A0A087XV70_POEFO Loading...

Cyclin-dependent kinases regulatory subunit

Binds to the catalytic subunit of the cyclin dependent kinases and is essential for their biological function.

AlphaFold DB (A0A3Q1AWW7), UniProt , Accession A0A087XV70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 78 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
1M40.5Very low79.1Confident240 Ų240117.3 Ų117.3100%1.18257%0.566SS**  0850-65.3-130.4-88.800108H3M1-H3 PolarHBondContact O-N 3.4Å; M1-H3 VanDerWaalsContact O-N 3.15Å
2S46.7Very low80.7Confident114 Ų114116 Ų11680%0.79755%0.552SS**  trans-75.7107.8-167.563.90000111.2K4S2-K4 PolarHBondContact O-N 3.41Å
3H50Low81.9Confident159 Ų159113.7 Ų113.774%0.73655%0.545SS*.  trans3.796.7163.3-58.5-81.6000116.6M1 Q5M1-H3 PolarHBondContact O-N 3.4Å; M1-H3 VanDerWaalsContact O-N 3.15Å; H3-Q5 PolarHBondContact O-N 3.14Å
4K64.2Low82.9Confident187 Ų187110 Ų11081%0.81353%0.53SS*.  trans-70.124163.7-66.9-178.7174.5179.10112.7S2S2-K4 PolarHBondContact O-N 3.41Å
5Q85.9Confident83.8Confident148 Ų148108.9 Ų108.969%0.69253%0.528SS*.PPolyproline II helixtrans-103.6131-167.7-160.4165.75.700109.4H3 Y7H3-Q5 PolarHBondContact O-N 3.14Å; Q5-Y7 PolarHBondContact O-N 3.39Å
6I95.9Very high84.6Confident23 Ų23110.8 Ų110.812%0.11853%0.532CS..PPolyproline II helixtrans-61.6128.5171.3-65.9172.2000108Y8 V22 L24 I28 G47 V48I6-Y8 HydrophobicContact CB-CE2 4.08Å; I6-Y8 HydrophobicContact CG2-CD2 4.34Å; I6-Y8 HydrophobicContact CG2-CE1 4.28Å; I6-Y8 HydrophobicContact CG2-CE2 3.7Å; I6-Y8 WeakPolarHBondContact O-CD2 3.49Å; I6-Y8 WeakPolarHBondContact O-CE2 3.5Å; I6-V22 HydrophobicContact CG2-CG1 3.2Å; I6-L24 HydrophobicContact CD1-CD2 4.12Å; I6-L24 HydrophobicContact CG1-CD2 4.13Å; I6-L24 HydrophobicContact CG2-CD2 4.29Å; I6-I28 HydrophobicContact CD1-CD1 4.24Å; I6-I28 HydrophobicContact CG1-CD1 4.25Å; I6-G47 WeakPolarHBondContact CD1-O 3.49Å; I6-V48 HydrophobicContact CD1-CG2 4.22Å
7Y97.1Very high85.4Confident123 Ų123108.4 Ų108.448%0.48252%0.517SS..EExtended strand (participates in β ladder)trans-93.8139.4176.5169.4-93.7000110.3Q5 V22 M23Q5-Y7 PolarHBondContact O-N 3.39Å; Y7-V22 CarbonylContact O-C 3.58Å; Y7-V22 VanDerWaalsContact O-CA 3.31Å; Y7-V22 WeakPolarHBondContact O-CA 3.42Å; Y7-V22 WeakPolarHBondContact O-CG1 3.37Å; Y7-M23 HydrophobicContact CD1-CB 4.14Å; Y7-M23 HydrophobicContact CD1-CG 4Å; Y7-M23 HydrophobicContact CD1-SD 3.92Å; Y7-M23 HydrophobicContact CE1-SD 4.37Å; Y7-M23 PolarHBondContact N-O 3.15Å; Y7-M23 PolarHBondContact O-N 2.91Å
8Y97.4Very high86.1Confident68 Ų68104.2 Ų104.227%0.26750%0.497SS..EExtended strand (participates in β ladder)trans-120.2123.4178.4-59.8-97.3000107.9I6 V22 V48 Q49 Q50I6-Y8 HydrophobicContact CB-CE2 4.08Å; I6-Y8 HydrophobicContact CG2-CD2 4.34Å; I6-Y8 HydrophobicContact CG2-CE1 4.28Å; I6-Y8 HydrophobicContact CG2-CE2 3.7Å; I6-Y8 WeakPolarHBondContact O-CD2 3.49Å; I6-Y8 WeakPolarHBondContact O-CE2 3.5Å; Y8-V22 HydrophobicContact CD1-CG1 4.33Å; Y8-V22 HydrophobicContact CD1-CG2 3.62Å; Y8-V22 HydrophobicContact CE1-CG1 4.21Å; Y8-V22 HydrophobicContact CE1-CG2 3.96Å; Y8-V22 HydrophobicContact CG-CG2 4.49Å; Y8-V48 HydrophobicContact CE1-CG1 4.17Å; Y8-Q49 VanDerWaalsContact CE1-O 3.28Å; Y8-Q49 WeakPolarHBondContact CE1-O 3.41Å; Y8-Q49 PolarHBondContact OH-N 2.99Å; Y8-Q50 HydrophobicContact CE1-CG 4.23Å
9S97.8Very high86.7Confident4 Ų4100.2 Ų100.23%0.02848%0.477CS..PPolyproline II helixtrans-65.7164.8176.177.10000111.8R20 H21S9-R20 PolarHBondContact O-NE 2.93Å; S9-R20 PolarHBondContact O-NH2 2.88Å; S9-H21 WeakPolarHBondContact CB-CE1 3.38Å; S9-H21 WeakPolarHBondContact CB-ND1 3.27Å; S9-H21 WeakPolarHBondContact CB-NE2 3.49Å; S9-H21 WeakPolarHBondContact CB-O 3.39Å; S9-H21 PolarHBondContact N-O 3.32Å; S9-H21 PolarHBondContact OG-N 2.89Å; S9-H21 PolarHBondContact OG-ND1 2.89Å; S9-H21 PolarHBondContact OG-O 2.81Å
10D97.7Very high87.3Confident133 Ų13397.6 Ų97.671%0.71146%0.462SS*.PPolyproline II helixtrans-59154.7158.7-66.9-38.8000110.3
11K97.4Very high87.8Confident91 Ų9195.2 Ų95.240%0.39645%0.45SS..PPolyproline II helixtrans-85.1146.6177.7-53-171.8-166.1170.50109.4E18 Y19 W54K11-E18 HydrophobicContact CB-CG 4.07Å; K11-E18 HydrophobicContact CD-CG 4.12Å; K11-E18 WeakPolarHBondContact CD-OE1 3.49Å; K11-E18 WeakPolarHBondContact CD-OE2 3.46Å; K11-E18 IonicContact NZ-OE1 2.72Å; K11-E18 PolarHBondContact NZ-OE1 3.03Å; K11-E18 IonicContact NZ-OE2 3.2Å; K11-E18 PolarHBondContact NZ-OE2 3.45Å; K11-Y19 VanDerWaalsContact CA-O 3.31Å; K11-Y19 WeakPolarHBondContact CA-O 3.25Å; K11-W54 HydrophobicContact CD-CH2 4.47Å; K11-W54 HydrophobicContact CD-CZ2 4.15Å
12Y97.4Very high90.5Very high102 Ų10283.8 Ų83.840%0.439%0.394SS..EExtended strand (participates in β ladder)trans-140.1149.4175.550.1-83.2000108.5Y19Y12-Y19 HydrophobicContact CD2-CD2 4.19Å; Y12-Y19 HydrophobicContact CD2-CG 4.22Å; Y12-Y19 HydrophobicContact CE2-CD2 4.27Å; Y12-Y19 AromaticContact CE2-CG 3.9Å; Y12-Y19 HydrophobicContact CE2-CG 3.9Å; Y12-Y19 PolarHBondContact N-O 3.3Å; Y12-Y19 VanDerWaalsContact N-O 3.11Å; Y12-Y19 WeakPolarHBondContact O-CA 3.24Å; Y12-Y19 WeakPolarHBondContact O-CB 3.12Å; Y12-Y19 PolarHBondContact O-N 2.98Å
13D96.8Very high93Very high86 Ų8681.3 Ų81.346%0.4637%0.371SS..EExtended strand (participates in β ladder)trans-127.9150.8-175.258.1-82000112.3Y17 L73 K77D13-Y17 VanDerWaalsContact CA-O 3.24Å; D13-Y17 WeakPolarHBondContact CA-O 3.5Å; D13-Y17 WeakPolarHBondContact CB-O 3.48Å; D13-L73 HydrophobicContact CB-CD1 4.41Å; D13-L73 HydrophobicContact CB-CD2 4.33Å; D13-K77 IonicContact OD2-NZ 3.52Å; D13-K77 PolarHBondContact OD2-NZ 2.72Å
14D95.9Very high95.2Very high62 Ų6274.1 Ų74.133%0.33234%0.338SS..  trans-104.4-166.215769.220.1000109.1K16 Y17 Y19 L73D14-K16 PolarHBondContact O-N 3.11Å; D14-K16 WeakPolarHBondContact OD1-CA 3.5Å; D14-K16 PolarHBondContact OD1-N 3.19Å; D14-Y17 PolarHBondContact N-O 3.22Å; D14-Y17 PolarHBondContact OD1-N 2.92Å; D14-Y19 HydrophobicContact CB-CE2 4.08Å; D14-Y19 VanDerWaalsContact CG-CE2 3.48Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.31Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.46Å; D14-Y19 PolarHBondContact OD2-OH 3.01Å; D14-L73 VanDerWaalsContact O-CD1 3.26Å; D14-L73 WeakPolarHBondContact O-CD1 3.46Å
15D96.4Very high96.7Very high94 Ų9466.2 Ų66.250%0.50331%0.305SS..SBendtrans-66.9-17.5-178.4-60.1-37.2000114.1P76 K77D15-P76 CarbonylContact O-C 3.44Å; D15-P76 WeakPolarHBondContact O-CA 3.32Å; D15-P76 WeakPolarHBondContact O-CB 3.38Å; D15-K77 HydrophobicContact CB-CB 4.08Å; D15-K77 PolarHBondContact O-N 3.32Å
16K96.3Very high97Very high138 Ų13868 Ų6860%0.631%0.311SS*.SBendtrans-120.8-30.1-170.7-63.6-178.5-177177.60113.9D14 L73D14-K16 PolarHBondContact O-N 3.11Å; D14-K16 WeakPolarHBondContact OD1-CA 3.5Å; D14-K16 PolarHBondContact OD1-N 3.19Å; K16-L73 PolarHBondContact O-N 2.98Å
17Y97.7Very high96.8Very high70 Ų7071.5 Ų71.528%0.27533%0.33SS..EExtended strand (participates in β ladder)trans-135.9146.7-170.2-62.5-83.2000112.1D13 D14 Y19 R70 R71 P72D13-Y17 VanDerWaalsContact CA-O 3.24Å; D13-Y17 WeakPolarHBondContact CA-O 3.5Å; D13-Y17 WeakPolarHBondContact CB-O 3.48Å; D14-Y17 PolarHBondContact N-O 3.22Å; D14-Y17 PolarHBondContact OD1-N 2.92Å; Y17-Y19 WeakPolarHBondContact O-CE2 3.48Å; Y17-R70 HydrophobicContact CD1-CB 4.44Å; Y17-R70 HydrophobicContact CD1-CG 4.18Å; Y17-R71 CarbonylContact C-O 3.46Å; Y17-R71 VanDerWaalsContact CA-O 3.3Å; Y17-R71 WeakPolarHBondContact CA-O 3.45Å; Y17-P72 HydrophobicContact CD1-CG 4.47Å; Y17-P72 HydrophobicContact CE1-CG 4.21Å
18E97.8Very high96.7Very high33 Ų3367.1 Ų67.115%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-94.9138161.2-167.7-170.4-126.800108.5K11 W54 R70 R71 L73K11-E18 HydrophobicContact CB-CG 4.07Å; K11-E18 HydrophobicContact CD-CG 4.12Å; K11-E18 WeakPolarHBondContact CD-OE1 3.49Å; K11-E18 WeakPolarHBondContact CD-OE2 3.46Å; K11-E18 IonicContact NZ-OE1 2.72Å; K11-E18 PolarHBondContact NZ-OE1 3.03Å; K11-E18 IonicContact NZ-OE2 3.2Å; K11-E18 PolarHBondContact NZ-OE2 3.45Å; E18-W54 HydrophobicContact CB-CH2 4.46Å; E18-W54 HydrophobicContact CG-CH2 4.12Å; E18-W54 VanDerWaalsContact O-CZ3 3.3Å; E18-W54 WeakPolarHBondContact O-CZ3 3.42Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.43Å; E18-R70 CarbonylContact O-C 3.19Å; E18-R70 VanDerWaalsContact O-CA 3.24Å; E18-R70 WeakPolarHBondContact O-CA 3.41Å; E18-R71 HydrophobicContact CB-CG 4.16Å; E18-R71 PolarHBondContact N-O 2.97Å; E18-R71 PolarHBondContact O-N 3.4Å; E18-R71 IonicContact OE1-NH2 3.24Å; E18-R71 IonicContact OE2-CZ 3.86Å; E18-R71 IonicContact OE2-NE 3.05Å; E18-R71 PolarHBondContact OE2-NE 3.28Å; E18-R71 IonicContact OE2-NH2 2.7Å; E18-R71 PolarHBondContact OE2-NH2 3.21Å; E18-L73 HydrophobicContact CB-CD2 3.99Å
19Y98.4Very high96.5Very high29 Ų2964.7 Ų64.711%0.11431%0.308CS..EExtended strand (participates in β ladder)trans-122.8156.3-174.9-59.1-89000111.2K11 Y12 D14 Y17 Y57 F69 R70K11-Y19 VanDerWaalsContact CA-O 3.31Å; K11-Y19 WeakPolarHBondContact CA-O 3.25Å; Y12-Y19 HydrophobicContact CD2-CD2 4.19Å; Y12-Y19 HydrophobicContact CD2-CG 4.22Å; Y12-Y19 HydrophobicContact CE2-CD2 4.27Å; Y12-Y19 AromaticContact CE2-CG 3.9Å; Y12-Y19 HydrophobicContact CE2-CG 3.9Å; Y12-Y19 PolarHBondContact N-O 3.3Å; Y12-Y19 VanDerWaalsContact N-O 3.11Å; Y12-Y19 WeakPolarHBondContact O-CA 3.24Å; Y12-Y19 WeakPolarHBondContact O-CB 3.12Å; Y12-Y19 PolarHBondContact O-N 2.98Å; D14-Y19 HydrophobicContact CB-CE2 4.08Å; D14-Y19 VanDerWaalsContact CG-CE2 3.48Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.31Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.46Å; D14-Y19 PolarHBondContact OD2-OH 3.01Å; Y17-Y19 WeakPolarHBondContact O-CE2 3.48Å; Y19-Y57 AromaticContact CD1-CE1 3.98Å; Y19-Y57 HydrophobicContact CD1-CE1 3.98Å; Y19-Y57 HydrophobicContact CE1-CE1 4.29Å; Y19-F69 WeakPolarHBondContact CA-O 3.2Å; Y19-R70 HydrophobicContact CD1-CB 3.54Å; Y19-R70 HydrophobicContact CE1-CB 3.59Å; Y19-R70 HydrophobicContact CG-CB 4.44Å
20R98.3Very high96.3Very high48 Ų4873.1 Ų73.118%0.18135%0.345CS..EExtended strand (participates in β ladder)trans-159.2147.8171.4153.8172.1-77.8165.9-4.4108.3S9 V22 W54 F69S9-R20 PolarHBondContact O-NE 2.93Å; S9-R20 PolarHBondContact O-NH2 2.88Å; R20-V22 HydrophobicContact CG-CG2 4.23Å; R20-W54 HydrophobicContact CB-CH2 3.73Å; R20-W54 HydrophobicContact CB-CZ2 4.42Å; R20-W54 HydrophobicContact CB-CZ3 3.95Å; R20-F69 PolarHBondContact N-O 3.43Å; R20-F69 VanDerWaalsContact N-O 3.11Å; R20-F69 PolarHBondContact O-N 2.99Å
21H98.3Very high96.1Very high47 Ų4774.5 Ų74.522%0.21834%0.34CS..EExtended strand (participates in β ladder)trans-109.5148.1164.464.3-94.1000111.3S9 I66 L67 L68S9-H21 WeakPolarHBondContact CB-CE1 3.38Å; S9-H21 WeakPolarHBondContact CB-ND1 3.27Å; S9-H21 WeakPolarHBondContact CB-NE2 3.49Å; S9-H21 WeakPolarHBondContact CB-O 3.39Å; S9-H21 PolarHBondContact N-O 3.32Å; S9-H21 PolarHBondContact OG-N 2.89Å; S9-H21 PolarHBondContact OG-ND1 2.89Å; S9-H21 PolarHBondContact OG-O 2.81Å; H21-I66 HydrophobicContact CB-CG2 3.88Å; H21-L67 CarbonylContact C-O 3.55Å; H21-L67 VanDerWaalsContact CA-O 3.25Å; H21-L67 WeakPolarHBondContact CA-O 3.31Å; H21-L68 HydrophobicContact CB-CD2 3.8Å
22V97.9Very high96Very high0 Ų071 Ų710%033%0.326CS..EExtended strand (participates in β ladder)trans-120.8125.9178.5176.20000108.2I6 Y7 Y8 R20 L24 V48 I66 L67 F69I6-V22 HydrophobicContact CG2-CG1 3.2Å; Y7-V22 CarbonylContact O-C 3.58Å; Y7-V22 VanDerWaalsContact O-CA 3.31Å; Y7-V22 WeakPolarHBondContact O-CA 3.42Å; Y7-V22 WeakPolarHBondContact O-CG1 3.37Å; Y8-V22 HydrophobicContact CD1-CG1 4.33Å; Y8-V22 HydrophobicContact CD1-CG2 3.62Å; Y8-V22 HydrophobicContact CE1-CG1 4.21Å; Y8-V22 HydrophobicContact CE1-CG2 3.96Å; Y8-V22 HydrophobicContact CG-CG2 4.49Å; R20-V22 HydrophobicContact CG-CG2 4.23Å; V22-L24 HydrophobicContact CG1-CD2 4.33Å; V22-V48 HydrophobicContact CG1-CG1 4.25Å; V22-V48 HydrophobicContact CG1-CG2 4.12Å; V22-V48 HydrophobicContact CG2-CG1 4.34Å; V22-I66 WeakPolarHBondContact O-CA 3.09Å; V22-L67 HydrophobicContact CB-CB 4.38Å; V22-L67 PolarHBondContact N-O 2.83Å; V22-L67 PolarHBondContact O-N 2.96Å; V22-F69 HydrophobicContact CB-CD2 4.33Å; V22-F69 HydrophobicContact CB-CE2 3.92Å; V22-F69 HydrophobicContact CG2-CD2 3.8Å; V22-F69 HydrophobicContact CG2-CE2 3.68Å
23M97.5Very high95.8Very high63 Ų6367.5 Ų67.531%0.3132%0.316SS..EExtended strand (participates in β ladder)trans-100.1121177.4-61.8-179.4147.700109.9Y7 H65 I66Y7-M23 HydrophobicContact CD1-CB 4.14Å; Y7-M23 HydrophobicContact CD1-CG 4Å; Y7-M23 HydrophobicContact CD1-SD 3.92Å; Y7-M23 HydrophobicContact CE1-SD 4.37Å; Y7-M23 PolarHBondContact N-O 3.15Å; Y7-M23 PolarHBondContact O-N 2.91Å; M23-H65 WeakPolarHBondContact CA-O 3.41Å; M23-I66 HydrophobicContact CE-CD1 3.62Å; M23-I66 HydrophobicContact CE-CG1 4.05Å; M23-I66 HydrophobicContact CG-CG1 4.24Å
24L96.6Very high95.6Very high8 Ų871.5 Ų71.54%0.04233%0.329CS..PPolyproline II helixtrans-87.5140.6178.8-60.2179.8000111I6 V22 I28 A29 V32 L46 V48 H65 L67I6-L24 HydrophobicContact CD1-CD2 4.12Å; I6-L24 HydrophobicContact CG1-CD2 4.13Å; I6-L24 HydrophobicContact CG2-CD2 4.29Å; V22-L24 HydrophobicContact CG1-CD2 4.33Å; L24-I28 HydrophobicContact CB-CB 4.4Å; L24-I28 HydrophobicContact CD1-CG2 4.14Å; L24-I28 HydrophobicContact CD2-CG2 4.23Å; L24-A29 HydrophobicContact CB-CB 4.2Å; L24-V32 HydrophobicContact CD1-CG2 3.38Å; L24-L46 HydrophobicContact CD1-CD1 4.37Å; L24-V48 HydrophobicContact CD2-CG2 3.74Å; L24-H65 PolarHBondContact N-O 3.07Å; L24-L67 HydrophobicContact CD1-CD1 3.95Å; L24-L67 HydrophobicContact CD1-CD2 4.3Å; L24-L67 HydrophobicContact CD1-CG 4.04Å; L24-L67 HydrophobicContact CD2-CD1 4.29Å; L24-L67 HydrophobicContact CG-CD1 4.24Å; L24-L67 HydrophobicContact CG-CG 4.24Å
25P95.7Very high95.4Very high20 Ų2074.6 Ų74.613%0.1335%0.35CS..PPolyproline II helixtrans-53.2149162.4-27.737.1000112.1D27 I28 A29P25-D27 WeakPolarHBondContact CB-OD1 3.43Å; P25-D27 PolarHBondContact O-N 3.08Å; P25-D27 VanDerWaalsContact O-N 3.11Å; P25-I28 HydrophobicContact CG-CD1 4.32Å; P25-I28 PolarHBondContact O-N 3.36Å; P25-A29 PolarHBondContact O-N 2.79Å
26K91.7Very high95.4Very high187 Ų18774 Ų7481%0.81334%0.344SS*.Hα-helixtrans-56.6-30.8-174.1-70.5-175.1178.6-179.80114.1K30K26-K30 WeakPolarHBondContact O-CG 3.24Å
27D92.8Very high95.4Very high96 Ų9671.1 Ų71.151%0.51334%0.335SS..Hα-helixtrans-72.3-37.3177.757.1-46.6000112.5P25P25-D27 WeakPolarHBondContact CB-OD1 3.43Å; P25-D27 PolarHBondContact O-N 3.08Å; P25-D27 VanDerWaalsContact O-N 3.11Å
28I94.3Very high95.4Very high31 Ų3168.2 Ų68.216%0.15932%0.324CS..Hα-helixtrans-77.4-40.1176.4-53.9-176.9000110.7I6 L24 P25 K30 R31 L46I6-I28 HydrophobicContact CD1-CD1 4.24Å; I6-I28 HydrophobicContact CG1-CD1 4.25Å; L24-I28 HydrophobicContact CB-CB 4.4Å; L24-I28 HydrophobicContact CD1-CG2 4.14Å; L24-I28 HydrophobicContact CD2-CG2 4.23Å; P25-I28 HydrophobicContact CG-CD1 4.32Å; P25-I28 PolarHBondContact O-N 3.36Å; I28-K30 PolarHBondContact O-N 3.21Å; I28-R31 WeakPolarHBondContact O-CB 3.45Å; I28-R31 PolarHBondContact O-N 3.16Å; I28-L46 HydrophobicContact CG2-CB 4.03Å; I28-L46 HydrophobicContact CG2-CD2 4.22Å
29A93.8Very high95.4Very high17 Ų1769.3 Ų69.314%0.1434%0.336CS..Hα-helixtrans-56.1-28.6-178.300000113.6L24 P25 R31 V32 H65L24-A29 HydrophobicContact CB-CB 4.2Å; P25-A29 PolarHBondContact O-N 2.79Å; A29-R31 PolarHBondContact O-N 2.81Å; A29-V32 WeakPolarHBondContact O-CB 3.31Å; A29-V32 WeakPolarHBondContact O-CG2 3.28Å; A29-V32 PolarHBondContact O-N 2.7Å; A29-H65 HydrophobicContact CB-CB 3.59Å
30K93.5Very high95.4Very high181 Ų18171.4 Ų71.479%0.78735%0.346SS*.THydrogen-bonded Turntrans-63.1-21.2175.7-69.2173-175.7-177.20113.8K26 I28K26-K30 WeakPolarHBondContact O-CG 3.24Å; I28-K30 PolarHBondContact O-N 3.21Å
31R93.9Very high95.4Very high161 Ų16173.5 Ų73.561%0.60837%0.365SS*.THydrogen-bonded Turntrans-91.4-5-179.5-61.5174.159.5-167.7-5.6112.9I28 A29 L46I28-R31 WeakPolarHBondContact O-CB 3.45Å; I28-R31 PolarHBondContact O-N 3.16Å; A29-R31 PolarHBondContact O-N 2.81Å; R31-L46 HydrophobicContact CB-CD2 3.64Å
32V94.6Very high95.3Very high18 Ų1874.7 Ų74.711%0.10937%0.37CS..SBendtrans-71.1126.3179.21780000109.5L24 A29 M38 L46 L67L24-V32 HydrophobicContact CD1-CG2 3.38Å; A29-V32 WeakPolarHBondContact O-CB 3.31Å; A29-V32 WeakPolarHBondContact O-CG2 3.28Å; A29-V32 PolarHBondContact O-N 2.7Å; V32-M38 HydrophobicContact CG1-CE 4.09Å; V32-L46 HydrophobicContact CG2-CD1 4.02Å; V32-L67 HydrophobicContact CG1-CD2 3.98Å; V32-L67 HydrophobicContact CG2-CD2 4.13Å
33P94.3Very high95.3Very high28 Ų2874.8 Ų74.818%0.18237%0.371CS..  trans-67.4138.9176.327.4-32.6000110.8H36 M38P33-H36 WeakPolarHBondContact CB-CE1 3.41Å; P33-M38 HydrophobicContact CG-CG 3.5Å; P33-M38 VanDerWaalsContact CG-CG 3.5Å; P33-M38 HydrophobicContact CG-SD 4.15Å
34K91.2Very high95.3Very high171 Ų17176 Ų7674%0.74337%0.372SS*.SBendtrans-95.1-10.1176.1-59.8-175.8-178.5-177.80113.4
35T92.5Very high95.3Very high127 Ų12780.9 Ų80.978%0.77940%0.398SS*.SBendtrans-97.1-20.1-169.853.10000113.6
36H95.7Very high95.3Very high80 Ų8080.6 Ų80.637%0.3740%0.395SS..SBendtrans-156.1162.4-174.962.4-79.5000111.8P33 E42 I59P33-H36 WeakPolarHBondContact CB-CE1 3.41Å; H36-E42 IonicContact NE2-OE1 3.49Å; H36-E42 PolarHBondContact NE2-OE1 2.57Å; H36-I59 WeakPolarHBondContact O-CD1 3.31Å
37L97.8Very high95.5Very high79 Ų7973.5 Ų73.541%0.41438%0.375SS..PPolyproline II helixtrans-77131.7171.2-66.5169.5000109.9I59L37-I59 HydrophobicContact CD2-CD1 4.4Å; L37-I59 HydrophobicContact CD2-CG1 3.65Å
38M97.9Very high95.7Very high9 Ų969 Ų694%0.04435%0.351CS..PPolyproline II helixtrans-67.3133.8177.7-67.9-178.6-73.200113.1V32 P33 E42 W43 L46 H56 L67V32-M38 HydrophobicContact CG1-CE 4.09Å; P33-M38 HydrophobicContact CG-CG 3.5Å; P33-M38 VanDerWaalsContact CG-CG 3.5Å; P33-M38 HydrophobicContact CG-SD 4.15Å; M38-E42 WeakPolarHBondContact CA-OE2 3.26Å; M38-E42 HydrophobicContact CB-CB 3.88Å; M38-E42 HydrophobicContact CG-CB 4.09Å; M38-W43 HydrophobicContact CB-CB 4.34Å; M38-W43 HydrophobicContact CE-CB 4.27Å; M38-W43 HydrophobicContact SD-CB 4.29Å; M38-L46 HydrophobicContact CE-CD1 4.03Å; M38-L46 HydrophobicContact SD-CD1 3.49Å; M38-L46 WeakPolarHBondContact SD-CD1 3.47Å; M38-L46 HydrophobicContact SD-CG 4.5Å; M38-H56 PolarHBondContact N-ND1 3.49Å; M38-H56 VanDerWaalsContact N-ND1 3.16Å; M38-L67 HydrophobicContact CE-CD1 3.58Å; M38-L67 HydrophobicContact CE-CD2 3.4Å; M38-L67 HydrophobicContact CE-CG 4.11Å
39S97.8Very high95.8Very high56 Ų5674.7 Ų74.739%0.39238%0.377SS..PPolyproline II helixtrans-66166.3164.164.40000112.4T41 E42 W43S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.43Å; S39-E42 WeakPolarHBondContact CB-OE2 3.24Å; S39-E42 PolarHBondContact N-OE2 2.71Å; S39-E42 PolarHBondContact O-N 3.2Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.45Å; S39-E42 PolarHBondContact OG-N 2.77Å; S39-E42 PolarHBondContact OG-OE2 2.75Å; S39-W43 PolarHBondContact O-N 3.11Å
40E97.5Very high95.9Very high72 Ų7274.9 Ų74.934%0.33638%0.375SS..Hα-helixtrans-53-45.2175.9179.3158.3-177.200113E42 W43 R44E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 4.05Å; E40-W43 HydrophobicContact CG-CH2 4.05Å; E40-W43 HydrophobicContact CG-CZ2 3.56Å; E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 WeakPolarHBondContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 2.95Å; E40-R44 VanDerWaalsContact O-N 3.09Å; E40-R44 IonicContact OE1-CZ 2.66Å; E40-R44 IonicContact OE1-NE 2.84Å; E40-R44 PolarHBondContact OE1-NE 3.11Å; E40-R44 IonicContact OE1-NH2 3.63Å; E40-R44 PolarHBondContact OE1-NH2 2.9Å
41T97.5Very high96Very high93 Ų9369 Ų6957%0.57136%0.357SS*.Hα-helixtrans-61.3-42.7177.7-51.10000112S39 R44 N45S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.43Å; T41-R44 PolarHBondContact O-N 3.28Å; T41-N45 WeakPolarHBondContact O-CB 3.38Å; T41-N45 PolarHBondContact O-N 3.27Å; T41-N45 PolarHBondContact O-ND2 2.96Å
42E97.8Very high96Very high72 Ų7269.3 Ų69.334%0.33637%0.365SS..Hα-helixtrans-67.3-47.8-176.2-73.7168.7122.500112.7H36 M38 S39 E40 R44 N45 L46H36-E42 IonicContact NE2-OE1 3.49Å; H36-E42 PolarHBondContact NE2-OE1 2.57Å; M38-E42 WeakPolarHBondContact CA-OE2 3.26Å; M38-E42 HydrophobicContact CB-CB 3.88Å; M38-E42 HydrophobicContact CG-CB 4.09Å; S39-E42 WeakPolarHBondContact CB-OE2 3.24Å; S39-E42 PolarHBondContact N-OE2 2.71Å; S39-E42 PolarHBondContact O-N 3.2Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.45Å; S39-E42 PolarHBondContact OG-N 2.77Å; S39-E42 PolarHBondContact OG-OE2 2.75Å; E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.21Å; E42-N45 WeakPolarHBondContact O-CB 3.31Å; E42-N45 PolarHBondContact O-N 3.3Å; E42-L46 PolarHBondContact O-N 3.21Å
43W97.6Very high96.1Very high1 Ų170.1 Ų70.10%0.00438%0.377CS..Hα-helixtrans-71.6-30178.760.5-109.9000112.2M38 S39 E40 N45 L46 V48 Q50 F69M38-W43 HydrophobicContact CB-CB 4.34Å; M38-W43 HydrophobicContact CE-CB 4.27Å; M38-W43 HydrophobicContact SD-CB 4.29Å; S39-W43 PolarHBondContact O-N 3.11Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 4.05Å; E40-W43 HydrophobicContact CG-CH2 4.05Å; E40-W43 HydrophobicContact CG-CZ2 3.56Å; W43-N45 VanDerWaalsContact C-N 3.33Å; W43-L46 WeakPolarHBondContact O-CB 3.37Å; W43-L46 PolarHBondContact O-N 2.83Å; W43-V48 HydrophobicContact CE3-CB 3.86Å; W43-V48 HydrophobicContact CE3-CG1 3.81Å; W43-V48 HydrophobicContact CZ3-CG1 4.24Å; W43-V48 WeakPolarHBondContact CZ3-O 3.3Å; W43-V48 WeakPolarHBondContact O-CB 3.48Å; W43-V48 PolarHBondContact O-N 3.24Å; W43-Q50 HydrophobicContact CH2-CB 4.18Å; W43-Q50 HydrophobicContact CZ3-CB 4.32Å; W43-Q50 HydrophobicContact CZ3-CG 4.49Å; W43-F69 HydrophobicContact CB-CE1 4.41Å; W43-F69 HydrophobicContact CB-CZ 4.17Å; W43-F69 AromaticContact CD1-CE1 3.66Å; W43-F69 AromaticContact CD2-CE1 3.96Å; W43-F69 HydrophobicContact CD2-CE1 3.96Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.94Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 3.99Å; W43-F69 HydrophobicContact CG-CZ 3.99Å; W43-F69 AromaticContact NE1-CE1 3.67Å
44R96.9Very high96.3Very high89 Ų8969 Ų6934%0.33637%0.369SS..Hα-helixtrans-63.8-38.7170.5-74.7-176.2-177.6-69.6-1.7111.8E40 T41 E42 L46 G47 Q50E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 WeakPolarHBondContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 2.95Å; E40-R44 VanDerWaalsContact O-N 3.09Å; E40-R44 IonicContact OE1-CZ 2.66Å; E40-R44 IonicContact OE1-NE 2.84Å; E40-R44 PolarHBondContact OE1-NE 3.11Å; E40-R44 IonicContact OE1-NH2 3.63Å; E40-R44 PolarHBondContact OE1-NH2 2.9Å; T41-R44 PolarHBondContact O-N 3.28Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.21Å; R44-L46 PolarHBondContact O-N 3.17Å; R44-G47 WeakPolarHBondContact O-CA 3.46Å; R44-G47 PolarHBondContact O-N 2.76Å; R44-Q50 PolarHBondContact NH1-O 2.66Å; R44-Q50 PolarHBondContact NH2-O 2.66Å
45N96.9Very high96.6Very high110 Ų11064.7 Ų64.759%0.58836%0.357SS*.Hα-helixtrans-67.2-17.3175.9-72.8-17.6000113.8T41 E42 W43 G47T41-N45 WeakPolarHBondContact O-CB 3.38Å; T41-N45 PolarHBondContact O-N 3.27Å; T41-N45 PolarHBondContact O-ND2 2.96Å; E42-N45 WeakPolarHBondContact O-CB 3.31Å; E42-N45 PolarHBondContact O-N 3.3Å; W43-N45 VanDerWaalsContact C-N 3.33Å; N45-G47 VanDerWaalsContact C-N 3.27Å
46L95.4Very high96.9Very high15 Ų1558.9 Ų58.98%0.07932%0.321CS..THydrogen-bonded Turntrans-81.6-5.2169-65-179.6000113.1L24 I28 R31 V32 M38 E42 W43 R44L24-L46 HydrophobicContact CD1-CD1 4.37Å; I28-L46 HydrophobicContact CG2-CB 4.03Å; I28-L46 HydrophobicContact CG2-CD2 4.22Å; R31-L46 HydrophobicContact CB-CD2 3.64Å; V32-L46 HydrophobicContact CG2-CD1 4.02Å; M38-L46 HydrophobicContact CE-CD1 4.03Å; M38-L46 HydrophobicContact SD-CD1 3.49Å; M38-L46 WeakPolarHBondContact SD-CD1 3.47Å; M38-L46 HydrophobicContact SD-CG 4.5Å; E42-L46 PolarHBondContact O-N 3.21Å; W43-L46 WeakPolarHBondContact O-CB 3.37Å; W43-L46 PolarHBondContact O-N 2.83Å; R44-L46 PolarHBondContact O-N 3.17Å
47G95.7Very high97Very high37 Ų3758 Ų5838%0.38132%0.315SS..THydrogen-bonded Turntrans91.74.9-177.400000114.3I6 R44 N45 Q49I6-G47 WeakPolarHBondContact CD1-O 3.49Å; R44-G47 WeakPolarHBondContact O-CA 3.46Å; R44-G47 PolarHBondContact O-N 2.76Å; N45-G47 VanDerWaalsContact C-N 3.27Å; G47-Q49 PolarHBondContact O-N 2.72Å
48V96.9Very high97Very high1 Ų158.8 Ų58.81%0.00632%0.318CS..  trans-70.6126.9174177.80000109I6 Y8 V22 L24 W43 Q50 L67 F69I6-V48 HydrophobicContact CD1-CG2 4.22Å; Y8-V48 HydrophobicContact CE1-CG1 4.17Å; V22-V48 HydrophobicContact CG1-CG1 4.25Å; V22-V48 HydrophobicContact CG1-CG2 4.12Å; V22-V48 HydrophobicContact CG2-CG1 4.34Å; L24-V48 HydrophobicContact CD2-CG2 3.74Å; W43-V48 HydrophobicContact CE3-CB 3.86Å; W43-V48 HydrophobicContact CE3-CG1 3.81Å; W43-V48 HydrophobicContact CZ3-CG1 4.24Å; W43-V48 WeakPolarHBondContact CZ3-O 3.3Å; W43-V48 WeakPolarHBondContact O-CB 3.48Å; W43-V48 PolarHBondContact O-N 3.24Å; V48-Q50 HydrophobicContact CG1-CG 4.06Å; V48-L67 HydrophobicContact CG2-CD1 4.03Å; V48-F69 HydrophobicContact CG1-CE2 4.24Å; V48-F69 HydrophobicContact CG1-CZ 4.16Å
49Q96.5Very high96.8Very high152 Ų15260.9 Ų60.971%0.7133%0.328SS*.  trans-118.6117.4-178.4-65.8-177.8-1.400109.9Y8 G47Y8-Q49 VanDerWaalsContact CE1-O 3.28Å; Y8-Q49 WeakPolarHBondContact CE1-O 3.41Å; Y8-Q49 PolarHBondContact OH-N 2.99Å; G47-Q49 PolarHBondContact O-N 2.72Å
50Q95.6Very high96.5Very high20 Ų2061.5 Ų61.59%0.09333%0.325CS..  trans-140.7162.3175.9-56.1-170.79900109.6Y8 W43 R44 V48 W54 F69Y8-Q50 HydrophobicContact CE1-CG 4.23Å; W43-Q50 HydrophobicContact CH2-CB 4.18Å; W43-Q50 HydrophobicContact CZ3-CB 4.32Å; W43-Q50 HydrophobicContact CZ3-CG 4.49Å; R44-Q50 PolarHBondContact NH1-O 2.66Å; R44-Q50 PolarHBondContact NH2-O 2.66Å; V48-Q50 HydrophobicContact CG1-CG 4.06Å; Q50-W54 HydrophobicContact CB-CG 4.16Å; Q50-F69 VanDerWaalsContact NE2-CG 3.32Å
51S95.9Very high96.1Very high59 Ų5965.9 Ų65.941%0.41335%0.345SS..  trans-59.5171.1168.659.80000111.4W54 R71S51-W54 VanDerWaalsContact O-CD1 3.32Å; S51-W54 PolarHBondContact OG-NE1 3.49Å; S51-R71 PolarHBondContact OG-NH1 3.32Å
52Q94.8Very high95.9Very high167 Ų16766.5 Ų66.578%0.7835%0.351SS*.THydrogen-bonded Turntrans-64.5151.4176.5-167.41751500112.3
53G96.1Very high95.8Very high35 Ų3566.9 Ų66.936%0.36135%0.353SS..THydrogen-bonded Turntrans94.9-2.6168.200000116R71G53-R71 WeakPolarHBondContact O-CB 3.21Å
54W98.3Very high95.5Very high5 Ų569.3 Ų69.32%0.01937%0.368CS..  trans-75130.2174.7-72.499.8000111.8K11 E18 R20 Q50 S51 F69 R71K11-W54 HydrophobicContact CD-CH2 4.47Å; K11-W54 HydrophobicContact CD-CZ2 4.15Å; E18-W54 HydrophobicContact CB-CH2 4.46Å; E18-W54 HydrophobicContact CG-CH2 4.12Å; E18-W54 VanDerWaalsContact O-CZ3 3.3Å; E18-W54 WeakPolarHBondContact O-CZ3 3.42Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.43Å; R20-W54 HydrophobicContact CB-CH2 3.73Å; R20-W54 HydrophobicContact CB-CZ2 4.42Å; R20-W54 HydrophobicContact CB-CZ3 3.95Å; Q50-W54 HydrophobicContact CB-CG 4.16Å; S51-W54 VanDerWaalsContact O-CD1 3.32Å; S51-W54 PolarHBondContact OG-NE1 3.49Å; W54-F69 HydrophobicContact CB-CB 4.48Å; W54-F69 HydrophobicContact CB-CD1 4.3Å; W54-F69 HydrophobicContact CD2-CB 4.29Å; W54-F69 HydrophobicContact CE3-CB 3.52Å; W54-F69 HydrophobicContact CZ3-CB 4.09Å; W54-R71 HydrophobicContact CD2-CB 4.24Å; W54-R71 HydrophobicContact CD2-CG 4.06Å; W54-R71 HydrophobicContact CE3-CB 4.17Å; W54-R71 HydrophobicContact CE3-CG 4.07Å; W54-R71 HydrophobicContact CH2-CG 4.25Å; W54-R71 HydrophobicContact CZ2-CG 4.18Å; W54-R71 HydrophobicContact CZ3-CG 4.19Å
55V98.4Very high95.4Very high79 Ų7968.1 Ų68.148%0.47937%0.367SS..EExtended strand (participates in β ladder)trans-117.5127.1179.8-178.60000109.3Y57 F69 R70V55-Y57 PolarHBondContact O-N 3.22Å; V55-F69 VanDerWaalsContact O-CA 3.31Å; V55-F69 WeakPolarHBondContact O-CA 3.3Å; V55-R70 PolarHBondContact N-O 3.43Å; V55-R70 PolarHBondContact O-N 3.11Å
56H98.4Very high95.5Very high6 Ų663.6 Ų63.63%0.02834%0.342CS..EExtended strand (participates in β ladder)trans-71.4107.4168.8178.8-155.7000108.1M38 M58 L68 F69M38-H56 PolarHBondContact N-ND1 3.49Å; M38-H56 VanDerWaalsContact N-ND1 3.16Å; H56-M58 PolarHBondContact NE2-O 3.48Å; H56-L68 WeakPolarHBondContact CA-O 3.22Å; H56-L68 PolarHBondContact CD2-O 3.24Å; H56-F69 HydrophobicContact CB-CD1 4.11Å; H56-F69 HydrophobicContact CB-CE1 3.84Å
57Y97.9Very high95.6Very high60 Ų6063 Ų6324%0.23534%0.339CS..EExtended strand (participates in β ladder)trans-108.1-14-164.679.2-81.8000114.5Y19 V55 L68 R70Y19-Y57 AromaticContact CD1-CE1 3.98Å; Y19-Y57 HydrophobicContact CD1-CE1 3.98Å; Y19-Y57 HydrophobicContact CE1-CE1 4.29Å; V55-Y57 PolarHBondContact O-N 3.22Å; Y57-L68 HydrophobicContact CD1-CB 4.2Å; Y57-L68 VanDerWaalsContact CD1-O 3.27Å; Y57-L68 WeakPolarHBondContact CD1-O 3.35Å; Y57-L68 HydrophobicContact CE1-CB 3.67Å; Y57-L68 PolarHBondContact N-O 2.83Å; Y57-L68 VanDerWaalsContact N-O 3.08Å; Y57-R70 HydrophobicContact CD1-CB 3.83Å; Y57-R70 HydrophobicContact CD1-CG 3.85Å; Y57-R70 HydrophobicContact CE1-CB 4.19Å; Y57-R70 HydrophobicContact CG-CB 4.32Å; Y57-R70 HydrophobicContact CG-CG 3.88Å
58M96.3Very high95.7Very high97 Ų9762.3 Ų62.348%0.47833%0.326SS..EExtended strand (participates in β ladder)trans-154.7140.1-177.8-176.6-179-67.900110.8H56 L68H56-M58 PolarHBondContact NE2-O 3.48Å; M58-L68 HydrophobicContact CB-CB 4.49Å; M58-L68 HydrophobicContact CB-CD1 3.98Å; M58-L68 HydrophobicContact CG-CD1 4.09Å; M58-L68 HydrophobicContact SD-CD1 4.08Å
59I94.9Very high95.8Very high52 Ų5262.3 Ų62.327%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-96.1121.2171.7-56.9178.2000108.5H36 L37 Q61H36-I59 WeakPolarHBondContact O-CD1 3.31Å; L37-I59 HydrophobicContact CD2-CD1 4.4Å; L37-I59 HydrophobicContact CD2-CG1 3.65Å; I59-Q61 HydrophobicContact CG2-CG 4.46Å; I59-Q61 PolarHBondContact O-N 2.82Å
60H92.1Very high95.9Very high70 Ų7059.1 Ų59.132%0.32431%0.308SS..  trans-89.594.1170.5-167.748.9000110.2E63 L68H60-E63 IonicContact CD2-OE2 3.49Å; H60-E63 IonicContact NE2-OE2 2.66Å; H60-E63 PolarHBondContact NE2-OE2 3.09Å; H60-E63 CarbonylContact O-C 3.56Å; H60-E63 PolarHBondContact O-N 2.97Å; H60-E63 VanDerWaalsContact O-N 3.14Å; H60-L68 HydrophobicContact CB-CD1 4.27Å
61Q88.9Confident96Very high164 Ų16461.2 Ų61.277%0.76632%0.315SS*.THydrogen-bonded Turntrans-57.1-40-174.3-68.2-172.82.700115.1I59 E63I59-Q61 HydrophobicContact CG2-CG 4.46Å; I59-Q61 PolarHBondContact O-N 2.82Å; Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.86Å
62P93.3Very high96Very high105 Ų10562.5 Ų62.568%0.68232%0.322SS*.THydrogen-bonded Turntrans-63.1-32.1176.9-2536.4000113.6P64P62-P64 WeakPolarHBondContact O-CD 3.36Å
63E94.4Very high96Very high81 Ų8155.9 Ų55.938%0.37929%0.292SS..  trans-127.375-178.5-46.8-178.18200111.2H60 Q61 H65 I66H60-E63 IonicContact CD2-OE2 3.49Å; H60-E63 IonicContact NE2-OE2 2.66Å; H60-E63 PolarHBondContact NE2-OE2 3.09Å; H60-E63 CarbonylContact O-C 3.56Å; H60-E63 PolarHBondContact O-N 2.97Å; H60-E63 VanDerWaalsContact O-N 3.14Å; Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.86Å; E63-H65 PolarHBondContact O-N 3.48Å; E63-H65 IonicContact OE1-CE1 3.41Å; E63-I66 HydrophobicContact CB-CB 4.46Å; E63-I66 HydrophobicContact CB-CD1 3.73Å; E63-I66 HydrophobicContact CB-CG1 3.87Å; E63-I66 HydrophobicContact CG-CD1 4.28Å; E63-I66 WeakPolarHBondContact O-CB 3.46Å; E63-I66 PolarHBondContact O-N 3.49Å; E63-I66 WeakPolarHBondContact OE1-CD1 3.32Å
64P92.1Very high95.7Very high51 Ų5160 Ų6033%0.33131%0.312SS..THydrogen-bonded Turntrans-67.7-9-173.628.8-37.2000114.1P62 I66P62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-I66 VanDerWaalsContact C-N 3.29Å
65H95.4Very high95.3Very high65 Ų6566.5 Ų66.530%0.30135%0.347SS..THydrogen-bonded Turntrans-82.7-8.4174.268.2-75.6000112.3M23 L24 A29 E63M23-H65 WeakPolarHBondContact CA-O 3.41Å; L24-H65 PolarHBondContact N-O 3.07Å; A29-H65 HydrophobicContact CB-CB 3.59Å; E63-H65 PolarHBondContact O-N 3.48Å; E63-H65 IonicContact OE1-CE1 3.41Å
66I97.4Very high94.6Very high14 Ų1466.5 Ų66.57%0.07235%0.349CS..EExtended strand (participates in β ladder)trans-99.3117.6175.8-53.3-174.6000108.8H21 V22 M23 E63 P64 L68H21-I66 HydrophobicContact CB-CG2 3.88Å; V22-I66 WeakPolarHBondContact O-CA 3.09Å; M23-I66 HydrophobicContact CE-CD1 3.62Å; M23-I66 HydrophobicContact CE-CG1 4.05Å; M23-I66 HydrophobicContact CG-CG1 4.24Å; E63-I66 HydrophobicContact CB-CB 4.46Å; E63-I66 HydrophobicContact CB-CD1 3.73Å; E63-I66 HydrophobicContact CB-CG1 3.87Å; E63-I66 HydrophobicContact CG-CD1 4.28Å; E63-I66 WeakPolarHBondContact O-CB 3.46Å; E63-I66 PolarHBondContact O-N 3.49Å; E63-I66 WeakPolarHBondContact OE1-CD1 3.32Å; P64-I66 VanDerWaalsContact C-N 3.29Å; I66-L68 HydrophobicContact CG2-CD2 3.92Å
67L98Very high93.8Very high2 Ų271.6 Ų71.61%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-98.2129.1172.6-56.3-173.8000109.8H21 V22 L24 V32 M38 V48 F69H21-L67 CarbonylContact C-O 3.55Å; H21-L67 VanDerWaalsContact CA-O 3.25Å; H21-L67 WeakPolarHBondContact CA-O 3.31Å; V22-L67 HydrophobicContact CB-CB 4.38Å; V22-L67 PolarHBondContact N-O 2.83Å; V22-L67 PolarHBondContact O-N 2.96Å; L24-L67 HydrophobicContact CD1-CD1 3.95Å; L24-L67 HydrophobicContact CD1-CD2 4.3Å; L24-L67 HydrophobicContact CD1-CG 4.04Å; L24-L67 HydrophobicContact CD2-CD1 4.29Å; L24-L67 HydrophobicContact CG-CD1 4.24Å; L24-L67 HydrophobicContact CG-CG 4.24Å; V32-L67 HydrophobicContact CG1-CD2 3.98Å; V32-L67 HydrophobicContact CG2-CD2 4.13Å; M38-L67 HydrophobicContact CE-CD1 3.58Å; M38-L67 HydrophobicContact CE-CD2 3.4Å; M38-L67 HydrophobicContact CE-CG 4.11Å; V48-L67 HydrophobicContact CG2-CD1 4.03Å; L67-F69 HydrophobicContact CB-CD2 4.22Å; L67-F69 HydrophobicContact CB-CE2 3.47Å; L67-F69 VanDerWaalsContact CB-CE2 3.47Å; L67-F69 HydrophobicContact CB-CZ 3.95Å; L67-F69 HydrophobicContact CD1-CE2 4.08Å; L67-F69 HydrophobicContact CD1-CZ 3.94Å; L67-F69 HydrophobicContact CG-CE2 4.46Å
68L98.3Very high92.7Very high23 Ų2378 Ų7812%0.1243%0.425CS..EExtended strand (participates in β ladder)trans-102.8115.9-177.6-58.2177.9000110.7H21 H56 Y57 M58 H60 I66H21-L68 HydrophobicContact CB-CD2 3.8Å; H56-L68 WeakPolarHBondContact CA-O 3.22Å; H56-L68 PolarHBondContact CD2-O 3.24Å; Y57-L68 HydrophobicContact CD1-CB 4.2Å; Y57-L68 VanDerWaalsContact CD1-O 3.27Å; Y57-L68 WeakPolarHBondContact CD1-O 3.35Å; Y57-L68 HydrophobicContact CE1-CB 3.67Å; Y57-L68 PolarHBondContact N-O 2.83Å; Y57-L68 VanDerWaalsContact N-O 3.08Å; M58-L68 HydrophobicContact CB-CB 4.49Å; M58-L68 HydrophobicContact CB-CD1 3.98Å; M58-L68 HydrophobicContact CG-CD1 4.09Å; M58-L68 HydrophobicContact SD-CD1 4.08Å; H60-L68 HydrophobicContact CB-CD1 4.27Å; I66-L68 HydrophobicContact CG2-CD2 3.92Å
69F98.7Very high92.5Very high1 Ų177.1 Ų77.10%0.00442%0.422CS..EExtended strand (participates in β ladder)trans-112.5146.3-178.9-64.1-83.3000111.6Y19 R20 V22 W43 V48 Q50 W54 V55 H56 L67Y19-F69 WeakPolarHBondContact CA-O 3.2Å; R20-F69 PolarHBondContact N-O 3.43Å; R20-F69 VanDerWaalsContact N-O 3.11Å; R20-F69 PolarHBondContact O-N 2.99Å; V22-F69 HydrophobicContact CB-CD2 4.33Å; V22-F69 HydrophobicContact CB-CE2 3.92Å; V22-F69 HydrophobicContact CG2-CD2 3.8Å; V22-F69 HydrophobicContact CG2-CE2 3.68Å; W43-F69 HydrophobicContact CB-CE1 4.41Å; W43-F69 HydrophobicContact CB-CZ 4.17Å; W43-F69 AromaticContact CD1-CE1 3.66Å; W43-F69 AromaticContact CD2-CE1 3.96Å; W43-F69 HydrophobicContact CD2-CE1 3.96Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.94Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 3.99Å; W43-F69 HydrophobicContact CG-CZ 3.99Å; W43-F69 AromaticContact NE1-CE1 3.67Å; V48-F69 HydrophobicContact CG1-CE2 4.24Å; V48-F69 HydrophobicContact CG1-CZ 4.16Å; Q50-F69 VanDerWaalsContact NE2-CG 3.32Å; W54-F69 HydrophobicContact CB-CB 4.48Å; W54-F69 HydrophobicContact CB-CD1 4.3Å; W54-F69 HydrophobicContact CD2-CB 4.29Å; W54-F69 HydrophobicContact CE3-CB 3.52Å; W54-F69 HydrophobicContact CZ3-CB 4.09Å; V55-F69 VanDerWaalsContact O-CA 3.31Å; V55-F69 WeakPolarHBondContact O-CA 3.3Å; H56-F69 HydrophobicContact CB-CD1 4.11Å; H56-F69 HydrophobicContact CB-CE1 3.84Å; L67-F69 HydrophobicContact CB-CD2 4.22Å; L67-F69 HydrophobicContact CB-CE2 3.47Å; L67-F69 VanDerWaalsContact CB-CE2 3.47Å; L67-F69 HydrophobicContact CB-CZ 3.95Å; L67-F69 HydrophobicContact CD1-CE2 4.08Å; L67-F69 HydrophobicContact CD1-CZ 3.94Å; L67-F69 HydrophobicContact CG-CE2 4.46Å
70R98.4Very high92.4Very high85 Ų8578.4 Ų78.432%0.32143%0.43SS..EExtended strand (participates in β ladder)trans-135.7154167.374.5-176.5176.3177.6-2.6110.8Y17 E18 Y19 V55 Y57Y17-R70 HydrophobicContact CD1-CB 4.44Å; Y17-R70 HydrophobicContact CD1-CG 4.18Å; E18-R70 CarbonylContact O-C 3.19Å; E18-R70 VanDerWaalsContact O-CA 3.24Å; E18-R70 WeakPolarHBondContact O-CA 3.41Å; Y19-R70 HydrophobicContact CD1-CB 3.54Å; Y19-R70 HydrophobicContact CE1-CB 3.59Å; Y19-R70 HydrophobicContact CG-CB 4.44Å; V55-R70 PolarHBondContact N-O 3.43Å; V55-R70 PolarHBondContact O-N 3.11Å; Y57-R70 HydrophobicContact CD1-CB 3.83Å; Y57-R70 HydrophobicContact CD1-CG 3.85Å; Y57-R70 HydrophobicContact CE1-CB 4.19Å; Y57-R70 HydrophobicContact CG-CB 4.32Å; Y57-R70 HydrophobicContact CG-CG 3.88Å
71R97.8Very high92.4Very high64 Ų6478.9 Ų78.924%0.24244%0.436CS..EExtended strand (participates in β ladder)trans-140.9148.1165.965.4177.3179160.48.2110.4Y17 E18 S51 G53 W54Y17-R71 CarbonylContact C-O 3.46Å; Y17-R71 VanDerWaalsContact CA-O 3.3Å; Y17-R71 WeakPolarHBondContact CA-O 3.45Å; E18-R71 HydrophobicContact CB-CG 4.16Å; E18-R71 PolarHBondContact N-O 2.97Å; E18-R71 PolarHBondContact O-N 3.4Å; E18-R71 IonicContact OE1-NH2 3.24Å; E18-R71 IonicContact OE2-CZ 3.86Å; E18-R71 IonicContact OE2-NE 3.05Å; E18-R71 PolarHBondContact OE2-NE 3.28Å; E18-R71 IonicContact OE2-NH2 2.7Å; E18-R71 PolarHBondContact OE2-NH2 3.21Å; S51-R71 PolarHBondContact OG-NH1 3.32Å; G53-R71 WeakPolarHBondContact O-CB 3.21Å; W54-R71 HydrophobicContact CD2-CB 4.24Å; W54-R71 HydrophobicContact CD2-CG 4.06Å; W54-R71 HydrophobicContact CE3-CB 4.17Å; W54-R71 HydrophobicContact CE3-CG 4.07Å; W54-R71 HydrophobicContact CH2-CG 4.25Å; W54-R71 HydrophobicContact CZ2-CG 4.18Å; W54-R71 HydrophobicContact CZ3-CG 4.19Å
72P97.1Very high92.6Very high86 Ų8673.9 Ų73.956%0.55842%0.417SS*.EExtended strand (participates in β ladder)trans-58.3141.5176.7-22.533.2000111.7Y17Y17-P72 HydrophobicContact CD1-CG 4.47Å; Y17-P72 HydrophobicContact CE1-CG 4.21Å
73L94.8Very high92.6Very high29 Ų2971.9 Ų71.915%0.15240%0.4CS..  trans-68.1143.1167.9-73.2174.3000109.8D13 D14 K16 E18 N75D13-L73 HydrophobicContact CB-CD1 4.41Å; D13-L73 HydrophobicContact CB-CD2 4.33Å; D14-L73 VanDerWaalsContact O-CD1 3.26Å; D14-L73 WeakPolarHBondContact O-CD1 3.46Å; K16-L73 PolarHBondContact O-N 2.98Å; E18-L73 HydrophobicContact CB-CD2 3.99Å; L73-N75 PolarHBondContact O-N 3.25Å
74P89.4Confident92.5Very high122 Ų12271.3 Ų71.379%0.79240%0.402SS*.SBendtrans-57.5-38.6174.1-24.233.6000112.4
75N89.5Confident92.5Very high140 Ų14072.8 Ų72.875%0.74941%0.407SS*.SBendtrans-13094177.4-65.9-23000108.5L73L73-N75 PolarHBondContact O-N 3.25Å
76P83.3Confident92.3Very high79 Ų7973.4 Ų73.451%0.51342%0.415SS..  trans-56.7139.2174-24.334.9000110.9D15 S78D15-P76 CarbonylContact O-C 3.44Å; D15-P76 WeakPolarHBondContact O-CA 3.32Å; D15-P76 WeakPolarHBondContact O-CB 3.38Å; P76-S78 PolarHBondContact O-N 2.84Å
77K82.1Confident91.8Very high114 Ų11478.3 Ų78.350%0.49644%0.443SS..  trans-74.4123.6173.7-61.4168.1-175.71610106.8D13 D15D13-K77 IonicContact OD2-NZ 3.52Å; D13-K77 PolarHBondContact OD2-NZ 2.72Å; D15-K77 HydrophobicContact CB-CB 4.08Å; D15-K77 PolarHBondContact O-N 3.32Å
78S74.6Confident91.3Very high195 Ų19585.3 Ų85.3100%1.36448%0.483SS*.  trans-75.60176.3-69.80000111.9P76P76-S78 PolarHBondContact O-N 2.84Å

Retrieved 78 of 78 residues in 319.4 ms (Link to these results)

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