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Dynein light chain roadblock

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules.

AlphaFold DB (A0A2K6AGH1), UniProt , Accession A0A096NUS8, Species PAPAN (Papio anubis, Olive baboon), Gene DYNLRB1, Length 96 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
1M54.1Low76.9Confident208 Ų208108.9 Ų108.9100%1.02554%0.543SS*.  0-60.20-69-79.6-113.600111.1E3 V4 E5M1-E3 PolarHBondContact O-N 2.85Å; M1-V4 PolarHBondContact O-N 3.08Å; M1-E5 PolarHBondContact O-N 3.31Å
2A67.3Low77.5Confident78 Ų78108.8 Ų108.865%0.64554%0.54SS*.Hα-helixtrans-60.3-41.8-17800000114.7V4 E5 E6A2-V4 PolarHBondContact O-N 3.14Å; A2-E5 PolarHBondContact O-N 3.42Å; A2-E6 PolarHBondContact O-N 3.42Å
3E71.8Confident78.2Confident157 Ų157108.2 Ų108.273%0.73455%0.553SS**Hα-helixtrans-64.6-37.3-177.8-172.3177.3-171.900113.7M1 E6 T7M1-E3 PolarHBondContact O-N 2.85Å; E3-E6 PolarHBondContact O-N 3.46Å; E3-T7 WeakPolarHBondContact O-CB 3.48Å; E3-T7 PolarHBondContact O-N 2.88Å; E3-T7 PolarHBondContact O-OG1 2.91Å
4V72.5Confident78.8Confident89 Ų89108.6 Ų108.654%0.53955%0.551SS.*Hα-helixtrans-68.1-43177.3177.30000110.2M1 A2 T7 L8M1-V4 PolarHBondContact O-N 3.08Å; A2-V4 PolarHBondContact O-N 3.14Å; V4-T7 PolarHBondContact O-N 3.29Å; V4-L8 HydrophobicContact CG1-CD1 4.11Å; V4-L8 HydrophobicContact CG1-CG 4.43Å; V4-L8 WeakPolarHBondContact O-CB 3.35Å; V4-L8 VanDerWaalsContact O-CG 3.22Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.8Å
5E75.5Confident79.1Confident100 Ų100112.8 Ų112.847%0.46756%0.564SS.*Hα-helixtrans-66.1-38.6177.2-68.3-159.5128.500112.8M1 A2 L8 K9 K31M1-E5 PolarHBondContact O-N 3.31Å; A2-E5 PolarHBondContact O-N 3.42Å; E5-L8 PolarHBondContact O-N 3.36Å; E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CG 3.49Å; E5-K9 PolarHBondContact O-N 3.43Å; E5-K31 IonicContact OE1-NZ 3.44Å; E5-K31 PolarHBondContact OE1-NZ 2.87Å
6E83Confident79.5Confident123 Ų123106.4 Ų106.458%0.57554%0.536SS*.Hα-helixtrans-64.9-42.2175.6-167.5176.9172.300111.3A2 E3 K9 R10A2-E6 PolarHBondContact O-N 3.42Å; E3-E6 PolarHBondContact O-N 3.46Å; E6-K9 PolarHBondContact O-N 2.99Å; E6-R10 WeakPolarHBondContact O-CB 3.42Å; E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.42Å; E6-R10 PolarHBondContact O-N 3.3Å
7T82.1Confident80.2Confident67 Ų67101.6 Ų101.641%0.41151%0.513SS..Hα-helixtrans-63.4-43.9175.7-56.40000111.5E3 V4 K9 R10 L11E3-T7 WeakPolarHBondContact O-CB 3.48Å; E3-T7 PolarHBondContact O-N 2.88Å; E3-T7 PolarHBondContact O-OG1 2.91Å; V4-T7 PolarHBondContact O-N 3.29Å; T7-K9 PolarHBondContact O-N 2.91Å; T7-R10 PolarHBondContact O-N 2.86Å; T7-L11 HydrophobicContact CG2-CD1 4.27Å; T7-L11 WeakPolarHBondContact O-CG 3.22Å; T7-L11 PolarHBondContact O-N 3.43Å
8L82.6Confident80.8Confident19 Ų19101.6 Ų101.610%0.09951%0.511CS..Hα-helixtrans-61.2-42.7175-71173.3000111.8V4 E5 L11 Q12 I20 V22 K31 L88V4-L8 HydrophobicContact CG1-CD1 4.11Å; V4-L8 HydrophobicContact CG1-CG 4.43Å; V4-L8 WeakPolarHBondContact O-CB 3.35Å; V4-L8 VanDerWaalsContact O-CG 3.22Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.8Å; E5-L8 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 2.96Å; L8-Q12 WeakPolarHBondContact O-CB 3.46Å; L8-Q12 PolarHBondContact O-N 3.48Å; L8-I20 HydrophobicContact CD2-CG2 3.56Å; L8-I20 WeakPolarHBondContact O-CD1 3.47Å; L8-V22 HydrophobicContact CD1-CG2 4.43Å; L8-V22 HydrophobicContact CD2-CG2 3.98Å; L8-K31 HydrophobicContact CD1-CD 3.77Å; L8-K31 HydrophobicContact CD1-CG 4.43Å; L8-L88 HydrophobicContact CD2-CD1 4.15Å
9K84.6Confident81.4Confident144 Ų14496.3 Ų96.363%0.62648%0.484SS*.Hα-helixtrans-62.9-41174.8-80-178.3177.81790112.2E5 E6 T7 Q12 S13E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CG 3.49Å; E5-K9 PolarHBondContact O-N 3.43Å; E6-K9 PolarHBondContact O-N 2.99Å; T7-K9 PolarHBondContact O-N 2.91Å; K9-Q12 PolarHBondContact O-N 2.61Å; K9-S13 WeakPolarHBondContact O-CB 3.3Å; K9-S13 PolarHBondContact O-N 3.44Å; K9-S13 PolarHBondContact O-OG 2.79Å
10R86.1Confident82Confident177 Ų17791.6 Ų91.667%0.66846%0.461SS*.Hα-helixtrans-63.2-43.1176.7-75.6174.366.8177.90.3111.5E6 T7 S13 Q14E6-R10 WeakPolarHBondContact O-CB 3.42Å; E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.42Å; E6-R10 PolarHBondContact O-N 3.3Å; T7-R10 PolarHBondContact O-N 2.86Å; R10-S13 PolarHBondContact O-N 2.96Å; R10-Q14 PolarHBondContact O-N 2.8Å
11L85.9Confident82.5Confident36 Ų3687.2 Ų87.219%0.18844%0.439CS..Hα-helixtrans-64.7-44.3175.5-72.1170.1000111.4T7 L8 S13 Q14 V17 I20 L88T7-L11 HydrophobicContact CG2-CD1 4.27Å; T7-L11 WeakPolarHBondContact O-CG 3.22Å; T7-L11 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 2.96Å; L11-S13 PolarHBondContact O-N 3.49Å; L11-Q14 WeakPolarHBondContact O-CB 3.35Å; L11-Q14 PolarHBondContact O-N 3.24Å; L11-V17 WeakPolarHBondContact O-CG2 3.07Å; L11-I20 HydrophobicContact CB-CD1 3.5Å; L11-L88 HydrophobicContact CD1-CD2 3.94Å
12Q85Confident84.3Confident108 Ų10878.1 Ų78.151%0.50540%0.395SS..Hα-helixtrans-65-27.2178.4-170.1176.80.100112.4L8 K9 Q14 I20L8-Q12 WeakPolarHBondContact O-CB 3.46Å; L8-Q12 PolarHBondContact O-N 3.48Å; K9-Q12 PolarHBondContact O-N 2.61Å; Q12-Q14 VanDerWaalsContact C-N 3.26Å; Q12-Q14 PolarHBondContact O-N 2.92Å; Q12-I20 HydrophobicContact CB-CD1 3.96Å
13S85.9Confident85.5Confident101 Ų10174.5 Ų74.571%0.70637%0.365SS*.THydrogen-bonded Turntrans-78.1-9.4176.6-56.90000113.2K9 R10 L11K9-S13 WeakPolarHBondContact O-CB 3.3Å; K9-S13 PolarHBondContact O-N 3.44Å; K9-S13 PolarHBondContact O-OG 2.79Å; R10-S13 PolarHBondContact O-N 2.96Å; L11-S13 PolarHBondContact O-N 3.49Å
14Q86.9Confident86.4Confident113 Ų11368.3 Ų68.353%0.52834%0.337SS..SBendtrans-71.2134.1174.9-65.4-161.7-5.800110.5R10 L11 Q12 G16 V17R10-Q14 PolarHBondContact O-N 2.8Å; L11-Q14 WeakPolarHBondContact O-CB 3.35Å; L11-Q14 PolarHBondContact O-N 3.24Å; Q12-Q14 VanDerWaalsContact C-N 3.26Å; Q12-Q14 PolarHBondContact O-N 2.92Å; Q14-G16 PolarHBondContact O-N 3.15Å; Q14-V17 HydrophobicContact CB-CG2 3.84Å; Q14-V17 PolarHBondContact O-N 3.02Å
15K82.6Confident86.9Confident172 Ų17267.4 Ų67.475%0.74833%0.332SS*.THydrogen-bonded Turntrans-60.6130.7176.3-154.1-173.3-174.9-1240109E96K15-E96 WeakPolarHBondContact CE-OE1 3.43Å; K15-E96 IonicContact NZ-OE1 3.96Å; K15-E96 PolarHBondContact NZ-OE1 2.69Å
16G86.8Confident87.4Confident11 Ų1169.4 Ų69.411%0.11334%0.341CS..THydrogen-bonded Turntrans94.8-15.5-179.100000115.3Q14 Q18 Q92 N93 E96Q14-G16 PolarHBondContact O-N 3.15Å; G16-Q18 PolarHBondContact O-N 3.47Å; G16-Q92 CarbonylContact O-C 3.59Å; G16-Q92 WeakPolarHBondContact O-CA 3.37Å; G16-Q92 WeakPolarHBondContact O-CB 3.48Å; G16-N93 PolarHBondContact O-N 3.48Å; G16-E96 WeakPolarHBondContact CA-OE2 3.44Å; G16-E96 PolarHBondContact N-OE2 2.76Å
17V91.4Very high87.4Confident25 Ų2564.3 Ų64.315%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-72.2118.71771760000110.1L11 Q14 I20 V90L11-V17 WeakPolarHBondContact O-CG2 3.07Å; Q14-V17 HydrophobicContact CB-CG2 3.84Å; Q14-V17 PolarHBondContact O-N 3.02Å; V17-I20 HydrophobicContact CG1-CD1 4.26Å; V17-I20 HydrophobicContact CG1-CG1 3.9Å; V17-V90 HydrophobicContact CG1-CG1 4.05Å; V17-V90 HydrophobicContact CG2-CG1 4.13Å
18Q90.4Very high87.7Confident101 Ų10165.5 Ų65.547%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-94.7-32.8179.9-61.9-177.4-56.300111.9G16 I91G16-Q18 PolarHBondContact O-N 3.47Å; Q18-I91 HydrophobicContact CB-CG2 4.41Å; Q18-I91 PolarHBondContact N-O 2.89Å
19G91.5Very high88.2Confident0 Ų066.6 Ų66.60%033%0.332CS..EExtended strand (participates in β ladder)trans-165.5149.8-176.400000113.2T33 I91G19-T33 WeakPolarHBondContact CA-OG1 3.39Å; G19-I91 PolarHBondContact N-O 3.37Å; G19-I91 VanDerWaalsContact N-O 3.1Å; G19-I91 PolarHBondContact O-N 3.05Å
20I93.4Very high88.5Confident3 Ų365.2 Ų65.22%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-128.6134.5175.4-54.1164.9000107.9L8 L11 Q12 V17 S32 T33 L88 I89 V90L8-I20 HydrophobicContact CD2-CG2 3.56Å; L8-I20 WeakPolarHBondContact O-CD1 3.47Å; L11-I20 HydrophobicContact CB-CD1 3.5Å; Q12-I20 HydrophobicContact CB-CD1 3.96Å; V17-I20 HydrophobicContact CG1-CD1 4.26Å; V17-I20 HydrophobicContact CG1-CG1 3.9Å; I20-S32 CarbonylContact O-C 3.59Å; I20-S32 VanDerWaalsContact O-CA 3.3Å; I20-S32 WeakPolarHBondContact O-CA 3.35Å; I20-T33 HydrophobicContact CB-CG2 4.4Å; I20-T33 PolarHBondContact N-OG1 3.2Å; I20-T33 PolarHBondContact O-N 3.47Å; I20-L88 HydrophobicContact CG2-CD1 3.67Å; I20-I89 CarbonylContact C-O 3.56Å; I20-I89 WeakPolarHBondContact CA-O 3.21Å; I20-V90 HydrophobicContact CG1-CG1 4.48Å; I20-V90 HydrophobicContact CG2-CG2 4.42Å
21I92.7Very high88.7Confident0 Ų061 Ų610%032%0.317CS..EExtended strand (participates in β ladder)trans-131127.5178.5-51.6169.7000108.1V23 P29 K31 M34 T39 Y42 I89 I91I21-V23 HydrophobicContact CG2-CG2 3.67Å; I21-P29 HydrophobicContact CG2-CB 4.42Å; I21-K31 CarbonylContact C-O 3.47Å; I21-K31 WeakPolarHBondContact CA-O 3.49Å; I21-M34 HydrophobicContact CD1-SD 4.35Å; I21-T39 HydrophobicContact CD1-CG2 4.33Å; I21-T39 HydrophobicContact CG1-CG2 4.33Å; I21-T39 HydrophobicContact CG2-CG2 3.77Å; I21-Y42 HydrophobicContact CD1-CD2 4.47Å; I21-Y42 HydrophobicContact CD1-CG 4.34Å; I21-I89 HydrophobicContact CB-CB 4.24Å; I21-I89 PolarHBondContact N-O 2.97Å; I21-I89 PolarHBondContact O-N 2.72Å; I21-I91 HydrophobicContact CD1-CD1 4.07Å
22V91.9Very high88.9Confident16 Ų1661.1 Ų61.110%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-105.3123.7170.8-176.40000107.5L8 P29 I30 K31 Y86 L88L8-V22 HydrophobicContact CD1-CG2 4.43Å; L8-V22 HydrophobicContact CD2-CG2 3.98Å; V22-P29 CarbonylContact O-C 3.57Å; V22-P29 WeakPolarHBondContact O-CA 3.3Å; V22-I30 HydrophobicContact CG1-CB 4.44Å; V22-I30 HydrophobicContact CG1-CD1 4.38Å; V22-I30 PolarHBondContact O-N 3.4Å; V22-K31 HydrophobicContact CB-CB 4.32Å; V22-K31 HydrophobicContact CG2-CB 4.45Å; V22-K31 PolarHBondContact N-O 3.07Å; V22-K31 PolarHBondContact O-N 2.84Å; V22-Y86 HydrophobicContact CG1-CD2 4.44Å; V22-L88 HydrophobicContact CG2-CD1 3.91Å
23V92.3Very high89.1Confident2 Ų258.9 Ų58.91%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-122.2142.5-176.6-168.10000108.7I21 G27 I28 A43 Y86 F87 I89I21-V23 HydrophobicContact CG2-CG2 3.67Å; V23-G27 VanDerWaalsContact CG1-CA 3.43Å; V23-I28 WeakPolarHBondContact CA-O 3.29Å; V23-I28 WeakPolarHBondContact CG1-O 3.46Å; V23-A43 HydrophobicContact CG1-CB 4.02Å; V23-A43 HydrophobicContact CG2-CB 3.69Å; V23-Y86 CarbonylContact O-C 3.59Å; V23-Y86 WeakPolarHBondContact O-CA 3.47Å; V23-Y86 WeakPolarHBondContact O-CB 3.39Å; V23-F87 HydrophobicContact CB-CB 4.44Å; V23-F87 PolarHBondContact N-O 3.35Å; V23-F87 PolarHBondContact O-N 2.98Å; V23-I89 HydrophobicContact CG2-CD1 3.74Å
24N90.8Very high89.3Confident27 Ų2756.5 Ų56.514%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-77.3177.2171.774.5-3.4000111.9E26 G27 I28 I30N24-E26 PolarHBondContact ND2-OE2 3.39Å; N24-E26 PolarHBondContact O-N 3.27Å; N24-E26 WeakPolarHBondContact OD1-CA 3.35Å; N24-E26 WeakPolarHBondContact OD1-CB 3.38Å; N24-E26 PolarHBondContact OD1-N 3.46Å; N24-G27 PolarHBondContact O-N 3.05Å; N24-G27 VanDerWaalsContact O-N 3.13Å; N24-G27 PolarHBondContact OD1-N 2.89Å; N24-I28 PolarHBondContact N-O 3.12Å; N24-I28 WeakPolarHBondContact OD1-CA 3.4Å; N24-I28 WeakPolarHBondContact OD1-CB 3.36Å; N24-I28 PolarHBondContact OD1-N 3.21Å; N24-I28 PolarHBondContact OD1-O 3.1Å; N24-I30 HydrophobicContact CB-CD1 3.91Å; N24-I30 HydrophobicContact CB-CG1 4.24Å
25T83.9Confident89.5Confident71 Ų7155 Ų5544%0.43629%0.288SS..THydrogen-bonded Turntrans-63.2-16.8175.848.50000114.4H47 D85T25-H47 PolarHBondContact O-NE2 2.83Å; T25-D85 PolarHBondContact N-O 3.49Å
26E84.8Confident89.8Confident142 Ų14252.9 Ų52.966%0.66429%0.285SS*.THydrogen-bonded Turntrans-89.7-2.8177.9-55.8176.3109.800112.9N24 I28N24-E26 PolarHBondContact ND2-OE2 3.39Å; N24-E26 PolarHBondContact O-N 3.27Å; N24-E26 WeakPolarHBondContact OD1-CA 3.35Å; N24-E26 WeakPolarHBondContact OD1-CB 3.38Å; N24-E26 PolarHBondContact OD1-N 3.46Å; E26-I28 HydrophobicContact CB-CD1 4.31Å; E26-I28 HydrophobicContact CB-CG1 4.26Å
27G83.8Confident90.1Very high15 Ų1556.9 Ų56.916%0.15531%0.309CS..SBendtrans84.411.3-178.300000114.3V23 N24V23-G27 VanDerWaalsContact CG1-CA 3.43Å; N24-G27 PolarHBondContact O-N 3.05Å; N24-G27 VanDerWaalsContact O-N 3.13Å; N24-G27 PolarHBondContact OD1-N 2.89Å
28I89.4Confident90.1Very high93 Ų9357.5 Ų57.548%0.47731%0.313SS..  trans-89.6123.6178.9-54.6175.7000109.6V23 N24 E26 I30V23-I28 WeakPolarHBondContact CA-O 3.29Å; V23-I28 WeakPolarHBondContact CG1-O 3.46Å; N24-I28 PolarHBondContact N-O 3.12Å; N24-I28 WeakPolarHBondContact OD1-CA 3.4Å; N24-I28 WeakPolarHBondContact OD1-CB 3.36Å; N24-I28 PolarHBondContact OD1-N 3.21Å; N24-I28 PolarHBondContact OD1-O 3.1Å; E26-I28 HydrophobicContact CB-CD1 4.31Å; E26-I28 HydrophobicContact CB-CG1 4.26Å; I28-I30 PolarHBondContact O-N 3.39Å
29P91.4Very high90.2Very high42 Ų4252.9 Ų52.927%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-64.8122.3174.7-14.626.3000111.4I21 V22 T39 A43I21-P29 HydrophobicContact CG2-CB 4.42Å; V22-P29 CarbonylContact O-C 3.57Å; V22-P29 WeakPolarHBondContact O-CA 3.3Å; P29-T39 HydrophobicContact CB-CG2 3.58Å; P29-T39 HydrophobicContact CG-CG2 3.77Å; P29-A43 HydrophobicContact CG-CB 3.74Å
30I91.1Very high90.2Very high115 Ų11557 Ų5759%0.5932%0.317SS*.EExtended strand (participates in β ladder)trans-86-43.3173.7-61.2166.7000110.1V22 N24 I28V22-I30 HydrophobicContact CG1-CB 4.44Å; V22-I30 HydrophobicContact CG1-CD1 4.38Å; V22-I30 PolarHBondContact O-N 3.4Å; N24-I30 HydrophobicContact CB-CD1 3.91Å; N24-I30 HydrophobicContact CB-CG1 4.24Å; I28-I30 PolarHBondContact O-N 3.39Å
31K89.9Confident90.1Very high89 Ų8962.8 Ų62.839%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-148140-176.9-165.6159.4-176168.40110E5 L8 I21 V22E5-K31 IonicContact OE1-NZ 3.44Å; E5-K31 PolarHBondContact OE1-NZ 2.87Å; L8-K31 HydrophobicContact CD1-CD 3.77Å; L8-K31 HydrophobicContact CD1-CG 4.43Å; I21-K31 CarbonylContact C-O 3.47Å; I21-K31 WeakPolarHBondContact CA-O 3.49Å; V22-K31 HydrophobicContact CB-CB 4.32Å; V22-K31 HydrophobicContact CG2-CB 4.45Å; V22-K31 PolarHBondContact N-O 3.07Å; V22-K31 PolarHBondContact O-N 2.84Å
32S90.3Very high90.1Very high37 Ų3765.1 Ų65.126%0.25935%0.353SS..EExtended strand (participates in β ladder)trans-145.7147.1177.5-177.80000110.6I20 M34 T39I20-S32 CarbonylContact O-C 3.59Å; I20-S32 VanDerWaalsContact O-CA 3.3Å; I20-S32 WeakPolarHBondContact O-CA 3.35Å; S32-M34 PolarHBondContact OG-N 3.06Å; S32-T39 VanDerWaalsContact CB-CG2 3.42Å; S32-T39 WeakPolarHBondContact CB-OG1 3.38Å; S32-T39 WeakPolarHBondContact OG-CG2 3.49Å; S32-T39 PolarHBondContact OG-OG1 2.77Å
33T90.4Very high90.1Very high62 Ų6264.4 Ų64.438%0.3835%0.349SS..SBendtrans-97.94.4168670000112.3G19 I20G19-T33 WeakPolarHBondContact CA-OG1 3.39Å; I20-T33 HydrophobicContact CB-CG2 4.4Å; I20-T33 PolarHBondContact N-OG1 3.2Å; I20-T33 PolarHBondContact O-N 3.47Å
34M89.2Confident90Very high50 Ų5067.7 Ų67.725%0.24637%0.372CS..SBendtrans-107.2171.9179.6-59-167.77600111.5I21 S32 T38 I91I21-M34 HydrophobicContact CD1-SD 4.35Å; S32-M34 PolarHBondContact OG-N 3.06Å; M34-T38 HydrophobicContact CE-CG2 3.59Å; M34-T38 HydrophobicContact SD-CG2 4.21Å; M34-I91 HydrophobicContact CE-CD1 4.49Å; M34-I91 HydrophobicContact SD-CD1 3.45Å; M34-I91 WeakPolarHBondContact SD-CD1 3.18Å
35D91.6Very high90Very high82 Ų8271 Ų7144%0.43939%0.39SS..  trans-64.1148.1172.461.7-74.7000111.7P37 T38 T39D35-P37 VanDerWaalsContact OD2-CD 3.32Å; D35-P37 WeakPolarHBondContact OD2-CD 3.3Å; D35-P37 VanDerWaalsContact OD2-CG 3.27Å; D35-P37 WeakPolarHBondContact OD2-CG 3.41Å; D35-T38 PolarHBondContact O-N 3.21Å; D35-T38 VanDerWaalsContact OD1-CB 3.31Å; D35-T38 WeakPolarHBondContact OD1-CB 3.44Å; D35-T38 PolarHBondContact OD1-OG1 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.46Å; D35-T38 PolarHBondContact OD2-N 3.34Å; D35-T38 PolarHBondContact OD2-OG1 2.89Å; D35-T39 WeakPolarHBondContact O-CB 3.43Å; D35-T39 PolarHBondContact O-N 3.01Å; D35-T39 PolarHBondContact O-OG1 3.37Å
36N89.5Confident90.4Very high128 Ų12868.7 Ų68.768%0.68437%0.374SS*.Hα-helixtrans-54.5-46.5-177.2-72.5-10.9000114.7T39 T40N36-T39 WeakPolarHBondContact O-CB 3.47Å; N36-T39 PolarHBondContact O-N 2.96Å; N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 3.35Å; N36-T40 VanDerWaalsContact O-OG1 3.1Å
37P92.4Very high90.7Very high95 Ų9563.5 Ų63.562%0.61735%0.35SS*.Hα-helixtrans-65.8-43.2-17819.7-25000112D35 T39 T40 Q41D35-P37 VanDerWaalsContact OD2-CD 3.32Å; D35-P37 WeakPolarHBondContact OD2-CD 3.3Å; D35-P37 VanDerWaalsContact OD2-CG 3.27Å; D35-P37 WeakPolarHBondContact OD2-CG 3.41Å; P37-T39 VanDerWaalsContact C-N 3.33Å; P37-T39 PolarHBondContact O-N 2.79Å; P37-T40 PolarHBondContact O-N 2.96Å; P37-Q41 WeakPolarHBondContact O-CB 3.4Å; P37-Q41 PolarHBondContact O-N 3.13Å; P37-Q41 VanDerWaalsContact O-N 3.1Å
38T91.2Very high91Very high38 Ų3865.7 Ų65.723%0.23336%0.363CS..Hα-helixtrans-62.5-42.8175.1-59.40000111.3M34 D35 T40 Q41 Y42M34-T38 HydrophobicContact CE-CG2 3.59Å; M34-T38 HydrophobicContact SD-CG2 4.21Å; D35-T38 PolarHBondContact O-N 3.21Å; D35-T38 VanDerWaalsContact OD1-CB 3.31Å; D35-T38 WeakPolarHBondContact OD1-CB 3.44Å; D35-T38 PolarHBondContact OD1-OG1 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.46Å; D35-T38 PolarHBondContact OD2-N 3.34Å; D35-T38 PolarHBondContact OD2-OG1 2.89Å; T38-T40 PolarHBondContact O-N 2.91Å; T38-Q41 PolarHBondContact O-N 3.01Å; T38-Y42 HydrophobicContact CG2-CD2 3.53Å; T38-Y42 HydrophobicContact CG2-CE2 3.45Å; T38-Y42 VanDerWaalsContact CG2-CE2 3.45Å; T38-Y42 VanDerWaalsContact O-CD2 3.27Å; T38-Y42 WeakPolarHBondContact O-CD2 3.49Å; T38-Y42 PolarHBondContact O-N 3.17Å
39T92.9Very high91.2Very high4 Ų465.7 Ų65.73%0.02536%0.359CS..Hα-helixtrans-57.3-51.4178.2-60.30000112I21 P29 S32 D35 N36 P37 Q41 Y42 A43I21-T39 HydrophobicContact CD1-CG2 4.33Å; I21-T39 HydrophobicContact CG1-CG2 4.33Å; I21-T39 HydrophobicContact CG2-CG2 3.77Å; P29-T39 HydrophobicContact CB-CG2 3.58Å; P29-T39 HydrophobicContact CG-CG2 3.77Å; S32-T39 VanDerWaalsContact CB-CG2 3.42Å; S32-T39 WeakPolarHBondContact CB-OG1 3.38Å; S32-T39 WeakPolarHBondContact OG-CG2 3.49Å; S32-T39 PolarHBondContact OG-OG1 2.77Å; D35-T39 WeakPolarHBondContact O-CB 3.43Å; D35-T39 PolarHBondContact O-N 3.01Å; D35-T39 PolarHBondContact O-OG1 3.37Å; N36-T39 WeakPolarHBondContact O-CB 3.47Å; N36-T39 PolarHBondContact O-N 2.96Å; P37-T39 VanDerWaalsContact C-N 3.33Å; P37-T39 PolarHBondContact O-N 2.79Å; T39-Q41 VanDerWaalsContact C-N 3.32Å; T39-Q41 PolarHBondContact O-N 3.34Å; T39-Y42 PolarHBondContact O-N 3.31Å; T39-A43 WeakPolarHBondContact O-CB 3.21Å; T39-A43 PolarHBondContact O-N 2.97Å
40T92.1Very high91.1Very high86 Ų8663.9 Ų63.953%0.52835%0.347SS..Hα-helixtrans-62.8-40.4-179.6-59.80000111.5N36 P37 T38 A43 S44N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 3.35Å; N36-T40 VanDerWaalsContact O-OG1 3.1Å; P37-T40 PolarHBondContact O-N 2.96Å; T38-T40 PolarHBondContact O-N 2.91Å; T40-A43 PolarHBondContact O-N 2.8Å; T40-S44 WeakPolarHBondContact O-CB 3.39Å; T40-S44 PolarHBondContact O-N 3.05Å
41Q91.5Very high91.1Very high124 Ų12462.3 Ų62.358%0.57934%0.34SS*.Hα-helixtrans-62.5-48.7177.4-176.3178.9-4.800111.7P37 T38 T39 L45P37-Q41 WeakPolarHBondContact O-CB 3.4Å; P37-Q41 PolarHBondContact O-N 3.13Å; P37-Q41 VanDerWaalsContact O-N 3.1Å; T38-Q41 PolarHBondContact O-N 3.01Å; T39-Q41 VanDerWaalsContact C-N 3.32Å; T39-Q41 PolarHBondContact O-N 3.34Å; Q41-L45 HydrophobicContact CG-CD1 3.89Å; Q41-L45 WeakPolarHBondContact O-CB 3.41Å; Q41-L45 VanDerWaalsContact O-CG 3.3Å; Q41-L45 WeakPolarHBondContact O-CG 3.42Å; Q41-L45 PolarHBondContact O-N 3.09Å; Q41-L45 VanDerWaalsContact O-N 3.16Å
42Y91.5Very high91.2Very high49 Ų4965.3 Ų65.319%0.19235%0.353CS..Hα-helixtrans-64.4-44.1177.8-85.1-73.1000112I21 T38 T39 S44 L45 M46 N76 I78 I91I21-Y42 HydrophobicContact CD1-CD2 4.47Å; I21-Y42 HydrophobicContact CD1-CG 4.34Å; T38-Y42 HydrophobicContact CG2-CD2 3.53Å; T38-Y42 HydrophobicContact CG2-CE2 3.45Å; T38-Y42 VanDerWaalsContact CG2-CE2 3.45Å; T38-Y42 VanDerWaalsContact O-CD2 3.27Å; T38-Y42 WeakPolarHBondContact O-CD2 3.49Å; T38-Y42 PolarHBondContact O-N 3.17Å; T39-Y42 PolarHBondContact O-N 3.31Å; Y42-S44 PolarHBondContact O-N 2.83Å; Y42-L45 PolarHBondContact O-N 3.33Å; Y42-M46 WeakPolarHBondContact O-CB 3.42Å; Y42-M46 WeakPolarHBondContact O-CG 3.4Å; Y42-M46 PolarHBondContact O-N 2.79Å; Y42-N76 PolarHBondContact OH-ND2 2.95Å; Y42-I78 HydrophobicContact CD1-CD1 4.4Å; Y42-I78 HydrophobicContact CE1-CD1 3.81Å; Y42-I91 HydrophobicContact CD1-CD1 4.17Å; Y42-I91 HydrophobicContact CD2-CD1 3.89Å; Y42-I91 HydrophobicContact CE1-CD1 4.19Å; Y42-I91 HydrophobicContact CE2-CD1 3.91Å; Y42-I91 HydrophobicContact CG-CD1 4.03Å
43A91.8Very high91.3Very high1 Ų164.5 Ų64.51%0.00835%0.348CS..Hα-helixtrans-59.1-48.8-179.700000112V23 P29 T39 T40 H47V23-A43 HydrophobicContact CG1-CB 4.02Å; V23-A43 HydrophobicContact CG2-CB 3.69Å; P29-A43 HydrophobicContact CG-CB 3.74Å; T39-A43 WeakPolarHBondContact O-CB 3.21Å; T39-A43 PolarHBondContact O-N 2.97Å; T40-A43 PolarHBondContact O-N 2.8Å; A43-H47 WeakPolarHBondContact O-CB 3.47Å; A43-H47 PolarHBondContact O-N 2.81Å
44S90.9Very high91.3Very high71 Ų7166.3 Ų66.350%0.49735%0.348SS..Hα-helixtrans-64.9-46.4-179.1-177.60000112.6T40 Y42 S48T40-S44 WeakPolarHBondContact O-CB 3.39Å; T40-S44 PolarHBondContact O-N 3.05Å; Y42-S44 PolarHBondContact O-N 2.83Å; S44-S48 PolarHBondContact O-N 2.81Å; S44-S48 PolarHBondContact O-OG 3.3Å
45L91.3Very high91.4Very high98 Ų9867 Ų6751%0.51336%0.357SS..Hα-helixtrans-68.1-44.3-179-69.3174.7000111.9Q41 Y42 F49Q41-L45 HydrophobicContact CG-CD1 3.89Å; Q41-L45 WeakPolarHBondContact O-CB 3.41Å; Q41-L45 VanDerWaalsContact O-CG 3.3Å; Q41-L45 WeakPolarHBondContact O-CG 3.42Å; Q41-L45 PolarHBondContact O-N 3.09Å; Q41-L45 VanDerWaalsContact O-N 3.16Å; Y42-L45 PolarHBondContact O-N 3.33Å; L45-F49 WeakPolarHBondContact O-CB 3.11Å; L45-F49 PolarHBondContact O-N 3.49Å; L45-F49 VanDerWaalsContact O-N 3.09Å
46M91.6Very high91.5Very high22 Ų2266.5 Ų66.511%0.10836%0.358CS..Hα-helixtrans-68-40179.7-69.1-61.498.900111.5Y42 S48 F49 I50 I78 V80 I89Y42-M46 WeakPolarHBondContact O-CB 3.42Å; Y42-M46 WeakPolarHBondContact O-CG 3.4Å; Y42-M46 PolarHBondContact O-N 2.79Å; M46-S48 PolarHBondContact O-N 2.86Å; M46-F49 PolarHBondContact O-N 2.81Å; M46-F49 VanDerWaalsContact O-N 3.14Å; M46-I50 HydrophobicContact CB-CD1 4.25Å; M46-I50 WeakPolarHBondContact O-CB 3.47Å; M46-I50 WeakPolarHBondContact O-CD1 3.04Å; M46-I50 WeakPolarHBondContact O-CG1 3.48Å; M46-I50 PolarHBondContact O-N 3.11Å; M46-I78 HydrophobicContact SD-CG2 4.06Å; M46-V80 HydrophobicContact SD-CG2 4.36Å; M46-I89 HydrophobicContact CB-CD1 3.73Å; M46-I89 HydrophobicContact CG-CD1 4.04Å
47H90.6Very high91.7Very high33 Ų3362.5 Ų62.515%0.15334%0.338CS..Hα-helixtrans-55.8-51.8176.1177.1-92.1000111.9T25 A43 F49 I50 L51 F87T25-H47 PolarHBondContact O-NE2 2.83Å; A43-H47 WeakPolarHBondContact O-CB 3.47Å; A43-H47 PolarHBondContact O-N 2.81Å; H47-F49 VanDerWaalsContact C-N 3.26Å; H47-F49 PolarHBondContact O-N 3.46Å; H47-I50 PolarHBondContact O-N 3.29Å; H47-L51 VanDerWaalsContact CE1-CD1 3.4Å; H47-L51 WeakPolarHBondContact CE1-CD1 3.43Å; H47-L51 WeakPolarHBondContact O-CG 2.95Å; H47-L51 PolarHBondContact O-N 3.41Å; H47-L51 VanDerWaalsContact O-N 3.09Å; H47-F87 AromaticContact CD2-CE2 3.85Å
48S91.1Very high91.7Very high61 Ų6163 Ų6343%0.42733%0.327SS..Hα-helixtrans-61.1-36.3177.4-66.20000112.5S44 M46 K52S44-S48 PolarHBondContact O-N 2.81Å; S44-S48 PolarHBondContact O-OG 3.3Å; M46-S48 PolarHBondContact O-N 2.86Å; S48-K52 WeakPolarHBondContact O-CG 3.32Å; S48-K52 PolarHBondContact O-N 3.23Å
49F92.3Very high91.8Very high92 Ų9268.6 Ų68.640%0.40435%0.351SS..Hα-helixtrans-69.7-46.5178.8-175-99.7000112.3L45 M46 H47 L51 K52 A53 L69 I71L45-F49 WeakPolarHBondContact O-CB 3.11Å; L45-F49 PolarHBondContact O-N 3.49Å; L45-F49 VanDerWaalsContact O-N 3.09Å; M46-F49 PolarHBondContact O-N 2.81Å; M46-F49 VanDerWaalsContact O-N 3.14Å; H47-F49 VanDerWaalsContact C-N 3.26Å; H47-F49 PolarHBondContact O-N 3.46Å; F49-L51 VanDerWaalsContact C-N 3.34Å; F49-L51 PolarHBondContact O-N 3.37Å; F49-K52 PolarHBondContact O-N 3.23Å; F49-A53 HydrophobicContact CE1-CB 4.47Å; F49-A53 WeakPolarHBondContact O-CB 3.42Å; F49-A53 PolarHBondContact O-N 3.17Å; F49-L69 HydrophobicContact CD1-CD2 3.68Å; F49-L69 HydrophobicContact CE1-CD1 4.2Å; F49-L69 HydrophobicContact CE1-CD2 3.5Å; F49-L69 VanDerWaalsContact CE1-CD2 3.5Å; F49-L69 HydrophobicContact CE1-CG 4.4Å; F49-I71 HydrophobicContact CD1-CD1 4.13Å; F49-I71 HydrophobicContact CE1-CD1 3.71Å; F49-I71 HydrophobicContact CZ-CD1 4.28Å
50I90.8Very high91.9Very high4 Ų475.1 Ų75.12%0.02138%0.384CS..Hα-helixtrans-62.8-42.1-179.2-64.8154.7000110.6M46 H47 K52 A53 R54 L66 L69 V80 F87M46-I50 HydrophobicContact CB-CD1 4.25Å; M46-I50 WeakPolarHBondContact O-CB 3.47Å; M46-I50 WeakPolarHBondContact O-CD1 3.04Å; M46-I50 WeakPolarHBondContact O-CG1 3.48Å; M46-I50 PolarHBondContact O-N 3.11Å; H47-I50 PolarHBondContact O-N 3.29Å; I50-K52 VanDerWaalsContact C-N 3.31Å; I50-K52 PolarHBondContact O-N 2.93Å; I50-A53 PolarHBondContact O-N 3.4Å; I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.47Å; I50-R54 PolarHBondContact O-N 2.85Å; I50-L66 HydrophobicContact CG2-CD2 4.15Å; I50-L69 HydrophobicContact CG1-CD2 4.43Å; I50-V80 HydrophobicContact CD1-CB 4.44Å; I50-V80 HydrophobicContact CD1-CG1 3.3Å; I50-V80 HydrophobicContact CG1-CG1 3.83Å; I50-F87 HydrophobicContact CD1-CB 4.5Å; I50-F87 HydrophobicContact CD1-CD1 3.91Å; I50-F87 HydrophobicContact CD1-CE1 4.4Å; I50-F87 HydrophobicContact CD1-CG 4.2Å; I50-F87 HydrophobicContact CG2-CD1 4.12Å; I50-F87 HydrophobicContact CG2-CE1 3.66Å; I50-F87 HydrophobicContact CG2-CZ 4.38Å
51L89.6Confident91.9Very high83 Ų8373.6 Ų73.644%0.43537%0.373SS..Hα-helixtrans-57.4-46176.3-74.6177000111.5H47 F49 S55H47-L51 VanDerWaalsContact CE1-CD1 3.4Å; H47-L51 WeakPolarHBondContact CE1-CD1 3.43Å; H47-L51 WeakPolarHBondContact O-CG 2.95Å; H47-L51 PolarHBondContact O-N 3.41Å; H47-L51 VanDerWaalsContact O-N 3.09Å; F49-L51 VanDerWaalsContact C-N 3.34Å; F49-L51 PolarHBondContact O-N 3.37Å; L51-S55 PolarHBondContact O-N 2.58Å; L51-S55 VanDerWaalsContact O-N 3.12Å; L51-S55 PolarHBondContact O-OG 2.69Å
52K92.6Very high92Very high152 Ų15273 Ų7366%0.66138%0.38SS*.Hα-helixtrans-65.6-47.1176.5-69.8176.8-178-1770111.7S48 F49 I50 R54 S55 T56S48-K52 WeakPolarHBondContact O-CG 3.32Å; S48-K52 PolarHBondContact O-N 3.23Å; F49-K52 PolarHBondContact O-N 3.23Å; I50-K52 VanDerWaalsContact C-N 3.31Å; I50-K52 PolarHBondContact O-N 2.93Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.69Å; K52-S55 PolarHBondContact O-N 3Å; K52-T56 PolarHBondContact O-N 2.83Å; K52-T56 PolarHBondContact O-OG1 2.77Å; K52-T56 VanDerWaalsContact O-OG1 3.11Å
53A92.6Very high92.1Very high19 Ų1979.2 Ų79.216%0.15741%0.411CS..Hα-helixtrans-59.2-43.2179.900000111.9F49 I50 T56 V57 L66F49-A53 HydrophobicContact CE1-CB 4.47Å; F49-A53 WeakPolarHBondContact O-CB 3.42Å; F49-A53 PolarHBondContact O-N 3.17Å; I50-A53 PolarHBondContact O-N 3.4Å; A53-T56 PolarHBondContact O-N 2.79Å; A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 2.72Å; A53-L66 HydrophobicContact CB-CD2 3.98Å
54R90.4Very high92Very high100 Ų10083.2 Ų83.238%0.37743%0.432SS..Hα-helixtrans-62.7-44.6176.4-169.3-173.5-173.3-166.710.9111.9I50 K52 V57 R58 D65 L66I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.47Å; I50-R54 PolarHBondContact O-N 2.85Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.69Å; R54-V57 PolarHBondContact O-N 2.67Å; R54-R58 VanDerWaalsContact CZ-NH2 3.31Å; R54-R58 WeakPolarHBondContact O-CG 3.37Å; R54-R58 PolarHBondContact O-N 2.83Å; R54-R58 VanDerWaalsContact O-N 3.1Å; R54-D65 VanDerWaalsContact CG-OD1 3.3Å; R54-D65 WeakPolarHBondContact CG-OD1 3.19Å; R54-D65 IonicContact CZ-OD1 3.67Å; R54-D65 IonicContact CZ-OD2 3.55Å; R54-D65 IonicContact NE-OD1 2.69Å; R54-D65 PolarHBondContact NE-OD1 3.14Å; R54-D65 IonicContact NE-OD2 2.96Å; R54-D65 PolarHBondContact NE-OD2 3.28Å; R54-D65 IonicContact NH2-OD1 3.68Å; R54-D65 IonicContact NH2-OD2 2.8Å; R54-D65 PolarHBondContact NH2-OD2 2.81Å; R54-L66 HydrophobicContact CB-CB 4.29Å; R54-L66 HydrophobicContact CB-CD2 4.48Å; R54-L66 HydrophobicContact CG-CB 4.27Å
55S91.7Very high91.9Very high64 Ų6483 Ų8345%0.44843%0.425SS..Hα-helixtrans-60.3-45.9175.4-65.30000111.5L51 K52 V57 R58 E59L51-S55 PolarHBondContact O-N 2.58Å; L51-S55 VanDerWaalsContact O-N 3.12Å; L51-S55 PolarHBondContact O-OG 2.69Å; K52-S55 PolarHBondContact O-N 3Å; S55-V57 PolarHBondContact O-N 2.91Å; S55-R58 PolarHBondContact O-N 2.96Å; S55-E59 WeakPolarHBondContact O-CG 3.33Å; S55-E59 PolarHBondContact O-N 3.16Å
56T93.6Very high91.8Very high73 Ų7379.5 Ų79.545%0.44841%0.407SS..Hα-helixtrans-63-39.7178.3-56.50000112.7K52 A53 R58 E59 I60K52-T56 PolarHBondContact O-N 2.83Å; K52-T56 PolarHBondContact O-OG1 2.77Å; K52-T56 VanDerWaalsContact O-OG1 3.11Å; A53-T56 PolarHBondContact O-N 2.79Å; T56-R58 VanDerWaalsContact C-N 3.33Å; T56-R58 PolarHBondContact O-N 3.5Å; T56-E59 PolarHBondContact O-N 3.35Å; T56-I60 HydrophobicContact CG2-CD1 4.44Å; T56-I60 WeakPolarHBondContact O-CG1 3.49Å; T56-I60 PolarHBondContact O-N 3.27Å
57V92.7Very high91.8Very high44 Ų4483.9 Ų83.927%0.26744%0.435SS..Hα-helixtrans-61.2-43.4175169.60000110.9A53 R54 S55 I60 D61 N64 L66A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 2.72Å; R54-V57 PolarHBondContact O-N 2.67Å; S55-V57 PolarHBondContact O-N 2.91Å; V57-I60 PolarHBondContact O-N 3.37Å; V57-D61 PolarHBondContact O-N 3.44Å; V57-N64 HydrophobicContact CG1-CB 3.94Å; V57-L66 HydrophobicContact CG2-CD1 4.5Å
58R92.2Very high91.8Very high105 Ų10587 Ų8740%0.39645%0.448SS..Hα-helixtrans-70.1-29.6178.4-71.8176.3174.8-152.1-9.6113.8R54 S55 T56 I60 D61 P62 D65R54-R58 VanDerWaalsContact CZ-NH2 3.31Å; R54-R58 WeakPolarHBondContact O-CG 3.37Å; R54-R58 PolarHBondContact O-N 2.83Å; R54-R58 VanDerWaalsContact O-N 3.1Å; S55-R58 PolarHBondContact O-N 2.96Å; T56-R58 VanDerWaalsContact C-N 3.33Å; T56-R58 PolarHBondContact O-N 3.5Å; R58-I60 VanDerWaalsContact C-N 3.3Å; R58-D61 CarbonylContact O-C 3.57Å; R58-P62 WeakPolarHBondContact O-CA 3.14Å; R58-D65 IonicContact CZ-OD1 3.49Å; R58-D65 IonicContact CZ-OD2 3.96Å; R58-D65 IonicContact NE-OD1 2.69Å; R58-D65 PolarHBondContact NE-OD1 3.09Å; R58-D65 IonicContact NH2-OD1 2.79Å; R58-D65 IonicContact NH2-OD2 3.6Å; R58-D65 PolarHBondContact NH2-OD2 2.8Å
59E94.8Very high91.9Very high155 Ų15585.5 Ų85.572%0.72444%0.435SS*.Hα-helixtrans-67.5-31.7173.1-77.4172.9-175.800112S55 T56S55-E59 WeakPolarHBondContact O-CG 3.33Å; S55-E59 PolarHBondContact O-N 3.16Å; T56-E59 PolarHBondContact O-N 3.35Å
60I94.8Very high92Very high141 Ų14188 Ų8872%0.72344%0.442SS*.Hα-helixtrans-76.2-49.8175.7-64.4165.6000110.7T56 V57 R58T56-I60 HydrophobicContact CG2-CD1 4.44Å; T56-I60 WeakPolarHBondContact O-CG1 3.49Å; T56-I60 PolarHBondContact O-N 3.27Å; V57-I60 PolarHBondContact O-N 3.37Å; R58-I60 VanDerWaalsContact C-N 3.3Å
61D92.5Very high92.1Very high54 Ų5490.5 Ų90.529%0.28946%0.455SS..  trans-143.7111.9175.2-176.6-9.6000110V57 R58 Q63 N64V57-D61 PolarHBondContact O-N 3.44Å; R58-D61 CarbonylContact O-C 3.57Å; D61-Q63 PolarHBondContact O-N 3.47Å; D61-Q63 VanDerWaalsContact O-N 3.08Å; D61-Q63 WeakPolarHBondContact OD1-CB 3.2Å; D61-Q63 PolarHBondContact OD1-N 2.87Å; D61-N64 HydrophobicContact CB-CB 4.27Å; D61-N64 PolarHBondContact O-N 3.44Å; D61-N64 PolarHBondContact OD2-ND2 3.1Å; D61-N64 VanDerWaalsContact OD2-ND2 3.14Å
62P92.7Very high92.3Very high113 Ų11394.5 Ų94.573%0.73446%0.464SS*.THydrogen-bonded Turntrans-61.1-17.6178.9-24.434.1000114.8R58 N64R58-P62 WeakPolarHBondContact O-CA 3.14Å; P62-N64 VanDerWaalsContact C-N 3.34Å
63Q93.4Very high92.2Very high179 Ų17990 Ų9084%0.83645%0.452SS*.THydrogen-bonded Turntrans-83.4-11.7177.4-58-172.37.100112.8D61D61-Q63 PolarHBondContact O-N 3.47Å; D61-Q63 VanDerWaalsContact O-N 3.08Å; D61-Q63 WeakPolarHBondContact OD1-CB 3.2Å; D61-Q63 PolarHBondContact OD1-N 2.87Å
64N90.8Very high92Very high85 Ų8599.1 Ų99.146%0.45549%0.488SS..  trans-96.7143.6-179.1-70.1-164.3000110.5V57 D61 P62V57-N64 HydrophobicContact CG1-CB 3.94Å; D61-N64 HydrophobicContact CB-CB 4.27Å; D61-N64 PolarHBondContact O-N 3.44Å; D61-N64 PolarHBondContact OD2-ND2 3.1Å; D61-N64 VanDerWaalsContact OD2-ND2 3.14Å; P62-N64 VanDerWaalsContact C-N 3.34Å
65D88.1Confident91.8Very high66 Ų66102.2 Ų102.235%0.35350%0.504SS..  trans-125.7151.6170.3-149.8-4.8000110.2R54 R58 T67R54-D65 VanDerWaalsContact CG-OD1 3.3Å; R54-D65 WeakPolarHBondContact CG-OD1 3.19Å; R54-D65 IonicContact CZ-OD1 3.67Å; R54-D65 IonicContact CZ-OD2 3.55Å; R54-D65 IonicContact NE-OD1 2.69Å; R54-D65 PolarHBondContact NE-OD1 3.14Å; R54-D65 IonicContact NE-OD2 2.96Å; R54-D65 PolarHBondContact NE-OD2 3.28Å; R54-D65 IonicContact NH2-OD1 3.68Å; R54-D65 IonicContact NH2-OD2 2.8Å; R54-D65 PolarHBondContact NH2-OD2 2.81Å; R58-D65 IonicContact CZ-OD1 3.49Å; R58-D65 IonicContact CZ-OD2 3.96Å; R58-D65 IonicContact NE-OD1 2.69Å; R58-D65 PolarHBondContact NE-OD1 3.09Å; R58-D65 IonicContact NH2-OD1 2.79Å; R58-D65 IonicContact NH2-OD2 3.6Å; R58-D65 PolarHBondContact NH2-OD2 2.8Å; D65-T67 PolarHBondContact O-N 2.83Å; D65-T67 VanDerWaalsContact O-N 3.15Å
66L88.7Confident91.7Very high25 Ų25100.5 Ų100.513%0.13149%0.49CS..  trans-72.8109.3177.1-177.267.7000108.7I50 A53 R54 V57 L69 P82I50-L66 HydrophobicContact CG2-CD2 4.15Å; A53-L66 HydrophobicContact CB-CD2 3.98Å; R54-L66 HydrophobicContact CB-CB 4.29Å; R54-L66 HydrophobicContact CB-CD2 4.48Å; R54-L66 HydrophobicContact CG-CB 4.27Å; V57-L66 HydrophobicContact CG2-CD1 4.5Å; L66-L69 HydrophobicContact CD1-CB 4.39Å; L66-P82 HydrophobicContact CG-CG 4.41Å; L66-P82 WeakPolarHBondContact O-CG 3.45Å
67T90.8Very high91.6Very high114 Ų11497.3 Ų97.370%0.69947%0.47SS*.  trans-96.8-31.2179.154.50000112.8D65 P82D65-T67 PolarHBondContact O-N 2.83Å; D65-T67 VanDerWaalsContact O-N 3.15Å; T67-P82 WeakPolarHBondContact O-CD 3.41Å
68F92.4Very high91.7Very high97 Ų9796.2 Ų96.243%0.42546%0.462SS..  trans-156.6140.7-178-165.1-103.6000110.9R70 M79 V80 A81F68-R70 HydrophobicContact CE1-CB 4.03Å; F68-M79 HydrophobicContact CE1-CE 3.84Å; F68-M79 HydrophobicContact CE1-CG 4.33Å; F68-M79 HydrophobicContact CE2-CB 4.37Å; F68-M79 HydrophobicContact CE2-CE 4.48Å; F68-M79 HydrophobicContact CZ-CB 3.7Å; F68-M79 HydrophobicContact CZ-CE 3.39Å; F68-M79 HydrophobicContact CZ-CG 3.82Å; F68-M79 HydrophobicContact CZ-SD 4.24Å; F68-V80 WeakPolarHBondContact CD2-O 3.41Å; F68-A81 HydrophobicContact CD2-CB 3.93Å; F68-A81 HydrophobicContact CE2-CB 4.11Å
69L92.1Very high91.7Very high30 Ų3093.5 Ų93.516%0.15746%0.455CS..EExtended strand (participates in β ladder)trans-132.6126.9179.8173.474.7000109.3F49 I50 L66 I71 M79 V80F49-L69 HydrophobicContact CD1-CD2 3.68Å; F49-L69 HydrophobicContact CE1-CD1 4.2Å; F49-L69 HydrophobicContact CE1-CD2 3.5Å; F49-L69 VanDerWaalsContact CE1-CD2 3.5Å; F49-L69 HydrophobicContact CE1-CG 4.4Å; I50-L69 HydrophobicContact CG1-CD2 4.43Å; L66-L69 HydrophobicContact CD1-CB 4.39Å; L69-I71 HydrophobicContact CD1-CG1 4.46Å; L69-I71 HydrophobicContact CD2-CD1 4.16Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.29Å; L69-M79 CarbonylContact O-C 3.45Å; L69-M79 WeakPolarHBondContact O-CA 3.48Å; L69-V80 HydrophobicContact CB-CB 4.25Å; L69-V80 HydrophobicContact CD2-CB 4.4Å; L69-V80 HydrophobicContact CD2-CG2 4.38Å; L69-V80 PolarHBondContact N-O 2.99Å; L69-V80 PolarHBondContact O-N 3.1Å
70R94.2Very high91.6Very high145 Ų14586.2 Ų86.255%0.54742%0.421SS..EExtended strand (participates in β ladder)trans-124.6118.3178.5-174.7-178.6177.7166.99.8109.6F68 E77 I78 M79F68-R70 HydrophobicContact CE1-CB 4.03Å; R70-E77 HydrophobicContact CG-CG 4.43Å; R70-E77 IonicContact CZ-OE1 3.01Å; R70-E77 IonicContact CZ-OE2 3.66Å; R70-E77 VanDerWaalsContact NE-CD 3.3Å; R70-E77 IonicContact NE-OE1 2.58Å; R70-E77 PolarHBondContact NE-OE1 3.24Å; R70-E77 IonicContact NE-OE2 3.63Å; R70-E77 IonicContact NH2-OE1 2.81Å; R70-E77 PolarHBondContact NH2-OE1 2.86Å; R70-E77 IonicContact NH2-OE2 2.83Å; R70-E77 PolarHBondContact NH2-OE2 2.6Å; R70-I78 CarbonylContact C-O 3.58Å; R70-I78 WeakPolarHBondContact CA-O 3.03Å; R70-M79 HydrophobicContact CG-CG 4.18Å
71I93Very high91.4Very high56 Ų5681 Ų8129%0.28740%0.398SS..EExtended strand (participates in β ladder)trans-113.5111178.2-57.8164.9000107.9F49 L69 E77 I78F49-I71 HydrophobicContact CD1-CD1 4.13Å; F49-I71 HydrophobicContact CE1-CD1 3.71Å; F49-I71 HydrophobicContact CZ-CD1 4.28Å; L69-I71 HydrophobicContact CD1-CG1 4.46Å; L69-I71 HydrophobicContact CD2-CD1 4.16Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.29Å; I71-E77 CarbonylContact O-C 3.57Å; I71-E77 WeakPolarHBondContact O-CA 3.49Å; I71-I78 HydrophobicContact CB-CB 4.49Å; I71-I78 PolarHBondContact N-O 2.72Å; I71-I78 PolarHBondContact O-N 3.4Å
72R93.4Very high91.2Very high168 Ų16879.9 Ų79.963%0.63439%0.394SS*.EExtended strand (participates in β ladder)trans-100.3120175.1-168.3173.4-177.8-176.73.3110.1E77 P94R72-E77 HydrophobicContact CB-CG 4Å; R72-E77 HydrophobicContact CG-CB 4.38Å; R72-E77 HydrophobicContact CG-CG 4.1Å; R72-E77 IonicContact NE-OE2 3.99Å; R72-P94 HydrophobicContact CG-CB 4.07Å; R72-P94 PolarHBondContact NH2-O 3.3Å
73S90.8Very high90.9Very high57 Ų5778.3 Ų78.340%0.39938%0.38SS..  trans-108.3175168.579.20000110.2K75 N76 P94S73-K75 PolarHBondContact O-N 2.77Å; S73-K75 PolarHBondContact OG-N 2.83Å; S73-N76 WeakPolarHBondContact CA-O 3.44Å; S73-N76 WeakPolarHBondContact CB-O 3.13Å; S73-N76 PolarHBondContact N-O 2.71Å; S73-N76 PolarHBondContact OG-N 2.81Å; S73-N76 PolarHBondContact OG-O 3.13Å; S73-P94 WeakPolarHBondContact O-CB 3.27Å; S73-P94 WeakPolarHBondContact O-CG 3.3Å
74K89.6Confident90.3Very high211 Ų21178.2 Ų78.292%0.91738%0.377SS*.SBendtrans-66-27174.5-66.1-175.7179-178.90113.1
75K86.4Confident90Very high165 Ų16579.8 Ų79.872%0.71739%0.385SS*.SBendtrans-99.9-46.2-173.5-170.7-176.4175.4178.60112.1S73 P94S73-K75 PolarHBondContact O-N 2.77Å; S73-K75 PolarHBondContact OG-N 2.83Å; K75-P94 VanDerWaalsContact C-CD 3.48Å; K75-P94 WeakPolarHBondContact O-CD 3.27Å; K75-P94 WeakPolarHBondContact O-CG 3.42Å
76N88.2Confident90Very high28 Ų2881.4 Ų81.415%0.1539%0.387CS..  trans-135152.4-174.2-61.4-15.5000110.1Y42 S73 I91Y42-N76 PolarHBondContact OH-ND2 2.95Å; S73-N76 WeakPolarHBondContact CA-O 3.44Å; S73-N76 WeakPolarHBondContact CB-O 3.13Å; S73-N76 PolarHBondContact N-O 2.71Å; S73-N76 PolarHBondContact OG-N 2.81Å; S73-N76 PolarHBondContact OG-O 3.13Å; N76-I91 HydrophobicContact CB-CG2 4.49Å
77E92.8Very high90Very high5 Ų581.1 Ų81.12%0.02339%0.385CS..EExtended strand (participates in β ladder)trans-115.8130.7164.6-169-170.413000109.3R70 I71 R72 I91 Q92 P94R70-E77 HydrophobicContact CG-CG 4.43Å; R70-E77 IonicContact CZ-OE1 3.01Å; R70-E77 IonicContact CZ-OE2 3.66Å; R70-E77 VanDerWaalsContact NE-CD 3.3Å; R70-E77 IonicContact NE-OE1 2.58Å; R70-E77 PolarHBondContact NE-OE1 3.24Å; R70-E77 IonicContact NE-OE2 3.63Å; R70-E77 IonicContact NH2-OE1 2.81Å; R70-E77 PolarHBondContact NH2-OE1 2.86Å; R70-E77 IonicContact NH2-OE2 2.83Å; R70-E77 PolarHBondContact NH2-OE2 2.6Å; I71-E77 CarbonylContact O-C 3.57Å; I71-E77 WeakPolarHBondContact O-CA 3.49Å; R72-E77 HydrophobicContact CB-CG 4Å; R72-E77 HydrophobicContact CG-CB 4.38Å; R72-E77 HydrophobicContact CG-CG 4.1Å; R72-E77 IonicContact NE-OE2 3.99Å; E77-I91 WeakPolarHBondContact O-CA 3.31Å; E77-Q92 HydrophobicContact CB-CG 3.72Å; E77-Q92 VanDerWaalsContact CD-NE2 3.26Å; E77-Q92 HydrophobicContact CG-CG 4.27Å; E77-Q92 PolarHBondContact N-O 2.97Å; E77-Q92 PolarHBondContact O-N 3.38Å; E77-Q92 PolarHBondContact OE1-NE2 3.32Å; E77-P94 HydrophobicContact CB-CB 4.19Å
78I93.5Very high90Very high21 Ų2177.6 Ų77.611%0.10836%0.361CS..EExtended strand (participates in β ladder)trans-116.8120.6-176.3-53.5173.4000107.8Y42 M46 R70 I71 V80 I89 V90Y42-I78 HydrophobicContact CD1-CD1 4.4Å; Y42-I78 HydrophobicContact CE1-CD1 3.81Å; M46-I78 HydrophobicContact SD-CG2 4.06Å; R70-I78 CarbonylContact C-O 3.58Å; R70-I78 WeakPolarHBondContact CA-O 3.03Å; I71-I78 HydrophobicContact CB-CB 4.49Å; I71-I78 PolarHBondContact N-O 2.72Å; I71-I78 PolarHBondContact O-N 3.4Å; I78-V80 HydrophobicContact CG2-CG2 4.08Å; I78-I89 HydrophobicContact CG2-CG2 3.95Å; I78-V90 WeakPolarHBondContact CA-O 3.45Å
79M93.1Very high90Very high49 Ų4973 Ų7324%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-106.9133173-72.2172.7104.400108.6F68 L69 R70 I89 V90 Q92F68-M79 HydrophobicContact CE1-CE 3.84Å; F68-M79 HydrophobicContact CE1-CG 4.33Å; F68-M79 HydrophobicContact CE2-CB 4.37Å; F68-M79 HydrophobicContact CE2-CE 4.48Å; F68-M79 HydrophobicContact CZ-CB 3.7Å; F68-M79 HydrophobicContact CZ-CE 3.39Å; F68-M79 HydrophobicContact CZ-CG 3.82Å; F68-M79 HydrophobicContact CZ-SD 4.24Å; L69-M79 CarbonylContact O-C 3.45Å; L69-M79 WeakPolarHBondContact O-CA 3.48Å; R70-M79 HydrophobicContact CG-CG 4.18Å; M79-I89 CarbonylContact O-C 3.6Å; M79-I89 WeakPolarHBondContact O-CA 3.32Å; M79-V90 HydrophobicContact CB-CB 4.22Å; M79-V90 PolarHBondContact N-O 2.67Å; M79-V90 PolarHBondContact O-N 3.47Å; M79-Q92 PolarHBondContact SD-NE2 3.33Å
80V92.6Very high90.1Very high1 Ų172.2 Ų72.21%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-128.7124.3177.6-1750000108.9M46 I50 F68 L69 I78 L88 I89M46-V80 HydrophobicContact SD-CG2 4.36Å; I50-V80 HydrophobicContact CD1-CB 4.44Å; I50-V80 HydrophobicContact CD1-CG1 3.3Å; I50-V80 HydrophobicContact CG1-CG1 3.83Å; F68-V80 WeakPolarHBondContact CD2-O 3.41Å; L69-V80 HydrophobicContact CB-CB 4.25Å; L69-V80 HydrophobicContact CD2-CB 4.4Å; L69-V80 HydrophobicContact CD2-CG2 4.38Å; L69-V80 PolarHBondContact N-O 2.99Å; L69-V80 PolarHBondContact O-N 3.1Å; I78-V80 HydrophobicContact CG2-CG2 4.08Å; V80-L88 CarbonylContact C-O 3.33Å; V80-L88 VanDerWaalsContact CA-O 3.29Å; V80-L88 WeakPolarHBondContact CA-O 3.41Å; V80-I89 HydrophobicContact CG1-CG1 4.44Å; V80-I89 HydrophobicContact CG2-CG1 4.39Å
81A91.2Very high90Very high31 Ų3165.4 Ų65.426%0.25631%0.312SS..EExtended strand (participates in β ladder)trans-112.4105.4170.100000109.2F68 L88F68-A81 HydrophobicContact CD2-CB 3.93Å; F68-A81 HydrophobicContact CE2-CB 4.11Å; A81-L88 HydrophobicContact CB-CB 4.38Å; A81-L88 PolarHBondContact N-O 2.9Å; A81-L88 PolarHBondContact O-N 3.04Å
82P88.1Confident90Very high32 Ų3264 Ų6421%0.20830%0.304CS..EExtended strand (participates in β ladder)trans-72.1131.2168.130-35.5000111.4L66 T67 F87L66-P82 HydrophobicContact CG-CG 4.41Å; L66-P82 WeakPolarHBondContact O-CG 3.45Å; T67-P82 WeakPolarHBondContact O-CD 3.41Å; P82-F87 HydrophobicContact CB-CD1 3.66Å; P82-F87 HydrophobicContact CB-CE1 3.65Å
83D86.3Confident89.8Confident79 Ų7958.5 Ų58.542%0.42229%0.287SS..  trans-118.3177.8166.1-155.7-20.4000109.1D85 Y86D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.06Å; D83-Y86 CarbonylContact C-O 3.59Å; D83-Y86 WeakPolarHBondContact CA-O 3.35Å; D83-Y86 HydrophobicContact CB-CD1 4.21Å; D83-Y86 HydrophobicContact CB-CD2 4.22Å; D83-Y86 HydrophobicContact CB-CE1 3.83Å; D83-Y86 HydrophobicContact CB-CE2 3.89Å; D83-Y86 HydrophobicContact CB-CG 4.38Å; D83-Y86 PolarHBondContact N-O 3.5Å; D83-Y86 WeakPolarHBondContact OD2-CE1 3.35Å; D83-Y86 PolarHBondContact OD2-OH 3.47Å
84K79.8Confident89.5Confident178 Ų17856 Ų5677%0.77427%0.27SS*.SBendtrans-55.5-44-174.6-68.6-179-179.6175.70113.1
85D84.3Confident88.6Confident118 Ų11851.6 Ų51.663%0.63126%0.261SS*.SBendtrans-119.3-4.6-169.6-56.9-45.6000113.5T25 D83T25-D85 PolarHBondContact N-O 3.49Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.06Å
86Y88.1Confident87Confident99 Ų9950.8 Ų50.839%0.38826%0.26SS..EExtended strand (participates in β ladder)trans-153.4159.4-177.361.1-85000112.5V22 V23 D83V22-Y86 HydrophobicContact CG1-CD2 4.44Å; V23-Y86 CarbonylContact O-C 3.59Å; V23-Y86 WeakPolarHBondContact O-CA 3.47Å; V23-Y86 WeakPolarHBondContact O-CB 3.39Å; D83-Y86 CarbonylContact C-O 3.59Å; D83-Y86 WeakPolarHBondContact CA-O 3.35Å; D83-Y86 HydrophobicContact CB-CD1 4.21Å; D83-Y86 HydrophobicContact CB-CD2 4.22Å; D83-Y86 HydrophobicContact CB-CE1 3.83Å; D83-Y86 HydrophobicContact CB-CE2 3.89Å; D83-Y86 HydrophobicContact CB-CG 4.38Å; D83-Y86 PolarHBondContact N-O 3.5Å; D83-Y86 WeakPolarHBondContact OD2-CE1 3.35Å; D83-Y86 PolarHBondContact OD2-OH 3.47Å
87F89.1Confident87Confident20 Ų2052 Ų529%0.08827%0.265CS..EExtended strand (participates in β ladder)trans-113.7128.5170.5-56.8-77.3000108.9V23 H47 I50 P82V23-F87 HydrophobicContact CB-CB 4.44Å; V23-F87 PolarHBondContact N-O 3.35Å; V23-F87 PolarHBondContact O-N 2.98Å; H47-F87 AromaticContact CD2-CE2 3.85Å; I50-F87 HydrophobicContact CD1-CB 4.5Å; I50-F87 HydrophobicContact CD1-CD1 3.91Å; I50-F87 HydrophobicContact CD1-CE1 4.4Å; I50-F87 HydrophobicContact CD1-CG 4.2Å; I50-F87 HydrophobicContact CG2-CD1 4.12Å; I50-F87 HydrophobicContact CG2-CE1 3.66Å; I50-F87 HydrophobicContact CG2-CZ 4.38Å; P82-F87 HydrophobicContact CB-CD1 3.66Å; P82-F87 HydrophobicContact CB-CE1 3.65Å
88L91.4Very high86.7Confident39 Ų3954.4 Ų54.420%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-96.1121.5168.5-178.768.6000108.8L8 L11 I20 V22 V80 A81 V90L8-L88 HydrophobicContact CD2-CD1 4.15Å; L11-L88 HydrophobicContact CD1-CD2 3.94Å; I20-L88 HydrophobicContact CG2-CD1 3.67Å; V22-L88 HydrophobicContact CG2-CD1 3.91Å; V80-L88 CarbonylContact C-O 3.33Å; V80-L88 VanDerWaalsContact CA-O 3.29Å; V80-L88 WeakPolarHBondContact CA-O 3.41Å; A81-L88 HydrophobicContact CB-CB 4.38Å; A81-L88 PolarHBondContact N-O 2.9Å; A81-L88 PolarHBondContact O-N 3.04Å; L88-V90 HydrophobicContact CD2-CG2 4.37Å; L88-V90 HydrophobicContact CG-CG2 4.19Å
89I92.8Very high86.3Confident2 Ų256.3 Ų56.31%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-113.6124.5176.3-54.6167.9000107.6I20 I21 V23 M46 I78 M79 V80 I91I20-I89 CarbonylContact C-O 3.56Å; I20-I89 WeakPolarHBondContact CA-O 3.21Å; I21-I89 HydrophobicContact CB-CB 4.24Å; I21-I89 PolarHBondContact N-O 2.97Å; I21-I89 PolarHBondContact O-N 2.72Å; V23-I89 HydrophobicContact CG2-CD1 3.74Å; M46-I89 HydrophobicContact CB-CD1 3.73Å; M46-I89 HydrophobicContact CG-CD1 4.04Å; I78-I89 HydrophobicContact CG2-CG2 3.95Å; M79-I89 CarbonylContact O-C 3.6Å; M79-I89 WeakPolarHBondContact O-CA 3.32Å; V80-I89 HydrophobicContact CG1-CG1 4.44Å; V80-I89 HydrophobicContact CG2-CG1 4.39Å; I89-I91 HydrophobicContact CG2-CG1 4.44Å
90V93Very high85.9Confident12 Ų1256.7 Ų56.77%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-118.7127.5175.6-176.60000108.2V17 I20 I78 M79 L88V17-V90 HydrophobicContact CG1-CG1 4.05Å; V17-V90 HydrophobicContact CG2-CG1 4.13Å; I20-V90 HydrophobicContact CG1-CG1 4.48Å; I20-V90 HydrophobicContact CG2-CG2 4.42Å; I78-V90 WeakPolarHBondContact CA-O 3.45Å; M79-V90 HydrophobicContact CB-CB 4.22Å; M79-V90 PolarHBondContact N-O 2.67Å; M79-V90 PolarHBondContact O-N 3.47Å; L88-V90 HydrophobicContact CD2-CG2 4.37Å; L88-V90 HydrophobicContact CG-CG2 4.19Å
91I92.9Very high85.5Confident2 Ų260.2 Ų60.21%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-109.5124.1177.6-60.9155.7000107.1Q18 G19 I21 M34 Y42 N76 E77 I89Q18-I91 HydrophobicContact CB-CG2 4.41Å; Q18-I91 PolarHBondContact N-O 2.89Å; G19-I91 PolarHBondContact N-O 3.37Å; G19-I91 VanDerWaalsContact N-O 3.1Å; G19-I91 PolarHBondContact O-N 3.05Å; I21-I91 HydrophobicContact CD1-CD1 4.07Å; M34-I91 HydrophobicContact CE-CD1 4.49Å; M34-I91 HydrophobicContact SD-CD1 3.45Å; M34-I91 WeakPolarHBondContact SD-CD1 3.18Å; Y42-I91 HydrophobicContact CD1-CD1 4.17Å; Y42-I91 HydrophobicContact CD2-CD1 3.89Å; Y42-I91 HydrophobicContact CE1-CD1 4.19Å; Y42-I91 HydrophobicContact CE2-CD1 3.91Å; Y42-I91 HydrophobicContact CG-CD1 4.03Å; N76-I91 HydrophobicContact CB-CG2 4.49Å; E77-I91 WeakPolarHBondContact O-CA 3.31Å; I89-I91 HydrophobicContact CG2-CG1 4.44Å
92Q92.1Very high85.1Confident27 Ų2762.1 Ų62.113%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-134.7161.4-178.767.6-172.3-13.400112.1G16 E77 M79G16-Q92 CarbonylContact O-C 3.59Å; G16-Q92 WeakPolarHBondContact O-CA 3.37Å; G16-Q92 WeakPolarHBondContact O-CB 3.48Å; E77-Q92 HydrophobicContact CB-CG 3.72Å; E77-Q92 VanDerWaalsContact CD-NE2 3.26Å; E77-Q92 HydrophobicContact CG-CG 4.27Å; E77-Q92 PolarHBondContact N-O 2.97Å; E77-Q92 PolarHBondContact O-N 3.38Å; E77-Q92 PolarHBondContact OE1-NE2 3.32Å; M79-Q92 PolarHBondContact SD-NE2 3.33Å
93N90.8Very high84.9Confident52 Ų5264.3 Ų64.328%0.27832%0.319SS..  trans-75.5126.5175.5-167.6-28.8000109.5G16 T95G16-N93 PolarHBondContact O-N 3.48Å; N93-T95 PolarHBondContact O-N 3.1Å; N93-T95 PolarHBondContact OD1-N 3.37Å; N93-T95 VanDerWaalsContact OD1-N 3.13Å; N93-T95 PolarHBondContact OD1-OG1 2.96Å
94P83.1Confident84.8Confident5 Ų563.2 Ų63.23%0.03231%0.311CS..THydrogen-bonded Turntrans-74.4-6.8-177.732.2-38.9000113.3R72 S73 K75 E77R72-P94 HydrophobicContact CG-CB 4.07Å; R72-P94 PolarHBondContact NH2-O 3.3Å; S73-P94 WeakPolarHBondContact O-CB 3.27Å; S73-P94 WeakPolarHBondContact O-CG 3.3Å; K75-P94 VanDerWaalsContact C-CD 3.48Å; K75-P94 WeakPolarHBondContact O-CD 3.27Å; K75-P94 WeakPolarHBondContact O-CG 3.42Å; E77-P94 HydrophobicContact CB-CB 4.19Å
95T71.4Confident85.2Confident119 Ų11953.6 Ų53.673%0.7327%0.272SS*.THydrogen-bonded Turntrans-109.52.2-174.321.90000114.6N93N93-T95 PolarHBondContact O-N 3.1Å; N93-T95 PolarHBondContact OD1-N 3.37Å; N93-T95 VanDerWaalsContact OD1-N 3.13Å; N93-T95 PolarHBondContact OD1-OG1 2.96Å
96E53.6Low85.3Confident148 Ų14847.7 Ų47.769%0.69224%0.239SC*.  trans-92.70163.8-75.9-159.3117.500112.3K15 G16K15-E96 WeakPolarHBondContact CE-OE1 3.43Å; K15-E96 IonicContact NZ-OE1 3.96Å; K15-E96 PolarHBondContact NZ-OE1 2.69Å; G16-E96 WeakPolarHBondContact CA-OE2 3.44Å; G16-E96 PolarHBondContact N-OE2 2.76Å

Retrieved 96 of 96 residues in 311.9 ms (Link to these results)

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