A0A673YL31_SALTR 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 A0A673YL31, Species SALTR (Salmo trutta, Brown trout), Gene DNAL4, Length 106 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
1M49.1Very low47.4Very low228 Ų228131.1 Ų131.1100%1.12367%0.674SS**  033.90-63.3-162.7178.700112.2
2A49.2Very low47.4Very low68 Ų68123.9 Ų123.956%0.56265%0.649SS**  trans-105.1-19.4179.600000112.9
3E44.2Very low47.7Very low167 Ų167120.9 Ų120.978%0.7863%0.634SS**Hα-helixtrans-79.5-21.9-169-65.3164.499.900114.1T5E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 2.81Å
4T48.6Very low48Very low107 Ų107122.4 Ų122.466%0.65663%0.628SS**Hα-helixtrans-78.8-9-178.329.40000115.2
5T48.3Very low48Very low102 Ų102123.5 Ų123.563%0.62663%0.627SS**Hα-helixtrans-98.2-28.6-173-35.10000112.6E3E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 2.81Å
6E45.8Very low48.3Very low135 Ų135127.3 Ų127.363%0.63163%0.631SS**Hα-helixtrans-74.2-44.1177.6-91.5159.973.800112.3K8 K9 E10E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.34Å; E6-K9 WeakPolarHBondContact O-CB 3.23Å; E6-K9 PolarHBondContact O-N 2.97Å; E6-E10 PolarHBondContact O-N 3.32Å; E6-E10 VanDerWaalsContact O-N 3.15Å
7S46.4Very low48.4Very low72 Ų72126.7 Ų126.750%0.50363%0.63SS.*Hα-helixtrans-62.6-33.1179.7-46.40000113.7K9 E11S7-K9 VanDerWaalsContact C-N 3.29Å; S7-K9 PolarHBondContact O-N 3.21Å; S7-E11 PolarHBondContact O-N 2.9Å; S7-E11 VanDerWaalsContact O-N 3.15Å
8K45.9Very low48.7Very low159 Ų159121.5 Ų121.569%0.69160%0.603SS**Hα-helixtrans-70.8-24.9175.1-80.9-177.4175.3179.50113.1E6 A12E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.34Å; K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 2.95Å
9K46.8Very low49.2Very low151 Ų151119.2 Ų119.266%0.65760%0.6SS**Hα-helixtrans-82.3-40.8-178.9-151.1178-178.3-174.50110.6E6 S7 A12 D13E6-K9 WeakPolarHBondContact O-CB 3.23Å; E6-K9 PolarHBondContact O-N 2.97Å; S7-K9 VanDerWaalsContact C-N 3.29Å; S7-K9 PolarHBondContact O-N 3.21Å; K9-A12 PolarHBondContact O-N 3.22Å; K9-D13 PolarHBondContact O-N 3.06Å
10E46.5Very low50.1Low140 Ų140120.7 Ų120.765%0.65460%0.603SS**Hα-helixtrans-64.9-40.1171.7-77.917582.500112.8E6 A12 D13 Y14E6-E10 PolarHBondContact O-N 3.32Å; E6-E10 VanDerWaalsContact O-N 3.15Å; E10-A12 VanDerWaalsContact C-N 3.29Å; E10-A12 PolarHBondContact O-N 3.18Å; E10-D13 PolarHBondContact O-N 3.02Å; E10-Y14 WeakPolarHBondContact O-CB 3.35Å; E10-Y14 PolarHBondContact O-N 3.36Å
11E50.3Low51.4Low113 Ų113116.1 Ų116.153%0.52858%0.582SS.*Hα-helixtrans-63-34.3171.7-93.7-167.675.800113S7 K15S7-E11 PolarHBondContact O-N 2.9Å; S7-E11 VanDerWaalsContact O-N 3.15Å; E11-K15 VanDerWaalsContact O-CB 3.28Å; E11-K15 WeakPolarHBondContact O-CB 3.26Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 3.23Å; E11-K15 IonicContact OE1-NZ 3.97Å
12A48.1Very low53.1Low45 Ų45110.5 Ų110.537%0.37256%0.556SS.*Hα-helixtrans-76.6-37179.200000112.3K8 K9 E10 R16K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 2.95Å; K9-A12 PolarHBondContact O-N 3.22Å; E10-A12 VanDerWaalsContact C-N 3.29Å; E10-A12 PolarHBondContact O-N 3.18Å; A12-R16 WeakPolarHBondContact O-CB 3.19Å; A12-R16 WeakPolarHBondContact O-CG 3.21Å; A12-R16 PolarHBondContact O-N 2.79Å
13D50.7Low54.9Low85 Ų85110 Ų11046%0.45554%0.543SS..Hα-helixtrans-69.2-38.9171.5-95.2-85.8000111.3K9 E10 R16 L17K9-D13 PolarHBondContact O-N 3.06Å; E10-D13 PolarHBondContact O-N 3.02Å; D13-R16 PolarHBondContact O-N 3.29Å; D13-L17 WeakPolarHBondContact O-CB 3.17Å; D13-L17 WeakPolarHBondContact O-CD1 3.49Å; D13-L17 WeakPolarHBondContact O-CG 3.04Å; D13-L17 PolarHBondContact O-N 3.06Å
14Y52Low57Low141 Ų141110.6 Ų110.655%0.55354%0.538SS*.Hα-helixtrans-63.5-44.5171.3-168.1-108.9000111.4E10 R16 L17 H18E10-Y14 WeakPolarHBondContact O-CB 3.35Å; E10-Y14 PolarHBondContact O-N 3.36Å; Y14-R16 VanDerWaalsContact C-N 3.29Å; Y14-R16 PolarHBondContact O-N 2.84Å; Y14-L17 PolarHBondContact O-N 2.83Å; Y14-H18 AromaticContact CD1-CD2 3.78Å; Y14-H18 AromaticContact CD1-CE1 3.79Å; Y14-H18 AromaticContact CD1-NE2 3.61Å; Y14-H18 AromaticContact CD2-CD2 3.9Å; Y14-H18 AromaticContact CD2-NE2 3.66Å; Y14-H18 AromaticContact CE1-CD2 3.77Å; Y14-H18 AromaticContact CE1-CE1 3.05Å; Y14-H18 WeakPolarHBondContact CE1-CE1 3.43Å; Y14-H18 AromaticContact CE1-ND1 3.74Å; Y14-H18 AromaticContact CE1-NE2 3.09Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.42Å; Y14-H18 AromaticContact CE2-CD2 3.87Å; Y14-H18 AromaticContact CE2-CE1 3.94Å; Y14-H18 AromaticContact CE2-NE2 3.14Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.33Å; Y14-H18 AromaticContact CG-CD2 3.87Å; Y14-H18 AromaticContact CG-NE2 3.88Å; Y14-H18 AromaticContact CZ-CD2 3.81Å; Y14-H18 AromaticContact CZ-CE1 3.15Å; Y14-H18 AromaticContact CZ-NE2 2.83Å; Y14-H18 WeakPolarHBondContact O-CB 3.45Å; Y14-H18 PolarHBondContact O-CD2 3.11Å; Y14-H18 PolarHBondContact O-N 3.2Å; Y14-H18 PolarHBondContact OH-CE1 3.08Å; Y14-H18 VanDerWaalsContact OH-CE1 3.24Å; Y14-H18 PolarHBondContact OH-NE2 3.18Å
15K48.7Very low58.8Low140 Ų140110.3 Ų110.361%0.60953%0.529SS*.Hα-helixtrans-60.9-34.4172.8-83.1172.9177.9165.60113.2E11 S19E11-K15 VanDerWaalsContact O-CB 3.28Å; E11-K15 WeakPolarHBondContact O-CB 3.26Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 3.23Å; E11-K15 IonicContact OE1-NZ 3.97Å; K15-S19 PolarHBondContact O-N 2.77Å
16R51.7Low60.7Low184 Ų184107 Ų10769%0.69451%0.509SS*.Hα-helixtrans-74.5-36.4175.4-79.6177.7173.3-176.3-2.1112.8A12 D13 Y14 H18 F20A12-R16 WeakPolarHBondContact O-CB 3.19Å; A12-R16 WeakPolarHBondContact O-CG 3.21Å; A12-R16 PolarHBondContact O-N 2.79Å; D13-R16 PolarHBondContact O-N 3.29Å; Y14-R16 VanDerWaalsContact C-N 3.29Å; Y14-R16 PolarHBondContact O-N 2.84Å; R16-H18 VanDerWaalsContact C-N 3.29Å; R16-F20 WeakPolarHBondContact O-CD2 3.41Å; R16-F20 WeakPolarHBondContact O-CE2 3.43Å
17L51.3Low62.7Low117 Ų117104 Ų10461%0.61350%0.497SS*.Hα-helixtrans-67.4-33.1171.3-75.4158000111.5D13 Y14 S19 F20D13-L17 WeakPolarHBondContact O-CB 3.17Å; D13-L17 WeakPolarHBondContact O-CD1 3.49Å; D13-L17 WeakPolarHBondContact O-CG 3.04Å; D13-L17 PolarHBondContact O-N 3.06Å; Y14-L17 PolarHBondContact O-N 2.83Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.83Å; L17-F20 PolarHBondContact O-N 2.81Å
18H53.6Low64.7Low33 Ų33101.1 Ų101.115%0.15348%0.476CS..Hα-helixtrans-72.9-18.8-179.1-84.8-129.5000114Y14 R16 F20 G95 G96Y14-H18 AromaticContact CD1-CD2 3.78Å; Y14-H18 AromaticContact CD1-CE1 3.79Å; Y14-H18 AromaticContact CD1-NE2 3.61Å; Y14-H18 AromaticContact CD2-CD2 3.9Å; Y14-H18 AromaticContact CD2-NE2 3.66Å; Y14-H18 AromaticContact CE1-CD2 3.77Å; Y14-H18 AromaticContact CE1-CE1 3.05Å; Y14-H18 WeakPolarHBondContact CE1-CE1 3.43Å; Y14-H18 AromaticContact CE1-ND1 3.74Å; Y14-H18 AromaticContact CE1-NE2 3.09Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.42Å; Y14-H18 AromaticContact CE2-CD2 3.87Å; Y14-H18 AromaticContact CE2-CE1 3.94Å; Y14-H18 AromaticContact CE2-NE2 3.14Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.33Å; Y14-H18 AromaticContact CG-CD2 3.87Å; Y14-H18 AromaticContact CG-NE2 3.88Å; Y14-H18 AromaticContact CZ-CD2 3.81Å; Y14-H18 AromaticContact CZ-CE1 3.15Å; Y14-H18 AromaticContact CZ-NE2 2.83Å; Y14-H18 WeakPolarHBondContact O-CB 3.45Å; Y14-H18 PolarHBondContact O-CD2 3.11Å; Y14-H18 PolarHBondContact O-N 3.2Å; Y14-H18 PolarHBondContact OH-CE1 3.08Å; Y14-H18 VanDerWaalsContact OH-CE1 3.24Å; Y14-H18 PolarHBondContact OH-NE2 3.18Å; R16-H18 VanDerWaalsContact C-N 3.29Å; H18-F20 PolarHBondContact O-N 2.95Å; H18-G95 VanDerWaalsContact CB-C 3.49Å; H18-G95 PolarHBondContact ND1-O 2.88Å; H18-G95 CarbonylContact O-C 3.48Å; H18-G95 WeakPolarHBondContact O-CA 3.43Å; H18-G95 PolarHBondContact O-N 3.46Å; H18-G96 WeakPolarHBondContact CE1-CA 3.43Å; H18-G96 PolarHBondContact CE1-O 2.97Å; H18-G96 WeakPolarHBondContact ND1-CA 3.35Å; H18-G96 PolarHBondContact ND1-N 2.9Å; H18-G96 VanDerWaalsContact ND1-N 3.18Å
19S57.3Low66.7Low78 Ų7896.6 Ų96.655%0.54546%0.463SS..THydrogen-bonded Turntrans-72.8-12.8171.9-700000113.4K15 L17 F94K15-S19 PolarHBondContact O-N 2.77Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.83Å; S19-F94 WeakPolarHBondContact O-CE2 3.16Å
20F66.6Low68.6Low148 Ų14895.7 Ų95.765%0.64946%0.461SS*.SBendtrans-87.7131.9178.9-69.5-83.7000111.3R16 L17 H18 L22R16-F20 WeakPolarHBondContact O-CD2 3.41Å; R16-F20 WeakPolarHBondContact O-CE2 3.43Å; L17-F20 PolarHBondContact O-N 2.81Å; H18-F20 PolarHBondContact O-N 2.95Å; F20-L22 PolarHBondContact O-N 3.1Å
21P78.8Confident70.5Confident26 Ų2697.3 Ų97.317%0.16947%0.469CS..  trans-64.3119.3171.828.5-35.3000109.5M37 V41 M92 F93P21-M37 HydrophobicContact CB-CG 3.81Å; P21-M37 HydrophobicContact CB-SD 4.07Å; P21-M37 HydrophobicContact CG-CE 3.48Å; P21-M37 VanDerWaalsContact CG-CE 3.48Å; P21-M37 HydrophobicContact CG-CG 3.67Å; P21-M37 HydrophobicContact CG-SD 3.6Å; P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.53Å; P21-M92 HydrophobicContact CB-CE 4.12Å; P21-M92 HydrophobicContact CB-SD 4.11Å; P21-F93 CarbonylContact C-O 3.56Å; P21-F93 WeakPolarHBondContact CA-O 3.28Å
22L84.4Confident72.3Confident109 Ų10993.3 Ų93.357%0.57145%0.45SS*.EExtended strand (participates in β ladder)trans-102.5106.1178.3-167.8147.4000109.1F20 R24 M92 F93F20-L22 PolarHBondContact O-N 3.1Å; L22-R24 PolarHBondContact O-N 3.27Å; L22-M92 CarbonylContact O-C 3.3Å; L22-M92 WeakPolarHBondContact O-CA 3.4Å; L22-M92 WeakPolarHBondContact O-CB 3.31Å; L22-F93 HydrophobicContact CB-CB 4.43Å; L22-F93 PolarHBondContact N-O 3.34Å; L22-F93 PolarHBondContact O-N 2.83Å
23I87.8Confident74.2Confident59 Ų5994.5 Ų94.530%0.30345%0.445SS..EExtended strand (participates in β ladder)trans-72.1118.2178.6-57.5177.1000108.7T26 R33 M37 L90 M92I23-T26 HydrophobicContact CG2-CG2 3.7Å; I23-R33 HydrophobicContact CD1-CG 3.97Å; I23-M37 HydrophobicContact CD1-SD 4Å; I23-M37 HydrophobicContact CG1-SD 4.32Å; I23-L90 HydrophobicContact CG2-CD1 4.2Å; I23-M92 HydrophobicContact CG1-CB 4.45Å
24R87.3Confident76.1Confident178 Ų17893.7 Ų93.767%0.67244%0.443SS*.EExtended strand (participates in β ladder)trans-88.6-43.3177.4-176.763.9170.8152.3-0.1111.4L22 Y91 F93L22-R24 PolarHBondContact O-N 3.27Å; R24-Y91 HydrophobicContact CB-CD1 3.48Å; R24-Y91 VanDerWaalsContact CB-CD1 3.48Å; R24-Y91 HydrophobicContact CB-CE1 3.77Å; R24-Y91 HydrophobicContact CB-CG 4.32Å; R24-Y91 HydrophobicContact CG-CD1 3.56Å; R24-Y91 HydrophobicContact CG-CE1 3.53Å; R24-Y91 PolarHBondContact N-O 3.29Å; R24-F93 HydrophobicContact CB-CD2 4Å; R24-F93 HydrophobicContact CB-CE2 3.78Å; R24-F93 HydrophobicContact CG-CE2 3.9Å
25H86.1Confident77.9Confident101 Ų10190 Ų9047%0.46843%0.431SS..EExtended strand (participates in β ladder)trans-152.8140.5176-176.971.6000109.8Y91H25-Y91 PolarHBondContact N-O 3.33Å; H25-Y91 WeakPolarHBondContact O-CA 3.45Å; H25-Y91 PolarHBondContact O-N 3.14Å; H25-Y91 VanDerWaalsContact O-O 3.07Å
26T88.6Confident79.9Confident34 Ų3483.4 Ų83.421%0.20940%0.402CS..EExtended strand (participates in β ladder)trans-154.7139174.3-174.30000109.6I23 M28 R33 L89I23-T26 HydrophobicContact CG2-CG2 3.7Å; T26-M28 PolarHBondContact OG1-N 2.97Å; T26-R33 HydrophobicContact CG2-CG 4.29Å; T26-L89 WeakPolarHBondContact CA-O 3.36Å; T26-L89 PolarHBondContact OG1-O 2.97Å
27D88.3Confident81.7Confident71 Ų7177.2 Ų77.238%0.3838%0.382SS..  trans-112.10.4172.9-157.8-115.7000111.2K87 L89D27-K87 VanDerWaalsContact O-CA 3.26Å; D27-K87 WeakPolarHBondContact O-CA 3.44Å; D27-K87 VanDerWaalsContact OD1-CA 3.23Å; D27-K87 WeakPolarHBondContact OD1-CA 3.22Å; D27-K87 PolarHBondContact OD1-N 3.48Å; D27-L89 PolarHBondContact N-O 2.84Å
28M87.6Confident83.5Confident12 Ų1277.4 Ų77.46%0.05938%0.379CS..SBendtrans-70147.6-178.1-68.9-178.6-178.700112.2T26 M32 R33 T36 W70 K87 L90T26-M28 PolarHBondContact OG1-N 2.97Å; M28-M32 HydrophobicContact CB-CG 4.48Å; M28-M32 HydrophobicContact CB-SD 4.27Å; M28-M32 HydrophobicContact CG-CG 4.48Å; M28-M32 HydrophobicContact CG-SD 3.95Å; M28-M32 HydrophobicContact SD-CG 3.99Å; M28-M32 HydrophobicContact SD-SD 3.96Å; M28-R33 HydrophobicContact CB-CB 4.19Å; M28-T36 HydrophobicContact SD-CG2 4.49Å; M28-W70 HydrophobicContact CE-CH2 3.67Å; M28-W70 HydrophobicContact CE-CZ3 3.47Å; M28-W70 VanDerWaalsContact CE-CZ3 3.47Å; M28-K87 WeakPolarHBondContact CA-O 3.33Å; M28-L90 HydrophobicContact CE-CB 3.73Å; M28-L90 HydrophobicContact SD-CB 3.85Å
29P88.3Confident85.3Confident64 Ų6477.1 Ų77.142%0.41638%0.379SS..  trans-61.9151.4170.626.7-31.9000110.6E31 M32 R33P29-E31 VanDerWaalsContact C-N 3.29Å; P29-E31 PolarHBondContact O-N 2.92Å; P29-M32 HydrophobicContact CG-CB 3.82Å; P29-M32 HydrophobicContact CG-SD 4.48Å; P29-M32 PolarHBondContact O-N 3.42Å; P29-M32 VanDerWaalsContact O-N 3.08Å; P29-R33 WeakPolarHBondContact O-CB 3.32Å; P29-R33 PolarHBondContact O-N 3.06Å
30E86.7Confident86.9Confident132 Ų13273.4 Ų73.462%0.61735%0.353SS*.Hα-helixtrans-54.1-42.4-170.4-178.2151.8110.700113.6R33 V34E30-R33 VanDerWaalsContact CG-NH2 3.35Å; E30-R33 PolarHBondContact O-N 3.24Å; E30-R33 IonicContact OE2-CZ 3.81Å; E30-R33 IonicContact OE2-NH2 2.79Å; E30-R33 PolarHBondContact OE2-NH2 2.83Å; E30-V34 WeakPolarHBondContact O-CG2 3.45Å; E30-V34 PolarHBondContact O-N 2.83Å
31E87.4Confident87.9Confident174 Ų17467.5 Ų67.581%0.81333%0.329SS*.Hα-helixtrans-62.5-47.1178.3-61.1179.293.400112.2P29 E35P29-E31 VanDerWaalsContact C-N 3.29Å; P29-E31 PolarHBondContact O-N 2.92Å; E31-E35 PolarHBondContact O-N 3.42Å
32M88.1Confident88.5Confident28 Ų2869.8 Ų69.814%0.13834%0.343CS..Hα-helixtrans-68-41.6177.9-177.1-173.7-82.600111M28 P29 V34 E35 T36 F66 W70M28-M32 HydrophobicContact CB-CG 4.48Å; M28-M32 HydrophobicContact CB-SD 4.27Å; M28-M32 HydrophobicContact CG-CG 4.48Å; M28-M32 HydrophobicContact CG-SD 3.95Å; M28-M32 HydrophobicContact SD-CG 3.99Å; M28-M32 HydrophobicContact SD-SD 3.96Å; P29-M32 HydrophobicContact CG-CB 3.82Å; P29-M32 HydrophobicContact CG-SD 4.48Å; P29-M32 PolarHBondContact O-N 3.42Å; P29-M32 VanDerWaalsContact O-N 3.08Å; M32-V34 PolarHBondContact O-N 2.78Å; M32-E35 PolarHBondContact O-N 2.84Å; M32-T36 WeakPolarHBondContact O-CB 3.48Å; M32-T36 PolarHBondContact O-N 3.26Å; M32-T36 PolarHBondContact O-OG1 3.19Å; M32-F66 HydrophobicContact CB-CE1 4.47Å; M32-F66 HydrophobicContact CB-CZ 4.4Å; M32-F66 HydrophobicContact CE-CB 4.36Å; M32-F66 HydrophobicContact CE-CD1 3.28Å; M32-F66 HydrophobicContact CE-CD2 4.48Å; M32-F66 HydrophobicContact CE-CE1 3.52Å; M32-F66 HydrophobicContact CE-CG 3.8Å; M32-F66 HydrophobicContact CE-CZ 4.25Å; M32-F66 HydrophobicContact CG-CE1 4.02Å; M32-F66 HydrophobicContact CG-CE2 4.19Å; M32-F66 HydrophobicContact CG-CZ 3.83Å; M32-W70 HydrophobicContact SD-CH2 4.32Å
33R87.9Confident88.7Confident71 Ų7164.6 Ų64.627%0.26832%0.316SS..Hα-helixtrans-56.7-48.4178.5178-172.768.5-168.9-2.5111.4I23 T26 M28 P29 E30 M37 L90I23-R33 HydrophobicContact CD1-CG 3.97Å; T26-R33 HydrophobicContact CG2-CG 4.29Å; M28-R33 HydrophobicContact CB-CB 4.19Å; P29-R33 WeakPolarHBondContact O-CB 3.32Å; P29-R33 PolarHBondContact O-N 3.06Å; E30-R33 VanDerWaalsContact CG-NH2 3.35Å; E30-R33 PolarHBondContact O-N 3.24Å; E30-R33 IonicContact OE2-CZ 3.81Å; E30-R33 IonicContact OE2-NH2 2.79Å; E30-R33 PolarHBondContact OE2-NH2 2.83Å; R33-M37 VanDerWaalsContact O-CB 3.22Å; R33-M37 WeakPolarHBondContact O-CB 3.35Å; R33-M37 PolarHBondContact O-N 3.48Å; R33-L90 HydrophobicContact CG-CD1 4.48Å
34V89.9Confident88.6Confident67 Ų6762 Ų6241%0.40630%0.303SS..Hα-helixtrans-62.3-47.4179.8173.10000109.8E30 M32 T36 M37 E38E30-V34 WeakPolarHBondContact O-CG2 3.45Å; E30-V34 PolarHBondContact O-N 2.83Å; M32-V34 PolarHBondContact O-N 2.78Å; V34-T36 PolarHBondContact O-N 3.17Å; V34-M37 WeakPolarHBondContact O-CB 3.27Å; V34-M37 PolarHBondContact O-N 3.26Å; V34-E38 WeakPolarHBondContact O-CG 3.28Å; V34-E38 PolarHBondContact O-N 3.15Å
35E89.5Confident88.5Confident65 Ų6559.9 Ų59.930%0.30430%0.3SS..Hα-helixtrans-64.2-44.2-178.2-160.9-175.587.200112.7E31 M32 M37 E38 L39 K65 F66E31-E35 PolarHBondContact O-N 3.42Å; M32-E35 PolarHBondContact O-N 2.84Å; E35-M37 VanDerWaalsContact C-N 3.34Å; E35-E38 PolarHBondContact O-N 2.79Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 2.81Å; E35-K65 WeakPolarHBondContact OE1-CD 3.35Å; E35-K65 IonicContact OE1-NZ 2.83Å; E35-K65 PolarHBondContact OE1-NZ 3.25Å; E35-K65 IonicContact OE2-NZ 2.71Å; E35-K65 PolarHBondContact OE2-NZ 2.84Å; E35-F66 WeakPolarHBondContact OE1-CE2 3.14Å; E35-F66 VanDerWaalsContact OE1-CZ 3.31Å; E35-F66 WeakPolarHBondContact OE1-CZ 3.09Å
36T90.1Very high88.6Confident0 Ų061.6 Ų61.60%031%0.306CS..Hα-helixtrans-65.3-38.9176-53.60000111M28 M32 V34 L39 C40 M62 L90 V102M28-T36 HydrophobicContact SD-CG2 4.49Å; M32-T36 WeakPolarHBondContact O-CB 3.48Å; M32-T36 PolarHBondContact O-N 3.26Å; M32-T36 PolarHBondContact O-OG1 3.19Å; V34-T36 PolarHBondContact O-N 3.17Å; T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.82Å; T36-C40 WeakPolarHBondContact O-CB 3.4Å; T36-C40 PolarHBondContact O-N 3.29Å; T36-C40 PolarHBondContact O-SG 3.22Å; T36-M62 HydrophobicContact CG2-CE 4.06Å; T36-M62 HydrophobicContact CG2-SD 3.83Å; T36-M62 WeakPolarHBondContact OG1-CE 3.42Å; T36-M62 PolarHBondContact OG1-SD 2.89Å; T36-M62 VanDerWaalsContact OG1-SD 3.33Å; T36-L90 HydrophobicContact CG2-CD2 3.44Å; T36-L90 VanDerWaalsContact CG2-CD2 3.44Å; T36-V102 HydrophobicContact CG2-CG1 4.38Å; T36-V102 HydrophobicContact CG2-CG2 4.49Å
37M89.9Confident88.5Confident55 Ų5562.7 Ų62.727%0.27131%0.308SS..Hα-helixtrans-60.7-49.7176.1-176.1-179.4105.300111.4P21 I23 R33 V34 E35 L39 C40 V41 M92P21-M37 HydrophobicContact CB-CG 3.81Å; P21-M37 HydrophobicContact CB-SD 4.07Å; P21-M37 HydrophobicContact CG-CE 3.48Å; P21-M37 VanDerWaalsContact CG-CE 3.48Å; P21-M37 HydrophobicContact CG-CG 3.67Å; P21-M37 HydrophobicContact CG-SD 3.6Å; I23-M37 HydrophobicContact CD1-SD 4Å; I23-M37 HydrophobicContact CG1-SD 4.32Å; R33-M37 VanDerWaalsContact O-CB 3.22Å; R33-M37 WeakPolarHBondContact O-CB 3.35Å; R33-M37 PolarHBondContact O-N 3.48Å; V34-M37 WeakPolarHBondContact O-CB 3.27Å; V34-M37 PolarHBondContact O-N 3.26Å; E35-M37 VanDerWaalsContact C-N 3.34Å; M37-L39 VanDerWaalsContact C-N 3.28Å; M37-L39 PolarHBondContact O-N 3.27Å; M37-C40 PolarHBondContact O-N 3.09Å; M37-V41 WeakPolarHBondContact O-CG2 3.18Å; M37-V41 PolarHBondContact O-N 3.46Å; M37-M92 HydrophobicContact CG-SD 4.29Å
38E90.1Very high87.9Confident120 Ų12063 Ų6356%0.56132%0.32SS*.Hα-helixtrans-60.3-39.4177.5-71-174100.500111.9V34 E35 V41 T42V34-E38 WeakPolarHBondContact O-CG 3.28Å; V34-E38 PolarHBondContact O-N 3.15Å; E35-E38 PolarHBondContact O-N 2.79Å; E38-V41 PolarHBondContact O-N 2.96Å; E38-T42 WeakPolarHBondContact O-CB 3.35Å; E38-T42 PolarHBondContact O-N 3.38Å; E38-T42 PolarHBondContact O-OG1 3.21Å
39L91.3Very high87.5Confident27 Ų2769.5 Ų69.514%0.14136%0.361CS..Hα-helixtrans-62.9-43.9175.3-119.6155.6000112.1E35 T36 M37 T42 A43 S61 M62E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 2.81Å; T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.82Å; M37-L39 VanDerWaalsContact C-N 3.28Å; M37-L39 PolarHBondContact O-N 3.27Å; L39-T42 PolarHBondContact O-N 3.23Å; L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 2.8Å; L39-S61 VanDerWaalsContact CD2-CB 3.49Å; L39-M62 HydrophobicContact CB-CE 4.47Å; L39-M62 HydrophobicContact CD1-CE 3.46Å; L39-M62 VanDerWaalsContact CD1-CE 3.46Å
40C90.3Very high87.4Confident0 Ų069.7 Ų69.70%036%0.359CS..Hα-helixtrans-66.7-42.3179.1-65.70000111.7T36 M37 A43 C44 I58 M92 V100T36-C40 WeakPolarHBondContact O-CB 3.4Å; T36-C40 PolarHBondContact O-N 3.29Å; T36-C40 PolarHBondContact O-SG 3.22Å; M37-C40 PolarHBondContact O-N 3.09Å; C40-A43 PolarHBondContact O-N 3.34Å; C40-C44 WeakPolarHBondContact O-CB 3.47Å; C40-C44 PolarHBondContact O-N 2.91Å; C40-C44 PolarHBondContact O-SG 2.8Å; C40-I58 HydrophobicContact CB-CD1 4.11Å; C40-M92 HydrophobicContact CB-CE 3.17Å; C40-M92 HydrophobicContact CB-SD 3.89Å; C40-V100 HydrophobicContact CB-CG1 4.22Å
41V88.8Confident87.4Confident24 Ų2466 Ų6615%0.14534%0.343CS..Hα-helixtrans-60.2-51.7174.7172.10000110.3P21 M37 E38 A43 C44 E45 F94P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.53Å; M37-V41 WeakPolarHBondContact O-CG2 3.18Å; M37-V41 PolarHBondContact O-N 3.46Å; E38-V41 PolarHBondContact O-N 2.96Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.47Å; V41-C44 PolarHBondContact O-N 2.83Å; V41-C44 VanDerWaalsContact O-N 3.14Å; V41-E45 HydrophobicContact CG1-CG 4.3Å; V41-E45 WeakPolarHBondContact CG1-OE2 3.48Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.02Å; V41-F94 HydrophobicContact CB-CE2 4.33Å; V41-F94 HydrophobicContact CG1-CE2 3.92Å; V41-F94 HydrophobicContact CG1-CZ 4.47Å; V41-F94 HydrophobicContact CG2-CD2 4.17Å; V41-F94 HydrophobicContact CG2-CE2 4.09Å
42T90.1Very high87.4Confident75 Ų7565 Ų6546%0.4634%0.339SS..Hα-helixtrans-57.9-42.9-179.7-56.80000111.7E38 L39 K46E38-T42 WeakPolarHBondContact O-CB 3.35Å; E38-T42 PolarHBondContact O-N 3.38Å; E38-T42 PolarHBondContact O-OG1 3.21Å; L39-T42 PolarHBondContact O-N 3.23Å; T42-K46 WeakPolarHBondContact O-CB 3.21Å; T42-K46 PolarHBondContact O-N 2.93Å
43A89.3Confident87.5Confident0 Ų066.6 Ų66.60%035%0.348CS..Hα-helixtrans-68.3-40.9178.400000112.2L39 C40 V41 K46 F47 A54 M57 I58L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 2.8Å; C40-A43 PolarHBondContact O-N 3.34Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.47Å; A43-K46 PolarHBondContact O-N 3.03Å; A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 2.71Å; A43-A54 HydrophobicContact CB-CB 4.31Å; A43-M57 HydrophobicContact CB-CB 4.49Å; A43-M57 HydrophobicContact CB-SD 4.27Å; A43-I58 HydrophobicContact CB-CD1 3.84Å; A43-I58 HydrophobicContact CB-CG1 3.52Å
44C85.6Confident87.6Confident4 Ų463.3 Ų63.33%0.02734%0.335CS..Hα-helixtrans-67.9-38.5177.3-67.50000112.2C40 V41 F47 A48 F94 L98C40-C44 WeakPolarHBondContact O-CB 3.47Å; C40-C44 PolarHBondContact O-N 2.91Å; C40-C44 PolarHBondContact O-SG 2.8Å; V41-C44 PolarHBondContact O-N 2.83Å; V41-C44 VanDerWaalsContact O-N 3.14Å; C44-F47 CarbonylContact O-C 3.56Å; C44-A48 VanDerWaalsContact O-CA 3.24Å; C44-A48 WeakPolarHBondContact O-CA 3.43Å; C44-A48 PolarHBondContact O-N 3.42Å; C44-F94 HydrophobicContact CB-CD1 3.42Å; C44-F94 VanDerWaalsContact CB-CD1 3.42Å; C44-F94 HydrophobicContact CB-CE1 3.53Å; C44-F94 HydrophobicContact CB-CG 4.04Å; C44-F94 HydrophobicContact CB-CZ 4.23Å; C44-L98 HydrophobicContact CB-CD2 4.46Å
45E85.6Confident87.7Confident134 Ų13460.9 Ų60.963%0.62632%0.322SS*.Hα-helixtrans-67.9-42.3174.9-71.6-171.810200111.7V41 F94V41-E45 HydrophobicContact CG1-CG 4.3Å; V41-E45 WeakPolarHBondContact CG1-OE2 3.48Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.02Å; E45-F94 HydrophobicContact CG-CZ 3.84Å
46K87.8Confident87.8Confident137 Ų13763.6 Ų63.660%0.59633%0.333SS*.Hα-helixtrans-70.3-34.2-179.1-171.2172.7-176.7179.10112.9T42 A43 M57T42-K46 WeakPolarHBondContact O-CB 3.21Å; T42-K46 PolarHBondContact O-N 2.93Å; A43-K46 PolarHBondContact O-N 3.03Å; K46-M57 HydrophobicContact CD-CE 4.31Å; K46-M57 HydrophobicContact CD-SD 4.21Å
47F85.9Confident87.9Confident56 Ų5666.1 Ų66.125%0.24635%0.346CS..THydrogen-bonded Turntrans-12445-175.7-60.5-73.6000112.2A43 C44 T49 N50 N53 A54 M57A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 2.71Å; C44-F47 CarbonylContact O-C 3.56Å; F47-T49 PolarHBondContact O-N 3.46Å; F47-T49 VanDerWaalsContact O-N 3.07Å; F47-N50 CarbonylContact O-C 3.41Å; F47-N50 PolarHBondContact O-N 2.93Å; F47-N53 HydrophobicContact CB-CB 4.37Å; F47-N53 HydrophobicContact CD1-CB 3.63Å; F47-N53 HydrophobicContact CD2-CB 4.33Å; F47-N53 HydrophobicContact CE1-CB 3.86Å; F47-N53 HydrophobicContact CG-CB 3.88Å; F47-N53 HydrophobicContact CZ-CB 4.3Å; F47-A54 HydrophobicContact CB-CB 3.93Å; F47-M57 HydrophobicContact CD2-SD 4.29Å; F47-M57 HydrophobicContact CE2-CB 4.23Å; F47-M57 HydrophobicContact CE2-SD 3.65Å
48A75.6Confident88Confident77 Ų7763.5 Ų63.564%0.63633%0.333SS*.THydrogen-bonded Turntrans-56.5-26.9-178.900000114.2C44C44-A48 VanDerWaalsContact O-CA 3.24Å; C44-A48 WeakPolarHBondContact O-CA 3.43Å; C44-A48 PolarHBondContact O-N 3.42Å
49T79.6Confident88.1Confident149 Ų14961.8 Ų61.891%0.91432%0.323SS*.THydrogen-bonded Turntrans-96.6-8.5178.9-6.90000113.6F47F47-T49 PolarHBondContact O-N 3.46Å; F47-T49 VanDerWaalsContact O-N 3.07Å
50N85.9Confident88.2Confident69 Ų6966 Ų6637%0.36934%0.343SS..  trans-14085.4-173.9-164.1-22.3000111.8F47 E52 N53 A54F47-N50 CarbonylContact O-C 3.41Å; F47-N50 PolarHBondContact O-N 2.93Å; N50-E52 PolarHBondContact O-N 2.95Å; N50-E52 PolarHBondContact OD1-N 2.83Å; N50-N53 HydrophobicContact CB-CB 4.37Å; N50-N53 PolarHBondContact ND2-ND2 2.92Å; N50-N53 PolarHBondContact O-N 3.39Å; N50-N53 VanDerWaalsContact O-N 3.17Å; N50-N53 PolarHBondContact OD1-N 3.39Å; N50-A54 PolarHBondContact O-N 3.38Å; N50-A54 VanDerWaalsContact O-N 3.16Å
51N86.2Confident88.2Confident53 Ų5367.6 Ų67.628%0.28335%0.354SS..Hα-helixtrans-57.4-31.8-179.5-63.2-27.7000113.1A54 A55 I74N51-A54 PolarHBondContact O-N 2.74Å; N51-A55 WeakPolarHBondContact O-CB 3Å; N51-A55 PolarHBondContact O-N 3.11Å; N51-I74 HydrophobicContact CB-CB 4.3Å; N51-I74 HydrophobicContact CB-CG2 4.09Å
52E87.9Confident88.3Confident154 Ų15466.5 Ų66.572%0.7235%0.347SS*.Hα-helixtrans-65.7-44.5179.2-169.4-177.898.700111.2N50 A55 K56N50-E52 PolarHBondContact O-N 2.95Å; N50-E52 PolarHBondContact OD1-N 2.83Å; E52-A55 PolarHBondContact O-N 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.45Å; E52-K56 PolarHBondContact O-N 3.26Å
53N89.4Confident88.4Confident62 Ų6264.9 Ų64.933%0.33234%0.335SS..Hα-helixtrans-67.6-37.9176.2-77.9-28.5000112.2F47 N50 K56 M57F47-N53 HydrophobicContact CB-CB 4.37Å; F47-N53 HydrophobicContact CD1-CB 3.63Å; F47-N53 HydrophobicContact CD2-CB 4.33Å; F47-N53 HydrophobicContact CE1-CB 3.86Å; F47-N53 HydrophobicContact CG-CB 3.88Å; F47-N53 HydrophobicContact CZ-CB 4.3Å; N50-N53 HydrophobicContact CB-CB 4.37Å; N50-N53 PolarHBondContact ND2-ND2 2.92Å; N50-N53 PolarHBondContact O-N 3.39Å; N50-N53 VanDerWaalsContact O-N 3.17Å; N50-N53 PolarHBondContact OD1-N 3.39Å; N53-K56 PolarHBondContact O-N 2.98Å; N53-M57 WeakPolarHBondContact O-CB 3.39Å; N53-M57 PolarHBondContact O-N 2.89Å
54A90.9Very high88.4Confident1 Ų173.9 Ų73.91%0.00838%0.375CS..Hα-helixtrans-58.8-50.717300000111A43 F47 N50 N51 K56 M57 I58 I74A43-A54 HydrophobicContact CB-CB 4.31Å; F47-A54 HydrophobicContact CB-CB 3.93Å; N50-A54 PolarHBondContact O-N 3.38Å; N50-A54 VanDerWaalsContact O-N 3.16Å; N51-A54 PolarHBondContact O-N 2.74Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.11Å; A54-M57 PolarHBondContact O-N 2.73Å; A54-I58 WeakPolarHBondContact O-CG1 3.21Å; A54-I58 PolarHBondContact O-N 3.24Å; A54-I58 VanDerWaalsContact O-N 3.09Å; A54-I74 HydrophobicContact CB-CD1 3.56Å
55A91.2Very high88.5Confident16 Ų1679.2 Ų79.213%0.13240%0.397CS..Hα-helixtrans-61.6-42.6-179.900000111.7N51 E52 I58 K59 V72 I74N51-A55 WeakPolarHBondContact O-CB 3Å; N51-A55 PolarHBondContact O-N 3.11Å; E52-A55 PolarHBondContact O-N 3.3Å; A55-I58 PolarHBondContact O-N 3.09Å; A55-K59 WeakPolarHBondContact O-CB 3.47Å; A55-K59 PolarHBondContact O-N 3.45Å; A55-V72 HydrophobicContact CB-CB 4.25Å; A55-V72 HydrophobicContact CB-CG1 3.88Å; A55-I74 HydrophobicContact CB-CD1 3.96Å; A55-I74 HydrophobicContact CB-CG1 4.11Å
56K91.8Very high88.5Confident122 Ų12275.5 Ų75.553%0.5338%0.379SS..Hα-helixtrans-60.5-46.1176.2-173.8179.3175.8-178.20111.9E52 N53 A54 I58 K59 E60E52-K56 WeakPolarHBondContact O-CB 3.45Å; E52-K56 PolarHBondContact O-N 3.26Å; N53-K56 PolarHBondContact O-N 2.98Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.11Å; K56-I58 PolarHBondContact O-N 3.18Å; K56-K59 PolarHBondContact O-N 2.96Å; K56-E60 HydrophobicContact CG-CG 4.38Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.39Å
57M92.9Very high88.4Confident54 Ų5470.6 Ų70.627%0.26637%0.368SS..Hα-helixtrans-61-43.6179.1-174.7-179.9-163.200112.2A43 K46 F47 N53 A54 S61A43-M57 HydrophobicContact CB-CB 4.49Å; A43-M57 HydrophobicContact CB-SD 4.27Å; K46-M57 HydrophobicContact CD-CE 4.31Å; K46-M57 HydrophobicContact CD-SD 4.21Å; F47-M57 HydrophobicContact CD2-SD 4.29Å; F47-M57 HydrophobicContact CE2-CB 4.23Å; F47-M57 HydrophobicContact CE2-SD 3.65Å; N53-M57 WeakPolarHBondContact O-CB 3.39Å; N53-M57 PolarHBondContact O-N 2.89Å; A54-M57 PolarHBondContact O-N 2.73Å; M57-S61 WeakPolarHBondContact O-CB 3.47Å; M57-S61 PolarHBondContact O-N 2.93Å; M57-S61 VanDerWaalsContact O-N 3.11Å; M57-S61 PolarHBondContact O-OG 3.19Å
58I92.4Very high88.2Confident0 Ų072.2 Ų72.20%039%0.386CS..Hα-helixtrans-64.2-48.1177.8-62.7162.8000109.6C40 A43 A54 A55 K56 S61 M62 V72 I74 V100 V102C40-I58 HydrophobicContact CB-CD1 4.11Å; A43-I58 HydrophobicContact CB-CD1 3.84Å; A43-I58 HydrophobicContact CB-CG1 3.52Å; A54-I58 WeakPolarHBondContact O-CG1 3.21Å; A54-I58 PolarHBondContact O-N 3.24Å; A54-I58 VanDerWaalsContact O-N 3.09Å; A55-I58 PolarHBondContact O-N 3.09Å; K56-I58 PolarHBondContact O-N 3.18Å; I58-S61 PolarHBondContact O-N 2.79Å; I58-M62 HydrophobicContact CG2-CG 4.17Å; I58-M62 WeakPolarHBondContact O-CB 3.43Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.29Å; I58-M62 PolarHBondContact O-N 3.47Å; I58-V72 HydrophobicContact CB-CG1 4.23Å; I58-V72 HydrophobicContact CB-CG2 4.15Å; I58-V72 HydrophobicContact CD1-CG1 4.19Å; I58-V72 HydrophobicContact CG2-CG1 4.26Å; I58-V72 HydrophobicContact CG2-CG2 3.81Å; I58-I74 HydrophobicContact CD1-CD1 3.84Å; I58-V100 HydrophobicContact CD1-CG1 4.42Å; I58-V102 HydrophobicContact CG2-CG2 4.12Å
59K91.9Very high88.9Confident83 Ų8371.1 Ų71.136%0.36137%0.374SS..Hα-helixtrans-56.7-53.9178.7175.8174.6174.31660111.7A55 K56 S61 M62 D63 W70 V72A55-K59 WeakPolarHBondContact O-CB 3.47Å; A55-K59 PolarHBondContact O-N 3.45Å; K56-K59 PolarHBondContact O-N 2.96Å; K59-S61 PolarHBondContact O-N 2.91Å; K59-M62 PolarHBondContact O-N 2.94Å; K59-D63 VanDerWaalsContact CE-OD2 3.27Å; K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 WeakPolarHBondContact CG-OD2 3.08Å; K59-D63 WeakPolarHBondContact O-CB 3.32Å; K59-D63 PolarHBondContact O-N 2.95Å; K59-W70 WeakPolarHBondContact CD-O 2.95Å; K59-W70 WeakPolarHBondContact CE-O 3.36Å; K59-W70 PolarHBondContact NZ-O 2.72Å; K59-V72 HydrophobicContact CB-CG2 3.88Å
60E92.3Very high89.5Confident116 Ų11664 Ų6454%0.54233%0.33SS..Hα-helixtrans-59.9-36.4-179-72.6-175.7114.200112.1K56 K64K56-E60 HydrophobicContact CG-CG 4.38Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.39Å; E60-K64 VanDerWaalsContact O-CB 3.32Å; E60-K64 WeakPolarHBondContact O-CB 3.35Å; E60-K64 PolarHBondContact O-N 2.82Å; E60-K64 VanDerWaalsContact O-N 3.15Å
61S92.1Very high89.7Confident34 Ų3464.4 Ų64.424%0.23833%0.33CS..Hα-helixtrans-71.5-41178.4-56.40000112.3L39 M57 I58 K59 K65L39-S61 VanDerWaalsContact CD2-CB 3.49Å; M57-S61 WeakPolarHBondContact O-CB 3.47Å; M57-S61 PolarHBondContact O-N 2.93Å; M57-S61 VanDerWaalsContact O-N 3.11Å; M57-S61 PolarHBondContact O-OG 3.19Å; I58-S61 PolarHBondContact O-N 2.79Å; K59-S61 PolarHBondContact O-N 2.91Å; S61-K65 PolarHBondContact O-N 3.49Å
62M90.4Very high90Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-68.1-46.1176.2-71.8-72.4114.700111.4T36 L39 I58 K59 K64 K65 F66 W70T36-M62 HydrophobicContact CG2-CE 4.06Å; T36-M62 HydrophobicContact CG2-SD 3.83Å; T36-M62 WeakPolarHBondContact OG1-CE 3.42Å; T36-M62 PolarHBondContact OG1-SD 2.89Å; T36-M62 VanDerWaalsContact OG1-SD 3.33Å; L39-M62 HydrophobicContact CB-CE 4.47Å; L39-M62 HydrophobicContact CD1-CE 3.46Å; L39-M62 VanDerWaalsContact CD1-CE 3.46Å; I58-M62 HydrophobicContact CG2-CG 4.17Å; I58-M62 WeakPolarHBondContact O-CB 3.43Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.29Å; I58-M62 PolarHBondContact O-N 3.47Å; K59-M62 PolarHBondContact O-N 2.94Å; M62-K64 PolarHBondContact O-N 2.91Å; M62-K65 PolarHBondContact O-N 3.44Å; M62-K65 VanDerWaalsContact O-N 3.17Å; M62-F66 HydrophobicContact CE-CD2 4.06Å; M62-F66 HydrophobicContact CE-CE2 3.67Å; M62-F66 PolarHBondContact O-N 3.18Å; M62-F66 HydrophobicContact SD-CD2 3.66Å; M62-F66 HydrophobicContact SD-CE2 3.81Å; M62-W70 HydrophobicContact CB-CB 4.14Å; M62-W70 HydrophobicContact CB-CD2 3.84Å; M62-W70 HydrophobicContact CB-CE3 4.39Å; M62-W70 HydrophobicContact CB-CG 3.71Å; M62-W70 HydrophobicContact CG-CD2 4.5Å
63D90.8Very high90.2Very high41 Ų4158.2 Ų58.222%0.21930%0.304CS..Hα-helixtrans-58.1-38.4177-81.9-50.4000111.4K59 G67 S68 S69 W70K59-D63 VanDerWaalsContact CE-OD2 3.27Å; K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 WeakPolarHBondContact CG-OD2 3.08Å; K59-D63 WeakPolarHBondContact O-CB 3.32Å; K59-D63 PolarHBondContact O-N 2.95Å; D63-G67 WeakPolarHBondContact CA-O 3.13Å; D63-G67 CarbonylContact O-C 3.47Å; D63-G67 VanDerWaalsContact O-C 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.05Å; D63-G67 PolarHBondContact O-N 3.35Å; D63-S68 VanDerWaalsContact OD1-C 3.23Å; D63-S68 WeakPolarHBondContact OD1-CA 3.04Å; D63-S69 PolarHBondContact OD1-N 3.23Å; D63-W70 PolarHBondContact OD1-N 3.25Å; D63-W70 VanDerWaalsContact OD1-N 3.11Å
64K90.4Very high90.3Very high190 Ų19056.3 Ų56.383%0.82629%0.294SS*.Hα-helixtrans-71.2-33.8178.8-172.8174.1-178.9178.80113.6E60 M62E60-K64 VanDerWaalsContact O-CB 3.32Å; E60-K64 WeakPolarHBondContact O-CB 3.35Å; E60-K64 PolarHBondContact O-N 2.82Å; E60-K64 VanDerWaalsContact O-N 3.15Å; M62-K64 PolarHBondContact O-N 2.91Å
65K88.1Confident90.1Very high115 Ų11556.9 Ų56.950%0.530%0.3SS..Hα-helixtrans-92.3-42.4-176-74.6-169.1177.9-175.20113.6E35 S61 M62E35-K65 WeakPolarHBondContact OE1-CD 3.35Å; E35-K65 IonicContact OE1-NZ 2.83Å; E35-K65 PolarHBondContact OE1-NZ 3.25Å; E35-K65 IonicContact OE2-NZ 2.71Å; E35-K65 PolarHBondContact OE2-NZ 2.84Å; S61-K65 PolarHBondContact O-N 3.49Å; M62-K65 PolarHBondContact O-N 3.44Å; M62-K65 VanDerWaalsContact O-N 3.17Å
66F84.5Confident89.9Confident57 Ų5763 Ų6325%0.2533%0.326CS..Hα-helixtrans-114.513-168.4-57.9-68.7000113.5M32 E35 M62 W70 K104M32-F66 HydrophobicContact CB-CE1 4.47Å; M32-F66 HydrophobicContact CB-CZ 4.4Å; M32-F66 HydrophobicContact CE-CB 4.36Å; M32-F66 HydrophobicContact CE-CD1 3.28Å; M32-F66 HydrophobicContact CE-CD2 4.48Å; M32-F66 HydrophobicContact CE-CE1 3.52Å; M32-F66 HydrophobicContact CE-CG 3.8Å; M32-F66 HydrophobicContact CE-CZ 4.25Å; M32-F66 HydrophobicContact CG-CE1 4.02Å; M32-F66 HydrophobicContact CG-CE2 4.19Å; M32-F66 HydrophobicContact CG-CZ 3.83Å; E35-F66 WeakPolarHBondContact OE1-CE2 3.14Å; E35-F66 VanDerWaalsContact OE1-CZ 3.31Å; E35-F66 WeakPolarHBondContact OE1-CZ 3.09Å; M62-F66 HydrophobicContact CE-CD2 4.06Å; M62-F66 HydrophobicContact CE-CE2 3.67Å; M62-F66 PolarHBondContact O-N 3.18Å; M62-F66 HydrophobicContact SD-CD2 3.66Å; M62-F66 HydrophobicContact SD-CE2 3.81Å; F66-W70 HydrophobicContact CB-CZ2 3.67Å; F66-W70 HydrophobicContact CD2-CZ2 4.49Å; F66-W70 HydrophobicContact CG-CZ2 4.31Å; F66-K104 PolarHBondContact O-NZ 2.97Å
67G85.6Confident89.4Confident34 Ų3460.7 Ų60.735%0.35134%0.336SS..  trans84.9168.6-179.400000112.8D63 W70D63-G67 WeakPolarHBondContact CA-O 3.13Å; D63-G67 CarbonylContact O-C 3.47Å; D63-G67 VanDerWaalsContact O-C 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.05Å; D63-G67 PolarHBondContact O-N 3.35Å; G67-W70 PolarHBondContact O-NE1 3.43Å; G67-W70 VanDerWaalsContact O-NE1 3.1Å
68S83.1Confident89.1Confident89 Ų8960.7 Ų60.762%0.62234%0.335SS*.SBendtrans-67.4165.9-173.352.50000114.3D63 K104D63-S68 VanDerWaalsContact OD1-C 3.23Å; D63-S68 WeakPolarHBondContact OD1-CA 3.04Å; S68-K104 WeakPolarHBondContact O-CE 3.2Å
69S89.1Confident88.7Confident55 Ų5564.6 Ų64.639%0.38538%0.375SS..  trans86.829.9172.5-51.20000115.5D63 H71 C105D63-S69 PolarHBondContact OD1-N 3.23Å; S69-H71 PolarHBondContact O-ND1 2.78Å; S69-C105 WeakPolarHBondContact CB-O 3.35Å; S69-C105 PolarHBondContact O-N 3.06Å
70W92.1Very high88.3Confident0 Ų064.1 Ų64.10%037%0.373CS..EExtended strand (participates in β ladder)trans-80.6143.4169.9-70.486.1000112.9M28 M32 K59 M62 D63 F66 G67 N88 V102 K104M28-W70 HydrophobicContact CE-CH2 3.67Å; M28-W70 HydrophobicContact CE-CZ3 3.47Å; M28-W70 VanDerWaalsContact CE-CZ3 3.47Å; M32-W70 HydrophobicContact SD-CH2 4.32Å; K59-W70 WeakPolarHBondContact CD-O 2.95Å; K59-W70 WeakPolarHBondContact CE-O 3.36Å; K59-W70 PolarHBondContact NZ-O 2.72Å; M62-W70 HydrophobicContact CB-CB 4.14Å; M62-W70 HydrophobicContact CB-CD2 3.84Å; M62-W70 HydrophobicContact CB-CE3 4.39Å; M62-W70 HydrophobicContact CB-CG 3.71Å; M62-W70 HydrophobicContact CG-CD2 4.5Å; D63-W70 PolarHBondContact OD1-N 3.25Å; D63-W70 VanDerWaalsContact OD1-N 3.11Å; F66-W70 HydrophobicContact CB-CZ2 3.67Å; F66-W70 HydrophobicContact CD2-CZ2 4.49Å; F66-W70 HydrophobicContact CG-CZ2 4.31Å; G67-W70 PolarHBondContact O-NE1 3.43Å; G67-W70 VanDerWaalsContact O-NE1 3.1Å; W70-N88 HydrophobicContact CH2-CB 3.95Å; W70-N88 HydrophobicContact CZ3-CB 4.39Å; W70-V102 HydrophobicContact CE3-CG1 3.62Å; W70-V102 HydrophobicContact CZ3-CG1 3.83Å; W70-K104 HydrophobicContact CD2-CB 4.05Å; W70-K104 HydrophobicContact CD2-CG 4.33Å; W70-K104 HydrophobicContact CE3-CB 4.02Å; W70-K104 HydrophobicContact CH2-CB 4.17Å; W70-K104 HydrophobicContact CZ2-CB 4.18Å; W70-K104 HydrophobicContact CZ2-CD 4Å; W70-K104 HydrophobicContact CZ2-CG 4.5Å; W70-K104 HydrophobicContact CZ3-CB 4.08Å
71H91.1Very high87.9Confident77 Ų7768.1 Ų68.136%0.35639%0.392SS..EExtended strand (participates in β ladder)trans-125.2136.2176.2-64.380.8000108.5S69 V102 W103S69-H71 PolarHBondContact O-ND1 2.78Å; H71-V102 WeakPolarHBondContact O-CA 3.34Å; H71-W103 HydrophobicContact CB-CD2 3.89Å; H71-W103 VanDerWaalsContact CB-CE2 3.45Å; H71-W103 HydrophobicContact CB-CE3 4.34Å; H71-W103 HydrophobicContact CB-CG 4.43Å; H71-W103 HydrophobicContact CB-CH2 4.08Å; H71-W103 HydrophobicContact CB-CZ2 3.57Å; H71-W103 HydrophobicContact CB-CZ3 4.43Å; H71-W103 PolarHBondContact N-O 2.88Å; H71-W103 PolarHBondContact O-N 3.43Å
72V92.7Very high87.6Confident23 Ų2368.5 Ų68.514%0.13939%0.393CS..EExtended strand (participates in β ladder)trans-134.2131.6-178.1-177.90000108.2A55 I58 K59 I74 C101 V102A55-V72 HydrophobicContact CB-CB 4.25Å; A55-V72 HydrophobicContact CB-CG1 3.88Å; I58-V72 HydrophobicContact CB-CG1 4.23Å; I58-V72 HydrophobicContact CB-CG2 4.15Å; I58-V72 HydrophobicContact CD1-CG1 4.19Å; I58-V72 HydrophobicContact CG2-CG1 4.26Å; I58-V72 HydrophobicContact CG2-CG2 3.81Å; K59-V72 HydrophobicContact CB-CG2 3.88Å; V72-I74 HydrophobicContact CG1-CD1 4.44Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-C101 CarbonylContact C-O 3.6Å; V72-C101 WeakPolarHBondContact CA-O 3.44Å; V72-V102 HydrophobicContact CG1-CG2 4.1Å; V72-V102 HydrophobicContact CG2-CG1 4.1Å; V72-V102 HydrophobicContact CG2-CG2 4.15Å
73V91.8Very high87.5Confident54 Ų5475 Ų7533%0.32743%0.432SS..EExtended strand (participates in β ladder)trans-127.5130174.5175.20000108.4F78 V100 C101 W103V73-F78 HydrophobicContact CG1-CD1 4.09Å; V73-F78 HydrophobicContact CG1-CD2 4.09Å; V73-F78 HydrophobicContact CG1-CE1 4.03Å; V73-F78 HydrophobicContact CG1-CE2 4.05Å; V73-F78 HydrophobicContact CG1-CG 4.12Å; V73-F78 HydrophobicContact CG1-CZ 4.02Å; V73-V100 WeakPolarHBondContact O-CA 3.3Å; V73-C101 PolarHBondContact N-O 3.41Å; V73-C101 PolarHBondContact O-N 3.36Å; V73-W103 HydrophobicContact CB-CH2 4.44Å; V73-W103 HydrophobicContact CB-CZ3 4.13Å; V73-W103 HydrophobicContact CG2-CH2 3.49Å; V73-W103 VanDerWaalsContact CG2-CH2 3.49Å; V73-W103 HydrophobicContact CG2-CZ3 3.65Å
74I90.6Very high87.2Confident22 Ų2276.1 Ų76.111%0.11344%0.436CS..EExtended strand (participates in β ladder)trans-128.6130.6176.7-57.1179.5000108.1N51 A54 A55 I58 V72 L98 A99 V100N51-I74 HydrophobicContact CB-CB 4.3Å; N51-I74 HydrophobicContact CB-CG2 4.09Å; A54-I74 HydrophobicContact CB-CD1 3.56Å; A55-I74 HydrophobicContact CB-CD1 3.96Å; A55-I74 HydrophobicContact CB-CG1 4.11Å; I58-I74 HydrophobicContact CD1-CD1 3.84Å; V72-I74 HydrophobicContact CG1-CD1 4.44Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; I74-L98 HydrophobicContact CG2-CD1 3.79Å; I74-L98 HydrophobicContact CG2-CD2 3.58Å; I74-L98 HydrophobicContact CG2-CG 3.62Å; I74-A99 WeakPolarHBondContact CA-O 3.44Å; I74-V100 HydrophobicContact CG1-CG1 4.11Å; I74-V100 HydrophobicContact CG1-CG2 4.17Å; I74-V100 HydrophobicContact CG2-CG2 4.28Å
75G88.2Confident87Confident13 Ų1370.7 Ų70.713%0.13441%0.414CS..EExtended strand (participates in β ladder)trans-179.1162.8177.600000112.6G77 A99G75-G77 VanDerWaalsContact C-N 3.31Å; G75-A99 PolarHBondContact N-O 3.21Å; G75-A99 WeakPolarHBondContact O-CB 3.22Å; G75-A99 PolarHBondContact O-N 3.41Å
76E85.9Confident86.9Confident145 Ų14570.2 Ų70.268%0.67842%0.42SS*.SBendtrans-77.9-19-176.5-63.7176.498.800113.4S97 L98E76-S97 WeakPolarHBondContact CA-O 3.43Å; E76-L98 HydrophobicContact CG-CD1 4.1Å
77G82.4Confident86.9Confident73 Ų7373.8 Ų73.875%0.75344%0.436SS*.SBendtrans-160.9116176.900000111.1G75G75-G77 VanDerWaalsContact C-N 3.31Å
78F85.8Confident87.1Confident54 Ų5472.8 Ų72.824%0.23742%0.422CS..  trans-151.7144172.158.6-91.1000109.9V73 F80 Y91 A99 C101V73-F78 HydrophobicContact CG1-CD1 4.09Å; V73-F78 HydrophobicContact CG1-CD2 4.09Å; V73-F78 HydrophobicContact CG1-CE1 4.03Å; V73-F78 HydrophobicContact CG1-CE2 4.05Å; V73-F78 HydrophobicContact CG1-CG 4.12Å; V73-F78 HydrophobicContact CG1-CZ 4.02Å; F78-F80 HydrophobicContact CD2-CB 4.41Å; F78-F80 AromaticContact CD2-CD1 3.81Å; F78-F80 HydrophobicContact CD2-CD1 3.81Å; F78-F80 AromaticContact CE2-CD1 3.57Å; F78-F80 HydrophobicContact CE2-CD1 3.57Å; F78-F80 HydrophobicContact CE2-CE1 4.05Å; F78-F80 HydrophobicContact CE2-CG 4.41Å; F78-Y91 HydrophobicContact CE2-CE2 4.2Å; F78-Y91 HydrophobicContact CZ-CE2 4.08Å; F78-A99 HydrophobicContact CD1-CB 4.3Å; F78-A99 HydrophobicContact CE1-CB 3.43Å; F78-A99 VanDerWaalsContact CE1-CB 3.43Å; F78-A99 WeakPolarHBondContact CE1-O 3.33Å; F78-A99 HydrophobicContact CZ-CB 3.71Å; F78-C101 HydrophobicContact CE2-CB 3.74Å; F78-C101 HydrophobicContact CZ-CB 3.81Å
79G84.3Confident87.5Confident82 Ų8269 Ų6985%0.84540%0.395SS*.  trans-99140.6162.300000108.4
80F82.8Confident87.6Confident73 Ų7366.4 Ų66.432%0.3238%0.377SS..  trans-136.8139.617570.5-81.5000109.8F78 V82 L89 Y91 C101F78-F80 HydrophobicContact CD2-CB 4.41Å; F78-F80 AromaticContact CD2-CD1 3.81Å; F78-F80 HydrophobicContact CD2-CD1 3.81Å; F78-F80 AromaticContact CE2-CD1 3.57Å; F78-F80 HydrophobicContact CE2-CD1 3.57Å; F78-F80 HydrophobicContact CE2-CE1 4.05Å; F78-F80 HydrophobicContact CE2-CG 4.41Å; F80-V82 HydrophobicContact CB-CG1 4.46Å; F80-V82 HydrophobicContact CD2-CG1 4.22Å; F80-V82 HydrophobicContact CD2-CG2 3.84Å; F80-V82 HydrophobicContact CE2-CG2 4.18Å; F80-L89 HydrophobicContact CE2-CD1 4.38Å; F80-Y91 HydrophobicContact CE1-CD1 4.48Å; F80-Y91 AromaticContact CE1-CD2 3.79Å; F80-Y91 HydrophobicContact CE1-CD2 3.79Å; F80-Y91 AromaticContact CE1-CE2 3.84Å; F80-Y91 HydrophobicContact CE1-CE2 3.84Å; F80-Y91 HydrophobicContact CE1-CG 4.14Å; F80-Y91 HydrophobicContact CZ-CD2 4.12Å; F80-Y91 HydrophobicContact CZ-CG 4.13Å; F80-C101 HydrophobicContact CE1-CB 4.25Å; F80-C101 WeakPolarHBondContact CE2-SG 3.43Å; F80-C101 HydrophobicContact CZ-CB 4.39Å; F80-C101 WeakPolarHBondContact CZ-SG 3.42Å
81E85.1Confident87.5Confident199 Ų19968.2 Ų68.293%0.9338%0.384SS*.  trans-130110.6168.7-174.6172.688.500105.8
82V85.6Confident87.5Confident43 Ų4364.6 Ų64.626%0.26137%0.367SS..  trans-136.3134.7-172-58.70000110.8F80 H84 W103F80-V82 HydrophobicContact CB-CG1 4.46Å; F80-V82 HydrophobicContact CD2-CG1 4.22Å; F80-V82 HydrophobicContact CD2-CG2 3.84Å; F80-V82 HydrophobicContact CE2-CG2 4.18Å; V82-H84 PolarHBondContact O-ND1 3.45Å; V82-W103 HydrophobicContact CG1-CH2 4.41Å; V82-W103 HydrophobicContact CG1-CZ2 3.89Å; V82-W103 HydrophobicContact CG2-CD2 4.1Å; V82-W103 HydrophobicContact CG2-CG 4.09Å
83T87Confident87.3Confident136 Ų13666.1 Ų66.183%0.83437%0.372SS*.  trans-79.7122165.5-49.50000108.1
84H85.7Confident87Confident65 Ų6564.7 Ų64.730%0.30136%0.362SS..  trans-131.2158.5-175.958.7-80.9000110.4V82 W103 K104V82-H84 PolarHBondContact O-ND1 3.45Å; H84-W103 HydrophobicContact CB-CB 4.11Å; H84-W103 HydrophobicContact CB-CG 4.42Å; H84-K104 WeakPolarHBondContact CA-O 3.24Å
85E86.4Confident86.4Confident75 Ų7565.1 Ų65.135%0.3537%0.371SS..  trans-67134.8171.8-168.5-176.511900109.6N88 K104 A106E85-N88 HydrophobicContact CB-CB 4.49Å; E85-N88 PolarHBondContact O-N 3.16Å; E85-N88 PolarHBondContact OE1-ND2 3.17Å; E85-K104 PolarHBondContact N-O 3.05Å; E85-A106 HydrophobicContact CB-CB 4.29Å; E85-A106 HydrophobicContact CG-CB 4.42Å
86V84.6Confident85.6Confident105 Ų10566.1 Ų66.164%0.63638%0.381SS*.THydrogen-bonded Turntrans-54.9143.6178.3-163.80000109.4N88V86-N88 VanDerWaalsContact C-N 3.26Å; V86-N88 PolarHBondContact O-N 3.07Å; V86-N88 PolarHBondContact O-ND2 2.93Å
87K85.9Confident85.3Confident133 Ų13362.1 Ų62.158%0.57837%0.37SS*.THydrogen-bonded Turntrans66.213.9-177.3-49.3-174.5178.6178.30117.1D27 M28D27-K87 VanDerWaalsContact O-CA 3.26Å; D27-K87 WeakPolarHBondContact O-CA 3.44Å; D27-K87 VanDerWaalsContact OD1-CA 3.23Å; D27-K87 WeakPolarHBondContact OD1-CA 3.22Å; D27-K87 PolarHBondContact OD1-N 3.48Å; M28-K87 WeakPolarHBondContact CA-O 3.33Å
88N89.6Confident85.4Confident12 Ų1259.7 Ų59.76%0.06434%0.339CS..  trans-129.341.9179.7-60-82.5000112.2W70 E85 V86 W103 K104W70-N88 HydrophobicContact CH2-CB 3.95Å; W70-N88 HydrophobicContact CZ3-CB 4.39Å; E85-N88 HydrophobicContact CB-CB 4.49Å; E85-N88 PolarHBondContact O-N 3.16Å; E85-N88 PolarHBondContact OE1-ND2 3.17Å; V86-N88 VanDerWaalsContact C-N 3.26Å; V86-N88 PolarHBondContact O-N 3.07Å; V86-N88 PolarHBondContact O-ND2 2.93Å; N88-W103 CarbonylContact O-C 3.53Å; N88-W103 WeakPolarHBondContact O-CA 3.42Å; N88-K104 HydrophobicContact CB-CB 3.57Å; N88-K104 HydrophobicContact CB-CD 4.45Å; N88-K104 PolarHBondContact O-N 2.95Å
89L90.8Very high85.6Confident10 Ų1057.3 Ų57.35%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-126.6130.6175.2178.970.8000110.9T26 D27 F80 W103T26-L89 WeakPolarHBondContact CA-O 3.36Å; T26-L89 PolarHBondContact OG1-O 2.97Å; D27-L89 PolarHBondContact N-O 2.84Å; F80-L89 HydrophobicContact CE2-CD1 4.38Å; L89-W103 HydrophobicContact CD1-CB 3.62Å
90L91Very high85.9Confident1 Ų153.4 Ų53.41%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-132.9125.1171.7178.869.1000109.3I23 M28 R33 T36 M92 C101 V102I23-L90 HydrophobicContact CG2-CD1 4.2Å; M28-L90 HydrophobicContact CE-CB 3.73Å; M28-L90 HydrophobicContact SD-CB 3.85Å; R33-L90 HydrophobicContact CG-CD1 4.48Å; T36-L90 HydrophobicContact CG2-CD2 3.44Å; T36-L90 VanDerWaalsContact CG2-CD2 3.44Å; L90-M92 HydrophobicContact CD2-SD 4.34Å; L90-C101 CarbonylContact O-C 3.58Å; L90-C101 WeakPolarHBondContact O-CA 3.39Å; L90-V102 HydrophobicContact CB-CB 4.4Å; L90-V102 PolarHBondContact N-O 3.28Å; L90-V102 PolarHBondContact O-N 3.23Å
91Y91.3Very high86.3Confident38 Ų3850 Ų5015%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-126.2118.8172.3-178.7-129.3000109.5R24 H25 F78 F80 F93 A99 C101R24-Y91 HydrophobicContact CB-CD1 3.48Å; R24-Y91 VanDerWaalsContact CB-CD1 3.48Å; R24-Y91 HydrophobicContact CB-CE1 3.77Å; R24-Y91 HydrophobicContact CB-CG 4.32Å; R24-Y91 HydrophobicContact CG-CD1 3.56Å; R24-Y91 HydrophobicContact CG-CE1 3.53Å; R24-Y91 PolarHBondContact N-O 3.29Å; H25-Y91 PolarHBondContact N-O 3.33Å; H25-Y91 WeakPolarHBondContact O-CA 3.45Å; H25-Y91 PolarHBondContact O-N 3.14Å; H25-Y91 VanDerWaalsContact O-O 3.07Å; F78-Y91 HydrophobicContact CE2-CE2 4.2Å; F78-Y91 HydrophobicContact CZ-CE2 4.08Å; F80-Y91 HydrophobicContact CE1-CD1 4.48Å; F80-Y91 AromaticContact CE1-CD2 3.79Å; F80-Y91 HydrophobicContact CE1-CD2 3.79Å; F80-Y91 AromaticContact CE1-CE2 3.84Å; F80-Y91 HydrophobicContact CE1-CE2 3.84Å; F80-Y91 HydrophobicContact CE1-CG 4.14Å; F80-Y91 HydrophobicContact CZ-CD2 4.12Å; F80-Y91 HydrophobicContact CZ-CG 4.13Å; Y91-F93 AromaticContact CE1-CE2 3.87Å; Y91-F93 HydrophobicContact CE1-CE2 3.87Å; Y91-F93 HydrophobicContact CE1-CZ 4.07Å; Y91-F93 AromaticContact CZ-CE2 3.85Å; Y91-F93 AromaticContact CZ-CZ 3.66Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.46Å; Y91-A99 HydrophobicContact CE2-CB 4.03Å; Y91-C101 HydrophobicContact CD2-CB 3.94Å
92M90.6Very high86.7Confident0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-140.4163.3-177.568.7175-135.700111.7P21 L22 I23 M37 C40 L90 F94 V100P21-M92 HydrophobicContact CB-CE 4.12Å; P21-M92 HydrophobicContact CB-SD 4.11Å; L22-M92 CarbonylContact O-C 3.3Å; L22-M92 WeakPolarHBondContact O-CA 3.4Å; L22-M92 WeakPolarHBondContact O-CB 3.31Å; I23-M92 HydrophobicContact CG1-CB 4.45Å; M37-M92 HydrophobicContact CG-SD 4.29Å; C40-M92 HydrophobicContact CB-CE 3.17Å; C40-M92 HydrophobicContact CB-SD 3.89Å; L90-M92 HydrophobicContact CD2-SD 4.34Å; M92-F94 HydrophobicContact CE-CB 4.44Å; M92-V100 HydrophobicContact CE-CB 4.12Å; M92-V100 HydrophobicContact CE-CG1 4.47Å; M92-V100 HydrophobicContact CE-CG2 4.08Å; M92-V100 HydrophobicContact CG-CB 3.9Å; M92-V100 PolarHBondContact N-O 3.15Å; M92-V100 PolarHBondContact O-N 2.88Å; M92-V100 VanDerWaalsContact O-O 3.13Å
93F88.7Confident87Confident56 Ų5639.6 Ų39.625%0.24622%0.222CC..EExtended strand (participates in β ladder)trans-113.6145.4172-68.6-87.8000110.3P21 L22 R24 Y91 L98 A99P21-F93 CarbonylContact C-O 3.56Å; P21-F93 WeakPolarHBondContact CA-O 3.28Å; L22-F93 HydrophobicContact CB-CB 4.43Å; L22-F93 PolarHBondContact N-O 3.34Å; L22-F93 PolarHBondContact O-N 2.83Å; R24-F93 HydrophobicContact CB-CD2 4Å; R24-F93 HydrophobicContact CB-CE2 3.78Å; R24-F93 HydrophobicContact CG-CE2 3.9Å; Y91-F93 AromaticContact CE1-CE2 3.87Å; Y91-F93 HydrophobicContact CE1-CE2 3.87Å; Y91-F93 HydrophobicContact CE1-CZ 4.07Å; Y91-F93 AromaticContact CZ-CE2 3.85Å; Y91-F93 AromaticContact CZ-CZ 3.66Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.46Å; F93-L98 CarbonylContact C-O 3.46Å; F93-L98 VanDerWaalsContact CA-O 3.29Å; F93-L98 WeakPolarHBondContact CA-O 3.33Å; F93-A99 HydrophobicContact CD1-CB 3.75Å; F93-A99 HydrophobicContact CE1-CB 3.6Å; F93-A99 HydrophobicContact CZ-CB 4.41Å
94F83.9Confident87.2Confident24 Ų2434.7 Ų34.711%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-139145.4178.7-174.5-97.8000109.5S19 V41 C44 E45 M92 G96 L98S19-F94 WeakPolarHBondContact O-CE2 3.16Å; V41-F94 HydrophobicContact CB-CE2 4.33Å; V41-F94 HydrophobicContact CG1-CE2 3.92Å; V41-F94 HydrophobicContact CG1-CZ 4.47Å; V41-F94 HydrophobicContact CG2-CD2 4.17Å; V41-F94 HydrophobicContact CG2-CE2 4.09Å; C44-F94 HydrophobicContact CB-CD1 3.42Å; C44-F94 VanDerWaalsContact CB-CD1 3.42Å; C44-F94 HydrophobicContact CB-CE1 3.53Å; C44-F94 HydrophobicContact CB-CG 4.04Å; C44-F94 HydrophobicContact CB-CZ 4.23Å; E45-F94 HydrophobicContact CG-CZ 3.84Å; M92-F94 HydrophobicContact CE-CB 4.44Å; F94-G96 PolarHBondContact O-N 3.15Å; F94-L98 PolarHBondContact N-O 3.45Å; F94-L98 WeakPolarHBondContact O-CA 3.43Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 2.83Å
95G77.9Confident87.1Confident30 Ų3033.5 Ų33.531%0.30919%0.187SC..THydrogen-bonded Turntrans60.78.8-173.200000113.5H18 S97H18-G95 VanDerWaalsContact CB-C 3.49Å; H18-G95 PolarHBondContact ND1-O 2.88Å; H18-G95 CarbonylContact O-C 3.48Å; H18-G95 WeakPolarHBondContact O-CA 3.43Å; H18-G95 PolarHBondContact O-N 3.46Å; G95-S97 PolarHBondContact O-N 3.25Å
96G72.8Confident86Confident34 Ų3436.4 Ų36.435%0.35122%0.224SC..THydrogen-bonded Turntrans34.412.6-165.100000119.6H18 F94H18-G96 WeakPolarHBondContact CE1-CA 3.43Å; H18-G96 PolarHBondContact CE1-O 2.97Å; H18-G96 WeakPolarHBondContact ND1-CA 3.35Å; H18-G96 PolarHBondContact ND1-N 2.9Å; H18-G96 VanDerWaalsContact ND1-N 3.18Å; F94-G96 PolarHBondContact O-N 3.15Å
97S78.2Confident86.1Confident62 Ų6233 Ų3343%0.43420%0.203SC..THydrogen-bonded Turntrans-106.6-27154.558.50000111.9E76 G95E76-S97 WeakPolarHBondContact CA-O 3.43Å; G95-S97 PolarHBondContact O-N 3.25Å
98L86.3Confident86.1Confident22 Ų2227.7 Ų27.712%0.11518%0.184CC..EExtended strand (participates in β ladder)trans-88.5121.4-173.7-158.872.5000110.5C44 I74 E76 F93 F94C44-L98 HydrophobicContact CB-CD2 4.46Å; I74-L98 HydrophobicContact CG2-CD1 3.79Å; I74-L98 HydrophobicContact CG2-CD2 3.58Å; I74-L98 HydrophobicContact CG2-CG 3.62Å; E76-L98 HydrophobicContact CG-CD1 4.1Å; F93-L98 CarbonylContact C-O 3.46Å; F93-L98 VanDerWaalsContact CA-O 3.29Å; F93-L98 WeakPolarHBondContact CA-O 3.33Å; F94-L98 PolarHBondContact N-O 3.45Å; F94-L98 WeakPolarHBondContact O-CA 3.43Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 2.83Å
99A89.2Confident85.9Confident3 Ų328.6 Ų28.63%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-94.1141.1169.400000110.1I74 G75 F78 Y91 F93I74-A99 WeakPolarHBondContact CA-O 3.44Å; G75-A99 PolarHBondContact N-O 3.21Å; G75-A99 WeakPolarHBondContact O-CB 3.22Å; G75-A99 PolarHBondContact O-N 3.41Å; F78-A99 HydrophobicContact CD1-CB 4.3Å; F78-A99 HydrophobicContact CE1-CB 3.43Å; F78-A99 VanDerWaalsContact CE1-CB 3.43Å; F78-A99 WeakPolarHBondContact CE1-O 3.33Å; F78-A99 HydrophobicContact CZ-CB 3.71Å; Y91-A99 HydrophobicContact CE2-CB 4.03Å; F93-A99 HydrophobicContact CD1-CB 3.75Å; F93-A99 HydrophobicContact CE1-CB 3.6Å; F93-A99 HydrophobicContact CZ-CB 4.41Å
100V90.9Very high85.6Confident1 Ų129.6 Ų29.61%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-125.1119.9175.5-177.70000107.8C40 I58 V73 I74 M92 V102C40-V100 HydrophobicContact CB-CG1 4.22Å; I58-V100 HydrophobicContact CD1-CG1 4.42Å; V73-V100 WeakPolarHBondContact O-CA 3.3Å; I74-V100 HydrophobicContact CG1-CG1 4.11Å; I74-V100 HydrophobicContact CG1-CG2 4.17Å; I74-V100 HydrophobicContact CG2-CG2 4.28Å; M92-V100 HydrophobicContact CE-CB 4.12Å; M92-V100 HydrophobicContact CE-CG1 4.47Å; M92-V100 HydrophobicContact CE-CG2 4.08Å; M92-V100 HydrophobicContact CG-CB 3.9Å; M92-V100 PolarHBondContact N-O 3.15Å; M92-V100 PolarHBondContact O-N 2.88Å; M92-V100 VanDerWaalsContact O-O 3.13Å; V100-V102 HydrophobicContact CG1-CG2 4.08Å
101C91.8Very high85.3Confident0 Ų031.4 Ų31.40%021%0.21CC..EExtended strand (participates in β ladder)trans-118.4128.1174.7-1710000109.2V72 V73 F78 F80 L90 Y91 W103V72-C101 CarbonylContact C-O 3.6Å; V72-C101 WeakPolarHBondContact CA-O 3.44Å; V73-C101 PolarHBondContact N-O 3.41Å; V73-C101 PolarHBondContact O-N 3.36Å; F78-C101 HydrophobicContact CE2-CB 3.74Å; F78-C101 HydrophobicContact CZ-CB 3.81Å; F80-C101 HydrophobicContact CE1-CB 4.25Å; F80-C101 WeakPolarHBondContact CE2-SG 3.43Å; F80-C101 HydrophobicContact CZ-CB 4.39Å; F80-C101 WeakPolarHBondContact CZ-SG 3.42Å; L90-C101 CarbonylContact O-C 3.58Å; L90-C101 WeakPolarHBondContact O-CA 3.39Å; Y91-C101 HydrophobicContact CD2-CB 3.94Å; C101-W103 HydrophobicContact CB-CE3 4.41Å; C101-W103 HydrophobicContact CB-CZ3 4.25Å; C101-W103 VanDerWaalsContact SG-CE3 3.59Å
102V92.6Very high84.9Confident0 Ų031 Ų310%021%0.214CC..EExtended strand (participates in β ladder)trans-129.4125.4179.5-177.30000107.7T36 I58 W70 H71 V72 L90 V100T36-V102 HydrophobicContact CG2-CG1 4.38Å; T36-V102 HydrophobicContact CG2-CG2 4.49Å; I58-V102 HydrophobicContact CG2-CG2 4.12Å; W70-V102 HydrophobicContact CE3-CG1 3.62Å; W70-V102 HydrophobicContact CZ3-CG1 3.83Å; H71-V102 WeakPolarHBondContact O-CA 3.34Å; V72-V102 HydrophobicContact CG1-CG2 4.1Å; V72-V102 HydrophobicContact CG2-CG1 4.1Å; V72-V102 HydrophobicContact CG2-CG2 4.15Å; L90-V102 HydrophobicContact CB-CB 4.4Å; L90-V102 PolarHBondContact N-O 3.28Å; L90-V102 PolarHBondContact O-N 3.23Å; V100-V102 HydrophobicContact CG1-CG2 4.08Å
103W92.3Very high84.5Confident25 Ų2533.2 Ų33.210%0.09523%0.23CC..EExtended strand (participates in β ladder)trans-145.2158.3175.172.296.8000112.4H71 V73 V82 H84 N88 L89 C101 C105H71-W103 HydrophobicContact CB-CD2 3.89Å; H71-W103 VanDerWaalsContact CB-CE2 3.45Å; H71-W103 HydrophobicContact CB-CE3 4.34Å; H71-W103 HydrophobicContact CB-CG 4.43Å; H71-W103 HydrophobicContact CB-CH2 4.08Å; H71-W103 HydrophobicContact CB-CZ2 3.57Å; H71-W103 HydrophobicContact CB-CZ3 4.43Å; H71-W103 PolarHBondContact N-O 2.88Å; H71-W103 PolarHBondContact O-N 3.43Å; V73-W103 HydrophobicContact CB-CH2 4.44Å; V73-W103 HydrophobicContact CB-CZ3 4.13Å; V73-W103 HydrophobicContact CG2-CH2 3.49Å; V73-W103 VanDerWaalsContact CG2-CH2 3.49Å; V73-W103 HydrophobicContact CG2-CZ3 3.65Å; V82-W103 HydrophobicContact CG1-CH2 4.41Å; V82-W103 HydrophobicContact CG1-CZ2 3.89Å; V82-W103 HydrophobicContact CG2-CD2 4.1Å; V82-W103 HydrophobicContact CG2-CG 4.09Å; H84-W103 HydrophobicContact CB-CB 4.11Å; H84-W103 HydrophobicContact CB-CG 4.42Å; N88-W103 CarbonylContact O-C 3.53Å; N88-W103 WeakPolarHBondContact O-CA 3.42Å; L89-W103 HydrophobicContact CD1-CB 3.62Å; C101-W103 HydrophobicContact CB-CE3 4.41Å; C101-W103 HydrophobicContact CB-CZ3 4.25Å; C101-W103 VanDerWaalsContact SG-CE3 3.59Å; W103-C105 VanDerWaalsContact CD1-SG 3.56Å; W103-C105 PolarHBondContact NE1-SG 3.4Å
104K90.6Very high84.2Confident33 Ų3331.5 Ų31.514%0.14323%0.228CC..EExtended strand (participates in β ladder)trans-106.9131.5172.1-166.5179.3176.9-178.50110.3F66 S68 W70 H84 E85 N88F66-K104 PolarHBondContact O-NZ 2.97Å; S68-K104 WeakPolarHBondContact O-CE 3.2Å; W70-K104 HydrophobicContact CD2-CB 4.05Å; W70-K104 HydrophobicContact CD2-CG 4.33Å; W70-K104 HydrophobicContact CE3-CB 4.02Å; W70-K104 HydrophobicContact CH2-CB 4.17Å; W70-K104 HydrophobicContact CZ2-CB 4.18Å; W70-K104 HydrophobicContact CZ2-CD 4Å; W70-K104 HydrophobicContact CZ2-CG 4.5Å; W70-K104 HydrophobicContact CZ3-CB 4.08Å; H84-K104 WeakPolarHBondContact CA-O 3.24Å; E85-K104 PolarHBondContact N-O 3.05Å; N88-K104 HydrophobicContact CB-CB 3.57Å; N88-K104 HydrophobicContact CB-CD 4.45Å; N88-K104 PolarHBondContact O-N 2.95Å
105C84.4Confident84.2Confident39 Ų3932.1 Ų32.126%0.26424%0.239SC..  trans-98.1128.8167.7-67.90000108.1S69 W103S69-C105 WeakPolarHBondContact CB-O 3.35Å; S69-C105 PolarHBondContact O-N 3.06Å; W103-C105 VanDerWaalsContact CD1-SG 3.56Å; W103-C105 PolarHBondContact NE1-SG 3.4Å
106A63.4Low84.8Confident136 Ų13632.3 Ų32.3100%1.12423%0.232SC*.  trans-78.70170.600000110.6E85E85-A106 HydrophobicContact CB-CB 4.29Å; E85-A106 HydrophobicContact CG-CB 4.42Å

Retrieved 106 of 106 residues in 570.8 ms (Link to these results)

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