A0A096LPC8_HUMAN Loading...

Oxysterol binding protein like 9

AlphaFold DB , UniProt , Accession A0A096LPC8, Species HUMAN (Homo sapiens, Human), Gene OSBPL9, Length 129 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
1E89.1Confident89.5Confident131 Ų131110.1 Ų110.161%0.61256%0.557SS**  0134.50-61.7-51.1132.300109.8F3 S10 S13E1-F3 HydrophobicContact CB-CD2 4.42Å; E1-F3 HydrophobicContact CB-CE1 4.42Å; E1-F3 HydrophobicContact CB-CE2 3.49Å; E1-F3 VanDerWaalsContact CB-CE2 3.49Å; E1-F3 HydrophobicContact CB-CZ 3.49Å; E1-F3 VanDerWaalsContact CB-CZ 3.49Å; E1-F3 HydrophobicContact CG-CZ 4.29Å; E1-S10 WeakPolarHBondContact OE2-CB 3.21Å; E1-S10 PolarHBondContact OE2-OG 3.5Å; E1-S13 WeakPolarHBondContact OE1-CB 3.44Å
2I89.7Confident89.9Confident63 Ų63101.4 Ų101.432%0.32351%0.514SS..EExtended strand (participates in β ladder)trans-111.3131.9173.8-44.7-169.5000108.7S10 F11 C12 I14I2-S10 VanDerWaalsContact O-CA 3.27Å; I2-S10 WeakPolarHBondContact O-CA 3.18Å; I2-S10 WeakPolarHBondContact O-CB 3.36Å; I2-F11 HydrophobicContact CB-CE1 3.88Å; I2-F11 HydrophobicContact CB-CE2 4.26Å; I2-F11 HydrophobicContact CB-CZ 3.73Å; I2-F11 HydrophobicContact CG2-CE1 3.47Å; I2-F11 VanDerWaalsContact CG2-CE1 3.47Å; I2-F11 HydrophobicContact CG2-CE2 4.25Å; I2-F11 HydrophobicContact CG2-CZ 3.3Å; I2-F11 VanDerWaalsContact O-CD1 3.32Å; I2-F11 WeakPolarHBondContact O-CD1 3.22Å; I2-F11 PolarHBondContact O-N 3.48Å; I2-C12 PolarHBondContact N-O 3.21Å; I2-I14 HydrophobicContact CD1-CD1 4.01Å; I2-I14 HydrophobicContact CD1-CG1 3.81Å; I2-I14 HydrophobicContact CG1-CG1 4.26Å
3F91.3Very high90.3Very high105 Ų10595.2 Ų95.246%0.46149%0.486SS..EExtended strand (participates in β ladder)trans-118.6146.8-174.6-57.4-88.3000110.9E1 K8E1-F3 HydrophobicContact CB-CD2 4.42Å; E1-F3 HydrophobicContact CB-CE1 4.42Å; E1-F3 HydrophobicContact CB-CE2 3.49Å; E1-F3 VanDerWaalsContact CB-CE2 3.49Å; E1-F3 HydrophobicContact CB-CZ 3.49Å; E1-F3 VanDerWaalsContact CB-CZ 3.49Å; E1-F3 HydrophobicContact CG-CZ 4.29Å; F3-K8 WeakPolarHBondContact CE1-O 3.27Å
4S89.2Confident90.8Very high55 Ų5592.5 Ų92.539%0.38547%0.472SS..  trans-72.7152.9165.5-64.30000109.7N6 D7S4-N6 PolarHBondContact O-N 3.34Å; S4-D7 PolarHBondContact O-N 2.92Å
5P88.3Confident91.1Very high130 Ų13091.8 Ų91.884%0.84447%0.466SS*.THydrogen-bonded Turntrans-52.1-23-173.9-30.235.8000116.2
6N91Very high91.4Very high166 Ų16689.8 Ų89.889%0.88848%0.475SS*.THydrogen-bonded Turntrans-124.26.4-177.5-61.6-38.6000114S4S4-N6 PolarHBondContact O-N 3.34Å
7D88.6Confident91.8Very high87 Ų8791.4 Ų91.447%0.46548%0.479SS..  trans-109.9136.9-175-158.2-14.6000111.7S4 K9S4-D7 PolarHBondContact O-N 2.92Å; D7-K9 PolarHBondContact OD1-N 3.42Å
8K86.6Confident92Very high200 Ų20097.5 Ų97.587%0.8750%0.495SS*.SBendtrans-85.8-18.3172.8-66.1-174.3179.6-178.40112F3F3-K8 WeakPolarHBondContact CE1-O 3.27Å
9K88.9Confident92.2Very high149 Ų14997.2 Ų97.265%0.64850%0.495SS*.SBendtrans-86.1128.3174.5-169.1177.8177.6-178.40109.1D7D7-K9 PolarHBondContact OD1-N 3.42Å
10S90.6Very high92.4Very high33 Ų3392.4 Ų92.423%0.23147%0.47CS..EExtended strand (participates in β ladder)trans-72.3144.7173.960.60000110.8E1 I2E1-S10 WeakPolarHBondContact OE2-CB 3.21Å; E1-S10 PolarHBondContact OE2-OG 3.5Å; I2-S10 VanDerWaalsContact O-CA 3.27Å; I2-S10 WeakPolarHBondContact O-CA 3.18Å; I2-S10 WeakPolarHBondContact O-CB 3.36Å
11F91.1Very high92.7Very high92 Ų9289.6 Ų89.640%0.40446%0.458SS..EExtended strand (participates in β ladder)trans-92.6-24.3174.866.2-97.2000112.2I2 A27I2-F11 HydrophobicContact CB-CE1 3.88Å; I2-F11 HydrophobicContact CB-CE2 4.26Å; I2-F11 HydrophobicContact CB-CZ 3.73Å; I2-F11 HydrophobicContact CG2-CE1 3.47Å; I2-F11 VanDerWaalsContact CG2-CE1 3.47Å; I2-F11 HydrophobicContact CG2-CE2 4.25Å; I2-F11 HydrophobicContact CG2-CZ 3.3Å; I2-F11 VanDerWaalsContact O-CD1 3.32Å; I2-F11 WeakPolarHBondContact O-CD1 3.22Å; I2-F11 PolarHBondContact O-N 3.48Å; F11-A27 PolarHBondContact O-N 3.07Å
12C94.6Very high93.1Very high6 Ų685.3 Ų85.34%0.04144%0.439CS..EExtended strand (participates in β ladder)trans-156.6164.8169.770.10000111.9I2 K25 Y26I2-C12 PolarHBondContact N-O 3.21Å; C12-K25 CarbonylContact C-O 3.34Å; C12-K25 WeakPolarHBondContact CA-O 3.49Å; C12-K25 VanDerWaalsContact CB-O 3.28Å; C12-K25 WeakPolarHBondContact CB-O 3.4Å; C12-Y26 HydrophobicContact CB-CD1 3.75Å; C12-Y26 HydrophobicContact CB-CE1 4.07Å; C12-Y26 HydrophobicContact CB-CG 4.25Å
13S95.6Very high93.5Very high21 Ų2186.7 Ų86.715%0.14744%0.44CS..EExtended strand (participates in β ladder)trans-116.6152.9167.471.70000110.3E1 A24 K25E1-S13 WeakPolarHBondContact OE1-CB 3.44Å; S13-A24 WeakPolarHBondContact O-CA 3.48Å; S13-K25 PolarHBondContact N-O 3.1Å; S13-K25 PolarHBondContact O-N 3.37Å
14I96.6Very high93.8Very high57 Ų5781.8 Ų81.829%0.29242%0.419SS..EExtended strand (participates in β ladder)trans-109.3127.1173.2-56-57.9000107.4I2 M22 Y23 A24 F34I2-I14 HydrophobicContact CD1-CD1 4.01Å; I2-I14 HydrophobicContact CD1-CG1 3.81Å; I2-I14 HydrophobicContact CG1-CG1 4.26Å; I14-M22 HydrophobicContact CG2-CB 4.03Å; I14-M22 HydrophobicContact CG2-CG 4.49Å; I14-M22 HydrophobicContact CG2-SD 4.32Å; I14-Y23 VanDerWaalsContact CA-O 3.31Å; I14-Y23 WeakPolarHBondContact CA-O 3.47Å; I14-A24 HydrophobicContact CD1-CB 3.79Å; I14-F34 HydrophobicContact CD1-CB 4.32Å; I14-F34 HydrophobicContact CD1-CD1 3.99Å; I14-F34 HydrophobicContact CD1-CD2 4.3Å; I14-F34 HydrophobicContact CD1-CE1 4.41Å; I14-F34 HydrophobicContact CD1-CG 3.94Å; I14-F34 HydrophobicContact CG2-CD1 4.15Å
15E95.8Very high94.1Very high82 Ų8283.8 Ų83.838%0.38342%0.421SS..EExtended strand (participates in β ladder)trans-132.1165.4178.465.4-175.8-168.300111.1M22 Y23 N31E15-M22 CarbonylContact O-C 3.5Å; E15-M22 VanDerWaalsContact O-CA 3.31Å; E15-M22 WeakPolarHBondContact O-CA 3.19Å; E15-Y23 PolarHBondContact N-O 3.25Å; E15-Y23 PolarHBondContact O-N 3.41Å; E15-N31 PolarHBondContact OE1-ND2 2.85Å
16G96.2Very high94.4Very high59 Ų5981.8 Ų81.861%0.60840%0.397SS*.EExtended strand (participates in β ladder)trans110.2-150.7179.200000113.7
17E97.5Very high94.2Very high117 Ų11777.6 Ų77.655%0.54739%0.385SS..  trans-112.4120-169.4-68.5175.8-16400111.2N19 G20 V21 M22E17-N19 PolarHBondContact O-N 3.32Å; E17-G20 CarbonylContact O-C 3.54Å; E17-G20 PolarHBondContact O-N 3.23Å; E17-V21 PolarHBondContact N-O 3.17Å; E17-V21 PolarHBondContact O-N 3.05Å; E17-M22 WeakPolarHBondContact O-CG 3.44Å
18W95.9Very high94.2Very high202 Ų20279.1 Ų79.177%0.76540%0.398SS*.THydrogen-bonded Turntrans-62.9-22.9179.266.4-94.2000113.6M22 T37W18-M22 HydrophobicContact CB-SD 4.43Å; W18-T37 WeakPolarHBondContact O-CG2 3.31Å
19N95.8Very high94.2Very high91 Ų9172.4 Ų72.449%0.48739%0.386SS..THydrogen-bonded Turntrans-104.313.6174.665.9-19.4000113E17 T37E17-N19 PolarHBondContact O-N 3.32Å; N19-T37 PolarHBondContact O-OG1 3.05Å
20G96.6Very high94.4Very high1 Ų170.5 Ų70.51%0.0138%0.379CS..SBendtrans-139.2-119.7-17900000109.9E17 T37E17-G20 CarbonylContact O-C 3.54Å; E17-G20 PolarHBondContact O-N 3.23Å; G20-T37 PolarHBondContact N-OG1 2.88Å; G20-T37 PolarHBondContact O-N 3.24Å; G20-T37 PolarHBondContact O-OG1 3.16Å
21V97.9Very high94.6Very high34 Ų3472.7 Ų72.721%0.20639%0.388CS..EExtended strand (participates in β ladder)trans-110.9127.5177.8-169.90000109.1E17 Y23 V33 V35 D36E17-V21 PolarHBondContact N-O 3.17Å; E17-V21 PolarHBondContact O-N 3.05Å; V21-Y23 HydrophobicContact CB-CE2 3.98Å; V21-Y23 HydrophobicContact CG1-CD2 4.25Å; V21-Y23 HydrophobicContact CG1-CE1 4.09Å; V21-Y23 HydrophobicContact CG1-CE2 3.68Å; V21-V33 HydrophobicContact CG1-CG1 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.24Å; V21-V35 WeakPolarHBondContact CA-O 3.34Å; V21-D36 HydrophobicContact CG2-CB 4.35Å
22M97.9Very high94.9Very high42 Ų4270.6 Ų70.621%0.20738%0.383CS..EExtended strand (participates in β ladder)trans-104.6140.5168-67.5-178.2-72.700109.2I14 E15 E17 W18 F34 V35I14-M22 HydrophobicContact CG2-CB 4.03Å; I14-M22 HydrophobicContact CG2-CG 4.49Å; I14-M22 HydrophobicContact CG2-SD 4.32Å; E15-M22 CarbonylContact O-C 3.5Å; E15-M22 VanDerWaalsContact O-CA 3.31Å; E15-M22 WeakPolarHBondContact O-CA 3.19Å; E17-M22 WeakPolarHBondContact O-CG 3.44Å; W18-M22 HydrophobicContact CB-SD 4.43Å; M22-F34 HydrophobicContact CB-CD1 4.29Å; M22-F34 WeakPolarHBondContact O-CB 3.41Å; M22-F34 PolarHBondContact O-N 3.39Å; M22-V35 HydrophobicContact CE-CB 3.93Å; M22-V35 HydrophobicContact CE-CG1 4.06Å; M22-V35 PolarHBondContact N-O 2.93Å; M22-V35 PolarHBondContact O-N 3.47Å; M22-V35 VanDerWaalsContact O-N 3.11Å
23Y97.8Very high95Very high92 Ų9274.4 Ų74.436%0.36141%0.406SS..EExtended strand (participates in β ladder)trans-116.3143.4-180-60.1-95.4000110.7I14 E15 V21 N31 T32 V33I14-Y23 VanDerWaalsContact CA-O 3.31Å; I14-Y23 WeakPolarHBondContact CA-O 3.47Å; E15-Y23 PolarHBondContact N-O 3.25Å; E15-Y23 PolarHBondContact O-N 3.41Å; V21-Y23 HydrophobicContact CB-CE2 3.98Å; V21-Y23 HydrophobicContact CG1-CD2 4.25Å; V21-Y23 HydrophobicContact CG1-CE1 4.09Å; V21-Y23 HydrophobicContact CG1-CE2 3.68Å; Y23-N31 VanDerWaalsContact CB-OD1 3.23Å; Y23-N31 WeakPolarHBondContact CB-OD1 3.42Å; Y23-T32 CarbonylContact C-O 3.47Å; Y23-T32 WeakPolarHBondContact CA-O 2.98Å; Y23-T32 WeakPolarHBondContact CB-O 3.33Å; Y23-V33 HydrophobicContact CD1-CG2 4.06Å; Y23-V33 HydrophobicContact CE1-CG2 3.69Å
24A97.2Very high95Very high1 Ų178.7 Ų78.71%0.00842%0.422CS..EExtended strand (participates in β ladder)trans-96.9115.6169.800000109.1S13 I14 Y26 N31 T32 F34S13-A24 WeakPolarHBondContact O-CA 3.48Å; I14-A24 HydrophobicContact CD1-CB 3.79Å; A24-Y26 HydrophobicContact CB-CE2 3.81Å; A24-N31 WeakPolarHBondContact O-CA 3.49Å; A24-N31 PolarHBondContact O-OD1 3.41Å; A24-T32 PolarHBondContact N-O 3.06Å; A24-T32 PolarHBondContact O-N 2.81Å; A24-F34 HydrophobicContact CB-CB 4.03Å
25K96.3Very high95Very high97 Ų9777.6 Ų77.642%0.42242%0.418SS..EExtended strand (participates in β ladder)trans-99.9109.2175.3-175.1178.1-176173.70109.2C12 S13 E30C12-K25 CarbonylContact C-O 3.34Å; C12-K25 WeakPolarHBondContact CA-O 3.49Å; C12-K25 VanDerWaalsContact CB-O 3.28Å; C12-K25 WeakPolarHBondContact CB-O 3.4Å; S13-K25 PolarHBondContact N-O 3.1Å; S13-K25 PolarHBondContact O-N 3.37Å; K25-E30 WeakPolarHBondContact CA-O 3.41Å
26Y93.9Very high95.1Very high89 Ų8974.9 Ų74.935%0.34941%0.406SS..EExtended strand (participates in β ladder)trans-84.4155.8-177.7-67.3-85.9000111.5C12 A24 T28 G29 E30C12-Y26 HydrophobicContact CB-CD1 3.75Å; C12-Y26 HydrophobicContact CB-CE1 4.07Å; C12-Y26 HydrophobicContact CB-CG 4.25Å; A24-Y26 HydrophobicContact CB-CE2 3.81Å; Y26-T28 WeakPolarHBondContact CB-OG1 3.28Å; Y26-T28 PolarHBondContact O-N 2.73Å; Y26-G29 PolarHBondContact O-N 3.46Å; Y26-E30 HydrophobicContact CD2-CB 4.32Å; Y26-E30 PolarHBondContact N-O 3.14Å
27A87.4Confident95.1Very high77 Ų7774.5 Ų74.564%0.63639%0.392SS*.THydrogen-bonded Turntrans-60-17.6174.400000113.5F11 G29F11-A27 PolarHBondContact O-N 3.07Å; A27-G29 PolarHBondContact O-N 3.34Å
28T88.1Confident95Very high119 Ų11976.8 Ų76.873%0.7340%0.4SS*.THydrogen-bonded Turntrans-71.7-10.1172.756.40000113.6Y26 E30Y26-T28 WeakPolarHBondContact CB-OG1 3.28Å; Y26-T28 PolarHBondContact O-N 2.73Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 WeakPolarHBondContact OG1-CB 3.44Å; T28-E30 PolarHBondContact OG1-N 3.11Å
29G86.4Confident95Very high60 Ų6075 Ų7562%0.61940%0.398SS*.SBendtrans89.1-6.1-172.700000113.9Y26 A27Y26-G29 PolarHBondContact O-N 3.46Å; A27-G29 PolarHBondContact O-N 3.34Å
30E93.3Very high95Very high109 Ų10975.6 Ų75.651%0.50940%0.4SS..  trans-67.1136.6175-168.5-175.7172.600111K25 Y26 T28 T32K25-E30 WeakPolarHBondContact CA-O 3.41Å; Y26-E30 HydrophobicContact CD2-CB 4.32Å; Y26-E30 PolarHBondContact N-O 3.14Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 WeakPolarHBondContact OG1-CB 3.44Å; T28-E30 PolarHBondContact OG1-N 3.11Å; E30-T32 HydrophobicContact CG-CG2 3.92Å; E30-T32 WeakPolarHBondContact OE1-CG2 3.32Å
31N95.4Very high94.9Very high79 Ų7980.7 Ų80.742%0.42243%0.433SS..EExtended strand (participates in β ladder)trans-127.4111.4175.7-161.87000109.8E15 Y23 A24E15-N31 PolarHBondContact OE1-ND2 2.85Å; Y23-N31 VanDerWaalsContact CB-OD1 3.23Å; Y23-N31 WeakPolarHBondContact CB-OD1 3.42Å; A24-N31 WeakPolarHBondContact O-CA 3.49Å; A24-N31 PolarHBondContact O-OD1 3.41Å
32T96.6Very high94.8Very high48 Ų4886.4 Ų86.429%0.29446%0.461SS..EExtended strand (participates in β ladder)trans-124.5156.2-17654.80000111.5Y23 A24 E30 F34Y23-T32 CarbonylContact C-O 3.47Å; Y23-T32 WeakPolarHBondContact CA-O 2.98Å; Y23-T32 WeakPolarHBondContact CB-O 3.33Å; A24-T32 PolarHBondContact N-O 3.06Å; A24-T32 PolarHBondContact O-N 2.81Å; E30-T32 HydrophobicContact CG-CG2 3.92Å; E30-T32 WeakPolarHBondContact OE1-CG2 3.32Å; T32-F34 PolarHBondContact O-N 2.86Å; T32-F34 VanDerWaalsContact O-N 3.14Å
33V96.8Very high94.7Very high85 Ų8591.8 Ų91.852%0.51549%0.489SS..EExtended strand (participates in β ladder)trans-64.7116.6174.3176.50000108.8V21 Y23 D36V21-V33 HydrophobicContact CG1-CG1 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.24Å; Y23-V33 HydrophobicContact CD1-CG2 4.06Å; Y23-V33 HydrophobicContact CE1-CG2 3.69Å; V33-D36 HydrophobicContact CG1-CB 4.32Å
34F96.2Very high94.6Very high111 Ų11196.1 Ų96.149%0.48751%0.51SS..EExtended strand (participates in β ladder)trans-81.4-54.4173.3174.4-120.7000110.1I14 M22 A24 T32I14-F34 HydrophobicContact CD1-CB 4.32Å; I14-F34 HydrophobicContact CD1-CD1 3.99Å; I14-F34 HydrophobicContact CD1-CD2 4.3Å; I14-F34 HydrophobicContact CD1-CE1 4.41Å; I14-F34 HydrophobicContact CD1-CG 3.94Å; I14-F34 HydrophobicContact CG2-CD1 4.15Å; M22-F34 HydrophobicContact CB-CD1 4.29Å; M22-F34 WeakPolarHBondContact O-CB 3.41Å; M22-F34 PolarHBondContact O-N 3.39Å; A24-F34 HydrophobicContact CB-CB 4.03Å; T32-F34 PolarHBondContact O-N 2.86Å; T32-F34 VanDerWaalsContact O-N 3.14Å
35V97.1Very high94.5Very high35 Ų35105.1 Ų105.121%0.21255%0.548CS..EExtended strand (participates in β ladder)trans-145.9130.7-178.8170.10000109.5V21 M22 T37 L40V21-V35 WeakPolarHBondContact CA-O 3.34Å; M22-V35 HydrophobicContact CE-CB 3.93Å; M22-V35 HydrophobicContact CE-CG1 4.06Å; M22-V35 PolarHBondContact N-O 2.93Å; M22-V35 PolarHBondContact O-N 3.47Å; M22-V35 VanDerWaalsContact O-N 3.11Å; V35-T37 HydrophobicContact CG1-CG2 3.9Å; V35-L40 HydrophobicContact CG1-CD1 3.76Å
36D97.3Very high94.5Very high24 Ų24110.6 Ų110.613%0.12857%0.572CS.*EExtended strand (participates in β ladder)trans-111.398.6167.6-175.7-20.6000108.8V21 V33 K38 K39 L40V21-D36 HydrophobicContact CG2-CB 4.35Å; V33-D36 HydrophobicContact CG1-CB 4.32Å; D36-K38 PolarHBondContact O-N 2.98Å; D36-K38 WeakPolarHBondContact OD1-CB 3.43Å; D36-K38 PolarHBondContact OD1-N 3.4Å; D36-K39 HydrophobicContact CB-CB 4.25Å; D36-K39 HydrophobicContact CB-CD 4.25Å; D36-K39 HydrophobicContact CB-CG 4.32Å; D36-K39 PolarHBondContact O-N 3.15Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 PolarHBondContact OD1-N 3.2Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CE 3.18Å; D36-K39 WeakPolarHBondContact OD2-CG 3.31Å; D36-K39 IonicContact OD2-NZ 3.55Å; D36-K39 PolarHBondContact OD2-NZ 3.06Å; D36-L40 PolarHBondContact O-N 3.3Å
37T96.4Very high94.5Very high51 Ų51109.6 Ų109.631%0.31358%0.575SS.*THydrogen-bonded Turntrans-64.4-20.5-175.961.20000113.3W18 N19 G20 V35W18-T37 WeakPolarHBondContact O-CG2 3.31Å; N19-T37 PolarHBondContact O-OG1 3.05Å; G20-T37 PolarHBondContact N-OG1 2.88Å; G20-T37 PolarHBondContact O-N 3.24Å; G20-T37 PolarHBondContact O-OG1 3.16Å; V35-T37 HydrophobicContact CG1-CG2 3.9Å
38K95.2Very high95Very high166 Ų166112.5 Ų112.572%0.72257%0.57SS**THydrogen-bonded Turntrans-79.8-21.6178.1-61.6178.7178.9171.80112.2D36D36-K38 PolarHBondContact O-N 2.98Å; D36-K38 WeakPolarHBondContact OD1-CB 3.43Å; D36-K38 PolarHBondContact OD1-N 3.4Å
39K96.1Very high95.4Very high165 Ų165113 Ų11372%0.71756%0.562SS**THydrogen-bonded Turntrans-95.1-21177.6-68.4-176.6-177.3124.60113.7D36D36-K39 HydrophobicContact CB-CB 4.25Å; D36-K39 HydrophobicContact CB-CD 4.25Å; D36-K39 HydrophobicContact CB-CG 4.32Å; D36-K39 PolarHBondContact O-N 3.15Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 PolarHBondContact OD1-N 3.2Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CE 3.18Å; D36-K39 WeakPolarHBondContact OD2-CG 3.31Å; D36-K39 IonicContact OD2-NZ 3.55Å; D36-K39 PolarHBondContact OD2-NZ 3.06Å
40L95.4Very high95.8Very high103 Ų103113.9 Ų113.954%0.53955%0.552SS.*SBendtrans-71.3128.8179.9-71.3178.7000111.4V35 D36V35-L40 HydrophobicContact CG1-CD1 3.76Å; D36-L40 PolarHBondContact O-N 3.3Å
41P95.1Very high96Very high107 Ų107115.8 Ų115.870%0.69556%0.561SS**  trans-69.9138.3175.428.8-33.8000111.1I43P41-I43 PolarHBondContact O-N 3.07Å
42I95.2Very high96.1Very high154 Ų154116.4 Ų116.479%0.7956%0.564SS**  trans-83.3107.5175.6-58.8173.7000109.4K44I42-K44 PolarHBondContact O-N 3.34Å
43I95.4Very high96.1Very high156 Ų156115 Ų11580%0.855%0.554SS**  trans-85.5106.4173.8-54.3175.5000109P41P41-I43 PolarHBondContact O-N 3.07Å
44K95.4Very high96.1Very high182 Ų182115.6 Ų115.679%0.79155%0.554SS**PPolyproline II helixtrans-72.6137.6179.6-64.2-178.7-179.3175.90111I42 K46I42-K44 PolarHBondContact O-N 3.34Å; K44-K46 PolarHBondContact O-N 3.36Å
45K94.8Very high96Very high190 Ų190115.2 Ų115.283%0.82655%0.554SS**PPolyproline II helixtrans-60.6133.5169.9-66.3-174.5178-177.10110.2V47K45-V47 HydrophobicContact CB-CG2 4.46Å
46K96.1Very high95.9Very high213 Ų213118.4 Ų118.493%0.92656%0.563SS**PPolyproline II helixtrans-79.7131.6166.8-65.4-177.5-179.1179.10108.5K44K44-K46 PolarHBondContact O-N 3.36Å
47V95.8Very high95.9Very high68 Ų68119.4 Ų119.441%0.41257%0.567SS.*  trans-134.2145.7-178.4-174.30000107.6K45K45-V47 HydrophobicContact CB-CG2 4.46Å
48R96.8Very high95.9Very high138 Ų138121.3 Ų121.352%0.52158%0.582SS.*  trans-55.9154.7173.9-70.9-168.2-64.9-91.4-3.3111.4D52 Q53 E57R48-D52 HydrophobicContact CB-CB 4.21Å; R48-D52 PolarHBondContact NE-O 3.01Å; R48-Q53 HydrophobicContact CB-CG 4.27Å; R48-Q53 PolarHBondContact O-NE2 2.87Å; R48-E57 IonicContact CZ-OE1 3.6Å; R48-E57 IonicContact CZ-OE2 2.73Å; R48-E57 VanDerWaalsContact NH2-CD 3.28Å; R48-E57 IonicContact NH2-OE1 3.98Å; R48-E57 PolarHBondContact NH2-OE1 3.18Å; R48-E57 IonicContact NH2-OE2 3.95Å; R48-E57 PolarHBondContact NH2-OE2 3.23Å
49K96.9Very high96Very high130 Ų130120 Ų12057%0.56557%0.573SS**  trans-62.5157.8173-62.6178.3179.7175.90110.1E51 D52 Q53K49-E51 VanDerWaalsContact C-N 3.26Å; K49-E51 HydrophobicContact CB-CG 3.95Å; K49-E51 HydrophobicContact CD-CG 4.22Å; K49-E51 VanDerWaalsContact CD-OE1 3.27Å; K49-E51 WeakPolarHBondContact CD-OE1 3.45Å; K49-E51 IonicContact NZ-OE1 3.17Å; K49-E51 PolarHBondContact NZ-OE1 3.2Å; K49-E51 PolarHBondContact O-N 2.83Å; K49-D52 PolarHBondContact O-N 2.96Å; K49-Q53 WeakPolarHBondContact O-CG 3.08Å; K49-Q53 PolarHBondContact O-N 2.83Å
50L95.4Very high96.1Very high78 Ų78113.9 Ų113.941%0.40855%0.551SS.*G310 helixtrans-60.9-35.5-179.8-74175000112.6D52 Q53 R59 K63L50-D52 PolarHBondContact O-N 3.45Å; L50-Q53 PolarHBondContact O-N 2.93Å; L50-R59 HydrophobicContact CD2-CB 3.65Å; L50-R59 WeakPolarHBondContact CD2-O 2.99Å; L50-K63 HydrophobicContact CD1-CD 4.31Å; L50-K63 HydrophobicContact CD1-CG 4.34Å
51E96.1Very high96.2Very high148 Ų148110.6 Ų110.669%0.69253%0.534SS*.G310 helixtrans-63.2-23.6175.865.8-152.9-153.900113.6K49K49-E51 VanDerWaalsContact C-N 3.26Å; K49-E51 HydrophobicContact CB-CG 3.95Å; K49-E51 HydrophobicContact CD-CG 4.22Å; K49-E51 VanDerWaalsContact CD-OE1 3.27Å; K49-E51 WeakPolarHBondContact CD-OE1 3.45Å; K49-E51 IonicContact NZ-OE1 3.17Å; K49-E51 PolarHBondContact NZ-OE1 3.2Å; K49-E51 PolarHBondContact O-N 2.83Å
52D97.2Very high96.3Very high92 Ų92109.8 Ų109.849%0.49252%0.517SS..G310 helixtrans-103.38.6-179.4-52.9-45.2000112.6R48 K49 L50R48-D52 HydrophobicContact CB-CB 4.21Å; R48-D52 PolarHBondContact NE-O 3.01Å; K49-D52 PolarHBondContact O-N 2.96Å; L50-D52 PolarHBondContact O-N 3.45Å
53Q97.6Very high96.5Very high19 Ų19107.7 Ų107.79%0.08950%0.502CS..SBendtrans-100.2140.6178.7-77-1784200110.8R48 K49 L50 E57R48-Q53 HydrophobicContact CB-CG 4.27Å; R48-Q53 PolarHBondContact O-NE2 2.87Å; K49-Q53 WeakPolarHBondContact O-CG 3.08Å; K49-Q53 PolarHBondContact O-N 2.83Å; L50-Q53 PolarHBondContact O-N 2.93Å; Q53-E57 HydrophobicContact CB-CB 4.13Å; Q53-E57 HydrophobicContact CG-CB 4.43Å; Q53-E57 WeakPolarHBondContact CG-OE2 3.27Å
54N96.3Very high96.6Very high97 Ų97104.4 Ų104.452%0.51949%0.486SS..  trans-66.5158.4171.7-59.8-72.1000111Y56 E57 S60N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.02Å; N54-E57 HydrophobicContact CB-CG 4.12Å; N54-E57 PolarHBondContact N-OE1 2.86Å; N54-E57 PolarHBondContact ND2-OE1 3.25Å; N54-E57 WeakPolarHBondContact O-CB 3.35Å; N54-E57 PolarHBondContact O-N 2.81Å; N54-S60 WeakPolarHBondContact O-CB 3.12Å
55E94.9Very high96.7Very high103 Ų10396.4 Ų96.448%0.48145%0.453SS..THydrogen-bonded Turntrans-53.8-43.1-176.6-174.6179178.100113.8E57 L61 R87E55-E57 VanDerWaalsContact C-N 3.35Å; E55-L61 PolarHBondContact O-N 3Å; E55-R87 IonicContact OE1-CZ 2.86Å; E55-R87 IonicContact OE1-NH1 3.64Å; E55-R87 PolarHBondContact OE1-NH1 2.94Å; E55-R87 IonicContact OE1-NH2 2.71Å
56Y95.3Very high96.9Very high102 Ų10291.1 Ų91.140%0.444%0.436SS..THydrogen-bonded Turntrans-89.16.3-178.8-63.4-78.6000114N54 L61 E91N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.02Å; Y56-L61 HydrophobicContact CD1-CD1 4.02Å; Y56-E91 PolarHBondContact OH-OE1 2.98Å
57E96.7Very high97Very high46 Ų4686.7 Ų86.722%0.21542%0.417CS..SBendtrans-72.3137.3169.1-72.3-176.5-128.300110.2R48 Q53 N54 E55 R59 S60 L61R48-E57 IonicContact CZ-OE1 3.6Å; R48-E57 IonicContact CZ-OE2 2.73Å; R48-E57 VanDerWaalsContact NH2-CD 3.28Å; R48-E57 IonicContact NH2-OE1 3.98Å; R48-E57 PolarHBondContact NH2-OE1 3.18Å; R48-E57 IonicContact NH2-OE2 3.95Å; R48-E57 PolarHBondContact NH2-OE2 3.23Å; Q53-E57 HydrophobicContact CB-CB 4.13Å; Q53-E57 HydrophobicContact CG-CB 4.43Å; Q53-E57 WeakPolarHBondContact CG-OE2 3.27Å; N54-E57 HydrophobicContact CB-CG 4.12Å; N54-E57 PolarHBondContact N-OE1 2.86Å; N54-E57 PolarHBondContact ND2-OE1 3.25Å; N54-E57 WeakPolarHBondContact O-CB 3.35Å; N54-E57 PolarHBondContact O-N 2.81Å; E55-E57 VanDerWaalsContact C-N 3.35Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.85Å; E57-S60 WeakPolarHBondContact O-CA 3.37Å; E57-S60 WeakPolarHBondContact O-CB 3.31Å; E57-S60 PolarHBondContact O-N 2.87Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 PolarHBondContact O-N 2.79Å
58S97.3Very high97.1Very high90 Ų9084.5 Ų84.563%0.62940%0.403SS*.Hα-helixtrans-55.2-38.6-163.5-47.90000114.8W62S58-W62 WeakPolarHBondContact O-CB 3.35Å; S58-W62 VanDerWaalsContact O-CD1 3.31Å; S58-W62 PolarHBondContact O-N 3.05Å
59R96.9Very high97.2Very high139 Ų13982.3 Ų82.353%0.52540%0.401SS..Hα-helixtrans-74.3-31.3179.9-58.2-175.2172.3-174.8-1.1112.5L50 E57 K63L50-R59 HydrophobicContact CD2-CB 3.65Å; L50-R59 WeakPolarHBondContact CD2-O 2.99Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.85Å; R59-K63 WeakPolarHBondContact O-CA 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 2.71Å
60S97.3Very high97.3Very high37 Ų3784.7 Ų84.726%0.25941%0.412SS..Hα-helixtrans-70.5-52.5173.8-164.30000110N54 E57 W62 K63N54-S60 WeakPolarHBondContact O-CB 3.12Å; E57-S60 WeakPolarHBondContact O-CA 3.37Å; E57-S60 WeakPolarHBondContact O-CB 3.31Å; E57-S60 PolarHBondContact O-N 2.87Å; S60-W62 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.26Å; S60-K63 VanDerWaalsContact O-CB 3.25Å; S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 3.03Å
61L97.7Very high97.4Very high34 Ų3485.4 Ų85.418%0.17842%0.415CS..Hα-helixtrans-58.7-41.7-177.5-169.664.8000112.8E55 Y56 E57 L84E55-L61 PolarHBondContact O-N 3Å; Y56-L61 HydrophobicContact CD1-CD1 4.02Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 PolarHBondContact O-N 2.79Å; L61-L84 HydrophobicContact CD1-CD1 3.65Å; L61-L84 HydrophobicContact CG-CD1 3.8Å; L61-L84 VanDerWaalsContact O-CD1 3.24Å; L61-L84 WeakPolarHBondContact O-CD1 3.28Å
62W98.1Very high97.5Very high89 Ų8988.7 Ų88.734%0.33742%0.421SS..THydrogen-bonded Turntrans-98.713.5-177.8-67.594000114S58 S60 D64 V65 T66 K81 L84S58-W62 WeakPolarHBondContact O-CB 3.35Å; S58-W62 VanDerWaalsContact O-CD1 3.31Å; S58-W62 PolarHBondContact O-N 3.05Å; S60-W62 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.26Å; W62-D64 PolarHBondContact O-N 2.87Å; W62-V65 HydrophobicContact CE3-CB 3.95Å; W62-V65 HydrophobicContact CE3-CG1 4.11Å; W62-V65 HydrophobicContact CE3-CG2 3.81Å; W62-V65 HydrophobicContact CZ3-CG1 4.37Å; W62-V65 HydrophobicContact CZ3-CG2 4.11Å; W62-V65 PolarHBondContact O-N 2.61Å; W62-T66 HydrophobicContact CB-CG2 4.25Å; W62-T66 WeakPolarHBondContact O-CB 3.16Å; W62-T66 WeakPolarHBondContact O-CG2 3.36Å; W62-T66 PolarHBondContact O-N 3.34Å; W62-T66 PolarHBondContact O-OG1 3.02Å; W62-K81 HydrophobicContact CZ3-CG 4.25Å; W62-L84 HydrophobicContact CD2-CD2 4.1Å; W62-L84 HydrophobicContact CE3-CD2 4.06Å; W62-L84 HydrophobicContact CH2-CD2 3.51Å; W62-L84 HydrophobicContact CZ2-CD2 3.54Å; W62-L84 HydrophobicContact CZ3-CD2 3.77Å
63K97.8Very high97.6Very high111 Ų11187.4 Ų87.448%0.48341%0.414SS..Hα-helixtrans-53.9-51.4-173.4178.4-170.5170.4-165.70112.3L50 R59 S60 T66 F67L50-K63 HydrophobicContact CD1-CD 4.31Å; L50-K63 HydrophobicContact CD1-CG 4.34Å; R59-K63 WeakPolarHBondContact O-CA 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 2.71Å; S60-K63 VanDerWaalsContact O-CB 3.25Å; S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 3.03Å; K63-T66 PolarHBondContact O-N 2.86Å; K63-T66 PolarHBondContact O-OG1 3.05Å; K63-T66 VanDerWaalsContact O-OG1 3.06Å; K63-F67 VanDerWaalsContact O-CB 3.27Å; K63-F67 WeakPolarHBondContact O-CB 3.27Å; K63-F67 PolarHBondContact O-N 2.91Å
64D98.1Very high97.6Very high87 Ų8791.3 Ų91.347%0.46544%0.435SS..Hα-helixtrans-70.3-40.7-173.4-65.2-15000111.9W62 F67 N68 A80W62-D64 PolarHBondContact O-N 2.87Å; D64-F67 PolarHBondContact O-N 2.93Å; D64-N68 WeakPolarHBondContact O-CB 3.25Å; D64-N68 VanDerWaalsContact O-CG 3.3Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 2.72Å; D64-A80 HydrophobicContact CB-CB 3.99Å
65V98.6Very high97.7Very high14 Ų1492.9 Ų92.99%0.08544%0.443CS..Hα-helixtrans-59.1-51174.7-179.20000110.3W62 F67 N68 L69 A80 K81W62-V65 HydrophobicContact CE3-CB 3.95Å; W62-V65 HydrophobicContact CE3-CG1 4.11Å; W62-V65 HydrophobicContact CE3-CG2 3.81Å; W62-V65 HydrophobicContact CZ3-CG1 4.37Å; W62-V65 HydrophobicContact CZ3-CG2 4.11Å; W62-V65 PolarHBondContact O-N 2.61Å; V65-F67 PolarHBondContact O-N 3.07Å; V65-N68 PolarHBondContact O-N 3.26Å; V65-L69 HydrophobicContact CG1-CD1 4.04Å; V65-L69 HydrophobicContact CG1-CG 4.5Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 3.24Å; V65-A80 HydrophobicContact CG2-CB 3.84Å; V65-K81 HydrophobicContact CG2-CB 4.04Å
66T98.1Very high97.9Very high78 Ų7889.3 Ų89.348%0.47943%0.431SS..Hα-helixtrans-69.4-32.2-177.556.80000112.9W62 K63 K70W62-T66 HydrophobicContact CB-CG2 4.25Å; W62-T66 WeakPolarHBondContact O-CB 3.16Å; W62-T66 WeakPolarHBondContact O-CG2 3.36Å; W62-T66 PolarHBondContact O-N 3.34Å; W62-T66 PolarHBondContact O-OG1 3.02Å; K63-T66 PolarHBondContact O-N 2.86Å; K63-T66 PolarHBondContact O-OG1 3.05Å; K63-T66 VanDerWaalsContact O-OG1 3.06Å; T66-K70 WeakPolarHBondContact O-CB 3.35Å; T66-K70 PolarHBondContact O-N 3.23Å
67F98.3Very high98.1Very high120 Ų12084.7 Ų84.753%0.52641%0.414SS..Hα-helixtrans-63.9-50.5172.4176.8-97.2000111.5K63 D64 V65 L69 K70 I71K63-F67 VanDerWaalsContact O-CB 3.27Å; K63-F67 WeakPolarHBondContact O-CB 3.27Å; K63-F67 PolarHBondContact O-N 2.91Å; D64-F67 PolarHBondContact O-N 2.93Å; V65-F67 PolarHBondContact O-N 3.07Å; F67-L69 PolarHBondContact O-N 2.95Å; F67-K70 WeakPolarHBondContact O-CB 3.35Å; F67-K70 PolarHBondContact O-N 3.18Å; F67-K70 VanDerWaalsContact O-N 3.11Å; F67-I71 HydrophobicContact CD1-CD1 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.94Å; F67-I71 HydrophobicContact CZ-CD1 4.49Å; F67-I71 HydrophobicContact CZ-CG2 4.4Å; F67-I71 PolarHBondContact O-N 2.89Å; F67-I71 VanDerWaalsContact O-N 3.15Å
68N98.6Very high98.2Very high22 Ų2286.2 Ų86.212%0.11843%0.427CS..Hα-helixtrans-64.1-41-179.9-69.5-25.6000111.9D64 V65 K70 I71 R72 D73 A76 A77D64-N68 WeakPolarHBondContact O-CB 3.25Å; D64-N68 VanDerWaalsContact O-CG 3.3Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 2.72Å; V65-N68 PolarHBondContact O-N 3.26Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.02Å; N68-I71 CarbonylContact O-C 3.56Å; N68-I71 VanDerWaalsContact O-CG1 3.29Å; N68-I71 WeakPolarHBondContact O-CG1 3.48Å; N68-I71 PolarHBondContact O-N 3.47Å; N68-R72 PolarHBondContact O-N 3.15Å; N68-D73 HydrophobicContact CB-CB 4.49Å; N68-D73 PolarHBondContact O-N 2.88Å; N68-A76 HydrophobicContact CB-CB 4.16Å; N68-A76 VanDerWaalsContact ND2-C 3.27Å; N68-A76 WeakPolarHBondContact ND2-CB 3.47Å; N68-A76 PolarHBondContact ND2-O 3.48Å; N68-A76 VanDerWaalsContact ND2-O 3.08Å; N68-A77 HydrophobicContact CB-CB 3.73Å
69L98.6Very high98.2Very high93 Ų9386.9 Ų86.949%0.48742%0.42SS..Hα-helixtrans-59-40172-73174.1000112.5V65 F67 I71 R72 I74 A77V65-L69 HydrophobicContact CG1-CD1 4.04Å; V65-L69 HydrophobicContact CG1-CG 4.5Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 3.24Å; F67-L69 PolarHBondContact O-N 2.95Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.26Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L69-I74 HydrophobicContact CD2-CD1 4.33Å; L69-A77 HydrophobicContact CD2-CB 3.98Å; L69-A77 HydrophobicContact CG-CB 3.99Å
70K98.2Very high98.3Very high180 Ų18080.6 Ų80.678%0.78340%0.398SS*.Hα-helixtrans-65.1-37.2179.8-176-179.4178.5-174.20112.3T66 F67 N68 R72T66-K70 WeakPolarHBondContact O-CB 3.35Å; T66-K70 PolarHBondContact O-N 3.23Å; F67-K70 WeakPolarHBondContact O-CB 3.35Å; F67-K70 PolarHBondContact O-N 3.18Å; F67-K70 VanDerWaalsContact O-N 3.11Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.02Å; K70-R72 VanDerWaalsContact C-N 3.27Å
71I98.4Very high98.4Very high93 Ų9382.9 Ų82.948%0.47740%0.403SS..THydrogen-bonded Turntrans-87.63.7175.566.2169.1000113F67 N68 L69 D73F67-I71 HydrophobicContact CD1-CD1 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.94Å; F67-I71 HydrophobicContact CZ-CD1 4.49Å; F67-I71 HydrophobicContact CZ-CG2 4.4Å; F67-I71 PolarHBondContact O-N 2.89Å; F67-I71 VanDerWaalsContact O-N 3.15Å; N68-I71 CarbonylContact O-C 3.56Å; N68-I71 VanDerWaalsContact O-CG1 3.29Å; N68-I71 WeakPolarHBondContact O-CG1 3.48Å; N68-I71 PolarHBondContact O-N 3.47Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.26Å; I71-D73 HydrophobicContact CD1-CB 4.06Å; I71-D73 HydrophobicContact CG1-CB 3.98Å; I71-D73 PolarHBondContact O-N 3.47Å
72R98.2Very high98.4Very high216 Ų21686.1 Ų86.182%0.81542%0.417SS*.THydrogen-bonded Turntrans62.226.3-179.4-56.2177.7165.7175.5-5.2114.4N68 L69 K70 I74N68-R72 PolarHBondContact O-N 3.15Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.12Å; K70-R72 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.11Å
73D98.4Very high98.4Very high66 Ų6688.2 Ų88.235%0.35343%0.425SS..  trans-86.892.4170.2-170.4-23.4000109N68 I71 D75 A76 A77N68-D73 HydrophobicContact CB-CB 4.49Å; N68-D73 PolarHBondContact O-N 2.88Å; I71-D73 HydrophobicContact CD1-CB 4.06Å; I71-D73 HydrophobicContact CG1-CB 3.98Å; I71-D73 PolarHBondContact O-N 3.47Å; D73-D75 PolarHBondContact OD1-N 3.42Å; D73-A76 HydrophobicContact CB-CB 4.16Å; D73-A76 VanDerWaalsContact OD1-CB 3.29Å; D73-A76 WeakPolarHBondContact OD1-CB 3.38Å; D73-A76 PolarHBondContact OD1-N 3.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.48Å; D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å; D73-A77 VanDerWaalsContact O-N 3.09Å
74I98.4Very high98.4Very high101 Ų10183.9 Ų83.952%0.51841%0.407SS..Hα-helixtrans-72.9-35.4-174.1-56.9-55.2000111.6L69 R72 A77 T78L69-I74 HydrophobicContact CD2-CD1 4.33Å; R72-I74 PolarHBondContact O-N 3.11Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-T78 WeakPolarHBondContact O-CB 3.35Å; I74-T78 PolarHBondContact O-N 3.33Å; I74-T78 PolarHBondContact O-OG1 3.06Å
75D98.6Very high98.4Very high129 Ų12982.9 Ų82.969%0.6940%0.399SS*.Hα-helixtrans-67.3-48.4180-64.4-25.4000109.7D73 A77 T78 E79D73-D75 PolarHBondContact OD1-N 3.42Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.19Å; D75-T78 PolarHBondContact O-N 3.31Å; D75-E79 PolarHBondContact O-N 2.89Å
76A98.6Very high98.4Very high28 Ų2885.2 Ų85.223%0.23141%0.409CS..Hα-helixtrans-65.4-34176.700000112.7N68 D73 A80N68-A76 HydrophobicContact CB-CB 4.16Å; N68-A76 VanDerWaalsContact ND2-C 3.27Å; N68-A76 WeakPolarHBondContact ND2-CB 3.47Å; N68-A76 PolarHBondContact ND2-O 3.48Å; N68-A76 VanDerWaalsContact ND2-O 3.08Å; D73-A76 HydrophobicContact CB-CB 4.16Å; D73-A76 VanDerWaalsContact OD1-CB 3.29Å; D73-A76 WeakPolarHBondContact OD1-CB 3.38Å; D73-A76 PolarHBondContact OD1-N 3.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.48Å; A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.43Å
77A98.6Very high98.4Very high5 Ų585.8 Ų85.84%0.04140%0.403CS..Hα-helixtrans-65.4-42.5174.200000111.9N68 L69 D73 I74 D75 A80 K81N68-A77 HydrophobicContact CB-CB 3.73Å; L69-A77 HydrophobicContact CD2-CB 3.98Å; L69-A77 HydrophobicContact CG-CB 3.99Å; D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å; D73-A77 VanDerWaalsContact O-N 3.09Å; I74-A77 PolarHBondContact O-N 3.35Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 3.05Å; A77-K81 WeakPolarHBondContact O-CB 3.1Å; A77-K81 PolarHBondContact O-N 2.56Å
78T98.6Very high98.3Very high79 Ų7983.2 Ų83.249%0.48539%0.392SS..Hα-helixtrans-65.3-46.1178.8-59.20000110.8I74 D75 A80 K81 H82I74-T78 WeakPolarHBondContact O-CB 3.35Å; I74-T78 PolarHBondContact O-N 3.33Å; I74-T78 PolarHBondContact O-OG1 3.06Å; D75-T78 PolarHBondContact O-N 3.31Å; T78-A80 PolarHBondContact O-N 2.87Å; T78-K81 PolarHBondContact O-N 2.83Å; T78-H82 WeakPolarHBondContact O-CB 3.29Å; T78-H82 PolarHBondContact O-N 3.01Å
79E98.7Very high98.3Very high104 Ų10488.1 Ų88.149%0.48641%0.409SS..Hα-helixtrans-61.1-44.6175.5-79.3-60.3132.400112.3D75 K81 H82 R83D75-E79 PolarHBondContact O-N 2.89Å; E79-K81 PolarHBondContact O-N 2.96Å; E79-H82 PolarHBondContact O-N 3.41Å; E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 3.22Å
80A98.5Very high98.2Very high7 Ų785.7 Ų85.76%0.05840%0.402CS..Hα-helixtrans-62-42.3175.600000112.3D64 V65 A76 A77 T78 L84D64-A80 HydrophobicContact CB-CB 3.99Å; V65-A80 HydrophobicContact CG2-CB 3.84Å; A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.43Å; A77-A80 PolarHBondContact O-N 3.05Å; T78-A80 PolarHBondContact O-N 2.87Å; A80-L84 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-N 3.13Å
81K98.6Very high98.1Very high84 Ų8478.5 Ų78.537%0.36537%0.371SS..Hα-helixtrans-62.9-45.7175.9177.3179.3-177.3-70.40111W62 V65 A77 T78 E79 L84 E85W62-K81 HydrophobicContact CZ3-CG 4.25Å; V65-K81 HydrophobicContact CG2-CB 4.04Å; A77-K81 WeakPolarHBondContact O-CB 3.1Å; A77-K81 PolarHBondContact O-N 2.56Å; T78-K81 PolarHBondContact O-N 2.83Å; E79-K81 PolarHBondContact O-N 2.96Å; K81-L84 WeakPolarHBondContact O-CB 3.41Å; K81-L84 PolarHBondContact O-N 3.39Å; K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.42Å; K81-E85 IonicContact NZ-OE1 2.67Å; K81-E85 PolarHBondContact NZ-OE1 3.23Å; K81-E85 IonicContact NZ-OE2 2.59Å; K81-E85 PolarHBondContact NZ-OE2 3.08Å; K81-E85 WeakPolarHBondContact O-CG 3.24Å; K81-E85 PolarHBondContact O-N 3.12Å
82H98.6Very high98Very high102 Ų10276.6 Ų76.647%0.47237%0.369SS..Hα-helixtrans-60.8-47.6179.7-178.3-96.6000111.5T78 E79 L84 E85 E86T78-H82 WeakPolarHBondContact O-CB 3.29Å; T78-H82 PolarHBondContact O-N 3.01Å; E79-H82 PolarHBondContact O-N 3.41Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 2.93Å; H82-E85 PolarHBondContact O-N 3.02Å; H82-E86 WeakPolarHBondContact O-CB 3.29Å; H82-E86 PolarHBondContact O-N 3.39Å
83R98.3Very high97.9Very high133 Ų13372.4 Ų72.450%0.50235%0.354SS..Hα-helixtrans-57.1-44.4176-72.3-169.5-57.2-90.25.1112.3E79 R87E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 3.22Å; R83-R87 WeakPolarHBondContact O-CB 3.41Å; R83-R87 PolarHBondContact O-N 2.97Å; R83-R87 VanDerWaalsContact O-N 3.08Å
84L98Very high97.9Very high20 Ų2073.6 Ų73.611%0.10536%0.357CS..Hα-helixtrans-61-51.5178.1-174.6101.1000111.8L61 W62 A80 K81 H82 R87 Q88L61-L84 HydrophobicContact CD1-CD1 3.65Å; L61-L84 HydrophobicContact CG-CD1 3.8Å; L61-L84 VanDerWaalsContact O-CD1 3.24Å; L61-L84 WeakPolarHBondContact O-CD1 3.28Å; W62-L84 HydrophobicContact CD2-CD2 4.1Å; W62-L84 HydrophobicContact CE3-CD2 4.06Å; W62-L84 HydrophobicContact CH2-CD2 3.51Å; W62-L84 HydrophobicContact CZ2-CD2 3.54Å; W62-L84 HydrophobicContact CZ3-CD2 3.77Å; A80-L84 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-N 3.13Å; K81-L84 WeakPolarHBondContact O-CB 3.41Å; K81-L84 PolarHBondContact O-N 3.39Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 2.93Å; L84-R87 PolarHBondContact O-N 2.7Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.32Å; L84-Q88 VanDerWaalsContact O-N 3.09Å
85E98.1Very high97.8Very high67 Ų6771.8 Ų71.831%0.31334%0.344SS..Hα-helixtrans-67.9-37.1-176.3-71.1178.315600112.2K81 H82 Q88 R89K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.42Å; K81-E85 IonicContact NZ-OE1 2.67Å; K81-E85 PolarHBondContact NZ-OE1 3.23Å; K81-E85 IonicContact NZ-OE2 2.59Å; K81-E85 PolarHBondContact NZ-OE2 3.08Å; K81-E85 WeakPolarHBondContact O-CG 3.24Å; K81-E85 PolarHBondContact O-N 3.12Å; H82-E85 PolarHBondContact O-N 3.02Å; E85-Q88 PolarHBondContact O-N 3.45Å; E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.22Å
86E98.3Very high97.7Very high62 Ų6273.9 Ų73.929%0.2935%0.347SS..Hα-helixtrans-67.3-38.4175.7-171.453.3-140.200111.6H82 R89 A90 R93H82-E86 WeakPolarHBondContact O-CB 3.29Å; H82-E86 PolarHBondContact O-N 3.39Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 IonicContact OE2-CZ 2.82Å; E86-R89 IonicContact OE2-NH1 3.74Å; E86-R89 PolarHBondContact OE2-NH1 2.98Å; E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.09Å; E86-R93 IonicContact OE1-NH2 3.73Å; E86-R93 PolarHBondContact OE1-NH2 3.27Å
87R97.3Very high97.6Very high91 Ų9180 Ų8034%0.34337%0.37SS..Hα-helixtrans-58.2-50171.4-176.5175.968.5157.45.7111.3E55 R83 L84 R89 A90 E91E55-R87 IonicContact OE1-CZ 2.86Å; E55-R87 IonicContact OE1-NH1 3.64Å; E55-R87 PolarHBondContact OE1-NH1 2.94Å; E55-R87 IonicContact OE1-NH2 2.71Å; R83-R87 WeakPolarHBondContact O-CB 3.41Å; R83-R87 PolarHBondContact O-N 2.97Å; R83-R87 VanDerWaalsContact O-N 3.08Å; L84-R87 PolarHBondContact O-N 2.7Å; R87-R89 VanDerWaalsContact C-N 3.29Å; R87-R89 PolarHBondContact O-N 2.78Å; R87-A90 PolarHBondContact O-N 2.92Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 2.99Å
88Q96.4Very high97.5Very high65 Ų6585.5 Ų85.530%0.30439%0.394SS..Hα-helixtrans-60.6-38.6177.8-66.9-65.7104.300112.2L84 E85 A92L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.32Å; L84-Q88 VanDerWaalsContact O-N 3.09Å; E85-Q88 PolarHBondContact O-N 3.45Å; Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.94Å
89R98.2Very high97.4Very high126 Ų12690 Ų9048%0.47541%0.409SS..Hα-helixtrans-66.4-40.3176.5-173.3-179.3-66.8102.95.2111.9E85 E86 R87 A92 R93E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.22Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 IonicContact OE2-CZ 2.82Å; E86-R89 IonicContact OE2-NH1 3.74Å; E86-R89 PolarHBondContact OE2-NH1 2.98Å; R87-R89 VanDerWaalsContact C-N 3.29Å; R87-R89 PolarHBondContact O-N 2.78Å; R89-A92 PolarHBondContact O-N 3.38Å; R89-R93 WeakPolarHBondContact O-CG 3.38Å; R89-R93 PolarHBondContact O-N 3.4Å
90A97.8Very high97.2Very high41 Ų4189.6 Ų89.634%0.33941%0.409SS..Hα-helixtrans-64.3-47.8175.100000111.3E86 R87 A92 R93 E94E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.09Å; R87-A90 PolarHBondContact O-N 2.92Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 3.5Å; A90-R93 WeakPolarHBondContact O-CB 3.37Å; A90-R93 PolarHBondContact O-N 3.35Å; A90-R93 VanDerWaalsContact O-N 3.16Å; A90-E94 PolarHBondContact O-N 2.93Å
91E95.5Very high96.9Very high29 Ų2996.9 Ų96.914%0.13644%0.442CS..Hα-helixtrans-62.3-36.8177-63.1175.9-167.500111.9Y56 R87 E94 R95Y56-E91 PolarHBondContact OH-OE1 2.98Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 2.99Å; E91-E94 PolarHBondContact O-N 2.79Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.31Å; E91-R95 PolarHBondContact O-NH1 3.28Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH1 2.78Å; E91-R95 IonicContact OE2-NH2 2.65Å; E91-R95 PolarHBondContact OE2-NH2 3.13Å
92A95.8Very high96.6Very high53 Ų53100.9 Ų100.944%0.43846%0.455SS..Hα-helixtrans-66.6-39.5175.600000112.3Q88 R89 A90 R95 K96Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.94Å; R89-A92 PolarHBondContact O-N 3.38Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 3.5Å; A92-R95 PolarHBondContact O-N 2.97Å; A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.08Å
93R97.1Very high96.2Very high128 Ų128103.8 Ų103.848%0.48347%0.469SS..Hα-helixtrans-61.8-47.1172.9-76.5-175.7-76.8160.7-9.4111.1E86 R89 A90 R95 K96 E97E86-R93 IonicContact OE1-NH2 3.73Å; E86-R93 PolarHBondContact OE1-NH2 3.27Å; R89-R93 WeakPolarHBondContact O-CG 3.38Å; R89-R93 PolarHBondContact O-N 3.4Å; A90-R93 WeakPolarHBondContact O-CB 3.37Å; A90-R93 PolarHBondContact O-N 3.35Å; A90-R93 VanDerWaalsContact O-N 3.16Å; R93-R95 PolarHBondContact O-N 3.09Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 3.48Å; R93-K96 VanDerWaalsContact O-N 3.16Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.84Å
94E97.4Very high96Very high92 Ų92100.3 Ų100.343%0.4346%0.463SS..Hα-helixtrans-60.3-43.7178.3-176-178.3-17400112A90 E91 K96 E97 K98A90-E94 PolarHBondContact O-N 2.93Å; E91-E94 PolarHBondContact O-N 2.79Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.34Å; E94-E97 PolarHBondContact O-N 3.08Å; E94-K98 HydrophobicContact CG-CD 4.12Å; E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.19Å; E94-K98 PolarHBondContact O-N 2.89Å; E94-K98 WeakPolarHBondContact OE1-CE 3.41Å; E94-K98 IonicContact OE1-NZ 2.72Å; E94-K98 PolarHBondContact OE1-NZ 2.65Å
95R97Very high95.8Very high62 Ų62109.1 Ų109.123%0.23449%0.494CS..Hα-helixtrans-59-45174.9-73174.5-164.5101.34.1111.4E91 A92 R93 K98 E99 I100E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.31Å; E91-R95 PolarHBondContact O-NH1 3.28Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH1 2.78Å; E91-R95 IonicContact OE2-NH2 2.65Å; E91-R95 PolarHBondContact OE2-NH2 3.13Å; A92-R95 PolarHBondContact O-N 2.97Å; R93-R95 PolarHBondContact O-N 3.09Å; R95-K98 CarbonylContact O-C 3.56Å; R95-K98 PolarHBondContact O-N 3.37Å; R95-E99 PolarHBondContact O-N 2.95Å; R95-E99 VanDerWaalsContact O-N 3.1Å; R95-I100 HydrophobicContact CB-CB 4.46Å; R95-I100 PolarHBondContact O-N 3.34Å
96K95.8Very high95.6Very high174 Ų174110.5 Ų110.576%0.75750%0.503SS*.Hα-helixtrans-63.1-45.2178-174.8-178.6178.4-177.70112.1A92 R93 E94 K98 E99A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.08Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 3.48Å; R93-K96 VanDerWaalsContact O-N 3.16Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.34Å; K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 2.71Å; K96-E99 PolarHBondContact O-N 3.19Å; K96-E99 VanDerWaalsContact O-N 3.11Å
97E97.1Very high95.5Very high155 Ų155111.8 Ų111.872%0.72451%0.508SS*.Hα-helixtrans-63.6-32.6178.7-74170.7-172.400112.4R93 E94 E99R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.84Å; E94-E97 PolarHBondContact O-N 3.08Å; E97-E99 VanDerWaalsContact C-N 3.33Å
98K97.2Very high95.3Very high121 Ų121111.8 Ų111.853%0.52651%0.512SS..THydrogen-bonded Turntrans-88.22.8175.7-65.2-179.5-175176.80113.9E94 R95 K96 I100E94-K98 HydrophobicContact CG-CD 4.12Å; E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.19Å; E94-K98 PolarHBondContact O-N 2.89Å; E94-K98 WeakPolarHBondContact OE1-CE 3.41Å; E94-K98 IonicContact OE1-NZ 2.72Å; E94-K98 PolarHBondContact OE1-NZ 2.65Å; R95-K98 CarbonylContact O-C 3.56Å; R95-K98 PolarHBondContact O-N 3.37Å; K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 2.71Å; K98-I100 HydrophobicContact CB-CD1 3.66Å; K98-I100 HydrophobicContact CB-CG1 3.76Å; K98-I100 HydrophobicContact CD-CD1 3.89Å; K98-I100 HydrophobicContact CG-CD1 4.45Å; K98-I100 PolarHBondContact O-N 2.91Å; K98-I100 VanDerWaalsContact O-N 3.15Å
99E95.9Very high95.2Very high174 Ų174115.1 Ų115.181%0.81353%0.528SS*.THydrogen-bonded Turntrans54.628.7-174.9-55.4-175.9148.800113.6R95 K96 E97R95-E99 PolarHBondContact O-N 2.95Å; R95-E99 VanDerWaalsContact O-N 3.1Å; K96-E99 PolarHBondContact O-N 3.19Å; K96-E99 VanDerWaalsContact O-N 3.11Å; E97-E99 VanDerWaalsContact C-N 3.33Å
100I95.5Very high94.8Very high96 Ų96114.1 Ų114.149%0.49253%0.532SS..PPolyproline II helixtrans-85.2121.7177.8-61.7171000108.7R95 K98R95-I100 HydrophobicContact CB-CB 4.46Å; R95-I100 PolarHBondContact O-N 3.34Å; K98-I100 HydrophobicContact CB-CD1 3.66Å; K98-I100 HydrophobicContact CB-CG1 3.76Å; K98-I100 HydrophobicContact CD-CD1 3.89Å; K98-I100 HydrophobicContact CG-CD1 4.45Å; K98-I100 PolarHBondContact O-N 2.91Å; K98-I100 VanDerWaalsContact O-N 3.15Å
101Q91.4Very high94.4Very high159 Ų159115.8 Ų115.874%0.74355%0.552SS**PPolyproline II helixtrans-70.3145.2172.9-66.7-61.5-26.800111.1
102W91.3Very high94.2Very high168 Ų168124.1 Ų124.164%0.63659%0.591SS**PPolyproline II helixtrans-76125.8173.1173.1-96.3000109.9
103E90.9Very high94Very high163 Ų163125.5 Ų125.576%0.76260%0.597SS**  trans-110.7129.7176-66.7-177.3176.800110.9
104T93.9Very high93.8Very high61 Ų61126 Ų12637%0.37460%0.599SS.*  trans-77.2143.5172.7400000110.6F107 W114T104-F107 VanDerWaalsContact CB-O 3.29Å; T104-F107 WeakPolarHBondContact CB-O 3.39Å; T104-F107 PolarHBondContact OG1-O 3.26Å; T104-W114 HydrophobicContact CG2-CH2 3.92Å; T104-W114 HydrophobicContact CG2-CZ3 3.77Å
105R93.6Very high93.6Very high204 Ų204124 Ų12477%0.7759%0.593SS**SBendtrans-85.7-20.8-173-63.2-180110.2-171.25.5115.3
106L94.8Very high93.4Very high96 Ų96124.9 Ų124.950%0.50360%0.597SS.*SBendtrans-137.4-8.9-163.9-71.3-178.6000113.5Y116 D117L106-Y116 HydrophobicContact CB-CD2 4.34Å; L106-Y116 HydrophobicContact CB-CE2 3.99Å; L106-Y116 HydrophobicContact CD2-CE2 4.34Å; L106-Y116 WeakPolarHBondContact O-CD2 3.34Å; L106-Y116 WeakPolarHBondContact O-CE2 3.29Å; L106-D117 VanDerWaalsContact C-CG 3.44Å; L106-D117 WeakPolarHBondContact CA-OD2 3.35Å; L106-D117 VanDerWaalsContact O-CG 3.31Å; L106-D117 PolarHBondContact O-N 2.98Å
107F95.3Very high93.3Very high90 Ų90119 Ų11940%0.39557%0.574SS.*EExtended strand (participates in β ladder)trans-139.2152.3-176.6-67.4-101000108.5T104 W114 V115 Y116 D117T104-F107 VanDerWaalsContact CB-O 3.29Å; T104-F107 WeakPolarHBondContact CB-O 3.39Å; T104-F107 PolarHBondContact OG1-O 3.26Å; F107-W114 HydrophobicContact CB-CE3 3.89Å; F107-W114 HydrophobicContact CB-CZ3 4.5Å; F107-V115 CarbonylContact C-O 3.57Å; F107-V115 WeakPolarHBondContact CA-O 3.36Å; F107-Y116 VanDerWaalsContact CD1-CA 3.43Å; F107-Y116 HydrophobicContact CD1-CD2 4.34Å; F107-Y116 HydrophobicContact CD2-CD2 4.2Å; F107-Y116 VanDerWaalsContact CE1-CB 3.5Å; F107-Y116 AromaticContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CG 4.13Å; F107-Y116 AromaticContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CE2 4.44Å; F107-Y116 HydrophobicContact CG-CD2 4.45Å; F107-Y116 AromaticContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CG 4.15Å; F107-D117 PolarHBondContact N-OD2 3.35Å
108H94Very high93Very high90 Ų90115.5 Ų115.542%0.41756%0.557SS.*EExtended strand (participates in β ladder)trans-128.8159.6168.761.9-80.4000110.6V115 D117H108-V115 PolarHBondContact N-O 3.49Å; H108-V115 PolarHBondContact O-N 2.96Å; H108-D117 IonicContact CE1-OD1 2.7Å; H108-D117 IonicContact CG-OD1 3.61Å; H108-D117 PolarHBondContact N-OD1 3.44Å; H108-D117 IonicContact ND1-OD1 3.5Å; H108-D117 PolarHBondContact ND1-OD1 3.08Å
109E93.2Very high92.6Very high136 Ų136112 Ų11264%0.63655%0.547SS*.EExtended strand (participates in β ladder)trans-77.1132.5173.3-64.3-176.6162.300110W114E109-W114 HydrophobicContact CG-CD2 4.05Å; E109-W114 HydrophobicContact CG-CE3 3.98Å; E109-W114 HydrophobicContact CG-CH2 3.41Å; E109-W114 VanDerWaalsContact CG-CH2 3.41Å; E109-W114 HydrophobicContact CG-CZ2 3.45Å; E109-W114 VanDerWaalsContact CG-CZ2 3.45Å; E109-W114 HydrophobicContact CG-CZ3 3.68Å; E109-W114 WeakPolarHBondContact OE1-CZ2 3.39Å
110D90.7Very high92.1Very high105 Ų105108.7 Ų108.756%0.56153%0.534SS*.EExtended strand (participates in β ladder)trans-12995.8170.2-17718000108.1E112 C113 V115D110-E112 PolarHBondContact O-N 3.36Å; D110-C113 PolarHBondContact N-O 3.24Å; D110-C113 PolarHBondContact O-N 2.59Å; D110-V115 HydrophobicContact CB-CG2 3.67Å
111G90.2Very high91.6Very high75 Ų75111.4 Ų111.477%0.77355%0.549SS*.THydrogen-bonded Turntrans61.8-117.1-170.500000111.8
112E91Very high91.2Very high204 Ų204109 Ų10995%0.95354%0.536SS*.THydrogen-bonded Turntrans-95.14.8176.9-60.9-175.216800113D110D110-E112 PolarHBondContact O-N 3.36Å
113C91.3Very high90.5Very high82 Ų82107.2 Ų107.255%0.55453%0.529SS*.EExtended strand (participates in β ladder)trans-112.5155-175.7-70.60000112.1D110D110-C113 PolarHBondContact N-O 3.24Å; D110-C113 PolarHBondContact O-N 2.59Å
114W92.5Very high90Very high138 Ų138104.8 Ų104.852%0.52352%0.521SS..EExtended strand (participates in β ladder)trans-102.9125169.1-74.788.9000109.9T104 F107 E109T104-W114 HydrophobicContact CG2-CH2 3.92Å; T104-W114 HydrophobicContact CG2-CZ3 3.77Å; F107-W114 HydrophobicContact CB-CE3 3.89Å; F107-W114 HydrophobicContact CB-CZ3 4.5Å; E109-W114 HydrophobicContact CG-CD2 4.05Å; E109-W114 HydrophobicContact CG-CE3 3.98Å; E109-W114 HydrophobicContact CG-CH2 3.41Å; E109-W114 VanDerWaalsContact CG-CH2 3.41Å; E109-W114 HydrophobicContact CG-CZ2 3.45Å; E109-W114 VanDerWaalsContact CG-CZ2 3.45Å; E109-W114 HydrophobicContact CG-CZ3 3.68Å; E109-W114 WeakPolarHBondContact OE1-CZ2 3.39Å
115V92.8Very high88.6Confident50 Ų50104.2 Ų104.230%0.30353%0.527SS..EExtended strand (participates in β ladder)trans-109.7130.5-178.9-179.50000109.4F107 H108 D110F107-V115 CarbonylContact C-O 3.57Å; F107-V115 WeakPolarHBondContact CA-O 3.36Å; H108-V115 PolarHBondContact N-O 3.49Å; H108-V115 PolarHBondContact O-N 2.96Å; D110-V115 HydrophobicContact CB-CG2 3.67Å
116Y93.8Very high87Confident82 Ų8298.4 Ų98.432%0.32252%0.523SS..EExtended strand (participates in β ladder)trans-70.2133.1172.7-177.9-126.7000109.5L106 F107 E118 P119L106-Y116 HydrophobicContact CB-CD2 4.34Å; L106-Y116 HydrophobicContact CB-CE2 3.99Å; L106-Y116 HydrophobicContact CD2-CE2 4.34Å; L106-Y116 WeakPolarHBondContact O-CD2 3.34Å; L106-Y116 WeakPolarHBondContact O-CE2 3.29Å; F107-Y116 VanDerWaalsContact CD1-CA 3.43Å; F107-Y116 HydrophobicContact CD1-CD2 4.34Å; F107-Y116 HydrophobicContact CD2-CD2 4.2Å; F107-Y116 VanDerWaalsContact CE1-CB 3.5Å; F107-Y116 AromaticContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CG 4.13Å; F107-Y116 AromaticContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CE2 4.44Å; F107-Y116 HydrophobicContact CG-CD2 4.45Å; F107-Y116 AromaticContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CG 4.15Å; Y116-E118 VanDerWaalsContact C-N 3.26Å; Y116-E118 WeakPolarHBondContact CD1-O 3.44Å; Y116-E118 HydrophobicContact CE1-CB 3.86Å; Y116-E118 WeakPolarHBondContact CE1-O 3.42Å; Y116-E118 PolarHBondContact O-N 3.46Å; Y116-P119 VanDerWaalsContact O-CD 3.31Å; Y116-P119 WeakPolarHBondContact O-CD 3.46Å
117D92.3Very high85.3Confident51 Ų5197.9 Ų97.927%0.27353%0.533SS..SBendtrans-67-27.7-171.9-58.7-28000113.4L106 F107 H108 P119 K122L106-D117 VanDerWaalsContact C-CG 3.44Å; L106-D117 WeakPolarHBondContact CA-OD2 3.35Å; L106-D117 VanDerWaalsContact O-CG 3.31Å; L106-D117 PolarHBondContact O-N 2.98Å; F107-D117 PolarHBondContact N-OD2 3.35Å; H108-D117 IonicContact CE1-OD1 2.7Å; H108-D117 IonicContact CG-OD1 3.61Å; H108-D117 PolarHBondContact N-OD1 3.44Å; H108-D117 IonicContact ND1-OD1 3.5Å; H108-D117 PolarHBondContact ND1-OD1 3.08Å; D117-P119 VanDerWaalsContact C-CD 3.43Å; D117-P119 WeakPolarHBondContact O-CD 3.38Å; D117-K122 PolarHBondContact O-NZ 2.87Å
118E91.1Very high83.1Confident80 Ų80101.6 Ų101.637%0.37455%0.549SS..SBendtrans-123.357.6-175.6-66.8-57.8145.900113.1Y116 K122 R123Y116-E118 VanDerWaalsContact C-N 3.26Å; Y116-E118 WeakPolarHBondContact CD1-O 3.44Å; Y116-E118 HydrophobicContact CE1-CB 3.86Å; Y116-E118 WeakPolarHBondContact CE1-O 3.42Å; Y116-E118 PolarHBondContact O-N 3.46Å; E118-K122 IonicContact OE1-NZ 3.01Å; E118-K122 PolarHBondContact OE1-NZ 3.15Å; E118-K122 IonicContact OE2-NZ 3.57Å; E118-R123 PolarHBondContact O-NE 3.35Å; E118-R123 PolarHBondContact O-NH2 2.67Å
119P89.9Confident80.5Confident48 Ų48109.7 Ų109.731%0.31259%0.586SS.*  trans-61.8154.1-176.529.8-32.3000110.6Y116 D117 L121 K122 R123Y116-P119 VanDerWaalsContact O-CD 3.31Å; Y116-P119 WeakPolarHBondContact O-CD 3.46Å; D117-P119 VanDerWaalsContact C-CD 3.43Å; D117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-L121 PolarHBondContact O-N 3.11Å; P119-L121 VanDerWaalsContact O-N 3.15Å; P119-K122 HydrophobicContact CG-CB 3.89Å; P119-K122 WeakPolarHBondContact O-CB 3.36Å; P119-K122 PolarHBondContact O-N 3.1Å; P119-R123 PolarHBondContact O-N 3Å; P119-R123 VanDerWaalsContact O-N 3.16Å
120L84.3Confident79.9Confident105 Ų105108.4 Ų108.455%0.5558%0.584SS.*Hα-helixtrans-55.7-37.9-176.5-177.963000112K122 R123 L124L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.35Å; L120-R123 PolarHBondContact O-N 3.45Å; L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CD2-CD1 4.47Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.82Å
121L85.9Confident79.3Confident153 Ų153108.6 Ų108.680%0.80159%0.585SS**Hα-helixtrans-56.1-42.5176-72.3161.5000112.5P119 L124 G125P119-L121 PolarHBondContact O-N 3.11Å; P119-L121 VanDerWaalsContact O-N 3.15Å; L121-L124 PolarHBondContact O-N 2.85Å; L121-G125 PolarHBondContact O-N 3.48Å
122K83.3Confident78.7Confident109 Ų109110.4 Ų110.447%0.47457%0.574SS.*Hα-helixtrans-67.6-43.3177.2-171.7-175.3-179.1-165.60111.4D117 E118 P119 L120 L124 G125 A126D117-K122 PolarHBondContact O-NZ 2.87Å; E118-K122 IonicContact OE1-NZ 3.01Å; E118-K122 PolarHBondContact OE1-NZ 3.15Å; E118-K122 IonicContact OE2-NZ 3.57Å; P119-K122 HydrophobicContact CG-CB 3.89Å; P119-K122 WeakPolarHBondContact O-CB 3.36Å; P119-K122 PolarHBondContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.35Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.02Å; K122-G125 PolarHBondContact O-N 2.92Å; K122-A126 PolarHBondContact O-N 2.88Å
123R76.6Confident78Confident130 Ų130104.9 Ų104.949%0.49155%0.552SS.*Hα-helixtrans-62.6-36.9177-73.7-176.8-87.9158.4-7.4113E118 P119 L120E118-R123 PolarHBondContact O-NE 3.35Å; E118-R123 PolarHBondContact O-NH2 2.67Å; P119-R123 PolarHBondContact O-N 3Å; P119-R123 VanDerWaalsContact O-N 3.16Å; L120-R123 PolarHBondContact O-N 3.45Å
124L78.8Confident77.2Confident111 Ų111106.4 Ų106.458%0.58155%0.552SS**Hα-helixtrans-75.6-31.8176.3-67.7175.6000112.6L120 L121 K122L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CD2-CD1 4.47Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.82Å; L121-L124 PolarHBondContact O-N 2.85Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.02Å
125G66.4Low76.2Confident49 Ų49104.3 Ų104.351%0.50555%0.554SS.*Hα-helixtrans-67.6-38.6174.100000113.2L121 K122 A127 K128L121-G125 PolarHBondContact O-N 3.48Å; K122-G125 PolarHBondContact O-N 2.92Å; G125-A127 VanDerWaalsContact C-N 3.25Å; G125-A127 PolarHBondContact O-N 3.16Å; G125-K128 PolarHBondContact O-N 3.16Å
126A59.2Low75Confident83 Ų83108.1 Ų108.169%0.68657%0.572SS**THydrogen-bonded Turntrans-69.5-17.6178.700000114.3K122 K128K122-A126 PolarHBondContact O-N 2.88Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.4Å
127A57.8Low73.5Confident85 Ų85110.2 Ų110.270%0.70259%0.591SS**THydrogen-bonded Turntrans-81.8-2.1177.500000113.8G125G125-A127 VanDerWaalsContact C-N 3.25Å; G125-A127 PolarHBondContact O-N 3.16Å
128K50.4Low72Confident168 Ų168115.1 Ų115.173%0.7362%0.617SS**  trans-10766.4174.2-72.2-172.6176.4-177.50110.6G125 A126G125-K128 PolarHBondContact O-N 3.16Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.4Å
129H39.9Very low70.2Confident260 Ų260118.3 Ų118.3100%1.20464%0.64SS**  trans-163.40155.4-86.5-53.2000110.2

Retrieved 129 of 129 residues in 55.2 ms (Link to these results)