X2JI38_DROME Loading...

SET and MYND domain containing, arthropod-specific, member 8, isoform C

AlphaFold DB , UniProt , Accession X2JI38, Species DROME (Drosophila melanogaster, Fruit fly), Gene SmydA-8, Length 158 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
1M36.7Very low43.8Very low244 Ų244153.5 Ų153.5100%1.20276%0.757SS**  01040-80.91666000107.8
2I35.1Very low45.5Very low160 Ų160143.2 Ų143.282%0.82171%0.71SS**  trans-86.4134.1176.3-59.3168.2000106.3K4I2-K4 PolarHBondContact O-N 3.33Å
3P43.2Very low47.9Very low113 Ų113134.3 Ų134.373%0.73467%0.67SS**  trans-63.8130.9178.3-3.817.1000108.6R5P3-R5 PolarHBondContact O-N 3.33Å
4K37.7Very low50.3Low197 Ų197129.6 Ų129.686%0.85765%0.645SS**  trans-54.3114.4173.9-76.1-179.8173-178.50108.2I2 V6I2-K4 PolarHBondContact O-N 3.33Å; K4-V6 PolarHBondContact O-N 3.04Å
5R41.5Very low52.5Low225 Ų225127.5 Ų127.585%0.84964%0.637SS**  trans-54.5128.9164.7-72.4-179.8-176-1780.3106.5P3 H7P3-R5 PolarHBondContact O-N 3.33Å; R5-H7 PolarHBondContact O-CD2 3.5Å; R5-H7 PolarHBondContact O-N 2.98Å
6V44.3Very low54.5Low126 Ų126120.8 Ų120.876%0.76461%0.611SS**  trans-51.5114.2168.3179.10000106.2K4K4-V6 PolarHBondContact O-N 3.04Å
7H42.8Very low56.5Low129 Ų129113.9 Ų113.960%0.59758%0.576SS**  trans-65.6159.7178.5-79.6-92.3000108.4R5 E9R5-H7 PolarHBondContact O-CD2 3.5Å; R5-H7 PolarHBondContact O-N 2.98Å; H7-E9 HydrophobicContact CB-CB 4.29Å; H7-E9 HydrophobicContact CB-CG 3.81Å; H7-E9 PolarHBondContact O-N 3.05Å
8I45.2Very low58.5Low173 Ų173111.6 Ų111.689%0.88756%0.56SS**SBendtrans-68.652.1172.8-58.6157.7000109
9E42.2Very low60.3Low137 Ų137107.2 Ų107.264%0.6454%0.538SS*.  trans-109.512.4-176.5-75.8-176.5160.600110.6H7 L11H7-E9 HydrophobicContact CB-CB 4.29Å; H7-E9 HydrophobicContact CB-CG 3.81Å; H7-E9 PolarHBondContact O-N 3.05Å; E9-L11 WeakPolarHBondContact O-CD1 3.03Å; E9-L11 WeakPolarHBondContact O-CG 2.9Å
10D50.8Low61.9Low98 Ų98102.7 Ų102.752%0.52452%0.517SS..  trans-111.271.7168-72-46.2000109.9
11L62.1Low63.5Low87 Ų8797.8 Ų97.846%0.45549%0.492SS..  79.7131.882.6-77.7151000110.6E9 S13 E14E9-L11 WeakPolarHBondContact O-CD1 3.03Å; E9-L11 WeakPolarHBondContact O-CG 2.9Å; L11-S13 PolarHBondContact O-N 2.68Å; L11-S13 PolarHBondContact O-OG 3.11Å; L11-E14 PolarHBondContact O-N 3.32Å; L11-E14 VanDerWaalsContact O-N 3.11Å
12P64.5Low66.3Low29 Ų2986.2 Ų86.219%0.18844%0.435CS..THydrogen-bonded Turntrans-42.7-9.8-167.9-29.126.9000120.5E14 I34 P35 Q37P12-E14 VanDerWaalsContact C-N 3.3Å; P12-I34 HydrophobicContact CB-CB 4.48Å; P12-I34 HydrophobicContact CB-CD1 4.1Å; P12-I34 HydrophobicContact CB-CG1 4.34Å; P12-P35 WeakPolarHBondContact CB-O 3.5Å; P12-P35 WeakPolarHBondContact CG-O 3.31Å; P12-Q37 HydrophobicContact CG-CB 3.81Å
13S76.9Confident69.2Low28 Ų2881 Ų8120%0.19641%0.407CS..THydrogen-bonded Turntrans-73.3-9.6171.269.70000115.5L11 N15 G16 T17 Y18L11-S13 PolarHBondContact O-N 2.68Å; L11-S13 PolarHBondContact O-OG 3.11Å; S13-N15 PolarHBondContact O-N 3.11Å; S13-G16 CarbonylContact O-C 3.57Å; S13-G16 WeakPolarHBondContact O-CA 2.84Å; S13-G16 PolarHBondContact O-N 2.61Å; S13-T17 PolarHBondContact O-N 2.76Å; S13-T17 VanDerWaalsContact O-N 3.09Å; S13-Y18 PolarHBondContact O-N 3.36Å
14E81.5Confident71.8Confident68 Ų6876.2 Ų76.232%0.31838%0.376SS..THydrogen-bonded Turntrans57.750.5177-61.8158.8128.200111.7L11 P12 G16 T17 L19 S20L11-E14 PolarHBondContact O-N 3.32Å; L11-E14 VanDerWaalsContact O-N 3.11Å; P12-E14 VanDerWaalsContact C-N 3.3Å; E14-G16 VanDerWaalsContact C-N 3.29Å; E14-G16 PolarHBondContact O-N 2.73Å; E14-T17 WeakPolarHBondContact CB-OG1 3.38Å; E14-T17 WeakPolarHBondContact O-CB 3.21Å; E14-T17 WeakPolarHBondContact O-CG2 3.36Å; E14-T17 PolarHBondContact O-N 2.94Å; E14-T17 PolarHBondContact O-OG1 3.02Å; E14-L19 WeakPolarHBondContact OE2-CA 3.01Å; E14-L19 WeakPolarHBondContact OE2-CB 3.28Å; E14-L19 PolarHBondContact OE2-N 3.45Å; E14-S20 PolarHBondContact OE2-N 2.96Å; E14-S20 PolarHBondContact OE2-OG 3.19Å
15N82.9Confident74.5Confident98 Ų9871 Ų7152%0.52435%0.35SS..THydrogen-bonded Turntrans56.839.1-171.5-151.422.7000113.6S13 T17 K141S13-N15 PolarHBondContact O-N 3.11Å; N15-T17 VanDerWaalsContact C-N 3.26Å; N15-T17 PolarHBondContact O-N 3.31Å; N15-K141 PolarHBondContact ND2-O 3.04Å
16G84.3Confident77.1Confident21 Ų2164.1 Ų64.122%0.21633%0.328CS..THydrogen-bonded Turntrans70.219.1179.800000114.7S13 E14 Y18 K141S13-G16 CarbonylContact O-C 3.57Å; S13-G16 WeakPolarHBondContact O-CA 2.84Å; S13-G16 PolarHBondContact O-N 2.61Å; E14-G16 VanDerWaalsContact C-N 3.29Å; E14-G16 PolarHBondContact O-N 2.73Å; G16-Y18 WeakPolarHBondContact O-CD2 3.35Å; G16-K141 PolarHBondContact O-NZ 3.35Å
17T88.6Confident79.5Confident3 Ų367 Ų672%0.01833%0.333CS..THydrogen-bonded Turntrans-84.9-30.3172.358.30000112.4S13 E14 N15 L19 S97 I138 K141 L142S13-T17 PolarHBondContact O-N 2.76Å; S13-T17 VanDerWaalsContact O-N 3.09Å; E14-T17 WeakPolarHBondContact CB-OG1 3.38Å; E14-T17 WeakPolarHBondContact O-CB 3.21Å; E14-T17 WeakPolarHBondContact O-CG2 3.36Å; E14-T17 PolarHBondContact O-N 2.94Å; E14-T17 PolarHBondContact O-OG1 3.02Å; N15-T17 VanDerWaalsContact C-N 3.26Å; N15-T17 PolarHBondContact O-N 3.31Å; T17-L19 PolarHBondContact O-N 3.4Å; T17-S97 WeakPolarHBondContact O-CB 3.38Å; T17-S97 PolarHBondContact O-OG 3.36Å; T17-S97 VanDerWaalsContact O-OG 3.08Å; T17-I138 HydrophobicContact CG2-CG2 4.26Å; T17-K141 HydrophobicContact CG2-CB 3.44Å; T17-K141 VanDerWaalsContact CG2-CB 3.44Å; T17-K141 HydrophobicContact CG2-CD 4.03Å; T17-K141 HydrophobicContact CG2-CG 4.42Å; T17-L142 HydrophobicContact CG2-CD2 3.79Å; T17-L142 HydrophobicContact CG2-CG 3.94Å
18Y93.1Very high82Confident73 Ų7364.9 Ų64.929%0.28635%0.346SS..  trans55.538.1179.1-54.8-73.3000112.7S13 G16 S20 A21 L32 I34 I48 S97S13-Y18 PolarHBondContact O-N 3.36Å; G16-Y18 WeakPolarHBondContact O-CD2 3.35Å; Y18-S20 PolarHBondContact O-N 3Å; Y18-A21 VanDerWaalsContact O-CB 3.31Å; Y18-A21 WeakPolarHBondContact O-CB 3.43Å; Y18-A21 PolarHBondContact O-N 3.23Å; Y18-A21 VanDerWaalsContact O-N 3.12Å; Y18-L32 HydrophobicContact CD1-CD1 4.47Å; Y18-L32 HydrophobicContact CD2-CD1 4.39Å; Y18-L32 HydrophobicContact CG-CD1 4.16Å; Y18-I34 HydrophobicContact CD1-CG2 3.89Å; Y18-I34 HydrophobicContact CE1-CG2 4.44Å; Y18-I48 HydrophobicContact CE1-CD1 4.12Å; Y18-S97 PolarHBondContact O-OG 3.46Å
19L93.3Very high84.5Confident28 Ų2857.7 Ų57.715%0.14731%0.311CS..THydrogen-bonded Turntrans-59.3-37.3-179.4-67.3172.1000111.9E14 T17 S97 N98 Y99 I102 I138 L142E14-L19 WeakPolarHBondContact OE2-CA 3.01Å; E14-L19 WeakPolarHBondContact OE2-CB 3.28Å; E14-L19 PolarHBondContact OE2-N 3.45Å; T17-L19 PolarHBondContact O-N 3.4Å; L19-S97 WeakPolarHBondContact CA-O 3.36Å; L19-S97 VanDerWaalsContact CD2-O 3.31Å; L19-S97 WeakPolarHBondContact CD2-O 3.21Å; L19-N98 CarbonylContact O-C 3.52Å; L19-N98 VanDerWaalsContact O-CA 3.27Å; L19-N98 WeakPolarHBondContact O-CA 3.37Å; L19-N98 PolarHBondContact O-ND2 2.68Å; L19-Y99 WeakPolarHBondContact O-CD1 3.37Å; L19-Y99 PolarHBondContact O-N 3.36Å; L19-I102 HydrophobicContact CD2-CG1 4.45Å; L19-I138 HydrophobicContact CD2-CD1 4.29Å; L19-I138 HydrophobicContact CD2-CG2 3.92Å; L19-L142 HydrophobicContact CD1-CD1 4.21Å; L19-L142 HydrophobicContact CD1-CD2 4.19Å
20S92.1Very high87Confident16 Ų1662.6 Ų62.611%0.11232%0.324CS..THydrogen-bonded Turntrans-83.2-10.4178.761.70000114E14 Y18 W45E14-S20 PolarHBondContact OE2-N 2.96Å; E14-S20 PolarHBondContact OE2-OG 3.19Å; Y18-S20 PolarHBondContact O-N 3Å; S20-W45 VanDerWaalsContact O-CH2 3.27Å; S20-W45 WeakPolarHBondContact O-CH2 3.26Å; S20-W45 VanDerWaalsContact O-CZ3 3.26Å; S20-W45 WeakPolarHBondContact O-CZ3 3.27Å
21A94.9Very high89.1Confident0 Ų058.2 Ų58.20%030%0.301CS..  trans-66.7150.9-167.700000113.7Y18 L32 V33 I34 P95 N98Y18-A21 VanDerWaalsContact O-CB 3.31Å; Y18-A21 WeakPolarHBondContact O-CB 3.43Å; Y18-A21 PolarHBondContact O-N 3.23Å; Y18-A21 VanDerWaalsContact O-N 3.12Å; A21-L32 HydrophobicContact CB-CB 4.39Å; A21-L32 HydrophobicContact CB-CD1 4.48Å; A21-V33 WeakPolarHBondContact CA-O 3.37Å; A21-I34 HydrophobicContact CB-CG2 3.87Å; A21-P95 HydrophobicContact CB-CG 4.29Å; A21-P95 VanDerWaalsContact O-CD 3.26Å; A21-P95 WeakPolarHBondContact O-CD 3.43Å; A21-N98 PolarHBondContact O-ND2 3.02Å
22L96Very high90.8Very high1 Ų155.8 Ų55.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-126.3163.1174.1-67.6176.4000110.6L32 V33 W45 M59 Q63L22-L32 CarbonylContact O-C 3.56Å; L22-L32 WeakPolarHBondContact O-CA 3.16Å; L22-V33 PolarHBondContact N-O 3.1Å; L22-V33 PolarHBondContact O-N 3.34Å; L22-W45 HydrophobicContact CD1-CZ3 4.48Å; L22-W45 HydrophobicContact CG-CZ3 4.43Å; L22-M59 HydrophobicContact CB-CE 3.7Å; L22-M59 HydrophobicContact CD1-CE 3.47Å; L22-M59 VanDerWaalsContact CD1-CE 3.47Å; L22-M59 HydrophobicContact CG-CE 4.21Å; L22-Q63 HydrophobicContact CD1-CG 3.54Å; L22-Q63 HydrophobicContact CD2-CG 4.43Å; L22-Q63 HydrophobicContact CG-CG 4.24Å
23F96.2Very high92.3Very high52 Ų5254.4 Ų54.423%0.22828%0.28CS..EExtended strand (participates in β ladder)trans-69.6142.5172-66-54.3000111.9L32 P91 C94 P95F23-L32 HydrophobicContact CD1-CD2 4.26Å; F23-L32 HydrophobicContact CE1-CD2 4.44Å; F23-P91 WeakPolarHBondContact CE2-O 3.26Å; F23-P91 WeakPolarHBondContact CZ-O 3.42Å; F23-C94 VanDerWaalsContact CE2-O 3.28Å; F23-C94 WeakPolarHBondContact CE2-O 3.35Å; F23-C94 WeakPolarHBondContact CZ-O 3.48Å; F23-P95 HydrophobicContact CD1-CG 4.33Å; F23-P95 HydrophobicContact CE1-CG 4.15Å; F23-P95 HydrophobicContact CZ-CG 4.48Å
24C96.6Very high93.1Very high11 Ų1154.1 Ų54.17%0.07428%0.276CS..  trans-58.2140.9170.2-167.10000111.2E26 C29 G31 V33 C47C24-E26 VanDerWaalsContact SG-CB 3.57Å; C24-E26 PolarHBondContact SG-N 3.42Å; C24-E26 VanDerWaalsContact SG-N 3.43Å; C24-C29 HydrophobicContact CB-CB 4.09Å; C24-C29 VanDerWaalsContact SG-SG 3.67Å; C24-G31 WeakPolarHBondContact CB-O 3.38Å; C24-G31 PolarHBondContact N-O 2.67Å; C24-V33 VanDerWaalsContact CA-CG2 3.48Å; C24-V33 HydrophobicContact CB-CG2 3.85Å; C24-C47 VanDerWaalsContact SG-SG 3.63Å
25R94.1Very high93.7Very high87 Ų8752.1 Ų52.133%0.32827%0.269SS..  trans-1076.9178.2-57.5-58.9-171.4-173.8-3.1112.8F54 Y62R25-F54 HydrophobicContact CB-CE1 4.1Å; R25-Y62 HydrophobicContact CG-CD2 4.35Å; R25-Y62 HydrophobicContact CG-CE2 3.69Å; R25-Y62 VanDerWaalsContact NH2-CD1 3.34Å
26E96.6Very high94.1Very high81 Ų8149.5 Ų49.538%0.37926%0.256SS..SBendtrans-73.8140.2172.5-170.156.8-135.800110.5C24 G28 C29 N52 F54C24-E26 VanDerWaalsContact SG-CB 3.57Å; C24-E26 PolarHBondContact SG-N 3.42Å; C24-E26 VanDerWaalsContact SG-N 3.43Å; E26-G28 PolarHBondContact O-N 3.34Å; E26-C29 HydrophobicContact CB-CB 3.94Å; E26-C29 PolarHBondContact O-N 2.82Å; E26-C29 VanDerWaalsContact O-N 3.16Å; E26-N52 WeakPolarHBondContact CG-ND2 3.4Å; E26-N52 PolarHBondContact OE2-ND2 2.77Å; E26-F54 HydrophobicContact CB-CZ 4.36Å
27Q95.6Very high93.9Very high186 Ų18653.9 Ų53.987%0.86927%0.271SS*.THydrogen-bonded Turntrans-61.7129.3178.8-170.4177.915.400110.4C29Q27-C29 PolarHBondContact O-N 3.03Å
28G95.4Very high93.3Very high85 Ų8556.8 Ų56.888%0.87629%0.289SS*.THydrogen-bonded Turntrans79.2-3.918000000115.2E26E26-G28 PolarHBondContact O-N 3.34Å
29C97.1Very high92.6Very high22 Ų2265.7 Ų65.715%0.14932%0.322CS..  trans-96.5132.4176-1690000111.6C24 E26 Q27 G31 C47 C50C24-C29 HydrophobicContact CB-CB 4.09Å; C24-C29 VanDerWaalsContact SG-SG 3.67Å; E26-C29 HydrophobicContact CB-CB 3.94Å; E26-C29 PolarHBondContact O-N 2.82Å; E26-C29 VanDerWaalsContact O-N 3.16Å; Q27-C29 PolarHBondContact O-N 3.03Å; C29-G31 PolarHBondContact SG-N 3.1Å; C29-G31 VanDerWaalsContact SG-N 3.37Å; C29-C47 VanDerWaalsContact SG-SG 3.65Å; C29-C50 HydrophobicContact CB-CB 4.34Å
30R94.5Very high91.9Very high241 Ų24168.4 Ų68.491%0.90934%0.34SS*.  trans-110.116.5172.6-60.4-176.5-176.8-178.80.1112.8
31G95.9Very high91.5Very high5 Ų575.9 Ų75.95%0.05238%0.378CS..  trans-72.5174.3-176.300000113.8C24 C29 T49C24-G31 WeakPolarHBondContact CB-O 3.38Å; C24-G31 PolarHBondContact N-O 2.67Å; C29-G31 PolarHBondContact SG-N 3.1Å; C29-G31 VanDerWaalsContact SG-N 3.37Å; G31-T49 WeakPolarHBondContact CA-OG1 3.42Å
32L96.4Very high91.2Very high37 Ų3782.3 Ų82.319%0.19441%0.408CS..EExtended strand (participates in β ladder)trans-96.2143.7172.3-60.4-178.3000110.5Y18 A21 L22 F23 C47 I48 P95Y18-L32 HydrophobicContact CD1-CD1 4.47Å; Y18-L32 HydrophobicContact CD2-CD1 4.39Å; Y18-L32 HydrophobicContact CG-CD1 4.16Å; A21-L32 HydrophobicContact CB-CB 4.39Å; A21-L32 HydrophobicContact CB-CD1 4.48Å; L22-L32 CarbonylContact O-C 3.56Å; L22-L32 WeakPolarHBondContact O-CA 3.16Å; F23-L32 HydrophobicContact CD1-CD2 4.26Å; F23-L32 HydrophobicContact CE1-CD2 4.44Å; L32-C47 CarbonylContact O-C 3.52Å; L32-C47 VanDerWaalsContact O-CA 3.26Å; L32-C47 WeakPolarHBondContact O-CA 3.43Å; L32-I48 HydrophobicContact CB-CD1 3.94Å; L32-I48 HydrophobicContact CB-CG1 4.12Å; L32-I48 HydrophobicContact CD1-CD1 4.42Å; L32-I48 PolarHBondContact O-N 3.35Å; L32-P95 HydrophobicContact CD2-CB 3.97Å; L32-P95 HydrophobicContact CD2-CG 3.41Å; L32-P95 VanDerWaalsContact CD2-CG 3.41Å
33V96.2Very high91Very high0 Ų083.3 Ų83.30%041%0.414CS..EExtended strand (participates in β ladder)trans-113.5125.7175.1179.20000107.7A21 L22 C24 W45 R46 C47 F54 M59A21-V33 WeakPolarHBondContact CA-O 3.37Å; L22-V33 PolarHBondContact N-O 3.1Å; L22-V33 PolarHBondContact O-N 3.34Å; C24-V33 VanDerWaalsContact CA-CG2 3.48Å; C24-V33 HydrophobicContact CB-CG2 3.85Å; V33-W45 HydrophobicContact CG1-CB 3.45Å; V33-W45 VanDerWaalsContact CG1-CB 3.45Å; V33-W45 HydrophobicContact CG1-CE3 4.05Å; V33-W45 HydrophobicContact CG1-CG 4.37Å; V33-R46 WeakPolarHBondContact CA-O 3.42Å; V33-C47 HydrophobicContact CG2-CB 3.88Å; V33-F54 HydrophobicContact CG1-CD2 3.79Å; V33-F54 HydrophobicContact CG1-CE2 4.4Å; V33-F54 HydrophobicContact CG2-CD2 3.97Å; V33-F54 HydrophobicContact CG2-CE2 3.74Å; V33-M59 HydrophobicContact CB-CE 4.07Å; V33-M59 HydrophobicContact CG1-CE 3.76Å; V33-M59 HydrophobicContact CG1-SD 4.33Å
34I95Very high91Very high21 Ų2184.6 Ų84.611%0.10842%0.424CS..EExtended strand (participates in β ladder)trans-123.7156.1-178.562179.4000110.3P12 Y18 A21 W45 R46 I48P12-I34 HydrophobicContact CB-CB 4.48Å; P12-I34 HydrophobicContact CB-CD1 4.1Å; P12-I34 HydrophobicContact CB-CG1 4.34Å; Y18-I34 HydrophobicContact CD1-CG2 3.89Å; Y18-I34 HydrophobicContact CE1-CG2 4.44Å; A21-I34 HydrophobicContact CB-CG2 3.87Å; I34-W45 CarbonylContact O-C 3.59Å; I34-W45 WeakPolarHBondContact O-CA 3.39Å; I34-W45 WeakPolarHBondContact O-CB 3.41Å; I34-R46 PolarHBondContact N-O 3.1Å; I34-R46 PolarHBondContact O-N 3.18Å; I34-I48 HydrophobicContact CD1-CG2 3.64Å; I34-I48 HydrophobicContact CG1-CG2 3.92Å
35P92.9Very high90.9Very high26 Ų2684.3 Ų84.317%0.16942%0.421CS..EExtended strand (participates in β ladder)trans-55.6145.1173.1-21.432.4000110.7P12 P43 W45P12-P35 WeakPolarHBondContact CB-O 3.5Å; P12-P35 WeakPolarHBondContact CG-O 3.31Å; P35-P43 HydrophobicContact CB-CB 4.47Å; P35-P43 HydrophobicContact CB-CG 3.91Å; P35-W45 HydrophobicContact CB-CD2 4.49Å; P35-W45 HydrophobicContact CG-CD2 4.14Å; P35-W45 HydrophobicContact CG-CE3 4.16Å; P35-W45 HydrophobicContact CG-CH2 3.73Å; P35-W45 HydrophobicContact CG-CZ2 3.74Å; P35-W45 HydrophobicContact CG-CZ3 3.97Å
36V90.9Very high91.1Very high44 Ų4486 Ų8627%0.26743%0.427SS..  trans-79.2141.7167.2178.10000107.9T38 P43 D44 R46V36-T38 HydrophobicContact CB-CG2 4.31Å; V36-T38 HydrophobicContact CG1-CG2 4.12Å; V36-T38 PolarHBondContact O-N 3.41Å; V36-T38 VanDerWaalsContact O-N 3.11Å; V36-P43 WeakPolarHBondContact O-CB 3.38Å; V36-D44 WeakPolarHBondContact CB-O 3.37Å; V36-D44 WeakPolarHBondContact CG2-O 3.4Å; V36-D44 PolarHBondContact N-O 3.24Å; V36-R46 HydrophobicContact CG2-CB 3.78Å
37Q81Confident91.1Very high112 Ų11282.1 Ų82.152%0.52341%0.409SS..  trans-68.8114.2173.2-164.1168.56.100109.1P12P12-Q37 HydrophobicContact CG-CB 3.81Å
38T75.3Confident91.1Very high64 Ų6477.1 Ų77.139%0.39339%0.388SS..  trans-134.7171.9176.272.10000109.4V36 T40 P43V36-T38 HydrophobicContact CB-CG2 4.31Å; V36-T38 HydrophobicContact CG1-CG2 4.12Å; V36-T38 PolarHBondContact O-N 3.41Å; V36-T38 VanDerWaalsContact O-N 3.11Å; T38-T40 PolarHBondContact OG1-N 3.26Å; T38-T40 PolarHBondContact OG1-O 3.39Å; T38-T40 PolarHBondContact OG1-OG1 2.62Å; T38-P43 HydrophobicContact CG2-CB 4.03Å
39R78.3Confident91.1Very high260 Ų26077.7 Ų77.798%0.98137%0.374SS*.SBendtrans-89.813.1166.5-61.9-176.6-179.2177.80.2112.1
40T79.9Confident91.2Very high85 Ų8578.8 Ų78.852%0.52138%0.381SS..SBendtrans-104147.4-176.965.80000110.3T38 Q42T38-T40 PolarHBondContact OG1-N 3.26Å; T38-T40 PolarHBondContact OG1-O 3.39Å; T38-T40 PolarHBondContact OG1-OG1 2.62Å; T40-Q42 PolarHBondContact O-N 3.09Å
41L82.3Confident91.3Very high174 Ų17474 Ų7491%0.91137%0.37SS*.SBendtrans-70.4-18.7176.2-67.1173.6000113P43L41-P43 VanDerWaalsContact C-CD 3.44Å; L41-P43 WeakPolarHBondContact O-CD 3.39Å
42Q89.9Confident91.4Very high135 Ų13576.6 Ų76.663%0.63138%0.382SS*.SBendtrans-124.271.1-177-66.9-174.9-26.900109.1T40 H56T40-Q42 PolarHBondContact O-N 3.09Å; Q42-H56 HydrophobicContact CB-CB 4.19Å
43P91.6Very high91.4Very high22 Ų2278.5 Ų78.514%0.14340%0.395CS..  trans-68.1143.6177.529.3-34.9000110.1P35 V36 T38 L41 W45 H56P35-P43 HydrophobicContact CB-CB 4.47Å; P35-P43 HydrophobicContact CB-CG 3.91Å; V36-P43 WeakPolarHBondContact O-CB 3.38Å; T38-P43 HydrophobicContact CG2-CB 4.03Å; L41-P43 VanDerWaalsContact C-CD 3.44Å; L41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-W45 PolarHBondContact O-NE1 3.02Å; P43-H56 WeakPolarHBondContact O-CB 3.49Å; P43-H56 PolarHBondContact O-ND1 3.47Å
44D94.9Very high91.4Very high78 Ų7879 Ų7942%0.41740%0.397SS..  trans-65.2165.1159.1-73.2-20000110V36 V53 P55 H56V36-D44 WeakPolarHBondContact CB-O 3.37Å; V36-D44 WeakPolarHBondContact CG2-O 3.4Å; V36-D44 PolarHBondContact N-O 3.24Å; D44-V53 HydrophobicContact CB-CG1 3.87Å; D44-P55 VanDerWaalsContact OD1-CA 3.28Å; D44-P55 WeakPolarHBondContact OD1-CA 3.19Å; D44-H56 PolarHBondContact OD1-N 3.23Å
45W96.3Very high91.5Very high6 Ų681.5 Ų81.52%0.02342%0.415CS..EExtended strand (participates in β ladder)trans-121.5147.3-173.4-65.154.6000110.7S20 L22 V33 I34 P35 P43 V53 F54 M59 Q63S20-W45 VanDerWaalsContact O-CH2 3.27Å; S20-W45 WeakPolarHBondContact O-CH2 3.26Å; S20-W45 VanDerWaalsContact O-CZ3 3.26Å; S20-W45 WeakPolarHBondContact O-CZ3 3.27Å; L22-W45 HydrophobicContact CD1-CZ3 4.48Å; L22-W45 HydrophobicContact CG-CZ3 4.43Å; V33-W45 HydrophobicContact CG1-CB 3.45Å; V33-W45 VanDerWaalsContact CG1-CB 3.45Å; V33-W45 HydrophobicContact CG1-CE3 4.05Å; V33-W45 HydrophobicContact CG1-CG 4.37Å; I34-W45 CarbonylContact O-C 3.59Å; I34-W45 WeakPolarHBondContact O-CA 3.39Å; I34-W45 WeakPolarHBondContact O-CB 3.41Å; P35-W45 HydrophobicContact CB-CD2 4.49Å; P35-W45 HydrophobicContact CG-CD2 4.14Å; P35-W45 HydrophobicContact CG-CE3 4.16Å; P35-W45 HydrophobicContact CG-CH2 3.73Å; P35-W45 HydrophobicContact CG-CZ2 3.74Å; P35-W45 HydrophobicContact CG-CZ3 3.97Å; P43-W45 PolarHBondContact O-NE1 3.02Å; W45-V53 CarbonylContact O-C 3.46Å; W45-V53 VanDerWaalsContact O-CA 3.23Å; W45-V53 WeakPolarHBondContact O-CA 3.45Å; W45-F54 PolarHBondContact N-O 2.83Å; W45-F54 PolarHBondContact O-N 2.97Å; W45-M59 HydrophobicContact CB-CG 3.74Å; W45-M59 HydrophobicContact CD2-CB 3.75Å; W45-M59 HydrophobicContact CD2-CG 3.89Å; W45-M59 HydrophobicContact CE3-CB 4.41Å; W45-M59 HydrophobicContact CE3-CE 4.38Å; W45-M59 HydrophobicContact CE3-CG 4.47Å; W45-M59 HydrophobicContact CG-CB 3.77Å; W45-M59 HydrophobicContact CG-CG 3.53Å; W45-M59 HydrophobicContact CZ2-CB 4.43Å; W45-Q63 HydrophobicContact CH2-CG 4.34Å
46R96.3Very high91.6Very high121 Ų12182.2 Ų82.246%0.45742%0.416SS..EExtended strand (participates in β ladder)trans-124.1134.9-178.2-174.3179.7-63.9-155.8-0.6111.1V33 I34 V36 N52 V53V33-R46 WeakPolarHBondContact CA-O 3.42Å; I34-R46 PolarHBondContact N-O 3.1Å; I34-R46 PolarHBondContact O-N 3.18Å; V36-R46 HydrophobicContact CG2-CB 3.78Å; R46-N52 WeakPolarHBondContact CA-O 3.23Å; R46-V53 HydrophobicContact CG-CG2 4.47Å
47C97.3Very high91.8Very high0 Ų083.2 Ų83.20%043%0.429CS..EExtended strand (participates in β ladder)trans-70.4128.5168.5-174.30000110.6C24 C29 L32 V33 T49 C50 E51 N52 F54C24-C47 VanDerWaalsContact SG-SG 3.63Å; C29-C47 VanDerWaalsContact SG-SG 3.65Å; L32-C47 CarbonylContact O-C 3.52Å; L32-C47 VanDerWaalsContact O-CA 3.26Å; L32-C47 WeakPolarHBondContact O-CA 3.43Å; V33-C47 HydrophobicContact CG2-CB 3.88Å; C47-T49 PolarHBondContact O-N 2.79Å; C47-T49 PolarHBondContact SG-N 3.05Å; C47-T49 VanDerWaalsContact SG-N 3.4Å; C47-C50 PolarHBondContact SG-N 2.83Å; C47-C50 VanDerWaalsContact SG-N 3.42Å; C47-E51 WeakPolarHBondContact O-CA 3.4Å; C47-E51 PolarHBondContact O-N 2.85Å; C47-E51 VanDerWaalsContact O-N 3.07Å; C47-N52 PolarHBondContact N-O 2.89Å; C47-F54 HydrophobicContact CB-CE2 4.29Å
48I95.3Very high92.5Very high82 Ų8282 Ų8242%0.42142%0.422SS..THydrogen-bonded Turntrans-78-2.6177.467.1176.5000113.4Y18 L32 I34Y18-I48 HydrophobicContact CE1-CD1 4.12Å; L32-I48 HydrophobicContact CB-CD1 3.94Å; L32-I48 HydrophobicContact CB-CG1 4.12Å; L32-I48 HydrophobicContact CD1-CD1 4.42Å; L32-I48 PolarHBondContact O-N 3.35Å; I34-I48 HydrophobicContact CD1-CG2 3.64Å; I34-I48 HydrophobicContact CG1-CG2 3.92Å
49T96.8Very high93.5Very high97 Ų9779 Ų7960%0.59540%0.403SS*.THydrogen-bonded Turntrans-110.9-49.9-178.8-530000112.4G31 C47G31-T49 WeakPolarHBondContact CA-OG1 3.42Å; C47-T49 PolarHBondContact O-N 2.79Å; C47-T49 PolarHBondContact SG-N 3.05Å; C47-T49 VanDerWaalsContact SG-N 3.4Å
50C97.6Very high94.2Very high44 Ų4467.5 Ų67.530%0.29736%0.364SS..THydrogen-bonded Turntrans-108.74-177.974.20000113.4C29 C47 N52C29-C50 HydrophobicContact CB-CB 4.34Å; C47-C50 PolarHBondContact SG-N 2.83Å; C47-C50 VanDerWaalsContact SG-N 3.42Å; C50-N52 PolarHBondContact O-N 3.43Å
51E96.8Very high95Very high141 Ų14170.7 Ų70.766%0.65937%0.371SS*.  trans60.3-1.3177.3-55.4-168.3159.500117C47 V53C47-E51 WeakPolarHBondContact O-CA 3.4Å; C47-E51 PolarHBondContact O-N 2.85Å; C47-E51 VanDerWaalsContact O-N 3.07Å; E51-V53 PolarHBondContact O-N 2.93Å
52N97.5Very high95.6Very high60 Ų6065.8 Ų65.832%0.32134%0.341SS..  trans-56.7137.8175.7-78.9-4.2000111.8E26 R46 C47 C50 F54E26-N52 WeakPolarHBondContact CG-ND2 3.4Å; E26-N52 PolarHBondContact OE2-ND2 2.77Å; R46-N52 WeakPolarHBondContact CA-O 3.23Å; C47-N52 PolarHBondContact N-O 2.89Å; C50-N52 PolarHBondContact O-N 3.43Å; N52-F54 HydrophobicContact CB-CE2 3.93Å; N52-F54 HydrophobicContact CB-CZ 4.03Å; N52-F54 WeakPolarHBondContact O-CE2 3.41Å
53V96.6Very high95.7Very high77 Ų7761.3 Ų61.347%0.46732%0.32SS..EExtended strand (participates in β ladder)trans-100.7130.6179.6-178.60000109.5D44 W45 R46 E51D44-V53 HydrophobicContact CB-CG1 3.87Å; W45-V53 CarbonylContact O-C 3.46Å; W45-V53 VanDerWaalsContact O-CA 3.23Å; W45-V53 WeakPolarHBondContact O-CA 3.45Å; R46-V53 HydrophobicContact CG-CG2 4.47Å; E51-V53 PolarHBondContact O-N 2.93Å
54F96.9Very high95.9Very high9 Ų964.3 Ų64.34%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-115.2132.5-179.1-60.9-88.1000109.5R25 E26 V33 W45 C47 N52 K58 M59R25-F54 HydrophobicContact CB-CE1 4.1Å; E26-F54 HydrophobicContact CB-CZ 4.36Å; V33-F54 HydrophobicContact CG1-CD2 3.79Å; V33-F54 HydrophobicContact CG1-CE2 4.4Å; V33-F54 HydrophobicContact CG2-CD2 3.97Å; V33-F54 HydrophobicContact CG2-CE2 3.74Å; W45-F54 PolarHBondContact N-O 2.83Å; W45-F54 PolarHBondContact O-N 2.97Å; C47-F54 HydrophobicContact CB-CE2 4.29Å; N52-F54 HydrophobicContact CB-CE2 3.93Å; N52-F54 HydrophobicContact CB-CZ 4.03Å; N52-F54 WeakPolarHBondContact O-CE2 3.41Å; F54-K58 HydrophobicContact CD1-CD 4.24Å; F54-M59 HydrophobicContact CB-CG 3.73Å; F54-M59 HydrophobicContact CB-SD 3.64Å; F54-M59 HydrophobicContact CD1-SD 4.47Å; F54-M59 HydrophobicContact CG-SD 4.02Å
55P96.3Very high95.9Very high74 Ų7465.8 Ų65.848%0.48134%0.338SS..  trans-59.9143.5177.9-25.834.6000112.5D44 A57 K58 M59D44-P55 VanDerWaalsContact OD1-CA 3.28Å; D44-P55 WeakPolarHBondContact OD1-CA 3.19Å; P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 3.15Å; P55-K58 WeakPolarHBondContact O-CB 3.25Å; P55-K58 PolarHBondContact O-N 3.04Å; P55-M59 PolarHBondContact O-N 3.27Å
56H95.3Very high95.7Very high42 Ų4265.6 Ų65.619%0.19434%0.337CS..Hα-helixtrans-45.5-51.2175.3178.177000112.7Q42 P43 D44 K58 M59 A60Q42-H56 HydrophobicContact CB-CB 4.19Å; P43-H56 WeakPolarHBondContact O-CB 3.49Å; P43-H56 PolarHBondContact O-ND1 3.47Å; D44-H56 PolarHBondContact OD1-N 3.23Å; H56-K58 PolarHBondContact O-N 2.97Å; H56-K58 VanDerWaalsContact O-N 3.15Å; H56-M59 PolarHBondContact O-N 3.2Å; H56-A60 WeakPolarHBondContact O-CB 3.49Å; H56-A60 PolarHBondContact O-N 2.89Å
57A96.1Very high95.5Very high64 Ų6461.9 Ų61.953%0.52933%0.326SS..Hα-helixtrans-60.8-27-177.100000113.9P55 K61P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 3.15Å; A57-K61 WeakPolarHBondContact O-CG 3.49Å
58K95.4Very high95.4Very high86 Ų8666.1 Ų66.137%0.37435%0.349SS..Hα-helixtrans-75.5-44.2174.6-178.8175178.3179.30110.4F54 P55 H56 Y62F54-K58 HydrophobicContact CD1-CD 4.24Å; P55-K58 WeakPolarHBondContact O-CB 3.25Å; P55-K58 PolarHBondContact O-N 3.04Å; H56-K58 PolarHBondContact O-N 2.97Å; H56-K58 VanDerWaalsContact O-N 3.15Å; K58-Y62 HydrophobicContact CG-CD2 4.43Å; K58-Y62 HydrophobicContact CG-CE2 3.86Å; K58-Y62 WeakPolarHBondContact O-CD2 3.45Å
59M95.4Very high95.3Very high1 Ų164.2 Ų64.21%0.00534%0.341CS..Hα-helixtrans-72.5-38.1-177.9-62.3-45.6-66.100112.6L22 V33 W45 F54 P55 H56 K61 Y62 Q63L22-M59 HydrophobicContact CB-CE 3.7Å; L22-M59 HydrophobicContact CD1-CE 3.47Å; L22-M59 VanDerWaalsContact CD1-CE 3.47Å; L22-M59 HydrophobicContact CG-CE 4.21Å; V33-M59 HydrophobicContact CB-CE 4.07Å; V33-M59 HydrophobicContact CG1-CE 3.76Å; V33-M59 HydrophobicContact CG1-SD 4.33Å; W45-M59 HydrophobicContact CB-CG 3.74Å; W45-M59 HydrophobicContact CD2-CB 3.75Å; W45-M59 HydrophobicContact CD2-CG 3.89Å; W45-M59 HydrophobicContact CE3-CB 4.41Å; W45-M59 HydrophobicContact CE3-CE 4.38Å; W45-M59 HydrophobicContact CE3-CG 4.47Å; W45-M59 HydrophobicContact CG-CB 3.77Å; W45-M59 HydrophobicContact CG-CG 3.53Å; W45-M59 HydrophobicContact CZ2-CB 4.43Å; F54-M59 HydrophobicContact CB-CG 3.73Å; F54-M59 HydrophobicContact CB-SD 3.64Å; F54-M59 HydrophobicContact CD1-SD 4.47Å; F54-M59 HydrophobicContact CG-SD 4.02Å; P55-M59 PolarHBondContact O-N 3.27Å; H56-M59 PolarHBondContact O-N 3.2Å; M59-K61 VanDerWaalsContact C-N 3.29Å; M59-K61 PolarHBondContact O-N 2.82Å; M59-Y62 HydrophobicContact CE-CD2 4.42Å; M59-Y62 PolarHBondContact O-N 2.76Å; M59-Y62 HydrophobicContact SD-CD2 4.11Å; M59-Q63 PolarHBondContact O-N 3.23Å
60A94.3Very high95.1Very high20 Ų2059.6 Ų59.617%0.16531%0.313CS..Hα-helixtrans-53.8-44.8173.500000111.8H56 Y62 Q63 D64H56-A60 WeakPolarHBondContact O-CB 3.49Å; H56-A60 PolarHBondContact O-N 2.89Å; A60-Y62 VanDerWaalsContact C-N 3.29Å; A60-Y62 PolarHBondContact O-N 3.32Å; A60-Q63 WeakPolarHBondContact O-CB 3.46Å; A60-Q63 PolarHBondContact O-N 3.41Å; A60-Q63 VanDerWaalsContact O-N 3.1Å; A60-D64 VanDerWaalsContact O-CG 3.26Å; A60-D64 PolarHBondContact O-N 3.29Å
61K95.6Very high94.7Very high151 Ų15159.5 Ų59.566%0.65731%0.309SS*.Hα-helixtrans-59.8-36.2176.1-70.5175.9-177.5-176.60113.5A57 M59 F65A57-K61 WeakPolarHBondContact O-CG 3.49Å; M59-K61 VanDerWaalsContact C-N 3.29Å; M59-K61 PolarHBondContact O-N 2.82Å; K61-F65 WeakPolarHBondContact O-CB 3.45Å; K61-F65 PolarHBondContact O-N 3.05Å
62Y94.8Very high94.5Very high72 Ų7258 Ų5828%0.28231%0.306SS..Hα-helixtrans-73.5-36176.3-70.9-61.7000112.1R25 K58 M59 A60 A66R25-Y62 HydrophobicContact CG-CD2 4.35Å; R25-Y62 HydrophobicContact CG-CE2 3.69Å; R25-Y62 VanDerWaalsContact NH2-CD1 3.34Å; K58-Y62 HydrophobicContact CG-CD2 4.43Å; K58-Y62 HydrophobicContact CG-CE2 3.86Å; K58-Y62 WeakPolarHBondContact O-CD2 3.45Å; M59-Y62 HydrophobicContact CE-CD2 4.42Å; M59-Y62 PolarHBondContact O-N 2.76Å; M59-Y62 HydrophobicContact SD-CD2 4.11Å; A60-Y62 VanDerWaalsContact C-N 3.29Å; A60-Y62 PolarHBondContact O-N 3.32Å; Y62-A66 PolarHBondContact O-N 3.43Å; Y62-A66 VanDerWaalsContact O-N 3.09Å
63Q93.5Very high94.1Very high41 Ų4161 Ų6119%0.19231%0.313CS..Hα-helixtrans-62.6-50172-65.2-174.7-63.600110.4L22 W45 M59 A60 F65 A66 L67L22-Q63 HydrophobicContact CD1-CG 3.54Å; L22-Q63 HydrophobicContact CD2-CG 4.43Å; L22-Q63 HydrophobicContact CG-CG 4.24Å; W45-Q63 HydrophobicContact CH2-CG 4.34Å; M59-Q63 PolarHBondContact O-N 3.23Å; A60-Q63 WeakPolarHBondContact O-CB 3.46Å; A60-Q63 PolarHBondContact O-N 3.41Å; A60-Q63 VanDerWaalsContact O-N 3.1Å; Q63-F65 VanDerWaalsContact C-N 3.3Å; Q63-F65 PolarHBondContact O-N 2.88Å; Q63-A66 PolarHBondContact O-N 3.49Å; Q63-L67 WeakPolarHBondContact O-CB 3.46Å; Q63-L67 PolarHBondContact O-N 3.38Å
64D94.9Very high93.7Very high84 Ų8458.1 Ų58.145%0.44929%0.294SS..Hα-helixtrans-58.8-41.8178.2-67.3-23.5000111.6A60 N68A60-D64 VanDerWaalsContact O-CG 3.26Å; A60-D64 PolarHBondContact O-N 3.29Å; D64-N68 VanDerWaalsContact O-CB 3.25Å; D64-N68 WeakPolarHBondContact O-CB 3.16Å; D64-N68 PolarHBondContact O-N 3.49Å; D64-N68 PolarHBondContact O-ND2 3.39Å
65F93.9Very high92.9Very high110 Ų11064.3 Ų64.348%0.48233%0.328SS..Hα-helixtrans-60.5-48.9176.1174.5-95.8000111.9K61 Q63 T69 F93K61-F65 WeakPolarHBondContact O-CB 3.45Å; K61-F65 PolarHBondContact O-N 3.05Å; Q63-F65 VanDerWaalsContact C-N 3.3Å; Q63-F65 PolarHBondContact O-N 2.88Å; F65-T69 VanDerWaalsContact O-CB 3.26Å; F65-T69 WeakPolarHBondContact O-CB 3.48Å; F65-T69 PolarHBondContact O-N 2.92Å; F65-T69 PolarHBondContact O-OG1 2.92Å; F65-F93 HydrophobicContact CE1-CB 4.21Å; F65-F93 HydrophobicContact CE1-CG 4.38Å
66A92.8Very high92.4Very high1 Ų165 Ų651%0.00833%0.334CS..Hα-helixtrans-63.1-47.1179.300000111.2Y62 Q63 T69 I70 F93Y62-A66 PolarHBondContact O-N 3.43Å; Y62-A66 VanDerWaalsContact O-N 3.09Å; Q63-A66 PolarHBondContact O-N 3.49Å; A66-T69 PolarHBondContact O-N 2.92Å; A66-I70 WeakPolarHBondContact O-CB 3.49Å; A66-I70 WeakPolarHBondContact O-CG1 3.31Å; A66-I70 PolarHBondContact O-N 3.45Å; A66-F93 HydrophobicContact CB-CD2 3.99Å; A66-F93 HydrophobicContact CB-CE2 4.3Å
67L93.4Very high92Very high43 Ų4363.8 Ų63.823%0.22533%0.331CS..Hα-helixtrans-56.2-54.6177.8-176.767000111.5Q63 T69 I70 N71 Y99 V100Q63-L67 WeakPolarHBondContact O-CB 3.46Å; Q63-L67 PolarHBondContact O-N 3.38Å; L67-T69 PolarHBondContact O-N 3.13Å; L67-I70 PolarHBondContact O-N 3.16Å; L67-N71 VanDerWaalsContact CD1-ND2 3.26Å; L67-N71 WeakPolarHBondContact CD1-ND2 3.4Å; L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.4Å; L67-N71 VanDerWaalsContact O-CG 3.3Å; L67-N71 PolarHBondContact O-N 3.03Å; L67-Y99 HydrophobicContact CD1-CE2 4.43Å; L67-V100 HydrophobicContact CB-CG2 4.33Å; L67-V100 HydrophobicContact CD1-CG1 4.09Å; L67-V100 HydrophobicContact CD1-CG2 3.89Å
68N93.9Very high91.8Very high90 Ų9062.6 Ų62.648%0.48132%0.318SS..Hα-helixtrans-64.5-41.8-178.3-71.3-38.9000111.9D64 N72D64-N68 VanDerWaalsContact O-CB 3.25Å; D64-N68 WeakPolarHBondContact O-CB 3.16Å; D64-N68 PolarHBondContact O-N 3.49Å; D64-N68 PolarHBondContact O-ND2 3.39Å; N68-N72 VanDerWaalsContact O-CB 3.23Å; N68-N72 WeakPolarHBondContact O-CB 3.34Å; N68-N72 PolarHBondContact O-N 3.08Å; N68-N72 PolarHBondContact O-ND2 3.31Å
69T93Very high91.6Very high41 Ų4159 Ų5925%0.25230%0.303SS..Hα-helixtrans-65.2-45.1-178.5-550000111.2F65 A66 L67 R73 F85F65-T69 VanDerWaalsContact O-CB 3.26Å; F65-T69 WeakPolarHBondContact O-CB 3.48Å; F65-T69 PolarHBondContact O-N 2.92Å; F65-T69 PolarHBondContact O-OG1 2.92Å; A66-T69 PolarHBondContact O-N 2.92Å; L67-T69 PolarHBondContact O-N 3.13Å; T69-R73 PolarHBondContact O-N 3.48Å; T69-F85 HydrophobicContact CG2-CE2 4.45Å; T69-F85 HydrophobicContact CG2-CZ 3.94Å
70I92.6Very high91.5Very high1 Ų163.7 Ų63.71%0.00533%0.325CS..Hα-helixtrans-70.2-49.6179.7-68.2168.8000110.6A66 L67 N72 R73 I74 F85 F93 V100 A104A66-I70 WeakPolarHBondContact O-CB 3.49Å; A66-I70 WeakPolarHBondContact O-CG1 3.31Å; A66-I70 PolarHBondContact O-N 3.45Å; L67-I70 PolarHBondContact O-N 3.16Å; I70-N72 VanDerWaalsContact C-N 3.3Å; I70-N72 PolarHBondContact O-N 3.31Å; I70-R73 WeakPolarHBondContact O-CA 3.31Å; I70-R73 WeakPolarHBondContact O-CB 3.49Å; I70-R73 PolarHBondContact O-N 3.16Å; I70-I74 HydrophobicContact CG2-CD1 3.65Å; I70-I74 HydrophobicContact CG2-CG1 4.05Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 3.4Å; I70-F85 HydrophobicContact CG1-CE1 4.01Å; I70-F93 HydrophobicContact CD1-CE2 3.66Å; I70-F93 HydrophobicContact CD1-CZ 4.24Å; I70-F93 HydrophobicContact CG1-CE2 3.76Å; I70-F93 HydrophobicContact CG1-CZ 3.91Å; I70-V100 HydrophobicContact CB-CG1 3.61Å; I70-V100 HydrophobicContact CD1-CB 3.91Å; I70-V100 HydrophobicContact CD1-CG1 3.43Å; I70-V100 VanDerWaalsContact CD1-CG1 3.43Å; I70-V100 HydrophobicContact CG1-CG1 4.07Å; I70-V100 HydrophobicContact CG2-CG1 3.77Å; I70-A104 HydrophobicContact CG2-CB 3.76Å
71N90.7Very high91.5Very high42 Ų4267.2 Ų67.223%0.22534%0.341CS..Hα-helixtrans-63.4-35.7-176.3-74.5-5.5000112.9L67 R73 I74 N75L67-N71 VanDerWaalsContact CD1-ND2 3.26Å; L67-N71 WeakPolarHBondContact CD1-ND2 3.4Å; L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.4Å; L67-N71 VanDerWaalsContact O-CG 3.3Å; L67-N71 PolarHBondContact O-N 3.03Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 PolarHBondContact O-N 3.12Å; N71-I74 PolarHBondContact O-N 3.3Å; N71-N75 PolarHBondContact O-N 3.42Å; N71-N75 PolarHBondContact O-ND2 3.42Å
72N91.1Very high91.4Very high110 Ų11060.1 Ų60.159%0.58831%0.31SS*.Hα-helixtrans-62.1-36.8174.3-74.4-22000111.7N68 I70 S76N68-N72 VanDerWaalsContact O-CB 3.23Å; N68-N72 WeakPolarHBondContact O-CB 3.34Å; N68-N72 PolarHBondContact O-N 3.08Å; N68-N72 PolarHBondContact O-ND2 3.31Å; I70-N72 VanDerWaalsContact C-N 3.3Å; I70-N72 PolarHBondContact O-N 3.31Å; N72-S76 WeakPolarHBondContact O-CB 3.18Å; N72-S76 PolarHBondContact O-OG 3.01Å; N72-S76 VanDerWaalsContact O-OG 3.12Å
73R89.6Confident91.5Very high123 Ų12357.1 Ų57.146%0.46430%0.299SS..Hα-helixtrans-72.6-43.5175.5-71.5-64.7-168.6-168.82.7112.1T69 I70 N71 N75 S76 C77 F85T69-R73 PolarHBondContact O-N 3.48Å; I70-R73 WeakPolarHBondContact O-CA 3.31Å; I70-R73 WeakPolarHBondContact O-CB 3.49Å; I70-R73 PolarHBondContact O-N 3.16Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 PolarHBondContact O-N 3.12Å; R73-N75 PolarHBondContact O-N 3.44Å; R73-N75 VanDerWaalsContact O-N 3.15Å; R73-S76 PolarHBondContact O-N 3.12Å; R73-C77 PolarHBondContact O-N 2.77Å; R73-C77 PolarHBondContact O-SG 2.87Å; R73-F85 HydrophobicContact CB-CD1 4.15Å; R73-F85 HydrophobicContact CB-CE1 4.13Å; R73-F85 HydrophobicContact CG-CD1 4.13Å; R73-F85 HydrophobicContact CG-CD2 4.08Å; R73-F85 HydrophobicContact CG-CE1 3.96Å; R73-F85 HydrophobicContact CG-CE2 3.95Å; R73-F85 HydrophobicContact CG-CG 4.2Å; R73-F85 HydrophobicContact CG-CZ 3.9Å
74I87.3Confident91.6Very high16 Ų1660.6 Ų60.68%0.08232%0.315CS..Hα-helixtrans-50.5-44.2-179.8-72.4173.6000111.4I70 N71 M82 A104 N107I70-I74 HydrophobicContact CG2-CD1 3.65Å; I70-I74 HydrophobicContact CG2-CG1 4.05Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 3.4Å; N71-I74 PolarHBondContact O-N 3.3Å; I74-M82 VanDerWaalsContact CA-CE 3.47Å; I74-M82 HydrophobicContact CB-CE 4.29Å; I74-M82 HydrophobicContact CG1-CE 4.33Å; I74-M82 HydrophobicContact CG1-SD 4.26Å; I74-M82 HydrophobicContact CG2-CE 4.45Å; I74-M82 WeakPolarHBondContact O-CE 3.43Å; I74-A104 HydrophobicContact CD1-CB 3.87Å; I74-A104 HydrophobicContact CG1-CB 4.22Å; I74-N107 HydrophobicContact CG2-CB 4.2Å
75N80.2Confident91.6Very high138 Ų13857.3 Ų57.374%0.73830%0.297SS*.THydrogen-bonded Turntrans-83.8-10.1-174.4-66.5-56.9000114.6N71 R73N71-N75 PolarHBondContact O-N 3.42Å; N71-N75 PolarHBondContact O-ND2 3.42Å; R73-N75 PolarHBondContact O-N 3.44Å; R73-N75 VanDerWaalsContact O-N 3.15Å
76S85.8Confident91.6Very high89 Ų8952.3 Ų52.362%0.62228%0.275SS*.THydrogen-bonded Turntrans-125.9-9.3-165.987.50000115.7N72 R73N72-S76 WeakPolarHBondContact O-CB 3.18Å; N72-S76 PolarHBondContact O-OG 3.01Å; N72-S76 VanDerWaalsContact O-OG 3.12Å; R73-S76 PolarHBondContact O-N 3.12Å
77C87.6Confident91.8Very high17 Ų1753.8 Ų53.812%0.11528%0.283CS..SBendtrans-121164.6-172.3770000114.6R73 D81 R111R73-C77 PolarHBondContact O-N 2.77Å; R73-C77 PolarHBondContact O-SG 2.87Å; C77-D81 HydrophobicContact CB-CB 3.72Å; C77-R111 PolarHBondContact O-NH1 3.48Å; C77-R111 PolarHBondContact O-NH2 3.3Å
78S91.6Very high91.8Very high38 Ų3857.6 Ų57.627%0.26630%0.3SS..  trans-65.2166.4172.870.30000111.1Q80 D81 M82S78-Q80 VanDerWaalsContact C-N 3.3Å; S78-D81 PolarHBondContact N-OD2 3.24Å; S78-D81 PolarHBondContact O-N 2.91Å; S78-D81 WeakPolarHBondContact OG-CB 3.26Å; S78-D81 PolarHBondContact OG-N 3.43Å; S78-D81 PolarHBondContact OG-OD2 3.43Å; S78-M82 WeakPolarHBondContact O-CB 3.5Å; S78-M82 PolarHBondContact O-N 3.14Å
79V92.3Very high91.8Very high10 Ų1056.2 Ų56.26%0.06129%0.292CS..Hα-helixtrans-61.4-42.4173.3172.80000110.3M82 I83 V108 R111 M112 Y120V79-M82 WeakPolarHBondContact O-CB 3.5Å; V79-M82 PolarHBondContact O-N 3.13Å; V79-M82 VanDerWaalsContact O-N 3.14Å; V79-I83 HydrophobicContact CG1-CD1 3.89Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.27Å; V79-I83 PolarHBondContact O-N 3.07Å; V79-V108 HydrophobicContact CG1-CG1 4.23Å; V79-R111 HydrophobicContact CG2-CB 3.71Å; V79-M112 HydrophobicContact CG1-CG 3.59Å; V79-M112 HydrophobicContact CG1-SD 3.82Å; V79-Y120 HydrophobicContact CB-CE1 4.4Å; V79-Y120 HydrophobicContact CG1-CE1 4.24Å
80Q92.6Very high91.8Very high101 Ų10154.2 Ų54.247%0.47228%0.28SS..Hα-helixtrans-57-51.3176.5-75.3129-700112.7S78 M82 I83 H84 E124S78-Q80 VanDerWaalsContact C-N 3.3Å; Q80-M82 PolarHBondContact O-N 2.86Å; Q80-I83 PolarHBondContact O-N 2.85Å; Q80-H84 PolarHBondContact O-N 3.47Å; Q80-E124 WeakPolarHBondContact CG-OE1 3.16Å; Q80-E124 PolarHBondContact NE2-OE1 3.4Å
81D93.9Very high91.8Very high93 Ų9357.6 Ų57.650%0.49730%0.301SS..Hα-helixtrans-61.3-35.1178.1-65.8-42.2000111.1C77 S78 F85C77-D81 HydrophobicContact CB-CB 3.72Å; S78-D81 PolarHBondContact N-OD2 3.24Å; S78-D81 PolarHBondContact O-N 2.91Å; S78-D81 WeakPolarHBondContact OG-CB 3.26Å; S78-D81 PolarHBondContact OG-N 3.43Å; S78-D81 PolarHBondContact OG-OD2 3.43Å; D81-F85 WeakPolarHBondContact O-CB 3.18Å; D81-F85 PolarHBondContact O-N 2.87Å
82M94.8Very high91.7Very high2 Ų264.7 Ų64.71%0.0133%0.325CS..Hα-helixtrans-69.6-44.2178.4-165.5171.8-54.100111.8I74 S78 V79 Q80 F85 I86 N107 V108 R111I74-M82 VanDerWaalsContact CA-CE 3.47Å; I74-M82 HydrophobicContact CB-CE 4.29Å; I74-M82 HydrophobicContact CG1-CE 4.33Å; I74-M82 HydrophobicContact CG1-SD 4.26Å; I74-M82 HydrophobicContact CG2-CE 4.45Å; I74-M82 WeakPolarHBondContact O-CE 3.43Å; S78-M82 WeakPolarHBondContact O-CB 3.5Å; S78-M82 PolarHBondContact O-N 3.14Å; V79-M82 WeakPolarHBondContact O-CB 3.5Å; V79-M82 PolarHBondContact O-N 3.13Å; V79-M82 VanDerWaalsContact O-N 3.14Å; Q80-M82 PolarHBondContact O-N 2.86Å; M82-F85 PolarHBondContact O-N 2.75Å; M82-I86 HydrophobicContact CG-CD1 3.88Å; M82-I86 HydrophobicContact CG-CG1 4.39Å; M82-I86 WeakPolarHBondContact O-CB 3.26Å; M82-I86 VanDerWaalsContact O-CG1 3.22Å; M82-I86 WeakPolarHBondContact O-CG1 3.45Å; M82-I86 PolarHBondContact O-N 2.88Å; M82-N107 WeakPolarHBondContact CE-OD1 3.48Å; M82-N107 HydrophobicContact SD-CB 4.19Å; M82-V108 HydrophobicContact CB-CG2 4.06Å; M82-V108 HydrophobicContact CG-CG2 3.67Å; M82-V108 HydrophobicContact SD-CG2 3.56Å; M82-V108 VanDerWaalsContact SD-CG2 3.56Å; M82-R111 VanDerWaalsContact CE-NH1 3.3Å
83I95.8Very high91.5Very high10 Ų1060.6 Ų60.65%0.05130%0.302CS..Hα-helixtrans-58.7-49.2174.7-71.7171.1000109.9V79 Q80 F85 I86 N87 V108 M112 E124 H127 Y131V79-I83 HydrophobicContact CG1-CD1 3.89Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.27Å; V79-I83 PolarHBondContact O-N 3.07Å; Q80-I83 PolarHBondContact O-N 2.85Å; I83-F85 VanDerWaalsContact C-N 3.35Å; I83-F85 PolarHBondContact O-N 2.93Å; I83-I86 PolarHBondContact O-N 3.17Å; I83-N87 WeakPolarHBondContact CG2-ND2 3.26Å; I83-N87 WeakPolarHBondContact O-CB 3.5Å; I83-N87 VanDerWaalsContact O-CG 3.31Å; I83-N87 PolarHBondContact O-N 3.04Å; I83-N87 PolarHBondContact O-ND2 3.09Å; I83-V108 HydrophobicContact CD1-CG1 4.17Å; I83-V108 HydrophobicContact CG1-CG1 3.9Å; I83-V108 HydrophobicContact CG1-CG2 4.36Å; I83-M112 HydrophobicContact CD1-SD 4.11Å; I83-E124 HydrophobicContact CD1-CB 4.02Å; I83-E124 HydrophobicContact CD1-CG 4.03Å; I83-H127 HydrophobicContact CG2-CB 3.99Å; I83-H127 WeakPolarHBondContact CG2-CD2 3.22Å; I83-Y131 HydrophobicContact CG1-CE2 4.41Å
84H95.1Very high91.6Very high113 Ų11354.7 Ų54.752%0.52328%0.28SS..Hα-helixtrans-58.5-47.2176.6178.674.2000111.5Q80 I86 N87 E88Q80-H84 PolarHBondContact O-N 3.47Å; H84-I86 PolarHBondContact O-N 3.35Å; H84-N87 PolarHBondContact O-N 3.1Å; H84-E88 WeakPolarHBondContact O-CB 3.25Å; H84-E88 PolarHBondContact O-N 3.31Å
85F94.9Very high92Very high16 Ų1654.3 Ų54.37%0.0728%0.278CS..Iπ-helixtrans-61.4-44.2179.2-179.9-101.4000112.6T69 I70 R73 D81 M82 I83 N87 L89 C90 F93T69-F85 HydrophobicContact CG2-CE2 4.45Å; T69-F85 HydrophobicContact CG2-CZ 3.94Å; I70-F85 HydrophobicContact CG1-CE1 4.01Å; R73-F85 HydrophobicContact CB-CD1 4.15Å; R73-F85 HydrophobicContact CB-CE1 4.13Å; R73-F85 HydrophobicContact CG-CD1 4.13Å; R73-F85 HydrophobicContact CG-CD2 4.08Å; R73-F85 HydrophobicContact CG-CE1 3.96Å; R73-F85 HydrophobicContact CG-CE2 3.95Å; R73-F85 HydrophobicContact CG-CG 4.2Å; R73-F85 HydrophobicContact CG-CZ 3.9Å; D81-F85 WeakPolarHBondContact O-CB 3.18Å; D81-F85 PolarHBondContact O-N 2.87Å; M82-F85 PolarHBondContact O-N 2.75Å; I83-F85 VanDerWaalsContact C-N 3.35Å; I83-F85 PolarHBondContact O-N 2.93Å; F85-N87 VanDerWaalsContact C-N 3.35Å; F85-N87 PolarHBondContact O-N 2.97Å; F85-L89 HydrophobicContact CD2-CB 3.87Å; F85-L89 HydrophobicContact CD2-CD1 3.52Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE2-CB 3.95Å; F85-L89 HydrophobicContact CE2-CD1 3.98Å; F85-L89 WeakPolarHBondContact O-CB 3.32Å; F85-L89 PolarHBondContact O-N 2.89Å; F85-C90 WeakPolarHBondContact CE1-SG 3.38Å; F85-C90 PolarHBondContact O-N 3.48Å; F85-F93 HydrophobicContact CE1-CZ 4.37Å; F85-F93 HydrophobicContact CZ-CE1 4.26Å; F85-F93 AromaticContact CZ-CZ 3.9Å; F85-F93 HydrophobicContact CZ-CZ 3.9Å
86I95.7Very high92.5Very high5 Ų551.6 Ų51.63%0.02627%0.27CS..Iπ-helixtrans-61.7-42.1177.4-72.9168.3000111.3M82 I83 H84 C90 P91 L101 A104 K105 V108 Y131M82-I86 HydrophobicContact CG-CD1 3.88Å; M82-I86 HydrophobicContact CG-CG1 4.39Å; M82-I86 WeakPolarHBondContact O-CB 3.26Å; M82-I86 VanDerWaalsContact O-CG1 3.22Å; M82-I86 WeakPolarHBondContact O-CG1 3.45Å; M82-I86 PolarHBondContact O-N 2.88Å; I83-I86 PolarHBondContact O-N 3.17Å; H84-I86 PolarHBondContact O-N 3.35Å; I86-C90 WeakPolarHBondContact O-CB 3.42Å; I86-P91 WeakPolarHBondContact O-CD 3.36Å; I86-L101 HydrophobicContact CB-CD1 4.41Å; I86-L101 HydrophobicContact CG1-CD1 4.16Å; I86-L101 HydrophobicContact CG2-CD1 3.97Å; I86-A104 HydrophobicContact CD1-CB 3.88Å; I86-A104 HydrophobicContact CG1-CB 4.09Å; I86-K105 HydrophobicContact CD1-CG 4.36Å; I86-K105 HydrophobicContact CG2-CG 4.22Å; I86-V108 HydrophobicContact CD1-CG2 3.75Å; I86-Y131 HydrophobicContact CD1-CE2 4.35Å; I86-Y131 HydrophobicContact CG2-CE1 3.87Å; I86-Y131 HydrophobicContact CG2-CE2 4.5Å; I86-Y131 VanDerWaalsContact CG2-OH 3.27Å; I86-Y131 WeakPolarHBondContact CG2-OH 3.2Å
87N95.2Very high92.8Very high32 Ų3248.4 Ų48.417%0.17125%0.248CC..Iπ-helixtrans-84.1-38.3-173-65.3-36.9000113.1I83 H84 F85 P91 H127 R130 Y131I83-N87 WeakPolarHBondContact CG2-ND2 3.26Å; I83-N87 WeakPolarHBondContact O-CB 3.5Å; I83-N87 VanDerWaalsContact O-CG 3.31Å; I83-N87 PolarHBondContact O-N 3.04Å; I83-N87 PolarHBondContact O-ND2 3.09Å; H84-N87 PolarHBondContact O-N 3.1Å; F85-N87 VanDerWaalsContact C-N 3.35Å; F85-N87 PolarHBondContact O-N 2.97Å; N87-P91 WeakPolarHBondContact O-CG 3.23Å; N87-H127 PolarHBondContact ND2-CE1 3.14Å; N87-H127 VanDerWaalsContact ND2-CE1 3.34Å; N87-H127 PolarHBondContact ND2-ND1 3.13Å; N87-R130 VanDerWaalsContact CG-NH2 3.34Å; N87-R130 PolarHBondContact OD1-NH2 3.16Å; N87-Y131 VanDerWaalsContact CG-OH 3.23Å; N87-Y131 PolarHBondContact ND2-OH 3.18Å; N87-Y131 PolarHBondContact OD1-OH 3.01Å
88E94.3Very high93.2Very high123 Ų12347.8 Ų47.858%0.57524%0.243SC*.Iπ-helixtrans-99.1-30.3-171-59.8-54.1128.400113.3H84H84-E88 WeakPolarHBondContact O-CB 3.25Å; H84-E88 PolarHBondContact O-N 3.31Å
89L93.3Very high93.3Very high60 Ų6050.3 Ų50.331%0.31425%0.248SC..Iπ-helixtrans-109-45.5-170.6-65.6172.1000113F85 R92 F93F85-L89 HydrophobicContact CD2-CB 3.87Å; F85-L89 HydrophobicContact CD2-CD1 3.52Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE2-CB 3.95Å; F85-L89 HydrophobicContact CE2-CD1 3.98Å; F85-L89 WeakPolarHBondContact O-CB 3.32Å; F85-L89 PolarHBondContact O-N 2.89Å; L89-R92 VanDerWaalsContact O-CB 3.32Å; L89-R92 WeakPolarHBondContact O-CB 3.47Å; L89-R92 PolarHBondContact O-N 2.89Å; L89-R92 VanDerWaalsContact O-N 3.08Å; L89-F93 WeakPolarHBondContact O-CD1 3.24Å; L89-F93 VanDerWaalsContact O-CE1 3.29Å; L89-F93 WeakPolarHBondContact O-CE1 3.21Å
90C93.5Very high93.3Very high0 Ų049.9 Ų49.90%025%0.245CC..G310 helixtrans-54.2-39.5179.8-67.70000115.6F85 I86 R92 F93 C94 L101F85-C90 WeakPolarHBondContact CE1-SG 3.38Å; F85-C90 PolarHBondContact O-N 3.48Å; I86-C90 WeakPolarHBondContact O-CB 3.42Å; C90-R92 PolarHBondContact O-N 2.98Å; C90-F93 VanDerWaalsContact CA-CE1 3.45Å; C90-F93 VanDerWaalsContact CA-CZ 3.47Å; C90-F93 HydrophobicContact CB-CE1 4.44Å; C90-F93 HydrophobicContact CB-CE2 4.4Å; C90-F93 HydrophobicContact CB-CZ 3.99Å; C90-F93 PolarHBondContact O-N 3.46Å; C90-F93 VanDerWaalsContact SG-CZ 3.55Å; C90-C94 PolarHBondContact O-N 2.95Å; C90-C94 VanDerWaalsContact O-N 3.15Å; C90-L101 HydrophobicContact CB-CD1 3.47Å; C90-L101 VanDerWaalsContact CB-CD1 3.47Å; C90-L101 HydrophobicContact CB-CD2 4.19Å; C90-L101 HydrophobicContact CB-CG 4.46Å; C90-L101 VanDerWaalsContact SG-CD1 3.56Å
91P92.5Very high93.5Very high71 Ų7145.2 Ų45.246%0.46122%0.224SC..G310 helixtrans-62.4-12.1179.2-25.136.6000114.2F23 I86 N87F23-P91 WeakPolarHBondContact CE2-O 3.26Å; F23-P91 WeakPolarHBondContact CZ-O 3.42Å; I86-P91 WeakPolarHBondContact O-CD 3.36Å; N87-P91 WeakPolarHBondContact O-CG 3.23Å
92R89.7Confident93.5Very high191 Ų19141.6 Ų41.672%0.72120%0.204SC*.G310 helixtrans-81.7-19.6177.9-58.9177.163.4-177.6-0.5113.3L89 C90L89-R92 VanDerWaalsContact O-CB 3.32Å; L89-R92 WeakPolarHBondContact O-CB 3.47Å; L89-R92 PolarHBondContact O-N 2.89Å; L89-R92 VanDerWaalsContact O-N 3.08Å; C90-R92 PolarHBondContact O-N 2.98Å
93F86.6Confident93.4Very high24 Ų2445.8 Ų45.811%0.10522%0.224CC..THydrogen-bonded Turntrans-128.6-22-172.856-101000115.4F65 A66 I70 F85 L89 C90F65-F93 HydrophobicContact CE1-CB 4.21Å; F65-F93 HydrophobicContact CE1-CG 4.38Å; A66-F93 HydrophobicContact CB-CD2 3.99Å; A66-F93 HydrophobicContact CB-CE2 4.3Å; I70-F93 HydrophobicContact CD1-CE2 3.66Å; I70-F93 HydrophobicContact CD1-CZ 4.24Å; I70-F93 HydrophobicContact CG1-CE2 3.76Å; I70-F93 HydrophobicContact CG1-CZ 3.91Å; F85-F93 HydrophobicContact CE1-CZ 4.37Å; F85-F93 HydrophobicContact CZ-CE1 4.26Å; F85-F93 AromaticContact CZ-CZ 3.9Å; F85-F93 HydrophobicContact CZ-CZ 3.9Å; L89-F93 WeakPolarHBondContact O-CD1 3.24Å; L89-F93 VanDerWaalsContact O-CE1 3.29Å; L89-F93 WeakPolarHBondContact O-CE1 3.21Å; C90-F93 VanDerWaalsContact CA-CE1 3.45Å; C90-F93 VanDerWaalsContact CA-CZ 3.47Å; C90-F93 HydrophobicContact CB-CE1 4.44Å; C90-F93 HydrophobicContact CB-CE2 4.4Å; C90-F93 HydrophobicContact CB-CZ 3.99Å; C90-F93 PolarHBondContact O-N 3.46Å; C90-F93 VanDerWaalsContact SG-CZ 3.55Å
94C92Very high93.4Very high0 Ų045.4 Ų45.40%022%0.222CC..SBendtrans-141.9154.2172.765.90000113.1F23 C90 N98F23-C94 VanDerWaalsContact CE2-O 3.28Å; F23-C94 WeakPolarHBondContact CE2-O 3.35Å; F23-C94 WeakPolarHBondContact CZ-O 3.48Å; C90-C94 PolarHBondContact O-N 2.95Å; C90-C94 VanDerWaalsContact O-N 3.15Å; C94-N98 HydrophobicContact CB-CB 3.93Å
95P94.2Very high93.4Very high7 Ų740.3 Ų40.35%0.04520%0.198CC..  trans-59.7153173-24.235.2000112.8A21 F23 L32 S97 N98A21-P95 HydrophobicContact CB-CG 4.29Å; A21-P95 VanDerWaalsContact O-CD 3.26Å; A21-P95 WeakPolarHBondContact O-CD 3.43Å; F23-P95 HydrophobicContact CD1-CG 4.33Å; F23-P95 HydrophobicContact CE1-CG 4.15Å; F23-P95 HydrophobicContact CZ-CG 4.48Å; L32-P95 HydrophobicContact CD2-CB 3.97Å; L32-P95 HydrophobicContact CD2-CG 3.41Å; L32-P95 VanDerWaalsContact CD2-CG 3.41Å; P95-S97 PolarHBondContact O-N 2.89Å; P95-S97 VanDerWaalsContact O-N 3.12Å; P95-N98 WeakPolarHBondContact O-CB 3.22Å; P95-N98 PolarHBondContact O-N 3.5Å
96S92.2Very high93.3Very high81 Ų8140.2 Ų40.257%0.56620%0.198SC*.THydrogen-bonded Turntrans-60.7-25.3-178.558.40000114.1K105S96-K105 PolarHBondContact O-NZ 3.41Å
97S92Very high93.2Very high23 Ų2341.8 Ų41.816%0.16121%0.207CC..THydrogen-bonded Turntrans-89.4-5177.861.40000114T17 Y18 L19 P95 Y99T17-S97 WeakPolarHBondContact O-CB 3.38Å; T17-S97 PolarHBondContact O-OG 3.36Å; T17-S97 VanDerWaalsContact O-OG 3.08Å; Y18-S97 PolarHBondContact O-OG 3.46Å; L19-S97 WeakPolarHBondContact CA-O 3.36Å; L19-S97 VanDerWaalsContact CD2-O 3.31Å; L19-S97 WeakPolarHBondContact CD2-O 3.21Å; P95-S97 PolarHBondContact O-N 2.89Å; P95-S97 VanDerWaalsContact O-N 3.12Å; S97-Y99 PolarHBondContact O-N 3.43Å
98N95.2Very high93.2Very high3 Ų340.3 Ų40.32%0.01620%0.199CC..  trans-60.5136.5-177.3-176.3-80.4000111L19 A21 C94 P95 V100 L101 I102L19-N98 CarbonylContact O-C 3.52Å; L19-N98 VanDerWaalsContact O-CA 3.27Å; L19-N98 WeakPolarHBondContact O-CA 3.37Å; L19-N98 PolarHBondContact O-ND2 2.68Å; A21-N98 PolarHBondContact O-ND2 3.02Å; C94-N98 HydrophobicContact CB-CB 3.93Å; P95-N98 WeakPolarHBondContact O-CB 3.22Å; P95-N98 PolarHBondContact O-N 3.5Å; N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 VanDerWaalsContact O-N 3.13Å; N98-V100 WeakPolarHBondContact OD1-CG2 3.45Å; N98-V100 PolarHBondContact OD1-N 3.41Å; N98-V100 VanDerWaalsContact OD1-N 3.14Å; N98-L101 WeakPolarHBondContact O-CA 3.46Å; N98-L101 WeakPolarHBondContact O-CB 3.28Å; N98-L101 PolarHBondContact O-N 2.9Å; N98-I102 WeakPolarHBondContact O-CG1 3.28Å; N98-I102 PolarHBondContact O-N 3.36Å
99Y93.5Very high93.1Very high91 Ų9134.5 Ų34.536%0.35717%0.172SC..Hα-helixtrans-55.8-36.5-171.677.6-88.6000113.6L19 L67 S97 L101 I102 E103L19-Y99 WeakPolarHBondContact O-CD1 3.37Å; L19-Y99 PolarHBondContact O-N 3.36Å; L67-Y99 HydrophobicContact CD1-CE2 4.43Å; S97-Y99 PolarHBondContact O-N 3.43Å; Y99-L101 VanDerWaalsContact C-N 3.29Å; Y99-L101 PolarHBondContact O-N 3.31Å; Y99-I102 WeakPolarHBondContact O-CB 3.35Å; Y99-I102 PolarHBondContact O-N 3.45Å; Y99-E103 PolarHBondContact O-N 3.48Å
100V93.5Very high93Very high1 Ų136.9 Ų36.91%0.00618%0.176CC..Hα-helixtrans-65.7-37.8179.4-171.80000110.5L67 I70 N98 E103 A104L67-V100 HydrophobicContact CB-CG2 4.33Å; L67-V100 HydrophobicContact CD1-CG1 4.09Å; L67-V100 HydrophobicContact CD1-CG2 3.89Å; I70-V100 HydrophobicContact CB-CG1 3.61Å; I70-V100 HydrophobicContact CD1-CB 3.91Å; I70-V100 HydrophobicContact CD1-CG1 3.43Å; I70-V100 VanDerWaalsContact CD1-CG1 3.43Å; I70-V100 HydrophobicContact CG1-CG1 4.07Å; I70-V100 HydrophobicContact CG2-CG1 3.77Å; N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 VanDerWaalsContact O-N 3.13Å; N98-V100 WeakPolarHBondContact OD1-CG2 3.45Å; N98-V100 PolarHBondContact OD1-N 3.41Å; N98-V100 VanDerWaalsContact OD1-N 3.14Å; V100-E103 PolarHBondContact O-N 3.02Å; V100-A104 PolarHBondContact O-N 3.12Å; V100-A104 VanDerWaalsContact O-N 3.08Å
101L94.7Very high92.8Very high4 Ų440 Ų402%0.02119%0.188CC..Hα-helixtrans-73.4-34.2177.4-170.860.4000111.8I86 C90 N98 Y99 E103 A104 K105I86-L101 HydrophobicContact CB-CD1 4.41Å; I86-L101 HydrophobicContact CG1-CD1 4.16Å; I86-L101 HydrophobicContact CG2-CD1 3.97Å; C90-L101 HydrophobicContact CB-CD1 3.47Å; C90-L101 VanDerWaalsContact CB-CD1 3.47Å; C90-L101 HydrophobicContact CB-CD2 4.19Å; C90-L101 HydrophobicContact CB-CG 4.46Å; C90-L101 VanDerWaalsContact SG-CD1 3.56Å; N98-L101 WeakPolarHBondContact O-CA 3.46Å; N98-L101 WeakPolarHBondContact O-CB 3.28Å; N98-L101 PolarHBondContact O-N 2.9Å; Y99-L101 VanDerWaalsContact C-N 3.29Å; Y99-L101 PolarHBondContact O-N 3.31Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-A104 PolarHBondContact O-N 3.02Å; L101-K105 WeakPolarHBondContact O-CG 3.13Å; L101-K105 PolarHBondContact O-N 3.17Å
102I94.8Very high92.7Very high16 Ų1636.6 Ų36.68%0.08217%0.166CC..Hα-helixtrans-62.7-41.9172-61.9-47.5000110.7L19 N98 Y99 A104 K105 L106 V135 I138L19-I102 HydrophobicContact CD2-CG1 4.45Å; N98-I102 WeakPolarHBondContact O-CG1 3.28Å; N98-I102 PolarHBondContact O-N 3.36Å; Y99-I102 WeakPolarHBondContact O-CB 3.35Å; Y99-I102 PolarHBondContact O-N 3.45Å; I102-A104 PolarHBondContact O-N 2.84Å; I102-K105 HydrophobicContact CD1-CD 4.24Å; I102-K105 PolarHBondContact O-N 2.7Å; I102-L106 HydrophobicContact CG2-CD1 4.29Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.35Å; I102-V135 HydrophobicContact CG2-CG2 4.22Å; I102-I138 HydrophobicContact CD1-CD1 3.31Å; I102-I138 HydrophobicContact CG1-CD1 3.59Å
103E93.1Very high92.5Very high91 Ų9130.4 Ų30.443%0.42515%0.15SC..Hα-helixtrans-61.3-42.4174.1-172.6175.4-176.500112.2Y99 V100 L101 K105 L106 N107Y99-E103 PolarHBondContact O-N 3.48Å; V100-E103 PolarHBondContact O-N 3.02Å; L101-E103 VanDerWaalsContact C-N 3.32Å; E103-K105 PolarHBondContact O-N 2.96Å; E103-L106 PolarHBondContact O-N 2.88Å; E103-N107 PolarHBondContact O-N 3.21Å
104A94.7Very high92.3Very high1 Ų139.2 Ų39.21%0.00818%0.182CC..Hα-helixtrans-61.6-43.417500000112.7I70 I74 I86 V100 L101 I102 N107 V108I70-A104 HydrophobicContact CG2-CB 3.76Å; I74-A104 HydrophobicContact CD1-CB 3.87Å; I74-A104 HydrophobicContact CG1-CB 4.22Å; I86-A104 HydrophobicContact CD1-CB 3.88Å; I86-A104 HydrophobicContact CG1-CB 4.09Å; V100-A104 PolarHBondContact O-N 3.12Å; V100-A104 VanDerWaalsContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.02Å; I102-A104 PolarHBondContact O-N 2.84Å; A104-N107 WeakPolarHBondContact O-CB 3.47Å; A104-N107 PolarHBondContact O-N 2.92Å; A104-V108 PolarHBondContact O-N 3.37Å; A104-V108 VanDerWaalsContact O-N 3.07Å
105K95.5Very high91.6Very high6 Ų644.2 Ų44.23%0.02620%0.204CC..Hα-helixtrans-62.7-43176.3-73.9170.8-176.11710111.8I86 S96 L101 I102 E103 N107 V108 I109 Y131 E134I86-K105 HydrophobicContact CD1-CG 4.36Å; I86-K105 HydrophobicContact CG2-CG 4.22Å; S96-K105 PolarHBondContact O-NZ 3.41Å; L101-K105 WeakPolarHBondContact O-CG 3.13Å; L101-K105 PolarHBondContact O-N 3.17Å; I102-K105 HydrophobicContact CD1-CD 4.24Å; I102-K105 PolarHBondContact O-N 2.7Å; E103-K105 PolarHBondContact O-N 2.96Å; K105-N107 VanDerWaalsContact C-N 3.29Å; K105-N107 PolarHBondContact O-N 3.47Å; K105-V108 PolarHBondContact O-N 3.36Å; K105-I109 WeakPolarHBondContact O-CG1 3.23Å; K105-I109 PolarHBondContact O-N 3.44Å; K105-Y131 HydrophobicContact CB-CD1 4.47Å; K105-Y131 HydrophobicContact CB-CD2 4.3Å; K105-Y131 HydrophobicContact CB-CG 4.03Å; K105-Y131 HydrophobicContact CD-CD1 3.83Å; K105-Y131 HydrophobicContact CD-CE1 4.37Å; K105-Y131 HydrophobicContact CD-CG 4.21Å; K105-Y131 HydrophobicContact CG-CD1 3.72Å; K105-Y131 HydrophobicContact CG-CD2 4.13Å; K105-Y131 HydrophobicContact CG-CE1 4.1Å; K105-Y131 HydrophobicContact CG-CE2 4.47Å; K105-Y131 HydrophobicContact CG-CG 3.76Å; K105-E134 WeakPolarHBondContact CD-OE2 3.46Å; K105-E134 WeakPolarHBondContact CE-OE2 3.29Å; K105-E134 IonicContact NZ-OE2 2.6Å; K105-E134 PolarHBondContact NZ-OE2 3.48Å
106L94Very high90.5Very high15 Ų1549.7 Ų49.78%0.07923%0.233CC..Hα-helixtrans-60.6-40173.7-74.6173.9000111.7I102 E103 V108 I109 W110 V135 L149 I153I102-L106 HydrophobicContact CG2-CD1 4.29Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.35Å; E103-L106 PolarHBondContact O-N 2.88Å; L106-V108 PolarHBondContact O-N 2.93Å; L106-I109 HydrophobicContact CD2-CD1 4.42Å; L106-I109 PolarHBondContact O-N 3.45Å; L106-W110 HydrophobicContact CB-CE3 4.28Å; L106-W110 HydrophobicContact CB-CH2 4.12Å; L106-W110 HydrophobicContact CB-CZ2 4.42Å; L106-W110 HydrophobicContact CB-CZ3 4.04Å; L106-W110 HydrophobicContact CD1-CH2 4.45Å; L106-W110 WeakPolarHBondContact O-CB 3.47Å; L106-W110 PolarHBondContact O-N 3.33Å; L106-V135 HydrophobicContact CD2-CG1 4.09Å; L106-V135 HydrophobicContact CD2-CG2 4.17Å; L106-V135 HydrophobicContact CG-CG2 4.36Å; L106-L149 HydrophobicContact CD1-CD1 4.17Å; L106-L149 HydrophobicContact CD1-CD2 4.14Å; L106-L149 HydrophobicContact CD2-CD1 3.75Å; L106-I153 HydrophobicContact CD2-CD1 3.98Å; L106-I153 HydrophobicContact CD2-CG1 4.33Å
107N93.2Very high89.6Confident38 Ų3850.4 Ų50.420%0.20323%0.227CC..Hα-helixtrans-60.7-43.2175.2-168.2-91.3000112.3I74 M82 E103 A104 K105 W110 R111I74-N107 HydrophobicContact CG2-CB 4.2Å; M82-N107 WeakPolarHBondContact CE-OD1 3.48Å; M82-N107 HydrophobicContact SD-CB 4.19Å; E103-N107 PolarHBondContact O-N 3.21Å; A104-N107 WeakPolarHBondContact O-CB 3.47Å; A104-N107 PolarHBondContact O-N 2.92Å; K105-N107 VanDerWaalsContact C-N 3.29Å; K105-N107 PolarHBondContact O-N 3.47Å; N107-W110 PolarHBondContact O-N 2.93Å; N107-R111 WeakPolarHBondContact O-CB 3.42Å; N107-R111 VanDerWaalsContact O-CG 3.28Å; N107-R111 WeakPolarHBondContact O-CG 3.43Å; N107-R111 PolarHBondContact O-N 3.29Å; N107-R111 WeakPolarHBondContact OD1-CD 3.26Å
108V94.1Very high88.8Confident0 Ų058.3 Ų58.30%026%0.262CS..Hα-helixtrans-59.8-51.2173.7172.10000110.9V79 M82 I83 I86 A104 K105 L106 W110 R111 M112 Y131V79-V108 HydrophobicContact CG1-CG1 4.23Å; M82-V108 HydrophobicContact CB-CG2 4.06Å; M82-V108 HydrophobicContact CG-CG2 3.67Å; M82-V108 HydrophobicContact SD-CG2 3.56Å; M82-V108 VanDerWaalsContact SD-CG2 3.56Å; I83-V108 HydrophobicContact CD1-CG1 4.17Å; I83-V108 HydrophobicContact CG1-CG1 3.9Å; I83-V108 HydrophobicContact CG1-CG2 4.36Å; I86-V108 HydrophobicContact CD1-CG2 3.75Å; A104-V108 PolarHBondContact O-N 3.37Å; A104-V108 VanDerWaalsContact O-N 3.07Å; K105-V108 PolarHBondContact O-N 3.36Å; L106-V108 PolarHBondContact O-N 2.93Å; V108-W110 VanDerWaalsContact C-N 3.31Å; V108-W110 PolarHBondContact O-N 3.23Å; V108-R111 PolarHBondContact O-N 3.07Å; V108-M112 HydrophobicContact CG1-CG 4.24Å; V108-M112 HydrophobicContact CG1-SD 3.57Å; V108-M112 VanDerWaalsContact CG1-SD 3.57Å; V108-M112 WeakPolarHBondContact O-CB 3.32Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 3Å; V108-Y131 HydrophobicContact CB-CD2 4.31Å; V108-Y131 HydrophobicContact CB-CE2 4.36Å; V108-Y131 HydrophobicContact CG1-CD2 4.13Å; V108-Y131 HydrophobicContact CG1-CE2 4.09Å; V108-Y131 HydrophobicContact CG2-CE2 4.48Å
109I93Very high88.3Confident2 Ų264.2 Ų64.21%0.0129%0.289CS..Hα-helixtrans-56.1-47.1179.3-65.9161.8000110.5K105 L106 M112 T113 M128 R132K105-I109 WeakPolarHBondContact O-CG1 3.23Å; K105-I109 PolarHBondContact O-N 3.44Å; L106-I109 HydrophobicContact CD2-CD1 4.42Å; L106-I109 PolarHBondContact O-N 3.45Å; I109-M112 PolarHBondContact O-N 3.49Å; I109-T113 HydrophobicContact CG2-CG2 4.37Å; I109-T113 WeakPolarHBondContact O-CB 3.39Å; I109-T113 VanDerWaalsContact O-CG2 3.28Å; I109-T113 WeakPolarHBondContact O-CG2 3.45Å; I109-T113 PolarHBondContact O-N 3.33Å; I109-T113 PolarHBondContact O-OG1 3.15Å; I109-M128 HydrophobicContact CG1-CG 4.05Å; I109-R132 HydrophobicContact CD1-CG 3.8Å; I109-R132 HydrophobicContact CG1-CG 4.05Å; I109-R132 HydrophobicContact CG2-CG 4.32Å
110W90.1Very high88.1Confident109 Ų10961.3 Ų61.341%0.41328%0.278SS..Hα-helixtrans-65.7-38.6179.3-72-35.7000113.2L106 N107 V108 T113 R114 L149L106-W110 HydrophobicContact CB-CE3 4.28Å; L106-W110 HydrophobicContact CB-CH2 4.12Å; L106-W110 HydrophobicContact CB-CZ2 4.42Å; L106-W110 HydrophobicContact CB-CZ3 4.04Å; L106-W110 HydrophobicContact CD1-CH2 4.45Å; L106-W110 WeakPolarHBondContact O-CB 3.47Å; L106-W110 PolarHBondContact O-N 3.33Å; N107-W110 PolarHBondContact O-N 2.93Å; V108-W110 VanDerWaalsContact C-N 3.31Å; V108-W110 PolarHBondContact O-N 3.23Å; W110-T113 WeakPolarHBondContact CA-OG1 3.36Å; W110-T113 PolarHBondContact O-OG1 3.31Å; W110-R114 WeakPolarHBondContact O-CG 3.44Å; W110-R114 PolarHBondContact O-N 2.99Å; W110-L149 HydrophobicContact CZ2-CD1 4.11Å
111R89.9Confident88Confident65 Ų6564.4 Ų64.425%0.24530%0.297CS..Hα-helixtrans-67.6-45.6177.2-72.4173.967.6173.41110.6C77 V79 M82 N107 V108 T113 R114 F115C77-R111 PolarHBondContact O-NH1 3.48Å; C77-R111 PolarHBondContact O-NH2 3.3Å; V79-R111 HydrophobicContact CG2-CB 3.71Å; M82-R111 VanDerWaalsContact CE-NH1 3.3Å; N107-R111 WeakPolarHBondContact O-CB 3.42Å; N107-R111 VanDerWaalsContact O-CG 3.28Å; N107-R111 WeakPolarHBondContact O-CG 3.43Å; N107-R111 PolarHBondContact O-N 3.29Å; N107-R111 WeakPolarHBondContact OD1-CD 3.26Å; V108-R111 PolarHBondContact O-N 3.07Å; R111-T113 VanDerWaalsContact C-N 3.32Å; R111-T113 PolarHBondContact O-N 3.08Å; R111-R114 PolarHBondContact O-N 3.43Å; R111-F115 WeakPolarHBondContact O-CD2 3.39Å
112M90.5Very high88Confident0 Ų069.9 Ų69.90%033%0.332CS..Hα-helixtrans-70.3-25.1-178.6-67.5-178.674.400114.1V79 I83 V108 I109 Y120 E124 M125 M128V79-M112 HydrophobicContact CG1-CG 3.59Å; V79-M112 HydrophobicContact CG1-SD 3.82Å; I83-M112 HydrophobicContact CD1-SD 4.11Å; V108-M112 HydrophobicContact CG1-CG 4.24Å; V108-M112 HydrophobicContact CG1-SD 3.57Å; V108-M112 VanDerWaalsContact CG1-SD 3.57Å; V108-M112 WeakPolarHBondContact O-CB 3.32Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 3Å; I109-M112 PolarHBondContact O-N 3.49Å; M112-Y120 HydrophobicContact CB-CD2 4.34Å; M112-Y120 HydrophobicContact CB-CE2 3.84Å; M112-Y120 HydrophobicContact CE-CD1 3.89Å; M112-Y120 HydrophobicContact CE-CD2 3.81Å; M112-Y120 HydrophobicContact CE-CE1 4.42Å; M112-Y120 HydrophobicContact CE-CE2 4.33Å; M112-Y120 HydrophobicContact CE-CG 3.57Å; M112-Y120 HydrophobicContact CG-CD1 4.45Å; M112-Y120 HydrophobicContact CG-CD2 4.35Å; M112-Y120 HydrophobicContact CG-CE1 4.06Å; M112-Y120 HydrophobicContact CG-CE2 3.92Å; M112-E124 HydrophobicContact CE-CB 3.99Å; M112-M125 HydrophobicContact CE-SD 3.86Å; M112-M128 HydrophobicContact CB-SD 3.63Å; M112-M128 HydrophobicContact CE-CB 4.11Å; M112-M128 HydrophobicContact CE-SD 4.36Å; M112-M128 HydrophobicContact SD-CB 3.84Å; M112-M128 HydrophobicContact SD-CG 4.23Å; M112-M128 HydrophobicContact SD-SD 4.23Å
113T86.8Confident87.9Confident61 Ų6176 Ų7637%0.37436%0.361SS..Hα-helixtrans-83-14.7175.346.40000113.6I109 W110 R111 M128 R132I109-T113 HydrophobicContact CG2-CG2 4.37Å; I109-T113 WeakPolarHBondContact O-CB 3.39Å; I109-T113 VanDerWaalsContact O-CG2 3.28Å; I109-T113 WeakPolarHBondContact O-CG2 3.45Å; I109-T113 PolarHBondContact O-N 3.33Å; I109-T113 PolarHBondContact O-OG1 3.15Å; W110-T113 WeakPolarHBondContact CA-OG1 3.36Å; W110-T113 PolarHBondContact O-OG1 3.31Å; R111-T113 VanDerWaalsContact C-N 3.32Å; R111-T113 PolarHBondContact O-N 3.08Å; T113-M128 HydrophobicContact CG2-SD 4.48Å; T113-R132 VanDerWaalsContact CG2-NH2 3.34Å
114R82.3Confident88Confident209 Ų20972.6 Ų72.679%0.78935%0.345SS*.Hα-helixtrans-85.1-20.9178.4-78.8178.770.6176.73.8114W110 R111W110-R114 WeakPolarHBondContact O-CG 3.44Å; W110-R114 PolarHBondContact O-N 2.99Å; R111-R114 PolarHBondContact O-N 3.43Å
115F75.4Confident87.9Confident106 Ų10674.5 Ų74.547%0.46535%0.354SS..SBendtrans-111.6163.9179.4-59.3-75.2000109.9R111 H117 Y120R111-F115 WeakPolarHBondContact O-CD2 3.39Å; F115-H117 PolarHBondContact O-N 3.4Å; F115-Y120 HydrophobicContact CB-CE2 4.47Å
116D73.1Confident87.9Confident122 Ų12276.1 Ų76.165%0.65237%0.372SS*.  trans-64.8135.4179.5-79.8-40.4000110.9E118 E119D116-E118 PolarHBondContact O-N 3.3Å; D116-E119 WeakPolarHBondContact O-CB 3.14Å; D116-E119 PolarHBondContact O-N 2.97Å
117H72.7Confident88Confident96 Ų9676.9 Ų76.944%0.44438%0.375SS..G310 helixtrans-59.1-19.3-179.2-73.1-67.4000113.6F115 E119 Y120 M125F115-H117 PolarHBondContact O-N 3.4Å; H117-E119 PolarHBondContact O-N 2.86Å; H117-Y120 PolarHBondContact O-N 3.15Å; H117-M125 VanDerWaalsContact ND1-CE 3.31Å; H117-M125 WeakPolarHBondContact ND1-CE 3.47Å
118E75.8Confident88.1Confident189 Ų18975 Ų7588%0.88337%0.366SS*.G310 helixtrans-69.3-16177.1-59.2-172.6167.900113.3D116 Y120D116-E118 PolarHBondContact O-N 3.3Å; E118-Y120 VanDerWaalsContact C-N 3.26Å; E118-Y120 PolarHBondContact O-N 3.35Å
119E82.9Confident88.1Confident126 Ų12678.4 Ų78.459%0.58938%0.384SS*.G310 helixtrans-78-10.7176.4-63.5-168.3175.100113.4D116 H117D116-E119 WeakPolarHBondContact O-CB 3.14Å; D116-E119 PolarHBondContact O-N 2.97Å; H117-E119 PolarHBondContact O-N 2.86Å
120Y89.5Confident88.3Confident31 Ų3182.9 Ų82.912%0.12240%0.4CS..SBendtrans-113.5142.5-174.4-57.3-63.5000112.7V79 M112 F115 H117 E118 E124 M125V79-Y120 HydrophobicContact CB-CE1 4.4Å; V79-Y120 HydrophobicContact CG1-CE1 4.24Å; M112-Y120 HydrophobicContact CB-CD2 4.34Å; M112-Y120 HydrophobicContact CB-CE2 3.84Å; M112-Y120 HydrophobicContact CE-CD1 3.89Å; M112-Y120 HydrophobicContact CE-CD2 3.81Å; M112-Y120 HydrophobicContact CE-CE1 4.42Å; M112-Y120 HydrophobicContact CE-CE2 4.33Å; M112-Y120 HydrophobicContact CE-CG 3.57Å; M112-Y120 HydrophobicContact CG-CD1 4.45Å; M112-Y120 HydrophobicContact CG-CD2 4.35Å; M112-Y120 HydrophobicContact CG-CE1 4.06Å; M112-Y120 HydrophobicContact CG-CE2 3.92Å; F115-Y120 HydrophobicContact CB-CE2 4.47Å; H117-Y120 PolarHBondContact O-N 3.15Å; E118-Y120 VanDerWaalsContact C-N 3.26Å; E118-Y120 PolarHBondContact O-N 3.35Å; Y120-E124 VanDerWaalsContact CA-OE2 3.3Å; Y120-E124 WeakPolarHBondContact CA-OE2 3.46Å; Y120-M125 HydrophobicContact CD2-SD 4.37Å
121T92.7Very high88.6Confident65 Ų6577.7 Ų77.740%0.39938%0.381SS..  trans-69.9156.9174.1660000111.2E123 E124 M125T121-E123 PolarHBondContact O-N 2.9Å; T121-E123 VanDerWaalsContact O-N 3.16Å; T121-E124 PolarHBondContact N-OE2 3Å; T121-E124 PolarHBondContact O-N 3.31Å; T121-E124 VanDerWaalsContact O-N 3.17Å; T121-E124 VanDerWaalsContact OG1-CD 3.23Å; T121-E124 VanDerWaalsContact OG1-CG 3.27Å; T121-E124 WeakPolarHBondContact OG1-CG 3.33Å; T121-E124 PolarHBondContact OG1-N 3.05Å; T121-E124 PolarHBondContact OG1-OE2 3.5Å; T121-E124 VanDerWaalsContact OG1-OE2 3.07Å; T121-M125 WeakPolarHBondContact O-CG 3.37Å; T121-M125 PolarHBondContact O-N 2.97Å
122P92.9Very high88.9Confident119 Ų11977 Ų7777%0.77338%0.378SS*.Hα-helixtrans-56.2-31.2174.2-2735.5000113.8G126P122-G126 PolarHBondContact O-N 3.14Å
123E94.2Very high89.1Confident145 Ų14583.5 Ų83.568%0.67841%0.409SS*.Hα-helixtrans-68.7-46.6177.2-178.1173.4-161.700111.8T121 M125 G126 H127T121-E123 PolarHBondContact O-N 2.9Å; T121-E123 VanDerWaalsContact O-N 3.16Å; E123-M125 VanDerWaalsContact C-N 3.32Å; E123-M125 PolarHBondContact O-N 3.05Å; E123-G126 PolarHBondContact O-N 2.96Å; E123-H127 PolarHBondContact O-CD2 2.98Å; E123-H127 PolarHBondContact O-N 3.49Å
124E94.4Very high89.5Confident20 Ų2083.6 Ų83.69%0.09341%0.405CS..Hα-helixtrans-61.5-41.8176.1-69.5159.9162.700111.5Q80 I83 M112 Y120 T121 G126 H127 M128Q80-E124 WeakPolarHBondContact CG-OE1 3.16Å; Q80-E124 PolarHBondContact NE2-OE1 3.4Å; I83-E124 HydrophobicContact CD1-CB 4.02Å; I83-E124 HydrophobicContact CD1-CG 4.03Å; M112-E124 HydrophobicContact CE-CB 3.99Å; Y120-E124 VanDerWaalsContact CA-OE2 3.3Å; Y120-E124 WeakPolarHBondContact CA-OE2 3.46Å; T121-E124 PolarHBondContact N-OE2 3Å; T121-E124 PolarHBondContact O-N 3.31Å; T121-E124 VanDerWaalsContact O-N 3.17Å; T121-E124 VanDerWaalsContact OG1-CD 3.23Å; T121-E124 VanDerWaalsContact OG1-CG 3.27Å; T121-E124 WeakPolarHBondContact OG1-CG 3.33Å; T121-E124 PolarHBondContact OG1-N 3.05Å; T121-E124 PolarHBondContact OG1-OE2 3.5Å; T121-E124 VanDerWaalsContact OG1-OE2 3.07Å; E124-G126 VanDerWaalsContact C-N 3.35Å; E124-H127 WeakPolarHBondContact O-CB 3.27Å; E124-H127 PolarHBondContact O-N 3.35Å; E124-M128 PolarHBondContact O-N 3.4Å
125M93.6Very high90.1Very high40 Ų4073.7 Ų73.720%0.19737%0.368CS..Hα-helixtrans-61.6-42.9174.5-70.5-62.6-63.100111.6M112 H117 Y120 T121 E123 H127 M128 D129M112-M125 HydrophobicContact CE-SD 3.86Å; H117-M125 VanDerWaalsContact ND1-CE 3.31Å; H117-M125 WeakPolarHBondContact ND1-CE 3.47Å; Y120-M125 HydrophobicContact CD2-SD 4.37Å; T121-M125 WeakPolarHBondContact O-CG 3.37Å; T121-M125 PolarHBondContact O-N 2.97Å; E123-M125 VanDerWaalsContact C-N 3.32Å; E123-M125 PolarHBondContact O-N 3.05Å; M125-H127 VanDerWaalsContact C-N 3.3Å; M125-H127 PolarHBondContact O-N 2.68Å; M125-M128 HydrophobicContact CE-CE 3.35Å; M125-M128 WeakPolarHBondContact O-CB 3.38Å; M125-M128 PolarHBondContact O-N 2.86Å; M125-M128 HydrophobicContact SD-CE 3.7Å; M125-D129 PolarHBondContact O-N 3.48Å
126G95.2Very high91Very high40 Ų4071.2 Ų71.241%0.41236%0.359SS..Hα-helixtrans-61.6-35.6174.200000113.3P122 E123 E124 R130P122-G126 PolarHBondContact O-N 3.14Å; E123-G126 PolarHBondContact O-N 2.96Å; E124-G126 VanDerWaalsContact C-N 3.35Å; G126-R130 PolarHBondContact O-N 2.98Å; G126-R130 VanDerWaalsContact O-N 3.14Å
127H96.5Very high92Very high31 Ų3167.9 Ų67.914%0.14435%0.348CS..Hα-helixtrans-66.1-43.7172.4-72.2-51.6000112.5I83 N87 E123 E124 M125 D129 R130 Y131I83-H127 HydrophobicContact CG2-CB 3.99Å; I83-H127 WeakPolarHBondContact CG2-CD2 3.22Å; N87-H127 PolarHBondContact ND2-CE1 3.14Å; N87-H127 VanDerWaalsContact ND2-CE1 3.34Å; N87-H127 PolarHBondContact ND2-ND1 3.13Å; E123-H127 PolarHBondContact O-CD2 2.98Å; E123-H127 PolarHBondContact O-N 3.49Å; E124-H127 WeakPolarHBondContact O-CB 3.27Å; E124-H127 PolarHBondContact O-N 3.35Å; M125-H127 VanDerWaalsContact C-N 3.3Å; M125-H127 PolarHBondContact O-N 2.68Å; H127-D129 PolarHBondContact O-N 3.5Å; H127-R130 PolarHBondContact ND1-NH2 3.32Å; H127-R130 PolarHBondContact O-N 3.45Å; H127-Y131 HydrophobicContact CB-CE2 4.31Å; H127-Y131 WeakPolarHBondContact O-CD1 3.41Å; H127-Y131 WeakPolarHBondContact O-CD2 3.16Å; H127-Y131 PolarHBondContact O-N 3.25Å
128M94.6Very high92.9Very high0 Ų064.1 Ų64.10%033%0.331CS..Hα-helixtrans-59.3-46.5176.6-177-173.35600111.4I109 M112 T113 E124 M125 R130 Y131 R132I109-M128 HydrophobicContact CG1-CG 4.05Å; M112-M128 HydrophobicContact CB-SD 3.63Å; M112-M128 HydrophobicContact CE-CB 4.11Å; M112-M128 HydrophobicContact CE-SD 4.36Å; M112-M128 HydrophobicContact SD-CB 3.84Å; M112-M128 HydrophobicContact SD-CG 4.23Å; M112-M128 HydrophobicContact SD-SD 4.23Å; T113-M128 HydrophobicContact CG2-SD 4.48Å; E124-M128 PolarHBondContact O-N 3.4Å; M125-M128 HydrophobicContact CE-CE 3.35Å; M125-M128 WeakPolarHBondContact O-CB 3.38Å; M125-M128 PolarHBondContact O-N 2.86Å; M125-M128 HydrophobicContact SD-CE 3.7Å; M128-R130 PolarHBondContact O-N 2.6Å; M128-Y131 WeakPolarHBondContact O-CB 3.45Å; M128-Y131 PolarHBondContact O-N 3.41Å; M128-Y131 VanDerWaalsContact O-N 3.13Å; M128-R132 VanDerWaalsContact CE-NH1 3.33Å; M128-R132 WeakPolarHBondContact O-CG 3.4Å; M128-R132 PolarHBondContact O-N 2.97Å; M128-R132 PolarHBondContact SD-NH2 3.18Å
129D94.9Very high93.7Very high70 Ų7056 Ų5637%0.37429%0.294SS..Hα-helixtrans-63.3-43.1-179.9-71.8-24.7000111.8M125 H127 Y131 R132 E133M125-D129 PolarHBondContact O-N 3.48Å; H127-D129 PolarHBondContact O-N 3.5Å; D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 2.97Å; D129-R132 WeakPolarHBondContact O-CB 3.43Å; D129-R132 PolarHBondContact O-N 3.08Å; D129-R132 VanDerWaalsContact O-N 3.14Å; D129-R132 IonicContact OD1-CZ 3.91Å; D129-R132 IonicContact OD1-NH1 2.68Å; D129-R132 PolarHBondContact OD1-NH1 2.97Å; D129-E133 WeakPolarHBondContact O-CG 3.44Å; D129-E133 PolarHBondContact O-N 3.18Å
130R96.4Very high94.1Very high96 Ų9657.7 Ų57.736%0.36230%0.301SS..Hα-helixtrans-57.7-42.5172.1-175.5178.866.3-158.52.5112N87 G126 H127 M128 R132 E133 E134N87-R130 VanDerWaalsContact CG-NH2 3.34Å; N87-R130 PolarHBondContact OD1-NH2 3.16Å; G126-R130 PolarHBondContact O-N 2.98Å; G126-R130 VanDerWaalsContact O-N 3.14Å; H127-R130 PolarHBondContact ND1-NH2 3.32Å; H127-R130 PolarHBondContact O-N 3.45Å; M128-R130 PolarHBondContact O-N 2.6Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R130-R132 PolarHBondContact O-N 3.07Å; R130-E133 PolarHBondContact O-N 3.05Å; R130-E134 VanDerWaalsContact O-CG 3.32Å; R130-E134 WeakPolarHBondContact O-CG 3.45Å; R130-E134 PolarHBondContact O-N 3.12Å
131Y96.3Very high94.1Very high1 Ų161.1 Ų61.10%0.00432%0.317CS..Hα-helixtrans-63.9-39.2177.5-63.6-20.9000112.2I83 I86 N87 K105 V108 H127 M128 D129 E134 V135I83-Y131 HydrophobicContact CG1-CE2 4.41Å; I86-Y131 HydrophobicContact CD1-CE2 4.35Å; I86-Y131 HydrophobicContact CG2-CE1 3.87Å; I86-Y131 HydrophobicContact CG2-CE2 4.5Å; I86-Y131 VanDerWaalsContact CG2-OH 3.27Å; I86-Y131 WeakPolarHBondContact CG2-OH 3.2Å; N87-Y131 VanDerWaalsContact CG-OH 3.23Å; N87-Y131 PolarHBondContact ND2-OH 3.18Å; N87-Y131 PolarHBondContact OD1-OH 3.01Å; K105-Y131 HydrophobicContact CB-CD1 4.47Å; K105-Y131 HydrophobicContact CB-CD2 4.3Å; K105-Y131 HydrophobicContact CB-CG 4.03Å; K105-Y131 HydrophobicContact CD-CD1 3.83Å; K105-Y131 HydrophobicContact CD-CE1 4.37Å; K105-Y131 HydrophobicContact CD-CG 4.21Å; K105-Y131 HydrophobicContact CG-CD1 3.72Å; K105-Y131 HydrophobicContact CG-CD2 4.13Å; K105-Y131 HydrophobicContact CG-CE1 4.1Å; K105-Y131 HydrophobicContact CG-CE2 4.47Å; K105-Y131 HydrophobicContact CG-CG 3.76Å; V108-Y131 HydrophobicContact CB-CD2 4.31Å; V108-Y131 HydrophobicContact CB-CE2 4.36Å; V108-Y131 HydrophobicContact CG1-CD2 4.13Å; V108-Y131 HydrophobicContact CG1-CE2 4.09Å; V108-Y131 HydrophobicContact CG2-CE2 4.48Å; H127-Y131 HydrophobicContact CB-CE2 4.31Å; H127-Y131 WeakPolarHBondContact O-CD1 3.41Å; H127-Y131 WeakPolarHBondContact O-CD2 3.16Å; H127-Y131 PolarHBondContact O-N 3.25Å; M128-Y131 WeakPolarHBondContact O-CB 3.45Å; M128-Y131 PolarHBondContact O-N 3.41Å; M128-Y131 VanDerWaalsContact O-N 3.13Å; D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 2.97Å; Y131-E134 PolarHBondContact O-N 3.45Å; Y131-V135 VanDerWaalsContact O-CG2 3.24Å; Y131-V135 WeakPolarHBondContact O-CG2 3.42Å; Y131-V135 PolarHBondContact O-N 2.9Å
132R95.3Very high93.9Very high50 Ų5061.6 Ų61.619%0.18932%0.317CS..Hα-helixtrans-60.6-47.6174.9-67.1175.3173.2157.5-11111I109 T113 M128 D129 R130 E134 V135 L136 I153I109-R132 HydrophobicContact CD1-CG 3.8Å; I109-R132 HydrophobicContact CG1-CG 4.05Å; I109-R132 HydrophobicContact CG2-CG 4.32Å; T113-R132 VanDerWaalsContact CG2-NH2 3.34Å; M128-R132 VanDerWaalsContact CE-NH1 3.33Å; M128-R132 WeakPolarHBondContact O-CG 3.4Å; M128-R132 PolarHBondContact O-N 2.97Å; M128-R132 PolarHBondContact SD-NH2 3.18Å; D129-R132 WeakPolarHBondContact O-CB 3.43Å; D129-R132 PolarHBondContact O-N 3.08Å; D129-R132 VanDerWaalsContact O-N 3.14Å; D129-R132 IonicContact OD1-CZ 3.91Å; D129-R132 IonicContact OD1-NH1 2.68Å; D129-R132 PolarHBondContact OD1-NH1 2.97Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R130-R132 PolarHBondContact O-N 3.07Å; R132-E134 PolarHBondContact O-N 2.84Å; R132-V135 PolarHBondContact O-N 3.05Å; R132-L136 WeakPolarHBondContact O-CB 3.34Å; R132-L136 VanDerWaalsContact O-CG 3.26Å; R132-L136 WeakPolarHBondContact O-CG 3.32Å; R132-L136 PolarHBondContact O-N 3.39Å; R132-I153 HydrophobicContact CB-CG2 3.72Å; R132-I153 HydrophobicContact CG-CG2 3.87Å
133E95.5Very high93.7Very high137 Ų13758.8 Ų58.864%0.6431%0.309SS*.Hα-helixtrans-58.5-46.1177.9-70.3177.6177.100112D129 R130 V135 L136 A137D129-E133 WeakPolarHBondContact O-CG 3.44Å; D129-E133 PolarHBondContact O-N 3.18Å; R130-E133 PolarHBondContact O-N 3.05Å; E133-V135 PolarHBondContact O-N 3.17Å; E133-L136 PolarHBondContact O-N 3.04Å; E133-A137 WeakPolarHBondContact O-CB 3.35Å; E133-A137 PolarHBondContact O-N 3.21Å
134E94.9Very high93.3Very high62 Ų6253.6 Ų53.629%0.2929%0.291SS..Hα-helixtrans-61.7-44178.4-72.6173.3176.500112.2K105 R130 Y131 R132 A137 I138K105-E134 WeakPolarHBondContact CD-OE2 3.46Å; K105-E134 WeakPolarHBondContact CE-OE2 3.29Å; K105-E134 IonicContact NZ-OE2 2.6Å; K105-E134 PolarHBondContact NZ-OE2 3.48Å; R130-E134 VanDerWaalsContact O-CG 3.32Å; R130-E134 WeakPolarHBondContact O-CG 3.45Å; R130-E134 PolarHBondContact O-N 3.12Å; Y131-E134 PolarHBondContact O-N 3.45Å; R132-E134 PolarHBondContact O-N 2.84Å; E134-A137 PolarHBondContact O-N 2.97Å; E134-I138 WeakPolarHBondContact O-CG1 3.45Å; E134-I138 PolarHBondContact O-N 2.96Å; E134-I138 VanDerWaalsContact O-N 3.12Å
135V94.8Very high93Very high2 Ų255.1 Ų55.11%0.01231%0.312CS..Hα-helixtrans-66.8-42.9177.8179.40000110.9I102 L106 Y131 R132 E133 A137 I138 L139 I153I102-V135 HydrophobicContact CG2-CG2 4.22Å; L106-V135 HydrophobicContact CD2-CG1 4.09Å; L106-V135 HydrophobicContact CD2-CG2 4.17Å; L106-V135 HydrophobicContact CG-CG2 4.36Å; Y131-V135 VanDerWaalsContact O-CG2 3.24Å; Y131-V135 WeakPolarHBondContact O-CG2 3.42Å; Y131-V135 PolarHBondContact O-N 2.9Å; R132-V135 PolarHBondContact O-N 3.05Å; E133-V135 PolarHBondContact O-N 3.17Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.19Å; V135-I138 WeakPolarHBondContact O-CB 3.44Å; V135-I138 PolarHBondContact O-N 2.97Å; V135-I138 VanDerWaalsContact O-N 3.16Å; V135-L139 HydrophobicContact CG1-CD1 4.33Å; V135-L139 HydrophobicContact CG1-CG 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.44Å; V135-L139 PolarHBondContact O-N 2.76Å; V135-I153 HydrophobicContact CB-CD1 3.93Å; V135-I153 HydrophobicContact CG1-CD1 3.34Å
136L94.4Very high92.7Very high53 Ų5358.8 Ų58.828%0.27733%0.329SS..Hα-helixtrans-61.6-39.9176.5-72.4171.3000111.7R132 E133 I138 L139 H140 K150 I153 T154R132-L136 WeakPolarHBondContact O-CB 3.34Å; R132-L136 VanDerWaalsContact O-CG 3.26Å; R132-L136 WeakPolarHBondContact O-CG 3.32Å; R132-L136 PolarHBondContact O-N 3.39Å; E133-L136 PolarHBondContact O-N 3.04Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.44Å; L136-L139 PolarHBondContact O-N 3Å; L136-H140 WeakPolarHBondContact O-CB 3.4Å; L136-H140 PolarHBondContact O-N 3.35Å; L136-K150 HydrophobicContact CD2-CG 3.89Å; L136-I153 HydrophobicContact CD1-CG2 4Å; L136-I153 HydrophobicContact CD2-CB 4.48Å; L136-I153 HydrophobicContact CD2-CG2 4.05Å; L136-I153 HydrophobicContact CG-CG2 3.84Å; L136-T154 HydrophobicContact CD1-CG2 4.45Å; L136-T154 HydrophobicContact CD2-CG2 4.3Å
137A93.7Very high92.4Very high52 Ų5258.5 Ų58.543%0.4332%0.32SS..Hα-helixtrans-62.1-38.1175.200000112.1E133 E134 V135 K141E133-A137 WeakPolarHBondContact O-CB 3.35Å; E133-A137 PolarHBondContact O-N 3.21Å; E134-A137 PolarHBondContact O-N 2.97Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.19Å; A137-K141 WeakPolarHBondContact O-CG 3.31Å; A137-K141 PolarHBondContact O-N 3.03Å
138I92.9Very high91.9Very high17 Ų1761.8 Ų61.89%0.08734%0.342CS..Hα-helixtrans-65.9-48.5173.6-71.8172.6000110.8T17 L19 I102 E134 V135 L136 H140 K141 L142T17-I138 HydrophobicContact CG2-CG2 4.26Å; L19-I138 HydrophobicContact CD2-CD1 4.29Å; L19-I138 HydrophobicContact CD2-CG2 3.92Å; I102-I138 HydrophobicContact CD1-CD1 3.31Å; I102-I138 HydrophobicContact CG1-CD1 3.59Å; E134-I138 WeakPolarHBondContact O-CG1 3.45Å; E134-I138 PolarHBondContact O-N 2.96Å; E134-I138 VanDerWaalsContact O-N 3.12Å; V135-I138 WeakPolarHBondContact O-CB 3.44Å; V135-I138 PolarHBondContact O-N 2.97Å; V135-I138 VanDerWaalsContact O-N 3.16Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.44Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-N 2.84Å; I138-K141 CarbonylContact O-C 3.48Å; I138-K141 WeakPolarHBondContact O-CB 3.47Å; I138-K141 PolarHBondContact O-N 3.07Å; I138-K141 VanDerWaalsContact O-N 3.1Å; I138-L142 HydrophobicContact CG2-CD1 3.94Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 2.84Å
139L92Very high91.6Very high20 Ų2064 Ų6411%0.10535%0.354CS..Hα-helixtrans-58.8-40178.3-70.5176.7000112V135 L136 L142 G143 A144 L149 K150 I153V135-L139 HydrophobicContact CG1-CD1 4.33Å; V135-L139 HydrophobicContact CG1-CG 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.44Å; V135-L139 PolarHBondContact O-N 2.76Å; L136-L139 PolarHBondContact O-N 3Å; L139-L142 PolarHBondContact O-N 3.47Å; L139-G143 PolarHBondContact O-N 3.02Å; L139-A144 HydrophobicContact CB-CB 4.14Å; L139-A144 HydrophobicContact CD2-CB 3.83Å; L139-A144 WeakPolarHBondContact O-CB 3.49Å; L139-A144 PolarHBondContact O-N 3.29Å; L139-L149 HydrophobicContact CD1-CD2 4.31Å; L139-L149 HydrophobicContact CD1-CG 4.25Å; L139-L149 HydrophobicContact CD2-CD2 4.24Å; L139-K150 HydrophobicContact CD1-CB 4.16Å; L139-I153 HydrophobicContact CD1-CD1 4.37Å
140H91.3Very high91.2Very high160 Ų16063.6 Ų63.674%0.74135%0.349SS*.Hα-helixtrans-61.4-48.3173.9179.5-88.9000111.5L136 I138 L142 G143L136-H140 WeakPolarHBondContact O-CB 3.4Å; L136-H140 PolarHBondContact O-N 3.35Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-N 2.84Å; H140-L142 VanDerWaalsContact C-N 3.31Å; H140-L142 PolarHBondContact O-N 2.95Å; H140-G143 PolarHBondContact O-N 2.9Å
141K90.6Very high90.7Very high103 Ų10362.6 Ų62.645%0.44835%0.347SS..Hα-helixtrans-61.8-36.8175.5-76.4-179.6175.6-172.50112.5N15 G16 T17 A137 I138 G143N15-K141 PolarHBondContact ND2-O 3.04Å; G16-K141 PolarHBondContact O-NZ 3.35Å; T17-K141 HydrophobicContact CG2-CB 3.44Å; T17-K141 VanDerWaalsContact CG2-CB 3.44Å; T17-K141 HydrophobicContact CG2-CD 4.03Å; T17-K141 HydrophobicContact CG2-CG 4.42Å; A137-K141 WeakPolarHBondContact O-CG 3.31Å; A137-K141 PolarHBondContact O-N 3.03Å; I138-K141 CarbonylContact O-C 3.48Å; I138-K141 WeakPolarHBondContact O-CB 3.47Å; I138-K141 PolarHBondContact O-N 3.07Å; I138-K141 VanDerWaalsContact O-N 3.1Å; K141-G143 PolarHBondContact O-N 3.48Å
142L88.2Confident90.1Very high76 Ų7665.7 Ų65.740%0.39836%0.363SS..THydrogen-bonded Turntrans-70.1-10.3174.7-67.4175.1000113.2T17 L19 I138 L139 H140 A144T17-L142 HydrophobicContact CG2-CD2 3.79Å; T17-L142 HydrophobicContact CG2-CG 3.94Å; L19-L142 HydrophobicContact CD1-CD1 4.21Å; L19-L142 HydrophobicContact CD1-CD2 4.19Å; I138-L142 HydrophobicContact CG2-CD1 3.94Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 2.84Å; L139-L142 PolarHBondContact O-N 3.47Å; H140-L142 VanDerWaalsContact C-N 3.31Å; H140-L142 PolarHBondContact O-N 2.95Å; L142-A144 HydrophobicContact CB-CB 4.43Å; L142-A144 PolarHBondContact O-N 3.44Å
143G88Confident89.7Confident59 Ų5963.6 Ų63.661%0.60836%0.356SS*.THydrogen-bonded Turntrans65.530.2-172.300000112.3L139 H140 K141 G145L139-G143 PolarHBondContact O-N 3.02Å; H140-G143 PolarHBondContact O-N 2.9Å; K141-G143 PolarHBondContact O-N 3.48Å; G143-G145 PolarHBondContact O-N 3.31Å
144A84.9Confident89.1Confident37 Ų3760 Ų6031%0.30634%0.344SS..  trans-67.41-170.100000115.1L139 L142L139-A144 HydrophobicContact CB-CB 4.14Å; L139-A144 HydrophobicContact CD2-CB 3.83Å; L139-A144 WeakPolarHBondContact O-CB 3.49Å; L139-A144 PolarHBondContact O-N 3.29Å; L142-A144 HydrophobicContact CB-CB 4.43Å; L142-A144 PolarHBondContact O-N 3.44Å
145G88.3Confident88.1Confident51 Ų5159.2 Ų59.253%0.52635%0.351SS..  trans53.4-147177.800000113G143G143-G145 PolarHBondContact O-N 3.31Å
146E87.9Confident86.9Confident118 Ų11864.8 Ų64.855%0.55138%0.377SS*.SBendtrans-83.5114.9168.5-68.7-52.8131.600109.8K150E146-K150 IonicContact OE1-NZ 2.86Å; E146-K150 PolarHBondContact OE1-NZ 3.14Å; E146-K150 IonicContact OE2-NZ 3.89Å
147C88.7Confident85.2Confident34 Ų3465.9 Ų65.923%0.2338%0.383CS..  trans-135.1158.8-179.173.80000111.5L149 K150 K151C147-L149 PolarHBondContact O-N 3.06Å; C147-K150 WeakPolarHBondContact O-CB 3.15Å; C147-K150 PolarHBondContact O-N 3.49Å; C147-K150 VanDerWaalsContact O-N 3.1Å; C147-K150 PolarHBondContact SG-N 3.25Å; C147-K150 VanDerWaalsContact SG-N 3.41Å; C147-K151 PolarHBondContact O-N 3.04Å; C147-K151 VanDerWaalsContact O-N 3.1Å
148T86.9Confident83.3Confident99 Ų9975.3 Ų75.361%0.60742%0.418SS*.Hα-helixtrans-55.2-40.4-179.6-50.10000112K150 K151 L152T148-K150 PolarHBondContact O-N 2.88Å; T148-K151 PolarHBondContact O-N 2.87Å; T148-L152 HydrophobicContact CG2-CD1 4.06Å; T148-L152 HydrophobicContact CG2-CG 4.41Å; T148-L152 WeakPolarHBondContact O-CB 3.42Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 3.46Å
149L87.1Confident82.9Confident48 Ų4878.2 Ų78.225%0.25143%0.434SS..Hα-helixtrans-63.1-42.9179.2-17559000112L106 W110 L139 C147 K151 L152 I153L106-L149 HydrophobicContact CD1-CD1 4.17Å; L106-L149 HydrophobicContact CD1-CD2 4.14Å; L106-L149 HydrophobicContact CD2-CD1 3.75Å; W110-L149 HydrophobicContact CZ2-CD1 4.11Å; L139-L149 HydrophobicContact CD1-CD2 4.31Å; L139-L149 HydrophobicContact CD1-CG 4.25Å; L139-L149 HydrophobicContact CD2-CD2 4.24Å; C147-L149 PolarHBondContact O-N 3.06Å; L149-K151 PolarHBondContact O-N 3.07Å; L149-L152 PolarHBondContact O-N 3.02Å; L149-I153 HydrophobicContact CD1-CD1 4.08Å; L149-I153 HydrophobicContact CD1-CG1 4.44Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 WeakPolarHBondContact O-CD1 3.3Å; L149-I153 VanDerWaalsContact O-CG1 3.25Å; L149-I153 WeakPolarHBondContact O-CG1 3.33Å; L149-I153 PolarHBondContact O-N 3.35Å
150K87.9Confident82.4Confident61 Ų6181.3 Ų81.327%0.26545%0.452SS..Hα-helixtrans-59.3-48.3176-174.3-178.3178.5-171.30110.7L136 L139 E146 C147 T148 L152 I153 T154L136-K150 HydrophobicContact CD2-CG 3.89Å; L139-K150 HydrophobicContact CD1-CB 4.16Å; E146-K150 IonicContact OE1-NZ 2.86Å; E146-K150 PolarHBondContact OE1-NZ 3.14Å; E146-K150 IonicContact OE2-NZ 3.89Å; C147-K150 WeakPolarHBondContact O-CB 3.15Å; C147-K150 PolarHBondContact O-N 3.49Å; C147-K150 VanDerWaalsContact O-N 3.1Å; C147-K150 PolarHBondContact SG-N 3.25Å; C147-K150 VanDerWaalsContact SG-N 3.41Å; T148-K150 PolarHBondContact O-N 2.88Å; K150-L152 PolarHBondContact O-N 3.34Å; K150-I153 PolarHBondContact O-N 3.17Å; K150-I153 VanDerWaalsContact O-N 3.16Å; K150-T154 WeakPolarHBondContact O-CG2 2.82Å; K150-T154 PolarHBondContact O-N 3.29Å; K150-T154 PolarHBondContact O-OG1 3.16Å; K150-T154 VanDerWaalsContact O-OG1 3.05Å
151K85.8Confident81.9Confident74 Ų7476.9 Ų76.932%0.32244%0.436SS..Hα-helixtrans-63.2-38179.6-67.1-174.8175.3-173.80113.6C147 T148 L149 T154 G155 E156 I157C147-K151 PolarHBondContact O-N 3.04Å; C147-K151 VanDerWaalsContact O-N 3.1Å; T148-K151 PolarHBondContact O-N 2.87Å; L149-K151 PolarHBondContact O-N 3.07Å; K151-T154 WeakPolarHBondContact CA-OG1 3.27Å; K151-T154 PolarHBondContact O-OG1 3.21Å; K151-G155 PolarHBondContact O-N 2.68Å; K151-G155 VanDerWaalsContact O-N 3.13Å; K151-E156 HydrophobicContact CB-CB 4.04Å; K151-E156 HydrophobicContact CG-CB 4.31Å; K151-E156 PolarHBondContact O-N 3.47Å; K151-I157 HydrophobicContact CB-CD1 3.62Å; K151-I157 HydrophobicContact CB-CG1 3.88Å; K151-I157 HydrophobicContact CD-CD1 3.69Å; K151-I157 HydrophobicContact CD-CG1 4.26Å; K151-I157 HydrophobicContact CG-CD1 4.31Å; K151-I157 PolarHBondContact O-N 3.01Å
152L83.1Confident81.4Confident66 Ų6675.4 Ų75.435%0.34644%0.435SS..Hα-helixtrans-64.3-41.4173.8-74.7167.5000111.4T148 L149 K150 G155 I157T148-L152 HydrophobicContact CG2-CD1 4.06Å; T148-L152 HydrophobicContact CG2-CG 4.41Å; T148-L152 WeakPolarHBondContact O-CB 3.42Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 3.46Å; L149-L152 PolarHBondContact O-N 3.02Å; K150-L152 PolarHBondContact O-N 3.34Å; L152-G155 PolarHBondContact O-N 3.28Å; L152-I157 HydrophobicContact CD2-CB 4.38Å; L152-I157 HydrophobicContact CD2-CG2 4.32Å
153I85.9Confident80.9Confident7 Ų775.3 Ų75.34%0.03644%0.437CS..Hα-helixtrans-69.9-38.5180-69.6165.4000111.6L106 R132 V135 L136 L139 L149 K150 G155L106-I153 HydrophobicContact CD2-CD1 3.98Å; L106-I153 HydrophobicContact CD2-CG1 4.33Å; R132-I153 HydrophobicContact CB-CG2 3.72Å; R132-I153 HydrophobicContact CG-CG2 3.87Å; V135-I153 HydrophobicContact CB-CD1 3.93Å; V135-I153 HydrophobicContact CG1-CD1 3.34Å; L136-I153 HydrophobicContact CD1-CG2 4Å; L136-I153 HydrophobicContact CD2-CB 4.48Å; L136-I153 HydrophobicContact CD2-CG2 4.05Å; L136-I153 HydrophobicContact CG-CG2 3.84Å; L139-I153 HydrophobicContact CD1-CD1 4.37Å; L149-I153 HydrophobicContact CD1-CD1 4.08Å; L149-I153 HydrophobicContact CD1-CG1 4.44Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 WeakPolarHBondContact O-CD1 3.3Å; L149-I153 VanDerWaalsContact O-CG1 3.25Å; L149-I153 WeakPolarHBondContact O-CG1 3.33Å; L149-I153 PolarHBondContact O-N 3.35Å; K150-I153 PolarHBondContact O-N 3.17Å; K150-I153 VanDerWaalsContact O-N 3.16Å; I153-G155 VanDerWaalsContact C-N 3.28Å; I153-G155 PolarHBondContact O-N 3.34Å
154T83.7Confident80.5Confident62 Ų6276.4 Ų76.438%0.3843%0.426SS..Hα-helixtrans-81.7-4.1179.356.20000113.6L136 K150 K151 E156L136-T154 HydrophobicContact CD1-CG2 4.45Å; L136-T154 HydrophobicContact CD2-CG2 4.3Å; K150-T154 WeakPolarHBondContact O-CG2 2.82Å; K150-T154 PolarHBondContact O-N 3.29Å; K150-T154 PolarHBondContact O-OG1 3.16Å; K150-T154 VanDerWaalsContact O-OG1 3.05Å; K151-T154 WeakPolarHBondContact CA-OG1 3.27Å; K151-T154 PolarHBondContact O-OG1 3.21Å; T154-E156 VanDerWaalsContact C-N 3.29Å; T154-E156 PolarHBondContact O-N 3.07Å; T154-E156 VanDerWaalsContact OG1-CD 3.3Å; T154-E156 WeakPolarHBondContact OG1-CG 3.35Å; T154-E156 PolarHBondContact OG1-OE1 2.73Å
155G72.9Confident80.1Confident44 Ų4479.2 Ų79.245%0.45443%0.434SS..THydrogen-bonded Turntrans74.117.2-178.900000114.1K151 L152 I153 I157K151-G155 PolarHBondContact O-N 2.68Å; K151-G155 VanDerWaalsContact O-N 3.13Å; L152-G155 PolarHBondContact O-N 3.28Å; I153-G155 VanDerWaalsContact C-N 3.28Å; I153-G155 PolarHBondContact O-N 3.34Å; G155-I157 VanDerWaalsContact C-N 3.26Å
156E70.1Confident79.5Confident119 Ų11981.4 Ų81.456%0.55643%0.427SS*.SBendtrans-76.2-14.8175.5-71171-132.400112.9K151 T154K151-E156 HydrophobicContact CB-CB 4.04Å; K151-E156 HydrophobicContact CG-CB 4.31Å; K151-E156 PolarHBondContact O-N 3.47Å; T154-E156 VanDerWaalsContact C-N 3.29Å; T154-E156 PolarHBondContact O-N 3.07Å; T154-E156 VanDerWaalsContact OG1-CD 3.3Å; T154-E156 WeakPolarHBondContact OG1-CG 3.35Å; T154-E156 PolarHBondContact OG1-OE1 2.73Å
157I60.3Low78.8Confident76 Ų7678.3 Ų78.339%0.3942%0.417SS..  trans-132.5124172.1-60.3171.7000107.2K151 L152 G155K151-I157 HydrophobicContact CB-CD1 3.62Å; K151-I157 HydrophobicContact CB-CG1 3.88Å; K151-I157 HydrophobicContact CD-CD1 3.69Å; K151-I157 HydrophobicContact CD-CG1 4.26Å; K151-I157 HydrophobicContact CG-CD1 4.31Å; K151-I157 PolarHBondContact O-N 3.01Å; L152-I157 HydrophobicContact CD2-CB 4.38Å; L152-I157 HydrophobicContact CD2-CG2 4.32Å; G155-I157 VanDerWaalsContact C-N 3.26Å
158Q53.5Low77.9Confident250 Ų25082.4 Ų82.4100%1.16843%0.434SS*.  trans-118.90172.3-73.4-174.4-18.500109.9

Retrieved 158 of 158 residues in 83 ms (Link to these results)

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