A0A2R8Y4M1_HUMAN Loading...

Chloride intracellular channel 5

AlphaFold DB , UniProt , Accession A0A2R8Y4M1, Species HUMAN (Homo sapiens, Human), Gene CLIC5, Length 200 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
1M45.9Very low43.5Very low238 Ų238132.5 Ų132.5100%1.17282%0.817SS**  0106.40-81.9170169.100107.5
2T36.3Very low45.6Very low141 Ų141138.3 Ų138.387%0.86581%0.812SS**  trans-173.7106.4145.235.60000105.9
3D36.6Very low48Very low168 Ų168135.5 Ų135.590%0.89879%0.792SS**  trans-51.7127178.3-73.7-60.5000112.3A5D3-A5 PolarHBondContact O-N 2.95Å
4S42.1Very low50.8Low118 Ų118127.6 Ų127.683%0.82575%0.747SS**  trans-78.9103.5157.9-63.20000107.5T6S4-T6 PolarHBondContact O-N 3.01Å; S4-T6 VanDerWaalsContact O-N 3.15Å
5A43Very low53.6Low96 Ų96128 Ų12879%0.79374%0.739SS**  trans-56115.7170.300000109.5D3 A7D3-A5 PolarHBondContact O-N 2.95Å; A5-A7 PolarHBondContact O-N 2.67Å; A5-A7 VanDerWaalsContact O-N 3.15Å
6T40.1Very low56.1Low114 Ų114120.3 Ų120.370%0.69969%0.694SS**  trans-58.8110.2166.538.80000109.1S4 N8S4-T6 PolarHBondContact O-N 3.01Å; S4-T6 VanDerWaalsContact O-N 3.15Å; T6-N8 PolarHBondContact O-N 3.33Å
7A40.1Very low58.4Low101 Ų101116.2 Ų116.284%0.83567%0.667SS**  trans-68.885.8163.100000108.4A5 G9A5-A7 PolarHBondContact O-N 2.67Å; A5-A7 VanDerWaalsContact O-N 3.15Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.21Å
8N44.8Very low60.4Low149 Ų149109.8 Ų109.880%0.79763%0.63SS**  trans-80.984.7167-77.9-12.8000108.2T6T6-N8 PolarHBondContact O-N 3.33Å
9G44.1Very low62.1Low65 Ų65104.4 Ų104.467%0.6760%0.599SS**  trans-92.2108.2158.200000107.3A7 D11A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.21Å; G9-D11 PolarHBondContact O-N 3.11Å
10D49.5Very low63.6Low125 Ų12599.3 Ų99.367%0.66857%0.57SS**  trans-72.777.3179.6-15120.4000109R12D10-R12 PolarHBondContact O-N 3.46Å; D10-R12 IonicContact OD1-CZ 2.65Å; D10-R12 IonicContact OD1-NE 3.44Å; D10-R12 PolarHBondContact OD1-NE 2.87Å; D10-R12 IonicContact OD1-NH2 3.81Å; D10-R12 PolarHBondContact OD1-NH2 3.31Å
11D56Low64.8Low143 Ų14399.1 Ų99.177%0.76556%0.562SS**  trans-87.627.7175.5-163.125.8000111.3G9G9-D11 PolarHBondContact O-N 3.11Å
12R68.1Low66.8Low201 Ų20188.2 Ų88.276%0.75851%0.51SS*.PPolyproline II helixtrans-86.9124.6174.6-77.2-176.7-81.1-171.1-6.2108.4D10D10-R12 PolarHBondContact O-N 3.46Å; D10-R12 IonicContact OD1-CZ 2.65Å; D10-R12 IonicContact OD1-NE 3.44Å; D10-R12 PolarHBondContact OD1-NE 2.87Å; D10-R12 IonicContact OD1-NH2 3.81Å; D10-R12 PolarHBondContact OD1-NH2 3.31Å
13D77.1Confident69.2Low103 Ų10382.3 Ų82.355%0.55148%0.478SS*.PPolyproline II helixtrans-54.8134.2169.6-71.7-37.9000109.1E15 K100D13-E15 PolarHBondContact O-N 3.3Å; D13-K100 WeakPolarHBondContact OD1-CE 3.21Å; D13-K100 IonicContact OD1-NZ 2.69Å; D13-K100 PolarHBondContact OD1-NZ 3.3Å
14P87.1Confident71.4Confident25 Ų2583 Ų8316%0.16248%0.479CS..PPolyproline II helixtrans-63.1137.8-17826.5-33.9000110I16 F77 N78 L96P14-I16 HydrophobicContact CB-CD1 4.38Å; P14-I16 HydrophobicContact CB-CG1 4.13Å; P14-I16 HydrophobicContact CG-CD1 4.02Å; P14-I16 HydrophobicContact CG-CG1 4.25Å; P14-I16 PolarHBondContact O-N 2.82Å; P14-F77 HydrophobicContact CB-CD2 4.41Å; P14-F77 HydrophobicContact CB-CE1 4.05Å; P14-F77 HydrophobicContact CB-CE2 3.58Å; P14-F77 HydrophobicContact CB-CZ 3.36Å; P14-F77 HydrophobicContact CG-CE2 4.06Å; P14-F77 HydrophobicContact CG-CZ 4.05Å; P14-N78 WeakPolarHBondContact CA-OD1 3.41Å; P14-L96 HydrophobicContact CG-CD2 4.36Å
15E92.7Very high73.5Confident133 Ų13382 Ų8262%0.62146%0.464SS*.  trans-79.6109.4171.9-174173.4-161.700108.5D13 F77 N78D13-E15 PolarHBondContact O-N 3.3Å; E15-F77 WeakPolarHBondContact O-CA 3.46Å; E15-N78 PolarHBondContact N-OD1 2.73Å; E15-N78 PolarHBondContact O-N 3.37Å
16I94.9Very high75.2Confident4 Ų478.4 Ų78.42%0.02144%0.437CS..EExtended strand (participates in β ladder)trans-116.9124.2-177.4-55179.5000109.1P14 L42 V47 F49 N50 L75 T76 F77P14-I16 HydrophobicContact CB-CD1 4.38Å; P14-I16 HydrophobicContact CB-CG1 4.13Å; P14-I16 HydrophobicContact CG-CD1 4.02Å; P14-I16 HydrophobicContact CG-CG1 4.25Å; P14-I16 PolarHBondContact O-N 2.82Å; I16-L42 HydrophobicContact CD1-CD2 4.28Å; I16-L42 HydrophobicContact CG2-CD1 4.22Å; I16-L42 HydrophobicContact CG2-CD2 3.92Å; I16-V47 HydrophobicContact CD1-CB 4.23Å; I16-V47 HydrophobicContact CD1-CG1 4.4Å; I16-V47 HydrophobicContact CD1-CG2 4.07Å; I16-F49 HydrophobicContact CB-CB 3.85Å; I16-F49 HydrophobicContact CG2-CB 3.89Å; I16-F49 CarbonylContact O-C 3.52Å; I16-F49 VanDerWaalsContact O-CA 3.27Å; I16-F49 WeakPolarHBondContact O-CA 3.49Å; I16-F49 WeakPolarHBondContact O-CB 3.4Å; I16-N50 PolarHBondContact O-N 3.46Å; I16-L75 HydrophobicContact CG2-CD1 3.6Å; I16-L75 HydrophobicContact CG2-CD2 4.3Å; I16-L75 HydrophobicContact CG2-CG 4.15Å; I16-T76 WeakPolarHBondContact CA-O 3.36Å; I16-F77 HydrophobicContact CD1-CD2 4.05Å; I16-F77 HydrophobicContact CD1-CE2 3.88Å; I16-F77 HydrophobicContact CG1-CD2 3.78Å; I16-F77 HydrophobicContact CG1-CE2 3.96Å
17E94.6Very high77.2Confident52 Ų5280.5 Ų80.524%0.24344%0.439CS..EExtended strand (participates in β ladder)trans-126.7121.6172.2-168.9179.1-17300110.4F19 N50 T52 L75 T76E17-F19 HydrophobicContact CB-CE2 3.99Å; E17-F19 HydrophobicContact CB-CZ 4.41Å; E17-F19 HydrophobicContact CG-CD2 4.37Å; E17-F19 HydrophobicContact CG-CE1 4.47Å; E17-F19 HydrophobicContact CG-CE2 3.72Å; E17-F19 HydrophobicContact CG-CZ 3.79Å; E17-F19 WeakPolarHBondContact OE1-CZ 3.46Å; E17-F19 VanDerWaalsContact OE2-CZ 3.22Å; E17-F19 WeakPolarHBondContact OE2-CZ 3.33Å; E17-N50 WeakPolarHBondContact CA-O 3.44Å; E17-N50 HydrophobicContact CB-CB 4.46Å; E17-N50 HydrophobicContact CG-CB 4.06Å; E17-T52 WeakPolarHBondContact OE1-CB 3.49Å; E17-T52 PolarHBondContact OE1-OG1 3.17Å; E17-L75 CarbonylContact O-C 3.55Å; E17-L75 WeakPolarHBondContact O-CA 3.24Å; E17-T76 WeakPolarHBondContact CB-OG1 3.49Å; E17-T76 PolarHBondContact N-O 3.34Å; E17-T76 VanDerWaalsContact N-O 3.11Å; E17-T76 PolarHBondContact O-N 3.36Å
18L94.7Very high79.4Confident0 Ų078.1 Ų78.10%042%0.416CS..EExtended strand (participates in β ladder)trans-97.6121.1177178.267.8000109.9V20 L38 F39 L42 F49 N50 V51 T52 L75L18-V20 HydrophobicContact CD2-CG1 3.78Å; L18-V20 HydrophobicContact CG-CG1 3.75Å; L18-L38 HydrophobicContact CD1-CB 3.82Å; L18-L38 HydrophobicContact CD1-CD1 3.89Å; L18-L38 HydrophobicContact CD2-CB 4.23Å; L18-F39 HydrophobicContact CD2-CB 3.94Å; L18-F39 HydrophobicContact CD2-CD2 4.4Å; L18-L42 HydrophobicContact CB-CD1 4Å; L18-L42 HydrophobicContact CD2-CD1 4.16Å; L18-L42 HydrophobicContact CG-CD1 4.49Å; L18-F49 HydrophobicContact CB-CD2 4.39Å; L18-N50 PolarHBondContact N-O 3.46Å; L18-V51 HydrophobicContact CB-CG2 4.49Å; L18-V51 WeakPolarHBondContact O-CA 3.39Å; L18-T52 PolarHBondContact O-N 3.3Å; L18-L75 HydrophobicContact CB-CD1 4.11Å; L18-L75 HydrophobicContact CD1-CD1 4.05Å
19F92.6Very high81.4Confident8 Ų875.8 Ų75.84%0.03540%0.403CS..EExtended strand (participates in β ladder)trans-96.7116.1176-64.9-93.6000109.6E17 T52 V54 L63 L66 P73 F74 T76E17-F19 HydrophobicContact CB-CE2 3.99Å; E17-F19 HydrophobicContact CB-CZ 4.41Å; E17-F19 HydrophobicContact CG-CD2 4.37Å; E17-F19 HydrophobicContact CG-CE1 4.47Å; E17-F19 HydrophobicContact CG-CE2 3.72Å; E17-F19 HydrophobicContact CG-CZ 3.79Å; E17-F19 WeakPolarHBondContact OE1-CZ 3.46Å; E17-F19 VanDerWaalsContact OE2-CZ 3.22Å; E17-F19 WeakPolarHBondContact OE2-CZ 3.33Å; F19-T52 WeakPolarHBondContact CA-O 3.28Å; F19-T52 HydrophobicContact CD1-CG2 3.82Å; F19-T52 HydrophobicContact CE1-CG2 3.79Å; F19-V54 HydrophobicContact CB-CG2 4.12Å; F19-V54 HydrophobicContact CD1-CG2 4.02Å; F19-L63 HydrophobicContact CD1-CD1 3.61Å; F19-L63 HydrophobicContact CE1-CD1 3.7Å; F19-L63 HydrophobicContact CG-CD1 4.46Å; F19-L66 HydrophobicContact CE1-CD2 4.23Å; F19-L66 HydrophobicContact CE2-CD2 3.92Å; F19-L66 HydrophobicContact CZ-CD2 3.57Å; F19-P73 VanDerWaalsContact O-CA 3.24Å; F19-P73 WeakPolarHBondContact O-CA 3.36Å; F19-F74 HydrophobicContact CB-CD1 4.04Å; F19-F74 HydrophobicContact CB-CD2 3.9Å; F19-F74 HydrophobicContact CB-CE1 3.76Å; F19-F74 HydrophobicContact CB-CE2 3.62Å; F19-F74 HydrophobicContact CB-CG 4.11Å; F19-F74 HydrophobicContact CB-CZ 3.56Å; F19-F74 HydrophobicContact CD1-CE2 4.07Å; F19-F74 HydrophobicContact CD1-CZ 4Å; F19-F74 AromaticContact CD2-CD2 3.65Å; F19-F74 HydrophobicContact CD2-CD2 3.65Å; F19-F74 AromaticContact CD2-CE2 3.28Å; F19-F74 HydrophobicContact CD2-CE2 3.28Å; F19-F74 HydrophobicContact CD2-CZ 4.01Å; F19-F74 HydrophobicContact CE2-CD2 4.47Å; F19-F74 AromaticContact CE2-CE2 3.92Å; F19-F74 HydrophobicContact CE2-CE2 3.92Å; F19-F74 AromaticContact CG-CD2 3.96Å; F19-F74 HydrophobicContact CG-CD2 3.96Å; F19-F74 HydrophobicContact CG-CE1 4.29Å; F19-F74 AromaticContact CG-CE2 3.36Å; F19-F74 HydrophobicContact CG-CE2 3.36Å; F19-F74 AromaticContact CG-CZ 3.57Å; F19-F74 HydrophobicContact CG-CZ 3.57Å; F19-F74 PolarHBondContact N-O 2.57Å; F19-F74 PolarHBondContact O-N 3.17Å; F19-T76 HydrophobicContact CE2-CG2 3.73Å
20V92.1Very high83.3Confident2 Ų273.2 Ų73.21%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-114.7158.1-178-570000111L18 A22 I29 V51 T52 T53 V54L18-V20 HydrophobicContact CD2-CG1 3.78Å; L18-V20 HydrophobicContact CG-CG1 3.75Å; V20-A22 PolarHBondContact O-N 3.36Å; V20-I29 HydrophobicContact CG2-CG1 4.4Å; V20-I29 HydrophobicContact CG2-CG2 4.33Å; V20-V51 HydrophobicContact CG1-CG1 4.23Å; V20-V51 HydrophobicContact CG2-CG1 3.88Å; V20-T52 PolarHBondContact N-O 3.32Å; V20-T53 HydrophobicContact CG2-CG2 3.8Å; V20-T53 CarbonylContact O-C 3.59Å; V20-V54 PolarHBondContact O-N 2.9Å
21K87.6Confident84.9Confident95 Ų9573.1 Ų73.141%0.41338%0.375SS..EExtended strand (participates in β ladder)trans-67.3131175.1-176.6174.5176.8145.50110G30 C32 L56 P72K21-G30 WeakPolarHBondContact O-CA 3.35Å; K21-G30 PolarHBondContact O-N 2.96Å; K21-C32 HydrophobicContact CB-CB 4.5Å; K21-L56 HydrophobicContact CD-CD1 4.25Å; K21-L56 HydrophobicContact CG-CD1 4.41Å; K21-P72 HydrophobicContact CB-CB 4.38Å
22A88.8Confident86.4Confident9 Ų967.1 Ų67.17%0.07435%0.345CS..BIsolated β-bridgetrans-69.6154.517300000112.5V20 S28 V54 D55V20-A22 PolarHBondContact O-N 3.36Å; A22-S28 CarbonylContact C-O 3.23Å; A22-S28 WeakPolarHBondContact CA-O 3.35Å; A22-V54 WeakPolarHBondContact CB-O 3.39Å; A22-V54 PolarHBondContact N-O 3.26Å; A22-D55 HydrophobicContact CB-CB 4.43Å
23G86.3Confident87.4Confident18 Ų1858.3 Ų58.319%0.18631%0.313CS..  trans-68.9-175.2172.800000112.7D25 G26 S28G23-D25 PolarHBondContact O-N 3.29Å; G23-G26 PolarHBondContact O-N 2.79Å; G23-G26 VanDerWaalsContact O-N 3.11Å; G23-S28 PolarHBondContact N-O 2.81Å
24I83.8Confident88.1Confident183 Ų18357.4 Ų57.494%0.93831%0.305SS*.THydrogen-bonded Turntrans-66.2-25.4-179.957.4166.7000113G26I24-G26 VanDerWaalsContact C-N 3.29Å
25D84.9Confident88.3Confident95 Ų9556.3 Ų56.351%0.50830%0.297SS..THydrogen-bonded Turntrans-78.5-13.317656.50.6000112.7G23 E27 S28G23-D25 PolarHBondContact O-N 3.29Å; D25-E27 PolarHBondContact O-N 3.4Å; D25-E27 PolarHBondContact OD1-N 3.23Å; D25-S28 WeakPolarHBondContact OD1-CB 3.38Å; D25-S28 PolarHBondContact OD1-N 3.15Å; D25-S28 PolarHBondContact OD1-OG 2.92Å; D25-S28 WeakPolarHBondContact OD2-CB 3.47Å; D25-S28 PolarHBondContact OD2-OG 2.91Å
26G80.2Confident88.3Confident21 Ų2153.7 Ų53.722%0.21629%0.285CS..SBendtrans81.4-2.2-17900000114.4G23 I24G23-G26 PolarHBondContact O-N 2.79Å; G23-G26 VanDerWaalsContact O-N 3.11Å; I24-G26 VanDerWaalsContact C-N 3.29Å
27E80.8Confident88.2Confident158 Ų15854.1 Ų54.174%0.73829%0.286SS*.SBendtrans-119.2-43.4-175.8-66.4-176.5171.800112D25 T53D25-E27 PolarHBondContact O-N 3.4Å; D25-E27 PolarHBondContact OD1-N 3.23Å; E27-T53 WeakPolarHBondContact O-CB 3.43Å; E27-T53 WeakPolarHBondContact O-CG2 3.42Å; E27-T53 PolarHBondContact O-OG1 3.3Å
28S86.7Confident88.2Confident51 Ų5151.6 Ų51.636%0.35728%0.275SS..SBendtrans-72.9167-177.166.40000112.8A22 G23 D25 G30A22-S28 CarbonylContact C-O 3.23Å; A22-S28 WeakPolarHBondContact CA-O 3.35Å; G23-S28 PolarHBondContact N-O 2.81Å; D25-S28 WeakPolarHBondContact OD1-CB 3.38Å; D25-S28 PolarHBondContact OD1-N 3.15Å; D25-S28 PolarHBondContact OD1-OG 2.92Å; D25-S28 WeakPolarHBondContact OD2-CB 3.47Å; D25-S28 PolarHBondContact OD2-OG 2.91Å; S28-G30 PolarHBondContact O-N 3.42Å
29I86.2Confident88.2Confident101 Ų10154.3 Ų54.352%0.51829%0.286SS..BIsolated β-bridgetrans-71.3122.9173.4-60.3175.9000109V20 F39 T53V20-I29 HydrophobicContact CG2-CG1 4.4Å; V20-I29 HydrophobicContact CG2-CG2 4.33Å; I29-F39 HydrophobicContact CD1-CE2 4.49Å; I29-T53 HydrophobicContact CG1-CG2 4.15Å
30G84.8Confident88.3Confident10 Ų1055.7 Ų55.710%0.10329%0.293CS..PPolyproline II helixtrans-75.6160.3178.500000113.4K21 S28 C32K21-G30 WeakPolarHBondContact O-CA 3.35Å; K21-G30 PolarHBondContact O-N 2.96Å; S28-G30 PolarHBondContact O-N 3.42Å; G30-C32 PolarHBondContact O-N 3.36Å
31N83.8Confident88.4Confident123 Ų12355.6 Ų55.666%0.65829%0.293SS*.SBendtrans-72.187176-172.7-2.8000111
32C87.6Confident88.8Confident18 Ų1851.1 Ų51.112%0.12227%0.273CS..  trans-132.4108.7176.4-176.90000109.9K21 G30 F34 S35 Q36K21-C32 HydrophobicContact CB-CB 4.5Å; G30-C32 PolarHBondContact O-N 3.36Å; C32-F34 PolarHBondContact O-N 2.88Å; C32-F34 VanDerWaalsContact O-N 3.16Å; C32-S35 WeakPolarHBondContact CB-OG 3.33Å; C32-S35 PolarHBondContact O-N 2.98Å; C32-S35 PolarHBondContact SG-OG 3.24Å; C32-S35 VanDerWaalsContact SG-OG 3.34Å; C32-Q36 PolarHBondContact O-N 3.25Å
33P88.8Confident89Confident15 Ų1559.1 Ų59.110%0.09730%0.302CS..Hα-helixtrans-62.7-27.2-178.224.2-33.7000112.5R37 F119 P190 K191 V194P33-R37 WeakPolarHBondContact O-CB 3.42Å; P33-R37 PolarHBondContact O-N 3.21Å; P33-F119 HydrophobicContact CG-CZ 4.23Å; P33-P190 HydrophobicContact CB-CB 3.84Å; P33-P190 WeakPolarHBondContact O-CB 3.26Å; P33-K191 HydrophobicContact CB-CG 4.11Å; P33-V194 HydrophobicContact CB-CG2 4.47Å
34F90.8Very high89.4Confident85 Ų8560.5 Ų60.537%0.37331%0.305SS..Hα-helixtrans-72.3-38.7175.8-56.1-68.8000112.9C32 R37 L38 P73 V85C32-F34 PolarHBondContact O-N 2.88Å; C32-F34 VanDerWaalsContact O-N 3.16Å; F34-R37 PolarHBondContact O-N 3.15Å; F34-L38 PolarHBondContact O-N 2.83Å; F34-P73 HydrophobicContact CB-CG 3.77Å; F34-V85 HydrophobicContact CB-CG2 3.82Å; F34-V85 HydrophobicContact CD1-CG2 4.33Å; F34-V85 HydrophobicContact CG-CG2 4.34Å
35S91.9Very high89.7Confident1 Ų152 Ų521%0.00726%0.261CS..Hα-helixtrans-66.1-44.1175.8-61.30000110.1C32 R37 L38 F39C32-S35 WeakPolarHBondContact CB-OG 3.33Å; C32-S35 PolarHBondContact O-N 2.98Å; C32-S35 PolarHBondContact SG-OG 3.24Å; C32-S35 VanDerWaalsContact SG-OG 3.34Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.45Å; S35-L38 PolarHBondContact O-N 3.4Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å
36Q91.8Very high90Very high78 Ų7850.3 Ų50.336%0.36427%0.266SS..Hα-helixtrans-62.4-39.3176.9-170.5179.71.500112.1C32 F39 M40 P190C32-Q36 PolarHBondContact O-N 3.25Å; Q36-F39 PolarHBondContact O-N 3.45Å; Q36-M40 HydrophobicContact CG-CG 4.47Å; Q36-M40 HydrophobicContact CG-SD 4.28Å; Q36-M40 WeakPolarHBondContact O-CB 3.49Å; Q36-M40 VanDerWaalsContact O-CG 3.27Å; Q36-M40 WeakPolarHBondContact O-CG 3.35Å; Q36-M40 PolarHBondContact O-N 2.79Å; Q36-P190 HydrophobicContact CB-CB 3.99Å; Q36-P190 HydrophobicContact CB-CG 4.04Å; Q36-P190 HydrophobicContact CG-CB 4.1Å; Q36-P190 HydrophobicContact CG-CG 3.87Å
37R94.4Very high90.6Very high13 Ų1349.9 Ų49.95%0.04926%0.26CS..Hα-helixtrans-55-53.9173.9175.7-178.8-177-172.75.3111.7P33 F34 S35 F39 M40 I41 N86 E89 C186 N187P33-R37 WeakPolarHBondContact O-CB 3.42Å; P33-R37 PolarHBondContact O-N 3.21Å; F34-R37 PolarHBondContact O-N 3.15Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.45Å; R37-F39 VanDerWaalsContact C-N 3.35Å; R37-F39 PolarHBondContact O-N 2.95Å; R37-M40 PolarHBondContact O-N 2.98Å; R37-I41 HydrophobicContact CG-CD1 3.95Å; R37-I41 VanDerWaalsContact O-CG1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.46Å; R37-I41 PolarHBondContact O-N 3.29Å; R37-I41 VanDerWaalsContact O-N 3.09Å; R37-N86 PolarHBondContact NH1-OD1 3.48Å; R37-E89 IonicContact CZ-OE1 3.86Å; R37-E89 IonicContact CZ-OE2 2.75Å; R37-E89 IonicContact NE-OE2 2.61Å; R37-E89 PolarHBondContact NE-OE2 3.42Å; R37-E89 IonicContact NH2-OE1 2.81Å; R37-E89 PolarHBondContact NH2-OE1 3.07Å; R37-E89 IonicContact NH2-OE2 3.33Å; R37-E89 PolarHBondContact NH2-OE2 3.28Å; R37-C186 WeakPolarHBondContact CA-O 3.35Å; R37-C186 WeakPolarHBondContact CB-O 3.27Å; R37-C186 HydrophobicContact CG-CB 4.31Å; R37-C186 WeakPolarHBondContact CG-O 3.4Å; R37-N187 PolarHBondContact NH1-OD1 2.69Å
38L94.9Very high91.1Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-65-39.1-178.8-66.3-178.4000112.3L18 F34 S35 M40 I41 L42 P73 V85 I88L18-L38 HydrophobicContact CD1-CB 3.82Å; L18-L38 HydrophobicContact CD1-CD1 3.89Å; L18-L38 HydrophobicContact CD2-CB 4.23Å; F34-L38 PolarHBondContact O-N 2.83Å; S35-L38 PolarHBondContact O-N 3.4Å; L38-M40 VanDerWaalsContact C-N 3.35Å; L38-M40 PolarHBondContact O-N 2.9Å; L38-I41 HydrophobicContact CD2-CD1 4.32Å; L38-I41 PolarHBondContact O-N 3.43Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.22Å; L38-P73 HydrophobicContact CD1-CB 4.08Å; L38-P73 HydrophobicContact CD1-CG 4.24Å; L38-V85 HydrophobicContact CD1-CG2 4.48Å; L38-V85 HydrophobicContact CD2-CG1 4.04Å; L38-V85 HydrophobicContact CG-CG1 4.13Å; L38-I88 HydrophobicContact CD1-CB 4.41Å; L38-I88 HydrophobicContact CD1-CD1 3.83Å; L38-I88 HydrophobicContact CD1-CG2 4.09Å; L38-I88 HydrophobicContact CD2-CB 4.07Å; L38-I88 HydrophobicContact CD2-CG2 3.7Å
39F94.6Very high91.5Very high56 Ų5647.3 Ų47.325%0.24625%0.249CC..Hα-helixtrans-58.9-47174.7-172.4-71.7000111.2L18 I29 S35 Q36 R37 I41 L42 W43 F49 V51L18-F39 HydrophobicContact CD2-CB 3.94Å; L18-F39 HydrophobicContact CD2-CD2 4.4Å; I29-F39 HydrophobicContact CD1-CE2 4.49Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å; Q36-F39 PolarHBondContact O-N 3.45Å; R37-F39 VanDerWaalsContact C-N 3.35Å; R37-F39 PolarHBondContact O-N 2.95Å; F39-I41 VanDerWaalsContact C-N 3.32Å; F39-I41 PolarHBondContact O-N 3.48Å; F39-L42 PolarHBondContact O-N 2.87Å; F39-W43 HydrophobicContact CD1-CE3 4.43Å; F39-W43 HydrophobicContact CE1-CD2 4.26Å; F39-W43 AromaticContact CE1-CE3 3.43Å; F39-W43 HydrophobicContact CE1-CE3 3.43Å; F39-W43 VanDerWaalsContact CE1-CE3 3.43Å; F39-W43 AromaticContact CE1-CZ3 3.97Å; F39-W43 HydrophobicContact CE1-CZ3 3.97Å; F39-W43 AromaticContact CZ-CE3 3.86Å; F39-W43 HydrophobicContact CZ-CE3 3.86Å; F39-W43 HydrophobicContact CZ-CZ3 4.02Å; F39-W43 WeakPolarHBondContact O-CB 3.4Å; F39-W43 PolarHBondContact O-N 3.11Å; F39-F49 HydrophobicContact CD1-CZ 4.5Å; F39-F49 HydrophobicContact CD2-CE2 4.08Å; F39-F49 HydrophobicContact CD2-CZ 4.3Å; F39-F49 HydrophobicContact CE1-CZ 4.43Å; F39-F49 HydrophobicContact CE2-CE2 4.21Å; F39-F49 HydrophobicContact CE2-CZ 4.27Å; F39-F49 HydrophobicContact CG-CE2 4.49Å; F39-F49 HydrophobicContact CG-CZ 4.41Å; F39-F49 HydrophobicContact CZ-CZ 4.31Å; F39-V51 HydrophobicContact CD2-CG2 3.87Å; F39-V51 HydrophobicContact CE2-CG2 3.72Å
40M94.4Very high91.9Very high37 Ų3747.2 Ų47.218%0.18225%0.25CC..Hα-helixtrans-61.1-40.3178.1-72.6178.267.600112Q36 R37 L38 W43 L44 C186 L189 P190Q36-M40 HydrophobicContact CG-CG 4.47Å; Q36-M40 HydrophobicContact CG-SD 4.28Å; Q36-M40 WeakPolarHBondContact O-CB 3.49Å; Q36-M40 VanDerWaalsContact O-CG 3.27Å; Q36-M40 WeakPolarHBondContact O-CG 3.35Å; Q36-M40 PolarHBondContact O-N 2.79Å; R37-M40 PolarHBondContact O-N 2.98Å; L38-M40 VanDerWaalsContact C-N 3.35Å; L38-M40 PolarHBondContact O-N 2.9Å; M40-W43 PolarHBondContact O-N 3.25Å; M40-L44 WeakPolarHBondContact O-CB 3.45Å; M40-L44 VanDerWaalsContact O-CG 3.27Å; M40-L44 WeakPolarHBondContact O-CG 3.43Å; M40-L44 PolarHBondContact O-N 2.92Å; M40-C186 HydrophobicContact CB-CB 4.27Å; M40-L189 HydrophobicContact CE-CD1 4.08Å; M40-P190 HydrophobicContact SD-CG 3.96Å
41I94.6Very high92.2Very high1 Ų149.2 Ų49.21%0.00526%0.26CS..Hα-helixtrans-62.5-50.6178.5-66.9163.1000110.8R37 L38 F39 W43 L44 K45 E89 L92 L104 L183 C186R37-I41 HydrophobicContact CG-CD1 3.95Å; R37-I41 VanDerWaalsContact O-CG1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.46Å; R37-I41 PolarHBondContact O-N 3.29Å; R37-I41 VanDerWaalsContact O-N 3.09Å; L38-I41 HydrophobicContact CD2-CD1 4.32Å; L38-I41 PolarHBondContact O-N 3.43Å; F39-I41 VanDerWaalsContact C-N 3.32Å; F39-I41 PolarHBondContact O-N 3.48Å; I41-W43 VanDerWaalsContact C-N 3.28Å; I41-W43 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 3.06Å; I41-K45 WeakPolarHBondContact O-CB 3.27Å; I41-K45 VanDerWaalsContact O-CG 3.31Å; I41-K45 WeakPolarHBondContact O-CG 3.22Å; I41-K45 PolarHBondContact O-N 3Å; I41-E89 HydrophobicContact CD1-CB 4.12Å; I41-E89 HydrophobicContact CD1-CG 3.88Å; I41-E89 VanDerWaalsContact CD1-OE2 3.23Å; I41-E89 WeakPolarHBondContact CD1-OE2 3.43Å; I41-L92 HydrophobicContact CG2-CD1 4.12Å; I41-L104 HydrophobicContact CG2-CD1 4.29Å; I41-L183 HydrophobicContact CD1-CD2 3.94Å; I41-L183 HydrophobicContact CG1-CD2 3.73Å; I41-L183 HydrophobicContact CG2-CD2 4.12Å; I41-C186 HydrophobicContact CD1-CB 4.39Å; I41-C186 HydrophobicContact CG1-CB 3.84Å
42L94.4Very high92.5Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-61-40.2178.1-67.9170.1000111.6I16 L18 L38 F39 K45 G46 V47 F49 L75 L92I16-L42 HydrophobicContact CD1-CD2 4.28Å; I16-L42 HydrophobicContact CG2-CD1 4.22Å; I16-L42 HydrophobicContact CG2-CD2 3.92Å; L18-L42 HydrophobicContact CB-CD1 4Å; L18-L42 HydrophobicContact CD2-CD1 4.16Å; L18-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.22Å; F39-L42 PolarHBondContact O-N 2.87Å; L42-K45 PolarHBondContact O-N 3.35Å; L42-G46 PolarHBondContact O-N 3.34Å; L42-V47 HydrophobicContact CB-CG2 4.12Å; L42-V47 HydrophobicContact CD2-CG2 3.81Å; L42-V47 WeakPolarHBondContact O-CG2 3.27Å; L42-F49 HydrophobicContact CB-CD1 3.68Å; L42-F49 HydrophobicContact CB-CD2 4.19Å; L42-F49 HydrophobicContact CB-CE1 3.55Å; L42-F49 HydrophobicContact CB-CE2 4.05Å; L42-F49 HydrophobicContact CB-CG 4Å; L42-F49 HydrophobicContact CB-CZ 3.75Å; L42-F49 HydrophobicContact CD1-CB 4.37Å; L42-F49 HydrophobicContact CD1-CD1 4.44Å; L42-F49 HydrophobicContact CD1-CD2 3.6Å; L42-F49 HydrophobicContact CD1-CE2 3.89Å; L42-F49 HydrophobicContact CD1-CG 3.9Å; L42-F49 HydrophobicContact CD1-CZ 4.45Å; L42-F49 HydrophobicContact CG-CG 4.46Å; L42-L75 HydrophobicContact CD1-CD1 3.86Å; L42-L92 HydrophobicContact CD2-CD1 3.72Å; L42-L92 HydrophobicContact CD2-CD2 3.81Å; L42-L92 HydrophobicContact CD2-CG 4.43Å; L42-L92 HydrophobicContact CG-CD1 4.16Å
43W94.2Very high92.6Very high177 Ų17747 Ų4767%0.6725%0.25SS*.Hα-helixtrans-62.7-47.5176.2-169-73.5000112.5F39 M40 I41 K45 G46F39-W43 HydrophobicContact CD1-CE3 4.43Å; F39-W43 HydrophobicContact CE1-CD2 4.26Å; F39-W43 AromaticContact CE1-CE3 3.43Å; F39-W43 HydrophobicContact CE1-CE3 3.43Å; F39-W43 VanDerWaalsContact CE1-CE3 3.43Å; F39-W43 AromaticContact CE1-CZ3 3.97Å; F39-W43 HydrophobicContact CE1-CZ3 3.97Å; F39-W43 AromaticContact CZ-CE3 3.86Å; F39-W43 HydrophobicContact CZ-CE3 3.86Å; F39-W43 HydrophobicContact CZ-CZ3 4.02Å; F39-W43 WeakPolarHBondContact O-CB 3.4Å; F39-W43 PolarHBondContact O-N 3.11Å; M40-W43 PolarHBondContact O-N 3.25Å; I41-W43 VanDerWaalsContact C-N 3.28Å; I41-W43 PolarHBondContact O-N 3.38Å; W43-K45 VanDerWaalsContact C-N 3.31Å; W43-K45 PolarHBondContact O-N 3.45Å; W43-G46 PolarHBondContact O-N 3.07Å
44L93.4Very high92.5Very high48 Ų4846.5 Ų46.525%0.25125%0.247SC..Hα-helixtrans-68.2-30.9179.2-71.6174.7000112.5M40 I41 G46 P102 L104 L181 C186M40-L44 WeakPolarHBondContact O-CB 3.45Å; M40-L44 VanDerWaalsContact O-CG 3.27Å; M40-L44 WeakPolarHBondContact O-CG 3.43Å; M40-L44 PolarHBondContact O-N 2.92Å; I41-L44 PolarHBondContact O-N 3.06Å; L44-G46 PolarHBondContact O-N 3.16Å; L44-P102 WeakPolarHBondContact O-CG 3.27Å; L44-L104 HydrophobicContact CB-CD1 3.63Å; L44-L104 HydrophobicContact CB-CD2 3.88Å; L44-L104 HydrophobicContact CB-CG 4.43Å; L44-L104 HydrophobicContact CD1-CD1 4.45Å; L44-L181 HydrophobicContact CD1-CB 3.63Å; L44-L181 HydrophobicContact CD1-CD1 4.32Å; L44-L181 HydrophobicContact CD2-CB 4.02Å; L44-L181 HydrophobicContact CD2-CD1 3.89Å; L44-C186 WeakPolarHBondContact CD1-SG 3.32Å
45K91.7Very high92.2Very high3 Ų344.3 Ų44.31%0.01324%0.239CC..Hα-helixtrans-65.9-19.7170.9-75.2-70.3-174.3178.30112.6I41 L42 W43 V47 E93 L96 Y101 P102 L104I41-K45 WeakPolarHBondContact O-CB 3.27Å; I41-K45 VanDerWaalsContact O-CG 3.31Å; I41-K45 WeakPolarHBondContact O-CG 3.22Å; I41-K45 PolarHBondContact O-N 3Å; L42-K45 PolarHBondContact O-N 3.35Å; W43-K45 VanDerWaalsContact C-N 3.31Å; W43-K45 PolarHBondContact O-N 3.45Å; K45-V47 HydrophobicContact CB-CG1 4.3Å; K45-V47 HydrophobicContact CB-CG2 4.25Å; K45-V47 PolarHBondContact O-N 2.91Å; K45-E93 WeakPolarHBondContact CE-OE2 3.24Å; K45-E93 IonicContact NZ-OE2 2.7Å; K45-E93 PolarHBondContact NZ-OE2 3.01Å; K45-L96 HydrophobicContact CB-CD1 3.97Å; K45-L96 HydrophobicContact CD-CB 3.95Å; K45-L96 HydrophobicContact CD-CD1 4.08Å; K45-L96 HydrophobicContact CG-CD1 3.77Å; K45-L96 PolarHBondContact NZ-O 3.1Å; K45-Y101 VanDerWaalsContact O-CD1 3.26Å; K45-Y101 WeakPolarHBondContact O-CD1 3.31Å; K45-P102 WeakPolarHBondContact CD-O 3.32Å; K45-P102 WeakPolarHBondContact CE-O 3.45Å; K45-P102 PolarHBondContact NZ-O 2.91Å; K45-P102 WeakPolarHBondContact O-CD 3.45Å; K45-L104 HydrophobicContact CD-CD1 4.08Å; K45-L104 HydrophobicContact CD-CG 4.28Å; K45-L104 HydrophobicContact CG-CD1 3.83Å
46G90.8Very high91.4Very high60 Ų6047 Ų4762%0.61925%0.254SS*.THydrogen-bonded Turntrans68.621.1-178.900000113.5L42 W43 L44L42-G46 PolarHBondContact O-N 3.34Å; W43-G46 PolarHBondContact O-N 3.07Å; L44-G46 PolarHBondContact O-N 3.16Å
47V91.4Very high90.7Very high13 Ų1352.5 Ų52.58%0.07928%0.276CS..  trans-77.6151.3173.9-70.60000110.4I16 L42 K45 F49 L96 Y101I16-V47 HydrophobicContact CD1-CB 4.23Å; I16-V47 HydrophobicContact CD1-CG1 4.4Å; I16-V47 HydrophobicContact CD1-CG2 4.07Å; L42-V47 HydrophobicContact CB-CG2 4.12Å; L42-V47 HydrophobicContact CD2-CG2 3.81Å; L42-V47 WeakPolarHBondContact O-CG2 3.27Å; K45-V47 HydrophobicContact CB-CG1 4.3Å; K45-V47 HydrophobicContact CB-CG2 4.25Å; K45-V47 PolarHBondContact O-N 2.91Å; V47-F49 HydrophobicContact CG2-CD1 4.25Å; V47-F49 WeakPolarHBondContact O-CD1 3.41Å; V47-L96 HydrophobicContact CG1-CD1 3.74Å; V47-L96 HydrophobicContact CG1-CD2 3.83Å; V47-L96 HydrophobicContact CG1-CG 4.38Å; V47-L96 HydrophobicContact CG2-CD1 4.38Å; V47-Y101 HydrophobicContact CB-CE1 4.44Å; V47-Y101 HydrophobicContact CG1-CD1 3.7Å; V47-Y101 HydrophobicContact CG1-CE1 3.33Å; V47-Y101 HydrophobicContact CG1-CE2 4.33Å; V47-Y101 HydrophobicContact CG1-CG 4.34Å
48V92.3Very high89.6Confident120 Ų12061.6 Ų61.673%0.72731%0.31SS*.  trans-80.4126.6166.2-178.30000107.9
49F94.8Very high88.3Confident34 Ų3465.8 Ų65.815%0.14933%0.329CS..  trans-147153.2178.567.8-78.6000110.6I16 L18 F39 L42 V47 V51I16-F49 HydrophobicContact CB-CB 3.85Å; I16-F49 HydrophobicContact CG2-CB 3.89Å; I16-F49 CarbonylContact O-C 3.52Å; I16-F49 VanDerWaalsContact O-CA 3.27Å; I16-F49 WeakPolarHBondContact O-CA 3.49Å; I16-F49 WeakPolarHBondContact O-CB 3.4Å; L18-F49 HydrophobicContact CB-CD2 4.39Å; F39-F49 HydrophobicContact CD1-CZ 4.5Å; F39-F49 HydrophobicContact CD2-CE2 4.08Å; F39-F49 HydrophobicContact CD2-CZ 4.3Å; F39-F49 HydrophobicContact CE1-CZ 4.43Å; F39-F49 HydrophobicContact CE2-CE2 4.21Å; F39-F49 HydrophobicContact CE2-CZ 4.27Å; F39-F49 HydrophobicContact CG-CE2 4.49Å; F39-F49 HydrophobicContact CG-CZ 4.41Å; F39-F49 HydrophobicContact CZ-CZ 4.31Å; L42-F49 HydrophobicContact CB-CD1 3.68Å; L42-F49 HydrophobicContact CB-CD2 4.19Å; L42-F49 HydrophobicContact CB-CE1 3.55Å; L42-F49 HydrophobicContact CB-CE2 4.05Å; L42-F49 HydrophobicContact CB-CG 4Å; L42-F49 HydrophobicContact CB-CZ 3.75Å; L42-F49 HydrophobicContact CD1-CB 4.37Å; L42-F49 HydrophobicContact CD1-CD1 4.44Å; L42-F49 HydrophobicContact CD1-CD2 3.6Å; L42-F49 HydrophobicContact CD1-CE2 3.89Å; L42-F49 HydrophobicContact CD1-CG 3.9Å; L42-F49 HydrophobicContact CD1-CZ 4.45Å; L42-F49 HydrophobicContact CG-CG 4.46Å; V47-F49 HydrophobicContact CG2-CD1 4.25Å; V47-F49 WeakPolarHBondContact O-CD1 3.41Å; F49-V51 HydrophobicContact CD2-CG2 3.68Å; F49-V51 HydrophobicContact CE2-CG2 3.34Å; F49-V51 HydrophobicContact CZ-CG2 4.43Å
50N93.9Very high87Confident99 Ų9966.4 Ų66.453%0.52934%0.338SS..EExtended strand (participates in β ladder)trans-96.4151.5173.4-70.2-29.6000110.6I16 E17 L18I16-N50 PolarHBondContact O-N 3.46Å; E17-N50 WeakPolarHBondContact CA-O 3.44Å; E17-N50 HydrophobicContact CB-CB 4.46Å; E17-N50 HydrophobicContact CG-CB 4.06Å; L18-N50 PolarHBondContact N-O 3.46Å
51V92.4Very high85.7Confident52 Ų5268 Ų6832%0.31536%0.357SS..EExtended strand (participates in β ladder)trans-124.4118.9176.5179.90000109.1L18 V20 F39 F49L18-V51 HydrophobicContact CB-CG2 4.49Å; L18-V51 WeakPolarHBondContact O-CA 3.39Å; V20-V51 HydrophobicContact CG1-CG1 4.23Å; V20-V51 HydrophobicContact CG2-CG1 3.88Å; F39-V51 HydrophobicContact CD2-CG2 3.87Å; F39-V51 HydrophobicContact CE2-CG2 3.72Å; F49-V51 HydrophobicContact CD2-CG2 3.68Å; F49-V51 HydrophobicContact CE2-CG2 3.34Å; F49-V51 HydrophobicContact CZ-CG2 4.43Å
52T90.5Very high84.5Confident49 Ų4974 Ų7430%0.30139%0.39SS..EExtended strand (participates in β ladder)trans-113.6121.6-179.8-67.70000109.4E17 L18 F19 V20E17-T52 WeakPolarHBondContact OE1-CB 3.49Å; E17-T52 PolarHBondContact OE1-OG1 3.17Å; L18-T52 PolarHBondContact O-N 3.3Å; F19-T52 WeakPolarHBondContact CA-O 3.28Å; F19-T52 HydrophobicContact CD1-CG2 3.82Å; F19-T52 HydrophobicContact CE1-CG2 3.79Å; V20-T52 PolarHBondContact N-O 3.32Å
53T89.1Confident83.4Confident46 Ų4675 Ų7528%0.28240%0.395SS..EExtended strand (participates in β ladder)trans-83.1134.2176.5540000109.9V20 E27 I29V20-T53 HydrophobicContact CG2-CG2 3.8Å; V20-T53 CarbonylContact O-C 3.59Å; E27-T53 WeakPolarHBondContact O-CB 3.43Å; E27-T53 WeakPolarHBondContact O-CG2 3.42Å; E27-T53 PolarHBondContact O-OG1 3.3Å; I29-T53 HydrophobicContact CG1-CG2 4.15Å
54V86.6Confident82.2Confident5 Ų571.9 Ų71.93%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-112.1111.3-176.2173.10000109.8F19 V20 A22 L56 L63 P72F19-V54 HydrophobicContact CB-CG2 4.12Å; F19-V54 HydrophobicContact CD1-CG2 4.02Å; V20-V54 PolarHBondContact O-N 2.9Å; A22-V54 WeakPolarHBondContact CB-O 3.39Å; A22-V54 PolarHBondContact N-O 3.26Å; V54-L56 HydrophobicContact CG1-CD2 4.3Å; V54-L56 PolarHBondContact O-N 3.05Å; V54-L63 HydrophobicContact CB-CD2 4.1Å; V54-L63 HydrophobicContact CG1-CD2 3.27Å; V54-L63 HydrophobicContact CG2-CD1 4.11Å; V54-L63 HydrophobicContact CG2-CD2 3.66Å; V54-P72 HydrophobicContact CB-CG 3.75Å; V54-P72 HydrophobicContact CG1-CG 3.79Å; V54-P72 HydrophobicContact CG2-CG 4.15Å
55D83.9Confident81.1Confident39 Ų3975.4 Ų75.421%0.20941%0.407CS..  trans-76.6110.4166.4-175.60.8000110.1A22 K57 R58 K59A22-D55 HydrophobicContact CB-CB 4.43Å; D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.2Å; D55-K57 PolarHBondContact OD1-N 3.37Å; D55-R58 HydrophobicContact CB-CB 4.38Å; D55-R58 CarbonylContact O-C 3.55Å; D55-R58 VanDerWaalsContact O-C 3.23Å; D55-R58 PolarHBondContact O-N 3.12Å; D55-R58 WeakPolarHBondContact OD2-CB 3.48Å; D55-K59 PolarHBondContact O-N 3.43Å
56L75.6Confident80.4Confident58 Ų5878.4 Ų78.430%0.30442%0.422SS..SBendtrans-67.8-18.8178.1-68.3174000113.5K21 V54 P72K21-L56 HydrophobicContact CD-CD1 4.25Å; K21-L56 HydrophobicContact CG-CD1 4.41Å; V54-L56 HydrophobicContact CG1-CD2 4.3Å; V54-L56 PolarHBondContact O-N 3.05Å; L56-P72 HydrophobicContact CD2-CG 4.35Å
57K77Confident79.4Confident193 Ų19376 Ų7684%0.83940%0.396SS*.SBendtrans-83.9-30.7176.2-62.2178.8-178.8173.90111.9D55D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.2Å; D55-K57 PolarHBondContact OD1-N 3.37Å
58R71.6Confident78.4Confident204 Ų20479.6 Ų79.677%0.7742%0.42SS*.SBendtrans-124.364.5-179.2-62.1178.1176.3-179.61.1109.3D55 P60D55-R58 HydrophobicContact CB-CB 4.38Å; D55-R58 CarbonylContact O-C 3.55Å; D55-R58 VanDerWaalsContact O-C 3.23Å; D55-R58 PolarHBondContact O-N 3.12Å; D55-R58 WeakPolarHBondContact OD2-CB 3.48Å; R58-P60 VanDerWaalsContact O-CD 3.24Å; R58-P60 WeakPolarHBondContact O-CD 3.24Å
59K66.4Low77.4Confident88 Ų8876.7 Ų76.738%0.38341%0.414SS..  trans-62.2120179.3-74.9-169.1178.3-171.20109.8D55D55-K59 PolarHBondContact O-N 3.43Å
60P68.4Low76.6Confident68 Ų6876.8 Ų76.844%0.44242%0.418SS..  trans-60.9144.3171.2-18.931.7000110.1R58 D62 L63 H64R58-P60 VanDerWaalsContact O-CD 3.24Å; R58-P60 WeakPolarHBondContact O-CD 3.24Å; P60-D62 PolarHBondContact O-N 3.15Å; P60-L63 HydrophobicContact CB-CB 4.47Å; P60-L63 WeakPolarHBondContact O-CB 3.33Å; P60-L63 PolarHBondContact O-N 2.67Å; P60-L63 VanDerWaalsContact O-N 3.17Å; P60-H64 PolarHBondContact O-N 3.18Å
61A67.4Low76.1Confident71 Ų7178.4 Ų78.459%0.58742%0.422SS*.Hα-helixtrans-58.9-36.7179.400000112L63 H64 N65A61-L63 VanDerWaalsContact C-N 3.28Å; A61-L63 PolarHBondContact O-N 2.8Å; A61-H64 WeakPolarHBondContact O-CB 3.28Å; A61-H64 PolarHBondContact O-N 3.4Å; A61-H64 VanDerWaalsContact O-N 3.15Å; A61-N65 PolarHBondContact O-N 3.47Å; A61-N65 PolarHBondContact O-ND2 3.14Å
62D69.7Low75.7Confident128 Ų12876.8 Ų76.868%0.68441%0.412SS*.Hα-helixtrans-62.6-36.9179.9-55.7-30.5000111.9P60 H64 N65 L66P60-D62 PolarHBondContact O-N 3.15Å; D62-H64 VanDerWaalsContact C-N 3.35Å; D62-H64 PolarHBondContact O-N 3.11Å; D62-N65 PolarHBondContact O-N 3.22Å; D62-L66 WeakPolarHBondContact O-CB 3.36Å; D62-L66 PolarHBondContact O-N 2.94Å
63L70.1Confident75.8Confident20 Ų2075.1 Ų75.111%0.10540%0.402CS..Hα-helixtrans-68.1-35.4177.3-160.376.6000112.5F19 V54 P60 A61 N65 L66 A67 F74F19-L63 HydrophobicContact CD1-CD1 3.61Å; F19-L63 HydrophobicContact CE1-CD1 3.7Å; F19-L63 HydrophobicContact CG-CD1 4.46Å; V54-L63 HydrophobicContact CB-CD2 4.1Å; V54-L63 HydrophobicContact CG1-CD2 3.27Å; V54-L63 HydrophobicContact CG2-CD1 4.11Å; V54-L63 HydrophobicContact CG2-CD2 3.66Å; P60-L63 HydrophobicContact CB-CB 4.47Å; P60-L63 WeakPolarHBondContact O-CB 3.33Å; P60-L63 PolarHBondContact O-N 2.67Å; P60-L63 VanDerWaalsContact O-N 3.17Å; A61-L63 VanDerWaalsContact C-N 3.28Å; A61-L63 PolarHBondContact O-N 2.8Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-L66 PolarHBondContact O-N 2.65Å; L63-A67 PolarHBondContact O-N 3.08Å; L63-F74 HydrophobicContact CD1-CE2 4.4Å; L63-F74 HydrophobicContact CD1-CZ 3.61Å; L63-F74 HydrophobicContact CG-CZ 4.17Å
64H68.3Low75.9Confident112 Ų11273 Ų7352%0.51939%0.389SS..Hα-helixtrans-65.2-37176.3-176.8-77.9000111.3P60 A61 D62 P68P60-H64 PolarHBondContact O-N 3.18Å; A61-H64 WeakPolarHBondContact O-CB 3.28Å; A61-H64 PolarHBondContact O-N 3.4Å; A61-H64 VanDerWaalsContact O-N 3.15Å; D62-H64 VanDerWaalsContact C-N 3.35Å; D62-H64 PolarHBondContact O-N 3.11Å; H64-P68 WeakPolarHBondContact O-CA 3.38Å; H64-P68 WeakPolarHBondContact O-CB 3.42Å; H64-P68 WeakPolarHBondContact O-CD 3.5Å
65N72.1Confident76.3Confident122 Ų12272.7 Ų72.765%0.65239%0.388SS*.Hα-helixtrans-74.5-36.6177.2-65.1-27.4000111.9A61 D62 L63A61-N65 PolarHBondContact O-N 3.47Å; A61-N65 PolarHBondContact O-ND2 3.14Å; D62-N65 PolarHBondContact O-N 3.22Å; L63-N65 VanDerWaalsContact C-N 3.29Å
66L75.6Confident76.7Confident66 Ų6671.2 Ų71.235%0.34638%0.38SS..Hα-helixtrans-67-52178.3-173.865.3000111.6F19 D62 L63 F74 T76 V81F19-L66 HydrophobicContact CE1-CD2 4.23Å; F19-L66 HydrophobicContact CE2-CD2 3.92Å; F19-L66 HydrophobicContact CZ-CD2 3.57Å; D62-L66 WeakPolarHBondContact O-CB 3.36Å; D62-L66 PolarHBondContact O-N 2.94Å; L63-L66 PolarHBondContact O-N 2.65Å; L66-F74 HydrophobicContact CD2-CE2 4.35Å; L66-T76 HydrophobicContact CD1-CG2 4.08Å; L66-T76 HydrophobicContact CD2-CG2 3.9Å; L66-T76 HydrophobicContact CG-CG2 4.28Å; L66-V81 HydrophobicContact CD1-CG2 3.71Å; L66-V81 HydrophobicContact CG-CG2 3.77Å; L66-V81 WeakPolarHBondContact O-CG2 3.42Å
67A69.8Low77.5Confident8 Ų869.5 Ų69.57%0.06637%0.37CS..SBendtrans-139.375-174.800000111.6L63 G69 T70 F74 V81L63-A67 PolarHBondContact O-N 3.08Å; A67-G69 PolarHBondContact O-N 3.45Å; A67-T70 HydrophobicContact CB-CG2 4.43Å; A67-T70 PolarHBondContact O-N 3.3Å; A67-T70 VanDerWaalsContact O-N 3.11Å; A67-F74 HydrophobicContact CB-CD2 4.39Å; A67-F74 HydrophobicContact CB-CE2 3.98Å; A67-F74 HydrophobicContact CB-CZ 4.03Å; A67-V81 HydrophobicContact CB-CG1 3.98Å
68P71.6Confident78.3Confident89 Ų8964.6 Ų64.658%0.57835%0.353SS*.THydrogen-bonded Turntrans-60.1126.5-17622.6-32.1000110.9H64 T70H64-P68 WeakPolarHBondContact O-CA 3.38Å; H64-P68 WeakPolarHBondContact O-CB 3.42Å; H64-P68 WeakPolarHBondContact O-CD 3.5Å; P68-T70 PolarHBondContact O-N 2.82Å; P68-T70 VanDerWaalsContact O-N 3.15Å
69G71.2Confident79Confident59 Ų5957.2 Ų57.261%0.60834%0.34SS*.THydrogen-bonded Turntrans71.40.5179.300000115.8A67A67-G69 PolarHBondContact O-N 3.45Å
70T78.4Confident80.2Confident37 Ų3757.9 Ų57.923%0.22735%0.348CS..PPolyproline II helixtrans-80.5135.7179.4-590000110.6A67 P68 F74 T83A67-T70 HydrophobicContact CB-CG2 4.43Å; A67-T70 PolarHBondContact O-N 3.3Å; A67-T70 VanDerWaalsContact O-N 3.11Å; P68-T70 PolarHBondContact O-N 2.82Å; P68-T70 VanDerWaalsContact O-N 3.15Å; T70-F74 HydrophobicContact CG2-CB 4.02Å; T70-F74 HydrophobicContact CG2-CD1 3.74Å; T70-F74 HydrophobicContact CG2-CE1 4.43Å; T70-F74 HydrophobicContact CG2-CG 4.03Å; T70-T83 HydrophobicContact CG2-CG2 3.58Å
71H81.4Confident81.3Confident132 Ų13257 Ų5761%0.61134%0.341SS*.PPolyproline II helixtrans-97136.4173-71.2-80.4000109.7
72P85.8Confident82.5Confident18 Ų1856.4 Ų56.412%0.11733%0.325CS..SBendtrans-57.1147.2171.1-22.332.2000112.2K21 V54 L56 F74K21-P72 HydrophobicContact CB-CB 4.38Å; V54-P72 HydrophobicContact CB-CG 3.75Å; V54-P72 HydrophobicContact CG1-CG 3.79Å; V54-P72 HydrophobicContact CG2-CG 4.15Å; L56-P72 HydrophobicContact CD2-CG 4.35Å; P72-F74 HydrophobicContact CG-CE1 4.23Å
73P91.3Very high83.5Confident14 Ų1453.4 Ų53.49%0.09131%0.312CS..PPolyproline II helixcis-85.61484.935-36.8000114.2F19 F34 L38 V85F19-P73 VanDerWaalsContact O-CA 3.24Å; F19-P73 WeakPolarHBondContact O-CA 3.36Å; F34-P73 HydrophobicContact CB-CG 3.77Å; L38-P73 HydrophobicContact CD1-CB 4.08Å; L38-P73 HydrophobicContact CD1-CG 4.24Å; P73-V85 HydrophobicContact CG-CG2 3.69Å
74F92.6Very high84.5Confident1 Ų156.2 Ų56.20%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-146.7166.4168.162.3-92.4000109.8F19 L63 L66 A67 T70 P72 V81 K82 T83F19-F74 HydrophobicContact CB-CD1 4.04Å; F19-F74 HydrophobicContact CB-CD2 3.9Å; F19-F74 HydrophobicContact CB-CE1 3.76Å; F19-F74 HydrophobicContact CB-CE2 3.62Å; F19-F74 HydrophobicContact CB-CG 4.11Å; F19-F74 HydrophobicContact CB-CZ 3.56Å; F19-F74 HydrophobicContact CD1-CE2 4.07Å; F19-F74 HydrophobicContact CD1-CZ 4Å; F19-F74 AromaticContact CD2-CD2 3.65Å; F19-F74 HydrophobicContact CD2-CD2 3.65Å; F19-F74 AromaticContact CD2-CE2 3.28Å; F19-F74 HydrophobicContact CD2-CE2 3.28Å; F19-F74 HydrophobicContact CD2-CZ 4.01Å; F19-F74 HydrophobicContact CE2-CD2 4.47Å; F19-F74 AromaticContact CE2-CE2 3.92Å; F19-F74 HydrophobicContact CE2-CE2 3.92Å; F19-F74 AromaticContact CG-CD2 3.96Å; F19-F74 HydrophobicContact CG-CD2 3.96Å; F19-F74 HydrophobicContact CG-CE1 4.29Å; F19-F74 AromaticContact CG-CE2 3.36Å; F19-F74 HydrophobicContact CG-CE2 3.36Å; F19-F74 AromaticContact CG-CZ 3.57Å; F19-F74 HydrophobicContact CG-CZ 3.57Å; F19-F74 PolarHBondContact N-O 2.57Å; F19-F74 PolarHBondContact O-N 3.17Å; L63-F74 HydrophobicContact CD1-CE2 4.4Å; L63-F74 HydrophobicContact CD1-CZ 3.61Å; L63-F74 HydrophobicContact CG-CZ 4.17Å; L66-F74 HydrophobicContact CD2-CE2 4.35Å; A67-F74 HydrophobicContact CB-CD2 4.39Å; A67-F74 HydrophobicContact CB-CE2 3.98Å; A67-F74 HydrophobicContact CB-CZ 4.03Å; T70-F74 HydrophobicContact CG2-CB 4.02Å; T70-F74 HydrophobicContact CG2-CD1 3.74Å; T70-F74 HydrophobicContact CG2-CE1 4.43Å; T70-F74 HydrophobicContact CG2-CG 4.03Å; P72-F74 HydrophobicContact CG-CE1 4.23Å; F74-V81 HydrophobicContact CD2-CG1 4.23Å; F74-K82 WeakPolarHBondContact CB-O 3.41Å; F74-T83 HydrophobicContact CB-CG2 4.41Å
75L93.9Very high85.6Confident0 Ų051.7 Ų51.70%031%0.307CS..EExtended strand (participates in β ladder)trans-125.1145.5-174.8-170.791.6000109I16 E17 L18 L42 F77 V81 K82 I88 L92I16-L75 HydrophobicContact CG2-CD1 3.6Å; I16-L75 HydrophobicContact CG2-CD2 4.3Å; I16-L75 HydrophobicContact CG2-CG 4.15Å; E17-L75 CarbonylContact O-C 3.55Å; E17-L75 WeakPolarHBondContact O-CA 3.24Å; L18-L75 HydrophobicContact CB-CD1 4.11Å; L18-L75 HydrophobicContact CD1-CD1 4.05Å; L42-L75 HydrophobicContact CD1-CD1 3.86Å; L75-F77 HydrophobicContact CD2-CB 4.33Å; L75-V81 CarbonylContact O-C 3.46Å; L75-V81 WeakPolarHBondContact O-CA 3.5Å; L75-K82 HydrophobicContact CB-CB 4.37Å; L75-K82 PolarHBondContact N-O 2.84Å; L75-K82 PolarHBondContact O-N 3.24Å; L75-I88 HydrophobicContact CB-CD1 4.24Å; L75-I88 HydrophobicContact CB-CG1 4.38Å; L75-I88 HydrophobicContact CB-CG2 4.02Å; L75-I88 HydrophobicContact CD2-CG2 4.03Å; L75-I88 HydrophobicContact CG-CG2 4.48Å; L75-L92 HydrophobicContact CD2-CD2 3.96Å; L75-L92 HydrophobicContact CD2-CG 4.42Å
76T92.9Very high86.5Confident8 Ų849.8 Ų49.85%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-105.8139.7155.664.30000109.7I16 E17 F19 L66 D80 V81I16-T76 WeakPolarHBondContact CA-O 3.36Å; E17-T76 WeakPolarHBondContact CB-OG1 3.49Å; E17-T76 PolarHBondContact N-O 3.34Å; E17-T76 VanDerWaalsContact N-O 3.11Å; E17-T76 PolarHBondContact O-N 3.36Å; F19-T76 HydrophobicContact CE2-CG2 3.73Å; L66-T76 HydrophobicContact CD1-CG2 4.08Å; L66-T76 HydrophobicContact CD2-CG2 3.9Å; L66-T76 HydrophobicContact CG-CG2 4.28Å; T76-D80 WeakPolarHBondContact CA-O 3.32Å; T76-V81 HydrophobicContact CG2-CG2 3.9Å
77F93.2Very high87.4Confident21 Ų2153 Ų539%0.09231%0.308CS..EExtended strand (participates in β ladder)trans-128.4111.6175.2-172.4-82.8000107.9P14 E15 I16 L75 G79 D80 F91 T95P14-F77 HydrophobicContact CB-CD2 4.41Å; P14-F77 HydrophobicContact CB-CE1 4.05Å; P14-F77 HydrophobicContact CB-CE2 3.58Å; P14-F77 HydrophobicContact CB-CZ 3.36Å; P14-F77 HydrophobicContact CG-CE2 4.06Å; P14-F77 HydrophobicContact CG-CZ 4.05Å; E15-F77 WeakPolarHBondContact O-CA 3.46Å; I16-F77 HydrophobicContact CD1-CD2 4.05Å; I16-F77 HydrophobicContact CD1-CE2 3.88Å; I16-F77 HydrophobicContact CG1-CD2 3.78Å; I16-F77 HydrophobicContact CG1-CE2 3.96Å; L75-F77 HydrophobicContact CD2-CB 4.33Å; F77-G79 PolarHBondContact O-N 3.11Å; F77-D80 PolarHBondContact N-O 3.04Å; F77-D80 WeakPolarHBondContact O-CB 3.49Å; F77-D80 PolarHBondContact O-N 3.27Å; F77-F91 HydrophobicContact CB-CE1 3.82Å; F77-F91 HydrophobicContact CB-CZ 4.21Å; F77-F91 HydrophobicContact CD1-CE1 4.04Å; F77-F91 AromaticContact CD1-CZ 3.76Å; F77-F91 HydrophobicContact CD1-CZ 3.76Å; F77-F91 AromaticContact CD2-CE1 3.68Å; F77-F91 HydrophobicContact CD2-CE1 3.68Å; F77-F91 HydrophobicContact CD2-CZ 4.23Å; F77-F91 HydrophobicContact CE1-CZ 4.15Å; F77-F91 HydrophobicContact CE2-CE1 4.23Å; F77-F91 AromaticContact CG-CE1 3.57Å; F77-F91 HydrophobicContact CG-CE1 3.57Å; F77-F91 AromaticContact CG-CZ 3.8Å; F77-F91 HydrophobicContact CG-CZ 3.8Å; F77-T95 HydrophobicContact CE1-CG2 4.05Å; F77-T95 HydrophobicContact CE2-CG2 4.16Å; F77-T95 HydrophobicContact CZ-CG2 3.54Å
78N92.1Very high88.5Confident91 Ų9152.6 Ų52.649%0.48731%0.305SS..THydrogen-bonded Turntrans5139.4-172.5-62.9-23.1000112.8P14 E15 D80P14-N78 WeakPolarHBondContact CA-OD1 3.41Å; E15-N78 PolarHBondContact N-OD1 2.73Å; E15-N78 PolarHBondContact O-N 3.37Å; N78-D80 VanDerWaalsContact C-N 3.29Å; N78-D80 PolarHBondContact O-N 2.92Å
79G88.1Confident89.6Confident48 Ų4849.5 Ų49.550%0.49528%0.283SS..THydrogen-bonded Turntrans84.2-13.2-176.800000115.4F77F77-G79 PolarHBondContact O-N 3.11Å
80D90.8Very high90.7Very high102 Ų10252.3 Ų52.355%0.54528%0.28SS..EExtended strand (participates in β ladder)trans-81.7120.9177.5-74.9-26000111.6T76 F77 N78 K82T76-D80 WeakPolarHBondContact CA-O 3.32Å; F77-D80 PolarHBondContact N-O 3.04Å; F77-D80 WeakPolarHBondContact O-CB 3.49Å; F77-D80 PolarHBondContact O-N 3.27Å; N78-D80 VanDerWaalsContact C-N 3.29Å; N78-D80 PolarHBondContact O-N 2.92Å; D80-K82 PolarHBondContact O-N 2.84Å
81V91.9Very high91.4Very high49 Ų4952.7 Ų52.730%0.29728%0.279SS..EExtended strand (participates in β ladder)trans-73.6125177.4-179.80000110.9L66 A67 F74 L75 T76 T83L66-V81 HydrophobicContact CD1-CG2 3.71Å; L66-V81 HydrophobicContact CG-CG2 3.77Å; L66-V81 WeakPolarHBondContact O-CG2 3.42Å; A67-V81 HydrophobicContact CB-CG1 3.98Å; F74-V81 HydrophobicContact CD2-CG1 4.23Å; L75-V81 CarbonylContact O-C 3.46Å; L75-V81 WeakPolarHBondContact O-CA 3.5Å; T76-V81 HydrophobicContact CG2-CG2 3.9Å; V81-T83 HydrophobicContact CG1-CG2 3.96Å
82K92.6Very high92Very high59 Ų5946.5 Ų46.526%0.25725%0.25SC..EExtended strand (participates in β ladder)trans-111.2128.9171-51.6-60.6-179.1-174.20109.2F74 L75 D80 I88 F91F74-K82 WeakPolarHBondContact CB-O 3.41Å; L75-K82 HydrophobicContact CB-CB 4.37Å; L75-K82 PolarHBondContact N-O 2.84Å; L75-K82 PolarHBondContact O-N 3.24Å; D80-K82 PolarHBondContact O-N 2.84Å; K82-I88 HydrophobicContact CB-CG1 3.75Å; K82-I88 WeakPolarHBondContact O-CD1 3.31Å; K82-F91 HydrophobicContact CG-CD1 4.31Å; K82-F91 HydrophobicContact CG-CE1 4.39Å
83T90.5Very high92.3Very high66 Ų6647.1 Ų47.141%0.40525%0.251SS..  trans-119.6167.5177.766.20000109.5T70 F74 V81T70-T83 HydrophobicContact CG2-CG2 3.58Å; F74-T83 HydrophobicContact CB-CG2 4.41Å; V81-T83 HydrophobicContact CG1-CG2 3.96Å
84D90.6Very high92.3Very high78 Ų7853.6 Ų53.642%0.41728%0.28SS..SBendtrans68.5116.9-170.4-167.9-44.3000112.9N86 K87 I88D84-N86 VanDerWaalsContact C-N 3.27Å; D84-N86 PolarHBondContact O-N 3.41Å; D84-N86 PolarHBondContact OD1-N 2.91Å; D84-K87 HydrophobicContact CB-CB 4.15Å; D84-K87 HydrophobicContact CB-CD 4.09Å; D84-K87 HydrophobicContact CB-CG 4.04Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 PolarHBondContact OD1-N 3.47Å; D84-I88 WeakPolarHBondContact O-CD1 3.46Å; D84-I88 WeakPolarHBondContact O-CG1 3.45Å; D84-I88 PolarHBondContact O-N 2.88Å
85V91Very high92.2Very high18 Ų1856.2 Ų56.211%0.10930%0.296CS..Hα-helixtrans-58.9-37.9-175.8176.70000112.3F34 L38 P73 E89F34-V85 HydrophobicContact CB-CG2 3.82Å; F34-V85 HydrophobicContact CD1-CG2 4.33Å; F34-V85 HydrophobicContact CG-CG2 4.34Å; L38-V85 HydrophobicContact CD1-CG2 4.48Å; L38-V85 HydrophobicContact CD2-CG1 4.04Å; L38-V85 HydrophobicContact CG-CG1 4.13Å; P73-V85 HydrophobicContact CG-CG2 3.69Å; V85-E89 WeakPolarHBondContact O-CB 3.39Å; V85-E89 PolarHBondContact O-N 3.38Å
86N91.8Very high92Very high81 Ų8156.3 Ų56.343%0.43330%0.297SS..Hα-helixtrans-73.5-41-178.2-58.9-50.4000110.5R37 D84 I88 E89 E90R37-N86 PolarHBondContact NH1-OD1 3.48Å; D84-N86 VanDerWaalsContact C-N 3.27Å; D84-N86 PolarHBondContact O-N 3.41Å; D84-N86 PolarHBondContact OD1-N 2.91Å; N86-I88 VanDerWaalsContact C-N 3.34Å; N86-I88 PolarHBondContact O-N 3.3Å; N86-E89 PolarHBondContact O-N 3.41Å; N86-E90 WeakPolarHBondContact O-CG 3.27Å; N86-E90 PolarHBondContact O-N 3.48Å
87K93.3Very high91.5Very high133 Ų13358.9 Ų58.958%0.57831%0.313SS*.Hα-helixtrans-66.2-37.7176.2-64.2-173.5-178.7179.70112.2D84 E89 F91D84-K87 HydrophobicContact CB-CB 4.15Å; D84-K87 HydrophobicContact CB-CD 4.09Å; D84-K87 HydrophobicContact CB-CG 4.04Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 PolarHBondContact OD1-N 3.47Å; K87-E89 VanDerWaalsContact C-N 3.35Å; K87-F91 WeakPolarHBondContact O-CB 3.3Å; K87-F91 PolarHBondContact O-N 3.01Å
88I94.4Very high90.8Very high0 Ų062.4 Ų62.40%034%0.338CS..Hα-helixtrans-62.3-45.2174.3-66.4161.1000110L38 L75 K82 D84 N86 F91 L92L38-I88 HydrophobicContact CD1-CB 4.41Å; L38-I88 HydrophobicContact CD1-CD1 3.83Å; L38-I88 HydrophobicContact CD1-CG2 4.09Å; L38-I88 HydrophobicContact CD2-CB 4.07Å; L38-I88 HydrophobicContact CD2-CG2 3.7Å; L75-I88 HydrophobicContact CB-CD1 4.24Å; L75-I88 HydrophobicContact CB-CG1 4.38Å; L75-I88 HydrophobicContact CB-CG2 4.02Å; L75-I88 HydrophobicContact CD2-CG2 4.03Å; L75-I88 HydrophobicContact CG-CG2 4.48Å; K82-I88 HydrophobicContact CB-CG1 3.75Å; K82-I88 WeakPolarHBondContact O-CD1 3.31Å; D84-I88 WeakPolarHBondContact O-CD1 3.46Å; D84-I88 WeakPolarHBondContact O-CG1 3.45Å; D84-I88 PolarHBondContact O-N 2.88Å; N86-I88 VanDerWaalsContact C-N 3.34Å; N86-I88 PolarHBondContact O-N 3.3Å; I88-F91 PolarHBondContact O-N 3.39Å; I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.32Å; I88-L92 PolarHBondContact O-N 2.95Å
89E94.1Very high90.4Very high25 Ų2567.3 Ų67.312%0.11736%0.358CS..Hα-helixtrans-60-49.6176.7174.5175.5109.100112.3R37 I41 V85 N86 K87 F91 L92 E93 L183R37-E89 IonicContact CZ-OE1 3.86Å; R37-E89 IonicContact CZ-OE2 2.75Å; R37-E89 IonicContact NE-OE2 2.61Å; R37-E89 PolarHBondContact NE-OE2 3.42Å; R37-E89 IonicContact NH2-OE1 2.81Å; R37-E89 PolarHBondContact NH2-OE1 3.07Å; R37-E89 IonicContact NH2-OE2 3.33Å; R37-E89 PolarHBondContact NH2-OE2 3.28Å; I41-E89 HydrophobicContact CD1-CB 4.12Å; I41-E89 HydrophobicContact CD1-CG 3.88Å; I41-E89 VanDerWaalsContact CD1-OE2 3.23Å; I41-E89 WeakPolarHBondContact CD1-OE2 3.43Å; V85-E89 WeakPolarHBondContact O-CB 3.39Å; V85-E89 PolarHBondContact O-N 3.38Å; N86-E89 PolarHBondContact O-N 3.41Å; K87-E89 VanDerWaalsContact C-N 3.35Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 3.15Å; E89-L92 PolarHBondContact O-N 3.09Å; E89-E93 PolarHBondContact O-N 3.47Å; E89-L183 HydrophobicContact CG-CD1 3.91Å; E89-L183 HydrophobicContact CG-CD2 3.91Å; E89-L183 HydrophobicContact CG-CG 4.4Å
90E93.6Very high90.2Very high117 Ų11770.2 Ų70.255%0.54736%0.357SS..Hα-helixtrans-56.8-48.1176.6-72.3168.8-175.500110.7N86 L92 E93 E94N86-E90 WeakPolarHBondContact O-CG 3.27Å; N86-E90 PolarHBondContact O-N 3.48Å; E90-L92 PolarHBondContact O-N 3.28Å; E90-E93 PolarHBondContact O-N 3.29Å; E90-E94 WeakPolarHBondContact O-CB 3.36Å; E90-E94 WeakPolarHBondContact O-CG 3.48Å; E90-E94 PolarHBondContact O-N 3.24Å
91F94.4Very high90.1Very high46 Ų4666.7 Ų66.720%0.20234%0.336CS..Hα-helixtrans-60.3-43.8177.9173.3-99.3000112.8F77 K82 K87 I88 E89 E94 T95F77-F91 HydrophobicContact CB-CE1 3.82Å; F77-F91 HydrophobicContact CB-CZ 4.21Å; F77-F91 HydrophobicContact CD1-CE1 4.04Å; F77-F91 AromaticContact CD1-CZ 3.76Å; F77-F91 HydrophobicContact CD1-CZ 3.76Å; F77-F91 AromaticContact CD2-CE1 3.68Å; F77-F91 HydrophobicContact CD2-CE1 3.68Å; F77-F91 HydrophobicContact CD2-CZ 4.23Å; F77-F91 HydrophobicContact CE1-CZ 4.15Å; F77-F91 HydrophobicContact CE2-CE1 4.23Å; F77-F91 AromaticContact CG-CE1 3.57Å; F77-F91 HydrophobicContact CG-CE1 3.57Å; F77-F91 AromaticContact CG-CZ 3.8Å; F77-F91 HydrophobicContact CG-CZ 3.8Å; K82-F91 HydrophobicContact CG-CD1 4.31Å; K82-F91 HydrophobicContact CG-CE1 4.39Å; K87-F91 WeakPolarHBondContact O-CB 3.3Å; K87-F91 PolarHBondContact O-N 3.01Å; I88-F91 PolarHBondContact O-N 3.39Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 3.15Å; F91-E94 PolarHBondContact O-N 3.31Å; F91-T95 VanDerWaalsContact CE2-OG1 3.26Å; F91-T95 WeakPolarHBondContact CE2-OG1 3.27Å; F91-T95 HydrophobicContact CZ-CG2 4.26Å; F91-T95 WeakPolarHBondContact CZ-OG1 3.3Å; F91-T95 WeakPolarHBondContact O-CB 3.34Å; F91-T95 PolarHBondContact O-N 3.21Å; F91-T95 PolarHBondContact O-OG1 2.85Å
92L93.4Very high90.1Very high1 Ų167.5 Ų67.51%0.00534%0.342CS..Hα-helixtrans-66.8-39.6178.8-73.1174.5000111.7I41 L42 L75 I88 E89 E90 L96I41-L92 HydrophobicContact CG2-CD1 4.12Å; L42-L92 HydrophobicContact CD2-CD1 3.72Å; L42-L92 HydrophobicContact CD2-CD2 3.81Å; L42-L92 HydrophobicContact CD2-CG 4.43Å; L42-L92 HydrophobicContact CG-CD1 4.16Å; L75-L92 HydrophobicContact CD2-CD2 3.96Å; L75-L92 HydrophobicContact CD2-CG 4.42Å; I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.32Å; I88-L92 PolarHBondContact O-N 2.95Å; E89-L92 PolarHBondContact O-N 3.09Å; E90-L92 PolarHBondContact O-N 3.28Å; L92-L96 HydrophobicContact CB-CD1 4.42Å; L92-L96 HydrophobicContact CD2-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.93Å
93E92.3Very high90.1Very high31 Ų3171.7 Ų71.715%0.14536%0.36CS..Hα-helixtrans-68.9-36.7177.9-175.466.9176.200112.1K45 E89 E90 K103 L104 A105 L183K45-E93 WeakPolarHBondContact CE-OE2 3.24Å; K45-E93 IonicContact NZ-OE2 2.7Å; K45-E93 PolarHBondContact NZ-OE2 3.01Å; E89-E93 PolarHBondContact O-N 3.47Å; E90-E93 PolarHBondContact O-N 3.29Å; E93-K103 WeakPolarHBondContact OE1-CG 3.12Å; E93-L104 PolarHBondContact OE1-N 3.04Å; E93-L104 PolarHBondContact OE2-N 3.33Å; E93-A105 HydrophobicContact CG-CB 4.37Å; E93-A105 WeakPolarHBondContact OE1-CB 3.28Å; E93-A105 PolarHBondContact OE1-N 3.45Å; E93-L183 HydrophobicContact CB-CD1 4.36Å; E93-L183 HydrophobicContact CG-CD1 4.27Å
94E91.8Very high90.2Very high151 Ų15169 Ų6971%0.70634%0.344SS*.Hα-helixtrans-74.2-41.2176.9-72.3178.3177.500112.8E90 F91E90-E94 WeakPolarHBondContact O-CB 3.36Å; E90-E94 WeakPolarHBondContact O-CG 3.48Å; E90-E94 PolarHBondContact O-N 3.24Å; F91-E94 PolarHBondContact O-N 3.31Å
95T90.8Very high90.3Very high55 Ų5567 Ų6734%0.33734%0.338SS..Hα-helixtrans-81.5-38.1-174.3-530000112F77 F91 T97F77-T95 HydrophobicContact CE1-CG2 4.05Å; F77-T95 HydrophobicContact CE2-CG2 4.16Å; F77-T95 HydrophobicContact CZ-CG2 3.54Å; F91-T95 VanDerWaalsContact CE2-OG1 3.26Å; F91-T95 WeakPolarHBondContact CE2-OG1 3.27Å; F91-T95 HydrophobicContact CZ-CG2 4.26Å; F91-T95 WeakPolarHBondContact CZ-OG1 3.3Å; F91-T95 WeakPolarHBondContact O-CB 3.34Å; F91-T95 PolarHBondContact O-N 3.21Å; F91-T95 PolarHBondContact O-OG1 2.85Å; T95-T97 PolarHBondContact O-N 3.26Å; T95-T97 VanDerWaalsContact O-N 3.13Å
96L88.6Confident90.3Very high3 Ų366.9 Ų66.92%0.01634%0.339CS..SBendtrans-88.580.6178.6-55.8175.9000109.2P14 K45 V47 L92 Y101P14-L96 HydrophobicContact CG-CD2 4.36Å; K45-L96 HydrophobicContact CB-CD1 3.97Å; K45-L96 HydrophobicContact CD-CB 3.95Å; K45-L96 HydrophobicContact CD-CD1 4.08Å; K45-L96 HydrophobicContact CG-CD1 3.77Å; K45-L96 PolarHBondContact NZ-O 3.1Å; V47-L96 HydrophobicContact CG1-CD1 3.74Å; V47-L96 HydrophobicContact CG1-CD2 3.83Å; V47-L96 HydrophobicContact CG1-CG 4.38Å; V47-L96 HydrophobicContact CG2-CD1 4.38Å; L92-L96 HydrophobicContact CB-CD1 4.42Å; L92-L96 HydrophobicContact CD2-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.93Å; L96-Y101 HydrophobicContact CB-CD2 3.64Å; L96-Y101 HydrophobicContact CB-CE2 4.32Å; L96-Y101 HydrophobicContact CB-CG 4.04Å; L96-Y101 HydrophobicContact CD2-CD2 3.88Å; L96-Y101 HydrophobicContact CD2-CE2 3.66Å; L96-Y101 HydrophobicContact CG-CD2 4.34Å
97T83Confident90.2Very high62 Ų6271.2 Ų71.238%0.3835%0.354SS..  trans-69.9154.4-169.662.70000113.6T95 E99 K100 Y101T95-T97 PolarHBondContact O-N 3.26Å; T95-T97 VanDerWaalsContact O-N 3.13Å; T97-E99 PolarHBondContact O-N 2.84Å; T97-K100 PolarHBondContact O-N 3.37Å; T97-K100 VanDerWaalsContact O-N 3.17Å; T97-Y101 PolarHBondContact O-N 2.88Å
98P78.6Confident90Very high95 Ų9566.5 Ų66.562%0.61733%0.334SS*.THydrogen-bonded Turntrans-55.2-19.8178.7-29.237.5000116.6K100 Y101 K103P98-K100 VanDerWaalsContact C-N 3.3Å; P98-K100 PolarHBondContact O-N 2.8Å; P98-Y101 WeakPolarHBondContact CA-O 3.35Å; P98-K103 HydrophobicContact CG-CB 4.41Å
99E82.7Confident89.8Confident194 Ų19476.6 Ų76.691%0.90737%0.372SS*.THydrogen-bonded Turntrans-67.8-32179.6-67.3-174.2172.200112.3T97T97-E99 PolarHBondContact O-N 2.84Å
100K83.9Confident89.5Confident108 Ų10881.7 Ų81.747%0.4740%0.396SS..THydrogen-bonded Turntrans-118.4-25.8-178.2-170169.8176.3173.40113.2D13 T97 P98D13-K100 WeakPolarHBondContact OD1-CE 3.21Å; D13-K100 IonicContact OD1-NZ 2.69Å; D13-K100 PolarHBondContact OD1-NZ 3.3Å; T97-K100 PolarHBondContact O-N 3.37Å; T97-K100 VanDerWaalsContact O-N 3.17Å; P98-K100 VanDerWaalsContact C-N 3.3Å; P98-K100 PolarHBondContact O-N 2.8Å
101Y89.6Confident89.4Confident29 Ų2976.1 Ų76.111%0.11437%0.37CS..SBendtrans-134146.5-173.4-53.2-70.3000111.6K45 V47 L96 T97 P98K45-Y101 VanDerWaalsContact O-CD1 3.26Å; K45-Y101 WeakPolarHBondContact O-CD1 3.31Å; V47-Y101 HydrophobicContact CB-CE1 4.44Å; V47-Y101 HydrophobicContact CG1-CD1 3.7Å; V47-Y101 HydrophobicContact CG1-CE1 3.33Å; V47-Y101 HydrophobicContact CG1-CE2 4.33Å; V47-Y101 HydrophobicContact CG1-CG 4.34Å; L96-Y101 HydrophobicContact CB-CD2 3.64Å; L96-Y101 HydrophobicContact CB-CE2 4.32Å; L96-Y101 HydrophobicContact CB-CG 4.04Å; L96-Y101 HydrophobicContact CD2-CD2 3.88Å; L96-Y101 HydrophobicContact CD2-CE2 3.66Å; L96-Y101 HydrophobicContact CG-CD2 4.34Å; T97-Y101 PolarHBondContact O-N 2.88Å; P98-Y101 WeakPolarHBondContact CA-O 3.35Å
102P91.7Very high89.1Confident66 Ų6677.2 Ų77.243%0.42938%0.378SS..  trans-63.4146.2-179.226.7-34.4000112.1L44 K45 L104L44-P102 WeakPolarHBondContact O-CG 3.27Å; K45-P102 WeakPolarHBondContact CD-O 3.32Å; K45-P102 WeakPolarHBondContact CE-O 3.45Å; K45-P102 PolarHBondContact NZ-O 2.91Å; K45-P102 WeakPolarHBondContact O-CD 3.45Å; P102-L104 HydrophobicContact CG-CD2 4.42Å
103K92.4Very high89Confident146 Ų14680.8 Ų80.864%0.63540%0.4SS*.  trans-77.3126170.6-170.8179.7178.2173.50109.1E93 P98E93-K103 WeakPolarHBondContact OE1-CG 3.12Å; P98-K103 HydrophobicContact CG-CB 4.41Å
104L93.3Very high88.9Confident10 Ų1080 Ų805%0.05240%0.399CS..  trans-107.2-11.7-176.9-59.5-177.5000113I41 L44 K45 E93 P102 A106 T182 L183I41-L104 HydrophobicContact CG2-CD1 4.29Å; L44-L104 HydrophobicContact CB-CD1 3.63Å; L44-L104 HydrophobicContact CB-CD2 3.88Å; L44-L104 HydrophobicContact CB-CG 4.43Å; L44-L104 HydrophobicContact CD1-CD1 4.45Å; K45-L104 HydrophobicContact CD-CD1 4.08Å; K45-L104 HydrophobicContact CD-CG 4.28Å; K45-L104 HydrophobicContact CG-CD1 3.83Å; E93-L104 PolarHBondContact OE1-N 3.04Å; E93-L104 PolarHBondContact OE2-N 3.33Å; P102-L104 HydrophobicContact CG-CD2 4.42Å; L104-A106 PolarHBondContact O-N 2.91Å; L104-T182 CarbonylContact O-C 3.58Å; L104-T182 VanDerWaalsContact O-CA 3.27Å; L104-T182 WeakPolarHBondContact O-CA 3.49Å; L104-T182 VanDerWaalsContact O-CB 3.31Å; L104-T182 WeakPolarHBondContact O-CB 3.39Å; L104-L183 HydrophobicContact CB-CD2 3.83Å; L104-L183 HydrophobicContact CB-CG 3.86Å; L104-L183 HydrophobicContact CD1-CD2 4.37Å; L104-L183 PolarHBondContact O-N 3.34Å
105A92.1Very high88.7Confident36 Ų3673.2 Ų73.230%0.29837%0.369SS..SBendtrans-59.7129.6177.200000111.5E93 L183E93-A105 HydrophobicContact CG-CB 4.37Å; E93-A105 WeakPolarHBondContact OE1-CB 3.28Å; E93-A105 PolarHBondContact OE1-N 3.45Å; A105-L183 HydrophobicContact CB-CD1 4.38Å
106A91.3Very high88.7Confident16 Ų1675.3 Ų75.313%0.13238%0.377CS..  trans-61.9141.417600000111.2L104 N112 D177 T182 A184L104-A106 PolarHBondContact O-N 2.91Å; A106-N112 WeakPolarHBondContact CB-OD1 3.4Å; A106-D177 WeakPolarHBondContact CA-OD2 3.5Å; A106-D177 HydrophobicContact CB-CB 4.15Å; A106-T182 HydrophobicContact CB-CG2 4.42Å; A106-A184 HydrophobicContact CB-CB 4.49Å
107K90Very high88.8Confident171 Ų17177.9 Ų77.974%0.74339%0.391SS*.SBendtrans-71.3-42.6175.1-60.2176.8-1751710110.6D177K107-D177 WeakPolarHBondContact CB-OD2 3.39Å; K107-D177 PolarHBondContact N-OD2 2.98Å
108H89Confident89.2Confident35 Ų3575 Ų7516%0.16237%0.373CS..  trans-92.1127.3179.8-53.786.9000111.2E110 S111 E158 D177H108-E110 PolarHBondContact O-N 3.25Å; H108-S111 WeakPolarHBondContact O-CB 3.49Å; H108-S111 PolarHBondContact O-N 2.98Å; H108-E158 VanDerWaalsContact CE1-CD 3.42Å; H108-E158 IonicContact CE1-OE1 3.11Å; H108-E158 PolarHBondContact CE1-OE1 2.95Å; H108-E158 IonicContact CE1-OE2 3.04Å; H108-E158 PolarHBondContact CE1-OE2 3.5Å; H108-E158 IonicContact NE2-OE1 3.2Å; H108-E158 PolarHBondContact NE2-OE1 3.17Å; H108-E158 IonicContact NE2-OE2 3.21Å; H108-E158 PolarHBondContact NE2-OE2 2.94Å; H108-D177 VanDerWaalsContact CB-OD1 3.26Å; H108-D177 WeakPolarHBondContact CB-OD1 3.48Å; H108-D177 IonicContact CE1-OD1 3.98Å; H108-D177 IonicContact CG-OD1 3.38Å; H108-D177 PolarHBondContact N-OD1 2.63Å; H108-D177 IonicContact ND1-OD1 2.77Å; H108-D177 PolarHBondContact ND1-OD1 3.29Å
109R88.6Confident89.7Confident212 Ų21272.7 Ų72.780%0.835%0.353SS*.Hα-helixtrans-61.4-29.4173.8-172.4176.3173.5-175.9-1.1112.1S111 N112R109-S111 VanDerWaalsContact C-N 3.34Å; R109-N112 PolarHBondContact O-N 2.85Å
110E89.5Confident90.2Very high131 Ų13166.8 Ų66.861%0.61233%0.334SS*.Hα-helixtrans-63-39.7177.4-65-170.9170.700111.9H108 N112 T113 A114 Y151H108-E110 PolarHBondContact O-N 3.25Å; E110-N112 VanDerWaalsContact C-N 3.26Å; E110-N112 PolarHBondContact O-N 3.09Å; E110-T113 CarbonylContact O-C 3.59Å; E110-T113 PolarHBondContact O-N 2.92Å; E110-T113 PolarHBondContact O-OG1 3.39Å; E110-A114 PolarHBondContact O-N 3.3Å; E110-Y151 HydrophobicContact CB-CE2 3.82Å
111S91.3Very high90.5Very high1 Ų164.4 Ų64.41%0.00732%0.323CS..Hα-helixtrans-54.3-41.9176.2-550000111.9H108 R109 T113 A114 Y151 D177 A184H108-S111 WeakPolarHBondContact O-CB 3.49Å; H108-S111 PolarHBondContact O-N 2.98Å; R109-S111 VanDerWaalsContact C-N 3.34Å; S111-T113 VanDerWaalsContact C-N 3.26Å; S111-T113 PolarHBondContact O-N 3.24Å; S111-A114 PolarHBondContact O-N 3.08Å; S111-Y151 WeakPolarHBondContact CA-OH 3.42Å; S111-Y151 PolarHBondContact N-OH 2.84Å; S111-Y151 PolarHBondContact OG-OH 3.44Å; S111-D177 PolarHBondContact OG-OD1 3Å; S111-A184 WeakPolarHBondContact O-CB 3.49Å
112N88.4Confident90.6Very high69 Ų6963.5 Ų63.537%0.36932%0.32SS..Hα-helixtrans-68.3-23.6178.9-65.5-38.6000113.6A106 R109 E110A106-N112 WeakPolarHBondContact CB-OD1 3.4Å; R109-N112 PolarHBondContact O-N 2.85Å; E110-N112 VanDerWaalsContact C-N 3.26Å; E110-N112 PolarHBondContact O-N 3.09Å
113T89.8Confident90.5Very high76 Ų7661.7 Ų61.747%0.46631%0.309SS..Hα-helixtrans-101.9-15.1-178.566.70000113.3E110 S111 G115 I116E110-T113 CarbonylContact O-C 3.59Å; E110-T113 PolarHBondContact O-N 2.92Å; E110-T113 PolarHBondContact O-OG1 3.39Å; S111-T113 VanDerWaalsContact C-N 3.26Å; S111-T113 PolarHBondContact O-N 3.24Å; T113-G115 PolarHBondContact O-N 3.16Å; T113-I116 VanDerWaalsContact O-CG2 3.32Å; T113-I116 WeakPolarHBondContact O-CG2 3.23Å; T113-I116 PolarHBondContact O-N 3.19Å
114A90.8Very high90.4Very high15 Ų1557 Ų5712%0.12430%0.298CS..THydrogen-bonded Turntrans-62.5122.2179.300000110.3E110 S111 I116 L148 Y151 L176E110-A114 PolarHBondContact O-N 3.3Å; S111-A114 PolarHBondContact O-N 3.08Å; A114-I116 PolarHBondContact O-N 2.84Å; A114-L148 HydrophobicContact CB-CD1 4.12Å; A114-Y151 HydrophobicContact CB-CD1 3.53Å; A114-Y151 HydrophobicContact CB-CE1 3.72Å; A114-Y151 HydrophobicContact CB-CG 4.08Å; A114-L176 HydrophobicContact CB-CD2 4.02Å
115G88Confident90.2Very high8 Ų858.8 Ų58.88%0.08230%0.304CS..THydrogen-bonded Turntrans70.56.7177.300000116.4T113 D117 I118 L188T113-G115 PolarHBondContact O-N 3.16Å; G115-D117 PolarHBondContact O-N 3.17Å; G115-D117 VanDerWaalsContact O-N 3.08Å; G115-I118 VanDerWaalsContact CA-CD1 3.46Å; G115-I118 WeakPolarHBondContact O-CB 3.4Å; G115-I118 WeakPolarHBondContact O-CG1 3.41Å; G115-I118 PolarHBondContact O-N 3.25Å; G115-I118 VanDerWaalsContact O-N 3.09Å; G115-L188 WeakPolarHBondContact O-CD1 3.43Å
116I89.3Confident90Very high99 Ų9961.3 Ų61.351%0.50831%0.312SS..THydrogen-bonded Turntrans-58-27.6-178.3-163.2169.5000113.3T113 A114T113-I116 VanDerWaalsContact O-CG2 3.32Å; T113-I116 WeakPolarHBondContact O-CG2 3.23Å; T113-I116 PolarHBondContact O-N 3.19Å; A114-I116 PolarHBondContact O-N 2.84Å
117D91.2Very high89.9Confident57 Ų5768.4 Ų68.431%0.30534%0.339SS..THydrogen-bonded Turntrans-99.14.3-175.768.1-5.9000113.8G115 S120 K121G115-D117 PolarHBondContact O-N 3.17Å; G115-D117 VanDerWaalsContact O-N 3.08Å; D117-S120 PolarHBondContact O-OG 3.44Å; D117-S120 VanDerWaalsContact O-OG 3.1Å; D117-K121 WeakPolarHBondContact O-CG 3.32Å; D117-K121 PolarHBondContact O-N 3.04Å; D117-K121 PolarHBondContact O-NZ 3.29Å; D117-K121 VanDerWaalsContact O-NZ 3.13Å; D117-K121 IonicContact OD1-NZ 3.29Å; D117-K121 PolarHBondContact OD1-NZ 3.35Å; D117-K121 IonicContact OD2-NZ 3.03Å; D117-K121 PolarHBondContact OD2-NZ 3.4Å
118I92.1Very high89.8Confident1 Ų162 Ų621%0.00531%0.313CS..Hα-helixtrans-69.1-49.1177.4-68.7168.3000109.9G115 S120 K121 F122 L141 A144 L145 L148 L192 V195G115-I118 VanDerWaalsContact CA-CD1 3.46Å; G115-I118 WeakPolarHBondContact O-CB 3.4Å; G115-I118 WeakPolarHBondContact O-CG1 3.41Å; G115-I118 PolarHBondContact O-N 3.25Å; G115-I118 VanDerWaalsContact O-N 3.09Å; I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 3.18Å; I118-K121 PolarHBondContact O-N 3.38Å; I118-F122 VanDerWaalsContact O-CB 3.31Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 PolarHBondContact O-N 3.38Å; I118-L141 HydrophobicContact CG2-CD1 4.03Å; I118-A144 HydrophobicContact CG1-CB 3.85Å; I118-L145 HydrophobicContact CD1-CD2 4.15Å; I118-L145 HydrophobicContact CG2-CD2 4.08Å; I118-L148 HydrophobicContact CD1-CB 3.93Å; I118-L148 HydrophobicContact CD1-CD2 3.54Å; I118-L148 HydrophobicContact CD1-CG 4.34Å; I118-L192 HydrophobicContact CD1-CD2 4.07Å; I118-L192 HydrophobicContact CG2-CD2 4.06Å; I118-V195 HydrophobicContact CG2-CG2 4.47Å
119F89.2Confident89.6Confident46 Ų4666.6 Ų66.620%0.20234%0.344CS..Hα-helixtrans-66.4-34.6-174-167-102.3000112.9P33 F122 S123 K191 V194 V195P33-F119 HydrophobicContact CG-CZ 4.23Å; F119-F122 HydrophobicContact CD2-CD1 4.4Å; F119-F122 HydrophobicContact CE2-CD1 4.44Å; F119-S123 VanDerWaalsContact O-CB 3.27Å; F119-S123 WeakPolarHBondContact O-CB 3.15Å; F119-S123 PolarHBondContact O-N 2.84Å; F119-S123 PolarHBondContact O-OG 3.39Å; F119-K191 HydrophobicContact CB-CB 4.12Å; F119-K191 HydrophobicContact CB-CD 3.89Å; F119-K191 HydrophobicContact CB-CG 4.23Å; F119-K191 HydrophobicContact CD2-CB 3.63Å; F119-K191 HydrophobicContact CD2-CD 4.45Å; F119-K191 HydrophobicContact CD2-CG 3.88Å; F119-K191 HydrophobicContact CE2-CB 4.32Å; F119-K191 HydrophobicContact CE2-CG 4.38Å; F119-K191 HydrophobicContact CG-CB 4.06Å; F119-K191 HydrophobicContact CG-CD 4.07Å; F119-K191 HydrophobicContact CG-CG 3.97Å; F119-V194 HydrophobicContact CE2-CB 4.27Å; F119-V194 HydrophobicContact CE2-CG1 4.08Å; F119-V195 HydrophobicContact CD2-CG2 4.43Å
120S91.9Very high89.5Confident71 Ų7162.2 Ų62.250%0.49733%0.331SS..Hα-helixtrans-68.4-42.6175.560.20000111.7D117 I118 S123 A124D117-S120 PolarHBondContact O-OG 3.44Å; D117-S120 VanDerWaalsContact O-OG 3.1Å; I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 3.18Å; S120-S123 PolarHBondContact O-N 2.87Å; S120-A124 PolarHBondContact O-N 3.5Å
121K91.9Very high89.1Confident57 Ų5764.1 Ų64.125%0.24834%0.34CS..Hα-helixtrans-66.1-42.2174.7-69.5-169.8-159.273.30112.4D117 I118 A124 Y125 G140 L141 A144D117-K121 WeakPolarHBondContact O-CG 3.32Å; D117-K121 PolarHBondContact O-N 3.04Å; D117-K121 PolarHBondContact O-NZ 3.29Å; D117-K121 VanDerWaalsContact O-NZ 3.13Å; D117-K121 IonicContact OD1-NZ 3.29Å; D117-K121 PolarHBondContact OD1-NZ 3.35Å; D117-K121 IonicContact OD2-NZ 3.03Å; D117-K121 PolarHBondContact OD2-NZ 3.4Å; I118-K121 PolarHBondContact O-N 3.38Å; K121-A124 PolarHBondContact O-N 2.91Å; K121-Y125 WeakPolarHBondContact O-CB 3.45Å; K121-Y125 PolarHBondContact O-N 2.69Å; K121-G140 VanDerWaalsContact CD-C 3.45Å; K121-G140 WeakPolarHBondContact CD-O 3.26Å; K121-L141 HydrophobicContact CB-CD1 4.42Å; K121-A144 HydrophobicContact CD-CB 3.93Å
122F91.1Very high88.8Confident10 Ų1071.6 Ų71.64%0.04438%0.375CS..Hα-helixtrans-59.8-46.2173.8169-103000111.5I118 F119 A124 Y125 I126 L141 V194 V195 S198 F199I118-F122 VanDerWaalsContact O-CB 3.31Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 PolarHBondContact O-N 3.38Å; F119-F122 HydrophobicContact CD2-CD1 4.4Å; F119-F122 HydrophobicContact CE2-CD1 4.44Å; F122-A124 VanDerWaalsContact C-N 3.3Å; F122-A124 PolarHBondContact O-N 2.95Å; F122-Y125 WeakPolarHBondContact O-CB 3.34Å; F122-Y125 PolarHBondContact O-N 3.43Å; F122-Y125 VanDerWaalsContact O-N 3.12Å; F122-I126 HydrophobicContact CD2-CG1 3.99Å; F122-I126 HydrophobicContact CE1-CG1 4.21Å; F122-I126 HydrophobicContact CE2-CD1 3.98Å; F122-I126 HydrophobicContact CE2-CG1 3.34Å; F122-I126 HydrophobicContact CZ-CB 4.48Å; F122-I126 HydrophobicContact CZ-CD1 4.3Å; F122-I126 HydrophobicContact CZ-CG1 3.45Å; F122-I126 VanDerWaalsContact CZ-CG1 3.45Å; F122-I126 PolarHBondContact O-N 3.27Å; F122-L141 HydrophobicContact CB-CD1 3.95Å; F122-L141 HydrophobicContact CB-CD2 4.39Å; F122-L141 HydrophobicContact CD2-CD2 4.18Å; F122-V194 HydrophobicContact CE1-CG1 4.39Å; F122-V195 HydrophobicContact CB-CG2 3.9Å; F122-V195 HydrophobicContact CD1-CG2 3.65Å; F122-V195 HydrophobicContact CD2-CB 4.18Å; F122-V195 HydrophobicContact CD2-CG1 3.7Å; F122-V195 HydrophobicContact CD2-CG2 3.93Å; F122-V195 HydrophobicContact CE1-CG2 4.16Å; F122-V195 HydrophobicContact CE2-CB 4.34Å; F122-V195 HydrophobicContact CE2-CG1 4.03Å; F122-V195 HydrophobicContact CE2-CG2 4.4Å; F122-V195 HydrophobicContact CG-CB 4.27Å; F122-V195 HydrophobicContact CG-CG1 4.15Å; F122-V195 HydrophobicContact CG-CG2 3.52Å; F122-S198 VanDerWaalsContact CZ-CB 3.42Å; F122-S198 WeakPolarHBondContact CZ-OG 3.49Å; F122-F199 AromaticContact CD2-CE2 3.79Å; F122-F199 HydrophobicContact CD2-CE2 3.79Å; F122-F199 HydrophobicContact CD2-CZ 4.24Å; F122-F199 HydrophobicContact CE2-CD2 4.29Å; F122-F199 AromaticContact CE2-CE2 3.62Å; F122-F199 HydrophobicContact CE2-CE2 3.62Å; F122-F199 HydrophobicContact CE2-CZ 4.13Å
123S89.5Confident88.7Confident29 Ų2971.6 Ų71.620%0.20338%0.375CS..Hα-helixtrans-59.9-40.5176-660000112.1F119 S120 K127F119-S123 VanDerWaalsContact O-CB 3.27Å; F119-S123 WeakPolarHBondContact O-CB 3.15Å; F119-S123 PolarHBondContact O-N 2.84Å; F119-S123 PolarHBondContact O-OG 3.39Å; S120-S123 PolarHBondContact O-N 2.87Å; S123-K127 VanDerWaalsContact O-CB 3.28Å; S123-K127 WeakPolarHBondContact O-CB 3.45Å; S123-K127 VanDerWaalsContact O-CG 3.24Å; S123-K127 WeakPolarHBondContact O-CG 3.38Å; S123-K127 PolarHBondContact O-N 3.26Å
124A90.7Very high88.5Confident48 Ų4870.7 Ų70.740%0.39737%0.367SS..Hα-helixtrans-66.2-38.2175.800000112S120 K121 F122 N128 L137S120-A124 PolarHBondContact O-N 3.5Å; K121-A124 PolarHBondContact O-N 2.91Å; F122-A124 VanDerWaalsContact C-N 3.3Å; F122-A124 PolarHBondContact O-N 2.95Å; A124-N128 WeakPolarHBondContact O-CB 3.19Å; A124-N128 PolarHBondContact O-N 2.87Å; A124-L137 HydrophobicContact CB-CD2 4.11Å
125Y89.1Confident88.4Confident47 Ų4772.2 Ų72.218%0.18438%0.38CS..Hα-helixtrans-66.2-54.2177.6178.1-101.8000112.4K121 F122 K127 N128 L137 E138 F199K121-Y125 WeakPolarHBondContact O-CB 3.45Å; K121-Y125 PolarHBondContact O-N 2.69Å; F122-Y125 WeakPolarHBondContact O-CB 3.34Å; F122-Y125 PolarHBondContact O-N 3.43Å; F122-Y125 VanDerWaalsContact O-N 3.12Å; Y125-K127 VanDerWaalsContact C-N 3.34Å; Y125-K127 PolarHBondContact O-N 2.9Å; Y125-N128 WeakPolarHBondContact O-CB 3.08Å; Y125-N128 PolarHBondContact O-N 2.75Å; Y125-N128 VanDerWaalsContact O-N 3.15Å; Y125-L137 HydrophobicContact CD2-CB 3.86Å; Y125-E138 HydrophobicContact CD2-CB 4.2Å; Y125-E138 HydrophobicContact CE2-CB 3.72Å; Y125-E138 HydrophobicContact CE2-CG 4.24Å; Y125-F199 HydrophobicContact CD1-CE1 4.39Å; Y125-F199 HydrophobicContact CD1-CZ 4.02Å; Y125-F199 AromaticContact CE1-CE1 3.74Å; Y125-F199 HydrophobicContact CE1-CE1 3.74Å; Y125-F199 AromaticContact CE1-CZ 3.82Å; Y125-F199 HydrophobicContact CE1-CZ 3.82Å
126I88.3Confident88.6Confident89 Ų8974.4 Ų74.446%0.45640%0.397SS..Hα-helixtrans-66.3-34.3-177.4-70.8-62.1000112.8F122 N128F122-I126 HydrophobicContact CD2-CG1 3.99Å; F122-I126 HydrophobicContact CE1-CG1 4.21Å; F122-I126 HydrophobicContact CE2-CD1 3.98Å; F122-I126 HydrophobicContact CE2-CG1 3.34Å; F122-I126 HydrophobicContact CZ-CB 4.48Å; F122-I126 HydrophobicContact CZ-CD1 4.3Å; F122-I126 HydrophobicContact CZ-CG1 3.45Å; F122-I126 VanDerWaalsContact CZ-CG1 3.45Å; F122-I126 PolarHBondContact O-N 3.27Å; I126-N128 VanDerWaalsContact C-N 3.26Å; I126-N128 PolarHBondContact O-N 3.07Å
127K88.4Confident88.6Confident164 Ų16472 Ų7271%0.71338%0.384SS*.THydrogen-bonded Turntrans-80.8-6.2177.9-65.2177.2-177.4179.80113.2S123 Y125 T129S123-K127 VanDerWaalsContact O-CB 3.28Å; S123-K127 WeakPolarHBondContact O-CB 3.45Å; S123-K127 VanDerWaalsContact O-CG 3.24Å; S123-K127 WeakPolarHBondContact O-CG 3.38Å; S123-K127 PolarHBondContact O-N 3.26Å; Y125-K127 VanDerWaalsContact C-N 3.34Å; Y125-K127 PolarHBondContact O-N 2.9Å; K127-T129 PolarHBondContact O-N 3.23Å
128N87.6Confident88.6Confident36 Ų3673.9 Ų73.919%0.19339%0.392CS..  trans-73.5126.8-176.9-177.145.6000111.3A124 Y125 I126 K130 N134 L137A124-N128 WeakPolarHBondContact O-CB 3.19Å; A124-N128 PolarHBondContact O-N 2.87Å; Y125-N128 WeakPolarHBondContact O-CB 3.08Å; Y125-N128 PolarHBondContact O-N 2.75Å; Y125-N128 VanDerWaalsContact O-N 3.15Å; I126-N128 VanDerWaalsContact C-N 3.26Å; I126-N128 PolarHBondContact O-N 3.07Å; N128-K130 PolarHBondContact ND2-O 3.5Å; N128-K130 PolarHBondContact OD1-N 2.82Å; N128-N134 PolarHBondContact ND2-OD1 3.14Å; N128-L137 HydrophobicContact CB-CD1 3.51Å
129T85.3Confident88.5Confident132 Ų13281.8 Ų81.881%0.8142%0.421SS*.  trans-101.7-7.6176.9550000112.8K127K127-T129 PolarHBondContact O-N 3.23Å
130K87.1Confident88.7Confident121 Ų12180.7 Ų80.753%0.52642%0.423SS..  trans-100.9104.8-175.2-65-178.8-178.3-1800111.4N128 Q132 N133N128-K130 PolarHBondContact ND2-O 3.5Å; N128-K130 PolarHBondContact OD1-N 2.82Å; K130-Q132 HydrophobicContact CB-CG 4.33Å; K130-Q132 PolarHBondContact O-N 2.74Å; K130-Q132 VanDerWaalsContact O-N 3.11Å; K130-N133 PolarHBondContact O-N 3.36Å
131Q80.9Confident88.6Confident171 Ų17177.6 Ų77.680%0.79940%0.401SS*.Hα-helixtrans-52.5-37-177.8-71.7-178.2-5.200114.1N133 N134Q131-N133 PolarHBondContact O-N 2.83Å; Q131-N133 VanDerWaalsContact O-N 3.14Å; Q131-N134 WeakPolarHBondContact O-CB 3.24Å; Q131-N134 PolarHBondContact O-N 2.95Å; Q131-N134 VanDerWaalsContact O-N 3.08Å
132Q83.9Confident88.7Confident158 Ų15878.7 Ų78.774%0.73841%0.413SS*.Hα-helixtrans-58.6-25.9177.566.1-171.26.100114.3K130K130-Q132 HydrophobicContact CB-CG 4.33Å; K130-Q132 PolarHBondContact O-N 2.74Å; K130-Q132 VanDerWaalsContact O-N 3.11Å
133N86.1Confident88.8Confident69 Ų6986.1 Ų86.137%0.36945%0.445SS..Hα-helixtrans-93.1-12.5-179.8-68.4-12.3000112.9K130 Q131 A135 A136 L137K130-N133 PolarHBondContact O-N 3.36Å; Q131-N133 PolarHBondContact O-N 2.83Å; Q131-N133 VanDerWaalsContact O-N 3.14Å; N133-A135 PolarHBondContact O-N 3.08Å; N133-A136 PolarHBondContact O-N 3.27Å; N133-L137 HydrophobicContact CB-CD1 4.26Å; N133-L137 WeakPolarHBondContact O-CG 3.2Å; N133-L137 PolarHBondContact O-N 3.01Å
134N86.7Confident89Confident56 Ų5685 Ų8530%0.29944%0.437SS..Hα-helixtrans-56.7-50.3-174.8-79.34.1000111.4N128 Q131 A136 L137 E138N128-N134 PolarHBondContact ND2-OD1 3.14Å; Q131-N134 WeakPolarHBondContact O-CB 3.24Å; Q131-N134 PolarHBondContact O-N 2.95Å; Q131-N134 VanDerWaalsContact O-N 3.08Å; N134-A136 VanDerWaalsContact C-N 3.26Å; N134-A136 PolarHBondContact O-N 3.29Å; N134-L137 PolarHBondContact O-N 3.36Å; N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 PolarHBondContact O-N 3.01Å
135A88.8Confident89Confident48 Ų4885.9 Ų85.940%0.39744%0.435SS..Hα-helixtrans-60.8-34.8-177.900000112.8N133 R139N133-A135 PolarHBondContact O-N 3.08Å; A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.49Å; A135-R139 PolarHBondContact O-N 3.4Å; A135-R139 PolarHBondContact O-NE 3.1Å
136A90.9Very high89.2Confident53 Ų5389.8 Ų89.844%0.43845%0.453SS..Hα-helixtrans-73.1-41.9177.500000111.9N133 N134 G140N133-A136 PolarHBondContact O-N 3.27Å; N134-A136 VanDerWaalsContact C-N 3.26Å; N134-A136 PolarHBondContact O-N 3.29Å; A136-G140 PolarHBondContact O-N 2.72Å
137L90.5Very high89.5Confident48 Ų4892.4 Ų92.425%0.25146%0.461SS..Hα-helixtrans-68.5-41.9179.2-69.4171000112A124 Y125 N128 N133 N134 G140 L141A124-L137 HydrophobicContact CB-CD2 4.11Å; Y125-L137 HydrophobicContact CD2-CB 3.86Å; N128-L137 HydrophobicContact CB-CD1 3.51Å; N133-L137 HydrophobicContact CB-CD1 4.26Å; N133-L137 WeakPolarHBondContact O-CG 3.2Å; N133-L137 PolarHBondContact O-N 3.01Å; N134-L137 PolarHBondContact O-N 3.36Å; L137-G140 WeakPolarHBondContact O-CA 3.43Å; L137-G140 PolarHBondContact O-N 3.47Å; L137-G140 VanDerWaalsContact O-N 3.16Å; L137-L141 PolarHBondContact O-N 2.89Å
138E89.8Confident89.7Confident98 Ų9885.2 Ų85.246%0.45843%0.43SS..Hα-helixtrans-60.4-49.9174.7-169.2179.9158.300110.9Y125 N134 G140 L141 T142Y125-E138 HydrophobicContact CD2-CB 4.2Å; Y125-E138 HydrophobicContact CE2-CB 3.72Å; Y125-E138 HydrophobicContact CE2-CG 4.24Å; N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 PolarHBondContact O-N 3.01Å; E138-G140 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 3.28Å; E138-L141 VanDerWaalsContact O-N 3.09Å; E138-T142 PolarHBondContact O-N 3.49Å; E138-T142 PolarHBondContact O-OG1 3.47Å; E138-T142 VanDerWaalsContact O-OG1 3.08Å
139R91.8Very high89.9Confident166 Ų16687.7 Ų87.763%0.62644%0.443SS*.Hα-helixtrans-56.6-38.7173.8-76.8-172.3-58.2-108.94.4112.3A135 K143A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.49Å; A135-R139 PolarHBondContact O-N 3.4Å; A135-R139 PolarHBondContact O-NE 3.1Å; R139-K143 VanDerWaalsContact O-CB 3.26Å; R139-K143 WeakPolarHBondContact O-CB 3.33Å; R139-K143 PolarHBondContact O-N 2.92Å
140G91.6Very high90.3Very high23 Ų2385.2 Ų85.224%0.23743%0.425CS..Hα-helixtrans-62.3-46175.700000112.5K121 A136 L137 E138 K143 A144K121-G140 VanDerWaalsContact CD-C 3.45Å; K121-G140 WeakPolarHBondContact CD-O 3.26Å; A136-G140 PolarHBondContact O-N 2.72Å; L137-G140 WeakPolarHBondContact O-CA 3.43Å; L137-G140 PolarHBondContact O-N 3.47Å; L137-G140 VanDerWaalsContact O-N 3.16Å; E138-G140 PolarHBondContact O-N 3.39Å; G140-K143 PolarHBondContact O-N 2.91Å; G140-A144 PolarHBondContact O-N 3.26Å; G140-A144 VanDerWaalsContact O-N 3.13Å
141L91.6Very high90.5Very high6 Ų680.8 Ų80.83%0.03141%0.406CS..Hα-helixtrans-64.2-49.2176.8178.659.2000111.4I118 K121 F122 L137 E138 K143 A144 L145 F199I118-L141 HydrophobicContact CG2-CD1 4.03Å; K121-L141 HydrophobicContact CB-CD1 4.42Å; F122-L141 HydrophobicContact CB-CD1 3.95Å; F122-L141 HydrophobicContact CB-CD2 4.39Å; F122-L141 HydrophobicContact CD2-CD2 4.18Å; L137-L141 PolarHBondContact O-N 2.89Å; E138-L141 PolarHBondContact O-N 3.28Å; E138-L141 VanDerWaalsContact O-N 3.09Å; L141-K143 VanDerWaalsContact C-N 3.28Å; L141-K143 PolarHBondContact O-N 3.2Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 3.25Å; L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CG 4.38Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 PolarHBondContact O-N 3.18Å; L141-F199 HydrophobicContact CD2-CE2 4.1Å; L141-F199 HydrophobicContact CD2-CZ 3.93Å
142T92.4Very high90.9Very high81 Ų8175.7 Ų75.750%0.49738%0.383SS..Hα-helixtrans-59.4-39177.7-55.50000111.6E138 A144 L145 K146E138-T142 PolarHBondContact O-N 3.49Å; E138-T142 PolarHBondContact O-OG1 3.47Å; E138-T142 VanDerWaalsContact O-OG1 3.08Å; T142-A144 VanDerWaalsContact C-N 3.34Å; T142-A144 PolarHBondContact O-N 3.09Å; T142-L145 PolarHBondContact O-N 3.08Å; T142-K146 VanDerWaalsContact O-CB 3.3Å; T142-K146 WeakPolarHBondContact O-CB 3.48Å; T142-K146 PolarHBondContact O-N 3.29Å
143K93.8Very high91.2Very high166 Ų16672.2 Ų72.272%0.72237%0.37SS*.Hα-helixtrans-64.5-38175.1-172.7176.2-177.81790112.3R139 G140 L141 K147R139-K143 VanDerWaalsContact O-CB 3.26Å; R139-K143 WeakPolarHBondContact O-CB 3.33Å; R139-K143 PolarHBondContact O-N 2.92Å; G140-K143 PolarHBondContact O-N 2.91Å; L141-K143 VanDerWaalsContact C-N 3.28Å; L141-K143 PolarHBondContact O-N 3.2Å; K143-K147 PolarHBondContact O-N 2.91Å
144A92.9Very high91.3Very high4 Ų472.9 Ų72.93%0.03338%0.377CS..Hα-helixtrans-70.2-41.6177.300000112.1I118 K121 G140 L141 T142 K147 L148I118-A144 HydrophobicContact CG1-CB 3.85Å; K121-A144 HydrophobicContact CD-CB 3.93Å; G140-A144 PolarHBondContact O-N 3.26Å; G140-A144 VanDerWaalsContact O-N 3.13Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 3.25Å; T142-A144 VanDerWaalsContact C-N 3.34Å; T142-A144 PolarHBondContact O-N 3.09Å; A144-K147 PolarHBondContact O-N 3.32Å; A144-L148 PolarHBondContact O-N 2.77Å; A144-L148 VanDerWaalsContact O-N 3.13Å
145L92.4Very high91.2Very high67 Ų6772.5 Ų72.535%0.35138%0.377SS..Hα-helixtrans-62.1-44.8173.1-72.1168.1000111.2I118 L141 T142 K147 L148 D149 L192I118-L145 HydrophobicContact CD1-CD2 4.15Å; I118-L145 HydrophobicContact CG2-CD2 4.08Å; L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CG 4.38Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 PolarHBondContact O-N 3.18Å; T142-L145 PolarHBondContact O-N 3.08Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 3.36Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.1Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L145-D149 PolarHBondContact O-N 3.36Å; L145-L192 HydrophobicContact CD2-CD2 4.44Å
146K93Very high91.1Very high129 Ų12970.8 Ų70.856%0.56136%0.361SS*.Hα-helixtrans-59.9-41.9175.5-173.8174.8-180177.90111.8T142 L148 D149 D150T142-K146 VanDerWaalsContact O-CB 3.3Å; T142-K146 WeakPolarHBondContact O-CB 3.48Å; T142-K146 PolarHBondContact O-N 3.29Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 3.34Å; K146-D149 WeakPolarHBondContact O-CB 3.3Å; K146-D149 PolarHBondContact O-N 3.13Å; K146-D150 WeakPolarHBondContact O-CB 3.43Å; K146-D150 PolarHBondContact O-N 3.13Å
147K93.2Very high90.7Very high144 Ų14472.2 Ų72.263%0.62637%0.366SS*.Hα-helixtrans-60.9-37.9176-173.7-178.9177.7-172.50112.4K143 A144 L145 Y151K143-K147 PolarHBondContact O-N 2.91Å; A144-K147 PolarHBondContact O-N 3.32Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 3.36Å; K147-Y151 WeakPolarHBondContact O-CB 3.49Å; K147-Y151 PolarHBondContact O-N 3.32Å; K147-Y151 VanDerWaalsContact O-N 3.11Å
148L93.4Very high90.2Very high13 Ų1375.6 Ų75.67%0.06838%0.381CS..Hα-helixtrans-68.7-42.6174.4175.466000111.4A114 I118 A144 L145 K146 Y151 L152 L176 L188 L192A114-L148 HydrophobicContact CB-CD1 4.12Å; I118-L148 HydrophobicContact CD1-CB 3.93Å; I118-L148 HydrophobicContact CD1-CD2 3.54Å; I118-L148 HydrophobicContact CD1-CG 4.34Å; A144-L148 PolarHBondContact O-N 2.77Å; A144-L148 VanDerWaalsContact O-N 3.13Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.1Å; L145-L148 VanDerWaalsContact O-N 3.13Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 3.34Å; L148-Y151 WeakPolarHBondContact O-CB 3.25Å; L148-Y151 PolarHBondContact O-N 3.18Å; L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.34Å; L148-L152 HydrophobicContact CG-CD1 4.12Å; L148-L152 WeakPolarHBondContact O-CG 3.26Å; L148-L152 PolarHBondContact O-N 2.88Å; L148-L176 HydrophobicContact CD1-CD2 3.88Å; L148-L188 HydrophobicContact CD1-CD2 3.83Å; L148-L188 HydrophobicContact CD2-CD2 3.87Å; L148-L192 HydrophobicContact CD2-CD1 3.92Å; L148-L192 HydrophobicContact CD2-CD2 4.29Å
149D92.9Very high89.5Confident88 Ų8874.4 Ų74.447%0.47138%0.375SS..Hα-helixtrans-62-46.9176.2-175.468.6000111.8L145 K146 Y151 L152 N153L145-D149 PolarHBondContact O-N 3.36Å; K146-D149 WeakPolarHBondContact O-CB 3.3Å; K146-D149 PolarHBondContact O-N 3.13Å; D149-Y151 VanDerWaalsContact C-N 3.26Å; D149-Y151 PolarHBondContact O-N 3.41Å; D149-L152 PolarHBondContact O-N 3.48Å; D149-L152 VanDerWaalsContact O-N 3.17Å; D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 3.13Å; D149-N153 PolarHBondContact O-ND2 2.61Å; D149-N153 PolarHBondContact OD1-ND2 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.49Å
150D92.1Very high88.8Confident81 Ų8171.9 Ų71.943%0.43337%0.373SS..Hα-helixtrans-57.1-41.9174.2-65.6-24.5000110.4K146 N153 T154K146-D150 WeakPolarHBondContact O-CB 3.43Å; K146-D150 PolarHBondContact O-N 3.13Å; D150-N153 PolarHBondContact O-N 3.33Å; D150-T154 WeakPolarHBondContact O-CB 3.27Å; D150-T154 PolarHBondContact O-N 2.93Å; D150-T154 PolarHBondContact O-OG1 3.01Å
151Y91.7Very high87.7Confident28 Ų2875.4 Ų75.411%0.1139%0.386CS..Hα-helixtrans-64.5-44.6176.3178.8-105.9000112.6E110 S111 A114 K147 L148 D149 N153 T154 R173 L176E110-Y151 HydrophobicContact CB-CE2 3.82Å; S111-Y151 WeakPolarHBondContact CA-OH 3.42Å; S111-Y151 PolarHBondContact N-OH 2.84Å; S111-Y151 PolarHBondContact OG-OH 3.44Å; A114-Y151 HydrophobicContact CB-CD1 3.53Å; A114-Y151 HydrophobicContact CB-CE1 3.72Å; A114-Y151 HydrophobicContact CB-CG 4.08Å; K147-Y151 WeakPolarHBondContact O-CB 3.49Å; K147-Y151 PolarHBondContact O-N 3.32Å; K147-Y151 VanDerWaalsContact O-N 3.11Å; L148-Y151 WeakPolarHBondContact O-CB 3.25Å; L148-Y151 PolarHBondContact O-N 3.18Å; D149-Y151 VanDerWaalsContact C-N 3.26Å; D149-Y151 PolarHBondContact O-N 3.41Å; Y151-N153 VanDerWaalsContact C-N 3.32Å; Y151-N153 PolarHBondContact O-N 3.13Å; Y151-T154 PolarHBondContact O-N 3Å; Y151-R173 VanDerWaalsContact CD1-NH2 3.32Å; Y151-R173 PolarHBondContact O-NH1 2.81Å; Y151-R173 PolarHBondContact O-NH2 3.03Å; Y151-L176 HydrophobicContact CD1-CD2 4.19Å; Y151-L176 HydrophobicContact CE1-CD2 4.05Å
152L90.4Very high86.1Confident63 Ų6380 Ų8033%0.3343%0.425SS..Hα-helixtrans-67.2-31.9179-71.9171.5000112.4L148 D149 S171 L176L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.34Å; L148-L152 HydrophobicContact CG-CD1 4.12Å; L148-L152 WeakPolarHBondContact O-CG 3.26Å; L148-L152 PolarHBondContact O-N 2.88Å; D149-L152 PolarHBondContact O-N 3.48Å; D149-L152 VanDerWaalsContact O-N 3.17Å; L152-S171 VanDerWaalsContact O-CB 3.23Å; L152-S171 WeakPolarHBondContact O-CB 3.45Å; L152-L176 HydrophobicContact CD2-CD2 4.08Å
153N89.2Confident84.4Confident86 Ų8683.1 Ų83.146%0.4644%0.438SS..Hα-helixtrans-81.1-20.6177-73.2-58.5000113.3D149 D150 Y151 S171D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 3.13Å; D149-N153 PolarHBondContact O-ND2 2.61Å; D149-N153 PolarHBondContact OD1-ND2 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.49Å; D150-N153 PolarHBondContact O-N 3.33Å; Y151-N153 VanDerWaalsContact C-N 3.32Å; Y151-N153 PolarHBondContact O-N 3.13Å; N153-S171 PolarHBondContact O-N 3.44Å
154T88.3Confident82.6Confident83 Ų8378.9 Ų78.951%0.50943%0.427SS..SBendtrans-78.8122.4178.6-59.50000110.4D150 Y151 R173D150-T154 WeakPolarHBondContact O-CB 3.27Å; D150-T154 PolarHBondContact O-N 2.93Å; D150-T154 PolarHBondContact O-OG1 3.01Å; Y151-T154 PolarHBondContact O-N 3Å; T154-R173 PolarHBondContact O-NH1 2.7Å
155P85.5Confident80.6Confident48 Ų4885.2 Ų85.231%0.31247%0.469SS..PPolyproline II helixtrans-59.6140.9178.8-23.233.5000113E159 I160P155-E159 WeakPolarHBondContact CA-OE2 3.36Å; P155-E159 HydrophobicContact CB-CB 4.22Å; P155-I160 HydrophobicContact CB-CG1 4.16Å
156L85.3Confident78.5Confident11 Ų1184.1 Ų84.16%0.05847%0.474CS..PPolyproline II helixtrans-74.9156.8171.5-67.5176.8000110.9E158 E159 I160L156-E158 PolarHBondContact O-N 3.18Å; L156-E158 VanDerWaalsContact O-N 3.08Å; L156-E159 PolarHBondContact N-OE2 2.97Å; L156-E159 WeakPolarHBondContact O-CB 3.23Å; L156-E159 PolarHBondContact O-N 3.03Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 2.87Å
157P82.4Confident76.3Confident83 Ų8386.1 Ų86.154%0.53949%0.485SS..THydrogen-bonded Turntrans-51.3-33.2179.4-27.935.9000114.7E159 I160P157-E159 VanDerWaalsContact C-N 3.32Å; P157-I160 PolarHBondContact O-N 3.49Å
158E79.7Confident74.6Confident120 Ų12087.9 Ų87.956%0.56150%0.502SS*.THydrogen-bonded Turntrans-73.7-21.9178-5983.7173.300113.6H108 L156H108-E158 VanDerWaalsContact CE1-CD 3.42Å; H108-E158 IonicContact CE1-OE1 3.11Å; H108-E158 PolarHBondContact CE1-OE1 2.95Å; H108-E158 IonicContact CE1-OE2 3.04Å; H108-E158 PolarHBondContact CE1-OE2 3.5Å; H108-E158 IonicContact NE2-OE1 3.2Å; H108-E158 PolarHBondContact NE2-OE1 3.17Å; H108-E158 IonicContact NE2-OE2 3.21Å; H108-E158 PolarHBondContact NE2-OE2 2.94Å; L156-E158 PolarHBondContact O-N 3.18Å; L156-E158 VanDerWaalsContact O-N 3.08Å
159E76.9Confident73.1Confident72 Ų7292.7 Ų92.734%0.33652%0.522SS..THydrogen-bonded Turntrans-85.2-16.5175.1-61.4-178.3106.500111.9P155 L156 P157 D161 S171 R172 R173P155-E159 WeakPolarHBondContact CA-OE2 3.36Å; P155-E159 HydrophobicContact CB-CB 4.22Å; L156-E159 PolarHBondContact N-OE2 2.97Å; L156-E159 WeakPolarHBondContact O-CB 3.23Å; L156-E159 PolarHBondContact O-N 3.03Å; P157-E159 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 3.35Å; E159-D161 VanDerWaalsContact O-N 3.14Å; E159-S171 PolarHBondContact OE1-OG 3.13Å; E159-S171 PolarHBondContact OE2-OG 2.73Å; E159-R172 PolarHBondContact OE1-N 3.04Å; E159-R173 PolarHBondContact OE1-N 3.34Å
160I76.5Confident72Confident114 Ų11490.6 Ų90.659%0.58552%0.521SS*.  trans-82.393.5-179.4-58.2171.8000108.6P155 L156 P157 A162P155-I160 HydrophobicContact CB-CG1 4.16Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 2.87Å; P157-I160 PolarHBondContact O-N 3.49Å; I160-A162 PolarHBondContact O-N 2.7Å
161D67.3Low71.5Confident97 Ų9787.8 Ų87.852%0.51951%0.508SS..  trans-71.9118.7171.3-178.66.4000110.5E159 N163 T164E159-D161 PolarHBondContact O-N 3.35Å; E159-D161 VanDerWaalsContact O-N 3.14Å; D161-N163 PolarHBondContact O-N 2.94Å; D161-N163 PolarHBondContact OD1-N 3.02Å; D161-T164 PolarHBondContact O-N 3.3Å; D161-T164 VanDerWaalsContact O-N 3.13Å; D161-T164 PolarHBondContact OD2-OG1 2.81Å
162A58.7Low71.1Confident102 Ų10295.7 Ų95.784%0.84354%0.537SS*.THydrogen-bonded Turntrans-58.9-15.917800000114I160I160-A162 PolarHBondContact O-N 2.7Å
163N56.4Low71Confident146 Ų14693.8 Ų93.878%0.78153%0.526SS*.THydrogen-bonded Turntrans-100.4-6.1179.4-99.5-13000115D161 C165D161-N163 PolarHBondContact O-N 2.94Å; D161-N163 PolarHBondContact OD1-N 3.02Å; N163-C165 PolarHBondContact O-N 2.97Å
164T57.3Low71Confident78 Ų7897.1 Ų97.148%0.47954%0.536SS..  trans-90.281.9-179.1-56.50000110.5D161 G166D161-T164 PolarHBondContact O-N 3.3Å; D161-T164 VanDerWaalsContact O-N 3.13Å; D161-T164 PolarHBondContact OD2-OG1 2.81Å; T164-G166 PolarHBondContact O-N 2.96Å; T164-G166 VanDerWaalsContact O-N 3.11Å
165C49.4Very low71.2Confident137 Ų13796.1 Ų96.193%0.92653%0.525SS*.  trans-74.190.4164.8-75.80000109.9N163N163-C165 PolarHBondContact O-N 2.97Å
166G48.9Very low71.5Confident44 Ų4494.1 Ų94.145%0.45451%0.512SS..SBendtrans145.4124.1164.100000115.4T164T164-G166 PolarHBondContact O-N 2.96Å; T164-G166 VanDerWaalsContact O-N 3.11Å
167E47.6Very low71.8Confident170 Ų17094.3 Ų94.379%0.79451%0.512SS*.  trans78.3117.5168.6-56.2-174.5161.500116.3K169E167-K169 PolarHBondContact O-N 3.26Å
168D57Low72.2Confident181 Ų18191.2 Ų91.297%0.96850%0.496SS*.  trans-4981.5164.7-79-40.5000110.7G170D168-G170 PolarHBondContact O-N 3.43Å
169K62.7Low72.7Confident115 Ų11590.2 Ų90.250%0.550%0.495SS..  trans-82.8104.8166.3-71.1170.4-174.1164.70104.9E167E167-K169 PolarHBondContact O-N 3.26Å
170G68.5Low73.4Confident43 Ų4394.4 Ų94.444%0.44351%0.514SS..  trans-48.2154.1170.700000111.2D168D168-G170 PolarHBondContact O-N 3.43Å
171S82Confident74.2Confident22 Ų2291.2 Ų91.215%0.15450%0.498CS..  trans-51.3141.5-177.5-172.10000111.3L152 N153 E159 R173L152-S171 VanDerWaalsContact O-CB 3.23Å; L152-S171 WeakPolarHBondContact O-CB 3.45Å; N153-S171 PolarHBondContact O-N 3.44Å; E159-S171 PolarHBondContact OE1-OG 3.13Å; E159-S171 PolarHBondContact OE2-OG 2.73Å; S171-R173 VanDerWaalsContact OG-CG 3.27Å; S171-R173 WeakPolarHBondContact OG-CG 3.43Å; S171-R173 PolarHBondContact OG-NH1 2.91Å
172R83.7Confident75.5Confident194 Ų19487.2 Ų87.273%0.73248%0.477SS*.  trans-106.20.2-179.6-66.8-178.4177.2-170.2-3.5112.5E159E159-R172 PolarHBondContact OE1-N 3.04Å
173R87Confident77.1Confident24 Ų2483 Ų839%0.09144%0.441CS..  trans-61.2147.3-17976.2-175.7-172.2-105.412.6112.4Y151 T154 E159 S171 F175 L176 D179Y151-R173 VanDerWaalsContact CD1-NH2 3.32Å; Y151-R173 PolarHBondContact O-NH1 2.81Å; Y151-R173 PolarHBondContact O-NH2 3.03Å; T154-R173 PolarHBondContact O-NH1 2.7Å; E159-R173 PolarHBondContact OE1-N 3.34Å; S171-R173 VanDerWaalsContact OG-CG 3.27Å; S171-R173 WeakPolarHBondContact OG-CG 3.43Å; S171-R173 PolarHBondContact OG-NH1 2.91Å; R173-F175 WeakPolarHBondContact CD-O 3.47Å; R173-F175 VanDerWaalsContact CG-O 3.26Å; R173-F175 WeakPolarHBondContact CG-O 3.46Å; R173-F175 PolarHBondContact NE-O 2.65Å; R173-L176 PolarHBondContact NE-O 2.96Å; R173-L176 PolarHBondContact NH2-O 2.95Å; R173-D179 WeakPolarHBondContact CA-OD1 3.26Å
174K89.6Confident78.9Confident155 Ų15576.3 Ų76.367%0.67441%0.405SS*.SBendtrans-83.8-30.5178.9-63.8176.3-1741710113.9G178 D179K174-G178 PolarHBondContact N-O 3.39Å; K174-D179 PolarHBondContact N-OD1 3.24Å; K174-D179 VanDerWaalsContact N-OD1 3.14Å
175F93.3Very high80.7Confident62 Ų6272.9 Ų72.927%0.27238%0.384SS..BIsolated β-bridgetrans-132.6-179.9-172.4-57.9-65.6000111.6R173 D177 G178 D179 E180 L181R173-F175 WeakPolarHBondContact CD-O 3.47Å; R173-F175 VanDerWaalsContact CG-O 3.26Å; R173-F175 WeakPolarHBondContact CG-O 3.46Å; R173-F175 PolarHBondContact NE-O 2.65Å; F175-D177 VanDerWaalsContact C-N 3.3Å; F175-D177 PolarHBondContact O-N 2.77Å; F175-G178 CarbonylContact C-O 3.59Å; F175-G178 WeakPolarHBondContact CA-O 3.1Å; F175-G178 WeakPolarHBondContact CB-O 3.34Å; F175-G178 PolarHBondContact N-O 2.81Å; F175-D179 WeakPolarHBondContact CD2-O 3.3Å; F175-D179 WeakPolarHBondContact CE2-O 3.4Å; F175-E180 VanDerWaalsContact CD2-C 3.45Å; F175-L181 HydrophobicContact CD1-CD2 3.4Å; F175-L181 HydrophobicContact CD1-CG 4.05Å; F175-L181 HydrophobicContact CD2-CD2 4.33Å; F175-L181 HydrophobicContact CD2-CG 4.16Å; F175-L181 HydrophobicContact CE1-CD1 4.47Å; F175-L181 HydrophobicContact CE1-CD2 3.43Å; F175-L181 VanDerWaalsContact CE1-CD2 3.43Å; F175-L181 HydrophobicContact CE1-CG 3.82Å; F175-L181 HydrophobicContact CE2-CD2 4.36Å; F175-L181 HydrophobicContact CE2-CG 3.93Å; F175-L181 HydrophobicContact CG-CD2 3.88Å; F175-L181 HydrophobicContact CG-CG 4.22Å; F175-L181 HydrophobicContact CZ-CD1 4.29Å; F175-L181 HydrophobicContact CZ-CD2 3.93Å; F175-L181 HydrophobicContact CZ-CG 3.75Å
176L91.7Very high82.8Confident7 Ų766.3 Ų66.34%0.03734%0.34CS..THydrogen-bonded Turntrans-56.6-41.8-172-78166.9000113.6A114 L148 Y151 L152 R173 A184 D185 L188A114-L176 HydrophobicContact CB-CD2 4.02Å; L148-L176 HydrophobicContact CD1-CD2 3.88Å; Y151-L176 HydrophobicContact CD1-CD2 4.19Å; Y151-L176 HydrophobicContact CE1-CD2 4.05Å; L152-L176 HydrophobicContact CD2-CD2 4.08Å; R173-L176 PolarHBondContact NE-O 2.96Å; R173-L176 PolarHBondContact NH2-O 2.95Å; L176-A184 HydrophobicContact CD1-CB 3.76Å; L176-D185 VanDerWaalsContact CB-OD1 3.3Å; L176-D185 WeakPolarHBondContact CB-OD1 3.35Å; L176-D185 WeakPolarHBondContact CD1-OD1 3.31Å; L176-D185 VanDerWaalsContact CG-OD1 3.25Å; L176-D185 WeakPolarHBondContact CG-OD1 3.19Å; L176-D185 PolarHBondContact N-OD1 2.72Å; L176-L188 HydrophobicContact CD1-CB 4.23Å; L176-L188 HydrophobicContact CD1-CD2 3.86Å; L176-L188 HydrophobicContact CD2-CD2 4.12Å; L176-L188 HydrophobicContact CG-CD2 4.46Å
177D91.8Very high84.8Confident14 Ų1465.4 Ų65.48%0.07532%0.324CS..THydrogen-bonded Turntrans-1149.2-170.4-158.859.1000113.7A106 K107 H108 S111 F175 T182A106-D177 WeakPolarHBondContact CA-OD2 3.5Å; A106-D177 HydrophobicContact CB-CB 4.15Å; K107-D177 WeakPolarHBondContact CB-OD2 3.39Å; K107-D177 PolarHBondContact N-OD2 2.98Å; H108-D177 VanDerWaalsContact CB-OD1 3.26Å; H108-D177 WeakPolarHBondContact CB-OD1 3.48Å; H108-D177 IonicContact CE1-OD1 3.98Å; H108-D177 IonicContact CG-OD1 3.38Å; H108-D177 PolarHBondContact N-OD1 2.63Å; H108-D177 IonicContact ND1-OD1 2.77Å; H108-D177 PolarHBondContact ND1-OD1 3.29Å; S111-D177 PolarHBondContact OG-OD1 3Å; F175-D177 VanDerWaalsContact C-N 3.3Å; F175-D177 PolarHBondContact O-N 2.77Å; D177-T182 HydrophobicContact CB-CG2 3.77Å
178G90.3Very high87Confident19 Ų1958 Ų5820%0.19629%0.29CS..BIsolated β-bridgetrans146.3-148.7-177.900000113.1K174 F175K174-G178 PolarHBondContact N-O 3.39Å; F175-G178 CarbonylContact C-O 3.59Å; F175-G178 WeakPolarHBondContact CA-O 3.1Å; F175-G178 WeakPolarHBondContact CB-O 3.34Å; F175-G178 PolarHBondContact N-O 2.81Å
179D90.5Very high88.7Confident99 Ų9952.7 Ų52.753%0.52926%0.261SS..SBendtrans-92.1-4.8-178.1-77.6-14.7000114.5R173 K174 F175R173-D179 WeakPolarHBondContact CA-OD1 3.26Å; K174-D179 PolarHBondContact N-OD1 3.24Å; K174-D179 VanDerWaalsContact N-OD1 3.14Å; F175-D179 WeakPolarHBondContact CD2-O 3.3Å; F175-D179 WeakPolarHBondContact CE2-O 3.4Å
180E91.2Very high90.1Very high159 Ų15947.2 Ų47.274%0.74324%0.237SC*.SBendtrans-113.3152.2176.9-63.4-171.316400111.4F175F175-E180 VanDerWaalsContact CD2-C 3.45Å
181L93.7Very high91.1Very high48 Ų4846.6 Ų46.625%0.25122%0.223SC..  trans-75.1134.4177.8-77.5166000111L44 F175 D185 L189L44-L181 HydrophobicContact CD1-CB 3.63Å; L44-L181 HydrophobicContact CD1-CD1 4.32Å; L44-L181 HydrophobicContact CD2-CB 4.02Å; L44-L181 HydrophobicContact CD2-CD1 3.89Å; F175-L181 HydrophobicContact CD1-CD2 3.4Å; F175-L181 HydrophobicContact CD1-CG 4.05Å; F175-L181 HydrophobicContact CD2-CD2 4.33Å; F175-L181 HydrophobicContact CD2-CG 4.16Å; F175-L181 HydrophobicContact CE1-CD1 4.47Å; F175-L181 HydrophobicContact CE1-CD2 3.43Å; F175-L181 VanDerWaalsContact CE1-CD2 3.43Å; F175-L181 HydrophobicContact CE1-CG 3.82Å; F175-L181 HydrophobicContact CE2-CD2 4.36Å; F175-L181 HydrophobicContact CE2-CG 3.93Å; F175-L181 HydrophobicContact CG-CD2 3.88Å; F175-L181 HydrophobicContact CG-CG 4.22Å; F175-L181 HydrophobicContact CZ-CD1 4.29Å; F175-L181 HydrophobicContact CZ-CD2 3.93Å; F175-L181 HydrophobicContact CZ-CG 3.75Å; L181-D185 HydrophobicContact CD2-CB 3.56Å; L181-L189 HydrophobicContact CD2-CD1 3.86Å
182T94.3Very high91.5Very high13 Ų1347.7 Ų47.78%0.0823%0.226CC..  trans-117.2175.1178.366.50000112.2L104 A106 D177 A184 D185 C186L104-T182 CarbonylContact O-C 3.58Å; L104-T182 VanDerWaalsContact O-CA 3.27Å; L104-T182 WeakPolarHBondContact O-CA 3.49Å; L104-T182 VanDerWaalsContact O-CB 3.31Å; L104-T182 WeakPolarHBondContact O-CB 3.39Å; A106-T182 HydrophobicContact CB-CG2 4.42Å; D177-T182 HydrophobicContact CB-CG2 3.77Å; T182-A184 PolarHBondContact O-N 3.32Å; T182-A184 PolarHBondContact OG1-N 3.46Å; T182-D185 PolarHBondContact N-OD2 3.44Å; T182-D185 WeakPolarHBondContact O-CB 3.15Å; T182-D185 PolarHBondContact O-N 2.94Å; T182-D185 VanDerWaalsContact O-N 3.1Å; T182-D185 PolarHBondContact OG1-OD2 3.34Å; T182-C186 PolarHBondContact O-N 3.26Å; T182-C186 VanDerWaalsContact O-N 3.08Å; T182-C186 PolarHBondContact O-SG 3.28Å
183L93.3Very high91.8Very high14 Ų1442.8 Ų42.87%0.07321%0.212CC..Hα-helixtrans-56.5-33.1171.2-65.6-179.5000112.2I41 E89 E93 L104 A105 D185 C186 N187I41-L183 HydrophobicContact CD1-CD2 3.94Å; I41-L183 HydrophobicContact CG1-CD2 3.73Å; I41-L183 HydrophobicContact CG2-CD2 4.12Å; E89-L183 HydrophobicContact CG-CD1 3.91Å; E89-L183 HydrophobicContact CG-CD2 3.91Å; E89-L183 HydrophobicContact CG-CG 4.4Å; E93-L183 HydrophobicContact CB-CD1 4.36Å; E93-L183 HydrophobicContact CG-CD1 4.27Å; L104-L183 HydrophobicContact CB-CD2 3.83Å; L104-L183 HydrophobicContact CB-CG 3.86Å; L104-L183 HydrophobicContact CD1-CD2 4.37Å; L104-L183 PolarHBondContact O-N 3.34Å; A105-L183 HydrophobicContact CB-CD1 4.38Å; L183-D185 VanDerWaalsContact C-N 3.33Å; L183-D185 PolarHBondContact O-N 2.88Å; L183-C186 PolarHBondContact O-N 3.17Å; L183-N187 WeakPolarHBondContact O-CB 3.14Å; L183-N187 PolarHBondContact O-N 2.72Å
184A93.2Very high91.8Very high5 Ų542.5 Ų42.54%0.04121%0.213CC..Hα-helixtrans-61.9-43.1176.200000111.3A106 S111 L176 T182 N187 L188A106-A184 HydrophobicContact CB-CB 4.49Å; S111-A184 WeakPolarHBondContact O-CB 3.49Å; L176-A184 HydrophobicContact CD1-CB 3.76Å; T182-A184 PolarHBondContact O-N 3.32Å; T182-A184 PolarHBondContact OG1-N 3.46Å; A184-N187 PolarHBondContact O-N 3.34Å; A184-L188 WeakPolarHBondContact O-CB 3.26Å; A184-L188 PolarHBondContact O-N 2.95Å
185D94.4Very high91.7Very high5 Ų535.6 Ų35.63%0.02718%0.183CC..Hα-helixtrans-67.3-43.1177.9-56.5-73000111.1L176 L181 T182 L183 N187 L188 L189L176-D185 VanDerWaalsContact CB-OD1 3.3Å; L176-D185 WeakPolarHBondContact CB-OD1 3.35Å; L176-D185 WeakPolarHBondContact CD1-OD1 3.31Å; L176-D185 VanDerWaalsContact CG-OD1 3.25Å; L176-D185 WeakPolarHBondContact CG-OD1 3.19Å; L176-D185 PolarHBondContact N-OD1 2.72Å; L181-D185 HydrophobicContact CD2-CB 3.56Å; T182-D185 PolarHBondContact N-OD2 3.44Å; T182-D185 WeakPolarHBondContact O-CB 3.15Å; T182-D185 PolarHBondContact O-N 2.94Å; T182-D185 VanDerWaalsContact O-N 3.1Å; T182-D185 PolarHBondContact OG1-OD2 3.34Å; L183-D185 VanDerWaalsContact C-N 3.33Å; L183-D185 PolarHBondContact O-N 2.88Å; D185-N187 PolarHBondContact O-N 3.04Å; D185-L188 PolarHBondContact O-N 2.96Å; D185-L189 HydrophobicContact CB-CD1 3.95Å; D185-L189 HydrophobicContact CB-CG 4.38Å; D185-L189 VanDerWaalsContact O-CB 3.27Å; D185-L189 WeakPolarHBondContact O-CB 3.4Å; D185-L189 VanDerWaalsContact O-CG 3.3Å; D185-L189 WeakPolarHBondContact O-CG 3.12Å; D185-L189 PolarHBondContact O-N 2.78Å
186C93.5Very high91.4Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-58.9-33.3175.8-62.80000112.2R37 M40 I41 L44 T182 L183 P190R37-C186 WeakPolarHBondContact CA-O 3.35Å; R37-C186 WeakPolarHBondContact CB-O 3.27Å; R37-C186 HydrophobicContact CG-CB 4.31Å; R37-C186 WeakPolarHBondContact CG-O 3.4Å; M40-C186 HydrophobicContact CB-CB 4.27Å; I41-C186 HydrophobicContact CD1-CB 4.39Å; I41-C186 HydrophobicContact CG1-CB 3.84Å; L44-C186 WeakPolarHBondContact CD1-SG 3.32Å; T182-C186 PolarHBondContact O-N 3.26Å; T182-C186 VanDerWaalsContact O-N 3.08Å; T182-C186 PolarHBondContact O-SG 3.28Å; L183-C186 PolarHBondContact O-N 3.17Å; C186-P190 WeakPolarHBondContact O-CD 3.46Å; C186-P190 VanDerWaalsContact O-CG 3.28Å; C186-P190 WeakPolarHBondContact O-CG 3.48Å
187N92.4Very high91.1Very high25 Ų2543.5 Ų43.513%0.13422%0.221CC..Hα-helixtrans-78.2-39177.6-174.222.4000113R37 L183 A184 D185 K191R37-N187 PolarHBondContact NH1-OD1 2.69Å; L183-N187 WeakPolarHBondContact O-CB 3.14Å; L183-N187 PolarHBondContact O-N 2.72Å; A184-N187 PolarHBondContact O-N 3.34Å; D185-N187 PolarHBondContact O-N 3.04Å; N187-K191 WeakPolarHBondContact O-CD 3.42Å; N187-K191 PolarHBondContact OD1-NZ 3.06Å
188L92.6Very high90.4Very high13 Ų1345.6 Ų45.67%0.06824%0.237CC..Hα-helixtrans-89.4-43-171.6-17568.2000113.2G115 L148 L176 A184 D185 K191 L192G115-L188 WeakPolarHBondContact O-CD1 3.43Å; L148-L188 HydrophobicContact CD1-CD2 3.83Å; L148-L188 HydrophobicContact CD2-CD2 3.87Å; L176-L188 HydrophobicContact CD1-CB 4.23Å; L176-L188 HydrophobicContact CD1-CD2 3.86Å; L176-L188 HydrophobicContact CD2-CD2 4.12Å; L176-L188 HydrophobicContact CG-CD2 4.46Å; A184-L188 WeakPolarHBondContact O-CB 3.26Å; A184-L188 PolarHBondContact O-N 2.95Å; D185-L188 PolarHBondContact O-N 2.96Å; L188-K191 WeakPolarHBondContact O-CB 3.41Å; L188-K191 PolarHBondContact O-N 3.11Å; L188-K191 VanDerWaalsContact O-N 3.1Å; L188-L192 HydrophobicContact CD1-CD1 4.26Å; L188-L192 HydrophobicContact CD1-CD2 4.43Å; L188-L192 HydrophobicContact CD1-CG 4.07Å; L188-L192 HydrophobicContact CD2-CD1 3.87Å; L188-L192 HydrophobicContact CG-CD1 3.66Å; L188-L192 HydrophobicContact CG-CG 3.91Å; L188-L192 PolarHBondContact O-N 3.15Å
189L93.3Very high89.4Confident70 Ų7050 Ų5037%0.36625%0.251SS..Hα-helixtrans-58.7-45.7-173.9-69.8172.7000113.5M40 L181 D185 K191 L192 H193M40-L189 HydrophobicContact CE-CD1 4.08Å; L181-L189 HydrophobicContact CD2-CD1 3.86Å; D185-L189 HydrophobicContact CB-CD1 3.95Å; D185-L189 HydrophobicContact CB-CG 4.38Å; D185-L189 VanDerWaalsContact O-CB 3.27Å; D185-L189 WeakPolarHBondContact O-CB 3.4Å; D185-L189 VanDerWaalsContact O-CG 3.3Å; D185-L189 WeakPolarHBondContact O-CG 3.12Å; D185-L189 PolarHBondContact O-N 2.78Å; L189-K191 VanDerWaalsContact C-N 3.27Å; L189-K191 PolarHBondContact O-N 3.35Å; L189-L192 PolarHBondContact O-N 3.15Å; L189-H193 WeakPolarHBondContact O-CB 3.42Å; L189-H193 PolarHBondContact O-N 3.11Å
190P91.8Very high87.6Confident0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-59.1-39.3175.8-27.537.8000112.8P33 Q36 M40 C186 H193 V194P33-P190 HydrophobicContact CB-CB 3.84Å; P33-P190 WeakPolarHBondContact O-CB 3.26Å; Q36-P190 HydrophobicContact CB-CB 3.99Å; Q36-P190 HydrophobicContact CB-CG 4.04Å; Q36-P190 HydrophobicContact CG-CB 4.1Å; Q36-P190 HydrophobicContact CG-CG 3.87Å; M40-P190 HydrophobicContact SD-CG 3.96Å; C186-P190 WeakPolarHBondContact O-CD 3.46Å; C186-P190 VanDerWaalsContact O-CG 3.28Å; C186-P190 WeakPolarHBondContact O-CG 3.48Å; P190-H193 PolarHBondContact O-N 3.17Å; P190-V194 WeakPolarHBondContact O-CG2 3.43Å; P190-V194 PolarHBondContact O-N 3.35Å; P190-V194 VanDerWaalsContact O-N 3.17Å
191K90.2Very high87.4Confident31 Ų3147.4 Ų47.414%0.13525%0.252CS..Hα-helixtrans-68.7-45179.6-67.8173.1-175.2164.10111.1P33 F119 N187 L188 L189 H193 V194 V195P33-K191 HydrophobicContact CB-CG 4.11Å; F119-K191 HydrophobicContact CB-CB 4.12Å; F119-K191 HydrophobicContact CB-CD 3.89Å; F119-K191 HydrophobicContact CB-CG 4.23Å; F119-K191 HydrophobicContact CD2-CB 3.63Å; F119-K191 HydrophobicContact CD2-CD 4.45Å; F119-K191 HydrophobicContact CD2-CG 3.88Å; F119-K191 HydrophobicContact CE2-CB 4.32Å; F119-K191 HydrophobicContact CE2-CG 4.38Å; F119-K191 HydrophobicContact CG-CB 4.06Å; F119-K191 HydrophobicContact CG-CD 4.07Å; F119-K191 HydrophobicContact CG-CG 3.97Å; N187-K191 WeakPolarHBondContact O-CD 3.42Å; N187-K191 PolarHBondContact OD1-NZ 3.06Å; L188-K191 WeakPolarHBondContact O-CB 3.41Å; L188-K191 PolarHBondContact O-N 3.11Å; L188-K191 VanDerWaalsContact O-N 3.1Å; L189-K191 VanDerWaalsContact C-N 3.27Å; L189-K191 PolarHBondContact O-N 3.35Å; K191-H193 VanDerWaalsContact C-N 3.29Å; K191-H193 PolarHBondContact O-N 3.24Å; K191-V194 PolarHBondContact O-N 3.37Å; K191-V195 VanDerWaalsContact O-CG2 3.28Å; K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.88Å
192L90.7Very high87.1Confident44 Ų4447.3 Ų47.323%0.2325%0.252CS..Hα-helixtrans-62.7-37.5176.5-71178.4000111.9I118 L145 L148 L188 L189 V195 K196I118-L192 HydrophobicContact CD1-CD2 4.07Å; I118-L192 HydrophobicContact CG2-CD2 4.06Å; L145-L192 HydrophobicContact CD2-CD2 4.44Å; L148-L192 HydrophobicContact CD2-CD1 3.92Å; L148-L192 HydrophobicContact CD2-CD2 4.29Å; L188-L192 HydrophobicContact CD1-CD1 4.26Å; L188-L192 HydrophobicContact CD1-CD2 4.43Å; L188-L192 HydrophobicContact CD1-CG 4.07Å; L188-L192 HydrophobicContact CD2-CD1 3.87Å; L188-L192 HydrophobicContact CG-CD1 3.66Å; L188-L192 HydrophobicContact CG-CG 3.91Å; L188-L192 PolarHBondContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 3.15Å; L192-V195 WeakPolarHBondContact O-CB 3.42Å; L192-V195 PolarHBondContact O-N 3.2Å; L192-K196 PolarHBondContact O-N 3.08Å
193H89.2Confident86.7Confident91 Ų9149.2 Ų49.242%0.42126%0.262SS..Hα-helixtrans-62-44.6175.7-174.165000111.9L189 P190 K191 V195 K196 L197L189-H193 WeakPolarHBondContact O-CB 3.42Å; L189-H193 PolarHBondContact O-N 3.11Å; P190-H193 PolarHBondContact O-N 3.17Å; K191-H193 VanDerWaalsContact C-N 3.29Å; K191-H193 PolarHBondContact O-N 3.24Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.17Å; H193-K196 PolarHBondContact O-N 3.14Å; H193-L197 VanDerWaalsContact NE2-CD1 3.35Å; H193-L197 WeakPolarHBondContact NE2-CD1 3.32Å; H193-L197 WeakPolarHBondContact O-CG 3.43Å; H193-L197 PolarHBondContact O-N 3.02Å
194V87.8Confident86.3Confident19 Ų1951.3 Ų51.312%0.11527%0.273CS..Hα-helixtrans-60.3-42.5174.2173.20000111.5P33 F119 F122 P190 K191 S198P33-V194 HydrophobicContact CB-CG2 4.47Å; F119-V194 HydrophobicContact CE2-CB 4.27Å; F119-V194 HydrophobicContact CE2-CG1 4.08Å; F122-V194 HydrophobicContact CE1-CG1 4.39Å; P190-V194 WeakPolarHBondContact O-CG2 3.43Å; P190-V194 PolarHBondContact O-N 3.35Å; P190-V194 VanDerWaalsContact O-N 3.17Å; K191-V194 PolarHBondContact O-N 3.37Å; V194-S198 PolarHBondContact O-N 3.13Å; V194-S198 PolarHBondContact O-OG 3.03Å
195V87Confident85.9Confident9 Ų954.2 Ų54.26%0.05529%0.287CS..Hα-helixtrans-58.6-50.6175.21770000110.2I118 F119 F122 K191 L192 H193 L197 S198 F199I118-V195 HydrophobicContact CG2-CG2 4.47Å; F119-V195 HydrophobicContact CD2-CG2 4.43Å; F122-V195 HydrophobicContact CB-CG2 3.9Å; F122-V195 HydrophobicContact CD1-CG2 3.65Å; F122-V195 HydrophobicContact CD2-CB 4.18Å; F122-V195 HydrophobicContact CD2-CG1 3.7Å; F122-V195 HydrophobicContact CD2-CG2 3.93Å; F122-V195 HydrophobicContact CE1-CG2 4.16Å; F122-V195 HydrophobicContact CE2-CB 4.34Å; F122-V195 HydrophobicContact CE2-CG1 4.03Å; F122-V195 HydrophobicContact CE2-CG2 4.4Å; F122-V195 HydrophobicContact CG-CB 4.27Å; F122-V195 HydrophobicContact CG-CG1 4.15Å; F122-V195 HydrophobicContact CG-CG2 3.52Å; K191-V195 VanDerWaalsContact O-CG2 3.28Å; K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.88Å; L192-V195 WeakPolarHBondContact O-CB 3.42Å; L192-V195 PolarHBondContact O-N 3.2Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.17Å; V195-L197 PolarHBondContact O-N 3.37Å; V195-S198 PolarHBondContact O-N 3.17Å; V195-S198 VanDerWaalsContact O-N 3.15Å; V195-F199 HydrophobicContact CG1-CD2 4.07Å; V195-F199 HydrophobicContact CG1-CE2 3.82Å; V195-F199 WeakPolarHBondContact O-CD2 3.46Å
196K87.5Confident85.3Confident146 Ų14657.5 Ų57.564%0.63531%0.305SS*.Hα-helixtrans-58-48.8-179.3-179.8177.5177.2176.30112.4L192 H193 S198 F199 C200L192-K196 PolarHBondContact O-N 3.08Å; H193-K196 PolarHBondContact O-N 3.14Å; K196-S198 PolarHBondContact O-N 3.21Å; K196-F199 PolarHBondContact O-N 3.04Å; K196-F199 VanDerWaalsContact O-N 3.16Å; K196-C200 PolarHBondContact O-N 3.11Å
197L84.1Confident84.7Confident89 Ų8961.6 Ų61.647%0.46633%0.327SS..Hα-helixtrans-64.6-22.5-179.7-72-178.5000113.5H193 V195 F199H193-L197 VanDerWaalsContact NE2-CD1 3.35Å; H193-L197 WeakPolarHBondContact NE2-CD1 3.32Å; H193-L197 WeakPolarHBondContact O-CG 3.43Å; H193-L197 PolarHBondContact O-N 3.02Å; V195-L197 PolarHBondContact O-N 3.37Å; L197-F199 VanDerWaalsContact C-N 3.29Å
198S78.5Confident84.2Confident59 Ų5964.4 Ų64.441%0.41334%0.341SS..THydrogen-bonded Turntrans-82.2-10179.3-55.90000113.4F122 V194 V195 K196F122-S198 VanDerWaalsContact CZ-CB 3.42Å; F122-S198 WeakPolarHBondContact CZ-OG 3.49Å; V194-S198 PolarHBondContact O-N 3.13Å; V194-S198 PolarHBondContact O-OG 3.03Å; V195-S198 PolarHBondContact O-N 3.17Å; V195-S198 VanDerWaalsContact O-N 3.15Å; K196-S198 PolarHBondContact O-N 3.21Å
199F68.8Low83.5Confident111 Ų11168.7 Ų68.749%0.48736%0.364SS..  trans-110-2.7177.1-71.6-71000113.3F122 Y125 L141 V195 K196 L197F122-F199 AromaticContact CD2-CE2 3.79Å; F122-F199 HydrophobicContact CD2-CE2 3.79Å; F122-F199 HydrophobicContact CD2-CZ 4.24Å; F122-F199 HydrophobicContact CE2-CD2 4.29Å; F122-F199 AromaticContact CE2-CE2 3.62Å; F122-F199 HydrophobicContact CE2-CE2 3.62Å; F122-F199 HydrophobicContact CE2-CZ 4.13Å; Y125-F199 HydrophobicContact CD1-CE1 4.39Å; Y125-F199 HydrophobicContact CD1-CZ 4.02Å; Y125-F199 AromaticContact CE1-CE1 3.74Å; Y125-F199 HydrophobicContact CE1-CE1 3.74Å; Y125-F199 AromaticContact CE1-CZ 3.82Å; Y125-F199 HydrophobicContact CE1-CZ 3.82Å; L141-F199 HydrophobicContact CD2-CE2 4.1Å; L141-F199 HydrophobicContact CD2-CZ 3.93Å; V195-F199 HydrophobicContact CG1-CD2 4.07Å; V195-F199 HydrophobicContact CG1-CE2 3.82Å; V195-F199 WeakPolarHBondContact O-CD2 3.46Å; K196-F199 PolarHBondContact O-N 3.04Å; K196-F199 VanDerWaalsContact O-N 3.16Å; L197-F199 VanDerWaalsContact C-N 3.29Å
200C52.7Low82.6Confident155 Ų15568.5 Ų68.5100%1.04736%0.364SS*.  trans-980171.4-77.60000110.4K196K196-C200 PolarHBondContact O-N 3.11Å

Retrieved 200 of 200 residues in 502.5 ms (Link to these results)

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