrans-55-49.9173.9177.368.9000111E44 F45 K50 I51 L52 L85 I98 F99 F102E44-L48 WeakPolarHBondContact O-CB 3.3Å; E44-L48 PolarHBondContact O-N 2.88Å; F45-L48 WeakPolarHBondContact O-CB 3.23Å; F45-L48 PolarHBondContact O-N 3.16Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 2.79Å; L48-I51 PolarHBondContact O-N 2.84Å; L48-I51 VanDerWaalsContact O-N 3.1Å; L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CG 4.01Å; L48-L52 HydrophobicContact CD2-CD1 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.65Å; L48-L52 HydrophobicContact CG-CG 4.13Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 2.62Å; L48-L85 HydrophobicContact CD2-CD2 4.14Å; L48-I98 HydrophobicContact CD1-CG1 4.26Å; L48-I98 HydrophobicContact CD1-CG2 4.45Å; L48-F99 HydrophobicContact CD1-CD2 4.43Å; L48-F99 HydrophobicContact CD2-CD2 4Å; L48-F99 HydrophobicContact CD2-CE2 4.38Å; L48-F102 HydrophobicContact CB-CD2 4.14Å; L48-F102 HydrophobicContact CB-CE2 4.35Å; L48-F102 HydrophobicContact CD1-CB 4.01Å; L48-F102 HydrophobicContact CD1-CG 4.28Å; L48-F102 HydrophobicContact CD2-CB 4.26Å; L48-F102 HydrophobicContact CD2-CD1 3.68Å; L48-F102 HydrophobicContact CD2-CD2 4.02Å; L48-F102 HydrophobicContact CD2-CE1 3.95Å; L48-F102 HydrophobicContact CD2-CE2 4.26Å; L48-F102 HydrophobicContact CD2-CG 3.72Å; L48-F102 HydrophobicContact CD2-CZ 4.23Å; L48-F102 HydrophobicContact CG-CD2 4.46Å; L48-F102 HydrophobicContact CG-CG 4.4Å
49H84.2Confident78.3Confident29 Ų2970 Ų7013%0.13434%0.344CS..Hα-helixtrans-59.1-41.9179.1179.983.1000113.1F45 A47 I51 L52 K53 I61 Y84F45-H49 WeakPolarHBondContact O-CB 3.07Å; F45-H49 PolarHBondContact O-N 3.31Å; A47-H49 PolarHBondContact O-N 2.99Å; H49-I51 PolarHBondContact O-N 3.12Å; H49-L52 PolarHBondContact O-N 2.83Å; H49-K53 VanDerWaalsContact O-CB 3.3Å; H49-K53 WeakPolarHBondContact O-CB 3.46Å; H49-K53 PolarHBondContact O-N 2.93Å; H49-I61 HydrophobicContact CB-CD1 3.7Å; H49-Y84 AromaticContact ND1-CE2 3.62Å; H49-Y84 AromaticContact ND1-CZ 3.59Å; H49-Y84 PolarHBondContact ND1-OH 3.07Å; H49-Y84 VanDerWaalsContact ND1-OH 3.13Å
50K83.8Confident76.5Confident143 Ų14374.6 Ų74.662%0.62237%0.365SS*.Hα-helixtrans-61-34.5178-171.3179.8179.5-177.60111.9H46 A47 L48H46-K50 PolarHBondContact O-N 2.87Å; H46-K50 VanDerWaalsContact O-N 3.11Å; A47-K50 PolarHBondContact O-N 2.71Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 2.79Å
51I81.8Confident74.8Confident82 Ų8274.8 Ų74.842%0.42137%0.368SS..Hα-helixtrans-78.9-46178-58.9165.4000110A47 L48 H49 K53 K54 I98A47-I51 WeakPolarHBondContact O-CG1 3.34Å; A47-I51 PolarHBondContact O-N 3.09Å; L48-I51 PolarHBondContact O-N 2.84Å; L48-I51 VanDerWaalsContact O-N 3.1Å; H49-I51 PolarHBondContact O-N 3.12Å; I51-K53 VanDerWaalsContact C-N 3.31Å; I51-K53 PolarHBondContact O-N 2.68Å; I51-K54 WeakPolarHBondContact O-CB 3.26Å; I51-K54 PolarHBondContact O-N 2.78Å; I51-I98 HydrophobicContact CD1-CD1 4.28Å; I51-I98 HydrophobicContact CD1-CG1 4.11Å; I51-I98 HydrophobicContact CG2-CG1 4.17Å; I51-I98 HydrophobicContact CG2-CG2 4.11Å
52L78.9Confident73.3Confident3 Ų371.4 Ų71.42%0.01636%0.36CS..Hα-helixtrans-62-35.3179.6-72177.7000113.2L48 H49 K54 S55 I56 V88 P96 I98 F99L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CG 4.01Å; L48-L52 HydrophobicContact CD2-CD1 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.65Å; L48-L52 HydrophobicContact CG-CG 4.13Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 2.62Å; H49-L52 PolarHBondContact O-N 2.83Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-K54 VanDerWaalsContact O-N 3.09Å; L52-S55 WeakPolarHBondContact CA-OG 3.33Å; L52-S55 PolarHBondContact O-N 3.29Å; L52-S55 PolarHBondContact O-OG 2.81Å; L52-I56 HydrophobicContact CD2-CD1 4.16Å; L52-I56 PolarHBondContact O-N 3.43Å; L52-V88 HydrophobicContact CD1-CG1 4.37Å; L52-V88 HydrophobicContact CD1-CG2 4.42Å; L52-P96 HydrophobicContact CD2-CB 4.17Å; L52-P96 HydrophobicContact CD2-CG 3.86Å; L52-I98 HydrophobicContact CD2-CG2 4.09Å; L52-F99 HydrophobicContact CD1-CD2 4.11Å; L52-F99 HydrophobicContact CD2-CB 4.42Å
53K73.4Confident71.5Confident140 Ų14073.7 Ų73.761%0.60938%0.38SS*.Hα-helixtrans-57.5-22.8174.5-177.3169.5-176.8176.70113.3H49 I51 P58H49-K53 VanDerWaalsContact O-CB 3.3Å; H49-K53 WeakPolarHBondContact O-CB 3.46Å; H49-K53 PolarHBondContact O-N 2.93Å; I51-K53 VanDerWaalsContact C-N 3.31Å; I51-K53 PolarHBondContact O-N 2.68Å; K53-P58 HydrophobicContact CB-CG 4.01Å; K53-P58 HydrophobicContact CG-CG 3.99Å
54K67.1Low69.9Low183 Ų18376.3 Ų76.380%0.79638%0.382SS*.Hα-helixtrans-87.2-29.2176.6-62.2-176.4175-172.70112.9I51 L52I51-K54 WeakPolarHBondContact O-CB 3.26Å; I51-K54 PolarHBondContact O-N 2.78Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-K54 VanDerWaalsContact O-N 3.09Å
55S58Low67.9Low72 Ų7282 Ų8250%0.50341%0.408SS..Hα-helixtrans-96.7-21.2-174.653.70000113.6L52L52-S55 WeakPolarHBondContact CA-OG 3.33Å; L52-S55 PolarHBondContact O-N 3.29Å; L52-S55 PolarHBondContact O-OG 2.81Å
56I62.4Low66.2Low41 Ų4184.4 Ų84.421%0.2142%0.423CS..SBendtrans-148.9159.3-174.9-21.7179000110.2L52 P58 N92 P96L52-I56 HydrophobicContact CD2-CD1 4.16Å; L52-I56 PolarHBondContact O-N 3.43Å; I56-P58 WeakPolarHBondContact O-CD 3.31Å; I56-N92 WeakPolarHBondContact CD1-OD1 3.38Å; I56-N92 WeakPolarHBondContact CG2-OD1 3.3Å; I56-P96 HydrophobicContact CD1-CG 3.49Å; I56-P96 VanDerWaalsContact CD1-CG 3.49Å; I56-P96 HydrophobicContact CG1-CG 4.08Å
57K55.1Low64.8Low188 Ų18891.1 Ų91.182%0.81745%0.446SS*.  trans-67.5108163.2-69.9-177.7-179.8177.80107.6
58P55.5Low63.4Low47 Ų4792.7 Ų92.731%0.30545%0.447SS..  trans-83.6141.5-172.333.1-31.4000110.8K53 I56K53-P58 HydrophobicContact CB-CG 4.01Å; K53-P58 HydrophobicContact CG-CG 3.99Å; I56-P58 WeakPolarHBondContact O-CD 3.31Å
59P58.5Low62.2Low19 Ų19103.5 Ų103.512%0.12349%0.488CS..  trans-66.1158.9164.827.2-33.1000111.1I61 Y84 T87 V88P59-I61 PolarHBondContact O-N 2.94Å; P59-Y84 HydrophobicContact CG-CD2 4.28Å; P59-Y84 HydrophobicContact CG-CE2 4.22Å; P59-T87 HydrophobicContact CB-CG2 3.45Å; P59-T87 VanDerWaalsContact CB-CG2 3.45Å; P59-T87 HydrophobicContact CG-CG2 3.65Å; P59-V88 HydrophobicContact CG-CG2 3.92Å
60E54.1Low61.4Low192 Ų192105 Ų10590%0.89750%0.499SS*.  trans-66.5114.8-171.1-158.5172.7-167.100111.4
61I56.8Low60.8Low34 Ų34102.7 Ų102.717%0.17450%0.498CS..PPolyproline II helixtrans-77.6136177.1-167.6173.2000109.6H49 P59 S63 Y84H49-I61 HydrophobicContact CB-CD1 3.7Å; P59-I61 PolarHBondContact O-N 2.94Å; I61-S63 PolarHBondContact O-N 3.06Å; I61-Y84 HydrophobicContact CB-CD2 4.18Å; I61-Y84 HydrophobicContact CB-CE2 4.22Å; I61-Y84 HydrophobicContact CG1-CD2 4.37Å; I61-Y84 HydrophobicContact CG1-CG 4.47Å
62P57.5Low60.6Low36 Ų36107 Ų10723%0.23451%0.514CS..PPolyproline II helixtrans-56.7130.2173.523.3-35.7000111.1Y42 L81Y42-P62 PolarHBondContact OH-O 3.01Å; P62-L81 HydrophobicContact CG-CD2 4.28Å
63S48.6Very low60.4Low81 Ų81108 Ų10857%0.56652%0.52SS*.PPolyproline II helixtrans-54.4146.1-170.2-179.80000113.9I61 H65 V66I61-S63 PolarHBondContact O-N 3.06Å; S63-H65 PolarHBondContact O-N 3.15Å; S63-H65 PolarHBondContact OG-N 3.04Å; S63-V66 WeakPolarHBondContact O-CG2 3.46Å
64K52.5Low60.6Low131 Ų131102.1 Ų102.157%0.5750%0.495SS*.SBendtrans-64.7-21.5177.8-153.9172.2-169.3169.10113.2Y42 H46 V66Y42-K64 HydrophobicContact CE1-CG 3.99Å; Y42-K64 WeakPolarHBondContact OH-CA 3.44Å; H46-K64 PolarHBondContact NE2-NZ 3.36Å; H46-K64 VanDerWaalsContact NE2-NZ 3.19Å; K64-V66 PolarHBondContact O-N 3.47Å
65H48.2Very low61.4Low184 Ų18496.4 Ų96.485%0.85247%0.471SS*.  trans-97.974.1-171.8-143.385.6000111.1S63S63-H65 PolarHBondContact O-N 3.15Å; S63-H65 PolarHBondContact OG-N 3.04Å
66V53.6Low62.6Low50 Ų5099.6 Ų99.630%0.30348%0.478SS..  trans-128.5142173.3-1320000109.6S63 K64 N68 V73S63-V66 WeakPolarHBondContact O-CG2 3.46Å; K64-V66 PolarHBondContact O-N 3.47Å; V66-N68 PolarHBondContact O-N 3.31Å; V66-N68 PolarHBondContact O-OD1 3.01Å; V66-V73 HydrophobicContact CB-CG1 3.53Å; V66-V73 HydrophobicContact CG1-CB 4.3Å; V66-V73 HydrophobicContact CG1-CG1 3.2Å; V66-V73 HydrophobicContact CG1-CG2 4.31Å
67R55.4Low63.6Low203 Ų20398.3 Ų98.377%0.76647%0.471SS*.  trans-67.793.7-177-124178.2-139.1-175.14.5110W69 V70 V73R67-W69 PolarHBondContact O-N 3.28Å; R67-V70 HydrophobicContact CB-CG2 4.44Å; R67-V70 PolarHBondContact O-N 3.19Å; R67-V73 VanDerWaalsContact O-CG1 3.26Å; R67-V73 WeakPolarHBondContact O-CG1 3.42Å
68N58.5Low65.2Low83 Ų8390.3 Ų90.344%0.44444%0.436SS..THydrogen-bonded Turntrans-59.2-7.3-172.3-64.7-16.1000116.4V66 L74 R77V66-N68 PolarHBondContact O-N 3.31Å; V66-N68 PolarHBondContact O-OD1 3.01Å; N68-L74 WeakPolarHBondContact O-CD1 3.3Å; N68-R77 PolarHBondContact OD1-NH1 2.84Å; N68-R77 PolarHBondContact OD1-NH2 3.07Å
69W61.2Low66.7Low232 Ų23292.6 Ų92.688%0.87944%0.442SS*.THydrogen-bonded Turntrans-96-12.4-178-58.894.9000113.7R67 P71R67-W69 PolarHBondContact O-N 3.28Å; W69-P71 WeakPolarHBondContact O-CD 3.08Å
70V68.3Low68.1Low60 Ų6092.6 Ų92.636%0.36445%0.445SS..  trans-92.3119.2-177.1179.30000108.9R67 K72 V73 L74R67-V70 HydrophobicContact CB-CG2 4.44Å; R67-V70 PolarHBondContact O-N 3.19Å; V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 HydrophobicContact CG1-CB 4.2Å; V70-K72 PolarHBondContact O-N 2.79Å; V70-V73 HydrophobicContact CB-CB 3.94Å; V70-V73 HydrophobicContact CB-CG2 3.82Å; V70-V73 HydrophobicContact CG1-CB 4.36Å; V70-V73 HydrophobicContact CG1-CG2 4Å; V70-V73 WeakPolarHBondContact O-CA 3.42Å; V70-V73 WeakPolarHBondContact O-CB 3.22Å; V70-V73 PolarHBondContact O-N 2.92Å; V70-L74 PolarHBondContact O-N 3.19Å; V70-L74 VanDerWaalsContact O-N 3.07Å
71P71.4Confident69.7Low95 Ų9583.4 Ų83.462%0.61740%0.402SS*.Hα-helixtrans-56.1-39.4-178-27.634.9000113.4W69 V73 L74 E75W69-P71 WeakPolarHBondContact O-CD 3.08Å; P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 PolarHBondContact O-N 3.47Å; P71-L74 PolarHBondContact O-N 3.13Å; P71-E75 PolarHBondContact O-N 2.87Å
72K76.6Confident71.4Confident173 Ų17383.3 Ų83.375%0.75240%0.401SS*.Hα-helixtrans-61.4-35.4175.5-65.3-175177.5-177.70113V70 Q76V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 HydrophobicContact CG1-CB 4.2Å; V70-K72 PolarHBondContact O-N 2.79Å; K72-Q76 WeakPolarHBondContact O-CG 3.4Å; K72-Q76 PolarHBondContact O-N 2.95Å
73V75.1Confident72.8Confident24 Ų2486.6 Ų86.615%0.14542%0.416CS..Hα-helixtrans-72.5-39.9177.8161.50000111.1V66 R67 V70 P71 E75 Q76 R77V66-V73 HydrophobicContact CB-CG1 3.53Å; V66-V73 HydrophobicContact CG1-CB 4.3Å; V66-V73 HydrophobicContact CG1-CG1 3.2Å; V66-V73 HydrophobicContact CG1-CG2 4.31Å; R67-V73 VanDerWaalsContact O-CG1 3.26Å; R67-V73 WeakPolarHBondContact O-CG1 3.42Å; V70-V73 HydrophobicContact CB-CB 3.94Å; V70-V73 HydrophobicContact CB-CG2 3.82Å; V70-V73 HydrophobicContact CG1-CB 4.36Å; V70-V73 HydrophobicContact CG1-CG2 4Å; V70-V73 WeakPolarHBondContact O-CA 3.42Å; V70-V73 WeakPolarHBondContact O-CB 3.22Å; V70-V73 PolarHBondContact O-N 2.92Å; P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 PolarHBondContact O-N 3.47Å; V73-E75 VanDerWaalsContact C-N 3.33Å; V73-Q76 PolarHBondContact O-N 3.16Å; V73-R77 WeakPolarHBondContact O-CB 3.35Å; V73-R77 PolarHBondContact O-N 2.99Å
74L77.5Confident74.7Confident16 Ų1683 Ų838%0.08439%0.39CS..Hα-helixtrans-66-38174.8-71177.1000111.5F11 N68 V70 P71 R77 R78F11-L74 HydrophobicContact CD2-CB 4.45Å; F11-L74 HydrophobicContact CD2-CD1 4.39Å; F11-L74 HydrophobicContact CE1-CB 4.37Å; F11-L74 HydrophobicContact CE2-CB 3.79Å; F11-L74 HydrophobicContact CE2-CD1 3.75Å; F11-L74 HydrophobicContact CE2-CG 4.42Å; F11-L74 HydrophobicContact CZ-CB 3.74Å; F11-L74 HydrophobicContact CZ-CD1 4.44Å; N68-L74 WeakPolarHBondContact O-CD1 3.3Å; V70-L74 PolarHBondContact O-N 3.19Å; V70-L74 VanDerWaalsContact O-N 3.07Å; P71-L74 PolarHBondContact O-N 3.13Å; L74-R77 CarbonylContact O-C 3.59Å; L74-R77 WeakPolarHBondContact O-CB 3.44Å; L74-R77 PolarHBondContact O-N 2.84Å; L74-R78 WeakPolarHBondContact O-CB 3.49Å; L74-R78 PolarHBondContact O-N 2.89Å
75E84Confident76.4Confident63 Ų6376.7 Ų76.729%0.29436%0.363SS..Hα-helixtrans-67.2-41.4175.2-172.757.3-15600112F11 P71 V73 R77 R78 H79F11-E75 WeakPolarHBondContact CE1-OE2 3.48Å; P71-E75 PolarHBondContact O-N 2.87Å; V73-E75 VanDerWaalsContact C-N 3.33Å; E75-R77 VanDerWaalsContact C-N 3.3Å; E75-R77 PolarHBondContact O-N 2.89Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 PolarHBondContact O-N 3.1Å; E75-R78 IonicContact OE1-CZ 3.29Å; E75-R78 VanDerWaalsContact OE1-CZ 3.29Å; E75-R78 IonicContact OE1-NE 3.09Å; E75-R78 PolarHBondContact OE1-NE 3.22Å; E75-R78 IonicContact OE1-NH2 2.91Å; E75-R78 PolarHBondContact OE1-NH2 2.76Å; E75-R78 IonicContact OE2-NE 3.78Å; E75-R78 PolarHBondContact OE2-NE 3.21Å; E75-H79 PolarHBondContact O-N 2.95Å; E75-H79 PolarHBondContact O-ND1 3.29Å; E75-H79 IonicContact OE1-CE1 2.82Å; E75-H79 PolarHBondContact OE1-CE1 3.09Å; E75-H79 IonicContact OE1-ND1 3.21Å; E75-H79 PolarHBondContact OE1-ND1 3.05Å; E75-H79 IonicContact OE1-NE2 3.8Å
76Q83.8Confident78.4Confident139 Ų13971.7 Ų71.765%0.6534%0.34SS*.Hα-helixtrans-60.1-41.4170.9-79.9-173.7-34.800111.9K72 V73 H79 G80K72-Q76 WeakPolarHBondContact O-CG 3.4Å; K72-Q76 PolarHBondContact O-N 2.95Å; V73-Q76 PolarHBondContact O-N 3.16Å; Q76-H79 PolarHBondContact O-N 3.39Å; Q76-G80 PolarHBondContact O-N 3.43Å
77R82.8Confident79.9Confident14 Ų1470.5 Ų70.55%0.05333%0.333CS..Hα-helixtrans-63.8-42.4175-178.8-179.3-75.81600.7111.2F25 Y42 N68 V73 L74 E75 G80 L81F25-R77 HydrophobicContact CZ-CG 4.29Å; Y42-R77 HydrophobicContact CD2-CG 4.38Å; Y42-R77 HydrophobicContact CE2-CG 4.48Å; N68-R77 PolarHBondContact OD1-NH1 2.84Å; N68-R77 PolarHBondContact OD1-NH2 3.07Å; V73-R77 WeakPolarHBondContact O-CB 3.35Å; V73-R77 PolarHBondContact O-N 2.99Å; L74-R77 CarbonylContact O-C 3.59Å; L74-R77 WeakPolarHBondContact O-CB 3.44Å; L74-R77 PolarHBondContact O-N 2.84Å; E75-R77 VanDerWaalsContact C-N 3.3Å; E75-R77 PolarHBondContact O-N 2.89Å; R77-G80 PolarHBondContact O-N 2.75Å; R77-L81 HydrophobicContact CG-CD1 4.1Å; R77-L81 HydrophobicContact CG-CG 4.24Å; R77-L81 WeakPolarHBondContact O-CB 3.49Å; R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.5Å; R77-L81 PolarHBondContact O-N 3.48Å
78R88.8Confident81.3Confident20 Ų2060.9 Ų60.98%0.07530%0.297CS..Hα-helixtrans-55.7-53.5176.4-170.6-157.768.860.7-2110.5I8 F11 F25 L74 E75 G80 L81 E82I8-R78 HydrophobicContact CB-CG 4.12Å; I8-R78 HydrophobicContact CG2-CG 3.57Å; I8-R78 WeakPolarHBondContact O-CD 3.22Å; I8-R78 VanDerWaalsContact O-CZ 3.31Å; I8-R78 PolarHBondContact O-NE 3.39Å; I8-R78 PolarHBondContact O-NH1 2.9Å; F11-R78 HydrophobicContact CD1-CB 4.36Å; F11-R78 HydrophobicContact CD1-CG 4.38Å; F25-R78 HydrophobicContact CD1-CB 4.31Å; F25-R78 HydrophobicContact CD1-CG 4.17Å; F25-R78 HydrophobicContact CE1-CB 4.08Å; F25-R78 HydrophobicContact CE1-CG 4.43Å; L74-R78 WeakPolarHBondContact O-CB 3.49Å; L74-R78 PolarHBondContact O-N 2.89Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 PolarHBondContact O-N 3.1Å; E75-R78 IonicContact OE1-CZ 3.29Å; E75-R78 VanDerWaalsContact OE1-CZ 3.29Å; E75-R78 IonicContact OE1-NE 3.09Å; E75-R78 PolarHBondContact OE1-NE 3.22Å; E75-R78 IonicContact OE1-NH2 2.91Å; E75-R78 PolarHBondContact OE1-NH2 2.76Å; E75-R78 IonicContact OE2-NE 3.78Å; E75-R78 PolarHBondContact OE2-NE 3.21Å; R78-G80 VanDerWaalsContact C-N 3.34Å; R78-G80 PolarHBondContact O-N 2.98Å; R78-L81 PolarHBondContact O-N 3.15Å; R78-E82 IonicContact CZ-OE2 3.73Å; R78-E82 IonicContact NH1-OE1 2.78Å; R78-E82 IonicContact NH1-OE2 2.76Å; R78-E82 PolarHBondContact NH1-OE2 2.66Å; R78-E82 IonicContact NH2-OE2 3.81Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 3.44Å
79H86.8Confident82.6Confident96 Ų9657.5 Ų57.544%0.44428%0.278SS..Hα-helixtrans-59-42.9175.9-73.894.1000112.3E75 Q76 L81 E82 L83E75-H79 PolarHBondContact O-N 2.95Å; E75-H79 PolarHBondContact O-ND1 3.29Å; E75-H79 IonicContact OE1-CE1 2.82Å; E75-H79 PolarHBondContact OE1-CE1 3.09Å; E75-H79 IonicContact OE1-ND1 3.21Å; E75-H79 PolarHBondContact OE1-ND1 3.05Å; E75-H79 IonicContact OE1-NE2 3.8Å; Q76-H79 PolarHBondContact O-N 3.39Å; H79-L81 PolarHBondContact O-N 3.18Å; H79-E82 PolarHBondContact O-N 3.17Å; H79-L83 WeakPolarHBondContact O-CB 3.48Å; H79-L83 PolarHBondContact O-N 2.9Å
80G87.8Confident83.6Confident18 Ų1853.4 Ų53.419%0.18627%0.271CS..Hα-helixtrans-65.4-37.1178.800000113.2Q76 R77 R78 Y84Q76-G80 PolarHBondContact O-N 3.43Å; R77-G80 PolarHBondContact O-N 2.75Å; R78-G80 VanDerWaalsContact C-N 3.34Å; R78-G80 PolarHBondContact O-N 2.98Å; G80-Y84 VanDerWaalsContact O-CB 3.27Å; G80-Y84 WeakPolarHBondContact O-CB 3.16Å; G80-Y84 PolarHBondContact O-N 3.31Å
81L89.4Confident84.1Confident0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-69.3-39.5174.9-70.3175.4000111.4I8 F25 Y42 F45 P62 R77 R78 H79 Y84 L85I8-L81 HydrophobicContact CD1-CB 3.77Å; F25-L81 HydrophobicContact CD1-CD1 4.25Å; F25-L81 HydrophobicContact CD2-CD1 4Å; F25-L81 HydrophobicContact CE1-CD1 4.17Å; F25-L81 HydrophobicContact CE2-CD1 3.92Å; F25-L81 HydrophobicContact CG-CD1 4.17Å; F25-L81 HydrophobicContact CZ-CD1 4.01Å; Y42-L81 HydrophobicContact CD2-CD1 4.26Å; Y42-L81 HydrophobicContact CD2-CD2 4.28Å; Y42-L81 HydrophobicContact CE2-CD2 4.25Å; F45-L81 HydrophobicContact CB-CD2 4.01Å; F45-L81 HydrophobicContact CD1-CB 4.43Å; F45-L81 HydrophobicContact CD1-CD1 4.42Å; F45-L81 HydrophobicContact CD1-CD2 3.79Å; F45-L81 HydrophobicContact CD1-CG 4.44Å; F45-L81 HydrophobicContact CD2-CD1 4.18Å; F45-L81 HydrophobicContact CD2-CD2 4.48Å; F45-L81 HydrophobicContact CE1-CB 4.13Å; F45-L81 HydrophobicContact CE1-CD1 4.28Å; F45-L81 HydrophobicContact CE1-CD2 4.31Å; F45-L81 HydrophobicContact CE1-CG 4.48Å; F45-L81 HydrophobicContact CE2-CD1 4.07Å; F45-L81 HydrophobicContact CG-CD1 4.35Å; F45-L81 HydrophobicContact CG-CD2 3.87Å; F45-L81 HydrophobicContact CZ-CD1 4.11Å; P62-L81 HydrophobicContact CG-CD2 4.28Å; R77-L81 HydrophobicContact CG-CD1 4.1Å; R77-L81 HydrophobicContact CG-CG 4.24Å; R77-L81 WeakPolarHBondContact O-CB 3.49Å; R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.5Å; R77-L81 PolarHBondContact O-N 3.48Å; R78-L81 PolarHBondContact O-N 3.15Å; H79-L81 PolarHBondContact O-N 3.18Å; L81-Y84 PolarHBondContact O-N 3.23Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 3.25Å
82E91.1Very high84.4Confident31 Ų3152.1 Ų52.115%0.14525%0.253CS..Hα-helixtrans-61.5-50.8175.3177.9170.4-131.200110.7S7 I8 R78 H79 Y84 L85 Q86S7-E82 WeakPolarHBondContact CA-OE1 3.2Å; S7-E82 VanDerWaalsContact CB-OE1 3.23Å; S7-E82 WeakPolarHBondContact CB-OE1 3.23Å; I8-E82 HydrophobicContact CB-CB 4.16Å; I8-E82 HydrophobicContact CD1-CB 4.02Å; I8-E82 HydrophobicContact CG1-CB 3.9Å; I8-E82 HydrophobicContact CG1-CG 4.42Å; I8-E82 PolarHBondContact N-OE1 2.89Å; R78-E82 IonicContact CZ-OE2 3.73Å; R78-E82 IonicContact NH1-OE1 2.78Å; R78-E82 IonicContact NH1-OE2 2.76Å; R78-E82 PolarHBondContact NH1-OE2 2.66Å; R78-E82 IonicContact NH2-OE2 3.81Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 3.44Å; H79-E82 PolarHBondContact O-N 3.17Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 2.88Å; E82-L85 PolarHBondContact O-N 2.93Å; E82-Q86 WeakPolarHBondContact O-CB 3.43Å; E82-Q86 WeakPolarHBondContact O-CG 3.5Å; E82-Q86 PolarHBondContact O-N 3.24Å
83L87.9Confident84.2Confident106 Ų10652.5 Ų52.556%0.55526%0.258SS*.Hα-helixtrans-58.8-45.4175.9-173.866.9000110.9H79 L85 Q86 T87H79-L83 WeakPolarHBondContact O-CB 3.48Å; H79-L83 PolarHBondContact O-N 2.9Å; L83-L85 PolarHBondContact O-N 3.17Å; L83-Q86 PolarHBondContact O-N 3.39Å; L83-Q86 VanDerWaalsContact O-N 3.17Å; L83-T87 WeakPolarHBondContact O-CB 3.06Å; L83-T87 PolarHBondContact O-N 3.48Å; L83-T87 PolarHBondContact O-OG1 3.03Å
84Y87.7Confident84.3Confident4 Ų457.2 Ų57.22%0.01629%0.286CS..Hα-helixtrans-54.9-50177.8172.2-103.9000112.3H49 P59 I61 G80 L81 E82 T87 V88H49-Y84 AromaticContact ND1-CE2 3.62Å; H49-Y84 AromaticContact ND1-CZ 3.59Å; H49-Y84 PolarHBondContact ND1-OH 3.07Å; H49-Y84 VanDerWaalsContact ND1-OH 3.13Å; P59-Y84 HydrophobicContact CG-CD2 4.28Å; P59-Y84 HydrophobicContact CG-CE2 4.22Å; I61-Y84 HydrophobicContact CB-CD2 4.18Å; I61-Y84 HydrophobicContact CB-CE2 4.22Å; I61-Y84 HydrophobicContact CG1-CD2 4.37Å; I61-Y84 HydrophobicContact CG1-CG 4.47Å; G80-Y84 VanDerWaalsContact O-CB 3.27Å; G80-Y84 WeakPolarHBondContact O-CB 3.16Å; G80-Y84 PolarHBondContact O-N 3.31Å; L81-Y84 PolarHBondContact O-N 3.23Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 2.88Å; Y84-T87 PolarHBondContact O-N 3.41Å; Y84-V88 HydrophobicContact CE1-CG2 4.36Å; Y84-V88 HydrophobicContact CE2-CG2 4.12Å; Y84-V88 WeakPolarHBondContact O-CG2 3.35Å; Y84-V88 PolarHBondContact O-N 3.15Å
85L89.3Confident84.5Confident0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-66.4-37.8179-66.1179.6000111.9L6 I8 I27 F45 L48 L81 E82 L83 V88 I89 F99 F102 L103L6-L85 HydrophobicContact CD1-CB 3.15Å; L6-L85 HydrophobicContact CD1-CD1 3.98Å; L6-L85 HydrophobicContact CD1-CG 4.23Å; I8-L85 HydrophobicContact CD1-CD1 4.34Å; I27-L85 HydrophobicContact CD1-CD1 4.18Å; I27-L85 HydrophobicContact CG2-CD1 4.31Å; F45-L85 HydrophobicContact CD1-CD2 4.49Å; F45-L85 HydrophobicContact CE1-CD1 3.85Å; F45-L85 HydrophobicContact CE1-CG 4.27Å; L48-L85 HydrophobicContact CD2-CD2 4.14Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 3.25Å; E82-L85 PolarHBondContact O-N 2.93Å; L83-L85 PolarHBondContact O-N 3.17Å; L85-V88 PolarHBondContact O-N 3.14Å; L85-I89 PolarHBondContact O-N 3.42Å; L85-I89 VanDerWaalsContact O-N 3.14Å; L85-F99 HydrophobicContact CB-CZ 4.5Å; L85-F99 HydrophobicContact CD2-CE2 3.58Å; L85-F99 HydrophobicContact CD2-CZ 4.14Å; L85-F102 HydrophobicContact CD2-CE1 4.25Å; L85-L103 HydrophobicContact CD1-CD2 4.47Å
86Q88.9Confident84.5Confident78 Ų7855.7 Ų55.736%0.36428%0.282SS..Hα-helixtrans-65.4-42.7177.5-74.9177-6.500111.4L6 E82 L83 I89 M90L6-Q86 HydrophobicContact CD1-CG 3.92Å; L6-Q86 HydrophobicContact CD2-CG 4.14Å; L6-Q86 HydrophobicContact CG-CG 3.77Å; L6-Q86 PolarHBondContact O-NE2 2.84Å; E82-Q86 WeakPolarHBondContact O-CB 3.43Å; E82-Q86 WeakPolarHBondContact O-CG 3.5Å; E82-Q86 PolarHBondContact O-N 3.24Å; L83-Q86 PolarHBondContact O-N 3.39Å; L83-Q86 VanDerWaalsContact O-N 3.17Å; Q86-I89 PolarHBondContact O-N 3.3Å; Q86-M90 WeakPolarHBondContact O-CB 3.44Å; Q86-M90 PolarHBondContact O-N 2.66Å
87T85.1Confident84.5Confident25 Ų2556.2 Ų56.215%0.15328%0.282CS..Hα-helixtrans-64.2-41.8176.1-54.10000111.2P59 L83 Y84 I89 M90 E91P59-T87 HydrophobicContact CB-CG2 3.45Å; P59-T87 VanDerWaalsContact CB-CG2 3.45Å; P59-T87 HydrophobicContact CG-CG2 3.65Å; L83-T87 WeakPolarHBondContact O-CB 3.06Å; L83-T87 PolarHBondContact O-N 3.48Å; L83-T87 PolarHBondContact O-OG1 3.03Å; Y84-T87 PolarHBondContact O-N 3.41Å; T87-I89 PolarHBondContact O-N 3.02Å; T87-M90 PolarHBondContact O-N 3.05Å; T87-M90 VanDerWaalsContact O-N 3.15Å; T87-E91 VanDerWaalsContact CG2-CD 3.46Å; T87-E91 HydrophobicContact CG2-CG 3.9Å; T87-E91 VanDerWaalsContact CG2-OE1 3.24Å; T87-E91 WeakPolarHBondContact CG2-OE1 2.95Å; T87-E91 WeakPolarHBondContact O-CB 3.47Å; T87-E91 WeakPolarHBondContact O-CG 3.15Å; T87-E91 PolarHBondContact O-N 2.88Å
88V84.7Confident84.7Confident2 Ų258.5 Ų58.51%0.01230%0.295CS..Hα-helixtrans-57.6-39.8174.1170.60000111.1L52 P59 Y84 L85 N92 F99L52-V88 HydrophobicContact CD1-CG1 4.37Å; L52-V88 HydrophobicContact CD1-CG2 4.42Å; P59-V88 HydrophobicContact CG-CG2 3.92Å; Y84-V88 HydrophobicContact CE1-CG2 4.36Å; Y84-V88 HydrophobicContact CE2-CG2 4.12Å; Y84-V88 WeakPolarHBondContact O-CG2 3.35Å; Y84-V88 PolarHBondContact O-N 3.15Å; L85-V88 PolarHBondContact O-N 3.14Å; V88-N92 WeakPolarHBondContact O-CB 3.32Å; V88-N92 PolarHBondContact O-N 3.19Å; V88-N92 PolarHBondContact O-ND2 2.91Å; V88-F99 HydrophobicContact CB-CE2 4.05Å; V88-F99 HydrophobicContact CB-CZ 4.4Å; V88-F99 HydrophobicContact CG1-CD2 3.8Å; V88-F99 HydrophobicContact CG1-CE2 3.62Å; V88-F99 HydrophobicContact CG1-CG 4.35Å; V88-F99 HydrophobicContact CG1-CZ 4.05Å
89I85.7Confident84.7Confident11 Ų1157.6 Ų57.66%0.05629%0.291CS..Hα-helixtrans-71.2-41.1176-75.4160.7000112.5H2 I4 L6 L85 Q86 T87 L95 F99 L103H2-I89 HydrophobicContact CB-CG2 3.89Å; H2-I89 PolarHBondContact CD2-O 3.14Å; H2-I89 PolarHBondContact NE2-O 2.95Å; H2-I89 VanDerWaalsContact NE2-O 3.14Å; I4-I89 HydrophobicContact CB-CD1 4.48Å; I4-I89 HydrophobicContact CG2-CD1 3.81Å; L6-I89 HydrophobicContact CD1-CD1 4.46Å; L6-I89 HydrophobicContact CD2-CD1 3.05Å; L6-I89 HydrophobicContact CD2-CG1 4.32Å; L6-I89 HydrophobicContact CG-CD1 4.33Å; L85-I89 PolarHBondContact O-N 3.42Å; L85-I89 VanDerWaalsContact O-N 3.14Å; Q86-I89 PolarHBondContact O-N 3.3Å; T87-I89 PolarHBondContact O-N 3.02Å; I89-L95 HydrophobicContact CB-CD2 4.49Å; I89-L95 HydrophobicContact CG1-CD1 3.98Å; I89-L95 HydrophobicContact CG1-CD2 3.78Å; I89-F99 HydrophobicContact CD1-CE1 3.6Å; I89-F99 HydrophobicContact CD1-CZ 3.75Å; I89-F99 HydrophobicContact CG1-CE1 3.57Å; I89-F99 HydrophobicContact CG1-CZ 3.8Å; I89-L103 HydrophobicContact CD1-CD1 4.48Å
90M82.3Confident84.7Confident147 Ų14754.3 Ų54.372%0.72428%0.276SS*.Hα-helixtrans-67.6-39.9-178-172.2175.665.100112.9Q86 T87Q86-M90 WeakPolarHBondContact O-CB 3.44Å; Q86-M90 PolarHBondContact O-N 2.66Å; T87-M90 PolarHBondContact O-N 3.05Å; T87-M90 VanDerWaalsContact O-N 3.15Å
91E80.5Confident84.7Confident109 Ų10957.4 Ų57.451%0.50929%0.289SS..Hα-helixtrans-80.9-21-175.4-69.9-178.4172.900113.7T87T87-E91 VanDerWaalsContact CG2-CD 3.46Å; T87-E91 HydrophobicContact CG2-CG 3.9Å; T87-E91 VanDerWaalsContact CG2-OE1 3.24Å; T87-E91 WeakPolarHBondContact CG2-OE1 2.95Å; T87-E91 WeakPolarHBondContact O-CB 3.47Å; T87-E91 WeakPolarHBondContact O-CG 3.15Å; T87-E91 PolarHBondContact O-N 2.88Å
92N75.8Confident84.7Confident19 Ų1958.2 Ų58.210%0.10229%0.293CS..  trans-107.6113.1-172.5-70.6-77.2000111.7H2 I56 V88 V94 L95H2-N92 PolarHBondContact CE1-O 3.44Å; H2-N92 PolarHBondContact NE2-O 2.99Å; I56-N92 WeakPolarHBondContact CD1-OD1 3.38Å; I56-N92 WeakPolarHBondContact CG2-OD1 3.3Å; V88-N92 WeakPolarHBondContact O-CB 3.32Å; V88-N92 PolarHBondContact O-N 3.19Å; V88-N92 PolarHBondContact O-ND2 2.91Å; N92-V94 PolarHBondContact O-N 3.39Å; N92-L95 HydrophobicContact CB-CD2 4.31Å
93E73.1Confident84.6Confident181 Ų18156.8 Ų56.885%0.84629%0.286SS*.SBendtrans-64.1-26.3173.4-67.3-164.1159.600113.5H2H2-E93 PolarHBondContact CE1-O 3.19Å; H2-E93 VanDerWaalsContact CE1-O 3.22Å
94V77.8Confident84.5Confident123 Ų12356.6 Ų56.675%0.74529%0.285SS*.SBendtrans-129.7118.6174.1-178.10000109N92N92-V94 PolarHBondContact O-N 3.39Å
95L82.3Confident84.1Confident20 Ų2057 Ų5711%0.10529%0.288CS..  trans-74.8129.8179.5-68.3173.4000111.1I4 I89 N92 F99 L100I4-L95 HydrophobicContact CD1-CD1 3.56Å; I89-L95 HydrophobicContact CB-CD2 4.49Å; I89-L95 HydrophobicContact CG1-CD1 3.98Å; I89-L95 HydrophobicContact CG1-CD2 3.78Å; N92-L95 HydrophobicContact CB-CD2 4.31Å; L95-F99 HydrophobicContact CB-CD1 4.42Å; L95-F99 HydrophobicContact CD1-CD1 4.18Å; L95-F99 HydrophobicContact CD1-CE1 4.22Å; L95-F99 HydrophobicContact CD2-CD1 3.92Å; L95-F99 HydrophobicContact CD2-CE1 4.04Å; L95-F99 HydrophobicContact CG-CD1 4.41Å; L95-L100 HydrophobicContact CB-CD2 4.07Å; L95-L100 HydrophobicContact CB-CG 4.21Å; L95-L100 HydrophobicContact CD1-CD2 3.9Å
96P83.6Confident83.1Confident27 Ų2766.4 Ų66.418%0.17532%0.324CS..  trans-58.7144.1173.5-24.934.5000111.9L52 I56 I98 F99 L100L52-P96 HydrophobicContact CD2-CB 4.17Å; L52-P96 HydrophobicContact CD2-CG 3.86Å; I56-P96 HydrophobicContact CD1-CG 3.49Å; I56-P96 VanDerWaalsContact CD1-CG 3.49Å; I56-P96 HydrophobicContact CG1-CG 4.08Å; P96-I98 HydrophobicContact CB-CG2 3.98Å; P96-I98 PolarHBondContact O-N 3.13Å; P96-F99 WeakPolarHBondContact O-CB 3.49Å; P96-F99 PolarHBondContact O-N 2.74Å; P96-L100 PolarHBondContact O-N 3.11Å
97K84Confident81.6Confident149 Ų14967 Ų6765%0.64833%0.326SS*.Hα-helixtrans-53.9-41.3179.6-56.3-168177.1-178.70112.7F99 L100 D101K97-F99 PolarHBondContact O-N 3.44Å; K97-L100 WeakPolarHBondContact O-CB 3.4Å; K97-L100 PolarHBondContact O-N 3.3Å; K97-D101 PolarHBondContact O-N 3.36Å
98I86Confident79.8Confident63 Ų6371.8 Ų71.832%0.32335%0.345SS..Hα-helixtrans-59.1-31.2177.6-169.762.9000113.5L48 I51 L52 P96 F102L48-I98 HydrophobicContact CD1-CG1 4.26Å; L48-I98 HydrophobicContact CD1-CG2 4.45Å; I51-I98 HydrophobicContact CD1-CD1 4.28Å; I51-I98 HydrophobicContact CD1-CG1 4.11Å; I51-I98 HydrophobicContact CG2-CG1 4.17Å; I51-I98 HydrophobicContact CG2-CG2 4.11Å; L52-I98 HydrophobicContact CD2-CG2 4.09Å; P96-I98 HydrophobicContact CB-CG2 3.98Å; P96-I98 PolarHBondContact O-N 3.13Å; I98-F102 WeakPolarHBondContact O-CB 3.34Å; I98-F102 PolarHBondContact O-N 3.33Å
99F88.1Confident77.6Confident0 Ų077 Ų770%038%0.379CS..Hα-helixtrans-75.2-41.2176.6-177.1-94000111L48 L52 L85 V88 I89 L95 P96 K97 F102 L103L48-F99 HydrophobicContact CD1-CD2 4.43Å; L48-F99 HydrophobicContact CD2-CD2 4Å; L48-F99 HydrophobicContact CD2-CE2 4.38Å; L52-F99 HydrophobicContact CD1-CD2 4.11Å; L52-F99 HydrophobicContact CD2-CB 4.42Å; L85-F99 HydrophobicContact CB-CZ 4.5Å; L85-F99 HydrophobicContact CD2-CE2 3.58Å; L85-F99 HydrophobicContact CD2-CZ 4.14Å; V88-F99 HydrophobicContact CB-CE2 4.05Å; V88-F99 HydrophobicContact CB-CZ 4.4Å; V88-F99 HydrophobicContact CG1-CD2 3.8Å; V88-F99 HydrophobicContact CG1-CE2 3.62Å; V88-F99 HydrophobicContact CG1-CG 4.35Å; V88-F99 HydrophobicContact CG1-CZ 4.05Å; I89-F99 HydrophobicContact CD1-CE1 3.6Å; I89-F99 HydrophobicContact CD1-CZ 3.75Å; I89-F99 HydrophobicContact CG1-CE1 3.57Å; I89-F99 HydrophobicContact CG1-CZ 3.8Å; L95-F99 HydrophobicContact CB-CD1 4.42Å; L95-F99 HydrophobicContact CD1-CD1 4.18Å; L95-F99 HydrophobicContact CD1-CE1 4.22Å; L95-F99 HydrophobicContact CD2-CD1 3.92Å; L95-F99 HydrophobicContact CD2-CE1 4.04Å; L95-F99 HydrophobicContact CG-CD1 4.41Å; P96-F99 WeakPolarHBondContact O-CB 3.49Å; P96-F99 PolarHBondContact O-N 2.74Å; K97-F99 PolarHBondContact O-N 3.44Å; F99-F102 WeakPolarHBondContact O-CB 3.47Å; F99-F102 PolarHBondContact O-N 2.83Å; F99-L103 HydrophobicContact CD1-CD1 3.91Å; F99-L103 HydrophobicContact CD1-CG 4.46Å; F99-L103 HydrophobicContact CE1-CD1 3.29Å; F99-L103 HydrophobicContact CE1-CG 4.14Å; F99-L103 HydrophobicContact CZ-CD1 3.75Å; F99-L103 HydrophobicContact CZ-CG 4.38Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 3.35Å
100L88.1Confident75.4Confident27 Ų2781.8 Ų81.814%0.14141%0.413CS..Hα-helixtrans-62.9-43.6174.2-62.2175.7000111.2I4 L95 P96 K97 F102 L103 N104 V105I4-L100 HydrophobicContact CD1-CD2 4.08Å; L95-L100 HydrophobicContact CB-CD2 4.07Å; L95-L100 HydrophobicContact CB-CG 4.21Å; L95-L100 HydrophobicContact CD1-CD2 3.9Å; P96-L100 PolarHBondContact O-N 3.11Å; K97-L100 WeakPolarHBondContact O-CB 3.4Å; K97-L100 PolarHBondContact O-N 3.3Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.1Å; L100-L103 CarbonylContact O-C 3.48Å; L100-L103 PolarHBondContact O-N 3.03Å; L100-L103 VanDerWaalsContact O-N 3.15Å; L100-N104 PolarHBondContact O-N 3.09Å; L100-V105 HydrophobicContact CB-CB 4.3Å; L100-V105 HydrophobicContact CD2-CB 4.2Å; L100-V105 HydrophobicContact CD2-CG1 4.26Å; L100-V105 PolarHBondContact O-N 2.93Å
101D88.1Confident73.4Confident83 Ų8381 Ų8144%0.44442%0.416SS..Hα-helixtrans-61.2-42.5174.7-69.2-24.3000111.4K97 L103 N104K97-D101 PolarHBondContact O-N 3.36Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 2.88Å; D101-N104 PolarHBondContact O-N 2.92Å; D101-N104 PolarHBondContact O-OD1 3.04Å
102F89.6Confident71.4Confident18 Ų1880.6 Ų80.68%0.07942%0.424CS..Hα-helixtrans-60.5-36.6175.4177.2-90.6000112.4I27 K40 E44 F45 L48 L85 I98 F99 L100 N104I27-F102 HydrophobicContact CD1-CE1 3.93Å; I27-F102 HydrophobicContact CD1-CZ 4.35Å; K40-F102 HydrophobicContact CB-CE2 4.35Å; K40-F102 HydrophobicContact CB-CZ 3.93Å; K40-F102 HydrophobicContact CD-CD2 4.21Å; K40-F102 HydrophobicContact CD-CE2 3.71Å; K40-F102 HydrophobicContact CD-CZ 3.96Å; K40-F102 VanDerWaalsContact CE-O 3.23Å; K40-F102 WeakPolarHBondContact CE-O 3.07Å; K40-F102 HydrophobicContact CG-CE1 4.09Å; K40-F102 HydrophobicContact CG-CE2 3.88Å; K40-F102 HydrophobicContact CG-CZ 3.56Å; E44-F102 HydrophobicContact CB-CE2 3.88Å; F45-F102 HydrophobicContact CD1-CE1 4.28Å; F45-F102 AromaticContact CD1-CZ 3.81Å; F45-F102 HydrophobicContact CD1-CZ 3.81Å; F45-F102 HydrophobicContact CD2-CZ 4.23Å; F45-F102 HydrophobicContact CE1-CE1 4.2Å; F45-F102 AromaticContact CE1-CZ 3.96Å; F45-F102 HydrophobicContact CE1-CZ 3.96Å; F45-F102 HydrophobicContact CE2-CZ 4.36Å; F45-F102 AromaticContact CG-CZ 3.98Å; F45-F102 HydrophobicContact CG-CZ 3.98Å; F45-F102 HydrophobicContact CZ-CZ 4.24Å; L48-F102 HydrophobicContact CB-CD2 4.14Å; L48-F102 HydrophobicContact CB-CE2 4.35Å; L48-F102 HydrophobicContact CD1-CB 4.01Å; L48-F102 HydrophobicContact CD1-CG 4.28Å; L48-F102 HydrophobicContact CD2-CB 4.26Å; L48-F102 HydrophobicContact CD2-CD1 3.68Å; L48-F102 HydrophobicContact CD2-CD2 4.02Å; L48-F102 HydrophobicContact CD2-CE1 3.95Å; L48-F102 HydrophobicContact CD2-CE2 4.26Å; L48-F102 HydrophobicContact CD2-CG 3.72Å; L48-F102 HydrophobicContact CD2-CZ 4.23Å; L48-F102 HydrophobicContact CG-CD2 4.46Å; L48-F102 HydrophobicContact CG-CG 4.4Å; L85-F102 HydrophobicContact CD2-CE1 4.25Å; I98-F102 WeakPolarHBondContact O-CB 3.34Å; I98-F102 PolarHBondContact O-N 3.33Å; F99-F102 WeakPolarHBondContact O-CB 3.47Å; F99-F102 PolarHBondContact O-N 2.83Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.1Å; F102-N104 VanDerWaalsContact C-N 3.28Å
103L89.1Confident69.8Low0 Ų089.7 Ų89.70%046%0.462CS..THydrogen-bonded Turntrans-85.46.4175.5-64.7-176.6000113.3I27 V29 H36 V38 L85 I89 F99 L100 D101 V105I27-L103 HydrophobicContact CG2-CD2 4.39Å; V29-L103 HydrophobicContact CG1-CD1 4.37Å; V29-L103 HydrophobicContact CG2-CB 4.38Å; V29-L103 HydrophobicContact CG2-CD2 4Å; H36-L103 PolarHBondContact NE2-O 3.19Å; V38-L103 WeakPolarHBondContact CG2-O 3.44Å; L85-L103 HydrophobicContact CD1-CD2 4.47Å; I89-L103 HydrophobicContact CD1-CD1 4.48Å; F99-L103 HydrophobicContact CD1-CD1 3.91Å; F99-L103 HydrophobicContact CD1-CG 4.46Å; F99-L103 HydrophobicContact CE1-CD1 3.29Å; F99-L103 HydrophobicContact CE1-CG 4.14Å; F99-L103 HydrophobicContact CZ-CD1 3.75Å; F99-L103 HydrophobicContact CZ-CG 4.38Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 3.35Å; L100-L103 CarbonylContact O-C 3.48Å; L100-L103 PolarHBondContact O-N 3.03Å; L100-L103 VanDerWaalsContact O-N 3.15Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 2.88Å; L103-V105 HydrophobicContact CB-CG2 3.81Å; L103-V105 PolarHBondContact O-N 3.31Å
104N84.3Confident68.2Low102 Ų10286 Ų8655%0.54545%0.452SS..THydrogen-bonded Turntrans51.527.1-173.6-78.547.5000113.7V38 L100 D101 F102 R106V38-N104 HydrophobicContact CG2-CB 4.07Å; L100-N104 PolarHBondContact O-N 3.09Å; D101-N104 PolarHBondContact O-N 2.92Å; D101-N104 PolarHBondContact O-OD1 3.04Å; F102-N104 VanDerWaalsContact C-N 3.28Å; N104-R106 PolarHBondContact O-N 2.82Å; N104-R106 VanDerWaalsContact O-N 3.16Å
105V80.1Confident66.7Low13 Ų1389.2 Ų89.28%0.07946%0.459CS..  trans-80.399.3174-1780000106.9V29 V31 L100 L103 H107V29-V105 HydrophobicContact CG1-CG2 4.24Å; V31-V105 HydrophobicContact CG1-CG1 4.33Å; V31-V105 HydrophobicContact CG2-CG1 4.36Å; V31-V105 HydrophobicContact CG2-CG2 3.83Å; L100-V105 HydrophobicContact CB-CB 4.3Å; L100-V105 HydrophobicContact CD2-CB 4.2Å; L100-V105 HydrophobicContact CD2-CG1 4.26Å; L100-V105 PolarHBondContact O-N 2.93Å; L103-V105 HydrophobicContact CB-CG2 3.81Å; L103-V105 PolarHBondContact O-N 3.31Å; V105-H107 PolarHBondContact O-N 2.78Å
106R67.7Low64.8Low197 Ų19793.8 Ų93.874%0.74349%0.493SS*.  trans-53.7133174.2-66-173.7-177.4178.33108.5N104 F108N104-R106 PolarHBondContact O-N 2.82Å; N104-R106 VanDerWaalsContact O-N 3.16Å; R106-F108 PolarHBondContact O-N 3.21Å
107H57.2Low62.9Low91 Ų9198.7 Ų98.742%0.42153%0.526SS..  trans-51.9114.5170.2-72.7-63.1000108.6V105 P109V105-H107 PolarHBondContact O-N 2.78Å; H107-P109 VanDerWaalsContact O-CD 3.3Å; H107-P109 WeakPolarHBondContact O-CD 3.48Å
108F47.2Very low60.9Low126 Ų12695.4 Ų95.455%0.55353%0.534SS*.  trans-61.4118.4156-69.3-85.8000104.7V31 N32 R106 S110V31-F108 HydrophobicContact CG1-CE2 4.28Å; N32-F108 WeakPolarHBondContact ND2-CE2 3.29Å; N32-F108 WeakPolarHBondContact ND2-CZ 3.49Å; R106-F108 PolarHBondContact O-N 3.21Å; F108-S110 PolarHBondContact O-N 2.76Å
109P38.8Very low58.7Low111 Ų11196.9 Ų96.972%0.72155%0.55SS**  trans-52.9124.8167.822.2-29.1000105.5H107 V111H107-P109 VanDerWaalsContact O-CD 3.3Å; H107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-V111 VanDerWaalsContact C-N 3.33Å; P109-V111 PolarHBondContact O-N 2.91Å
110S40.6Very low56.4Low111 Ų111106.2 Ų106.278%0.77659%0.591SS**  trans-53.6108.2170.852.40000105.5F108 P112F108-S110 PolarHBondContact O-N 2.76Å; S110-P112 VanDerWaalsContact O-CD 3.26Å; S110-P112 WeakPolarHBondContact O-CD 3.48Å
111V39.1Very low54.1Low130 Ų130112.2 Ų112.279%0.78862%0.623SS**  trans-52116.2177.2-151.90000105P109 K113P109-V111 VanDerWaalsContact C-N 3.33Å; P109-V111 PolarHBondContact O-N 2.91Å; V111-K113 PolarHBondContact O-N 3.22Å
112P38.5Very low52Low102 Ų102112.5 Ų112.566%0.66263%0.629SS**  trans-57.7124.1173.621.8-28.5000106.1S110 T114S110-P112 VanDerWaalsContact O-CD 3.26Å; S110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-T114 PolarHBondContact O-N 2.79Å
113K42.7Very low49.7Very low210 Ų210119 Ų11991%0.91366%0.659SS**  trans-60.691.1164.9-80.5-179.6176.2178.50106.4V111V111-K113 PolarHBondContact O-N 3.22Å
114T39.4Very low47.4Very low104 Ų104124.3 Ų124.364%0.63870%0.696SS**  trans-146.2100.2164.3-44.10000105.7P112 S116P112-T114 PolarHBondContact O-N 2.79Å; T114-S116 PolarHBondContact O-N 2.86Å
115E45.3Very low45.5Very low190 Ų190126.4 Ų126.489%0.88870%0.704SS**  trans-25.796.3151.845.5-140.6112.800113.5
116S42.5Very low43.7Very low116 Ų116132.8 Ų132.881%0.81173%0.733SS**  trans-170138.1154.9-165.50000110.8T114T114-S116 PolarHBondContact O-N 2.86Å
117C45.4Very low42.7Very low130 Ų130129.3 Ų129.388%0.87874%0.739SS**  trans-57.3136.9-172.8-71.80000115
118G42.2Very low42.3Very low79 Ų79129.5 Ų129.581%0.81475%0.751SS**  trans90.292137.600000118.1
119S38.4Very low42.4Very low95 Ų95133.8 Ų133.866%0.66477%0.769SS**  trans-154.8115.2139.7-169.60000109.3D121S119-D121 PolarHBondContact O-N 3.44Å
120F40.4Very low43.2Very low196 Ų196135.3 Ų135.386%0.8677%0.77SS**  trans-81.998.9164.8-88.4-90.7000107.5T122F120-T122 PolarHBondContact O-N 3.24Å
121D39.1Very low44.2Very low152 Ų152135.2 Ų135.281%0.81377%0.77SS**  trans-94.286.4160.9-74.4-46000108.2S119S119-D121 PolarHBondContact O-N 3.44Å
122T45.4Very low45.3Very low90 Ų90135.8 Ų135.855%0.55276%0.764SS**  trans-86.1150160.6-56.20000108.3F120F120-T122 PolarHBondContact O-N 3.24Å
123E40.1Very low46.3Very low155 Ų155138.9 Ų138.972%0.72477%0.769SS**  trans64.885.5169.257.5-110.7119.900121.1M125E123-M125 PolarHBondContact O-N 2.99Å
124S42.1Very low47.1Very low110 Ų110134.6 Ų134.677%0.76976%0.763SS**  trans-86.472136-170.20000108.9
125M44.3Very low48.5Very low147 Ų147135.4 Ų135.472%0.72477%0.767SS**  trans-98.4122.5155.3-138.7-172.212200106.4E123E123-M125 PolarHBondContact O-N 2.99Å
126E41Very low49.3Very low146 Ų146131.1 Ų131.168%0.68275%0.754SS**  trans46.9112.6150.2-148.9156.1-162.100118.8S128E126-S128 PolarHBondContact O-N 3.26Å
127S47.9Very low50.1Low124 Ų124131.7 Ų131.787%0.86775%0.752SS**  trans-40.594.8167.450.90000113.9
128S47.4Very low50.8Low96 Ų96133.2 Ų133.267%0.67174%0.741SS**  trans-120.491.5157.9-54.10000106.8E126 L130E126-S128 PolarHBondContact O-N 3.26Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.33Å
129K50.2Low51.7Low215 Ų215137.8 Ų137.894%0.93575%0.745SS**  trans-63.495.4171.1-110.4178.5176.8178.60107.5S131K129-S131 PolarHBondContact O-N 2.96Å
130L56.1Low52.8Low143 Ų143143 Ų14375%0.74975%0.751SS**  trans-65124.2168.7-64.3174.7000107.7S128 H132S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.33Å; L130-H132 PolarHBondContact O-N 3.42Å
131S60.3Low54.1Low109 Ų109137.6 Ų137.676%0.76273%0.731SS**  trans-76.73.5-177.876.60000114K129K129-S131 PolarHBondContact O-N 2.96Å
132H62.9Low55.2Low142 Ų142134.1 Ų134.166%0.65772%0.717SS**SBendtrans-108.7140.7-171.8-43.7-70.1000109.8L130L130-H132 PolarHBondContact O-N 3.42Å
133Q59.9Low56.1Low168 Ų168139.7 Ų139.779%0.78573%0.729SS**  trans-73.9127.8172.1-166.9173.25.200108.4V135Q133-V135 PolarHBondContact O-N 2.89Å; Q133-V135 VanDerWaalsContact O-N 3.15Å
134P59.5Low57.4Low119 Ų119137.4 Ų137.477%0.77372%0.721SS**  trans-64.5118.4174.124.8-30.7000108.7
135V67.3Low58.2Low121 Ų121139.2 Ų139.273%0.73372%0.721SS**  trans-110.3134.3175.1179.10000107.7Q133Q133-V135 PolarHBondContact O-N 2.89Å; Q133-V135 VanDerWaalsContact O-N 3.15Å
136V63.8Low59Low101 Ų101135.7 Ų135.761%0.61271%0.709SS**  trans83.795.6-175.1-160.90000114.4Y138V136-Y138 HydrophobicContact CG1-CD2 4.05Å; V136-Y138 HydrophobicContact CG1-CE1 4.4Å; V136-Y138 HydrophobicContact CG1-CE2 3.64Å
137V58.5Low59.9Low127 Ų127132.9 Ų132.977%0.7771%0.706SS**  trans-104.8118.4160.5-175.40000106.5
138Y59.9Low60.4Low162 Ų162132.1 Ų132.164%0.63571%0.707SS**  trans-78.3124.7166.7-65.1-86.2000108.1V136 R140 P142V136-Y138 HydrophobicContact CG1-CD2 4.05Å; V136-Y138 HydrophobicContact CG1-CE1 4.4Å; V136-Y138 HydrophobicContact CG1-CE2 3.64Å; Y138-R140 WeakPolarHBondContact CB-O 3.45Å; Y138-R140 PolarHBondContact O-N 3.48Å; Y138-P142 HydrophobicContact CD2-CG 4.48Å
139L61.1Low60.8Low175 Ų175135.7 Ų135.792%0.91671%0.713SS**SBendtrans-65.2-13.9175.4-70.8166.7000112.3
140R61.9Low61.3Low205 Ų205130.1 Ų130.177%0.77469%0.693SS**SBendtrans-140.9151.9177.3-80.3-69.2-179.1178.3-2.5110.6Y138 P142Y138-R140 WeakPolarHBondContact CB-O 3.45Å; Y138-R140 PolarHBondContact O-N 3.48Å; R140-P142 WeakPolarHBondContact O-CD 3.47Å
141D66.7Low61.5Low82 Ų82129.4 Ų129.444%0.43970%0.695SS.*  trans-58.2119.5175178.4-9.5000110.1Y143 L144D141-Y143 PolarHBondContact O-N 2.88Å; D141-Y143 WeakPolarHBondContact OD1-CD2 3.4Å; D141-Y143 PolarHBondContact OD1-N 3.49Å; D141-L144 HydrophobicContact CB-CB 4.45Å; D141-L144 HydrophobicContact CB-CD1 3.77Å; D141-L144 HydrophobicContact CB-CG 3.76Å; D141-L144 PolarHBondContact O-N 3.26Å
142P63.1Low61.7Low80 Ų80131.9 Ų131.952%0.51969%0.692SS.*THydrogen-bonded Turntrans-68.3-12.3-176.128.2-34.8000113.7Y138 R140Y138-P142 HydrophobicContact CD2-CG 4.48Å; R140-P142 WeakPolarHBondContact O-CD 3.47Å
143Y63.2Low61.7Low207 Ų207129.3 Ų129.381%0.81269%0.69SS**THydrogen-bonded Turntrans-95.8-4.6177.8-56.9-75.6000113.2D141D141-Y143 PolarHBondContact O-N 2.88Å; D141-Y143 WeakPolarHBondContact OD1-CD2 3.4Å; D141-Y143 PolarHBondContact OD1-N 3.49Å
144L68.8Low62.3Low106 Ų106124.7 Ų124.756%0.55567%0.671SS**SBendtrans-81.2123.8171-65.6179.8000109.6D141D141-L144 HydrophobicContact CB-CB 4.45Å; D141-L144 HydrophobicContact CB-CD1 3.77Å; D141-L144 HydrophobicContact CB-CG 3.76Å; D141-L144 PolarHBondContact O-N 3.26Å
145L58.8Low63.2Low149 Ų149124.2 Ų124.278%0.7867%0.666SS**PPolyproline II helixtrans-58.7135.6174.3-69.3167.5000109.7
146P60.3Low63.7Low72 Ų72123.6 Ų123.647%0.46866%0.662SS.*PPolyproline II helixtrans-53.4142.5175.5-24.132.5000110.9A148P146-A148 PolarHBondContact O-N 2.97Å
147S59.9Low64.4Low87 Ų87123 Ų12361%0.60865%0.654SS**PPolyproline II helixtrans-57.1137173.356.50000109.8H149 D150S147-H149 PolarHBondContact O-N 3.42Å; S147-D150 PolarHBondContact O-N 3.3Å
148A58.8Low65.3Low108 Ų108121.6 Ų121.689%0.89364%0.64SS**THydrogen-bonded Turntrans-58.75.9-177.600000116.2P146P146-A148 PolarHBondContact O-N 2.97Å
149H56.1Low66.3Low172 Ų172115.9 Ų115.980%0.79663%0.63SS**THydrogen-bonded Turntrans-98.85.5172.5-69.3-69.8000113.5S147 T151S147-H149 PolarHBondContact O-N 3.42Å; H149-T151 PolarHBondContact O-N 2.89Å
150D59.6Low67.4Low97 Ų97111.6 Ų111.652%0.51961%0.611SS.*  trans-65.5122.7175.9-146.2-12.8000109.4S147 F152S147-D150 PolarHBondContact O-N 3.3Å; D150-F152 PolarHBondContact O-N 2.8Å
151T61.9Low68.3Low128 Ų128104.6 Ų104.679%0.78559%0.59SS**SBendtrans-78.5-4.2-171.736.30000112.4H149H149-T151 PolarHBondContact O-N 2.89Å
152F63.8Low69Low161 Ų161103.7 Ų103.771%0.70659%0.586SS**SBendtrans-110.1136.5-179.6-60-77000110.8D150 N154D150-F152 PolarHBondContact O-N 2.8Å; F152-N154 PolarHBondContact O-N 2.7Å
153S63.8Low69.6Low89 Ų89102.6 Ų102.662%0.62259%0.589SS**  trans-57.1135.5174.8-52.20000110.4V155S153-V155 VanDerWaalsContact C-N 3.25Å; S153-V155 WeakPolarHBondContact O-CG2 3.49Å; S153-V155 PolarHBondContact O-N 2.93Å
154N71.8Confident70.4Confident71 Ų7197.4 Ų97.438%0.3858%0.579SS.*  trans-76.882.5174.7-170.5-28.6000109.3F152 V156 I157 E158F152-N154 PolarHBondContact O-N 2.7Å; N154-V156 PolarHBondContact O-N 3.45Å; N154-V156 PolarHBondContact OD1-N 2.94Å; N154-I157 HydrophobicContact CB-CB 4.19Å; N154-I157 HydrophobicContact CB-CG1 4.25Å; N154-I157 VanDerWaalsContact CG-CG1 3.42Å; N154-I157 WeakPolarHBondContact ND2-CG1 3.47Å; N154-I157 PolarHBondContact O-N 2.82Å; N154-I157 WeakPolarHBondContact OD1-CG1 3.24Å; N154-I157 PolarHBondContact OD1-N 2.88Å; N154-I157 VanDerWaalsContact OD1-N 3.16Å; N154-E158 WeakPolarHBondContact O-CB 3.42Å; N154-E158 PolarHBondContact O-N 3.4Å
155V78.6Confident70.8Confident108 Ų10899.3 Ų99.366%0.65558%0.583SS**Hα-helixtrans-55.4-28-175.7-1750000112.3S153 G159S153-V155 VanDerWaalsContact C-N 3.25Å; S153-V155 WeakPolarHBondContact O-CG2 3.49Å; S153-V155 PolarHBondContact O-N 2.93Å; V155-G159 PolarHBondContact O-N 2.99Å
156V77.3Confident71.4Confident108 Ų10898.5 Ų98.566%0.65557%0.57SS**Hα-helixtrans-70.8-46.6176.8-178.50000110.8N154 V160N154-V156 PolarHBondContact O-N 3.45Å; N154-V156 PolarHBondContact OD1-N 2.94Å; V156-V160 WeakPolarHBondContact O-CB 3.41Å; V156-V160 WeakPolarHBondContact O-CG2 3.35Å; V156-V160 PolarHBondContact O-N 3.22Å
157I78.4Confident71.6Confident89 Ų8999.4 Ų99.446%0.45658%0.576SS.*Hα-helixtrans-68.8-42177.3-62.3-64.4000110.6N154 V160 V161N154-I157 HydrophobicContact CB-CB 4.19Å; N154-I157 HydrophobicContact CB-CG1 4.25Å; N154-I157 VanDerWaalsContact CG-CG1 3.42Å; N154-I157 WeakPolarHBondContact ND2-CG1 3.47Å; N154-I157 PolarHBondContact O-N 2.82Å; N154-I157 WeakPolarHBondContact OD1-CG1 3.24Å; N154-I157 PolarHBondContact OD1-N 2.88Å; N154-I157 VanDerWaalsContact OD1-N 3.16Å; I157-V160 PolarHBondContact O-N 3.25Å; I157-V161 HydrophobicContact CG2-CG2 4.38Å; I157-V161 WeakPolarHBondContact O-CB 3.27Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.32Å; I157-V161 PolarHBondContact O-N 3.36Å
158E78.4Confident71.8Confident98 Ų98102.6 Ų102.646%0.45859%0.586SS.*Hα-helixtrans-58.7-50.3175.7-167.7173.4-173.100110.8N154 V160 V161 D162N154-E158 WeakPolarHBondContact O-CB 3.42Å; N154-E158 PolarHBondContact O-N 3.4Å; E158-V160 VanDerWaalsContact C-N 3.33Å; E158-V160 PolarHBondContact O-N 3.24Å; E158-V161 PolarHBondContact O-N 3.19Å; E158-D162 WeakPolarHBondContact O-CB 3.44Å; E158-D162 VanDerWaalsContact O-CG 3.31Å; E158-D162 PolarHBondContact O-N 2.94Å
159G79.4Confident71.8Confident42 Ų42105.5 Ų105.543%0.43358%0.579SS.*Hα-helixtrans-64.3-32177.400000114.2V155 G163V155-G159 PolarHBondContact O-N 2.99Å; G159-G163 PolarHBondContact O-N 2.92Å
160V84.6Confident71.9Confident85 Ų85105.5 Ų105.552%0.51558%0.579SS.*Hα-helixtrans-71.4-42.4173.5169.90000110.9V156 I157 E158 D162 G163 V164V156-V160 WeakPolarHBondContact O-CB 3.41Å; V156-V160 WeakPolarHBondContact O-CG2 3.35Å; V156-V160 PolarHBondContact O-N 3.22Å; I157-V160 PolarHBondContact O-N 3.25Å; E158-V160 VanDerWaalsContact C-N 3.33Å; E158-V160 PolarHBondContact O-N 3.24Å; V160-D162 VanDerWaalsContact C-N 3.32Å; V160-G163 PolarHBondContact O-N 2.92Å; V160-V164 HydrophobicContact CG1-CG2 4.21Å; V160-V164 WeakPolarHBondContact O-CB 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.16Å; V160-V164 PolarHBondContact O-N 3.44Å
161V82.2Confident71.8Confident57 Ų57106.9 Ų106.935%0.34559%0.594SS.*Hα-helixtrans-62.3-44175.9168.90000110.1I157 E158 V164 F165 Y166I157-V161 HydrophobicContact CG2-CG2 4.38Å; I157-V161 WeakPolarHBondContact O-CB 3.27Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.32Å; I157-V161 PolarHBondContact O-N 3.36Å; E158-V161 PolarHBondContact O-N 3.19Å; V161-V164 PolarHBondContact O-N 2.81Å; V161-F165 HydrophobicContact CG1-CD2 4.14Å; V161-F165 WeakPolarHBondContact O-CB 3.16Å; V161-F165 WeakPolarHBondContact O-CD2 3.47Å; V161-F165 PolarHBondContact O-N 3.07Å; V161-Y166 HydrophobicContact CG1-CE2 4.37Å
162D80.3Confident71.2Confident63 Ų63116 Ų11634%0.33761%0.614SS.*Hα-helixtrans-63.6-46.3176.4-69.9-14.7000111.6E158 V160 V164 Y166E158-D162 WeakPolarHBondContact O-CB 3.44Å; E158-D162 VanDerWaalsContact O-CG 3.31Å; E158-D162 PolarHBondContact O-N 2.94Å; V160-D162 VanDerWaalsContact C-N 3.32Å; D162-V164 VanDerWaalsContact C-N 3.34Å; D162-V164 PolarHBondContact O-N 3.21Å; D162-Y166 CarbonylContact O-C 3.55Å; D162-Y166 VanDerWaalsContact O-CA 3.22Å; D162-Y166 WeakPolarHBondContact O-CA 3.33Å; D162-Y166 WeakPolarHBondContact O-CB 3.48Å; D162-Y166 PolarHBondContact O-N 2.92Å; D162-Y166 VanDerWaalsContact O-O 3.09Å
163G76.8Confident71.6Confident58 Ų58113.7 Ų113.760%0.59861%0.609SS**Hα-helixtrans-66.8-30.6179.700000114.5G159 V160G159-G163 PolarHBondContact O-N 2.92Å; V160-G163 PolarHBondContact O-N 2.92Å
164V79.4Confident72Confident97 Ų97115 Ų11559%0.58861%0.608SS**Hα-helixtrans-89.7-38.4-178.5174.90000112V160 V161 D162V160-V164 HydrophobicContact CG1-CG2 4.21Å; V160-V164 WeakPolarHBondContact O-CB 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.16Å; V160-V164 PolarHBondContact O-N 3.44Å; V161-V164 PolarHBondContact O-N 2.81Å; D162-V164 VanDerWaalsContact C-N 3.34Å; D162-V164 PolarHBondContact O-N 3.21Å
165F77.2Confident72Confident147 Ų147117.4 Ų117.465%0.64562%0.621SS**Hα-helixtrans-111.9-16.9-170.4-60.5-77.1000114.2V161 P167V161-F165 HydrophobicContact CG1-CD2 4.14Å; V161-F165 WeakPolarHBondContact O-CB 3.16Å; V161-F165 WeakPolarHBondContact O-CD2 3.47Å; V161-F165 PolarHBondContact O-N 3.07Å; F165-P167 VanDerWaalsContact C-CD 3.48Å
166Y71.1Confident71.6Confident132 Ų132118 Ų11852%0.51862%0.619SS.*  trans-13064.5-179.4-59.9-79.9000112.2V161 D162 D168V161-Y166 HydrophobicContact CG1-CE2 4.37Å; D162-Y166 CarbonylContact O-C 3.55Å; D162-Y166 VanDerWaalsContact O-CA 3.22Å; D162-Y166 WeakPolarHBondContact O-CA 3.33Å; D162-Y166 WeakPolarHBondContact O-CB 3.48Å; D162-Y166 PolarHBondContact O-N 2.92Å; D162-Y166 VanDerWaalsContact O-O 3.09Å; Y166-D168 PolarHBondContact O-N 3.41Å
167P64.4Low71.3Confident90 Ų90118.6 Ų118.658%0.58462%0.617SS**THydrogen-bonded Turntrans-64.6-9-176.928-35.6000114.5F165 F169F165-P167 VanDerWaalsContact C-CD 3.48Å; P167-F169 PolarHBondContact O-N 3.32Å
168D63.8Low70.8Confident154 Ų154120.6 Ų120.682%0.82463%0.627SS**THydrogen-bonded Turntrans-83.9-3.4-174.4-61.7-36.6000114.3Y166 Q170Y166-D168 PolarHBondContact O-N 3.41Å; D168-Q170 VanDerWaalsContact C-N 3.26Å; D168-Q170 PolarHBondContact O-N 3.27Å
169F59.1Low70.3Confident169 Ų169122.2 Ų122.274%0.74164%0.64SS**  trans-86.744.6175.8-76.5-76.7000113.6P167P167-F169 PolarHBondContact O-N 3.32Å
170Q57.6Low69.6Low172 Ų172128.4 Ų128.480%0.80466%0.655SS**  trans-84.6124.9164.6-73.8-164.8-52.700110.2D168 R172D168-Q170 VanDerWaalsContact C-N 3.26Å; D168-Q170 PolarHBondContact O-N 3.27Å; Q170-R172 PolarHBondContact O-N 3.26Å
171P58.8Low68.3Low126 Ų126132 Ų13282%0.81867%0.667SS**  trans-66.9132.2168.328.2-30000108.9
172R49.2Very low67Low319 Ų319138.8 Ų138.8100%1.20470%0.696SS**  trans-67.50167.2-76.5-172-163.2165.95.6111.3Q170Q170-R172 PolarHBondContact O-N 3.26Å

Retrieved 172 of 172 residues in 155.6 ms (Link to these results)

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