A0A061AKY5_CAEEL Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKY5, Species CAEEL (Caenorhabditis elegans), Gene spp-18, Length 92 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
1M48.1Very low72.2Confident243 Ų243103.6 Ų103.6100%1.19754%0.54SS*.  0131.30-78.5170158.900106.6
2A61.7Low73.2Confident102 Ų102100.6 Ų100.684%0.84353%0.525SS*.  trans-69.7131.3172.900000108.4
3K75.3Confident74.2Confident106 Ų10696.6 Ų96.646%0.46152%0.516SS..  trans-66.1136.7175.2-160-179-162.7-167.30107.6Y5 L23 E26K3-Y5 HydrophobicContact CD-CE1 4.27Å; K3-Y5 WeakPolarHBondContact CD-OH 3.2Å; K3-Y5 WeakPolarHBondContact CE-OH 3.42Å; K3-Y5 HydrophobicContact CG-CE1 4.13Å; K3-Y5 PolarHBondContact NZ-OH 3.43Å; K3-L23 HydrophobicContact CB-CD1 3.77Å; K3-L23 HydrophobicContact CD-CD1 4.19Å; K3-L23 HydrophobicContact CG-CD1 4.04Å; K3-L23 WeakPolarHBondContact O-CD1 3.4Å; K3-E26 IonicContact NZ-OE1 2.67Å; K3-E26 PolarHBondContact NZ-OE1 3.07Å; K3-E26 VanDerWaalsContact NZ-OE1 3.12Å; K3-E26 IonicContact NZ-OE2 3.34Å; K3-E26 PolarHBondContact NZ-OE2 3.12Å
4R81.2Confident75.3Confident179 Ų17992.6 Ų92.668%0.67550%0.496SS*.  trans-146.3132175.6-172.8174.2-175.1170.72.2108.9V6R4-V6 HydrophobicContact CG-CG2 4.28Å
5Y85.8Confident76.5Confident2 Ų286.5 Ų86.51%0.00846%0.464CS..  trans-96.6111.4172-55.9-44.9000108.1K3 P7 L19 V22 L23 E26 P76 Y90K3-Y5 HydrophobicContact CD-CE1 4.27Å; K3-Y5 WeakPolarHBondContact CD-OH 3.2Å; K3-Y5 WeakPolarHBondContact CE-OH 3.42Å; K3-Y5 HydrophobicContact CG-CE1 4.13Å; K3-Y5 PolarHBondContact NZ-OH 3.43Å; Y5-P7 WeakPolarHBondContact O-CD 3.37Å; Y5-L19 WeakPolarHBondContact CD2-O 3.15Å; Y5-V22 HydrophobicContact CE2-CG1 4.39Å; Y5-L23 HydrophobicContact CD2-CB 3.76Å; Y5-L23 HydrophobicContact CD2-CD1 4.41Å; Y5-L23 HydrophobicContact CE2-CB 3.76Å; Y5-L23 HydrophobicContact CE2-CD1 4.02Å; Y5-L23 HydrophobicContact CE2-CG 4.46Å; Y5-E26 VanDerWaalsContact OH-CD 3.22Å; Y5-E26 PolarHBondContact OH-OE1 3.03Å; Y5-E26 VanDerWaalsContact OH-OE1 3.11Å; Y5-E26 PolarHBondContact OH-OE2 3.45Å; Y5-P76 HydrophobicContact CD1-CG 4.22Å; Y5-P76 HydrophobicContact CD2-CB 4.16Å; Y5-P76 HydrophobicContact CD2-CG 4Å; Y5-P76 HydrophobicContact CE1-CG 3.6Å; Y5-P76 HydrophobicContact CE2-CB 3.91Å; Y5-P76 HydrophobicContact CE2-CG 3.36Å; Y5-P76 HydrophobicContact CG-CG 4.38Å; Y5-P76 WeakPolarHBondContact OH-CG 3.48Å; Y5-Y90 AromaticContact CD1-CD2 3.4Å; Y5-Y90 HydrophobicContact CD1-CD2 3.4Å; Y5-Y90 HydrophobicContact CD1-CE1 4.5Å; Y5-Y90 AromaticContact CD1-CE2 3.26Å; Y5-Y90 HydrophobicContact CD1-CE2 3.26Å; Y5-Y90 HydrophobicContact CD1-CG 4.08Å; Y5-Y90 AromaticContact CD1-CZ 3.87Å; Y5-Y90 HydrophobicContact CE1-CD2 4.19Å; Y5-Y90 AromaticContact CE1-CE2 3.58Å; Y5-Y90 HydrophobicContact CE1-CE2 3.58Å; Y5-Y90 AromaticContact CE1-CZ 3.89Å; Y5-Y90 HydrophobicContact CG-CD2 4.07Å; Y5-Y90 HydrophobicContact CG-CE2 4.26Å; Y5-Y90 HydrophobicContact CG-CG 4.35Å
6V83.3Confident77.4Confident69 Ų6986.9 Ų86.942%0.41846%0.462SS..EExtended strand (participates in β ladder)trans-95.8109173.4-178.70000106.9R4 S8 Y90 N91R4-V6 HydrophobicContact CG-CG2 4.28Å; V6-S8 PolarHBondContact O-N 3.47Å; V6-Y90 CarbonylContact O-C 3.51Å; V6-Y90 VanDerWaalsContact O-CA 3.32Å; V6-Y90 WeakPolarHBondContact O-CA 3.33Å; V6-N91 PolarHBondContact N-O 3.35Å; V6-N91 VanDerWaalsContact N-O 3.09Å; V6-N91 PolarHBondContact O-N 3.05Å
7P81.1Confident78.4Confident30 Ų3082.2 Ų82.220%0.19544%0.437CS..EExtended strand (participates in β ladder)trans-59.1141.9-178.4-28.141.9000111.2Y5 S11 E16 L19Y5-P7 WeakPolarHBondContact O-CD 3.37Å; P7-S11 WeakPolarHBondContact CB-OG 3.22Å; P7-E16 HydrophobicContact CB-CG 4.23Å; P7-E16 HydrophobicContact CG-CB 4.47Å; P7-E16 HydrophobicContact CG-CG 3.75Å; P7-L19 HydrophobicContact CB-CD1 4.18Å; P7-L19 HydrophobicContact CG-CD1 3.81Å
8S82.2Confident79.3Confident28 Ų2877.7 Ų77.720%0.19641%0.413CS..  trans-64.7160.7179.871.50000111.4V6 N10 S11 P89V6-S8 PolarHBondContact O-N 3.47Å; S8-N10 PolarHBondContact O-N 2.56Å; S8-S11 PolarHBondContact O-N 2.95Å; S8-S11 PolarHBondContact O-OG 3.05Å; S8-S11 VanDerWaalsContact O-OG 3.11Å; S8-P89 PolarHBondContact N-O 2.69Å; S8-P89 WeakPolarHBondContact OG-CG 3.22Å; S8-P89 PolarHBondContact OG-O 2.86Å
9Q61.7Low80.1Confident197 Ų19773.6 Ų73.692%0.92139%0.391SS*.THydrogen-bonded Turntrans-57.27.8-170.8-79.7-171.2-7.500117.8
10N64.9Low80.8Confident158 Ų15872.1 Ų72.185%0.84538%0.383SS*.THydrogen-bonded Turntrans-136.114.4175.5-64.8-53.7000114S8S8-N10 PolarHBondContact O-N 2.56Å
11S69.4Low81.5Confident26 Ų2668.7 Ų68.718%0.18237%0.365CS..  trans-71.2139.8173.255.20000110.9P7 S8P7-S11 WeakPolarHBondContact CB-OG 3.22Å; S8-S11 PolarHBondContact O-N 2.95Å; S8-S11 PolarHBondContact O-OG 3.05Å; S8-S11 VanDerWaalsContact O-OG 3.11Å
12D83.8Confident83.8Confident67 Ų6757.1 Ų57.136%0.35831%0.308SS..  trans-87.1171.917062.30.8000111.3T14 C15 E16 K86D12-T14 PolarHBondContact O-N 3.48Å; D12-T14 VanDerWaalsContact O-N 3.1Å; D12-C15 WeakPolarHBondContact O-CB 3.14Å; D12-C15 PolarHBondContact O-N 2.71Å; D12-C15 PolarHBondContact OD1-N 3.38Å; D12-E16 PolarHBondContact O-N 3.22Å; D12-E16 VanDerWaalsContact O-N 3.12Å; D12-K86 IonicContact OD1-NZ 3.37Å; D12-K86 PolarHBondContact OD1-NZ 3.29Å; D12-K86 IonicContact OD2-NZ 2.96Å; D12-K86 PolarHBondContact OD2-NZ 3.04Å
13A86Confident85.3Confident49 Ų4953.5 Ų53.541%0.40527%0.274SS..Hα-helixtrans-55.4-29.3-179.500000113.3E16 I17A13-E16 PolarHBondContact O-N 3.35Å; A13-I17 WeakPolarHBondContact O-CB 3.38Å; A13-I17 WeakPolarHBondContact O-CD1 3.25Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 2.95Å
14T90.4Very high86.2Confident40 Ų4049.7 Ų49.725%0.24526%0.259CS..Hα-helixtrans-67.7-40.3176.6-49.20000111.5D12 C18 L56 I84D12-T14 PolarHBondContact O-N 3.48Å; D12-T14 VanDerWaalsContact O-N 3.1Å; T14-C18 WeakPolarHBondContact O-CB 2.97Å; T14-C18 PolarHBondContact O-N 3.32Å; T14-L56 HydrophobicContact CG2-CD2 4.09Å; T14-I84 HydrophobicContact CG2-CB 4.34Å; T14-I84 HydrophobicContact CG2-CD1 3.69Å; T14-I84 HydrophobicContact CG2-CG2 4.25Å
15C92.1Very high86.8Confident1 Ų141.2 Ų41.21%0.00723%0.227CC..Hα-helixtrans-66.6-40.8172.7-82.50000112.4D12 C18 L19 C88D12-C15 WeakPolarHBondContact O-CB 3.14Å; D12-C15 PolarHBondContact O-N 2.71Å; D12-C15 PolarHBondContact OD1-N 3.38Å; C15-C18 PolarHBondContact O-N 2.85Å; C15-L19 WeakPolarHBondContact O-CB 3.36Å; C15-L19 WeakPolarHBondContact O-CD1 3.41Å; C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.49Å; C15-C88 WeakPolarHBondContact CA-SG 3.41Å; C15-C88 HydrophobicContact CB-CB 3.65Å; C15-C88 WeakPolarHBondContact CB-SG 3.34Å; C15-C88 WeakPolarHBondContact SG-CA 3.47Å; C15-C88 WeakPolarHBondContact SG-CB 3.48Å; C15-C88 CovalentContact SG-SG 2.05Å; C15-C88 PolarHBondContact SG-SG 3.23Å
16E91.3Very high87.2Confident93 Ų9342.5 Ų42.544%0.43523%0.233SC..Hα-helixtrans-56.7-52.5174.5-77.8167.3-164.400111P7 D12 A13 C18 L19 D20P7-E16 HydrophobicContact CB-CG 4.23Å; P7-E16 HydrophobicContact CG-CB 4.47Å; P7-E16 HydrophobicContact CG-CG 3.75Å; D12-E16 PolarHBondContact O-N 3.22Å; D12-E16 VanDerWaalsContact O-N 3.12Å; A13-E16 PolarHBondContact O-N 3.35Å; E16-C18 PolarHBondContact O-N 3.06Å; E16-L19 PolarHBondContact O-N 3.35Å; E16-D20 WeakPolarHBondContact O-CB 3.02Å; E16-D20 PolarHBondContact O-N 2.8Å
17I94.3Very high87.6Confident8 Ų843.5 Ų43.54%0.04124%0.239CC..Hα-helixtrans-59.5-49.3179.2-70.7165.4000111.1A13 L19 D20 L21 V48 C57 L60A13-I17 WeakPolarHBondContact O-CB 3.38Å; A13-I17 WeakPolarHBondContact O-CD1 3.25Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 2.95Å; I17-L19 PolarHBondContact O-N 3.34Å; I17-D20 PolarHBondContact O-N 2.96Å; I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.31Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.37Å; I17-V48 HydrophobicContact CD1-CG1 4.36Å; I17-V48 HydrophobicContact CD1-CG2 4.42Å; I17-V48 HydrophobicContact CG1-CG2 4.28Å; I17-C57 HydrophobicContact CG2-CB 3.75Å; I17-L60 HydrophobicContact CG2-CD1 4.25Å
18C95.3Very high88.1Confident0 Ų045.8 Ų45.80%025%0.245CC..Hα-helixtrans-61.7-45.5-177.8178.80000111.9T14 C15 E16 D20 L21 V22 I64 C80 I84T14-C18 WeakPolarHBondContact O-CB 2.97Å; T14-C18 PolarHBondContact O-N 3.32Å; C15-C18 PolarHBondContact O-N 2.85Å; E16-C18 PolarHBondContact O-N 3.06Å; C18-D20 PolarHBondContact O-N 2.93Å; C18-L21 PolarHBondContact O-N 2.9Å; C18-V22 VanDerWaalsContact O-CG2 3.32Å; C18-V22 WeakPolarHBondContact O-CG2 3.39Å; C18-V22 PolarHBondContact O-N 3.33Å; C18-I64 HydrophobicContact CB-CD1 4.44Å; C18-C80 VanDerWaalsContact C-SG 3.55Å; C18-C80 HydrophobicContact CB-CB 4.06Å; C18-C80 WeakPolarHBondContact CB-SG 3.36Å; C18-C80 WeakPolarHBondContact SG-CA 3.48Å; C18-C80 WeakPolarHBondContact SG-CB 3.32Å; C18-C80 CovalentContact SG-SG 2.04Å; C18-C80 PolarHBondContact SG-SG 3.43Å; C18-I84 HydrophobicContact CB-CD1 3.9Å
19L94.3Very high88.4Confident0 Ų046.2 Ų46.20%025%0.25CS..Hα-helixtrans-64.3-40.8179.7-71169.5000111.7Y5 P7 C15 E16 I17 V22 L23 P76 C88 Y90Y5-L19 WeakPolarHBondContact CD2-O 3.15Å; P7-L19 HydrophobicContact CB-CD1 4.18Å; P7-L19 HydrophobicContact CG-CD1 3.81Å; C15-L19 WeakPolarHBondContact O-CB 3.36Å; C15-L19 WeakPolarHBondContact O-CD1 3.41Å; C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.49Å; E16-L19 PolarHBondContact O-N 3.35Å; I17-L19 PolarHBondContact O-N 3.34Å; L19-V22 PolarHBondContact O-N 3.38Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 2.61Å; L19-P76 HydrophobicContact CD2-CB 3.53Å; L19-C88 HydrophobicContact CD1-CB 4.02Å; L19-C88 HydrophobicContact CD2-CB 4.32Å; L19-C88 HydrophobicContact CG-CB 4.12Å; L19-Y90 HydrophobicContact CD2-CD1 3.91Å; L19-Y90 HydrophobicContact CD2-CG 4.48Å
20D94.8Very high89.6Confident44 Ų4446.4 Ų46.424%0.23525%0.251CS..Hα-helixtrans-65.3-40.9176.2-79-15.5000111.8E16 I17 C18 L23 I24 Y43E16-D20 WeakPolarHBondContact O-CB 3.02Å; E16-D20 PolarHBondContact O-N 2.8Å; I17-D20 PolarHBondContact O-N 2.96Å; C18-D20 PolarHBondContact O-N 2.93Å; D20-L23 WeakPolarHBondContact O-CB 3.08Å; D20-L23 PolarHBondContact O-N 3.21Å; D20-I24 VanDerWaalsContact O-CG1 3.3Å; D20-I24 WeakPolarHBondContact O-CG1 3Å; D20-I24 PolarHBondContact O-N 3.5Å; D20-Y43 HydrophobicContact CB-CE1 4.06Å; D20-Y43 HydrophobicContact CB-CE2 3.81Å; D20-Y43 VanDerWaalsContact CB-CZ 3.47Å; D20-Y43 WeakPolarHBondContact CB-OH 3.48Å; D20-Y43 PolarHBondContact OD2-OH 3.35Å
21L95.7Very high90.8Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-64.5-41.2175.2-73.1-176000112.3I17 C18 L23 I24 A25 M40 Y43 L60 I61 I64I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.31Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.37Å; C18-L21 PolarHBondContact O-N 2.9Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-I24 HydrophobicContact CD2-CD1 4.44Å; L21-I24 PolarHBondContact O-N 3.32Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.95Å; L21-M40 HydrophobicContact CB-CE 3.78Å; L21-M40 HydrophobicContact CD1-CE 4.43Å; L21-M40 HydrophobicContact CD2-CB 3.79Å; L21-M40 HydrophobicContact CD2-CE 4.11Å; L21-M40 HydrophobicContact CD2-CG 4.06Å; L21-M40 HydrophobicContact CG-CE 4.32Å; L21-Y43 HydrophobicContact CD2-CD1 3.81Å; L21-Y43 HydrophobicContact CD2-CE1 4.39Å; L21-L60 HydrophobicContact CD1-CB 4.01Å; L21-I61 HydrophobicContact CD1-CG1 4.49Å; L21-I64 HydrophobicContact CB-CD1 3.63Å; L21-I64 HydrophobicContact CB-CG2 4.35Å; L21-I64 HydrophobicContact CD1-CD1 3.86Å; L21-I64 HydrophobicContact CG-CD1 4.42Å
22V95Very high91.7Very high0 Ų046 Ų460%025%0.25CS..Hα-helixtrans-61.6-43.8173.5172.10000110.8Y5 C18 L19 I24 A25 E26 I64 V68 P76 V79Y5-V22 HydrophobicContact CE2-CG1 4.39Å; C18-V22 VanDerWaalsContact O-CG2 3.32Å; C18-V22 WeakPolarHBondContact O-CG2 3.39Å; C18-V22 PolarHBondContact O-N 3.33Å; L19-V22 PolarHBondContact O-N 3.38Å; V22-I24 VanDerWaalsContact C-N 3.29Å; V22-I24 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 2.93Å; V22-E26 HydrophobicContact CG1-CG 4.16Å; V22-E26 WeakPolarHBondContact O-CB 3.44Å; V22-E26 WeakPolarHBondContact O-CG 3.27Å; V22-E26 PolarHBondContact O-N 2.04Å; V22-I64 HydrophobicContact CB-CG2 4.48Å; V22-I64 HydrophobicContact CG2-CG2 3.8Å; V22-V68 HydrophobicContact CG1-CG2 4.14Å; V22-P76 HydrophobicContact CB-CB 4.39Å; V22-P76 HydrophobicContact CG1-CB 3.86Å; V22-P76 HydrophobicContact CG1-CG 4.11Å; V22-V79 HydrophobicContact CG2-CB 3.89Å; V22-V79 HydrophobicContact CG2-CG1 3.58Å
23L94Very high91.9Very high26 Ų2646.2 Ų46.214%0.13625%0.249CC..Hα-helixtrans-59.3-42.4177.7177.761.7000111.6K3 Y5 L19 D20 L21 T27K3-L23 HydrophobicContact CB-CD1 3.77Å; K3-L23 HydrophobicContact CD-CD1 4.19Å; K3-L23 HydrophobicContact CG-CD1 4.04Å; K3-L23 WeakPolarHBondContact O-CD1 3.4Å; Y5-L23 HydrophobicContact CD2-CB 3.76Å; Y5-L23 HydrophobicContact CD2-CD1 4.41Å; Y5-L23 HydrophobicContact CE2-CB 3.76Å; Y5-L23 HydrophobicContact CE2-CD1 4.02Å; Y5-L23 HydrophobicContact CE2-CG 4.46Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 2.61Å; D20-L23 WeakPolarHBondContact O-CB 3.08Å; D20-L23 PolarHBondContact O-N 3.21Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-T27 WeakPolarHBondContact O-CB 3.34Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 2.89Å
24I94.6Very high92.2Very high27 Ų2747.4 Ų47.414%0.13826%0.259CS..Hα-helixtrans-63.9-47.8175.9-66.4162.5000109.8D20 L21 V22 E26 T27 Y28 H39 M40 Y43D20-I24 VanDerWaalsContact O-CG1 3.3Å; D20-I24 WeakPolarHBondContact O-CG1 3Å; D20-I24 PolarHBondContact O-N 3.5Å; L21-I24 HydrophobicContact CD2-CD1 4.44Å; L21-I24 PolarHBondContact O-N 3.32Å; V22-I24 VanDerWaalsContact C-N 3.29Å; V22-I24 PolarHBondContact O-N 3.35Å; I24-E26 VanDerWaalsContact C-N 3.34Å; I24-E26 PolarHBondContact O-N 3.3Å; I24-T27 WeakPolarHBondContact O-CB 3.37Å; I24-T27 PolarHBondContact O-N 3.18Å; I24-T27 VanDerWaalsContact O-N 3.12Å; I24-Y28 HydrophobicContact CG2-CD2 4.03Å; I24-Y28 HydrophobicContact CG2-CE2 4.3Å; I24-Y28 WeakPolarHBondContact O-CD2 3.38Å; I24-Y28 PolarHBondContact O-N 3.36Å; I24-Y28 VanDerWaalsContact O-N 3.12Å; I24-H39 HydrophobicContact CG2-CB 3.75Å; I24-M40 HydrophobicContact CB-CG 4.15Å; I24-M40 HydrophobicContact CG2-CG 3.66Å; I24-Y43 HydrophobicContact CD1-CD1 4.21Å; I24-Y43 HydrophobicContact CD1-CD2 3.84Å; I24-Y43 HydrophobicContact CD1-CG 3.54Å
25A93.9Very high92.3Very high0 Ų049.1 Ų49.10%027%0.266CS..Hα-helixtrans-57.5-46.317900000112.1L21 V22 T27 Y28 A29 V36 M40 I64 V68L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.95Å; V22-A25 PolarHBondContact O-N 2.93Å; A25-T27 PolarHBondContact O-N 3.21Å; A25-Y28 CarbonylContact O-C 3.46Å; A25-Y28 PolarHBondContact O-N 2.05Å; A25-A29 WeakPolarHBondContact O-CA 3.5Å; A25-A29 WeakPolarHBondContact O-CB 3.25Å; A25-A29 PolarHBondContact O-N 2.99Å; A25-V36 HydrophobicContact CB-CG1 4.05Å; A25-M40 HydrophobicContact CB-CE 4.49Å; A25-M40 HydrophobicContact CB-SD 4.23Å; A25-I64 HydrophobicContact CB-CG2 4.22Å; A25-V68 HydrophobicContact CB-CB 3.91Å; A25-V68 HydrophobicContact CB-CG1 3.93Å; A25-V68 HydrophobicContact CB-CG2 3.96Å
26E92.3Very high92.4Very high29 Ų2949.1 Ų49.114%0.13627%0.266CS..Hα-helixtrans-64.2-38.3175.8-71178.1153.600112.8K3 Y5 V22 I24 Y28 A29 V68K3-E26 IonicContact NZ-OE1 2.67Å; K3-E26 PolarHBondContact NZ-OE1 3.07Å; K3-E26 VanDerWaalsContact NZ-OE1 3.12Å; K3-E26 IonicContact NZ-OE2 3.34Å; K3-E26 PolarHBondContact NZ-OE2 3.12Å; Y5-E26 VanDerWaalsContact OH-CD 3.22Å; Y5-E26 PolarHBondContact OH-OE1 3.03Å; Y5-E26 VanDerWaalsContact OH-OE1 3.11Å; Y5-E26 PolarHBondContact OH-OE2 3.45Å; V22-E26 HydrophobicContact CG1-CG 4.16Å; V22-E26 WeakPolarHBondContact O-CB 3.44Å; V22-E26 WeakPolarHBondContact O-CG 3.27Å; V22-E26 PolarHBondContact O-N 2.04Å; I24-E26 VanDerWaalsContact C-N 3.34Å; I24-E26 PolarHBondContact O-N 3.3Å; E26-Y28 PolarHBondContact O-N 3.02Å; E26-A29 PolarHBondContact O-N 3.33Å; E26-V68 HydrophobicContact CG-CG1 3.89Å
27T92.1Very high92.6Very high90 Ų9047.2 Ų47.255%0.55226%0.257SS*.Hα-helixtrans-63.1-33.5-179.9-62.20000111.6L23 I24 A25L23-T27 WeakPolarHBondContact O-CB 3.34Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 2.89Å; I24-T27 WeakPolarHBondContact O-CB 3.37Å; I24-T27 PolarHBondContact O-N 3.18Å; I24-T27 VanDerWaalsContact O-N 3.12Å; A25-T27 PolarHBondContact O-N 3.21Å
28Y91.4Very high92.8Very high79 Ų7952.8 Ų52.831%0.3128%0.282SS..THydrogen-bonded Turntrans-111.314.8-178.7-62.9-79.8000113I24 A25 E26 E30 C31 V36 H39I24-Y28 HydrophobicContact CG2-CD2 4.03Å; I24-Y28 HydrophobicContact CG2-CE2 4.3Å; I24-Y28 WeakPolarHBondContact O-CD2 3.38Å; I24-Y28 PolarHBondContact O-N 3.36Å; I24-Y28 VanDerWaalsContact O-N 3.12Å; A25-Y28 CarbonylContact O-C 3.46Å; A25-Y28 PolarHBondContact O-N 2.05Å; E26-Y28 PolarHBondContact O-N 3.02Å; Y28-E30 PolarHBondContact O-N 2.68Å; Y28-C31 WeakPolarHBondContact O-CA 3.42Å; Y28-C31 VanDerWaalsContact O-CB 3.22Å; Y28-C31 WeakPolarHBondContact O-CB 3.37Å; Y28-C31 PolarHBondContact O-N 2.84Å; Y28-V36 WeakPolarHBondContact O-CG2 3.47Å; Y28-H39 AromaticContact CD1-CD2 3.89Å; Y28-H39 HydrophobicContact CD2-CB 4.11Å; Y28-H39 AromaticContact CD2-CD2 3.95Å; Y28-H39 AromaticContact CE1-CD2 3.74Å; Y28-H39 AromaticContact CE1-NE2 3.62Å; Y28-H39 HydrophobicContact CE2-CB 3.99Å; Y28-H39 AromaticContact CE2-CD2 3.81Å; Y28-H39 AromaticContact CE2-CG 3.71Å; Y28-H39 AromaticContact CZ-CD2 3.7Å; Y28-H39 AromaticContact CZ-CE1 3.87Å; Y28-H39 AromaticContact CZ-CG 3.87Å; Y28-H39 AromaticContact CZ-ND1 3.97Å; Y28-H39 AromaticContact CZ-NE2 3.71Å
29A88.3Confident92.9Very high37 Ų3755.8 Ų55.831%0.30630%0.296SS..THydrogen-bonded Turntrans-61.7-19.2-174.300000114.2A25 E26 C31A25-A29 WeakPolarHBondContact O-CA 3.5Å; A25-A29 WeakPolarHBondContact O-CB 3.25Å; A25-A29 PolarHBondContact O-N 2.99Å; E26-A29 PolarHBondContact O-N 3.33Å; A29-C31 VanDerWaalsContact C-N 3.32Å
30E88.3Confident93Very high200 Ų20055.8 Ų55.894%0.93530%0.296SS*.THydrogen-bonded Turntrans-83.7-6.2174.2-60.7-176.1170.800113.4Y28Y28-E30 PolarHBondContact O-N 2.68Å
31C89.4Confident93.2Very high53 Ų5356.3 Ų56.336%0.35830%0.299SS..SBendtrans-94165.8177.5-60.80000111.2Y28 A29 I35 V36Y28-C31 WeakPolarHBondContact O-CA 3.42Å; Y28-C31 VanDerWaalsContact O-CB 3.22Å; Y28-C31 WeakPolarHBondContact O-CB 3.37Å; Y28-C31 PolarHBondContact O-N 2.84Å; A29-C31 VanDerWaalsContact C-N 3.32Å; C31-I35 HydrophobicContact CB-CB 4.14Å; C31-I35 HydrophobicContact CB-CD1 4.4Å; C31-I35 HydrophobicContact CB-CG2 4.11Å; C31-V36 HydrophobicContact CB-CG2 4.46Å
32D88.8Confident93.3Very high124 Ų12457.5 Ų57.566%0.66331%0.309SS*.  trans-58.3142.2170.6-70.8-32.9000110.7A34 I35 V36D32-A34 PolarHBondContact O-N 3.2Å; D32-A34 VanDerWaalsContact O-N 3.11Å; D32-I35 HydrophobicContact CB-CD1 4.34Å; D32-I35 HydrophobicContact CB-CG1 4.42Å; D32-I35 WeakPolarHBondContact O-CA 3.04Å; D32-I35 WeakPolarHBondContact O-CB 3.27Å; D32-I35 PolarHBondContact O-N 3.42Å; D32-V36 PolarHBondContact O-N 3.05Å
33E88Confident93.3Very high70 Ų7059.2 Ų59.233%0.32732%0.316SS..Hα-helixtrans-51.5-39.6-178.7-178.2178.1-171.400112.7I35 V36 Q37 I69E33-I35 VanDerWaalsContact C-N 3.25Å; E33-I35 PolarHBondContact O-N 3.39Å; E33-V36 WeakPolarHBondContact O-CB 3.37Å; E33-V36 PolarHBondContact O-N 3.24Å; E33-V36 VanDerWaalsContact O-N 3.09Å; E33-Q37 HydrophobicContact CG-CG 4.18Å; E33-Q37 WeakPolarHBondContact O-CG 3.24Å; E33-Q37 PolarHBondContact O-N 3.19Å; E33-Q37 PolarHBondContact OE1-NE2 3.37Å; E33-I69 HydrophobicContact CB-CD1 4.07Å; E33-I69 HydrophobicContact CG-CD1 4Å
34A92Very high93.4Very high74 Ų7458 Ų5861%0.61231%0.309SS*.Hα-helixtrans-60.3-33.4177.300000113.2D32 H38D32-A34 PolarHBondContact O-N 3.2Å; D32-A34 VanDerWaalsContact O-N 3.11Å; A34-H38 WeakPolarHBondContact O-CB 3.46Å; A34-H38 PolarHBondContact O-N 3.05Å; A34-H38 VanDerWaalsContact O-N 3.1Å
35I93.1Very high93.6Very high77 Ų7760 Ų6040%0.39532%0.322SS..Hα-helixtrans-72.2-42.2175.9-62.5174.6000109.7C31 D32 E33 H38 H39C31-I35 HydrophobicContact CB-CB 4.14Å; C31-I35 HydrophobicContact CB-CD1 4.4Å; C31-I35 HydrophobicContact CB-CG2 4.11Å; D32-I35 HydrophobicContact CB-CD1 4.34Å; D32-I35 HydrophobicContact CB-CG1 4.42Å; D32-I35 WeakPolarHBondContact O-CA 3.04Å; D32-I35 WeakPolarHBondContact O-CB 3.27Å; D32-I35 PolarHBondContact O-N 3.42Å; E33-I35 VanDerWaalsContact C-N 3.25Å; E33-I35 PolarHBondContact O-N 3.39Å; I35-H38 WeakPolarHBondContact O-CB 3.44Å; I35-H38 PolarHBondContact O-N 3.3Å; I35-H39 PolarHBondContact O-CD2 2.92Å; I35-H39 VanDerWaalsContact O-CD2 3.27Å; I35-H39 PolarHBondContact O-N 3.48Å; I35-H39 VanDerWaalsContact O-N 3.15Å
36V94.2Very high93.7Very high0 Ų065.7 Ų65.70%035%0.349CS..Hα-helixtrans-59.4-52.8176.8-176.20000110.8A25 Y28 C31 D32 E33 H38 H39 M40 I69A25-V36 HydrophobicContact CB-CG1 4.05Å; Y28-V36 WeakPolarHBondContact O-CG2 3.47Å; C31-V36 HydrophobicContact CB-CG2 4.46Å; D32-V36 PolarHBondContact O-N 3.05Å; E33-V36 WeakPolarHBondContact O-CB 3.37Å; E33-V36 PolarHBondContact O-N 3.24Å; E33-V36 VanDerWaalsContact O-N 3.09Å; V36-H38 VanDerWaalsContact C-N 3.26Å; V36-H38 PolarHBondContact O-N 3.3Å; V36-H39 PolarHBondContact O-N 3.35Å; V36-H39 VanDerWaalsContact O-N 3.12Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CG 3.25Å; V36-M40 PolarHBondContact O-N 3.42Å; V36-I69 HydrophobicContact CB-CD1 4.2Å; V36-I69 HydrophobicContact CG1-CD1 4.33Å; V36-I69 HydrophobicContact CG2-CD1 3.97Å
37Q95.9Very high93.7Very high53 Ų5370.2 Ų70.225%0.24837%0.37CS..Hα-helixtrans-60.5-35.6179-67.2-172.1-6.600111.8E33 M40 D41 I61 D62 A65E33-Q37 HydrophobicContact CG-CG 4.18Å; E33-Q37 WeakPolarHBondContact O-CG 3.24Å; E33-Q37 PolarHBondContact O-N 3.19Å; E33-Q37 PolarHBondContact OE1-NE2 3.37Å; Q37-M40 PolarHBondContact O-N 3.04Å; Q37-D41 PolarHBondContact O-N 2.98Å; Q37-I61 HydrophobicContact CB-CG2 3.85Å; Q37-I61 HydrophobicContact CG-CG2 3.82Å; Q37-D62 PolarHBondContact NE2-OD1 3.09Å; Q37-A65 HydrophobicContact CG-CB 3.96Å
38H97Very high93.8Very high125 Ų12566.6 Ų66.658%0.57935%0.348SS*.Hα-helixtrans-61.3-45.1174.5179.567.6000112.5A34 I35 V36 M40 D41 A42A34-H38 WeakPolarHBondContact O-CB 3.46Å; A34-H38 PolarHBondContact O-N 3.05Å; A34-H38 VanDerWaalsContact O-N 3.1Å; I35-H38 WeakPolarHBondContact O-CB 3.44Å; I35-H38 PolarHBondContact O-N 3.3Å; V36-H38 VanDerWaalsContact C-N 3.26Å; V36-H38 PolarHBondContact O-N 3.3Å; H38-M40 VanDerWaalsContact C-N 3.34Å; H38-D41 PolarHBondContact O-N 3.46Å; H38-A42 WeakPolarHBondContact O-CB 3.21Å; H38-A42 PolarHBondContact O-N 2.87Å
39H97.3Very high93.8Very high63 Ų6370.6 Ų70.629%0.29237%0.367SS..Hα-helixtrans-66.5-36.3177.1-78.3-65.8000112.6I24 Y28 I35 V36 Y43I24-H39 HydrophobicContact CG2-CB 3.75Å; Y28-H39 AromaticContact CD1-CD2 3.89Å; Y28-H39 HydrophobicContact CD2-CB 4.11Å; Y28-H39 AromaticContact CD2-CD2 3.95Å; Y28-H39 AromaticContact CE1-CD2 3.74Å; Y28-H39 AromaticContact CE1-NE2 3.62Å; Y28-H39 HydrophobicContact CE2-CB 3.99Å; Y28-H39 AromaticContact CE2-CD2 3.81Å; Y28-H39 AromaticContact CE2-CG 3.71Å; Y28-H39 AromaticContact CZ-CD2 3.7Å; Y28-H39 AromaticContact CZ-CE1 3.87Å; Y28-H39 AromaticContact CZ-CG 3.87Å; Y28-H39 AromaticContact CZ-ND1 3.97Å; Y28-H39 AromaticContact CZ-NE2 3.71Å; I35-H39 PolarHBondContact O-CD2 2.92Å; I35-H39 VanDerWaalsContact O-CD2 3.27Å; I35-H39 PolarHBondContact O-N 3.48Å; I35-H39 VanDerWaalsContact O-N 3.15Å; V36-H39 PolarHBondContact O-N 3.35Å; V36-H39 VanDerWaalsContact O-N 3.12Å; H39-Y43 PolarHBondContact O-N 3.41Å
40M97.3Very high94Very high0 Ų073.3 Ų73.30%038%0.376CS..Hα-helixtrans-65.1-43.1174.3-68170.582.600111.7L21 I24 A25 V36 Q37 H38 Y43 C44 I61 I64 A65L21-M40 HydrophobicContact CB-CE 3.78Å; L21-M40 HydrophobicContact CD1-CE 4.43Å; L21-M40 HydrophobicContact CD2-CB 3.79Å; L21-M40 HydrophobicContact CD2-CE 4.11Å; L21-M40 HydrophobicContact CD2-CG 4.06Å; L21-M40 HydrophobicContact CG-CE 4.32Å; I24-M40 HydrophobicContact CB-CG 4.15Å; I24-M40 HydrophobicContact CG2-CG 3.66Å; A25-M40 HydrophobicContact CB-CE 4.49Å; A25-M40 HydrophobicContact CB-SD 4.23Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CG 3.25Å; V36-M40 PolarHBondContact O-N 3.42Å; Q37-M40 PolarHBondContact O-N 3.04Å; H38-M40 VanDerWaalsContact C-N 3.34Å; M40-Y43 WeakPolarHBondContact O-CB 3.33Å; M40-Y43 PolarHBondContact O-N 2.96Å; M40-C44 PolarHBondContact O-N 2.98Å; M40-C44 PolarHBondContact O-SG 3.3Å; M40-I61 HydrophobicContact CB-CD1 4.05Å; M40-I61 HydrophobicContact CB-CG1 3.96Å; M40-I61 HydrophobicContact CB-CG2 3.94Å; M40-I61 HydrophobicContact CE-CB 4.38Å; M40-I61 HydrophobicContact CE-CG1 4.5Å; M40-I61 HydrophobicContact CE-CG2 4.2Å; M40-I61 HydrophobicContact SD-CG2 4Å; M40-I64 HydrophobicContact CE-CB 3.73Å; M40-I64 HydrophobicContact CE-CG2 3.56Å; M40-A65 HydrophobicContact SD-CB 4.22Å
41D97.8Very high94.2Very high56 Ų5671.1 Ų71.130%0.29937%0.366SS..Hα-helixtrans-64.3-42.7176.9-170.667.9000111.7Q37 H38 Y43 C44 V45 K58 I61Q37-D41 PolarHBondContact O-N 2.98Å; H38-D41 PolarHBondContact O-N 3.46Å; D41-Y43 VanDerWaalsContact C-N 3.32Å; D41-Y43 PolarHBondContact O-N 3.46Å; D41-C44 WeakPolarHBondContact O-CB 3.34Å; D41-C44 PolarHBondContact O-N 2.97Å; D41-C44 VanDerWaalsContact O-N 3.16Å; D41-V45 WeakPolarHBondContact O-CG2 3.36Å; D41-V45 PolarHBondContact O-N 2.98Å; D41-K58 WeakPolarHBondContact OD1-CE 3.37Å; D41-K58 IonicContact OD1-NZ 3.32Å; D41-K58 PolarHBondContact OD1-NZ 3.01Å; D41-K58 IonicContact OD2-NZ 2.85Å; D41-K58 PolarHBondContact OD2-NZ 3.32Å; D41-I61 HydrophobicContact CB-CD1 3.96Å
42A97.8Very high94.3Very high24 Ų2472.1 Ų72.120%0.19838%0.377CS..Hα-helixtrans-57.6-45.8174.800000111.2H38 C44 V45 E46H38-A42 WeakPolarHBondContact O-CB 3.21Å; H38-A42 PolarHBondContact O-N 2.87Å; A42-C44 PolarHBondContact O-N 2.89Å; A42-V45 PolarHBondContact O-N 3.41Å; A42-V45 VanDerWaalsContact O-N 3.17Å; A42-E46 WeakPolarHBondContact O-CB 3.32Å; A42-E46 WeakPolarHBondContact O-CG 3.21Å; A42-E46 PolarHBondContact O-N 3.1Å
43Y96.3Very high94.5Very high37 Ų3767.9 Ų67.915%0.14536%0.357CS..Hα-helixtrans-56.9-47.8174.4167.3-88.4000111.9D20 L21 I24 H39 M40 D41 V45 E46 H47 V48D20-Y43 HydrophobicContact CB-CE1 4.06Å; D20-Y43 HydrophobicContact CB-CE2 3.81Å; D20-Y43 VanDerWaalsContact CB-CZ 3.47Å; D20-Y43 WeakPolarHBondContact CB-OH 3.48Å; D20-Y43 PolarHBondContact OD2-OH 3.35Å; L21-Y43 HydrophobicContact CD2-CD1 3.81Å; L21-Y43 HydrophobicContact CD2-CE1 4.39Å; I24-Y43 HydrophobicContact CD1-CD1 4.21Å; I24-Y43 HydrophobicContact CD1-CD2 3.84Å; I24-Y43 HydrophobicContact CD1-CG 3.54Å; H39-Y43 PolarHBondContact O-N 3.41Å; M40-Y43 WeakPolarHBondContact O-CB 3.33Å; M40-Y43 PolarHBondContact O-N 2.96Å; D41-Y43 VanDerWaalsContact C-N 3.32Å; D41-Y43 PolarHBondContact O-N 3.46Å; Y43-V45 VanDerWaalsContact C-N 3.26Å; Y43-V45 PolarHBondContact O-N 3.11Å; Y43-E46 PolarHBondContact O-N 3.12Å; Y43-H47 HydrophobicContact CD2-CB 4.05Å; Y43-H47 AromaticContact CD2-CD2 3.64Å; Y43-H47 AromaticContact CD2-CG 3.97Å; Y43-H47 HydrophobicContact CE2-CB 3.85Å; Y43-H47 WeakPolarHBondContact O-CB 3.33Å; Y43-H47 PolarHBondContact O-N 2.89Å; Y43-V48 HydrophobicContact CE1-CG2 4.15Å
44C96.8Very high94.8Very high0 Ų066.3 Ų66.30%035%0.35CS..Hα-helixtrans-59-38.9178.7-64.10000111.9M40 D41 A42 V48 C57 K58M40-C44 PolarHBondContact O-N 2.98Å; M40-C44 PolarHBondContact O-SG 3.3Å; D41-C44 WeakPolarHBondContact O-CB 3.34Å; D41-C44 PolarHBondContact O-N 2.97Å; D41-C44 VanDerWaalsContact O-N 3.16Å; A42-C44 PolarHBondContact O-N 2.89Å; C44-V48 WeakPolarHBondContact O-CB 2.84Å; C44-V48 PolarHBondContact O-N 3.39Å; C44-C57 WeakPolarHBondContact CA-SG 2.89Å; C44-C57 HydrophobicContact CB-CB 3.73Å; C44-C57 WeakPolarHBondContact CB-SG 3.1Å; C44-C57 WeakPolarHBondContact SG-CB 3.32Å; C44-C57 CovalentContact SG-SG 2.03Å; C44-C57 PolarHBondContact SG-SG 3.47Å; C44-K58 HydrophobicContact CB-CG 3.99Å
45V96.9Very high95Very high68 Ų6865.2 Ų65.241%0.41234%0.341SS..Hα-helixtrans-73.9-41179.2175.90000112.7D41 A42 Y43D41-V45 WeakPolarHBondContact O-CG2 3.36Å; D41-V45 PolarHBondContact O-N 2.98Å; A42-V45 PolarHBondContact O-N 3.41Å; A42-V45 VanDerWaalsContact O-N 3.17Å; Y43-V45 VanDerWaalsContact C-N 3.26Å; Y43-V45 PolarHBondContact O-N 3.11Å
46E96Very high95Very high121 Ų12164.4 Ų64.457%0.56534%0.337SS*.Hα-helixtrans-82-38.2-172.8-69.5179.9-17700112.5A42 Y43 K49A42-E46 WeakPolarHBondContact O-CB 3.32Å; A42-E46 WeakPolarHBondContact O-CG 3.21Å; A42-E46 PolarHBondContact O-N 3.1Å; Y43-E46 PolarHBondContact O-N 3.12Å; E46-K49 VanDerWaalsContact O-CE 3.3Å; E46-K49 WeakPolarHBondContact O-CE 3.41Å; E46-K49 PolarHBondContact O-NZ 3.12Å
47H93.6Very high95.1Very high123 Ų12364.4 Ų64.457%0.56934%0.337SS*.Hα-helixtrans-105.2-28-170.1-66.9-82.3000114Y43 K49Y43-H47 HydrophobicContact CD2-CB 4.05Å; Y43-H47 AromaticContact CD2-CD2 3.64Å; Y43-H47 AromaticContact CD2-CG 3.97Å; Y43-H47 HydrophobicContact CE2-CB 3.85Å; Y43-H47 WeakPolarHBondContact O-CB 3.33Å; Y43-H47 PolarHBondContact O-N 2.89Å; H47-K49 PolarHBondContact O-N 3.11Å
48V93.4Very high95.1Very high14 Ų1465.6 Ų65.69%0.08534%0.342CS..  trans-96.694.2-178.6-168.40000110.6I17 Y43 C44 S53 Q54 C57I17-V48 HydrophobicContact CD1-CG1 4.36Å; I17-V48 HydrophobicContact CD1-CG2 4.42Å; I17-V48 HydrophobicContact CG1-CG2 4.28Å; Y43-V48 HydrophobicContact CE1-CG2 4.15Å; C44-V48 WeakPolarHBondContact O-CB 2.84Å; C44-V48 PolarHBondContact O-N 3.39Å; V48-S53 VanDerWaalsContact CG1-C 3.43Å; V48-S53 VanDerWaalsContact CG1-CB 3.41Å; V48-Q54 HydrophobicContact CB-CB 4.33Å; V48-Q54 HydrophobicContact CG1-CB 4.13Å; V48-Q54 VanDerWaalsContact CG1-N 3.34Å; V48-C57 HydrophobicContact CG2-CB 4.25Å
49K90.9Very high95.1Very high163 Ų16365.8 Ų65.871%0.70935%0.346SS*.  trans-79-23.5-175.2-58.8-51.9-170.7-165.80114.7E46 H47E46-K49 VanDerWaalsContact O-CE 3.3Å; E46-K49 WeakPolarHBondContact O-CE 3.41Å; E46-K49 PolarHBondContact O-NZ 3.12Å; H47-K49 PolarHBondContact O-N 3.11Å
50N93.1Very high95Very high95 Ų9563.4 Ų63.451%0.50834%0.336SS..SBendtrans-78.3124.2176.7179.7-72.5000109.8A52 S53 Q54N50-A52 VanDerWaalsContact C-N 3.31Å; N50-A52 PolarHBondContact O-N 3.47Å; N50-A52 WeakPolarHBondContact OD1-CA 3.47Å; N50-A52 WeakPolarHBondContact OD1-CB 3.37Å; N50-A52 PolarHBondContact OD1-N 2.75Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact OD1-N 3.03Å; N50-S53 VanDerWaalsContact OD1-N 3.08Å; N50-Q54 VanDerWaalsContact O-CB 3.32Å; N50-Q54 WeakPolarHBondContact O-CB 3.27Å; N50-Q54 PolarHBondContact O-N 2.55Å
51H92.6Very high95Very high154 Ų15464 Ų6471%0.71334%0.339SS*.Hα-helixtrans-57.4-38.4-177-77.3-68.1000114.3Q54 A55H51-Q54 PolarHBondContact O-N 2.75Å; H51-A55 WeakPolarHBondContact O-CB 3.47Å; H51-A55 PolarHBondContact O-N 2.98Å
52A91.8Very high94.8Very high73 Ų7365.9 Ų65.960%0.60335%0.349SS*.Hα-helixtrans-70.7-44.417900000111.1N50 Q54 A55 L56N50-A52 VanDerWaalsContact C-N 3.31Å; N50-A52 PolarHBondContact O-N 3.47Å; N50-A52 WeakPolarHBondContact OD1-CA 3.47Å; N50-A52 WeakPolarHBondContact OD1-CB 3.37Å; N50-A52 PolarHBondContact OD1-N 2.75Å; A52-Q54 VanDerWaalsContact C-N 3.29Å; A52-Q54 PolarHBondContact O-N 2.75Å; A52-A55 PolarHBondContact O-N 3.43Å; A52-L56 PolarHBondContact O-N 3.44Å
53S92.5Very high94.6Very high35 Ų3568.9 Ų68.925%0.24536%0.362CS..Hα-helixtrans-64.8-33.6174.5-55.20000112.2V48 N50 L56 C57V48-S53 VanDerWaalsContact CG1-C 3.43Å; V48-S53 VanDerWaalsContact CG1-CB 3.41Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact OD1-N 3.03Å; N50-S53 VanDerWaalsContact OD1-N 3.08Å; S53-L56 WeakPolarHBondContact O-CB 3.46Å; S53-L56 PolarHBondContact O-N 3.48Å; S53-C57 WeakPolarHBondContact O-CB 3.06Å; S53-C57 PolarHBondContact O-N 3.21Å
54Q95.2Very high94.6Very high37 Ų3767.1 Ų67.117%0.17336%0.355CS..Hα-helixtrans-68.3-44.3177-177.4-176.930.200111.2V48 N50 H51 A52 L56 C57 K58V48-Q54 HydrophobicContact CB-CB 4.33Å; V48-Q54 HydrophobicContact CG1-CB 4.13Å; V48-Q54 VanDerWaalsContact CG1-N 3.34Å; N50-Q54 VanDerWaalsContact O-CB 3.32Å; N50-Q54 WeakPolarHBondContact O-CB 3.27Å; N50-Q54 PolarHBondContact O-N 2.55Å; H51-Q54 PolarHBondContact O-N 2.75Å; A52-Q54 VanDerWaalsContact C-N 3.29Å; A52-Q54 PolarHBondContact O-N 2.75Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-C57 WeakPolarHBondContact O-CB 3.44Å; Q54-C57 PolarHBondContact O-N 2.9Å; Q54-K58 WeakPolarHBondContact O-CG 3.34Å; Q54-K58 PolarHBondContact O-N 3.27Å
55A94.9Very high94.3Very high52 Ų5267.1 Ų67.143%0.4336%0.355SS..Hα-helixtrans-60.1-44.6173.600000110.7H51 A52 K58 L59H51-A55 WeakPolarHBondContact O-CB 3.47Å; H51-A55 PolarHBondContact O-N 2.98Å; A52-A55 PolarHBondContact O-N 3.43Å; A55-K58 PolarHBondContact O-N 3.38Å; A55-L59 VanDerWaalsContact O-CG 3.27Å; A55-L59 WeakPolarHBondContact O-CG 3.39Å; A55-L59 PolarHBondContact O-N 3Å
56L93.3Very high94Very high59 Ų5967.6 Ų67.631%0.30935%0.352SS..Hα-helixtrans-57.7-50173.2179.864.1000111.4T14 A52 S53 Q54 K58 L59 L60T14-L56 HydrophobicContact CG2-CD2 4.09Å; A52-L56 PolarHBondContact O-N 3.44Å; S53-L56 WeakPolarHBondContact O-CB 3.46Å; S53-L56 PolarHBondContact O-N 3.48Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.08Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å; L56-L59 PolarHBondContact O-N 2.03Å; L56-L60 HydrophobicContact CD1-CD2 4.49Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 2.82Å
57C96.8Very high93.8Very high0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-52.6-48.3178.3-174.80000111.9I17 C44 V48 S53 Q54 L59 L60I17-C57 HydrophobicContact CG2-CB 3.75Å; C44-C57 WeakPolarHBondContact CA-SG 2.89Å; C44-C57 HydrophobicContact CB-CB 3.73Å; C44-C57 WeakPolarHBondContact CB-SG 3.1Å; C44-C57 WeakPolarHBondContact SG-CB 3.32Å; C44-C57 CovalentContact SG-SG 2.03Å; C44-C57 PolarHBondContact SG-SG 3.47Å; V48-C57 HydrophobicContact CG2-CB 4.25Å; S53-C57 WeakPolarHBondContact O-CB 3.06Å; S53-C57 PolarHBondContact O-N 3.21Å; Q54-C57 WeakPolarHBondContact O-CB 3.44Å; Q54-C57 PolarHBondContact O-N 2.9Å; C57-L59 VanDerWaalsContact C-N 3.33Å; C57-L59 PolarHBondContact O-N 3.28Å; C57-L60 PolarHBondContact O-N 3.11Å
58K96.8Very high93.6Very high78 Ų7856.4 Ų56.434%0.33930%0.301SS..Hα-helixtrans-64.4-35.4178.3-69.8174.7178.5-970113.1D41 C44 Q54 A55 L56 L60 I61D41-K58 WeakPolarHBondContact OD1-CE 3.37Å; D41-K58 IonicContact OD1-NZ 3.32Å; D41-K58 PolarHBondContact OD1-NZ 3.01Å; D41-K58 IonicContact OD2-NZ 2.85Å; D41-K58 PolarHBondContact OD2-NZ 3.32Å; C44-K58 HydrophobicContact CB-CG 3.99Å; Q54-K58 WeakPolarHBondContact O-CG 3.34Å; Q54-K58 PolarHBondContact O-N 3.27Å; A55-K58 PolarHBondContact O-N 3.38Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.08Å; K58-L60 PolarHBondContact O-N 2.87Å; K58-I61 HydrophobicContact CB-CD1 4.49Å; K58-I61 HydrophobicContact CG-CD1 4.48Å; K58-I61 PolarHBondContact O-N 3.26Å
59L95.9Very high93.3Very high129 Ų12958 Ų5868%0.67531%0.309SS*.Hα-helixtrans-65.9-25.4177.3-72.6168.9000112.9A55 L56 C57A55-L59 VanDerWaalsContact O-CG 3.27Å; A55-L59 WeakPolarHBondContact O-CG 3.39Å; A55-L59 PolarHBondContact O-N 3Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å; L56-L59 PolarHBondContact O-N 2.03Å; C57-L59 VanDerWaalsContact C-N 3.33Å; C57-L59 PolarHBondContact O-N 3.28Å
60L95.6Very high92.8Very high14 Ų1455.6 Ų55.67%0.07330%0.3CS..THydrogen-bonded Turntrans-85.7-11-178.8-57.5179.9000113.7I17 L21 L56 C57 K58 I64 V83 I84I17-L60 HydrophobicContact CG2-CD1 4.25Å; L21-L60 HydrophobicContact CD1-CB 4.01Å; L56-L60 HydrophobicContact CD1-CD2 4.49Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 2.82Å; C57-L60 PolarHBondContact O-N 3.11Å; K58-L60 PolarHBondContact O-N 2.87Å; L60-I64 HydrophobicContact CB-CD1 3.85Å; L60-I64 HydrophobicContact CB-CG1 4.47Å; L60-I64 WeakPolarHBondContact O-CB 3.18Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.45Å; L60-V83 HydrophobicContact CD2-CG1 3.92Å; L60-I84 HydrophobicContact CD1-CG2 3.7Å; L60-I84 HydrophobicContact CD2-CG2 3.53Å; L60-I84 HydrophobicContact CG-CG2 4.26Å
61I96.8Very high92Very high12 Ų1254.4 Ų54.46%0.06229%0.293CS..Hα-helixtrans-61.7-50.9-169-67.5178.4000111.8L21 Q37 M40 D41 K58 I64 A65L21-I61 HydrophobicContact CD1-CG1 4.49Å; Q37-I61 HydrophobicContact CB-CG2 3.85Å; Q37-I61 HydrophobicContact CG-CG2 3.82Å; M40-I61 HydrophobicContact CB-CD1 4.05Å; M40-I61 HydrophobicContact CB-CG1 3.96Å; M40-I61 HydrophobicContact CB-CG2 3.94Å; M40-I61 HydrophobicContact CE-CB 4.38Å; M40-I61 HydrophobicContact CE-CG1 4.5Å; M40-I61 HydrophobicContact CE-CG2 4.2Å; M40-I61 HydrophobicContact SD-CG2 4Å; D41-I61 HydrophobicContact CB-CD1 3.96Å; K58-I61 HydrophobicContact CB-CD1 4.49Å; K58-I61 HydrophobicContact CG-CD1 4.48Å; K58-I61 PolarHBondContact O-N 3.26Å; I61-I64 PolarHBondContact O-N 2.93Å; I61-A65 VanDerWaalsContact O-CB 3.25Å; I61-A65 WeakPolarHBondContact O-CB 3.3Å; I61-A65 PolarHBondContact O-N 2.89Å
62D94.6Very high91Very high96 Ų9652.1 Ų52.151%0.51329%0.29SS..Hα-helixtrans-62.7-50.3-175.5-161.856.6000110.7Q37 I64 A65 H66Q37-D62 PolarHBondContact NE2-OD1 3.09Å; D62-I64 VanDerWaalsContact C-N 3.34Å; D62-I64 PolarHBondContact O-N 3.19Å; D62-A65 PolarHBondContact O-N 3.3Å; D62-H66 VanDerWaalsContact O-CB 3.32Å; D62-H66 WeakPolarHBondContact O-CB 3.46Å; D62-H66 PolarHBondContact O-N 3.38Å
63D94.2Very high90.1Very high87 Ų8751.2 Ų51.247%0.46528%0.275SS..Hα-helixtrans-61.3-39.6179.8-68.6-25.4000112.7A67 V83D63-A67 VanDerWaalsContact O-CB 3.25Å; D63-A67 WeakPolarHBondContact O-CB 3.4Å; D63-A67 PolarHBondContact O-N 3.36Å; D63-V83 HydrophobicContact CB-CB 4.4Å; D63-V83 HydrophobicContact CB-CG1 3.62Å; D63-V83 HydrophobicContact CB-CG2 3.95Å
64I94.6Very high89Confident0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-73.3-44.2178.2-69.2172.6000110.9C18 L21 V22 A25 M40 L60 I61 D62 H66 A67 V68 V79 V83C18-I64 HydrophobicContact CB-CD1 4.44Å; L21-I64 HydrophobicContact CB-CD1 3.63Å; L21-I64 HydrophobicContact CB-CG2 4.35Å; L21-I64 HydrophobicContact CD1-CD1 3.86Å; L21-I64 HydrophobicContact CG-CD1 4.42Å; V22-I64 HydrophobicContact CB-CG2 4.48Å; V22-I64 HydrophobicContact CG2-CG2 3.8Å; A25-I64 HydrophobicContact CB-CG2 4.22Å; M40-I64 HydrophobicContact CE-CB 3.73Å; M40-I64 HydrophobicContact CE-CG2 3.56Å; L60-I64 HydrophobicContact CB-CD1 3.85Å; L60-I64 HydrophobicContact CB-CG1 4.47Å; L60-I64 WeakPolarHBondContact O-CB 3.18Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.45Å; I61-I64 PolarHBondContact O-N 2.93Å; D62-I64 VanDerWaalsContact C-N 3.34Å; D62-I64 PolarHBondContact O-N 3.19Å; I64-H66 VanDerWaalsContact C-N 3.34Å; I64-H66 PolarHBondContact O-N 3.3Å; I64-A67 PolarHBondContact O-N 3.03Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.34Å; I64-V68 PolarHBondContact O-N 2.83Å; I64-V79 HydrophobicContact CG1-CG1 4.38Å; I64-V79 HydrophobicContact CG2-CG1 4.41Å; I64-V83 HydrophobicContact CG1-CB 4.35Å; I64-V83 HydrophobicContact CG1-CG1 4.09Å; I64-V83 HydrophobicContact CG1-CG2 4.02Å
65A92.1Very high88.7Confident0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-59.1-48.1178.300000110.3Q37 M40 I61 D62 A67 V68 I69Q37-A65 HydrophobicContact CG-CB 3.96Å; M40-A65 HydrophobicContact SD-CB 4.22Å; I61-A65 VanDerWaalsContact O-CB 3.25Å; I61-A65 WeakPolarHBondContact O-CB 3.3Å; I61-A65 PolarHBondContact O-N 2.89Å; D62-A65 PolarHBondContact O-N 3.3Å; A65-A67 PolarHBondContact O-N 3.4Å; A65-V68 PolarHBondContact O-N 3Å; A65-I69 HydrophobicContact CB-CD1 4.33Å; A65-I69 VanDerWaalsContact O-CB 3.25Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 3.47Å
66H90.6Very high88.4Confident77 Ų7755.7 Ų55.736%0.35629%0.286SS..Hα-helixtrans-60.1-47.1176.2-175.780.7000112.2D62 I64 V68 E70 D71D62-H66 VanDerWaalsContact O-CB 3.32Å; D62-H66 WeakPolarHBondContact O-CB 3.46Å; D62-H66 PolarHBondContact O-N 3.38Å; I64-H66 VanDerWaalsContact C-N 3.34Å; I64-H66 PolarHBondContact O-N 3.3Å; H66-V68 VanDerWaalsContact C-N 3.32Å; H66-V68 PolarHBondContact O-N 2.57Å; H66-E70 IonicContact CE1-OE1 2.56Å; H66-E70 PolarHBondContact CE1-OE1 2.95Å; H66-E70 VanDerWaalsContact CE1-OE1 3.32Å; H66-E70 IonicContact CE1-OE2 3.12Å; H66-E70 PolarHBondContact CE1-OE2 3.4Å; H66-E70 IonicContact ND1-OE1 3.99Å; H66-E70 PolarHBondContact ND1-OE1 3Å; H66-E70 IonicContact ND1-OE2 2.75Å; H66-E70 PolarHBondContact ND1-OE2 3.35Å; H66-E70 IonicContact NE2-OE2 2.8Å; H66-E70 WeakPolarHBondContact O-CB 3.49Å; H66-E70 PolarHBondContact O-N 3.12Å; H66-D71 PolarHBondContact O-N 2.86Å
67A90.3Very high88.2Confident2 Ų254.3 Ų54.32%0.01728%0.28CS..Hα-helixtrans-64.2-33.318000000113.7D63 I64 A65 D71 D73 V79D63-A67 VanDerWaalsContact O-CB 3.25Å; D63-A67 WeakPolarHBondContact O-CB 3.4Å; D63-A67 PolarHBondContact O-N 3.36Å; I64-A67 PolarHBondContact O-N 3.03Å; A65-A67 PolarHBondContact O-N 3.4Å; A67-D71 WeakPolarHBondContact O-CB 3.4Å; A67-D73 PolarHBondContact O-N 2.88Å; A67-V79 HydrophobicContact CB-CG1 3.93Å; A67-V79 HydrophobicContact CB-CG2 4.45Å
68V89.9Confident87.9Confident7 Ų755.3 Ų55.34%0.04229%0.291CS..Hα-helixtrans-83.6-41.6-179.71740000111.5V22 A25 E26 I64 A65 H66 V79V22-V68 HydrophobicContact CG1-CG2 4.14Å; A25-V68 HydrophobicContact CB-CB 3.91Å; A25-V68 HydrophobicContact CB-CG1 3.93Å; A25-V68 HydrophobicContact CB-CG2 3.96Å; E26-V68 HydrophobicContact CG-CG1 3.89Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.34Å; I64-V68 PolarHBondContact O-N 2.83Å; A65-V68 PolarHBondContact O-N 3Å; H66-V68 VanDerWaalsContact C-N 3.32Å; H66-V68 PolarHBondContact O-N 2.57Å; V68-V79 HydrophobicContact CG2-CG1 4.36Å; V68-V79 HydrophobicContact CG2-CG2 4.14Å
69I86.4Confident87.7Confident48 Ų4851.6 Ų51.625%0.24627%0.274CS..Hα-helixtrans-81.3-49.8-174.3-61.9168.7000111.1E33 V36 A65E33-I69 HydrophobicContact CB-CD1 4.07Å; E33-I69 HydrophobicContact CG-CD1 4Å; V36-I69 HydrophobicContact CB-CD1 4.2Å; V36-I69 HydrophobicContact CG1-CD1 4.33Å; V36-I69 HydrophobicContact CG2-CD1 3.97Å; A65-I69 HydrophobicContact CB-CD1 4.33Å; A65-I69 VanDerWaalsContact O-CB 3.25Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 3.47Å
70E81.6Confident87.6Confident113 Ų11345.5 Ų45.553%0.52824%0.242SC..THydrogen-bonded Turntrans-90.1-46.2-172.5-64.2-170.1-144.100112.6H66 T72H66-E70 IonicContact CE1-OE1 2.56Å; H66-E70 PolarHBondContact CE1-OE1 2.95Å; H66-E70 VanDerWaalsContact CE1-OE1 3.32Å; H66-E70 IonicContact CE1-OE2 3.12Å; H66-E70 PolarHBondContact CE1-OE2 3.4Å; H66-E70 IonicContact ND1-OE1 3.99Å; H66-E70 PolarHBondContact ND1-OE1 3Å; H66-E70 IonicContact ND1-OE2 2.75Å; H66-E70 PolarHBondContact ND1-OE2 3.35Å; H66-E70 IonicContact NE2-OE2 2.8Å; H66-E70 WeakPolarHBondContact O-CB 3.49Å; H66-E70 PolarHBondContact O-N 3.12Å; E70-T72 PolarHBondContact O-N 2.96Å
71D75.7Confident87.4Confident69 Ų6948.3 Ų48.337%0.36926%0.255SS..SBendtrans-78.2-7.4-179.9-63.5-48.6000112.7H66 A67 D73 K82H66-D71 PolarHBondContact O-N 2.86Å; A67-D71 WeakPolarHBondContact O-CB 3.4Å; D71-D73 PolarHBondContact O-N 3.12Å; D71-K82 IonicContact OD1-NZ 2.61Å; D71-K82 IonicContact OD2-NZ 3.94Å; D71-K82 PolarHBondContact OD2-NZ 2.89Å
72T71.4Confident87.2Confident106 Ų10653.1 Ų53.165%0.6528%0.276SS*.  trans53.423.4-17763.10000113.8E70 Q74E70-T72 PolarHBondContact O-N 2.96Å; T72-Q74 PolarHBondContact O-N 3.34Å
73D72.6Confident87.1Confident54 Ų5449.5 Ų49.529%0.28926%0.257SS..  trans-7994179.9-164.3-9.7000109.4A67 D71 N75 V79A67-D73 PolarHBondContact O-N 2.88Å; D71-D73 PolarHBondContact O-N 3.12Å; D73-N75 PolarHBondContact O-N 2.68Å; D73-N75 WeakPolarHBondContact OD1-CB 3.34Å; D73-N75 PolarHBondContact OD1-N 3.09Å; D73-N75 VanDerWaalsContact OD1-N 3.12Å; D73-V79 HydrophobicContact CB-CG2 3.93Å; D73-V79 WeakPolarHBondContact O-CG2 3.33Å
74Q70.8Confident87Confident139 Ų13946.8 Ų46.865%0.6524%0.242SC*.  trans-87.713177.9-60.6-173.8-8.400112.5T72 P76T72-Q74 PolarHBondContact O-N 3.34Å; Q74-P76 WeakPolarHBondContact O-CD 3.5Å
75N87.3Confident86.8Confident80 Ų8054.1 Ų54.143%0.42828%0.276SS..  trans-94.9107.1171.2-178.6-2.7000109.5D73 T77 G78 V79D73-N75 PolarHBondContact O-N 2.68Å; D73-N75 WeakPolarHBondContact OD1-CB 3.34Å; D73-N75 PolarHBondContact OD1-N 3.09Å; D73-N75 VanDerWaalsContact OD1-N 3.12Å; N75-T77 VanDerWaalsContact C-N 3.27Å; N75-T77 PolarHBondContact O-N 2.67Å; N75-T77 PolarHBondContact OD1-N 3.34Å; N75-G78 WeakPolarHBondContact O-CA 3.44Å; N75-G78 PolarHBondContact O-N 2.8Å; N75-V79 PolarHBondContact O-N 3.17Å
76P89.1Confident86.6Confident0 Ų057.5 Ų57.50%029%0.291CS..Hα-helixtrans-60.5-35.1-177-2030.2000113.9Y5 L19 V22 Q74 G78 C80 Y90Y5-P76 HydrophobicContact CD1-CG 4.22Å; Y5-P76 HydrophobicContact CD2-CB 4.16Å; Y5-P76 HydrophobicContact CD2-CG 4Å; Y5-P76 HydrophobicContact CE1-CG 3.6Å; Y5-P76 HydrophobicContact CE2-CB 3.91Å; Y5-P76 HydrophobicContact CE2-CG 3.36Å; Y5-P76 HydrophobicContact CG-CG 4.38Å; Y5-P76 WeakPolarHBondContact OH-CG 3.48Å; L19-P76 HydrophobicContact CD2-CB 3.53Å; V22-P76 HydrophobicContact CB-CB 4.39Å; V22-P76 HydrophobicContact CG1-CB 3.86Å; V22-P76 HydrophobicContact CG1-CG 4.11Å; Q74-P76 WeakPolarHBondContact O-CD 3.5Å; P76-G78 VanDerWaalsContact C-N 3.31Å; P76-C80 WeakPolarHBondContact O-CB 3.47Å; P76-C80 PolarHBondContact O-N 3.29Å; P76-C80 PolarHBondContact O-SG 3.37Å; P76-Y90 HydrophobicContact CB-CD1 4.4Å; P76-Y90 HydrophobicContact CB-CE1 3.88Å; P76-Y90 WeakPolarHBondContact CD-OH 3.46Å; P76-Y90 HydrophobicContact CG-CE1 3.86Å
77T89.6Confident86.5Confident30 Ų3058 Ų5818%0.18430%0.299CS..Hα-helixtrans-68.8-35175.8-59.30000111N75 Q81 T87 C88 Y90N75-T77 VanDerWaalsContact C-N 3.27Å; N75-T77 PolarHBondContact O-N 2.67Å; N75-T77 PolarHBondContact OD1-N 3.34Å; T77-Q81 VanDerWaalsContact O-CB 3.22Å; T77-Q81 WeakPolarHBondContact O-CB 3.41Å; T77-Q81 PolarHBondContact O-N 3.4Å; T77-T87 HydrophobicContact CG2-CG2 3.66Å; T77-C88 PolarHBondContact OG1-O 3.31Å; T77-Y90 WeakPolarHBondContact OG1-CD1 3.3Å; T77-Y90 WeakPolarHBondContact OG1-CE1 3.33Å
78G90.3Very high86.5Confident21 Ų2157.9 Ų57.922%0.21630%0.298CS..Hα-helixtrans-65.3-50174.900000111.8N75 P76 C80 Q81 K82N75-G78 WeakPolarHBondContact O-CA 3.44Å; N75-G78 PolarHBondContact O-N 2.8Å; P76-G78 VanDerWaalsContact C-N 3.31Å; G78-C80 PolarHBondContact O-N 2.99Å; G78-Q81 PolarHBondContact O-N 3.27Å; G78-K82 PolarHBondContact O-N 3.1Å
79V92.9Very high86.4Confident0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-59-49.9176.8177.90000111V22 I64 A67 V68 D73 N75 Q81 K82 V83V22-V79 HydrophobicContact CG2-CB 3.89Å; V22-V79 HydrophobicContact CG2-CG1 3.58Å; I64-V79 HydrophobicContact CG1-CG1 4.38Å; I64-V79 HydrophobicContact CG2-CG1 4.41Å; A67-V79 HydrophobicContact CB-CG1 3.93Å; A67-V79 HydrophobicContact CB-CG2 4.45Å; V68-V79 HydrophobicContact CG2-CG1 4.36Å; V68-V79 HydrophobicContact CG2-CG2 4.14Å; D73-V79 HydrophobicContact CB-CG2 3.93Å; D73-V79 WeakPolarHBondContact O-CG2 3.33Å; N75-V79 PolarHBondContact O-N 3.17Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 3.15Å; V79-K82 WeakPolarHBondContact O-CB 3.45Å; V79-K82 PolarHBondContact O-N 3.37Å; V79-V83 HydrophobicContact CG1-CG2 4.15Å; V79-V83 WeakPolarHBondContact O-CG2 3.45Å; V79-V83 PolarHBondContact O-N 3.35Å
80C92.9Very high86.4Confident0 Ų060.8 Ų60.80%031%0.314CS..Hα-helixtrans-64.2-36.7178.1-66.50000112.8C18 P76 G78 K82 V83 I84 K86 C88C18-C80 VanDerWaalsContact C-SG 3.55Å; C18-C80 HydrophobicContact CB-CB 4.06Å; C18-C80 WeakPolarHBondContact CB-SG 3.36Å; C18-C80 WeakPolarHBondContact SG-CA 3.48Å; C18-C80 WeakPolarHBondContact SG-CB 3.32Å; C18-C80 CovalentContact SG-SG 2.04Å; C18-C80 PolarHBondContact SG-SG 3.43Å; P76-C80 WeakPolarHBondContact O-CB 3.47Å; P76-C80 PolarHBondContact O-N 3.29Å; P76-C80 PolarHBondContact O-SG 3.37Å; G78-C80 PolarHBondContact O-N 2.99Å; C80-K82 PolarHBondContact O-N 3.16Å; C80-V83 PolarHBondContact O-N 3.05Å; C80-I84 HydrophobicContact CB-CD1 4.34Å; C80-I84 HydrophobicContact CB-CG1 4.2Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 3.12Å; C80-K86 CarbonylContact C-O 3.44Å; C80-C88 HydrophobicContact CB-CB 4.01Å
81Q92.8Very high86.4Confident74 Ų7460 Ų6035%0.34631%0.313SS..Hα-helixtrans-63-33.7173.3-179.159.350.400112.1T77 G78 V79 H85 K86 T87T77-Q81 VanDerWaalsContact O-CB 3.22Å; T77-Q81 WeakPolarHBondContact O-CB 3.41Å; T77-Q81 PolarHBondContact O-N 3.4Å; G78-Q81 PolarHBondContact O-N 3.27Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 3.15Å; Q81-H85 PolarHBondContact NE2-O 2.99Å; Q81-H85 WeakPolarHBondContact O-CA 3.35Å; Q81-H85 PolarHBondContact O-N 2.85Å; Q81-K86 WeakPolarHBondContact CA-O 3.05Å; Q81-K86 PolarHBondContact N-O 3.3Å; Q81-T87 VanDerWaalsContact OE1-CA 3.3Å; Q81-T87 PolarHBondContact OE1-OG1 2.88Å
82K91.1Very high85.8Confident112 Ų11265.2 Ų65.249%0.48734%0.341SS..Hα-helixtrans-72.9-49.6177.4-173.5177177.1177.60111.7D71 G78 V79 C80 H85D71-K82 IonicContact OD1-NZ 2.61Å; D71-K82 IonicContact OD2-NZ 3.94Å; D71-K82 PolarHBondContact OD2-NZ 2.89Å; G78-K82 PolarHBondContact O-N 3.1Å; V79-K82 WeakPolarHBondContact O-CB 3.45Å; V79-K82 PolarHBondContact O-N 3.37Å; C80-K82 PolarHBondContact O-N 3.16Å; K82-H85 PolarHBondContact O-CE1 3.3Å
83V92.3Very high86.6Confident21 Ų2163.2 Ų63.213%0.12733%0.326CS..Hα-helixtrans-79.7-47.7-171178.20000112.5L60 D63 I64 V79 C80L60-V83 HydrophobicContact CD2-CG1 3.92Å; D63-V83 HydrophobicContact CB-CB 4.4Å; D63-V83 HydrophobicContact CB-CG1 3.62Å; D63-V83 HydrophobicContact CB-CG2 3.95Å; I64-V83 HydrophobicContact CG1-CB 4.35Å; I64-V83 HydrophobicContact CG1-CG1 4.09Å; I64-V83 HydrophobicContact CG1-CG2 4.02Å; V79-V83 HydrophobicContact CG1-CG2 4.15Å; V79-V83 WeakPolarHBondContact O-CG2 3.45Å; V79-V83 PolarHBondContact O-N 3.35Å; C80-V83 PolarHBondContact O-N 3.05Å
84I92.6Very high87.3Confident29 Ų2963.7 Ų63.715%0.14933%0.328CS..SBendtrans-106.48.5-175.563.3164.5000113.1T14 C18 L60 C80 K86T14-I84 HydrophobicContact CG2-CB 4.34Å; T14-I84 HydrophobicContact CG2-CD1 3.69Å; T14-I84 HydrophobicContact CG2-CG2 4.25Å; C18-I84 HydrophobicContact CB-CD1 3.9Å; L60-I84 HydrophobicContact CD1-CG2 3.7Å; L60-I84 HydrophobicContact CD2-CG2 3.53Å; L60-I84 HydrophobicContact CG-CG2 4.26Å; C80-I84 HydrophobicContact CB-CD1 4.34Å; C80-I84 HydrophobicContact CB-CG1 4.2Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 3.12Å; I84-K86 HydrophobicContact CD1-CB 4.12Å; I84-K86 HydrophobicContact CG1-CB 4.11Å; I84-K86 PolarHBondContact O-N 3.05Å
85H91.2Very high88.2Confident155 Ų15559.5 Ų59.572%0.71831%0.31SS*.SBendtrans5426.4-179.6-59.3-51.1000114.3Q81 K82Q81-H85 PolarHBondContact NE2-O 2.99Å; Q81-H85 WeakPolarHBondContact O-CA 3.35Å; Q81-H85 PolarHBondContact O-N 2.85Å; K82-H85 PolarHBondContact O-CE1 3.3Å
86K87.3Confident88.3Confident71 Ų7158.3 Ų58.331%0.30930%0.303SS..SBendtrans-134.3135.5-175.7-169.2178.3-179.4-169.10111.5D12 C80 Q81 I84 C88D12-K86 IonicContact OD1-NZ 3.37Å; D12-K86 PolarHBondContact OD1-NZ 3.29Å; D12-K86 IonicContact OD2-NZ 2.96Å; D12-K86 PolarHBondContact OD2-NZ 3.04Å; C80-K86 CarbonylContact C-O 3.44Å; Q81-K86 WeakPolarHBondContact CA-O 3.05Å; Q81-K86 PolarHBondContact N-O 3.3Å; I84-K86 HydrophobicContact CD1-CB 4.12Å; I84-K86 HydrophobicContact CG1-CB 4.11Å; I84-K86 PolarHBondContact O-N 3.05Å; K86-C88 PolarHBondContact O-N 3.42Å
87T89Confident88.2Confident86 Ų8661.9 Ų61.953%0.52832%0.322SS..  trans-76.8118.4175.7-50.80000108.4T77 Q81 P89T77-T87 HydrophobicContact CG2-CG2 3.66Å; Q81-T87 VanDerWaalsContact OE1-CA 3.3Å; Q81-T87 PolarHBondContact OE1-OG1 2.88Å; T87-P89 WeakPolarHBondContact O-CD 3.47Å
88C90.2Very high88.1Confident0 Ų064.1 Ų64.10%033%0.331CS..  trans-111.287.9179.4-62.40000110.4C15 L19 T77 C80 K86C15-C88 WeakPolarHBondContact CA-SG 3.41Å; C15-C88 HydrophobicContact CB-CB 3.65Å; C15-C88 WeakPolarHBondContact CB-SG 3.34Å; C15-C88 WeakPolarHBondContact SG-CA 3.47Å; C15-C88 WeakPolarHBondContact SG-CB 3.48Å; C15-C88 CovalentContact SG-SG 2.05Å; C15-C88 PolarHBondContact SG-SG 3.23Å; L19-C88 HydrophobicContact CD1-CB 4.02Å; L19-C88 HydrophobicContact CD2-CB 4.32Å; L19-C88 HydrophobicContact CG-CB 4.12Å; T77-C88 PolarHBondContact OG1-O 3.31Å; C80-C88 HydrophobicContact CB-CB 4.01Å; K86-C88 PolarHBondContact O-N 3.42Å
89P87.2Confident88Confident60 Ų6067.1 Ų67.139%0.3934%0.339SS..  trans-71.9138175.225.5-29.6000111.1S8 T87S8-P89 PolarHBondContact N-O 2.69Å; S8-P89 WeakPolarHBondContact OG-CG 3.22Å; S8-P89 PolarHBondContact OG-O 2.86Å; T87-P89 WeakPolarHBondContact O-CD 3.47Å
90Y86.4Confident87.6Confident57 Ų5772.3 Ų72.322%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-132.9157.6179.766.3-87.2000111Y5 V6 L19 P76 T77 N92Y5-Y90 AromaticContact CD1-CD2 3.4Å; Y5-Y90 HydrophobicContact CD1-CD2 3.4Å; Y5-Y90 HydrophobicContact CD1-CE1 4.5Å; Y5-Y90 AromaticContact CD1-CE2 3.26Å; Y5-Y90 HydrophobicContact CD1-CE2 3.26Å; Y5-Y90 HydrophobicContact CD1-CG 4.08Å; Y5-Y90 AromaticContact CD1-CZ 3.87Å; Y5-Y90 HydrophobicContact CE1-CD2 4.19Å; Y5-Y90 AromaticContact CE1-CE2 3.58Å; Y5-Y90 HydrophobicContact CE1-CE2 3.58Å; Y5-Y90 AromaticContact CE1-CZ 3.89Å; Y5-Y90 HydrophobicContact CG-CD2 4.07Å; Y5-Y90 HydrophobicContact CG-CE2 4.26Å; Y5-Y90 HydrophobicContact CG-CG 4.35Å; V6-Y90 CarbonylContact O-C 3.51Å; V6-Y90 VanDerWaalsContact O-CA 3.32Å; V6-Y90 WeakPolarHBondContact O-CA 3.33Å; L19-Y90 HydrophobicContact CD2-CD1 3.91Å; L19-Y90 HydrophobicContact CD2-CG 4.48Å; P76-Y90 HydrophobicContact CB-CD1 4.4Å; P76-Y90 HydrophobicContact CB-CE1 3.88Å; P76-Y90 WeakPolarHBondContact CD-OH 3.46Å; P76-Y90 HydrophobicContact CG-CE1 3.86Å; T77-Y90 WeakPolarHBondContact OG1-CD1 3.3Å; T77-Y90 WeakPolarHBondContact OG1-CE1 3.33Å; Y90-N92 VanDerWaalsContact CE2-OD1 3.27Å; Y90-N92 WeakPolarHBondContact CE2-OD1 3.35Å
91N82.6Confident87.1Confident97 Ų9778.3 Ų78.352%0.51940%0.396SS..EExtended strand (participates in β ladder)trans-100.5144.5169.5-59.7-45000108.8V6V6-N91 PolarHBondContact N-O 3.35Å; V6-N91 VanDerWaalsContact N-O 3.09Å; V6-N91 PolarHBondContact O-N 3.05Å
92N63.1Low86.6Confident178 Ų17878.7 Ų78.795%0.95240%0.4SS*.  trans-90.10173.6-78.4-36.4000111.6Y90Y90-N92 VanDerWaalsContact CE2-OD1 3.27Å; Y90-N92 WeakPolarHBondContact CE2-OD1 3.35Å

Retrieved 92 of 92 residues in 66.8 ms (Link to these results)

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