A0A3Q3FNT2_KRYMA Loading...

Dynein light chain

Force generating protein of respiratory cilia. Produces force towards the minus ends of microtubules. Dynein has ATPase activity.

AlphaFold DB , UniProt , Accession A0A3Q3FNT2, Species KRYMA (Kryptolebias marmoratus, Mangrove killifish), Gene n/a, Length 106 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.4Very low48.8Very low254 Ų254126.5 Ų126.5100%1.25173%0.728SS**  0102.60-61.2-165.6-155.600106.7
2A47Very low49Very low106 Ų106119.7 Ų119.788%0.87670%0.697SS**  trans-123.3141.3-17300000109.9
3G50.5Low49.4Very low62 Ų62116.5 Ų116.564%0.63968%0.676SS**  trans90.66915400000117.5
4T49.8Very low49.7Very low142 Ų142118.5 Ų118.587%0.87167%0.668SS**SBendtrans-131.47.116050.10000114
5G51.1Low49.8Very low54 Ų54119 Ų11956%0.55766%0.66SS**SBendtrans-97.2-21.7-175.900000116.2
6E46.3Very low50.1Low147 Ų147122.6 Ų122.669%0.68766%0.661SS**SBendtrans-85.2-42.1-167.6-68.1172.4121.600112.7K8 K9 E10E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.13Å; E6-K9 WeakPolarHBondContact O-CB 3.29Å; E6-K9 PolarHBondContact O-N 3.24Å; E6-E10 PolarHBondContact O-N 2.92Å
7G48.4Very low50.3Low53 Ų53122.6 Ų122.655%0.54666%0.66SS.*Hα-helixtrans-64.1-26.3-178.600000115.4E11G7-E11 PolarHBondContact O-N 3.28Å
8K48.6Very low50.6Low170 Ų170118.4 Ų118.474%0.73964%0.635SS**Hα-helixtrans-77-23.5175-77.3-175.1176.1-179.20113.2E6 A12E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.13Å; K8-A12 WeakPolarHBondContact O-CB 3.4Å; K8-A12 PolarHBondContact O-N 3.12Å
9K49.3Very low51.1Low151 Ų151115.8 Ų115.866%0.65763%0.627SS**Hα-helixtrans-80.1-47.4-179.5-124.9179.3177.3-1750110.3E6 E11 A12 D13E6-K9 WeakPolarHBondContact O-CB 3.29Å; E6-K9 PolarHBondContact O-N 3.24Å; K9-E11 PolarHBondContact O-N 3.47Å; K9-A12 PolarHBondContact O-N 2.67Å; K9-A12 VanDerWaalsContact O-N 3.14Å; K9-D13 PolarHBondContact O-N 2.87Å; K9-D13 VanDerWaalsContact O-OD2 3.07Å
10E50.4Low52.2Low143 Ų143117.7 Ų117.767%0.66863%0.629SS**Hα-helixtrans-60.6-40.2175.4-84.917285.400113.2E6 A12 D13 Y14E6-E10 PolarHBondContact O-N 2.92Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 2.77Å; E10-D13 PolarHBondContact O-N 3.29Å; E10-Y14 WeakPolarHBondContact O-CB 3.48Å; E10-Y14 PolarHBondContact O-N 3.09Å
11E53Low53.9Low110 Ų110113.7 Ų113.751%0.51461%0.61SS.*Hα-helixtrans-66.1-34.4175.9-125.3-148.2115.900112.5G7 K9 K15G7-E11 PolarHBondContact O-N 3.28Å; K9-E11 PolarHBondContact O-N 3.47Å; E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 WeakPolarHBondContact O-CG 3.35Å; E11-K15 PolarHBondContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.67Å; E11-K15 PolarHBondContact OE1-NZ 3.25Å
12A51.3Low56.1Low44 Ų44107 Ų10736%0.36458%0.579SS.*Hα-helixtrans-75.7-36.2177.500000112K8 K9 E10 R16K8-A12 WeakPolarHBondContact O-CB 3.4Å; K8-A12 PolarHBondContact O-N 3.12Å; K9-A12 PolarHBondContact O-N 2.67Å; K9-A12 VanDerWaalsContact O-N 3.14Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 2.77Å; A12-R16 VanDerWaalsContact O-CG 3.3Å; A12-R16 WeakPolarHBondContact O-CG 3.41Å; A12-R16 PolarHBondContact O-N 3.48Å
13D53.9Low58.3Low79 Ų79104.8 Ų104.842%0.42255%0.551SS.*Hα-helixtrans-71-36.9174.2-76.4-55000111.6K9 E10 R16 L17K9-D13 PolarHBondContact O-N 2.87Å; K9-D13 VanDerWaalsContact O-OD2 3.07Å; E10-D13 PolarHBondContact O-N 3.29Å; D13-R16 PolarHBondContact O-N 2.67Å; D13-L17 PolarHBondContact O-N 2.8Å
14Y54.1Low60.3Low144 Ų144109.5 Ų109.557%0.56555%0.55SS*.Hα-helixtrans-62.5-49.4169.8-168.4-103.4000110.7E10 R16 L17 H18E10-Y14 WeakPolarHBondContact O-CB 3.48Å; E10-Y14 PolarHBondContact O-N 3.09Å; Y14-R16 PolarHBondContact O-N 3.18Å; Y14-L17 WeakPolarHBondContact O-CB 3.45Å; Y14-L17 PolarHBondContact O-N 2.81Å; Y14-L17 VanDerWaalsContact O-N 3.09Å; Y14-H18 AromaticContact CD1-CD2 3.25Å; Y14-H18 WeakPolarHBondContact CD1-CD2 3.24Å; Y14-H18 AromaticContact CD1-NE2 3.61Å; Y14-H18 AromaticContact CD2-CD2 3.8Å; Y14-H18 AromaticContact CD2-NE2 3.54Å; Y14-H18 AromaticContact CE1-CD2 3.16Å; Y14-H18 WeakPolarHBondContact CE1-CD2 3.39Å; Y14-H18 AromaticContact CE1-NE2 3.11Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.4Å; Y14-H18 AromaticContact CE2-CD2 3.75Å; Y14-H18 AromaticContact CE2-NE2 3.05Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.39Å; Y14-H18 AromaticContact CG-CD2 3.56Å; Y14-H18 AromaticContact CG-NE2 3.8Å; Y14-H18 AromaticContact CZ-CD2 3.43Å; Y14-H18 VanDerWaalsContact CZ-CD2 3.43Å; Y14-H18 AromaticContact CZ-CE1 3.79Å; Y14-H18 AromaticContact CZ-NE2 2.79Å; Y14-H18 WeakPolarHBondContact O-CB 3.44Å; Y14-H18 PolarHBondContact O-CD2 3.27Å; Y14-H18 PolarHBondContact O-N 3.07Å; Y14-H18 PolarHBondContact OH-NE2 3.2Å; Y14-H18 VanDerWaalsContact OH-NE2 3.14Å
15K51.3Low62.3Low126 Ų126107.6 Ų107.655%0.54853%0.531SS..Hα-helixtrans-57.3-33.6175.3-81.2171.4-1771500113.2E11 H18 S19E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 WeakPolarHBondContact O-CG 3.35Å; E11-K15 PolarHBondContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.67Å; E11-K15 PolarHBondContact OE1-NZ 3.25Å; K15-H18 PolarHBondContact O-N 3.31Å; K15-S19 PolarHBondContact O-N 2.82Å; K15-S19 PolarHBondContact O-OG 3.2Å
16R53.8Low64.4Low176 Ų176106.6 Ų106.666%0.66451%0.514SS*.Hα-helixtrans-73.6-36.5175.1-76.8173.9176.4-176-2113.5A12 D13 Y14 H18 S19A12-R16 VanDerWaalsContact O-CG 3.3Å; A12-R16 WeakPolarHBondContact O-CG 3.41Å; A12-R16 PolarHBondContact O-N 3.48Å; D13-R16 PolarHBondContact O-N 2.67Å; Y14-R16 PolarHBondContact O-N 3.18Å; R16-H18 PolarHBondContact O-N 3.37Å; R16-S19 PolarHBondContact O-N 3.5Å
17L53.6Low66.7Low124 Ų124101.9 Ų101.965%0.64949%0.494SS*.Hα-helixtrans-65-32.4170.9-78158.5000111.6D13 Y14D13-L17 PolarHBondContact O-N 2.8Å; Y14-L17 WeakPolarHBondContact O-CB 3.45Å; Y14-L17 PolarHBondContact O-N 2.81Å; Y14-L17 VanDerWaalsContact O-N 3.09Å
18H56.2Low68.9Low46 Ų46100 Ų10021%0.21347%0.471CS..THydrogen-bonded Turntrans-84.9-6-178.8-78.4-57.8000115.6Y14 K15 R16 F20 G95 G96Y14-H18 AromaticContact CD1-CD2 3.25Å; Y14-H18 WeakPolarHBondContact CD1-CD2 3.24Å; Y14-H18 AromaticContact CD1-NE2 3.61Å; Y14-H18 AromaticContact CD2-CD2 3.8Å; Y14-H18 AromaticContact CD2-NE2 3.54Å; Y14-H18 AromaticContact CE1-CD2 3.16Å; Y14-H18 WeakPolarHBondContact CE1-CD2 3.39Å; Y14-H18 AromaticContact CE1-NE2 3.11Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.4Å; Y14-H18 AromaticContact CE2-CD2 3.75Å; Y14-H18 AromaticContact CE2-NE2 3.05Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.39Å; Y14-H18 AromaticContact CG-CD2 3.56Å; Y14-H18 AromaticContact CG-NE2 3.8Å; Y14-H18 AromaticContact CZ-CD2 3.43Å; Y14-H18 VanDerWaalsContact CZ-CD2 3.43Å; Y14-H18 AromaticContact CZ-CE1 3.79Å; Y14-H18 AromaticContact CZ-NE2 2.79Å; Y14-H18 WeakPolarHBondContact O-CB 3.44Å; Y14-H18 PolarHBondContact O-CD2 3.27Å; Y14-H18 PolarHBondContact O-N 3.07Å; Y14-H18 PolarHBondContact OH-NE2 3.2Å; Y14-H18 VanDerWaalsContact OH-NE2 3.14Å; K15-H18 PolarHBondContact O-N 3.31Å; R16-H18 PolarHBondContact O-N 3.37Å; H18-F20 PolarHBondContact O-N 3.11Å; H18-G95 CarbonylContact O-C 3.44Å; H18-G95 WeakPolarHBondContact O-CA 3.38Å; H18-G95 PolarHBondContact O-N 3.04Å; H18-G96 WeakPolarHBondContact ND1-CA 3.45Å; H18-G96 PolarHBondContact O-N 2.99Å
19S60.1Low71Confident70 Ų7094.9 Ų94.949%0.4946%0.455SS..THydrogen-bonded Turntrans-70-18.5168.9-58.10000112.6K15 R16K15-S19 PolarHBondContact O-N 2.82Å; K15-S19 PolarHBondContact O-OG 3.2Å; R16-S19 PolarHBondContact O-N 3.5Å
20F73.3Confident73Confident152 Ų15294.3 Ų94.367%0.66746%0.455SS*.SBendtrans-83.2134.7178.7-70.5-82000111.7H18 L22H18-F20 PolarHBondContact O-N 3.11Å; F20-L22 PolarHBondContact O-N 2.83Å
21P86.3Confident75Confident34 Ų3495.7 Ų95.722%0.22146%0.461CS..  trans-64.3124.9173.128.6-35.3000109.9M37 V41 M92 F93P21-M37 HydrophobicContact CB-CG 3.86Å; P21-M37 HydrophobicContact CB-SD 4.16Å; P21-M37 HydrophobicContact CG-CE 4.38Å; P21-M37 HydrophobicContact CG-CG 3.8Å; P21-M37 HydrophobicContact CG-SD 3.7Å; P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.66Å; P21-M92 HydrophobicContact CB-CE 3.63Å; P21-M92 HydrophobicContact CB-SD 4.35Å; P21-F93 CarbonylContact C-O 3.49Å; P21-F93 WeakPolarHBondContact CA-O 3.48Å
22L90.6Very high76.9Confident115 Ų11591.7 Ų91.760%0.60244%0.443SS*.EExtended strand (participates in β ladder)trans-106.6107.9176.7-176.873000109.5F20 R24 M92 F93F20-L22 PolarHBondContact O-N 2.83Å; L22-R24 PolarHBondContact O-N 2.97Å; L22-M92 CarbonylContact O-C 3.59Å; L22-M92 WeakPolarHBondContact O-CA 3.32Å; L22-M92 WeakPolarHBondContact O-CB 3.43Å; L22-F93 HydrophobicContact CB-CB 4.41Å; L22-F93 PolarHBondContact N-O 3.18Å; L22-F93 PolarHBondContact O-N 2.81Å
23I92.6Very high78.9Confident58 Ų5893.3 Ų93.330%0.29744%0.44SS..EExtended strand (participates in β ladder)trans-73116.8176.3-59.1177.6000109T26 R33 M37 L90 M92I23-T26 HydrophobicContact CG2-CG2 3.67Å; I23-R33 HydrophobicContact CD1-CG 3.9Å; I23-M37 HydrophobicContact CD1-SD 4.09Å; I23-M37 HydrophobicContact CG1-SD 4.43Å; I23-L90 HydrophobicContact CD1-CD1 4.38Å; I23-L90 HydrophobicContact CG1-CD1 4.29Å; I23-L90 HydrophobicContact CG2-CD1 4.05Å; I23-M92 HydrophobicContact CG1-CB 4.48Å
24R92.5Very high80.8Confident161 Ų16192.3 Ų92.361%0.60844%0.436SS*.EExtended strand (participates in β ladder)trans-88.5-37.5179-179.462.1179.488.4-1.1112.2L22 Y91 F93L22-R24 PolarHBondContact O-N 2.97Å; R24-Y91 HydrophobicContact CB-CD1 3.55Å; R24-Y91 HydrophobicContact CB-CE1 3.78Å; R24-Y91 HydrophobicContact CB-CG 4.3Å; R24-Y91 HydrophobicContact CG-CD1 3.52Å; R24-Y91 HydrophobicContact CG-CE1 3.42Å; R24-Y91 VanDerWaalsContact CG-CE1 3.42Å; R24-Y91 PolarHBondContact N-O 3.14Å; R24-F93 HydrophobicContact CB-CD2 4.04Å; R24-F93 HydrophobicContact CB-CE2 3.84Å; R24-F93 HydrophobicContact CG-CE2 3.91Å
25H92.1Very high82.7Confident102 Ų10288.8 Ų88.847%0.47243%0.425SS..EExtended strand (participates in β ladder)trans-158.6142.3174-178.969.4000110Y91H25-Y91 PolarHBondContact N-O 2.85Å; H25-Y91 VanDerWaalsContact N-O 3.09Å; H25-Y91 PolarHBondContact O-N 3.07Å; H25-Y91 VanDerWaalsContact O-O 3.12Å
26T94.7Very high84.7Confident33 Ų3382.8 Ų82.820%0.20240%0.399CS..EExtended strand (participates in β ladder)trans-159.5146.8170.8-175.20000109.9I23 M28 R33 L89 L90I23-T26 HydrophobicContact CG2-CG2 3.67Å; T26-M28 PolarHBondContact OG1-N 2.82Å; T26-R33 HydrophobicContact CG2-CG 4.22Å; T26-L89 VanDerWaalsContact CA-O 3.23Å; T26-L89 WeakPolarHBondContact CA-O 3.37Å; T26-L89 WeakPolarHBondContact CB-O 3.31Å; T26-L89 PolarHBondContact OG1-O 3.27Å; T26-L90 HydrophobicContact CG2-CD1 4.47Å
27D93.9Very high86.7Confident48 Ų4876.6 Ų76.626%0.25738%0.378SS..  trans-114.54.6169.268-5.7000112.4H84 K87 N88 L89D27-H84 IonicContact OD2-CD2 2.58Å; D27-H84 IonicContact OD2-NE2 3.48Å; D27-H84 PolarHBondContact OD2-NE2 3.28Å; D27-K87 VanDerWaalsContact CG-CA 3.49Å; D27-K87 VanDerWaalsContact CG-N 3.32Å; D27-K87 VanDerWaalsContact O-CA 3.29Å; D27-K87 WeakPolarHBondContact O-CA 3.34Å; D27-K87 WeakPolarHBondContact OD1-CA 3.36Å; D27-K87 PolarHBondContact OD2-N 2.81Å; D27-N88 PolarHBondContact OD1-N 2.97Å; D27-N88 VanDerWaalsContact OD1-N 3.14Å; D27-L89 PolarHBondContact N-O 3.41Å; D27-L89 WeakPolarHBondContact OD1-CA 3.25Å; D27-L89 WeakPolarHBondContact OD1-CB 3.01Å; D27-L89 PolarHBondContact OD1-N 3.21Å
28M94.4Very high88.6Confident13 Ų1376.1 Ų76.16%0.06437%0.372CS..SBendtrans-65.5147-179.2-70.5-179.5177.100112.5T26 M32 R33 T36 M62 W70 K87 L90T26-M28 PolarHBondContact OG1-N 2.82Å; M28-M32 HydrophobicContact CB-CG 4.46Å; M28-M32 HydrophobicContact CB-SD 4.35Å; M28-M32 HydrophobicContact CG-CG 4.4Å; M28-M32 HydrophobicContact CG-SD 4Å; M28-M32 HydrophobicContact SD-CG 4.01Å; M28-M32 HydrophobicContact SD-SD 4.14Å; M28-R33 HydrophobicContact CB-CB 4.07Å; M28-T36 HydrophobicContact CE-CG2 4.27Å; M28-T36 HydrophobicContact SD-CG2 4.3Å; M28-M62 HydrophobicContact CE-CE 4.35Å; M28-W70 HydrophobicContact CE-CH2 3.77Å; M28-W70 HydrophobicContact CE-CZ3 3.54Å; M28-K87 WeakPolarHBondContact CA-O 3.37Å; M28-L90 HydrophobicContact CE-CB 3.74Å; M28-L90 HydrophobicContact SD-CB 3.81Å
29P93.8Very high90.4Very high64 Ų6475.5 Ų75.542%0.41637%0.37SS..  trans-57.8152.2168.3-18.430.6000111.2E31 M32 R33 K87P29-E31 VanDerWaalsContact C-N 3.33Å; P29-E31 PolarHBondContact O-N 3.39Å; P29-M32 PolarHBondContact O-N 2.83Å; P29-R33 VanDerWaalsContact O-CB 3.29Å; P29-R33 WeakPolarHBondContact O-CB 3.46Å; P29-R33 PolarHBondContact O-N 2.94Å; P29-K87 WeakPolarHBondContact CD-O 3.46Å
30E91.5Very high92.1Very high139 Ų13972.2 Ų72.265%0.6535%0.347SS*.Hα-helixtrans-54.3-45.4-173.7176.1158.1-151.300113.7R33 V34E30-R33 PolarHBondContact O-N 2.86Å; E30-R33 IonicContact OE1-NH2 3.24Å; E30-R33 PolarHBondContact OE1-NH2 3.4Å; E30-V34 WeakPolarHBondContact O-CG2 3.23Å; E30-V34 PolarHBondContact O-N 2.71Å; E30-V34 VanDerWaalsContact O-N 3.07Å
31E91.1Very high93Very high171 Ų17166 Ų6680%0.79932%0.322SS*.Hα-helixtrans-61.4-51.2178.9-62.2179.8171.600111.8P29 R33 V34 E35P29-E31 VanDerWaalsContact C-N 3.33Å; P29-E31 PolarHBondContact O-N 3.39Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.45Å; E31-V34 PolarHBondContact O-N 2.85Å; E31-E35 PolarHBondContact O-N 2.92Å; E31-E35 VanDerWaalsContact O-N 3.16Å
32M93.4Very high93.4Very high26 Ų2668.1 Ų68.113%0.12833%0.334CS..Hα-helixtrans-63.9-38.3178.6179.4-175-81.600111.7M28 P29 E35 T36 F66 W70M28-M32 HydrophobicContact CB-CG 4.46Å; M28-M32 HydrophobicContact CB-SD 4.35Å; M28-M32 HydrophobicContact CG-CG 4.4Å; M28-M32 HydrophobicContact CG-SD 4Å; M28-M32 HydrophobicContact SD-CG 4.01Å; M28-M32 HydrophobicContact SD-SD 4.14Å; P29-M32 PolarHBondContact O-N 2.83Å; M32-E35 PolarHBondContact O-N 3.42Å; M32-T36 VanDerWaalsContact O-CB 3.29Å; M32-T36 WeakPolarHBondContact O-CB 3.29Å; M32-T36 PolarHBondContact O-N 3.39Å; M32-T36 PolarHBondContact O-OG1 2.85Å; M32-F66 HydrophobicContact CE-CB 4.21Å; M32-F66 HydrophobicContact CE-CD1 3.44Å; M32-F66 VanDerWaalsContact CE-CD1 3.44Å; M32-F66 HydrophobicContact CE-CD2 4.37Å; M32-F66 HydrophobicContact CE-CE1 3.77Å; M32-F66 HydrophobicContact CE-CG 3.76Å; M32-F66 HydrophobicContact CE-CZ 4.37Å; M32-F66 HydrophobicContact CG-CE1 4.32Å; M32-F66 HydrophobicContact CG-CE2 4.31Å; M32-F66 HydrophobicContact CG-CZ 4.08Å; M32-W70 HydrophobicContact SD-CH2 4.22Å
33R93.3Very high93.5Very high79 Ų7962.6 Ų62.630%0.29831%0.305SS..Hα-helixtrans-60.9-48.7179176.6-172.366.1-176-2.2111.1I23 T26 M28 P29 E30 E31 M37I23-R33 HydrophobicContact CD1-CG 3.9Å; T26-R33 HydrophobicContact CG2-CG 4.22Å; M28-R33 HydrophobicContact CB-CB 4.07Å; P29-R33 VanDerWaalsContact O-CB 3.29Å; P29-R33 WeakPolarHBondContact O-CB 3.46Å; P29-R33 PolarHBondContact O-N 2.94Å; E30-R33 PolarHBondContact O-N 2.86Å; E30-R33 IonicContact OE1-NH2 3.24Å; E30-R33 PolarHBondContact OE1-NH2 3.4Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.45Å; R33-M37 VanDerWaalsContact O-CB 3.24Å; R33-M37 WeakPolarHBondContact O-CB 3.45Å; R33-M37 PolarHBondContact O-N 3.16Å
34V93.8Very high93.4Very high57 Ų5760 Ų6035%0.34529%0.292SS..Hα-helixtrans-62.4-47.71801730000109.9E30 E31 T36 M37 E38E30-V34 WeakPolarHBondContact O-CG2 3.23Å; E30-V34 PolarHBondContact O-N 2.71Å; E30-V34 VanDerWaalsContact O-N 3.07Å; E31-V34 PolarHBondContact O-N 2.85Å; V34-T36 PolarHBondContact O-N 2.81Å; V34-M37 PolarHBondContact O-N 2.86Å; V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 3.22Å
35E93.7Very high93.3Very high71 Ų7158.4 Ų58.433%0.33229%0.292SS..Hα-helixtrans-64.1-41.8-178.9-171.3169.3-167.900112.7E31 M32 L39 K65 F66E31-E35 PolarHBondContact O-N 2.92Å; E31-E35 VanDerWaalsContact O-N 3.16Å; M32-E35 PolarHBondContact O-N 3.42Å; E35-L39 VanDerWaalsContact O-CB 3.31Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 3.14Å; E35-K65 WeakPolarHBondContact OE1-CD 3.49Å; E35-K65 WeakPolarHBondContact OE1-CE 3.46Å; E35-K65 IonicContact OE1-NZ 3.83Å; E35-K65 PolarHBondContact OE1-NZ 3.25Å; E35-F66 WeakPolarHBondContact OE2-CZ 3.26Å
36T94.9Very high93.4Very high0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-67.2-39.8177.1-52.70000111M28 M32 V34 L39 C40 M62 L90 V102M28-T36 HydrophobicContact CE-CG2 4.27Å; M28-T36 HydrophobicContact SD-CG2 4.3Å; M32-T36 VanDerWaalsContact O-CB 3.29Å; M32-T36 WeakPolarHBondContact O-CB 3.29Å; M32-T36 PolarHBondContact O-N 3.39Å; M32-T36 PolarHBondContact O-OG1 2.85Å; V34-T36 PolarHBondContact O-N 2.81Å; T36-L39 PolarHBondContact O-N 2.76Å; T36-C40 WeakPolarHBondContact O-CB 3.42Å; T36-C40 PolarHBondContact O-N 3.05Å; T36-C40 PolarHBondContact O-SG 2.91Å; T36-M62 HydrophobicContact CG2-CE 3.88Å; T36-M62 HydrophobicContact CG2-SD 3.95Å; T36-M62 VanDerWaalsContact OG1-CE 3.31Å; T36-M62 WeakPolarHBondContact OG1-CE 3.44Å; T36-L90 HydrophobicContact CG2-CD2 3.49Å; T36-L90 VanDerWaalsContact CG2-CD2 3.49Å; T36-V102 HydrophobicContact CG2-CG1 4.31Å
37M94.3Very high93.2Very high45 Ų4561.1 Ų61.122%0.22230%0.299CS..Hα-helixtrans-62-49.3176.4-179.2-171.173.400111.5P21 I23 R33 V34 L39 C40 V41 M92P21-M37 HydrophobicContact CB-CG 3.86Å; P21-M37 HydrophobicContact CB-SD 4.16Å; P21-M37 HydrophobicContact CG-CE 4.38Å; P21-M37 HydrophobicContact CG-CG 3.8Å; P21-M37 HydrophobicContact CG-SD 3.7Å; I23-M37 HydrophobicContact CD1-SD 4.09Å; I23-M37 HydrophobicContact CG1-SD 4.43Å; R33-M37 VanDerWaalsContact O-CB 3.24Å; R33-M37 WeakPolarHBondContact O-CB 3.45Å; R33-M37 PolarHBondContact O-N 3.16Å; V34-M37 PolarHBondContact O-N 2.86Å; M37-L39 VanDerWaalsContact C-N 3.3Å; M37-L39 PolarHBondContact O-N 2.96Å; M37-C40 WeakPolarHBondContact O-CB 3.5Å; M37-C40 PolarHBondContact O-N 3.29Å; M37-V41 WeakPolarHBondContact O-CG2 3.35Å; M37-V41 PolarHBondContact O-N 2.82Å; M37-M92 HydrophobicContact CG-SD 4.27Å
38E93.8Very high92.8Very high115 Ų11562.6 Ų62.654%0.53732%0.318SS..Hα-helixtrans-61-40.1178-72.3-177.6160.700111.9V34 V41 T42V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 3.22Å; E38-V41 PolarHBondContact O-N 3.14Å; E38-T42 WeakPolarHBondContact O-CB 3.45Å; E38-T42 PolarHBondContact O-N 3.18Å; E38-T42 PolarHBondContact O-OG1 2.99Å
39L95.1Very high92.4Very high33 Ų3369 Ų6917%0.17336%0.358CS..Hα-helixtrans-62.5-43.7174.5178.565.4000111.7E35 T36 M37 T42 A43 I58 M62E35-L39 VanDerWaalsContact O-CB 3.31Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 3.14Å; T36-L39 PolarHBondContact O-N 2.76Å; M37-L39 VanDerWaalsContact C-N 3.3Å; M37-L39 PolarHBondContact O-N 2.96Å; L39-T42 PolarHBondContact O-N 3.27Å; L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 3.1Å; L39-I58 HydrophobicContact CD2-CG2 4.14Å; L39-I58 HydrophobicContact CG-CG1 4.36Å; L39-I58 HydrophobicContact CG-CG2 4.49Å; L39-M62 HydrophobicContact CD2-CG 4.03Å; L39-M62 HydrophobicContact CD2-SD 4.01Å
40C94.4Very high92.3Very high0 Ų069 Ų690%036%0.355CS..Hα-helixtrans-62.5-45.7177.2-690000111.5T36 M37 A43 C44 I58 M92 V100T36-C40 WeakPolarHBondContact O-CB 3.42Å; T36-C40 PolarHBondContact O-N 3.05Å; T36-C40 PolarHBondContact O-SG 2.91Å; M37-C40 WeakPolarHBondContact O-CB 3.5Å; M37-C40 PolarHBondContact O-N 3.29Å; C40-A43 PolarHBondContact O-N 2.86Å; C40-C44 WeakPolarHBondContact O-CB 3.45Å; C40-C44 PolarHBondContact O-N 3.1Å; C40-C44 PolarHBondContact O-SG 3.41Å; C40-I58 HydrophobicContact CB-CD1 4.27Å; C40-M92 HydrophobicContact CB-CE 3.71Å; C40-M92 HydrophobicContact CB-SD 3.7Å; C40-V100 HydrophobicContact CB-CG1 4.3Å
41V92.9Very high92.3Very high23 Ų2365.2 Ų65.214%0.13934%0.339CS..Hα-helixtrans-59.1-52.3176.1171.90000110.3P21 M37 E38 A43 C44 E45 M92 F94P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.66Å; M37-V41 WeakPolarHBondContact O-CG2 3.35Å; M37-V41 PolarHBondContact O-N 2.82Å; E38-V41 PolarHBondContact O-N 3.14Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.3Å; V41-C44 PolarHBondContact O-N 2.95Å; V41-C44 VanDerWaalsContact O-N 3.17Å; V41-E45 HydrophobicContact CG1-CG 4.29Å; V41-E45 WeakPolarHBondContact O-CG 3.4Å; V41-E45 PolarHBondContact O-N 3.48Å; V41-M92 HydrophobicContact CG2-CE 4.3Å; V41-F94 HydrophobicContact CB-CE2 4.45Å; V41-F94 HydrophobicContact CG1-CE2 3.95Å; V41-F94 HydrophobicContact CG2-CD2 4.18Å; V41-F94 HydrophobicContact CG2-CE2 4.28Å
42T93.5Very high92.4Very high77 Ų7764.7 Ų64.747%0.47234%0.336SS..Hα-helixtrans-57.9-43.3-178.8-55.90000111.7E38 L39 K46E38-T42 WeakPolarHBondContact O-CB 3.45Å; E38-T42 PolarHBondContact O-N 3.18Å; E38-T42 PolarHBondContact O-OG1 2.99Å; L39-T42 PolarHBondContact O-N 3.27Å; T42-K46 WeakPolarHBondContact O-CB 3.31Å; T42-K46 PolarHBondContact O-N 3.28Å
43A93.8Very high92.5Very high0 Ų065.3 Ų65.30%034%0.343CS..Hα-helixtrans-68.1-41.4179.200000112.2L39 C40 V41 K46 F47 A54 M57 I58L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 3.1Å; C40-A43 PolarHBondContact O-N 2.86Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.3Å; A43-K46 PolarHBondContact O-N 2.97Å; A43-F47 WeakPolarHBondContact O-CD2 3.31Å; A43-F47 PolarHBondContact O-N 3.42Å; A43-A54 HydrophobicContact CB-CB 4.3Å; A43-M57 HydrophobicContact CB-CG 4.31Å; A43-M57 HydrophobicContact CB-SD 4.03Å; A43-I58 HydrophobicContact CB-CD1 3.87Å; A43-I58 HydrophobicContact CB-CG1 3.53Å
44C91.1Very high92.5Very high4 Ų461.5 Ų61.53%0.02733%0.329CS..Hα-helixtrans-68.5-38.1178.3-65.90000112.1C40 V41 F47 A48 F94 L98C40-C44 WeakPolarHBondContact O-CB 3.45Å; C40-C44 PolarHBondContact O-N 3.1Å; C40-C44 PolarHBondContact O-SG 3.41Å; V41-C44 PolarHBondContact O-N 2.95Å; V41-C44 VanDerWaalsContact O-N 3.17Å; C44-F47 CarbonylContact O-C 3.57Å; C44-A48 VanDerWaalsContact O-CA 3.27Å; C44-A48 WeakPolarHBondContact O-CA 3.22Å; C44-A48 PolarHBondContact O-N 3.17Å; C44-A48 VanDerWaalsContact O-N 3.14Å; C44-F94 HydrophobicContact CB-CD1 3.44Å; C44-F94 VanDerWaalsContact CB-CD1 3.44Å; C44-F94 HydrophobicContact CB-CE1 3.58Å; C44-F94 HydrophobicContact CB-CG 4.1Å; C44-F94 HydrophobicContact CB-CZ 4.34Å; C44-L98 HydrophobicContact CB-CD2 4.34Å
45E90.5Very high92.6Very high127 Ų12759.6 Ų59.659%0.59332%0.319SS*.Hα-helixtrans-67.2-42.9174.3-71.6-176145.100111.7V41 F94V41-E45 HydrophobicContact CG1-CG 4.29Å; V41-E45 WeakPolarHBondContact O-CG 3.4Å; V41-E45 PolarHBondContact O-N 3.48Å; E45-F94 HydrophobicContact CG-CE1 4.43Å; E45-F94 HydrophobicContact CG-CE2 4.42Å; E45-F94 HydrophobicContact CG-CZ 3.66Å
46K92.6Very high92.8Very high137 Ų13762.2 Ų62.260%0.59633%0.33SS*.Hα-helixtrans-68-36-179.2-175.6172-178.3173.20112.9T42 A43 M57T42-K46 WeakPolarHBondContact O-CB 3.31Å; T42-K46 PolarHBondContact O-N 3.28Å; A43-K46 PolarHBondContact O-N 2.97Å; K46-M57 HydrophobicContact CD-CE 3.94Å; K46-M57 HydrophobicContact CD-SD 4.34Å
47F91.9Very high92.8Very high54 Ų5464.5 Ų64.524%0.23734%0.341CS..THydrogen-bonded Turntrans-121.646.7-176.1-55.5-75.3000112A43 C44 T49 N50 A54 M57A43-F47 WeakPolarHBondContact O-CD2 3.31Å; A43-F47 PolarHBondContact O-N 3.42Å; C44-F47 CarbonylContact O-C 3.57Å; F47-T49 PolarHBondContact O-N 3.03Å; F47-N50 WeakPolarHBondContact CB-O 3.47Å; F47-N50 CarbonylContact O-C 3.56Å; F47-N50 PolarHBondContact O-N 2.91Å; F47-A54 HydrophobicContact CB-CB 4.03Å; F47-A54 HydrophobicContact CD2-CB 4.38Å; F47-M57 HydrophobicContact CD2-SD 4.47Å; F47-M57 HydrophobicContact CE2-CB 4.08Å; F47-M57 HydrophobicContact CE2-CE 3.83Å; F47-M57 HydrophobicContact CE2-SD 3.74Å; F47-M57 HydrophobicContact CZ-CE 4.26Å
48A84Confident92.9Very high79 Ų7962.4 Ų62.465%0.65333%0.33SS*.THydrogen-bonded Turntrans-55.7-23.3-176.200000115.1C44C44-A48 VanDerWaalsContact O-CA 3.27Å; C44-A48 WeakPolarHBondContact O-CA 3.22Å; C44-A48 PolarHBondContact O-N 3.17Å; C44-A48 VanDerWaalsContact O-N 3.14Å
49T86.7Confident93Very high147 Ų14761 Ų6190%0.90232%0.323SS*.THydrogen-bonded Turntrans-104.7-4.7178.256.60000113.8F47F47-T49 PolarHBondContact O-N 3.03Å
50N91.7Very high93Very high66 Ų6664.7 Ų64.735%0.35334%0.339SS..  trans-13787-175.5-169.4-28.2000111.4F47 E52 S53 A54F47-N50 WeakPolarHBondContact CB-O 3.47Å; F47-N50 CarbonylContact O-C 3.56Å; F47-N50 PolarHBondContact O-N 2.91Å; N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 WeakPolarHBondContact OD1-CB 3.24Å; N50-E52 PolarHBondContact OD1-N 2.93Å; N50-S53 VanDerWaalsContact CG-OG 3.24Å; N50-S53 PolarHBondContact ND2-OG 2.99Å; N50-S53 VanDerWaalsContact ND2-OG 3.17Å; N50-S53 PolarHBondContact O-N 3.46Å; N50-S53 PolarHBondContact OD1-N 3.4Å; N50-S53 PolarHBondContact OD1-OG 3.38Å; N50-A54 PolarHBondContact O-N 2.58Å; N50-A54 VanDerWaalsContact O-N 3.14Å
51N91.7Very high93.1Very high58 Ų5866.5 Ų66.531%0.3135%0.351SS..Hα-helixtrans-59.4-32.9179.2-65.1-17.3000112.9A54 A55 I74N51-A54 PolarHBondContact O-N 2.92Å; N51-A55 WeakPolarHBondContact O-CB 3.45Å; N51-A55 PolarHBondContact O-N 3.05Å; N51-I74 HydrophobicContact CB-CB 4.24Å; N51-I74 HydrophobicContact CB-CG2 4.07Å
52E93.6Very high93.2Very high160 Ų16065.5 Ų65.575%0.74835%0.345SS*.Hα-helixtrans-65.5-42.7178.5-173.2-177.1-176.700111.1N50 A55 K56N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 WeakPolarHBondContact OD1-CB 3.24Å; N50-E52 PolarHBondContact OD1-N 2.93Å; E52-A55 PolarHBondContact O-N 2.92Å; E52-K56 WeakPolarHBondContact O-CB 3.23Å; E52-K56 PolarHBondContact O-N 3.45Å
53S94.4Very high93.3Very high39 Ų3963.9 Ų63.927%0.27333%0.334SS..Hα-helixtrans-67.4-39.1176.9-63.70000112.1N50 M57N50-S53 VanDerWaalsContact CG-OG 3.24Å; N50-S53 PolarHBondContact ND2-OG 2.99Å; N50-S53 VanDerWaalsContact ND2-OG 3.17Å; N50-S53 PolarHBondContact O-N 3.46Å; N50-S53 PolarHBondContact OD1-N 3.4Å; N50-S53 PolarHBondContact OD1-OG 3.38Å; S53-M57 PolarHBondContact O-N 3.46Å
54A95.3Very high93.3Very high0 Ų072.8 Ų72.80%037%0.373CS..Hα-helixtrans-60.3-50.8172.400000111.4A43 F47 N50 N51 K56 M57 I58 I74A43-A54 HydrophobicContact CB-CB 4.3Å; F47-A54 HydrophobicContact CB-CB 4.03Å; F47-A54 HydrophobicContact CD2-CB 4.38Å; N50-A54 PolarHBondContact O-N 2.58Å; N50-A54 VanDerWaalsContact O-N 3.14Å; N51-A54 PolarHBondContact O-N 2.92Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.06Å; A54-M57 PolarHBondContact O-N 2.89Å; A54-I58 WeakPolarHBondContact O-CG1 3.29Å; A54-I58 PolarHBondContact O-N 3.22Å; A54-I74 HydrophobicContact CB-CD1 3.55Å
55A95.7Very high93.4Very high17 Ų1778.6 Ų78.614%0.1440%0.397CS..Hα-helixtrans-60.8-41.8-179.200000111.7N51 E52 I58 K59 V72 I74N51-A55 WeakPolarHBondContact O-CB 3.45Å; N51-A55 PolarHBondContact O-N 3.05Å; E52-A55 PolarHBondContact O-N 2.92Å; A55-I58 PolarHBondContact O-N 3.46Å; A55-K59 WeakPolarHBondContact O-CB 3.49Å; A55-K59 PolarHBondContact O-N 3.37Å; A55-V72 HydrophobicContact CB-CB 4.24Å; A55-V72 HydrophobicContact CB-CG1 3.91Å; A55-I74 HydrophobicContact CB-CD1 3.98Å; A55-I74 HydrophobicContact CB-CG1 4.18Å
56K96.2Very high93.4Very high126 Ų12675.3 Ų75.355%0.54838%0.381SS..Hα-helixtrans-60.7-47.3175.7-177.4176.21761790112E52 A54 I58 K59 E60E52-K56 WeakPolarHBondContact O-CB 3.23Å; E52-K56 PolarHBondContact O-N 3.45Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.06Å; K56-I58 VanDerWaalsContact C-N 3.35Å; K56-I58 PolarHBondContact O-N 2.98Å; K56-K59 PolarHBondContact O-N 2.85Å; K56-E60 WeakPolarHBondContact CE-OE1 3.35Å; K56-E60 HydrophobicContact CG-CG 4.34Å; K56-E60 IonicContact NZ-OE1 2.73Å; K56-E60 WeakPolarHBondContact O-CB 3.35Å; K56-E60 WeakPolarHBondContact O-CG 3.47Å; K56-E60 PolarHBondContact O-N 2.79Å
57M96.3Very high93.3Very high48 Ų4870.5 Ų70.524%0.23637%0.371CS..Hα-helixtrans-59.6-45178.2168.7174.8-89.100112A43 K46 F47 S53 A54 S61A43-M57 HydrophobicContact CB-CG 4.31Å; A43-M57 HydrophobicContact CB-SD 4.03Å; K46-M57 HydrophobicContact CD-CE 3.94Å; K46-M57 HydrophobicContact CD-SD 4.34Å; F47-M57 HydrophobicContact CD2-SD 4.47Å; F47-M57 HydrophobicContact CE2-CB 4.08Å; F47-M57 HydrophobicContact CE2-CE 3.83Å; F47-M57 HydrophobicContact CE2-SD 3.74Å; F47-M57 HydrophobicContact CZ-CE 4.26Å; S53-M57 PolarHBondContact O-N 3.46Å; A54-M57 PolarHBondContact O-N 2.89Å; M57-S61 WeakPolarHBondContact O-CB 3.48Å; M57-S61 PolarHBondContact O-N 3.11Å; M57-S61 VanDerWaalsContact O-N 3.11Å; M57-S61 PolarHBondContact O-OG 3Å
58I96Very high93.3Very high0 Ų072 Ų720%039%0.388CS..Hα-helixtrans-63.6-50.1179.6-62.8165.1000109.3L39 C40 A43 A54 A55 K56 E60 S61 M62 V72 I74 V100 V102L39-I58 HydrophobicContact CD2-CG2 4.14Å; L39-I58 HydrophobicContact CG-CG1 4.36Å; L39-I58 HydrophobicContact CG-CG2 4.49Å; C40-I58 HydrophobicContact CB-CD1 4.27Å; A43-I58 HydrophobicContact CB-CD1 3.87Å; A43-I58 HydrophobicContact CB-CG1 3.53Å; A54-I58 WeakPolarHBondContact O-CG1 3.29Å; A54-I58 PolarHBondContact O-N 3.22Å; A55-I58 PolarHBondContact O-N 3.46Å; K56-I58 VanDerWaalsContact C-N 3.35Å; K56-I58 PolarHBondContact O-N 2.98Å; I58-E60 PolarHBondContact O-N 3.25Å; I58-S61 PolarHBondContact O-N 2.87Å; I58-M62 HydrophobicContact CG2-CG 4.17Å; I58-M62 WeakPolarHBondContact O-CB 3.35Å; I58-M62 VanDerWaalsContact O-CG 3.26Å; I58-M62 WeakPolarHBondContact O-CG 3.36Å; I58-M62 PolarHBondContact O-N 3.45Å; I58-V72 HydrophobicContact CB-CG1 4.24Å; I58-V72 HydrophobicContact CB-CG2 4.13Å; I58-V72 HydrophobicContact CD1-CG1 4.19Å; I58-V72 HydrophobicContact CG2-CG1 4.27Å; I58-V72 HydrophobicContact CG2-CG2 3.79Å; I58-I74 HydrophobicContact CD1-CD1 3.89Å; I58-V100 HydrophobicContact CD1-CG1 4.4Å; I58-V102 HydrophobicContact CG2-CG2 4.06Å
59K95.7Very high93.8Very high86 Ų8670.7 Ų70.737%0.37437%0.374SS..Hα-helixtrans-55.5-53.6179175.1175.9175.31690112A55 K56 S61 M62 D63 W70 V72A55-K59 WeakPolarHBondContact O-CB 3.49Å; A55-K59 PolarHBondContact O-N 3.37Å; K56-K59 PolarHBondContact O-N 2.85Å; K59-S61 PolarHBondContact O-N 3.11Å; K59-M62 PolarHBondContact O-N 2.94Å; K59-D63 WeakPolarHBondContact CE-OD2 3.48Å; K59-D63 WeakPolarHBondContact CG-OD2 3.31Å; K59-D63 WeakPolarHBondContact O-CB 3.45Å; K59-D63 PolarHBondContact O-N 3.42Å; K59-W70 WeakPolarHBondContact CD-O 3.41Å; K59-W70 VanDerWaalsContact CE-O 3.23Å; K59-W70 WeakPolarHBondContact CE-O 3.34Å; K59-V72 HydrophobicContact CB-CG2 3.9Å
60E95.9Very high94.2Very high111 Ų11163.7 Ų63.752%0.51933%0.331SS..Hα-helixtrans-60.5-36.5-178-73.6178.4168.100112K56 I58 K64K56-E60 WeakPolarHBondContact CE-OE1 3.35Å; K56-E60 HydrophobicContact CG-CG 4.34Å; K56-E60 IonicContact NZ-OE1 2.73Å; K56-E60 WeakPolarHBondContact O-CB 3.35Å; K56-E60 WeakPolarHBondContact O-CG 3.47Å; K56-E60 PolarHBondContact O-N 2.79Å; I58-E60 PolarHBondContact O-N 3.25Å; E60-K64 VanDerWaalsContact O-CB 3.29Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.94Å; E60-K64 VanDerWaalsContact O-N 3.1Å
61S95.7Very high94.4Very high37 Ų3764 Ų6426%0.25933%0.33SS..Hα-helixtrans-71.9-40.7178.7-59.40000112M57 I58 K59 K64 K65M57-S61 WeakPolarHBondContact O-CB 3.48Å; M57-S61 PolarHBondContact O-N 3.11Å; M57-S61 VanDerWaalsContact O-N 3.11Å; M57-S61 PolarHBondContact O-OG 3Å; I58-S61 PolarHBondContact O-N 2.87Å; K59-S61 PolarHBondContact O-N 3.11Å; S61-K64 PolarHBondContact O-N 3.44Å; S61-K65 PolarHBondContact O-N 3.41Å; S61-K65 VanDerWaalsContact O-N 3.14Å
62M95.1Very high94.6Very high2 Ų262.3 Ų62.31%0.0132%0.322CS..Hα-helixtrans-67.7-45.7175.7-67.5-62.7-7400111.4M28 T36 L39 I58 K59 K64 K65 F66 W70 V102M28-M62 HydrophobicContact CE-CE 4.35Å; T36-M62 HydrophobicContact CG2-CE 3.88Å; T36-M62 HydrophobicContact CG2-SD 3.95Å; T36-M62 VanDerWaalsContact OG1-CE 3.31Å; T36-M62 WeakPolarHBondContact OG1-CE 3.44Å; L39-M62 HydrophobicContact CD2-CG 4.03Å; L39-M62 HydrophobicContact CD2-SD 4.01Å; I58-M62 HydrophobicContact CG2-CG 4.17Å; I58-M62 WeakPolarHBondContact O-CB 3.35Å; I58-M62 VanDerWaalsContact O-CG 3.26Å; I58-M62 WeakPolarHBondContact O-CG 3.36Å; I58-M62 PolarHBondContact O-N 3.45Å; K59-M62 PolarHBondContact O-N 2.94Å; M62-K64 PolarHBondContact O-N 3.48Å; M62-K65 PolarHBondContact O-N 3.19Å; M62-F66 HydrophobicContact CE-CD2 3.6Å; M62-F66 HydrophobicContact CE-CE2 3.93Å; M62-F66 PolarHBondContact O-N 3.01Å; M62-F66 HydrophobicContact SD-CD2 3.71Å; M62-F66 HydrophobicContact SD-CE2 3.75Å; M62-W70 HydrophobicContact CB-CB 4.06Å; M62-W70 HydrophobicContact CB-CD2 3.73Å; M62-W70 HydrophobicContact CB-CE3 4.33Å; M62-W70 HydrophobicContact CB-CG 3.57Å; M62-W70 HydrophobicContact CE-CD2 3.99Å; M62-W70 HydrophobicContact CE-CE3 3.79Å; M62-W70 HydrophobicContact CE-CH2 3.35Å; M62-W70 HydrophobicContact CE-CZ2 3.57Å; M62-W70 HydrophobicContact CE-CZ3 3.48Å; M62-W70 VanDerWaalsContact CE-CZ3 3.48Å; M62-W70 HydrophobicContact CG-CD2 4.42Å; M62-V102 HydrophobicContact CE-CG1 4.49Å
63D94.9Very high94.7Very high44 Ų4457.3 Ų57.324%0.23530%0.302CS..Hα-helixtrans-57.1-38.6176.1-80.7-27.5000111.4K59 G67 S68 S69 W70K59-D63 WeakPolarHBondContact CE-OD2 3.48Å; K59-D63 WeakPolarHBondContact CG-OD2 3.31Å; K59-D63 WeakPolarHBondContact O-CB 3.45Å; K59-D63 PolarHBondContact O-N 3.42Å; D63-G67 VanDerWaalsContact CA-O 3.31Å; D63-G67 WeakPolarHBondContact CA-O 3.05Å; D63-G67 CarbonylContact O-C 3.59Å; D63-G67 VanDerWaalsContact O-C 3.29Å; D63-G67 WeakPolarHBondContact O-CA 3.49Å; D63-G67 PolarHBondContact O-N 3.09Å; D63-S68 WeakPolarHBondContact OD1-CA 3.42Å; D63-S69 PolarHBondContact OD1-N 3.19Å; D63-W70 WeakPolarHBondContact OD1-CB 3.31Å; D63-W70 PolarHBondContact OD1-N 3.43Å
64K94.8Very high94.7Very high187 Ų18756.5 Ų56.581%0.81329%0.294SS*.Hα-helixtrans-72.3-36.6179-175.1176.3179.71800113.5E60 S61 M62E60-K64 VanDerWaalsContact O-CB 3.29Å; E60-K64 WeakPolarHBondContact O-CB 3.39Å; E60-K64 PolarHBondContact O-N 2.94Å; E60-K64 VanDerWaalsContact O-N 3.1Å; S61-K64 PolarHBondContact O-N 3.44Å; M62-K64 PolarHBondContact O-N 3.48Å
65K93.1Very high94.6Very high126 Ų12657 Ų5755%0.54830%0.3SS..Hα-helixtrans-89.9-40.7-174.9-74.8-174.7178.3-179.30113.3E35 S61 M62E35-K65 WeakPolarHBondContact OE1-CD 3.49Å; E35-K65 WeakPolarHBondContact OE1-CE 3.46Å; E35-K65 IonicContact OE1-NZ 3.83Å; E35-K65 PolarHBondContact OE1-NZ 3.25Å; S61-K65 PolarHBondContact O-N 3.41Å; S61-K65 VanDerWaalsContact O-N 3.14Å; M62-K65 PolarHBondContact O-N 3.19Å
66F90.3Very high94.4Very high57 Ų5763.4 Ų63.425%0.2533%0.327CS..Hα-helixtrans-117.814.8-167.6-56.2-65.6000113.2M32 E35 M62 W70M32-F66 HydrophobicContact CE-CB 4.21Å; M32-F66 HydrophobicContact CE-CD1 3.44Å; M32-F66 VanDerWaalsContact CE-CD1 3.44Å; M32-F66 HydrophobicContact CE-CD2 4.37Å; M32-F66 HydrophobicContact CE-CE1 3.77Å; M32-F66 HydrophobicContact CE-CG 3.76Å; M32-F66 HydrophobicContact CE-CZ 4.37Å; M32-F66 HydrophobicContact CG-CE1 4.32Å; M32-F66 HydrophobicContact CG-CE2 4.31Å; M32-F66 HydrophobicContact CG-CZ 4.08Å; E35-F66 WeakPolarHBondContact OE2-CZ 3.26Å; M62-F66 HydrophobicContact CE-CD2 3.6Å; M62-F66 HydrophobicContact CE-CE2 3.93Å; M62-F66 PolarHBondContact O-N 3.01Å; M62-F66 HydrophobicContact SD-CD2 3.71Å; M62-F66 HydrophobicContact SD-CE2 3.75Å; F66-W70 HydrophobicContact CB-CZ2 3.75Å; F66-W70 HydrophobicContact CD2-CZ2 4.45Å; F66-W70 HydrophobicContact CG-CZ2 4.39Å
67G91.2Very high94Very high37 Ų3760.8 Ų60.838%0.38134%0.335SS..  trans84.4165.5-177.900000112.4D63 W70D63-G67 VanDerWaalsContact CA-O 3.31Å; D63-G67 WeakPolarHBondContact CA-O 3.05Å; D63-G67 CarbonylContact O-C 3.59Å; D63-G67 VanDerWaalsContact O-C 3.29Å; D63-G67 WeakPolarHBondContact O-CA 3.49Å; D63-G67 PolarHBondContact O-N 3.09Å; G67-W70 PolarHBondContact O-NE1 3.49Å
68S92.1Very high93.9Very high86 Ų8661.2 Ų61.260%0.60134%0.336SS*.SBendtrans-70.8170.8-171.656.30000114.1D63 K104D63-S68 WeakPolarHBondContact OD1-CA 3.42Å; S68-K104 WeakPolarHBondContact O-CE 3.39Å
69S93.5Very high93.6Very high50 Ų5064.9 Ų64.935%0.3537%0.374SS..  trans84.828.1172.3-42.30000114.7D63 H71 C105D63-S69 PolarHBondContact OD1-N 3.19Å; S69-H71 PolarHBondContact O-CE1 2.94Å; S69-H71 PolarHBondContact O-ND1 3.3Å; S69-H71 VanDerWaalsContact O-ND1 3.11Å; S69-C105 PolarHBondContact O-N 3.31Å
70W95.8Very high93.4Very high0 Ų064.5 Ų64.50%037%0.373CS..EExtended strand (participates in β ladder)trans-78.1143.9167.8-69.487.3000112.2M28 M32 K59 M62 D63 F66 G67 N88 V102 W103 K104M28-W70 HydrophobicContact CE-CH2 3.77Å; M28-W70 HydrophobicContact CE-CZ3 3.54Å; M32-W70 HydrophobicContact SD-CH2 4.22Å; K59-W70 WeakPolarHBondContact CD-O 3.41Å; K59-W70 VanDerWaalsContact CE-O 3.23Å; K59-W70 WeakPolarHBondContact CE-O 3.34Å; M62-W70 HydrophobicContact CB-CB 4.06Å; M62-W70 HydrophobicContact CB-CD2 3.73Å; M62-W70 HydrophobicContact CB-CE3 4.33Å; M62-W70 HydrophobicContact CB-CG 3.57Å; M62-W70 HydrophobicContact CE-CD2 3.99Å; M62-W70 HydrophobicContact CE-CE3 3.79Å; M62-W70 HydrophobicContact CE-CH2 3.35Å; M62-W70 HydrophobicContact CE-CZ2 3.57Å; M62-W70 HydrophobicContact CE-CZ3 3.48Å; M62-W70 VanDerWaalsContact CE-CZ3 3.48Å; M62-W70 HydrophobicContact CG-CD2 4.42Å; D63-W70 WeakPolarHBondContact OD1-CB 3.31Å; D63-W70 PolarHBondContact OD1-N 3.43Å; F66-W70 HydrophobicContact CB-CZ2 3.75Å; F66-W70 HydrophobicContact CD2-CZ2 4.45Å; F66-W70 HydrophobicContact CG-CZ2 4.39Å; G67-W70 PolarHBondContact O-NE1 3.49Å; W70-N88 HydrophobicContact CH2-CB 3.76Å; W70-N88 HydrophobicContact CZ2-CB 4.45Å; W70-N88 HydrophobicContact CZ3-CB 4.22Å; W70-N88 WeakPolarHBondContact CZ3-O 3.16Å; W70-V102 HydrophobicContact CE3-CG1 3.64Å; W70-V102 HydrophobicContact CZ3-CG1 3.88Å; W70-W103 WeakPolarHBondContact CA-O 3.5Å; W70-K104 HydrophobicContact CD2-CB 4.05Å; W70-K104 HydrophobicContact CD2-CD 4.37Å; W70-K104 HydrophobicContact CD2-CG 4.45Å; W70-K104 HydrophobicContact CE3-CB 4.04Å; W70-K104 HydrophobicContact CH2-CB 4.18Å; W70-K104 HydrophobicContact CZ2-CB 4.19Å; W70-K104 HydrophobicContact CZ2-CD 3.78Å; W70-K104 HydrophobicContact CZ3-CB 4.11Å
71H95.6Very high93.2Very high74 Ų7467.7 Ų67.734%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-126.5139.7176.8-64.576.6000108.4S69 V102 W103 C105S69-H71 PolarHBondContact O-CE1 2.94Å; S69-H71 PolarHBondContact O-ND1 3.3Å; S69-H71 VanDerWaalsContact O-ND1 3.11Å; H71-V102 WeakPolarHBondContact O-CA 3.17Å; H71-W103 HydrophobicContact CB-CD2 3.87Å; H71-W103 VanDerWaalsContact CB-CE2 3.46Å; H71-W103 HydrophobicContact CB-CE3 4.23Å; H71-W103 HydrophobicContact CB-CG 4.49Å; H71-W103 HydrophobicContact CB-CH2 3.91Å; H71-W103 HydrophobicContact CB-CZ2 3.49Å; H71-W103 VanDerWaalsContact CB-CZ2 3.49Å; H71-W103 HydrophobicContact CB-CZ3 4.25Å; H71-W103 PolarHBondContact N-O 3.03Å; H71-W103 PolarHBondContact O-N 3.3Å; H71-C105 VanDerWaalsContact CE1-SG 3.51Å; H71-C105 PolarHBondContact ND1-SG 3.17Å; H71-C105 VanDerWaalsContact ND1-SG 3.37Å
72V96.4Very high93Very high22 Ų2268 Ų6813%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-136.7131.4-176.5-177.10000108.7A55 I58 K59 I74 C101 V102A55-V72 HydrophobicContact CB-CB 4.24Å; A55-V72 HydrophobicContact CB-CG1 3.91Å; I58-V72 HydrophobicContact CB-CG1 4.24Å; I58-V72 HydrophobicContact CB-CG2 4.13Å; I58-V72 HydrophobicContact CD1-CG1 4.19Å; I58-V72 HydrophobicContact CG2-CG1 4.27Å; I58-V72 HydrophobicContact CG2-CG2 3.79Å; K59-V72 HydrophobicContact CB-CG2 3.9Å; V72-I74 HydrophobicContact CG1-CD1 4.4Å; V72-I74 HydrophobicContact CG1-CG1 4.1Å; V72-C101 CarbonylContact C-O 3.41Å; V72-C101 WeakPolarHBondContact CA-O 3.41Å; V72-V102 HydrophobicContact CG1-CG2 4.14Å; V72-V102 HydrophobicContact CG2-CG1 4.18Å; V72-V102 HydrophobicContact CG2-CG2 4.19Å
73V95.7Very high92.8Very high55 Ų5574 Ų7433%0.33343%0.425SS..EExtended strand (participates in β ladder)trans-126.9129.6174.5176.10000108.4F78 V100 C101 W103V73-F78 HydrophobicContact CG1-CD1 4.1Å; V73-F78 HydrophobicContact CG1-CD2 4.2Å; V73-F78 HydrophobicContact CG1-CE1 4.1Å; V73-F78 HydrophobicContact CG1-CE2 4.22Å; V73-F78 HydrophobicContact CG1-CG 4.14Å; V73-F78 HydrophobicContact CG1-CZ 4.17Å; V73-V100 WeakPolarHBondContact O-CA 3.35Å; V73-C101 PolarHBondContact N-O 2.92Å; V73-C101 PolarHBondContact O-N 3.14Å; V73-W103 HydrophobicContact CB-CZ3 4.24Å; V73-W103 HydrophobicContact CG2-CH2 3.58Å; V73-W103 HydrophobicContact CG2-CZ3 3.67Å
74I94.7Very high92.7Very high21 Ų2174.6 Ų74.611%0.10843%0.426CS..EExtended strand (participates in β ladder)trans-129.2130.4177.2-57178.9000108.3N51 A54 A55 I58 V72 L98 A99 V100N51-I74 HydrophobicContact CB-CB 4.24Å; N51-I74 HydrophobicContact CB-CG2 4.07Å; A54-I74 HydrophobicContact CB-CD1 3.55Å; A55-I74 HydrophobicContact CB-CD1 3.98Å; A55-I74 HydrophobicContact CB-CG1 4.18Å; I58-I74 HydrophobicContact CD1-CD1 3.89Å; V72-I74 HydrophobicContact CG1-CD1 4.4Å; V72-I74 HydrophobicContact CG1-CG1 4.1Å; I74-L98 HydrophobicContact CG2-CD1 3.78Å; I74-L98 HydrophobicContact CG2-CD2 3.69Å; I74-L98 HydrophobicContact CG2-CG 3.7Å; I74-A99 WeakPolarHBondContact CA-O 3.41Å; I74-V100 HydrophobicContact CG1-CG1 4.13Å; I74-V100 HydrophobicContact CG1-CG2 4.21Å; I74-V100 HydrophobicContact CG2-CG2 4.33Å
75G92.7Very high92.5Very high12 Ų1269 Ų6912%0.12440%0.403CS..EExtended strand (participates in β ladder)trans-179.5165177.100000113.1G77 A99G75-G77 VanDerWaalsContact C-N 3.35Å; G75-A99 PolarHBondContact N-O 3.42Å; G75-A99 WeakPolarHBondContact O-CB 3.27Å; G75-A99 PolarHBondContact O-N 3.46Å
76E90.9Very high92.4Very high151 Ų15168.2 Ų68.271%0.70641%0.408SS*.SBendtrans-79.4-20.9-179.6-61.9-178167.100113S97 L98E76-S97 WeakPolarHBondContact CA-O 3.42Å; E76-L98 HydrophobicContact CG-CD1 4.25Å
77G88.9Confident92.5Very high70 Ų7071.7 Ų71.772%0.72242%0.423SS*.SBendtrans-154.4116.2178.700000111.3G75G75-G77 VanDerWaalsContact C-N 3.35Å
78F92.1Very high92.7Very high58 Ų5870.7 Ų70.725%0.25441%0.409SS..  trans-155.2152.9169.759.2-92.1000109.9V73 F80 Y91 A99 C101V73-F78 HydrophobicContact CG1-CD1 4.1Å; V73-F78 HydrophobicContact CG1-CD2 4.2Å; V73-F78 HydrophobicContact CG1-CE1 4.1Å; V73-F78 HydrophobicContact CG1-CE2 4.22Å; V73-F78 HydrophobicContact CG1-CG 4.14Å; V73-F78 HydrophobicContact CG1-CZ 4.17Å; F78-F80 AromaticContact CD2-CD1 3.92Å; F78-F80 HydrophobicContact CD2-CD1 3.92Å; F78-F80 AromaticContact CE2-CD1 3.63Å; F78-F80 HydrophobicContact CE2-CD1 3.63Å; F78-F80 HydrophobicContact CE2-CE1 4.11Å; F78-Y91 HydrophobicContact CE2-CE2 4.24Å; F78-Y91 HydrophobicContact CZ-CE2 4.12Å; F78-A99 HydrophobicContact CD1-CB 4.37Å; F78-A99 HydrophobicContact CE1-CB 3.44Å; F78-A99 VanDerWaalsContact CE1-CB 3.44Å; F78-A99 WeakPolarHBondContact CE1-O 3.34Å; F78-A99 HydrophobicContact CZ-CB 3.67Å; F78-C101 HydrophobicContact CE2-CB 3.87Å; F78-C101 HydrophobicContact CZ-CB 3.95Å
79G90.8Very high92.8Very high77 Ų7767 Ų6779%0.79438%0.383SS*.  trans-110.5146.7162.100000108.4
80F90.8Very high92.9Very high78 Ų7864.7 Ų64.734%0.34237%0.366SS..  trans-139.4143.6176.471-84.2000110.6F78 V82 L89 Y91 C101F78-F80 AromaticContact CD2-CD1 3.92Å; F78-F80 HydrophobicContact CD2-CD1 3.92Å; F78-F80 AromaticContact CE2-CD1 3.63Å; F78-F80 HydrophobicContact CE2-CD1 3.63Å; F78-F80 HydrophobicContact CE2-CE1 4.11Å; F80-V82 HydrophobicContact CD2-CG1 4.34Å; F80-V82 HydrophobicContact CD2-CG2 4.04Å; F80-V82 HydrophobicContact CE2-CG2 4.36Å; F80-L89 HydrophobicContact CE2-CD1 4.44Å; F80-Y91 HydrophobicContact CE1-CD1 4.4Å; F80-Y91 AromaticContact CE1-CD2 3.88Å; F80-Y91 HydrophobicContact CE1-CD2 3.88Å; F80-Y91 HydrophobicContact CE1-CE2 4.01Å; F80-Y91 HydrophobicContact CE1-CG 4.1Å; F80-Y91 HydrophobicContact CZ-CD2 4.29Å; F80-Y91 HydrophobicContact CZ-CG 4.15Å; F80-C101 HydrophobicContact CE1-CB 4.28Å; F80-C101 VanDerWaalsContact CE2-SG 3.56Å; F80-C101 WeakPolarHBondContact CZ-SG 3.32Å
81E92.4Very high92.9Very high178 Ų17866.6 Ų66.683%0.83237%0.374SS*.  trans-134.5115.2167.6-171-111.1142.800105.2
82V91.2Very high92.9Very high43 Ų4363.1 Ų63.126%0.26136%0.357SS..  trans-136.3146.4-174.7-60.80000109.8F80 W103F80-V82 HydrophobicContact CD2-CG1 4.34Å; F80-V82 HydrophobicContact CD2-CG2 4.04Å; F80-V82 HydrophobicContact CE2-CG2 4.36Å; V82-W103 HydrophobicContact CG1-CH2 4.43Å; V82-W103 HydrophobicContact CG1-CZ2 3.87Å; V82-W103 HydrophobicContact CG2-CD2 4.26Å; V82-W103 HydrophobicContact CG2-CG 4.17Å
83T92.1Very high92.7Very high128 Ų12864.8 Ų64.879%0.78536%0.363SS*.  trans-90126162.1-55.20000107.7
84H91.1Very high92.4Very high57 Ų5763.3 Ų63.326%0.26435%0.352SS..  trans-132.7159.2-17765.3-79.4000111.5D27 W103 K104D27-H84 IonicContact OD2-CD2 2.58Å; D27-H84 IonicContact OD2-NE2 3.48Å; D27-H84 PolarHBondContact OD2-NE2 3.28Å; H84-W103 HydrophobicContact CB-CB 4.12Å; H84-W103 HydrophobicContact CB-CG 4.38Å; H84-K104 CarbonylContact C-O 3.51Å; H84-K104 WeakPolarHBondContact CA-O 3.43Å; H84-K104 WeakPolarHBondContact CB-O 3.2Å
85E91.8Very high91.9Very high69 Ų6964.2 Ų64.232%0.32237%0.367SS..  trans-67.3131.3171.3-170.3-168.217900109.6K87 N88 K104 S106E85-K87 PolarHBondContact O-N 3.44Å; E85-N88 VanDerWaalsContact CD-ND2 3.29Å; E85-N88 PolarHBondContact O-N 2.87Å; E85-N88 PolarHBondContact OE2-ND2 3.02Å; E85-N88 VanDerWaalsContact OE2-ND2 3.12Å; E85-K104 PolarHBondContact N-O 2.99Å; E85-K104 WeakPolarHBondContact OE2-CD 3.35Å; E85-K104 IonicContact OE2-NZ 3.88Å; E85-K104 PolarHBondContact OE2-NZ 3.44Å; E85-S106 VanDerWaalsContact OE2-O 3.1Å
86V91.1Very high91.3Very high110 Ų11065.2 Ų65.267%0.66738%0.377SS*.THydrogen-bonded Turntrans-56.8140-178.8-166.10000110.3N88V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-ND2 2.77Å; V86-N88 VanDerWaalsContact O-ND2 3.13Å
87K92.3Very high91Very high130 Ų13061.2 Ų61.257%0.56537%0.365SS*.THydrogen-bonded Turntrans7318.5-179.5-47-175.5178.6176.60115.4D27 M28 P29 E85D27-K87 VanDerWaalsContact CG-CA 3.49Å; D27-K87 VanDerWaalsContact CG-N 3.32Å; D27-K87 VanDerWaalsContact O-CA 3.29Å; D27-K87 WeakPolarHBondContact O-CA 3.34Å; D27-K87 WeakPolarHBondContact OD1-CA 3.36Å; D27-K87 PolarHBondContact OD2-N 2.81Å; M28-K87 WeakPolarHBondContact CA-O 3.37Å; P29-K87 WeakPolarHBondContact CD-O 3.46Å; E85-K87 PolarHBondContact O-N 3.44Å
88N94.3Very high91Very high16 Ų1658.9 Ų58.99%0.08634%0.337CS..  trans-13128.3-179.2-63-76.8000113D27 W70 E85 V86 W103 K104D27-N88 PolarHBondContact OD1-N 2.97Å; D27-N88 VanDerWaalsContact OD1-N 3.14Å; W70-N88 HydrophobicContact CH2-CB 3.76Å; W70-N88 HydrophobicContact CZ2-CB 4.45Å; W70-N88 HydrophobicContact CZ3-CB 4.22Å; W70-N88 WeakPolarHBondContact CZ3-O 3.16Å; E85-N88 VanDerWaalsContact CD-ND2 3.29Å; E85-N88 PolarHBondContact O-N 2.87Å; E85-N88 PolarHBondContact OE2-ND2 3.02Å; E85-N88 VanDerWaalsContact OE2-ND2 3.12Å; V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-ND2 2.77Å; V86-N88 VanDerWaalsContact O-ND2 3.13Å; N88-W103 VanDerWaalsContact O-CA 3.24Å; N88-W103 WeakPolarHBondContact O-CA 3.11Å; N88-K104 HydrophobicContact CB-CB 3.62Å; N88-K104 PolarHBondContact O-N 3.3Å
89L95.1Very high91.1Very high9 Ų956.3 Ų56.35%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-115.5131.3176.9176.769.1000111.8T26 D27 F80 V102 W103T26-L89 VanDerWaalsContact CA-O 3.23Å; T26-L89 WeakPolarHBondContact CA-O 3.37Å; T26-L89 WeakPolarHBondContact CB-O 3.31Å; T26-L89 PolarHBondContact OG1-O 3.27Å; D27-L89 PolarHBondContact N-O 3.41Å; D27-L89 WeakPolarHBondContact OD1-CA 3.25Å; D27-L89 WeakPolarHBondContact OD1-CB 3.01Å; D27-L89 PolarHBondContact OD1-N 3.21Å; F80-L89 HydrophobicContact CE2-CD1 4.44Å; L89-V102 WeakPolarHBondContact CA-O 3.04Å; L89-W103 HydrophobicContact CD1-CB 3.67Å
90L95.8Very high91.3Very high0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-131.2125.8170.1177.766.6000109.8I23 T26 M28 T36 M92 C101 V102I23-L90 HydrophobicContact CD1-CD1 4.38Å; I23-L90 HydrophobicContact CG1-CD1 4.29Å; I23-L90 HydrophobicContact CG2-CD1 4.05Å; T26-L90 HydrophobicContact CG2-CD1 4.47Å; M28-L90 HydrophobicContact CE-CB 3.74Å; M28-L90 HydrophobicContact SD-CB 3.81Å; T36-L90 HydrophobicContact CG2-CD2 3.49Å; T36-L90 VanDerWaalsContact CG2-CD2 3.49Å; L90-M92 HydrophobicContact CD2-SD 4.18Å; L90-C101 CarbonylContact O-C 3.59Å; L90-C101 WeakPolarHBondContact O-CA 3.33Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 PolarHBondContact N-O 2.98Å; L90-V102 PolarHBondContact O-N 3.44Å
91Y95.4Very high91.5Very high41 Ų4149 Ų4916%0.16127%0.272CS..EExtended strand (participates in β ladder)trans-124.8117.5170.3178.9-132.9000109.6R24 H25 F78 F80 F93 A99 V100 C101R24-Y91 HydrophobicContact CB-CD1 3.55Å; R24-Y91 HydrophobicContact CB-CE1 3.78Å; R24-Y91 HydrophobicContact CB-CG 4.3Å; R24-Y91 HydrophobicContact CG-CD1 3.52Å; R24-Y91 HydrophobicContact CG-CE1 3.42Å; R24-Y91 VanDerWaalsContact CG-CE1 3.42Å; R24-Y91 PolarHBondContact N-O 3.14Å; H25-Y91 PolarHBondContact N-O 2.85Å; H25-Y91 VanDerWaalsContact N-O 3.09Å; H25-Y91 PolarHBondContact O-N 3.07Å; H25-Y91 VanDerWaalsContact O-O 3.12Å; F78-Y91 HydrophobicContact CE2-CE2 4.24Å; F78-Y91 HydrophobicContact CZ-CE2 4.12Å; F80-Y91 HydrophobicContact CE1-CD1 4.4Å; F80-Y91 AromaticContact CE1-CD2 3.88Å; F80-Y91 HydrophobicContact CE1-CD2 3.88Å; F80-Y91 HydrophobicContact CE1-CE2 4.01Å; F80-Y91 HydrophobicContact CE1-CG 4.1Å; F80-Y91 HydrophobicContact CZ-CD2 4.29Å; F80-Y91 HydrophobicContact CZ-CG 4.15Å; Y91-F93 HydrophobicContact CE1-CE2 4.2Å; Y91-F93 HydrophobicContact CE1-CZ 4.34Å; Y91-F93 AromaticContact CZ-CZ 3.78Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.4Å; Y91-A99 HydrophobicContact CE2-CB 4.07Å; Y91-V100 WeakPolarHBondContact CA-O 3.29Å; Y91-C101 HydrophobicContact CD2-CB 4.15Å
92M94.5Very high91.7Very high0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-139.1161.8-177.165.3173.9-105.600112.3P21 L22 I23 M37 C40 V41 L90 F94 V100P21-M92 HydrophobicContact CB-CE 3.63Å; P21-M92 HydrophobicContact CB-SD 4.35Å; L22-M92 CarbonylContact O-C 3.59Å; L22-M92 WeakPolarHBondContact O-CA 3.32Å; L22-M92 WeakPolarHBondContact O-CB 3.43Å; I23-M92 HydrophobicContact CG1-CB 4.48Å; M37-M92 HydrophobicContact CG-SD 4.27Å; C40-M92 HydrophobicContact CB-CE 3.71Å; C40-M92 HydrophobicContact CB-SD 3.7Å; V41-M92 HydrophobicContact CG2-CE 4.3Å; L90-M92 HydrophobicContact CD2-SD 4.18Å; M92-F94 HydrophobicContact CE-CB 4.17Å; M92-V100 HydrophobicContact CG-CB 3.93Å; M92-V100 PolarHBondContact N-O 3.21Å; M92-V100 PolarHBondContact O-N 3.42Å
93F92.6Very high91.9Very high58 Ų5839.7 Ų39.725%0.25423%0.225SC..EExtended strand (participates in β ladder)trans-110.4145169.5-67.4-84.1000110.4P21 L22 R24 Y91 L98 A99P21-F93 CarbonylContact C-O 3.49Å; P21-F93 WeakPolarHBondContact CA-O 3.48Å; L22-F93 HydrophobicContact CB-CB 4.41Å; L22-F93 PolarHBondContact N-O 3.18Å; L22-F93 PolarHBondContact O-N 2.81Å; R24-F93 HydrophobicContact CB-CD2 4.04Å; R24-F93 HydrophobicContact CB-CE2 3.84Å; R24-F93 HydrophobicContact CG-CE2 3.91Å; Y91-F93 HydrophobicContact CE1-CE2 4.2Å; Y91-F93 HydrophobicContact CE1-CZ 4.34Å; Y91-F93 AromaticContact CZ-CZ 3.78Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.4Å; F93-L98 CarbonylContact C-O 3.29Å; F93-L98 VanDerWaalsContact CA-O 3.31Å; F93-L98 WeakPolarHBondContact CA-O 2.86Å; F93-A99 HydrophobicContact CD1-CB 3.81Å; F93-A99 HydrophobicContact CE1-CB 3.66Å
94F89.1Confident92.1Very high24 Ų2434.9 Ų34.911%0.10519%0.193CC..EExtended strand (participates in β ladder)trans-135.1142.9176.4-179.5-101.9000109.4V41 C44 E45 M92 G96 L98V41-F94 HydrophobicContact CB-CE2 4.45Å; V41-F94 HydrophobicContact CG1-CE2 3.95Å; V41-F94 HydrophobicContact CG2-CD2 4.18Å; V41-F94 HydrophobicContact CG2-CE2 4.28Å; C44-F94 HydrophobicContact CB-CD1 3.44Å; C44-F94 VanDerWaalsContact CB-CD1 3.44Å; C44-F94 HydrophobicContact CB-CE1 3.58Å; C44-F94 HydrophobicContact CB-CG 4.1Å; C44-F94 HydrophobicContact CB-CZ 4.34Å; E45-F94 HydrophobicContact CG-CE1 4.43Å; E45-F94 HydrophobicContact CG-CE2 4.42Å; E45-F94 HydrophobicContact CG-CZ 3.66Å; M92-F94 HydrophobicContact CE-CB 4.17Å; F94-G96 PolarHBondContact O-N 2.73Å; F94-L98 HydrophobicContact CD1-CD2 4.39Å; F94-L98 PolarHBondContact N-O 3.17Å; F94-L98 WeakPolarHBondContact O-CA 3.47Å; F94-L98 WeakPolarHBondContact O-CB 3.35Å; F94-L98 PolarHBondContact O-N 2.97Å; F94-L98 VanDerWaalsContact O-O 3.13Å
95G84.5Confident91.9Very high40 Ų4035.1 Ų35.141%0.41220%0.201SC..THydrogen-bonded Turntrans64.18.6179.800000114.6H18 S97H18-G95 CarbonylContact O-C 3.44Å; H18-G95 WeakPolarHBondContact O-CA 3.38Å; H18-G95 PolarHBondContact O-N 3.04Å; G95-S97 PolarHBondContact O-N 3.14Å
96G80.3Confident90.9Very high33 Ų3336.9 Ų36.934%0.3422%0.22SC..THydrogen-bonded Turntrans76.3-24.1-179.800000116H18 F94H18-G96 WeakPolarHBondContact ND1-CA 3.45Å; H18-G96 PolarHBondContact O-N 2.99Å; F94-G96 PolarHBondContact O-N 2.73Å
97S84Confident90.9Very high66 Ų6633.3 Ų33.346%0.46220%0.198SC..THydrogen-bonded Turntrans-111.3-2517756.30000113.5E76 G95E76-S97 WeakPolarHBondContact CA-O 3.42Å; G95-S97 PolarHBondContact O-N 3.14Å
98L90.6Very high90.9Very high22 Ų2228.2 Ų28.212%0.11518%0.179CC..EExtended strand (participates in β ladder)trans-91.8120.6-172.3-161.769.8000110.4C44 I74 E76 F93 F94C44-L98 HydrophobicContact CB-CD2 4.34Å; I74-L98 HydrophobicContact CG2-CD1 3.78Å; I74-L98 HydrophobicContact CG2-CD2 3.69Å; I74-L98 HydrophobicContact CG2-CG 3.7Å; E76-L98 HydrophobicContact CG-CD1 4.25Å; F93-L98 CarbonylContact C-O 3.29Å; F93-L98 VanDerWaalsContact CA-O 3.31Å; F93-L98 WeakPolarHBondContact CA-O 2.86Å; F94-L98 HydrophobicContact CD1-CD2 4.39Å; F94-L98 PolarHBondContact N-O 3.17Å; F94-L98 WeakPolarHBondContact O-CA 3.47Å; F94-L98 WeakPolarHBondContact O-CB 3.35Å; F94-L98 PolarHBondContact O-N 2.97Å; F94-L98 VanDerWaalsContact O-O 3.13Å
99A93.2Very high90.7Very high4 Ų428.8 Ų28.83%0.03318%0.184CC..EExtended strand (participates in β ladder)trans-94.9141.117200000110.3I74 G75 F78 Y91 F93I74-A99 WeakPolarHBondContact CA-O 3.41Å; G75-A99 PolarHBondContact N-O 3.42Å; G75-A99 WeakPolarHBondContact O-CB 3.27Å; G75-A99 PolarHBondContact O-N 3.46Å; F78-A99 HydrophobicContact CD1-CB 4.37Å; F78-A99 HydrophobicContact CE1-CB 3.44Å; F78-A99 VanDerWaalsContact CE1-CB 3.44Å; F78-A99 WeakPolarHBondContact CE1-O 3.34Å; F78-A99 HydrophobicContact CZ-CB 3.67Å; Y91-A99 HydrophobicContact CE2-CB 4.07Å; F93-A99 HydrophobicContact CD1-CB 3.81Å; F93-A99 HydrophobicContact CE1-CB 3.66Å
100V94.9Very high90.4Very high1 Ų130 Ų301%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-126.5122.4176.7-176.90000108.1C40 I58 V73 I74 Y91 M92 V102C40-V100 HydrophobicContact CB-CG1 4.3Å; I58-V100 HydrophobicContact CD1-CG1 4.4Å; V73-V100 WeakPolarHBondContact O-CA 3.35Å; I74-V100 HydrophobicContact CG1-CG1 4.13Å; I74-V100 HydrophobicContact CG1-CG2 4.21Å; I74-V100 HydrophobicContact CG2-CG2 4.33Å; Y91-V100 WeakPolarHBondContact CA-O 3.29Å; M92-V100 HydrophobicContact CG-CB 3.93Å; M92-V100 PolarHBondContact N-O 3.21Å; M92-V100 PolarHBondContact O-N 3.42Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å
101C95.6Very high90.1Very high0 Ų031.9 Ų31.90%020%0.204CC..EExtended strand (participates in β ladder)trans-119.4126.8174.2-171.80000109.1V72 V73 F78 F80 L90 Y91 W103V72-C101 CarbonylContact C-O 3.41Å; V72-C101 WeakPolarHBondContact CA-O 3.41Å; V73-C101 PolarHBondContact N-O 2.92Å; V73-C101 PolarHBondContact O-N 3.14Å; F78-C101 HydrophobicContact CE2-CB 3.87Å; F78-C101 HydrophobicContact CZ-CB 3.95Å; F80-C101 HydrophobicContact CE1-CB 4.28Å; F80-C101 VanDerWaalsContact CE2-SG 3.56Å; F80-C101 WeakPolarHBondContact CZ-SG 3.32Å; L90-C101 CarbonylContact O-C 3.59Å; L90-C101 WeakPolarHBondContact O-CA 3.33Å; Y91-C101 HydrophobicContact CD2-CB 4.15Å; C101-W103 HydrophobicContact CB-CZ3 4.37Å
102V96.3Very high89.7Confident0 Ų031.3 Ų31.30%021%0.207CC..EExtended strand (participates in β ladder)trans-129.2125.6-179.4-178.30000107.9T36 I58 M62 W70 H71 V72 L89 L90 V100T36-V102 HydrophobicContact CG2-CG1 4.31Å; I58-V102 HydrophobicContact CG2-CG2 4.06Å; M62-V102 HydrophobicContact CE-CG1 4.49Å; W70-V102 HydrophobicContact CE3-CG1 3.64Å; W70-V102 HydrophobicContact CZ3-CG1 3.88Å; H71-V102 WeakPolarHBondContact O-CA 3.17Å; V72-V102 HydrophobicContact CG1-CG2 4.14Å; V72-V102 HydrophobicContact CG2-CG1 4.18Å; V72-V102 HydrophobicContact CG2-CG2 4.19Å; L89-V102 WeakPolarHBondContact CA-O 3.04Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 PolarHBondContact N-O 2.98Å; L90-V102 PolarHBondContact O-N 3.44Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å
103W95.9Very high89.4Confident26 Ų2633.5 Ų33.510%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-147.3159.3176.474.198000113.2W70 H71 V73 V82 H84 N88 L89 C101 C105W70-W103 WeakPolarHBondContact CA-O 3.5Å; H71-W103 HydrophobicContact CB-CD2 3.87Å; H71-W103 VanDerWaalsContact CB-CE2 3.46Å; H71-W103 HydrophobicContact CB-CE3 4.23Å; H71-W103 HydrophobicContact CB-CG 4.49Å; H71-W103 HydrophobicContact CB-CH2 3.91Å; H71-W103 HydrophobicContact CB-CZ2 3.49Å; H71-W103 VanDerWaalsContact CB-CZ2 3.49Å; H71-W103 HydrophobicContact CB-CZ3 4.25Å; H71-W103 PolarHBondContact N-O 3.03Å; H71-W103 PolarHBondContact O-N 3.3Å; V73-W103 HydrophobicContact CB-CZ3 4.24Å; V73-W103 HydrophobicContact CG2-CH2 3.58Å; V73-W103 HydrophobicContact CG2-CZ3 3.67Å; V82-W103 HydrophobicContact CG1-CH2 4.43Å; V82-W103 HydrophobicContact CG1-CZ2 3.87Å; V82-W103 HydrophobicContact CG2-CD2 4.26Å; V82-W103 HydrophobicContact CG2-CG 4.17Å; H84-W103 HydrophobicContact CB-CB 4.12Å; H84-W103 HydrophobicContact CB-CG 4.38Å; N88-W103 VanDerWaalsContact O-CA 3.24Å; N88-W103 WeakPolarHBondContact O-CA 3.11Å; L89-W103 HydrophobicContact CD1-CB 3.67Å; C101-W103 HydrophobicContact CB-CZ3 4.37Å; W103-C105 PolarHBondContact NE1-SG 2.86Å
104K94.9Very high89.1Confident27 Ų2731.6 Ų31.612%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-109.3135.3173.2-169.1166.1177.4-90.20110.6S68 W70 H84 E85 N88 S106S68-K104 WeakPolarHBondContact O-CE 3.39Å; W70-K104 HydrophobicContact CD2-CB 4.05Å; W70-K104 HydrophobicContact CD2-CD 4.37Å; W70-K104 HydrophobicContact CD2-CG 4.45Å; W70-K104 HydrophobicContact CE3-CB 4.04Å; W70-K104 HydrophobicContact CH2-CB 4.18Å; W70-K104 HydrophobicContact CZ2-CB 4.19Å; W70-K104 HydrophobicContact CZ2-CD 3.78Å; W70-K104 HydrophobicContact CZ3-CB 4.11Å; H84-K104 CarbonylContact C-O 3.51Å; H84-K104 WeakPolarHBondContact CA-O 3.43Å; H84-K104 WeakPolarHBondContact CB-O 3.2Å; E85-K104 PolarHBondContact N-O 2.99Å; E85-K104 WeakPolarHBondContact OE2-CD 3.35Å; E85-K104 IonicContact OE2-NZ 3.88Å; E85-K104 PolarHBondContact OE2-NZ 3.44Å; N88-K104 HydrophobicContact CB-CB 3.62Å; N88-K104 PolarHBondContact O-N 3.3Å; K104-S106 WeakPolarHBondContact CE-O 3.3Å; K104-S106 PolarHBondContact NZ-O 2.94Å
105C87.6Confident89.1Confident62 Ų6232.3 Ų32.342%0.41923%0.229SC..  trans-91.9-12.2-174.9-73.90000115.2S69 H71 W103S69-C105 PolarHBondContact O-N 3.31Å; H71-C105 VanDerWaalsContact CE1-SG 3.51Å; H71-C105 PolarHBondContact ND1-SG 3.17Å; H71-C105 VanDerWaalsContact ND1-SG 3.37Å; W103-C105 PolarHBondContact NE1-SG 2.86Å
106S71.7Confident89.5Confident106 Ų10631.5 Ų31.574%0.74121%0.212SC*.  trans-153.10-175.2-179.10000112.1E85 K104E85-S106 VanDerWaalsContact OE2-O 3.1Å; K104-S106 WeakPolarHBondContact CE-O 3.3Å; K104-S106 PolarHBondContact NZ-O 2.94Å

Retrieved 106 of 106 residues in 391.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).