A0A087WZS1_HUMAN Loading...

Transcriptional adaptor 2A

AlphaFold DB , UniProt , Accession A0A087WZS1, Species HUMAN (Homo sapiens, Human), Gene TADA2A, Length 95 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
1M37.5Very low44.7Very low232 Ų232146.1 Ų146.1100%1.14379%0.786SS**  0122.90-67.798.2175.500107.3
2D34.5Very low46Very low150 Ų150140.5 Ų140.580%0.80277%0.767SS**  trans-59.8136.8-156.4-58.9-86.3000113.7L4D2-L4 PolarHBondContact O-N 3.29Å
3R42.8Very low48.3Very low250 Ų250138.2 Ų138.294%0.94375%0.753SS**  trans-64.787.6166.3-76.4-179.8147.5-172.4-7.5107.6G5R3-G5 PolarHBondContact O-N 2.68Å
4L46.7Very low50.8Low155 Ų155135.8 Ų135.881%0.81273%0.732SS**  trans-52.4123.1164.5-73.2162.3000106.9D2D2-L4 PolarHBondContact O-N 3.29Å
5G39.4Very low53.6Low54 Ų54128.8 Ų128.856%0.55770%0.697SS**  trans-53.1152-172.500000112R3 F7R3-G5 PolarHBondContact O-N 2.68Å; G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 2.98Å
6S42.6Very low56.2Low113 Ų113124.9 Ų124.979%0.7968%0.68SS**  trans-52.798.5169.7-65.70000109.3S8S6-S8 WeakPolarHBondContact CB-OG 3.11Å; S6-S8 PolarHBondContact O-N 2.84Å
7F39.1Very low58.6Low191 Ų191117.7 Ų117.784%0.83864%0.641SS**  trans-68.275.4153.6-72.5-81.2000105.9G5 N9G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 2.98Å; F7-N9 PolarHBondContact O-N 2.77Å
8S47.7Very low60.8Low86 Ų86117.6 Ų117.660%0.60163%0.63SS**  trans-7377.7170.9-62.20000107.6S6S6-S8 WeakPolarHBondContact CB-OG 3.11Å; S6-S8 PolarHBondContact O-N 2.84Å
9N48.3Very low62.7Low151 Ų151112.7 Ų112.781%0.80761%0.61SS**  trans-168.257.6165.6-82-31.1000106.8F7 P11F7-N9 PolarHBondContact O-N 2.77Å; N9-P11 WeakPolarHBondContact O-CD 3.38Å
10D57.1Low64.4Low92 Ų92110.2 Ų110.249%0.49260%0.6SS.*  trans-61.2125.9159.8-170-36.5000106.3S12 D13D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3.34Å; D10-D13 HydrophobicContact CB-CB 4.33Å; D10-D13 WeakPolarHBondContact O-CB 3.32Å; D10-D13 PolarHBondContact O-N 3.45Å
11P56.5Low66Low133 Ų133109.6 Ų109.686%0.86461%0.605SS**THydrogen-bonded Turntrans-51.4-23173.3-25.434.3000113.3N9N9-P11 WeakPolarHBondContact O-CD 3.38Å
12S59.5Low68.8Low79 Ų79101.2 Ų101.255%0.55257%0.569SS**THydrogen-bonded Turntrans-82.3-14.5177.5-151.90000114.5D10 K14D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3.34Å; S12-K14 PolarHBondContact O-N 3.09Å
13D75.8Confident71.7Confident111 Ų111102.6 Ų102.659%0.59456%0.564SS**  trans-70.995-179.1-88.1-27000110.9D10 P15D10-D13 HydrophobicContact CB-CB 4.33Å; D10-D13 WeakPolarHBondContact O-CB 3.32Å; D10-D13 PolarHBondContact O-N 3.45Å; D13-P15 WeakPolarHBondContact O-CD 3.33Å
14K84.2Confident74.2Confident104 Ų10490.8 Ų90.845%0.45252%0.52SS..PPolyproline II helixtrans-61.3119.2175.9-72.3167.8-177.2171.40110.1S12 Y23 L24 M25S12-K14 PolarHBondContact O-N 3.09Å; K14-Y23 VanDerWaalsContact O-CD1 3.27Å; K14-Y23 WeakPolarHBondContact O-CD1 3.36Å; K14-L24 WeakPolarHBondContact CB-O 3.44Å; K14-L24 WeakPolarHBondContact CD-O 3.41Å; K14-L24 WeakPolarHBondContact CG-O 3.48Å; K14-M25 HydrophobicContact CD-SD 3.72Å; K14-M25 VanDerWaalsContact CE-SD 3.59Å; K14-M25 PolarHBondContact NZ-SD 2.97Å
15P91.7Very high76.4Confident31 Ų3189.3 Ų89.320%0.20151%0.51CS..PPolyproline II helixtrans-68.7153.3179.524-29.3000111.4D13 L24 Y28 F40D13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-L24 HydrophobicContact CB-CD1 4.47Å; P15-L24 HydrophobicContact CG-CD1 4.09Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.17Å; P15-L24 WeakPolarHBondContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CG 3.47Å; P15-L24 PolarHBondContact O-N 2.75Å; P15-Y28 HydrophobicContact CG-CE2 4.38Å; P15-F40 HydrophobicContact CB-CD2 3.78Å; P15-F40 HydrophobicContact CB-CE2 3.97Å; P15-F40 HydrophobicContact CG-CD2 3.98Å; P15-F40 HydrophobicContact CG-CE2 4.08Å; P15-F40 HydrophobicContact CG-CG 4.49Å
16P95.8Very high79Confident66 Ų6690.7 Ų90.743%0.42950%0.502SS..BIsolated β-bridgetrans-78.9144.3175.531-34.1000112.1R18P16-R18 PolarHBondContact O-N 3.18Å
17C97.6Very high81.6Confident3 Ų388.1 Ų88.12%0.0248%0.483CS..PPolyproline II helixtrans-63.5130.4169.9179.10000110.7G19 C20 S21 S22 L24 C42C17-G19 PolarHBondContact O-N 3.22Å; C17-G19 PolarHBondContact SG-N 2.83Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; C17-C20 PolarHBondContact SG-SG 2.86Å; C17-S21 VanDerWaalsContact O-CA 3.22Å; C17-S21 WeakPolarHBondContact O-CA 3.47Å; C17-S21 PolarHBondContact O-N 3.28Å; C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.43Å; C17-L24 HydrophobicContact CB-CD2 3.74Å; C17-L24 HydrophobicContact CB-CG 4.28Å; C17-C42 HydrophobicContact CB-CB 4.35Å; C17-C42 PolarHBondContact SG-N 3.1Å
18R97.1Very high84.4Confident115 Ų11580.4 Ų80.443%0.43445%0.448SS..THydrogen-bonded Turntrans-70.5-16.6177.8-60.2-67.2-88.5-159.8-9.8113.7P16 F39 F40 L41P16-R18 PolarHBondContact O-N 3.18Å; R18-F39 HydrophobicContact CB-CD1 4.23Å; R18-F39 HydrophobicContact CB-CD2 4.22Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.82Å; R18-F39 HydrophobicContact CB-CG 4.41Å; R18-F39 HydrophobicContact CB-CZ 3.62Å; R18-F39 HydrophobicContact CG-CD1 4.18Å; R18-F39 HydrophobicContact CG-CD2 3.97Å; R18-F39 HydrophobicContact CG-CE1 4.29Å; R18-F39 HydrophobicContact CG-CE2 4.09Å; R18-F39 HydrophobicContact CG-CG 4.02Å; R18-F39 HydrophobicContact CG-CZ 4.25Å; R18-F40 WeakPolarHBondContact CB-O 3.23Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 2.76Å; R18-L41 HydrophobicContact CB-CD2 4.25Å
19G97.3Very high86.8Confident25 Ų2576.7 Ų76.726%0.25842%0.422SS..THydrogen-bonded Turntrans-91.8-42.2179.900000115C17 F50C17-G19 PolarHBondContact O-N 3.22Å; C17-G19 PolarHBondContact SG-N 2.83Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å
20C97.6Very high89.2Confident62 Ų6272.5 Ų72.542%0.41940%0.396SS..THydrogen-bonded Turntrans-123.60.6-174.461.50000114.6C17 S22 C42C17-C20 PolarHBondContact SG-SG 2.86Å; C20-S22 PolarHBondContact O-N 3.47Å; C20-S22 PolarHBondContact SG-OG 3.26Å; C20-C42 VanDerWaalsContact SG-SG 3.7Å
21S96.6Very high91.2Very high99 Ų9968.4 Ų68.469%0.69238%0.375SS*.  trans62.13.1179.9-52.30000116C17C17-S21 VanDerWaalsContact O-CA 3.22Å; C17-S21 WeakPolarHBondContact O-CA 3.47Å; C17-S21 PolarHBondContact O-N 3.28Å
22S96.3Very high93.2Very high56 Ų5664.6 Ų64.639%0.39235%0.354SS..PPolyproline II helixtrans-69.6147.4172.265.50000110.7C17 C20C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.43Å; C20-S22 PolarHBondContact O-N 3.47Å; C20-S22 PolarHBondContact SG-OG 3.26Å
23Y95.6Very high95Very high178 Ų17865.9 Ų65.970%0.69835%0.352SS*.BIsolated β-bridgetrans-61.8138.1170.3-66.9-69.3000110.9K14K14-Y23 VanDerWaalsContact O-CD1 3.27Å; K14-Y23 WeakPolarHBondContact O-CD1 3.36Å
24L95.9Very high96Very high3 Ų361.5 Ų61.52%0.01633%0.33CS..PPolyproline II helixtrans-80140.3-176.5-68168.5000111.2K14 P15 C17 Y28 F40 C42K14-L24 WeakPolarHBondContact CB-O 3.44Å; K14-L24 WeakPolarHBondContact CD-O 3.41Å; K14-L24 WeakPolarHBondContact CG-O 3.48Å; P15-L24 HydrophobicContact CB-CD1 4.47Å; P15-L24 HydrophobicContact CG-CD1 4.09Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.17Å; P15-L24 WeakPolarHBondContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CG 3.47Å; P15-L24 PolarHBondContact O-N 2.75Å; C17-L24 HydrophobicContact CB-CD2 3.74Å; C17-L24 HydrophobicContact CB-CG 4.28Å; L24-Y28 HydrophobicContact CB-CD1 4.04Å; L24-Y28 HydrophobicContact CB-CD2 4.5Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.76Å; L24-Y28 HydrophobicContact CD1-CE2 4.21Å; L24-Y28 HydrophobicContact CD1-CG 4.05Å; L24-Y28 HydrophobicContact CD2-CG 4.46Å; L24-Y28 HydrophobicContact CG-CG 4.4Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.16Å; L24-C42 HydrophobicContact CD2-CB 3.66Å; L24-C42 VanDerWaalsContact CD2-N 3.32Å
25M92.8Very high96.4Very high123 Ų12359.2 Ų59.261%0.60634%0.336SS*.  trans-115.1143.5167.3-65.2-64.6-62.900106.8K14 P27K14-M25 HydrophobicContact CD-SD 3.72Å; K14-M25 VanDerWaalsContact CE-SD 3.59Å; K14-M25 PolarHBondContact NZ-SD 2.97Å; M25-P27 CarbonylContact O-C 3.54Å
26E94.9Very high96.4Very high83 Ų8364.1 Ų64.139%0.38837%0.367SS..SBendtrans-66.1146.6172.7-66.8-171.6170.400111.3Y28 T65 S66E26-Y28 HydrophobicContact CG-CD1 3.99Å; E26-Y28 HydrophobicContact CG-CE1 3.81Å; E26-T65 WeakPolarHBondContact OE2-CA 3.5Å; E26-S66 PolarHBondContact OE1-OG 3.05Å; E26-S66 VanDerWaalsContact OE2-CB 3.25Å; E26-S66 WeakPolarHBondContact OE2-CB 3.27Å; E26-S66 PolarHBondContact OE2-N 3.02Å; E26-S66 PolarHBondContact OE2-OG 3.17Å
27P97Very high96.2Very high60 Ų6064.6 Ų64.639%0.3937%0.37SS..SBendcis-77.9145.3-8.330.7-31.2000112M25 L43 I63 M64M25-P27 CarbonylContact O-C 3.54Å; P27-L43 HydrophobicContact CG-CD1 4.22Å; P27-L43 WeakPolarHBondContact O-CG 3.31Å; P27-I63 HydrophobicContact CB-CG2 3.96Å; P27-M64 VanDerWaalsContact CA-O 3.26Å; P27-M64 WeakPolarHBondContact CA-O 3.39Å
28Y97.8Very high96.1Very high28 Ų2867.7 Ų67.711%0.1139%0.391CS..EExtended strand (participates in β ladder)trans-133.9168.1172.863.4-89.7000111.5P15 L24 E26 F40 M64P15-Y28 HydrophobicContact CG-CE2 4.38Å; L24-Y28 HydrophobicContact CB-CD1 4.04Å; L24-Y28 HydrophobicContact CB-CD2 4.5Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.76Å; L24-Y28 HydrophobicContact CD1-CE2 4.21Å; L24-Y28 HydrophobicContact CD1-CG 4.05Å; L24-Y28 HydrophobicContact CD2-CG 4.46Å; L24-Y28 HydrophobicContact CG-CG 4.4Å; E26-Y28 HydrophobicContact CG-CD1 3.99Å; E26-Y28 HydrophobicContact CG-CE1 3.81Å; Y28-F40 HydrophobicContact CD2-CB 4.36Å; Y28-F40 HydrophobicContact CD2-CD1 4.07Å; Y28-F40 HydrophobicContact CD2-CG 4.49Å; Y28-F40 AromaticContact CE2-CD1 3.64Å; Y28-F40 HydrophobicContact CE2-CD1 3.64Å; Y28-F40 AromaticContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CG 4.2Å; Y28-M64 HydrophobicContact CD1-CB 4.04Å; Y28-M64 HydrophobicContact CD2-CB 3.82Å; Y28-M64 HydrophobicContact CD2-CG 3.86Å; Y28-M64 HydrophobicContact CE1-CB 3.7Å; Y28-M64 HydrophobicContact CE2-CB 3.5Å; Y28-M64 VanDerWaalsContact CE2-CB 3.5Å; Y28-M64 HydrophobicContact CE2-CG 3.41Å; Y28-M64 VanDerWaalsContact CE2-CG 3.41Å; Y28-M64 HydrophobicContact CG-CB 4.08Å; Y28-M64 VanDerWaalsContact CZ-CB 3.41Å; Y28-M64 PolarHBondContact N-O 2.92Å; Y28-M64 VanDerWaalsContact N-O 3.15Å; Y28-M64 PolarHBondContact O-N 2.97Å
29I98.3Very high96.1Very high9 Ų962.8 Ų62.85%0.04637%0.373CS..EExtended strand (participates in β ladder)trans-102.1131.9-174.8-55-56.9000109.9F40 L41 L43 F46 Y61 I63I29-F40 CarbonylContact O-C 3.57Å; I29-F40 VanDerWaalsContact O-CA 3.23Å; I29-F40 WeakPolarHBondContact O-CA 3.21Å; I29-L41 HydrophobicContact CB-CB 4.47Å; I29-L41 PolarHBondContact N-O 3.16Å; I29-L41 PolarHBondContact O-N 2.91Å; I29-L43 HydrophobicContact CD1-CD2 4.14Å; I29-L43 HydrophobicContact CG1-CD2 4.18Å; I29-F46 HydrophobicContact CB-CD2 4.22Å; I29-F46 HydrophobicContact CB-CG 4.39Å; I29-F46 HydrophobicContact CD1-CD1 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.93Å; I29-F46 HydrophobicContact CG1-CD1 4.01Å; I29-F46 HydrophobicContact CG1-CD2 3.95Å; I29-F46 HydrophobicContact CG1-CE2 4.47Å; I29-F46 HydrophobicContact CG1-CG 3.69Å; I29-F46 HydrophobicContact CG2-CD2 3.84Å; I29-F46 HydrophobicContact CG2-CE2 4.01Å; I29-F46 HydrophobicContact CG2-CG 4.46Å; I29-Y61 HydrophobicContact CD1-CD2 4.08Å; I29-Y61 HydrophobicContact CD1-CE2 4.26Å; I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.01Å; I29-I63 HydrophobicContact CD1-CG1 4.04Å
30K98.2Very high96.1Very high62 Ų6263.3 Ų63.327%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-107.9122.6165.3176.6-175162-149.60108.5A32 F40 Y61 E62 M64K30-A32 PolarHBondContact O-N 3.42Å; K30-F40 HydrophobicContact CB-CD1 3.72Å; K30-F40 HydrophobicContact CB-CE1 3.73Å; K30-F40 HydrophobicContact CD-CE1 3.85Å; K30-F40 HydrophobicContact CG-CD1 3.94Å; K30-F40 HydrophobicContact CG-CE1 3.59Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.37Å; K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 WeakPolarHBondContact CD-OE2 3.31Å; K30-E62 WeakPolarHBondContact CE-OE2 3.49Å; K30-E62 PolarHBondContact N-O 3.12Å; K30-E62 IonicContact NZ-OE1 3.97Å; K30-E62 IonicContact NZ-OE2 2.75Å; K30-E62 PolarHBondContact NZ-OE2 3.49Å; K30-E62 PolarHBondContact O-N 3.16Å; K30-M64 HydrophobicContact CB-CG 3.8Å; K30-M64 HydrophobicContact CB-SD 3.9Å; K30-M64 HydrophobicContact CD-SD 3.9Å
31C98.4Very high96.1Very high7 Ų760.6 Ų60.65%0.04735%0.349CS..EExtended strand (participates in β ladder)trans-68.1128171.9-177.60000109.5E33 C34 F39 H59C31-E33 VanDerWaalsContact C-N 3.31Å; C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-SG 3.25Å; C31-F39 HydrophobicContact CB-CB 4.06Å; C31-F39 HydrophobicContact CB-CD1 4.37Å; C31-F39 PolarHBondContact N-O 3.42Å; C31-H59 PolarHBondContact SG-ND1 2.54Å
32A98.2Very high96.2Very high52 Ų5256.8 Ų56.843%0.4332%0.322SS..SBendtrans-79.4-16.2-178.900000112.7K30 T60K30-A32 PolarHBondContact O-N 3.42Å; A32-T60 WeakPolarHBondContact CB-O 3.22Å; A32-T60 PolarHBondContact N-O 2.83Å
33E98.3Very high96.3Very high106 Ų10658 Ų5850%0.49532%0.324SS..SBendtrans-104.2-18.4-174.3-61.8-179.6-138.400113.5C31 H59 T60C31-E33 VanDerWaalsContact C-N 3.31Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.38Å; E33-H59 WeakPolarHBondContact OE1-CA 3.46Å; E33-H59 IonicContact OE2-CD2 3.62Å; E33-H59 IonicContact OE2-CG 3.82Å; E33-H59 IonicContact OE2-NE2 3.92Å; E33-T60 WeakPolarHBondContact CG-OG1 3.44Å; E33-T60 PolarHBondContact OE1-N 2.76Å; E33-T60 PolarHBondContact OE1-OG1 3.15Å
34C97.3Very high96.4Very high20 Ų2056.6 Ų56.614%0.13532%0.323CS..  trans-98.4123.7-174.9-72.80000112.8C31 F39 H59C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-SG 3.25Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CG 4.17Å; C34-H59 PolarHBondContact SG-ND1 2.79Å; C34-H59 VanDerWaalsContact SG-ND1 3.43Å
35G91.6Very high96.6Very high56 Ų5657.2 Ų57.258%0.57733%0.328SS*.THydrogen-bonded Turntrans164.8174.4168.200000112.7P37G35-P37 WeakPolarHBondContact CA-O 3.5Å
36P92.3Very high96.8Very high133 Ų13354 Ų5486%0.86431%0.31SS*.THydrogen-bonded Turncis-83151.5-15.531.7-32.4000113.5
37P91.4Very high97Very high76 Ų7655.4 Ų55.449%0.49433%0.325SS..THydrogen-bonded Turncis-77161.6-1.633.7-36.5000112.7G35G35-P37 WeakPolarHBondContact CA-O 3.5Å
38P94.6Very high97Very high68 Ų6863.1 Ų63.144%0.44235%0.347SS..THydrogen-bonded Turntrans-52149177.7-25.133.7000112.8F40P38-F40 HydrophobicContact CB-CD2 4.44Å; P38-F40 HydrophobicContact CB-CE1 4.32Å; P38-F40 HydrophobicContact CB-CE2 3.73Å; P38-F40 HydrophobicContact CB-CZ 3.65Å; P38-F40 HydrophobicContact CG-CZ 4.44Å
39F97.3Very high97.1Very high13 Ų1363.3 Ų63.36%0.05736%0.357CS..  trans-113.2110.1-177.7-162.7-77.4000110.7R18 C31 C34 L41 F50 H55R18-F39 HydrophobicContact CB-CD1 4.23Å; R18-F39 HydrophobicContact CB-CD2 4.22Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.82Å; R18-F39 HydrophobicContact CB-CG 4.41Å; R18-F39 HydrophobicContact CB-CZ 3.62Å; R18-F39 HydrophobicContact CG-CD1 4.18Å; R18-F39 HydrophobicContact CG-CD2 3.97Å; R18-F39 HydrophobicContact CG-CE1 4.29Å; R18-F39 HydrophobicContact CG-CE2 4.09Å; R18-F39 HydrophobicContact CG-CG 4.02Å; R18-F39 HydrophobicContact CG-CZ 4.25Å; C31-F39 HydrophobicContact CB-CB 4.06Å; C31-F39 HydrophobicContact CB-CD1 4.37Å; C31-F39 PolarHBondContact N-O 3.42Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CG 4.17Å; F39-L41 HydrophobicContact CD1-CG 4.21Å; F39-L41 HydrophobicContact CE1-CD1 4.08Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.75Å; F39-L41 HydrophobicContact CZ-CD2 4.45Å; F39-F50 HydrophobicContact CZ-CD1 4.31Å; F39-F50 HydrophobicContact CZ-CE1 4.02Å; F39-H55 HydrophobicContact CD1-CB 4.44Å; F39-H55 AromaticContact CD1-CD2 3.95Å; F39-H55 AromaticContact CD1-CG 3.96Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 4.04Å; F39-H55 AromaticContact CE1-CD2 3.17Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.4Å; F39-H55 AromaticContact CE1-CG 3.54Å; F39-H55 AromaticContact CE1-NE2 3.62Å; F39-H55 HydrophobicContact CE2-CB 3.86Å; F39-H55 HydrophobicContact CZ-CB 3.73Å; F39-H55 AromaticContact CZ-CD2 3.47Å; F39-H55 VanDerWaalsContact CZ-CD2 3.47Å; F39-H55 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H55 AromaticContact CZ-CG 3.72Å
40F97.9Very high97.1Very high36 Ų3665.6 Ų65.616%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-112.2141.8-178.7-54.8-67.1000112.2P15 R18 L24 Y28 I29 K30 P38P15-F40 HydrophobicContact CB-CD2 3.78Å; P15-F40 HydrophobicContact CB-CE2 3.97Å; P15-F40 HydrophobicContact CG-CD2 3.98Å; P15-F40 HydrophobicContact CG-CE2 4.08Å; P15-F40 HydrophobicContact CG-CG 4.49Å; R18-F40 WeakPolarHBondContact CB-O 3.23Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 2.76Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.16Å; Y28-F40 HydrophobicContact CD2-CB 4.36Å; Y28-F40 HydrophobicContact CD2-CD1 4.07Å; Y28-F40 HydrophobicContact CD2-CG 4.49Å; Y28-F40 AromaticContact CE2-CD1 3.64Å; Y28-F40 HydrophobicContact CE2-CD1 3.64Å; Y28-F40 AromaticContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CG 4.2Å; I29-F40 CarbonylContact O-C 3.57Å; I29-F40 VanDerWaalsContact O-CA 3.23Å; I29-F40 WeakPolarHBondContact O-CA 3.21Å; K30-F40 HydrophobicContact CB-CD1 3.72Å; K30-F40 HydrophobicContact CB-CE1 3.73Å; K30-F40 HydrophobicContact CD-CE1 3.85Å; K30-F40 HydrophobicContact CG-CD1 3.94Å; K30-F40 HydrophobicContact CG-CE1 3.59Å; P38-F40 HydrophobicContact CB-CD2 4.44Å; P38-F40 HydrophobicContact CB-CE1 4.32Å; P38-F40 HydrophobicContact CB-CE2 3.73Å; P38-F40 HydrophobicContact CB-CZ 3.65Å; P38-F40 HydrophobicContact CG-CZ 4.44Å
41L98.4Very high97.1Very high4 Ų467 Ų672%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-129.2142.5175.2-68.1179.9000111R18 I29 F39 C45 F46 F50 H55R18-L41 HydrophobicContact CB-CD2 4.25Å; I29-L41 HydrophobicContact CB-CB 4.47Å; I29-L41 PolarHBondContact N-O 3.16Å; I29-L41 PolarHBondContact O-N 2.91Å; F39-L41 HydrophobicContact CD1-CG 4.21Å; F39-L41 HydrophobicContact CE1-CD1 4.08Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.75Å; F39-L41 HydrophobicContact CZ-CD2 4.45Å; L41-C45 HydrophobicContact CB-CB 4.39Å; L41-C45 HydrophobicContact CD2-CB 3.93Å; L41-F46 HydrophobicContact CB-CB 4.35Å; L41-F46 HydrophobicContact CD1-CB 4.47Å; L41-F50 HydrophobicContact CD1-CB 4.36Å; L41-F50 HydrophobicContact CD1-CD1 4.43Å; L41-F50 HydrophobicContact CD2-CD1 3.76Å; L41-F50 HydrophobicContact CD2-CE1 4.37Å; L41-F50 HydrophobicContact CD2-CG 4.39Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.17Å
42C98.4Very high96.9Very high19 Ų1972.2 Ų72.213%0.12839%0.394CS..  trans-70.5158.9162.971.90000109.3C17 C20 L24 Q44 C45 F46C17-C42 HydrophobicContact CB-CB 4.35Å; C17-C42 PolarHBondContact SG-N 3.1Å; C20-C42 VanDerWaalsContact SG-SG 3.7Å; L24-C42 HydrophobicContact CD2-CB 3.66Å; L24-C42 VanDerWaalsContact CD2-N 3.32Å; C42-Q44 PolarHBondContact O-N 2.9Å; C42-Q44 VanDerWaalsContact O-N 3.16Å; C42-C45 PolarHBondContact O-N 3Å; C42-C45 VanDerWaalsContact O-N 3.13Å; C42-C45 PolarHBondContact SG-N 2.87Å; C42-C45 VanDerWaalsContact SG-N 3.4Å; C42-C45 VanDerWaalsContact SG-SG 3.65Å; C42-F46 PolarHBondContact O-N 2.93Å
43L98.1Very high96.7Very high81 Ų8177.5 Ų77.542%0.42441%0.407SS..Hα-helixtrans-57.2-33.9-179.7-58.4-179.6000112.9P27 I29 F46 T47P27-L43 HydrophobicContact CG-CD1 4.22Å; P27-L43 WeakPolarHBondContact O-CG 3.31Å; I29-L43 HydrophobicContact CD1-CD2 4.14Å; I29-L43 HydrophobicContact CG1-CD2 4.18Å; L43-F46 PolarHBondContact O-N 2.83Å; L43-T47 WeakPolarHBondContact O-CB 3.49Å; L43-T47 VanDerWaalsContact O-CG2 3.26Å; L43-T47 WeakPolarHBondContact O-CG2 3.48Å; L43-T47 PolarHBondContact O-N 2.91Å; L43-T47 PolarHBondContact O-OG1 3.16Å
44Q98.4Very high96.6Very high149 Ų14981.1 Ų81.170%0.69642%0.421SS*.Hα-helixtrans-68-40.1178.8-67.1-177-23.300112.8C42 T47 R48C42-Q44 PolarHBondContact O-N 2.9Å; C42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.45Å; Q44-R48 WeakPolarHBondContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CD 3.41Å; Q44-R48 VanDerWaalsContact O-CG 3.31Å; Q44-R48 WeakPolarHBondContact O-CG 3.25Å; Q44-R48 PolarHBondContact O-N 3.05Å
45C98.5Very high96.7Very high16 Ų1680.8 Ų80.811%0.10842%0.417CS..Hα-helixtrans-71.1-39.3175-730000111.1L41 C42 R48 F50L41-C45 HydrophobicContact CB-CB 4.39Å; L41-C45 HydrophobicContact CD2-CB 3.93Å; C42-C45 PolarHBondContact O-N 3Å; C42-C45 VanDerWaalsContact O-N 3.13Å; C42-C45 PolarHBondContact SG-N 2.87Å; C42-C45 VanDerWaalsContact SG-N 3.4Å; C42-C45 VanDerWaalsContact SG-SG 3.65Å; C45-R48 PolarHBondContact O-N 3.28Å; C45-F50 HydrophobicContact CB-CB 4.09Å; C45-F50 WeakPolarHBondContact O-CB 3.48Å; C45-F50 PolarHBondContact O-N 3.28Å; C45-F50 VanDerWaalsContact O-N 3.1Å
46F98.4Very high97Very high55 Ų5581.7 Ų81.724%0.24141%0.407CS..Hα-helixtrans-62.5-51.4177.9179-104.7000112.1I29 L41 C42 L43 R48 G49 Y61I29-F46 HydrophobicContact CB-CD2 4.22Å; I29-F46 HydrophobicContact CB-CG 4.39Å; I29-F46 HydrophobicContact CD1-CD1 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.93Å; I29-F46 HydrophobicContact CG1-CD1 4.01Å; I29-F46 HydrophobicContact CG1-CD2 3.95Å; I29-F46 HydrophobicContact CG1-CE2 4.47Å; I29-F46 HydrophobicContact CG1-CG 3.69Å; I29-F46 HydrophobicContact CG2-CD2 3.84Å; I29-F46 HydrophobicContact CG2-CE2 4.01Å; I29-F46 HydrophobicContact CG2-CG 4.46Å; L41-F46 HydrophobicContact CB-CB 4.35Å; L41-F46 HydrophobicContact CD1-CB 4.47Å; C42-F46 PolarHBondContact O-N 2.93Å; L43-F46 PolarHBondContact O-N 2.83Å; F46-R48 PolarHBondContact O-N 3.15Å; F46-R48 VanDerWaalsContact O-N 3.16Å; F46-G49 PolarHBondContact O-N 3.13Å; F46-Y61 HydrophobicContact CE2-CD1 4.02Å; F46-Y61 HydrophobicContact CE2-CE1 4.27Å; F46-Y61 HydrophobicContact CE2-CG 4.24Å; F46-Y61 AromaticContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD2 4.41Å; F46-Y61 AromaticContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE2 4.21Å; F46-Y61 HydrophobicContact CZ-CG 4.25Å; F46-Y61 AromaticContact CZ-CZ 3.82Å
47T98.1Very high97.3Very high113 Ų11378 Ų7869%0.69338%0.384SS*.Hα-helixtrans-64.1-20.6-179.750.10000114L43 Q44 G49L43-T47 WeakPolarHBondContact O-CB 3.49Å; L43-T47 VanDerWaalsContact O-CG2 3.26Å; L43-T47 WeakPolarHBondContact O-CG2 3.48Å; L43-T47 PolarHBondContact O-N 2.91Å; L43-T47 PolarHBondContact O-OG1 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.45Å; T47-G49 VanDerWaalsContact C-N 3.31Å
48R98.4Very high97.6Very high223 Ų22380.7 Ų80.784%0.84239%0.394SS*.THydrogen-bonded Turntrans-84.5-1.2173.3-76.4177.2155-175.4-5.6113.9Q44 C45 F46Q44-R48 WeakPolarHBondContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CD 3.41Å; Q44-R48 VanDerWaalsContact O-CG 3.31Å; Q44-R48 WeakPolarHBondContact O-CG 3.25Å; Q44-R48 PolarHBondContact O-N 3.05Å; C45-R48 PolarHBondContact O-N 3.28Å; F46-R48 PolarHBondContact O-N 3.15Å; F46-R48 VanDerWaalsContact O-N 3.16Å
49G98.3Very high97.8Very high32 Ų3279 Ų7933%0.3338%0.381SS..THydrogen-bonded Turntrans64.743.9-175.100000111.9F46 T47 E51F46-G49 PolarHBondContact O-N 3.13Å; T47-G49 VanDerWaalsContact C-N 3.31Å; G49-E51 PolarHBondContact O-N 2.79Å
50F98.5Very high97.9Very high57 Ų5782.5 Ų82.525%0.2540%0.403CS..  trans-60.4122.8179179.7-92.8000110.9G19 F39 L41 C45 Y52 H55G19-F50 VanDerWaalsContact CA-CZ 3.48Å; F39-F50 HydrophobicContact CZ-CD1 4.31Å; F39-F50 HydrophobicContact CZ-CE1 4.02Å; L41-F50 HydrophobicContact CD1-CB 4.36Å; L41-F50 HydrophobicContact CD1-CD1 4.43Å; L41-F50 HydrophobicContact CD2-CD1 3.76Å; L41-F50 HydrophobicContact CD2-CE1 4.37Å; L41-F50 HydrophobicContact CD2-CG 4.39Å; C45-F50 HydrophobicContact CB-CB 4.09Å; C45-F50 WeakPolarHBondContact O-CB 3.48Å; C45-F50 PolarHBondContact O-N 3.28Å; C45-F50 VanDerWaalsContact O-N 3.1Å; F50-Y52 HydrophobicContact CE1-CG 4.49Å; F50-Y52 HydrophobicContact CZ-CG 4.43Å; F50-H55 PolarHBondContact O-CD2 3.4Å; F50-H55 PolarHBondContact O-NE2 2.89Å
51E98.1Very high97.9Very high91 Ų9186.4 Ų86.443%0.42542%0.417SS..  trans-121140.7177.3-67.4-177.416900110.2G49 S57G49-E51 PolarHBondContact O-N 2.79Å; E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.72Å; E51-S57 PolarHBondContact OE1-OG 3.2Å
52Y94.8Very high97.9Very high116 Ų11690.5 Ų90.546%0.45544%0.436SS..BIsolated β-bridgetrans-157.3127178.6-177.7-108.6000111.8F50 K54 H55F50-Y52 HydrophobicContact CE1-CG 4.49Å; F50-Y52 HydrophobicContact CZ-CG 4.43Å; Y52-K54 PolarHBondContact O-N 2.86Å; Y52-H55 PolarHBondContact N-O 3.29Å; Y52-H55 WeakPolarHBondContact O-CB 3.39Å; Y52-H55 PolarHBondContact O-N 3.35Å
53K94.4Very high97.8Very high164 Ų16494.4 Ų94.471%0.71346%0.455SS*.THydrogen-bonded Turntrans53.7-111.1-177.5-66176.1172.11620110.7
54K96.1Very high97.8Very high182 Ų18293.2 Ų93.279%0.79145%0.448SS*.THydrogen-bonded Turntrans-89.4-9.8-178.1-63.5-173.9177.7-176.10113.1Y52 H59Y52-K54 PolarHBondContact O-N 2.86Å; K54-H59 PolarHBondContact O-CE1 3.1Å
55H98.1Very high97.7Very high12 Ų1288.6 Ų88.66%0.05643%0.43CS..BIsolated β-bridgetrans-79.1126.4176.2178.251000109.7F39 L41 F50 Y52 H59F39-H55 HydrophobicContact CD1-CB 4.44Å; F39-H55 AromaticContact CD1-CD2 3.95Å; F39-H55 AromaticContact CD1-CG 3.96Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 4.04Å; F39-H55 AromaticContact CE1-CD2 3.17Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.4Å; F39-H55 AromaticContact CE1-CG 3.54Å; F39-H55 AromaticContact CE1-NE2 3.62Å; F39-H55 HydrophobicContact CE2-CB 3.86Å; F39-H55 HydrophobicContact CZ-CB 3.73Å; F39-H55 AromaticContact CZ-CD2 3.47Å; F39-H55 VanDerWaalsContact CZ-CD2 3.47Å; F39-H55 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H55 AromaticContact CZ-CG 3.72Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.17Å; F50-H55 PolarHBondContact O-CD2 3.4Å; F50-H55 PolarHBondContact O-NE2 2.89Å; Y52-H55 PolarHBondContact N-O 3.29Å; Y52-H55 WeakPolarHBondContact O-CB 3.39Å; Y52-H55 PolarHBondContact O-N 3.35Å; H55-H59 AromaticContact ND1-ND1 3.8Å
56Q98.5Very high97.5Very high76 Ų7689.4 Ų89.436%0.35544%0.436SS..  trans-111.3153.8168.6-56.9-62.6-72.500109.8D58 H59Q56-D58 WeakPolarHBondContact CB-OD1 3.35Å; Q56-D58 PolarHBondContact O-N 3.49Å; Q56-H59 PolarHBondContact O-N 2.93Å
57S98.2Very high97.4Very high56 Ų5692.7 Ų92.739%0.39246%0.456SS..THydrogen-bonded Turntrans-71.4-13.8-175.756.70000113.8E51E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.72Å; E51-S57 PolarHBondContact OE1-OG 3.2Å
58D98.1Very high97.4Very high132 Ų13292.2 Ų92.271%0.70644%0.444SS*.THydrogen-bonded Turntrans-98.41179.366.1-14.9000114Q56Q56-D58 WeakPolarHBondContact CB-OD1 3.35Å; Q56-D58 PolarHBondContact O-N 3.49Å
59H98.6Very high97.3Very high33 Ų3385.3 Ų85.315%0.15343%0.429CS..SBendtrans-58.9142.9173.3-74.4-169.9000111.2C31 E33 C34 K54 H55 Q56C31-H59 PolarHBondContact SG-ND1 2.54Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.38Å; E33-H59 WeakPolarHBondContact OE1-CA 3.46Å; E33-H59 IonicContact OE2-CD2 3.62Å; E33-H59 IonicContact OE2-CG 3.82Å; E33-H59 IonicContact OE2-NE2 3.92Å; C34-H59 PolarHBondContact SG-ND1 2.79Å; C34-H59 VanDerWaalsContact SG-ND1 3.43Å; K54-H59 PolarHBondContact O-CE1 3.1Å; H55-H59 AromaticContact ND1-ND1 3.8Å; Q56-H59 PolarHBondContact O-N 2.93Å
60T98.6Very high97.2Very high85 Ų8587.6 Ų87.652%0.52144%0.436SS..  trans-58.4147.316955.60000111A32 E33A32-T60 WeakPolarHBondContact CB-O 3.22Å; A32-T60 PolarHBondContact N-O 2.83Å; E33-T60 WeakPolarHBondContact CG-OG1 3.44Å; E33-T60 PolarHBondContact OE1-N 2.76Å; E33-T60 PolarHBondContact OE1-OG1 3.15Å
61Y98.5Very high97.1Very high119 Ų11992 Ų9247%0.46746%0.462SS..EExtended strand (participates in β ladder)trans-146.6158.6-170.167.6-91.4000112.8I29 K30 F46 I63I29-Y61 HydrophobicContact CD1-CD2 4.08Å; I29-Y61 HydrophobicContact CD1-CE2 4.26Å; I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.01Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.37Å; F46-Y61 HydrophobicContact CE2-CD1 4.02Å; F46-Y61 HydrophobicContact CE2-CE1 4.27Å; F46-Y61 HydrophobicContact CE2-CG 4.24Å; F46-Y61 AromaticContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD2 4.41Å; F46-Y61 AromaticContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE2 4.21Å; F46-Y61 HydrophobicContact CZ-CG 4.25Å; F46-Y61 AromaticContact CZ-CZ 3.82Å; Y61-I63 HydrophobicContact CD2-CG1 4.29Å; Y61-I63 HydrophobicContact CE2-CD1 4.39Å; Y61-I63 HydrophobicContact CE2-CG1 3.95Å
62E98.1Very high97Very high89 Ų8991.4 Ų91.442%0.41646%0.461SS..EExtended strand (participates in β ladder)trans-113.1139.2172.4-66.5168.6-176.500109K30 M64K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 WeakPolarHBondContact CD-OE2 3.31Å; K30-E62 WeakPolarHBondContact CE-OE2 3.49Å; K30-E62 PolarHBondContact N-O 3.12Å; K30-E62 IonicContact NZ-OE1 3.97Å; K30-E62 IonicContact NZ-OE2 2.75Å; K30-E62 PolarHBondContact NZ-OE2 3.49Å; K30-E62 PolarHBondContact O-N 3.16Å; E62-M64 HydrophobicContact CB-SD 4.42Å
63I97.6Very high97.1Very high102 Ų10291.5 Ų91.552%0.52348%0.476SS..EExtended strand (participates in β ladder)trans-89.8117.6170.4-57.3175.7000107.1P27 I29 Y61 T65P27-I63 HydrophobicContact CB-CG2 3.96Å; I29-I63 HydrophobicContact CD1-CG1 4.04Å; Y61-I63 HydrophobicContact CD2-CG1 4.29Å; Y61-I63 HydrophobicContact CE2-CD1 4.39Å; Y61-I63 HydrophobicContact CE2-CG1 3.95Å; I63-T65 HydrophobicContact CG2-CG2 4.31Å
64M96.9Very high97.3Very high55 Ų5587.8 Ų87.827%0.27147%0.47SS..EExtended strand (participates in β ladder)trans-88.1112.4176.4-55.7-56.9-58.300108.4P27 Y28 K30 E62P27-M64 VanDerWaalsContact CA-O 3.26Å; P27-M64 WeakPolarHBondContact CA-O 3.39Å; Y28-M64 HydrophobicContact CD1-CB 4.04Å; Y28-M64 HydrophobicContact CD2-CB 3.82Å; Y28-M64 HydrophobicContact CD2-CG 3.86Å; Y28-M64 HydrophobicContact CE1-CB 3.7Å; Y28-M64 HydrophobicContact CE2-CB 3.5Å; Y28-M64 VanDerWaalsContact CE2-CB 3.5Å; Y28-M64 HydrophobicContact CE2-CG 3.41Å; Y28-M64 VanDerWaalsContact CE2-CG 3.41Å; Y28-M64 HydrophobicContact CG-CB 4.08Å; Y28-M64 VanDerWaalsContact CZ-CB 3.41Å; Y28-M64 PolarHBondContact N-O 2.92Å; Y28-M64 VanDerWaalsContact N-O 3.15Å; Y28-M64 PolarHBondContact O-N 2.97Å; K30-M64 HydrophobicContact CB-CG 3.8Å; K30-M64 HydrophobicContact CB-SD 3.9Å; K30-M64 HydrophobicContact CD-SD 3.9Å; E62-M64 HydrophobicContact CB-SD 4.42Å
65T95.8Very high97.3Very high52 Ų5284.3 Ų84.332%0.31945%0.452SS..  trans-156.7149-179.6-1750000110.8E26 I63 D67 F68E26-T65 WeakPolarHBondContact OE2-CA 3.5Å; I63-T65 HydrophobicContact CG2-CG2 4.31Å; T65-D67 PolarHBondContact OG1-N 3.31Å; T65-F68 VanDerWaalsContact O-CE1 3.23Å; T65-F68 WeakPolarHBondContact O-CE1 3.25Å
66S95.7Very high97.3Very high33 Ų3385 Ų8523%0.23146%0.458CS..  trans-108.910.7175.5-54.30000112.7E26 F68 A77 Q78E26-S66 PolarHBondContact OE1-OG 3.05Å; E26-S66 VanDerWaalsContact OE2-CB 3.25Å; E26-S66 WeakPolarHBondContact OE2-CB 3.27Å; E26-S66 PolarHBondContact OE2-N 3.02Å; E26-S66 PolarHBondContact OE2-OG 3.17Å; S66-F68 PolarHBondContact O-N 3.02Å; S66-A77 WeakPolarHBondContact O-CB 3.44Å; S66-A77 PolarHBondContact O-N 2.86Å; S66-Q78 PolarHBondContact O-N 3.38Å
67D96.7Very high97.2Very high125 Ų12582.3 Ų82.367%0.66845%0.448SS*.  trans-84.160.3178.6-171.822.2000111.3T65 T76T65-D67 PolarHBondContact OG1-N 3.31Å; D67-T76 WeakPolarHBondContact OD1-CG2 3.47Å
68F96.3Very high97.1Very high102 Ų10285.6 Ų85.645%0.44746%0.457SS..SBendtrans-151.1150.2177.465.7-87.9000111T65 S66 V70 T76 A77T65-F68 VanDerWaalsContact O-CE1 3.23Å; T65-F68 WeakPolarHBondContact O-CE1 3.25Å; S66-F68 PolarHBondContact O-N 3.02Å; F68-V70 HydrophobicContact CD2-CG2 4.14Å; F68-V70 HydrophobicContact CE2-CG2 3.66Å; F68-V70 HydrophobicContact CZ-CG2 4.39Å; F68-T76 CarbonylContact O-C 3.53Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.07Å; F68-A77 HydrophobicContact CE2-CB 4.19Å; F68-A77 HydrophobicContact CZ-CB 3.91Å; F68-A77 PolarHBondContact O-N 3.33Å
69P97.6Very high97Very high79 Ų7983.6 Ų83.651%0.51344%0.444SS..BIsolated β-bridgetrans-76.5141.6178.330.8-34.5000112.3D72 W75P69-D72 WeakPolarHBondContact CB-O 3.36Å; P69-W75 VanDerWaalsContact CA-O 3.25Å; P69-W75 WeakPolarHBondContact CA-O 3.36Å
70V95.9Very high96.9Very high80 Ų8083.6 Ų83.649%0.48544%0.444SS..SBendtrans-112.6-58177.3-178.80000110.8F68 A77 E80F68-V70 HydrophobicContact CD2-CG2 4.14Å; F68-V70 HydrophobicContact CE2-CG2 3.66Å; F68-V70 HydrophobicContact CZ-CG2 4.39Å; V70-A77 HydrophobicContact CG2-CB 3.56Å; V70-E80 WeakPolarHBondContact CB-OE2 3.34Å
71L96.1Very high96.7Very high150 Ų15084.2 Ų84.279%0.78544%0.442SS*.SBendtrans-104.4-43.4-177-57176000112.5E80L71-E80 VanDerWaalsContact CB-OE1 3.29Å; L71-E80 WeakPolarHBondContact CB-OE1 3.45Å; L71-E80 WeakPolarHBondContact CG-OE1 3.42Å; L71-E80 PolarHBondContact N-OE1 2.98Å
72D97Very high96.5Very high77 Ų7781 Ų8141%0.41244%0.44SS..  trans-124.3137.1-179.9-171.2-81000110.9P69 S74 W75P69-D72 WeakPolarHBondContact CB-O 3.36Å; D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 VanDerWaalsContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.25Å; D72-S74 VanDerWaalsContact OD1-CB 3.31Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.99Å; D72-W75 PolarHBondContact O-N 2.9Å; D72-W75 VanDerWaalsContact O-N 3.15Å; D72-W75 VanDerWaalsContact O-O 3.09Å
73P96.7Very high96.3Very high118 Ų11879.8 Ų79.877%0.76644%0.436SS*.THydrogen-bonded Turntrans-61.4-18.7-179.8-23.734.1000115.4
74S97.3Very high96.2Very high86 Ų8680 Ų8060%0.60144%0.437SS*.THydrogen-bonded Turntrans-91.2-5.1-179.865.80000114.1D72D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 VanDerWaalsContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.25Å; D72-S74 VanDerWaalsContact OD1-CB 3.31Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.99Å
75W97.6Very high96Very high109 Ų10981.9 Ų81.941%0.41345%0.446SS..SBendtrans-121.5136.1-179.8-75.663.1000110.8P69 D72 E79 E80 L83P69-W75 VanDerWaalsContact CA-O 3.25Å; P69-W75 WeakPolarHBondContact CA-O 3.36Å; D72-W75 PolarHBondContact O-N 2.9Å; D72-W75 VanDerWaalsContact O-N 3.15Å; D72-W75 VanDerWaalsContact O-O 3.09Å; W75-E79 HydrophobicContact CD2-CB 4.38Å; W75-E79 HydrophobicContact CE3-CB 3.57Å; W75-E79 HydrophobicContact CZ3-CB 4.05Å; W75-E80 HydrophobicContact CB-CG 4.33Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 4.22Å
76T97.9Very high96Very high28 Ų2881.6 Ų81.617%0.17245%0.448CS..BIsolated β-bridgetrans-82.8157.4171.459.80000111.3D67 F68 Q78 E79 E80D67-T76 WeakPolarHBondContact OD1-CG2 3.47Å; F68-T76 CarbonylContact O-C 3.53Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; T76-Q78 PolarHBondContact O-N 2.91Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 PolarHBondContact N-OE2 3.04Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.27Å; T76-E79 PolarHBondContact OG1-N 2.92Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; T76-E79 PolarHBondContact OG1-OE2 3.38Å; T76-E80 PolarHBondContact O-N 2.91Å
77A96.4Very high96Very high18 Ų1882 Ų8215%0.14945%0.449CS..Hα-helixtrans-54.4-34171.300000111.7S66 F68 V70 M81S66-A77 WeakPolarHBondContact O-CB 3.44Å; S66-A77 PolarHBondContact O-N 2.86Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.07Å; F68-A77 HydrophobicContact CE2-CB 4.19Å; F68-A77 HydrophobicContact CZ-CB 3.91Å; F68-A77 PolarHBondContact O-N 3.33Å; V70-A77 HydrophobicContact CG2-CB 3.56Å; A77-M81 PolarHBondContact O-N 2.95Å
78Q95.4Very high95.8Very high125 Ų12583.4 Ų83.458%0.58445%0.454SS*.Hα-helixtrans-64.9-44.8174.7-171.7-178.4-43.600112.4S66 T76 M81 A82S66-Q78 PolarHBondContact O-N 3.38Å; T76-Q78 PolarHBondContact O-N 2.91Å; Q78-M81 PolarHBondContact O-N 2.94Å; Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.36Å
79E96.4Very high95.7Very high90 Ų9085.2 Ų85.242%0.42147%0.468SS..Hα-helixtrans-67.9-38.3178.3-72.1163.4134.400111.8W75 T76 M81 A82 L83W75-E79 HydrophobicContact CD2-CB 4.38Å; W75-E79 HydrophobicContact CE3-CB 3.57Å; W75-E79 HydrophobicContact CZ3-CB 4.05Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 PolarHBondContact N-OE2 3.04Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.27Å; T76-E79 PolarHBondContact OG1-N 2.92Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; T76-E79 PolarHBondContact OG1-OE2 3.38Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-A82 PolarHBondContact O-N 3.14Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.13Å
80E96.6Very high95.6Very high33 Ų3385 Ų8515%0.15447%0.468CS..Hα-helixtrans-61.1-43.4172.9-69.1-176.1-173.400111.6V70 L71 W75 T76 L83 L84V70-E80 WeakPolarHBondContact CB-OE2 3.34Å; L71-E80 VanDerWaalsContact CB-OE1 3.29Å; L71-E80 WeakPolarHBondContact CB-OE1 3.45Å; L71-E80 WeakPolarHBondContact CG-OE1 3.42Å; L71-E80 PolarHBondContact N-OE1 2.98Å; W75-E80 HydrophobicContact CB-CG 4.33Å; T76-E80 PolarHBondContact O-N 2.91Å; E80-L83 WeakPolarHBondContact O-CB 3.15Å; E80-L83 PolarHBondContact O-N 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.22Å; E80-L84 VanDerWaalsContact O-N 3.13Å
81M94.2Very high95.5Very high99 Ų9983 Ų8349%0.48846%0.463SS..Hα-helixtrans-64.4-45.6176.3-169.759.963.100111.6A77 Q78 E79 L83 L84 E85A77-M81 PolarHBondContact O-N 2.95Å; Q78-M81 PolarHBondContact O-N 2.94Å; E79-M81 VanDerWaalsContact C-N 3.35Å; M81-L83 PolarHBondContact O-N 2.83Å; M81-L84 PolarHBondContact O-N 2.85Å; M81-E85 HydrophobicContact CG-CG 4.49Å; M81-E85 WeakPolarHBondContact O-CG 3.28Å; M81-E85 PolarHBondContact O-N 3.38Å
82A93.6Very high95.4Very high51 Ų5184.1 Ų84.142%0.42146%0.462SS..Hα-helixtrans-59.2-36.717800000112.1Q78 E79 A86Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.36Å; E79-A82 PolarHBondContact O-N 3.14Å; A82-A86 VanDerWaalsContact O-CB 3.29Å; A82-A86 WeakPolarHBondContact O-CB 3.46Å; A82-A86 PolarHBondContact O-N 3.31Å
83L94.9Very high95.2Very high63 Ų6382.7 Ų82.733%0.3347%0.465SS..Hα-helixtrans-63-46.7172.817666.6000111.7W75 E79 E80 M81 A86 V87 W95W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 4.22Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.13Å; E80-L83 WeakPolarHBondContact O-CB 3.15Å; E80-L83 PolarHBondContact O-N 3.29Å; M81-L83 PolarHBondContact O-N 2.83Å; L83-A86 PolarHBondContact O-N 2.78Å; L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 2.95Å; L83-W95 HydrophobicContact CD1-CH2 4.46Å; L83-W95 HydrophobicContact CD1-CZ3 3.77Å
84L94.4Very high94.9Very high106 Ų10682.4 Ų82.456%0.55546%0.457SS*.Hα-helixtrans-65.1-40.1-179.8-67.3177.4000112E80 M81 V87 M88E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.22Å; E80-L84 VanDerWaalsContact O-N 3.13Å; M81-L84 PolarHBondContact O-N 2.85Å; L84-V87 PolarHBondContact O-N 2.93Å; L84-M88 WeakPolarHBondContact O-CB 3.38Å; L84-M88 PolarHBondContact O-N 3.45Å
85E93.9Very high94.3Very high96 Ų9689.4 Ų89.445%0.44947%0.47SS..Hα-helixtrans-60.1-49.7172-70.3174.7178.300110.7M81 V87 M88 D89M81-E85 HydrophobicContact CG-CG 4.49Å; M81-E85 WeakPolarHBondContact O-CG 3.28Å; M81-E85 PolarHBondContact O-N 3.38Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.84Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 2.8Å; E85-M88 VanDerWaalsContact O-N 3.11Å; E85-D89 PolarHBondContact O-N 3.45Å
86A94.4Very high94.1Very high45 Ų4588.4 Ų88.437%0.37247%0.473SS..Hα-helixtrans-61.5-40.1178.200000112.7A82 L83 M88 D89 C90A82-A86 VanDerWaalsContact O-CB 3.29Å; A82-A86 WeakPolarHBondContact O-CB 3.46Å; A82-A86 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 2.78Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-D89 PolarHBondContact O-N 2.94Å; A86-C90 WeakPolarHBondContact O-CA 3.29Å; A86-C90 WeakPolarHBondContact O-CB 3.45Å; A86-C90 PolarHBondContact O-N 3.11Å; A86-C90 PolarHBondContact O-SG 2.97Å
87V96.1Very high93.9Very high41 Ų4191.6 Ų91.625%0.24849%0.489CS..Hα-helixtrans-65.9-36.7175.7168.70000111.3L83 L84 E85 G91 F92 W95L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 2.95Å; L84-V87 PolarHBondContact O-N 2.93Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.84Å; V87-G91 CarbonylContact O-C 3.44Å; V87-G91 WeakPolarHBondContact O-CA 3.21Å; V87-G91 PolarHBondContact O-N 3.35Å; V87-F92 HydrophobicContact CG1-CB 4.24Å; V87-F92 HydrophobicContact CG1-CD2 4.45Å; V87-W95 HydrophobicContact CG2-CH2 4.39Å; V87-W95 HydrophobicContact CG2-CZ3 4.34Å
88M93.4Very high93.8Very high156 Ų15695.7 Ų95.777%0.76851%0.508SS*.Hα-helixtrans-66.7-43176.8-166.8-179.2-45.800111.6L84 E85 A86L84-M88 WeakPolarHBondContact O-CB 3.38Å; L84-M88 PolarHBondContact O-N 3.45Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 2.8Å; E85-M88 VanDerWaalsContact O-N 3.11Å; A86-M88 VanDerWaalsContact C-N 3.32Å
89D93.8Very high93.7Very high139 Ų13993.9 Ų93.974%0.74350%0.503SS*.Hα-helixtrans-78.8-40.4-177.6-72.2-15.8000113E85 A86E85-D89 PolarHBondContact O-N 3.45Å; A86-D89 PolarHBondContact O-N 2.94Å
90C94.9Very high93.5Very high76 Ų7694.2 Ų94.251%0.51451%0.509SS..Hα-helixtrans-105.1-12.7-169.1-55.50000113.9A86 N94A86-C90 WeakPolarHBondContact O-CA 3.29Å; A86-C90 WeakPolarHBondContact O-CB 3.45Å; A86-C90 PolarHBondContact O-N 3.11Å; A86-C90 PolarHBondContact O-SG 2.97Å; C90-N94 PolarHBondContact O-ND2 3.48Å
91G94.3Very high93.3Very high36 Ų3698.3 Ų98.337%0.37153%0.532SS..  trans85.2147.9-177.200000113.9V87 G93 N94V87-G91 CarbonylContact O-C 3.44Å; V87-G91 WeakPolarHBondContact O-CA 3.21Å; V87-G91 PolarHBondContact O-N 3.35Å; G91-G93 PolarHBondContact O-N 3.43Å; G91-N94 PolarHBondContact O-N 3.47Å
92F93.8Very high93.2Very high175 Ų17598.2 Ų98.277%0.76854%0.535SS*.THydrogen-bonded Turntrans-64.6132.6178.1-176.9-96.1000111.9V87 W95V87-F92 HydrophobicContact CG1-CB 4.24Å; V87-F92 HydrophobicContact CG1-CD2 4.45Å; F92-W95 HydrophobicContact CD2-CZ2 4.41Å; F92-W95 HydrophobicContact CE2-CH2 4.33Å; F92-W95 HydrophobicContact CE2-CZ2 4.01Å; F92-W95 HydrophobicContact CZ-CZ2 4.4Å
93G92.4Very high93.2Very high46 Ų46101.8 Ų101.847%0.47454%0.544SS..THydrogen-bonded Turntrans94.2-0.1179.800000115.1G91 W95G91-G93 PolarHBondContact O-N 3.43Å; G93-W95 PolarHBondContact O-N 3.24Å
94N90.4Very high93.1Very high113 Ų113105.1 Ų105.160%0.60456%0.562SS**  trans-92.471.8173.7-169.413.9000110.4C90 G91C90-N94 PolarHBondContact O-ND2 3.48Å; G91-N94 PolarHBondContact O-N 3.47Å
95W85Confident92.9Very high232 Ų232105 Ų10588%0.87956%0.563SS**  trans-85.90-176.1-54.9122.7000113.6L83 V87 F92 G93L83-W95 HydrophobicContact CD1-CH2 4.46Å; L83-W95 HydrophobicContact CD1-CZ3 3.77Å; V87-W95 HydrophobicContact CG2-CH2 4.39Å; V87-W95 HydrophobicContact CG2-CZ3 4.34Å; F92-W95 HydrophobicContact CD2-CZ2 4.41Å; F92-W95 HydrophobicContact CE2-CH2 4.33Å; F92-W95 HydrophobicContact CE2-CZ2 4.01Å; F92-W95 HydrophobicContact CZ-CZ2 4.4Å; G93-W95 PolarHBondContact O-N 3.24Å

Retrieved 95 of 95 residues in 92.7 ms (Link to these results)