A0A060YFK8_ONCMY Loading...

Protein phosphatase 1G

AlphaFold DB , UniProt , Accession A0A060YFK8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 530 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
1M46.5Very low86.3Confident242 Ų24294.5 Ų94.5100%1.19255%0.554SS**  0-164.30-68.4-178.9-175.100107.2
2G60.6Low87.2Confident55 Ų5590.9 Ų90.957%0.56753%0.526SS*.  trans-71.4162.9160.400000110.5Y4G2-Y4 PolarHBondContact O-N 2.9Å
3A79.1Confident88Confident66 Ų6689.8 Ų89.855%0.54553%0.526SS..SBendtrans-69.4-1517400000113.4
4Y91.9Very high88.7Confident73 Ų7386.5 Ų86.529%0.28651%0.511SS..EExtended strand (participates in β ladder)trans-121153.6-177.9-54.5-54.3000112.6G2 W32 T478 C485G2-Y4 PolarHBondContact O-N 2.9Å; Y4-W32 CarbonylContact C-O 3.6Å; Y4-W32 WeakPolarHBondContact CA-O 3.4Å; Y4-W32 HydrophobicContact CD1-CB 4.06Å; Y4-W32 HydrophobicContact CG-CB 4.39Å; Y4-T478 HydrophobicContact CD2-CG2 3.82Å; Y4-T478 HydrophobicContact CG-CG2 3.93Å; Y4-C485 HydrophobicContact CD1-CB 4.17Å; Y4-C485 HydrophobicContact CE1-CB 3.58Å; Y4-C485 HydrophobicContact CE2-CB 4.45Å
5L93.6Very high89.3Confident59 Ų5984.2 Ų84.231%0.30950%0.501SS..EExtended strand (participates in β ladder)trans-66.9163.6168.6-63.5174.9000111.8Q7 N9 W32 R33 V34L5-Q7 VanDerWaalsContact C-N 3.29Å; L5-Q7 WeakPolarHBondContact CB-O 3.42Å; L5-Q7 PolarHBondContact O-N 3.13Å; L5-N9 HydrophobicContact CD1-CB 4.34Å; L5-W32 PolarHBondContact N-O 3.43Å; L5-R33 WeakPolarHBondContact CD1-O 2.97Å; L5-R33 WeakPolarHBondContact CG-O 3.37Å; L5-V34 HydrophobicContact CD2-CG1 4.36Å
6S93.1Very high89.7Confident122 Ų12280.6 Ų80.685%0.85348%0.479SS*.EExtended strand (participates in β ladder)trans-75.1-17.2174.355.50000114.1
7Q94.8Very high90Very high150 Ų15076.2 Ų76.270%0.70145%0.453SS*.EExtended strand (participates in β ladder)trans-151.6149.7172.7-65.5-171.4-12.600107.7L5L5-Q7 VanDerWaalsContact C-N 3.29Å; L5-Q7 WeakPolarHBondContact CB-O 3.42Å; L5-Q7 PolarHBondContact O-N 3.13Å
8P96.6Very high90.2Very high35 Ų3572.1 Ų72.123%0.22743%0.43CS..EExtended strand (participates in β ladder)trans-74.2143.1-177.328.4-30.2000111.5T10 G31 W32 L474P8-T10 HydrophobicContact CB-CG2 4.15Å; P8-T10 HydrophobicContact CG-CG2 4.02Å; P8-T10 PolarHBondContact O-N 2.6Å; P8-G31 CarbonylContact C-O 3.53Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; P8-G31 WeakPolarHBondContact CB-O 3.4Å; P8-W32 HydrophobicContact CB-CD2 3.8Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 3.9Å; P8-W32 HydrophobicContact CB-CZ2 4.42Å; P8-W32 HydrophobicContact CG-CD2 4.15Å; P8-W32 HydrophobicContact CG-CH2 4.41Å; P8-W32 HydrophobicContact CG-CZ2 3.86Å; P8-L474 HydrophobicContact CB-CD1 4Å; P8-L474 HydrophobicContact CB-CD2 4.45Å; P8-L474 HydrophobicContact CG-CD1 4.5Å; P8-L474 HydrophobicContact CG-CD2 4.33Å
9N97.4Very high90.2Very high56 Ų5669.9 Ų69.930%0.29942%0.416SS..EExtended strand (participates in β ladder)trans-81.1100.1167.4-179.713.8000109.4L5 V11 M29 Q30 G31L5-N9 HydrophobicContact CD1-CB 4.34Å; N9-V11 WeakPolarHBondContact OD1-CB 3.19Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.29Å; N9-V11 PolarHBondContact OD1-N 2.68Å; N9-M29 WeakPolarHBondContact O-CG 3.48Å; N9-Q30 HydrophobicContact CB-CB 3.97Å; N9-Q30 HydrophobicContact CB-CG 4.08Å; N9-Q30 PolarHBondContact ND2-OE1 3.49Å; N9-G31 PolarHBondContact N-O 2.62Å; N9-G31 PolarHBondContact O-N 3.05Å
10T97.6Very high90Very high69 Ų6975.7 Ų75.742%0.42344%0.438SS..EExtended strand (participates in β ladder)trans-94.710.3-177.859.30000114P8 K12 M29 L474P8-T10 HydrophobicContact CB-CG2 4.15Å; P8-T10 HydrophobicContact CG-CG2 4.02Å; P8-T10 PolarHBondContact O-N 2.6Å; T10-K12 PolarHBondContact O-N 2.93Å; T10-M29 HydrophobicContact CG2-SD 4.44Å; T10-L474 HydrophobicContact CG2-CD2 3.53Å
11V97.9Very high89.9Confident113 Ų11378.4 Ų78.469%0.68545%0.445SS*.EExtended strand (participates in β ladder)trans-66.1126.3170.2179.60000108.5N9N9-V11 WeakPolarHBondContact OD1-CB 3.19Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.29Å; N9-V11 PolarHBondContact OD1-N 2.68Å
12K97.6Very high92.2Very high51 Ų5167.5 Ų67.522%0.22239%0.391CS..EExtended strand (participates in β ladder)trans-106.1133.3-178.6-56.7-170.1173.468.30110.8T10 A28 M29 E467 L470 D471T10-K12 PolarHBondContact O-N 2.93Å; K12-A28 VanDerWaalsContact CA-O 3.31Å; K12-A28 WeakPolarHBondContact CA-O 3.42Å; K12-M29 HydrophobicContact CD-SD 4.32Å; K12-M29 WeakPolarHBondContact CE-SD 3.48Å; K12-M29 HydrophobicContact CG-CB 4.2Å; K12-M29 HydrophobicContact CG-CG 4.2Å; K12-M29 HydrophobicContact CG-SD 3.98Å; K12-E467 HydrophobicContact CD-CB 3.86Å; K12-E467 HydrophobicContact CD-CG 3.77Å; K12-E467 WeakPolarHBondContact CE-O 3.27Å; K12-L470 HydrophobicContact CD-CD1 4.28Å; K12-D471 WeakPolarHBondContact CE-OD2 3.18Å; K12-D471 IonicContact NZ-OD1 3.75Å; K12-D471 PolarHBondContact NZ-OD1 2.98Å; K12-D471 IonicContact NZ-OD2 2.66Å; K12-D471 PolarHBondContact NZ-OD2 3.38Å
13S97.7Very high93.9Very high76 Ų7664.9 Ų64.953%0.53136%0.364SS..EExtended strand (participates in β ladder)trans-93.4120.8162.1-175.90000107.9A27 A28S13-A27 CarbonylContact O-C 3.48Å; S13-A27 VanDerWaalsContact O-CA 3.26Å; S13-A27 WeakPolarHBondContact O-CA 3.35Å; S13-A28 PolarHBondContact N-O 2.58Å; S13-A28 PolarHBondContact O-N 3.23Å
14S97.8Very high94.8Very high44 Ų4462.5 Ų62.531%0.30834%0.342SS..EExtended strand (participates in β ladder)trans-143.9150.8-175.688.10000112.2F26 E467S14-F26 WeakPolarHBondContact CA-O 3.24Å; S14-F26 WeakPolarHBondContact CB-O 3.5Å; S14-E467 VanDerWaalsContact CB-OE1 3.23Å; S14-E467 WeakPolarHBondContact CB-OE1 3.42Å; S14-E467 PolarHBondContact OG-OE1 2.87Å
15S96.9Very high95.1Very high52 Ų5259 Ų5936%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-158.3160.3178.4-1640000112.5G25 F26 S463S15-G25 CarbonylContact O-C 3.57Å; S15-G25 VanDerWaalsContact O-CA 3.22Å; S15-G25 WeakPolarHBondContact O-CA 3.21Å; S15-F26 VanDerWaalsContact CB-CE1 3.44Å; S15-F26 PolarHBondContact N-O 3.08Å; S15-F26 VanDerWaalsContact N-O 3.15Å; S15-F26 PolarHBondContact O-N 2.81Å; S15-S463 WeakPolarHBondContact O-CB 3.42Å
16N96.3Very high95.4Very high27 Ų2757.4 Ų57.414%0.14432%0.319CS..EExtended strand (participates in β ladder)trans-123.3150.3175.4-63.2-84.7000109.6F24 L462 S463 N501 D505N16-F24 WeakPolarHBondContact CA-O 3.23Å; N16-L462 PolarHBondContact OD1-N 3.05Å; N16-S463 WeakPolarHBondContact ND2-CB 3.37Å; N16-S463 PolarHBondContact ND2-OG 3.12Å; N16-S463 PolarHBondContact OD1-N 3Å; N16-N501 PolarHBondContact OD1-OD1 2.81Å; N16-D505 HydrophobicContact CB-CB 4.47Å
17G94.8Very high95.6Very high5 Ų551.6 Ų51.65%0.05228%0.278CS..EExtended strand (participates in β ladder)trans-158.4176.417300000112.3S23 F24 N501 D505G17-S23 WeakPolarHBondContact O-CA 3.48Å; G17-F24 PolarHBondContact N-O 3.17Å; G17-F24 PolarHBondContact O-N 3.5Å; G17-N501 PolarHBondContact O-ND2 3.14Å; G17-D505 WeakPolarHBondContact CA-O 3.4Å
18G93.6Very high95.8Very high3 Ų345 Ų453%0.03125%0.249CC..EExtended strand (participates in β ladder)trans174.6-179.5172.800000114.1M22 L44 D505 I506G18-M22 WeakPolarHBondContact CA-O 3.5Å; G18-L44 WeakPolarHBondContact O-CD1 3.36Å; G18-D505 PolarHBondContact N-O 3.43Å; G18-I506 CarbonylContact O-C 3.54Å; G18-I506 WeakPolarHBondContact O-CA 3.43Å
19N90.1Very high95.9Very high31 Ų3143.3 Ų43.317%0.16624%0.238CC..  trans-143.1-166.7167.763.737.6000108.4K21 M22N19-K21 PolarHBondContact O-N 2.88Å; N19-K21 WeakPolarHBondContact OD1-CA 3.49Å; N19-K21 WeakPolarHBondContact OD1-CB 3.41Å; N19-K21 PolarHBondContact OD1-N 3.38Å; N19-M22 PolarHBondContact N-O 3.46Å; N19-M22 PolarHBondContact OD1-N 3.33Å
20Q86.3Confident95.9Very high184 Ų18442 Ų4286%0.8623%0.23SC*.SBendtrans-71.4-16-179.3-64.5-179.70.400114.3
21K88.6Confident95.9Very high133 Ų13338.7 Ų38.758%0.57821%0.21SC*.SBendtrans-96.3-29.1-177.4-56.2175.1-176.7169.70112.9N19 F495 G496N19-K21 PolarHBondContact O-N 2.88Å; N19-K21 WeakPolarHBondContact OD1-CA 3.49Å; N19-K21 WeakPolarHBondContact OD1-CB 3.41Å; N19-K21 PolarHBondContact OD1-N 3.38Å; K21-F495 CarbonylContact O-C 3.53Å; K21-G496 WeakPolarHBondContact O-CA 3.33Å; K21-G496 PolarHBondContact O-N 3.21Å
22M94.2Very high95.9Very high13 Ų1334.4 Ų34.46%0.06418%0.181CC..  trans-157.8162.8-171.459.9-174.467.900111.6G18 N19 L44 A51 F53 I327 T494 G496G18-M22 WeakPolarHBondContact CA-O 3.5Å; N19-M22 PolarHBondContact N-O 3.46Å; N19-M22 PolarHBondContact OD1-N 3.33Å; M22-L44 HydrophobicContact CG-CD2 3.82Å; M22-L44 HydrophobicContact SD-CD2 3.95Å; M22-A51 HydrophobicContact CE-CB 3.86Å; M22-A51 HydrophobicContact SD-CB 3.6Å; M22-A51 VanDerWaalsContact SD-CB 3.6Å; M22-F53 HydrophobicContact SD-CE2 3.83Å; M22-F53 HydrophobicContact SD-CZ 4Å; M22-I327 HydrophobicContact CE-CB 4.2Å; M22-I327 HydrophobicContact CE-CD1 3.88Å; M22-I327 HydrophobicContact CE-CG2 4.02Å; M22-I327 HydrophobicContact SD-CD1 4.23Å; M22-T494 VanDerWaalsContact CA-O 3.24Å; M22-T494 WeakPolarHBondContact CA-O 3.46Å; M22-T494 VanDerWaalsContact CB-O 3.28Å; M22-T494 WeakPolarHBondContact CB-O 3.41Å; M22-G496 CarbonylContact C-O 3.54Å
23S96.6Very high95.8Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-138.7154.8168.8-62.10000109.9G17 I493 T494 G496 A497 H498G17-S23 WeakPolarHBondContact O-CA 3.48Å; S23-I493 CarbonylContact O-C 3.55Å; S23-I493 WeakPolarHBondContact O-CA 3.14Å; S23-T494 WeakPolarHBondContact CB-OG1 3.28Å; S23-T494 PolarHBondContact N-O 3.31Å; S23-T494 PolarHBondContact N-OG1 2.81Å; S23-T494 PolarHBondContact O-N 2.94Å; S23-T494 PolarHBondContact O-OG1 2.72Å; S23-G496 PolarHBondContact N-O 2.87Å; S23-A497 WeakPolarHBondContact OG-CA 3.29Å; S23-H498 PolarHBondContact OG-N 2.67Å
24F98.1Very high95.6Very high17 Ų1736.1 Ų36.18%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-135.8160.717773.1-93.7000111.7N16 G17 F26 C42 L44 F53 I492 I493 N501N16-F24 WeakPolarHBondContact CA-O 3.23Å; G17-F24 PolarHBondContact N-O 3.17Å; G17-F24 PolarHBondContact O-N 3.5Å; F24-F26 HydrophobicContact CD2-CD1 4.49Å; F24-F26 HydrophobicContact CE2-CD1 4.13Å; F24-C42 HydrophobicContact CD1-CB 4.45Å; F24-C42 HydrophobicContact CD2-CB 3.87Å; F24-C42 HydrophobicContact CE1-CB 4.09Å; F24-C42 HydrophobicContact CE2-CB 3.5Å; F24-C42 VanDerWaalsContact CE2-CB 3.5Å; F24-C42 HydrophobicContact CG-CB 4.35Å; F24-C42 HydrophobicContact CZ-CB 3.61Å; F24-L44 HydrophobicContact CD1-CD1 4.49Å; F24-L44 HydrophobicContact CD1-CD2 4Å; F24-L44 HydrophobicContact CD1-CG 4.24Å; F24-L44 HydrophobicContact CE1-CD1 3.91Å; F24-L44 HydrophobicContact CE1-CD2 4.16Å; F24-L44 HydrophobicContact CE1-CG 3.88Å; F24-F53 HydrophobicContact CB-CE1 3.75Å; F24-F53 HydrophobicContact CB-CZ 4.33Å; F24-F53 AromaticContact CD1-CE1 3.75Å; F24-F53 HydrophobicContact CD1-CE1 3.75Å; F24-F53 HydrophobicContact CD1-CZ 4.21Å; F24-F53 AromaticContact CG-CE1 3.8Å; F24-F53 HydrophobicContact CG-CE1 3.8Å; F24-I492 CarbonylContact C-O 3.51Å; F24-I492 WeakPolarHBondContact CA-O 3.34Å; F24-I493 HydrophobicContact CB-CG1 4.13Å; F24-N501 PolarHBondContact O-ND2 3.36Å
25G98.3Very high95.4Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-148142.5157.900000109.6S15 I492S15-G25 CarbonylContact O-C 3.57Å; S15-G25 VanDerWaalsContact O-CA 3.22Å; S15-G25 WeakPolarHBondContact O-CA 3.21Å; G25-I492 PolarHBondContact N-O 3.24Å; G25-I492 PolarHBondContact O-N 3.38Å
26F98.5Very high95.4Very high25 Ų2535.8 Ų35.811%0.1118%0.176CC..EExtended strand (participates in β ladder)trans-122159175.374.1-102.8000110.6S14 S15 F24 H40 S463 C490 I491S14-F26 WeakPolarHBondContact CA-O 3.24Å; S14-F26 WeakPolarHBondContact CB-O 3.5Å; S15-F26 VanDerWaalsContact CB-CE1 3.44Å; S15-F26 PolarHBondContact N-O 3.08Å; S15-F26 VanDerWaalsContact N-O 3.15Å; S15-F26 PolarHBondContact O-N 2.81Å; F24-F26 HydrophobicContact CD2-CD1 4.49Å; F24-F26 HydrophobicContact CE2-CD1 4.13Å; F26-H40 AromaticContact CD1-NE2 3.79Å; F26-H40 AromaticContact CD2-CE1 3.79Å; F26-H40 AromaticContact CD2-NE2 3.57Å; F26-H40 AromaticContact CE1-NE2 3.53Å; F26-H40 AromaticContact CE2-CE1 3.58Å; F26-H40 AromaticContact CE2-NE2 3.35Å; F26-H40 WeakPolarHBondContact CE2-NE2 3.47Å; F26-H40 AromaticContact CG-NE2 3.81Å; F26-H40 AromaticContact CZ-CE1 3.97Å; F26-H40 AromaticContact CZ-NE2 3.33Å; F26-H40 VanDerWaalsContact CZ-NE2 3.33Å; F26-H40 WeakPolarHBondContact CZ-NE2 3.46Å; F26-S463 WeakPolarHBondContact O-CB 3.21Å; F26-C490 WeakPolarHBondContact CA-O 3.41Å; F26-C490 WeakPolarHBondContact CB-O 3.42Å; F26-I491 HydrophobicContact CB-CB 4.37Å; F26-I491 HydrophobicContact CB-CG1 4.02Å; F26-I491 HydrophobicContact CB-CG2 4.26Å
27A98.8Very high95.4Very high0 Ų035.5 Ų35.50%018%0.175CC..EExtended strand (participates in β ladder)trans-141.7149.915600000110S13 V466 E467 L470 C490S13-A27 CarbonylContact O-C 3.48Å; S13-A27 VanDerWaalsContact O-CA 3.26Å; S13-A27 WeakPolarHBondContact O-CA 3.35Å; A27-V466 HydrophobicContact CB-CB 3.89Å; A27-V466 HydrophobicContact CB-CG1 3.72Å; A27-E467 HydrophobicContact CB-CG 3.92Å; A27-L470 HydrophobicContact CB-CD1 3.82Å; A27-L470 HydrophobicContact CB-CG 4.41Å; A27-C490 PolarHBondContact N-O 2.95Å; A27-C490 PolarHBondContact O-N 3.09Å
28A98.6Very high95.6Very high10 Ų1036 Ų368%0.08318%0.176CC..EExtended strand (participates in β ladder)trans-131.2140.7175.500000110.1K12 S13 M36 M488 T489K12-A28 VanDerWaalsContact CA-O 3.31Å; K12-A28 WeakPolarHBondContact CA-O 3.42Å; S13-A28 PolarHBondContact N-O 2.58Å; S13-A28 PolarHBondContact O-N 3.23Å; A28-M36 HydrophobicContact CB-CE 4.21Å; A28-M488 CarbonylContact C-O 3.45Å; A28-M488 VanDerWaalsContact CA-O 3.27Å; A28-M488 WeakPolarHBondContact CA-O 3.38Å; A28-T489 HydrophobicContact CB-CG2 4.27Å; A28-T489 WeakPolarHBondContact CB-OG1 3.42Å
29M98.4Very high95.8Very high1 Ų136.1 Ų36.11%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-148.8138.3-177.8-173.1175.172.100111N9 T10 K12 M36 L470 L474 M488N9-M29 WeakPolarHBondContact O-CG 3.48Å; T10-M29 HydrophobicContact CG2-SD 4.44Å; K12-M29 HydrophobicContact CD-SD 4.32Å; K12-M29 WeakPolarHBondContact CE-SD 3.48Å; K12-M29 HydrophobicContact CG-CB 4.2Å; K12-M29 HydrophobicContact CG-CG 4.2Å; K12-M29 HydrophobicContact CG-SD 3.98Å; M29-M36 VanDerWaalsContact C-SD 3.57Å; M29-L470 HydrophobicContact CB-CD1 3.6Å; M29-L470 HydrophobicContact CE-CB 3.88Å; M29-L470 HydrophobicContact SD-CB 4.47Å; M29-L474 HydrophobicContact CE-CB 4Å; M29-L474 HydrophobicContact CE-CD1 4.25Å; M29-L474 HydrophobicContact CE-CD2 4.04Å; M29-L474 HydrophobicContact CE-CG 4.33Å; M29-M488 HydrophobicContact CE-CE 3.62Å; M29-M488 HydrophobicContact CE-SD 4.06Å; M29-M488 PolarHBondContact N-O 2.75Å; M29-M488 PolarHBondContact O-N 2.66Å
30Q98.1Very high96.2Very high28 Ų2836.8 Ų36.813%0.13118%0.179CC..EExtended strand (participates in β ladder)trans-73-30-175.2172.1172-0.100114.2N9 W32 R33 V34 S35 M36 N487N9-Q30 HydrophobicContact CB-CB 3.97Å; N9-Q30 HydrophobicContact CB-CG 4.08Å; N9-Q30 PolarHBondContact ND2-OE1 3.49Å; Q30-W32 PolarHBondContact O-N 2.89Å; Q30-R33 PolarHBondContact NE2-O 3.32Å; Q30-V34 PolarHBondContact NE2-O 2.82Å; Q30-S35 WeakPolarHBondContact CG-O 3.16Å; Q30-M36 VanDerWaalsContact CA-SD 3.5Å; Q30-M36 HydrophobicContact CB-CB 4.23Å; Q30-M36 HydrophobicContact CB-SD 3.96Å; Q30-M36 HydrophobicContact CG-CB 4.41Å; Q30-N487 PolarHBondContact O-ND2 2.8Å
31G97.2Very high96.8Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans65.7-134.3-178.900000111.8P8 N9P8-G31 CarbonylContact C-O 3.53Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; P8-G31 WeakPolarHBondContact CB-O 3.4Å; N9-G31 PolarHBondContact N-O 2.62Å; N9-G31 PolarHBondContact O-N 3.05Å
32W97.3Very high97.3Very high22 Ų2223.9 Ų23.98%0.08312%0.124CC..EExtended strand (participates in β ladder)trans-96.8-10.7-175.2-66.185.3000114.6Y4 L5 P8 Q30 A475 T478 C485Y4-W32 CarbonylContact C-O 3.6Å; Y4-W32 WeakPolarHBondContact CA-O 3.4Å; Y4-W32 HydrophobicContact CD1-CB 4.06Å; Y4-W32 HydrophobicContact CG-CB 4.39Å; L5-W32 PolarHBondContact N-O 3.43Å; P8-W32 HydrophobicContact CB-CD2 3.8Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 3.9Å; P8-W32 HydrophobicContact CB-CZ2 4.42Å; P8-W32 HydrophobicContact CG-CD2 4.15Å; P8-W32 HydrophobicContact CG-CH2 4.41Å; P8-W32 HydrophobicContact CG-CZ2 3.86Å; Q30-W32 PolarHBondContact O-N 2.89Å; W32-A475 PolarHBondContact NE1-O 3.06Å; W32-T478 HydrophobicContact CB-CG2 4.01Å; W32-T478 HydrophobicContact CD2-CG2 3.42Å; W32-T478 VanDerWaalsContact CD2-CG2 3.42Å; W32-T478 HydrophobicContact CE3-CG2 3.35Å; W32-T478 HydrophobicContact CG-CG2 3.77Å; W32-T478 HydrophobicContact CH2-CG2 4.41Å; W32-T478 HydrophobicContact CZ3-CG2 3.87Å; W32-C485 WeakPolarHBondContact CA-O 3.17Å; W32-C485 HydrophobicContact CB-CB 4.14Å; W32-C485 VanDerWaalsContact CB-O 3.28Å; W32-C485 WeakPolarHBondContact CB-O 3.39Å; W32-C485 HydrophobicContact CG-CB 4.49Å; W32-C485 PolarHBondContact N-O 2.82Å; W32-C485 VanDerWaalsContact N-O 3.08Å
33R95.4Very high97.5Very high82 Ų8225.5 Ų25.531%0.30913%0.132SC..EExtended strand (participates in β ladder)trans-59152.4175.3-67.2-68.7-173.9163.42.3112.1L5 Q30 S35 C485 D486 N487L5-R33 WeakPolarHBondContact CD1-O 2.97Å; L5-R33 WeakPolarHBondContact CG-O 3.37Å; Q30-R33 PolarHBondContact NE2-O 3.32Å; R33-S35 VanDerWaalsContact C-N 3.27Å; R33-S35 WeakPolarHBondContact CB-O 3.49Å; R33-S35 PolarHBondContact O-N 3.33Å; R33-C485 PolarHBondContact N-O 3.17Å; R33-D486 WeakPolarHBondContact CG-OD1 3.42Å; R33-D486 IonicContact CZ-OD1 3.44Å; R33-D486 IonicContact CZ-OD2 3.36Å; R33-D486 VanDerWaalsContact NE-CG 3.3Å; R33-D486 IonicContact NE-OD1 2.74Å; R33-D486 PolarHBondContact NE-OD1 2.9Å; R33-D486 IonicContact NE-OD2 3.25Å; R33-D486 PolarHBondContact NE-OD2 3.42Å; R33-D486 IonicContact NH2-OD1 3.38Å; R33-D486 PolarHBondContact NH2-OD1 2.55Å; R33-D486 IonicContact NH2-OD2 2.67Å; R33-D486 PolarHBondContact NH2-OD2 3.01Å; R33-N487 WeakPolarHBondContact CB-ND2 3.25Å
34V94.1Very high97.4Very high81 Ų8127.2 Ų27.249%0.49114%0.141SC..SBendtrans-69.1-26178.7-64.40000113.5L5 Q30L5-V34 HydrophobicContact CD2-CG1 4.36Å; Q30-V34 PolarHBondContact NE2-O 2.82Å
35S94.1Very high97.3Very high42 Ų4231.9 Ų31.929%0.29416%0.163SC..SBendtrans-125.3164.4-17822.40000110.6Q30 R33 E37 N487Q30-S35 WeakPolarHBondContact CG-O 3.16Å; R33-S35 VanDerWaalsContact C-N 3.27Å; R33-S35 WeakPolarHBondContact CB-O 3.49Å; R33-S35 PolarHBondContact O-N 3.33Å; S35-E37 WeakPolarHBondContact CB-OE2 3.26Å; S35-E37 PolarHBondContact OG-OE2 2.88Å; S35-N487 PolarHBondContact O-ND2 2.85Å; S35-N487 PolarHBondContact O-OD1 3.49Å
36M96.3Very high97.1Very high47 Ų4732.4 Ų32.423%0.23217%0.166CC..  trans-108109.4163.7179.881.3-147.600106.3A28 M29 Q30 D38 N487 T489A28-M36 HydrophobicContact CB-CE 4.21Å; M29-M36 VanDerWaalsContact C-SD 3.57Å; Q30-M36 VanDerWaalsContact CA-SD 3.5Å; Q30-M36 HydrophobicContact CB-CB 4.23Å; Q30-M36 HydrophobicContact CB-SD 3.96Å; Q30-M36 HydrophobicContact CG-CB 4.41Å; M36-D38 HydrophobicContact CE-CB 3.51Å; M36-D38 VanDerWaalsContact CE-CG 3.43Å; M36-D38 VanDerWaalsContact CE-OD2 3.28Å; M36-D38 WeakPolarHBondContact CE-OD2 3.24Å; M36-N487 WeakPolarHBondContact CA-OD1 3.42Å; M36-N487 HydrophobicContact CE-CB 4.18Å; M36-N487 HydrophobicContact SD-CB 4.42Å; M36-T489 WeakPolarHBondContact CE-OG1 3Å
37E96.5Very high96.9Very high22 Ų2233.5 Ų33.510%0.10317%0.173CC..  trans-105.4-20-172.6-70162.27700112.2S35 G58 H59 G60 G61 E62 A65 N487S35-E37 WeakPolarHBondContact CB-OE2 3.26Å; S35-E37 PolarHBondContact OG-OE2 2.88Å; E37-G58 VanDerWaalsContact CB-O 3.25Å; E37-G58 WeakPolarHBondContact CB-O 3.37Å; E37-H59 WeakPolarHBondContact OE1-CA 3.39Å; E37-G60 PolarHBondContact OE1-N 3.18Å; E37-G61 PolarHBondContact OE1-N 2.76Å; E37-E62 HydrophobicContact CG-CB 4.42Å; E37-A65 WeakPolarHBondContact O-CB 3.46Å; E37-N487 PolarHBondContact N-OD1 2.95Å
38D98.4Very high96.5Very high14 Ų1441.4 Ų41.48%0.07522%0.215CC..  trans-63.4146.5176.4-41-9.1000113.7M36 Y56 N487 T489M36-D38 HydrophobicContact CE-CB 3.51Å; M36-D38 VanDerWaalsContact CE-CG 3.43Å; M36-D38 VanDerWaalsContact CE-OD2 3.28Å; M36-D38 WeakPolarHBondContact CE-OD2 3.24Å; D38-Y56 CarbonylContact C-O 3.59Å; D38-Y56 WeakPolarHBondContact CA-O 3.43Å; D38-N487 WeakPolarHBondContact OD1-CB 3.28Å; D38-T489 VanDerWaalsContact CB-OG1 3.27Å; D38-T489 WeakPolarHBondContact CB-OG1 3.37Å; D38-T489 WeakPolarHBondContact OD2-CB 3.39Å; D38-T489 PolarHBondContact OD2-N 2.89Å; D38-T489 PolarHBondContact OD2-OG1 3.02Å
39A98.6Very high96.2Very high6 Ų647 Ų475%0.0524%0.24CC..EExtended strand (participates in β ladder)trans-127.2169.3161.900000111.6Y56 A65 L66A39-Y56 HydrophobicContact CB-CD2 4.04Å; A39-Y56 PolarHBondContact N-O 2.79Å; A39-Y56 PolarHBondContact O-N 2.96Å; A39-A65 HydrophobicContact CB-CB 3.9Å; A39-A65 WeakPolarHBondContact CB-O 3.25Å; A39-L66 HydrophobicContact CB-CD2 4.14Å
40H98.8Very high96.1Very high46 Ų4647.1 Ų47.121%0.21324%0.24CC..EExtended strand (participates in β ladder)trans-154.6164.5177.762.2-90.5000113.5F26 S54 V55 T489 I491F26-H40 AromaticContact CD1-NE2 3.79Å; F26-H40 AromaticContact CD2-CE1 3.79Å; F26-H40 AromaticContact CD2-NE2 3.57Å; F26-H40 AromaticContact CE1-NE2 3.53Å; F26-H40 AromaticContact CE2-CE1 3.58Å; F26-H40 AromaticContact CE2-NE2 3.35Å; F26-H40 WeakPolarHBondContact CE2-NE2 3.47Å; F26-H40 AromaticContact CG-NE2 3.81Å; F26-H40 AromaticContact CZ-CE1 3.97Å; F26-H40 AromaticContact CZ-NE2 3.33Å; F26-H40 VanDerWaalsContact CZ-NE2 3.33Å; F26-H40 WeakPolarHBondContact CZ-NE2 3.46Å; H40-S54 CarbonylContact C-O 3.53Å; H40-S54 WeakPolarHBondContact CA-O 3.46Å; H40-S54 VanDerWaalsContact CB-O 3.24Å; H40-S54 WeakPolarHBondContact CB-O 3.31Å; H40-V55 HydrophobicContact CB-CG2 4.44Å; H40-T489 HydrophobicContact CB-CG2 3.98Å; H40-I491 HydrophobicContact CB-CD1 4.33Å
41N98.7Very high96.1Very high17 Ų1745.9 Ų45.99%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-128.9144.2169.4-60.8144.6000112.1I43 F53 S54 Y56 S69N41-I43 HydrophobicContact CB-CD1 4.03Å; N41-I43 HydrophobicContact CB-CG1 4.2Å; N41-F53 WeakPolarHBondContact O-CA 2.93Å; N41-S54 WeakPolarHBondContact CB-OG 3.39Å; N41-S54 PolarHBondContact N-O 3.19Å; N41-S54 PolarHBondContact O-N 3.29Å; N41-S54 VanDerWaalsContact O-N 3.1Å; N41-S54 PolarHBondContact OD1-OG 3.21Å; N41-Y56 WeakPolarHBondContact OD1-CE2 3.08Å; N41-Y56 PolarHBondContact OD1-OH 3.41Å; N41-S69 PolarHBondContact ND2-O 3.48Å; N41-S69 PolarHBondContact OD1-O 3.03Å
42C98.3Very high96.1Very high28 Ų2845.9 Ų45.919%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-135.669.8173.3-75.30000110.3F24 F53F24-C42 HydrophobicContact CD1-CB 4.45Å; F24-C42 HydrophobicContact CD2-CB 3.87Å; F24-C42 HydrophobicContact CE1-CB 4.09Å; F24-C42 HydrophobicContact CE2-CB 3.5Å; F24-C42 VanDerWaalsContact CE2-CB 3.5Å; F24-C42 HydrophobicContact CG-CB 4.35Å; F24-C42 HydrophobicContact CZ-CB 3.61Å; C42-F53 HydrophobicContact CB-CD1 4.13Å; C42-F53 HydrophobicContact CB-CE1 4.15Å
43I97.9Very high96.2Very high47 Ų4744.9 Ų44.924%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-99.9102-169.3-59.6168.2000109.7N41 E45 L46 A51 M52 P73N41-I43 HydrophobicContact CB-CD1 4.03Å; N41-I43 HydrophobicContact CB-CG1 4.2Å; I43-E45 VanDerWaalsContact C-N 3.31Å; I43-E45 PolarHBondContact O-N 2.88Å; I43-L46 HydrophobicContact CG2-CB 4.06Å; I43-L46 HydrophobicContact CG2-CD1 4.46Å; I43-A51 CarbonylContact O-C 3.51Å; I43-A51 VanDerWaalsContact O-CA 3.26Å; I43-A51 WeakPolarHBondContact O-CA 3.37Å; I43-A51 WeakPolarHBondContact O-CB 3.45Å; I43-M52 WeakPolarHBondContact CA-O 3.4Å; I43-M52 HydrophobicContact CB-CB 4.32Å; I43-M52 HydrophobicContact CD1-SD 4.5Å; I43-M52 PolarHBondContact N-O 3.24Å; I43-M52 PolarHBondContact O-N 3.39Å; I43-P73 HydrophobicContact CD1-CB 3.79Å; I43-P73 HydrophobicContact CD1-CG 3.59Å
44L95.9Very high96.4Very high37 Ų3741 Ų4119%0.19422%0.216CC..SBendtrans-71.6-21.1-179.1-71.4168.9000115.1G18 M22 F24 F53G18-L44 WeakPolarHBondContact O-CD1 3.36Å; M22-L44 HydrophobicContact CG-CD2 3.82Å; M22-L44 HydrophobicContact SD-CD2 3.95Å; F24-L44 HydrophobicContact CD1-CD1 4.49Å; F24-L44 HydrophobicContact CD1-CD2 4Å; F24-L44 HydrophobicContact CD1-CG 4.24Å; F24-L44 HydrophobicContact CE1-CD1 3.91Å; F24-L44 HydrophobicContact CE1-CD2 4.16Å; F24-L44 HydrophobicContact CE1-CG 3.88Å; L44-F53 HydrophobicContact CD2-CZ 4.19Å
45E94.5Very high96.6Very high114 Ų11437.1 Ų37.153%0.53319%0.193SC..  trans-141.275.3-175.6-65.9177.9161.200108.1I43 D47 K509I43-E45 VanDerWaalsContact C-N 3.31Å; I43-E45 PolarHBondContact O-N 2.88Å; E45-D47 VanDerWaalsContact C-N 3.33Å; E45-K509 IonicContact OE1-NZ 2.68Å; E45-K509 PolarHBondContact OE1-NZ 3Å; E45-K509 IonicContact OE2-NZ 2.6Å; E45-K509 PolarHBondContact OE2-NZ 3.01Å
46L95.7Very high96.8Very high12 Ų1235.1 Ų35.16%0.06318%0.179CC..SBendtrans-68.5-39.9172.1179.267.1000109.8I43 T50 M52 P73 K77 Y82 L326I43-L46 HydrophobicContact CG2-CB 4.06Å; I43-L46 HydrophobicContact CG2-CD1 4.46Å; L46-T50 WeakPolarHBondContact CB-O 3.07Å; L46-T50 HydrophobicContact CD2-CG2 4.36Å; L46-T50 PolarHBondContact N-O 3.08Å; L46-M52 HydrophobicContact CB-CB 4.35Å; L46-M52 HydrophobicContact CD1-SD 4.29Å; L46-M52 HydrophobicContact CD2-CB 4.03Å; L46-M52 HydrophobicContact CD2-SD 4.2Å; L46-P73 HydrophobicContact CD1-CB 3.81Å; L46-K77 HydrophobicContact CD1-CD 3.95Å; L46-K77 HydrophobicContact CD1-CG 4.37Å; L46-K77 HydrophobicContact CG-CD 4.02Å; L46-K77 HydrophobicContact CG-CG 4.25Å; L46-K77 WeakPolarHBondContact O-CD 3.18Å; L46-Y82 HydrophobicContact CD2-CE2 4.41Å; L46-L326 HydrophobicContact CD2-CD2 3.99Å
47D93.7Very high96.9Very high47 Ų4733.7 Ų33.725%0.25117%0.172SC..SBendtrans-142.4-170.916262.339.6000109.2E45 E49 T50 Y82 R328E45-D47 VanDerWaalsContact C-N 3.33Å; D47-E49 PolarHBondContact O-N 3.5Å; D47-E49 VanDerWaalsContact O-N 3.13Å; D47-E49 PolarHBondContact OD1-N 3.07Å; D47-T50 WeakPolarHBondContact OD1-CB 3.43Å; D47-T50 PolarHBondContact OD1-N 3.38Å; D47-T50 PolarHBondContact OD1-OG1 2.76Å; D47-T50 PolarHBondContact OD2-OG1 3.09Å; D47-T50 VanDerWaalsContact OD2-OG1 3.05Å; D47-Y82 VanDerWaalsContact OD2-CE1 3.29Å; D47-Y82 WeakPolarHBondContact OD2-CE1 3.28Å; D47-Y82 VanDerWaalsContact OD2-CZ 3.32Å; D47-Y82 PolarHBondContact OD2-OH 2.61Å; D47-R328 IonicContact OD1-NH2 4Å; D47-R328 IonicContact OD2-CZ 3.93Å; D47-R328 IonicContact OD2-NH2 2.81Å; D47-R328 PolarHBondContact OD2-NH2 2.84Å
48D89.6Confident97Very high167 Ų16733 Ų3389%0.89317%0.171SC*.SBendtrans-60.3-20.5-177.4-63.7-48.6000114.6
49E91.9Very high96.8Very high128 Ų12833.9 Ų33.960%0.59818%0.175SC*.SBendtrans-120-14.3-175-60.8-161.1149.400114.7D47 R328D47-E49 PolarHBondContact O-N 3.5Å; D47-E49 VanDerWaalsContact O-N 3.13Å; D47-E49 PolarHBondContact OD1-N 3.07Å; E49-R328 HydrophobicContact CB-CG 4.03Å
50T96.9Very high96.5Very high2 Ų235.6 Ų35.61%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-119.9130.7-162.8-40.90000112.4L46 D47 Y82 L326 I327 R328L46-T50 WeakPolarHBondContact CB-O 3.07Å; L46-T50 HydrophobicContact CD2-CG2 4.36Å; L46-T50 PolarHBondContact N-O 3.08Å; D47-T50 WeakPolarHBondContact OD1-CB 3.43Å; D47-T50 PolarHBondContact OD1-N 3.38Å; D47-T50 PolarHBondContact OD1-OG1 2.76Å; D47-T50 PolarHBondContact OD2-OG1 3.09Å; D47-T50 VanDerWaalsContact OD2-OG1 3.05Å; T50-Y82 PolarHBondContact OG1-OH 2.76Å; T50-L326 HydrophobicContact CG2-CB 4.42Å; T50-L326 HydrophobicContact CG2-CD2 4.49Å; T50-I327 WeakPolarHBondContact CA-O 3.38Å; T50-R328 HydrophobicContact CG2-CB 4.31Å; T50-R328 PolarHBondContact OG1-NE 3.48Å; T50-R328 PolarHBondContact OG1-NH2 3.4Å; T50-R328 VanDerWaalsContact OG1-NH2 3.08Å
51A98Very high96.2Very high3 Ų334 Ų343%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-103.4152.3163.900000110.5M22 I43 F53 L326 I327M22-A51 HydrophobicContact CE-CB 3.86Å; M22-A51 HydrophobicContact SD-CB 3.6Å; M22-A51 VanDerWaalsContact SD-CB 3.6Å; I43-A51 CarbonylContact O-C 3.51Å; I43-A51 VanDerWaalsContact O-CA 3.26Å; I43-A51 WeakPolarHBondContact O-CA 3.37Å; I43-A51 WeakPolarHBondContact O-CB 3.45Å; A51-F53 HydrophobicContact CB-CE2 3.99Å; A51-L326 WeakPolarHBondContact O-CA 3.16Å; A51-I327 HydrophobicContact CB-CB 4.45Å; A51-I327 PolarHBondContact N-O 3.11Å; A51-I327 PolarHBondContact O-N 3Å
52M98.6Very high96.1Very high0 Ų037.4 Ų37.40%021%0.205CC..EExtended strand (participates in β ladder)trans-132.2128.6177.6173177.9169.700110.2I43 L46 L72 P73 I76 V324 A325 L326I43-M52 WeakPolarHBondContact CA-O 3.4Å; I43-M52 HydrophobicContact CB-CB 4.32Å; I43-M52 HydrophobicContact CD1-SD 4.5Å; I43-M52 PolarHBondContact N-O 3.24Å; I43-M52 PolarHBondContact O-N 3.39Å; L46-M52 HydrophobicContact CB-CB 4.35Å; L46-M52 HydrophobicContact CD1-SD 4.29Å; L46-M52 HydrophobicContact CD2-CB 4.03Å; L46-M52 HydrophobicContact CD2-SD 4.2Å; M52-L72 HydrophobicContact CE-CG 4.48Å; M52-P73 HydrophobicContact CE-CB 4.39Å; M52-P73 HydrophobicContact CE-CG 3.83Å; M52-P73 HydrophobicContact SD-CB 3.94Å; M52-P73 HydrophobicContact SD-CG 3.97Å; M52-I76 HydrophobicContact CE-CD1 3.92Å; M52-I76 HydrophobicContact SD-CD1 3.94Å; M52-V324 HydrophobicContact CE-CG1 3.94Å; M52-V324 HydrophobicContact CG-CG1 4.34Å; M52-A325 WeakPolarHBondContact CA-O 3.38Å; M52-L326 HydrophobicContact CB-CD2 3.68Å; M52-L326 HydrophobicContact CG-CD2 3.82Å; M52-L326 HydrophobicContact SD-CD2 4.28Å
53F98.9Very high96Very high0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-126.1139.5171.2-60.4-88000108.8M22 F24 N41 C42 L44 A51 A325 I327 M427 I429 I491 I493M22-F53 HydrophobicContact SD-CE2 3.83Å; M22-F53 HydrophobicContact SD-CZ 4Å; F24-F53 HydrophobicContact CB-CE1 3.75Å; F24-F53 HydrophobicContact CB-CZ 4.33Å; F24-F53 AromaticContact CD1-CE1 3.75Å; F24-F53 HydrophobicContact CD1-CE1 3.75Å; F24-F53 HydrophobicContact CD1-CZ 4.21Å; F24-F53 AromaticContact CG-CE1 3.8Å; F24-F53 HydrophobicContact CG-CE1 3.8Å; N41-F53 WeakPolarHBondContact O-CA 2.93Å; C42-F53 HydrophobicContact CB-CD1 4.13Å; C42-F53 HydrophobicContact CB-CE1 4.15Å; L44-F53 HydrophobicContact CD2-CZ 4.19Å; A51-F53 HydrophobicContact CB-CE2 3.99Å; F53-A325 PolarHBondContact N-O 2.84Å; F53-A325 PolarHBondContact O-N 3.23Å; F53-I327 HydrophobicContact CD2-CD1 4.33Å; F53-I327 HydrophobicContact CE2-CD1 4.08Å; F53-M427 HydrophobicContact CD2-CE 4.1Å; F53-I429 HydrophobicContact CB-CD1 3.69Å; F53-I491 HydrophobicContact CD1-CG2 4.35Å; F53-I493 HydrophobicContact CB-CD1 4.3Å; F53-I493 HydrophobicContact CB-CG1 4.49Å; F53-I493 HydrophobicContact CD1-CD1 4.23Å; F53-I493 HydrophobicContact CD1-CG1 3.69Å; F53-I493 HydrophobicContact CD2-CG1 4.05Å; F53-I493 HydrophobicContact CD2-CG2 4.4Å; F53-I493 HydrophobicContact CE1-CG1 3.83Å; F53-I493 HydrophobicContact CE1-CG2 4.45Å; F53-I493 HydrophobicContact CE2-CG1 4.17Å; F53-I493 HydrophobicContact CE2-CG2 3.86Å; F53-I493 HydrophobicContact CG-CD1 4.15Å; F53-I493 HydrophobicContact CG-CG1 3.81Å; F53-I493 HydrophobicContact CZ-CG1 4.07Å; F53-I493 HydrophobicContact CZ-CG2 3.89Å
54S98.9Very high96Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-155.1153.9177.4530000112.6H40 N41 Y56 V323 I491H40-S54 CarbonylContact C-O 3.53Å; H40-S54 WeakPolarHBondContact CA-O 3.46Å; H40-S54 VanDerWaalsContact CB-O 3.24Å; H40-S54 WeakPolarHBondContact CB-O 3.31Å; N41-S54 WeakPolarHBondContact CB-OG 3.39Å; N41-S54 PolarHBondContact N-O 3.19Å; N41-S54 PolarHBondContact O-N 3.29Å; N41-S54 VanDerWaalsContact O-N 3.1Å; N41-S54 PolarHBondContact OD1-OG 3.21Å; S54-Y56 VanDerWaalsContact OG-CE2 3.32Å; S54-Y56 WeakPolarHBondContact OG-CE2 3.26Å; S54-Y56 PolarHBondContact OG-OH 3.33Å; S54-V323 WeakPolarHBondContact CA-O 3.14Å; S54-V323 WeakPolarHBondContact CB-O 3.12Å; S54-I491 WeakPolarHBondContact O-CD1 2.97Å
55V98.9Very high96.1Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-122.9140.1166.6177.80000107.1H40 V323 I429 C431 T489 I491H40-V55 HydrophobicContact CB-CG2 4.44Å; V55-V323 HydrophobicContact CB-CG1 3.97Å; V55-V323 PolarHBondContact N-O 3.23Å; V55-V323 PolarHBondContact O-N 3.03Å; V55-V323 VanDerWaalsContact O-N 3.1Å; V55-I429 HydrophobicContact CB-CG2 4.15Å; V55-I429 HydrophobicContact CG2-CB 4.34Å; V55-I429 HydrophobicContact CG2-CG2 3.78Å; V55-C431 HydrophobicContact CG1-CB 4.05Å; V55-T489 HydrophobicContact CG1-CG2 4.04Å; V55-T489 HydrophobicContact CG2-CG2 4.12Å; V55-I491 HydrophobicContact CG2-CD1 3.75Å; V55-I491 HydrophobicContact CG2-CG1 3.96Å
56Y98.8Very high96.3Very high0 Ų028.7 Ų28.70%016%0.161CC..EExtended strand (participates in β ladder)trans-122.6108.4175.5-47.6-80.5000106.1D38 A39 N41 S54 C68 S69 L72 T320 T321 A322 V324D38-Y56 CarbonylContact C-O 3.59Å; D38-Y56 WeakPolarHBondContact CA-O 3.43Å; A39-Y56 HydrophobicContact CB-CD2 4.04Å; A39-Y56 PolarHBondContact N-O 2.79Å; A39-Y56 PolarHBondContact O-N 2.96Å; N41-Y56 WeakPolarHBondContact OD1-CE2 3.08Å; N41-Y56 PolarHBondContact OD1-OH 3.41Å; S54-Y56 VanDerWaalsContact OG-CE2 3.32Å; S54-Y56 WeakPolarHBondContact OG-CE2 3.26Å; S54-Y56 PolarHBondContact OG-OH 3.33Å; Y56-C68 HydrophobicContact CD1-CB 3.75Å; Y56-C68 HydrophobicContact CE1-CB 3.76Å; Y56-C68 HydrophobicContact CG-CB 4.22Å; Y56-S69 VanDerWaalsContact CE2-CA 3.44Å; Y56-L72 HydrophobicContact CE1-CD2 3.83Å; Y56-T320 WeakPolarHBondContact CB-OG1 3.4Å; Y56-T321 VanDerWaalsContact CA-O 3.26Å; Y56-T321 WeakPolarHBondContact CA-O 3.22Å; Y56-A322 HydrophobicContact CD1-CB 3.81Å; Y56-A322 HydrophobicContact CE1-CB 4.1Å; Y56-V324 HydrophobicContact CE1-CG2 4.43Å
57D98.4Very high96.5Very high17 Ų1728.5 Ų28.59%0.09116%0.159CC..  trans-81.3121.2175.3-156.6-28.4000107T320 T321 C431 D432D57-T320 CarbonylContact O-C 3.5Å; D57-T320 WeakPolarHBondContact O-CA 3.34Å; D57-T320 WeakPolarHBondContact O-CB 3.39Å; D57-T320 PolarHBondContact O-OG1 3.31Å; D57-T321 HydrophobicContact CB-CG2 3.98Å; D57-T321 WeakPolarHBondContact CB-OG1 3.39Å; D57-T321 PolarHBondContact N-OG1 2.91Å; D57-T321 PolarHBondContact O-N 3.09Å; D57-C431 HydrophobicContact CB-CB 4.08Å; D57-C431 VanDerWaalsContact OD2-CB 3.23Å; D57-C431 WeakPolarHBondContact OD2-CB 3.1Å; D57-D432 PolarHBondContact OD2-N 3.44Å
58G97.4Very high96.7Very high8 Ų826.3 Ų26.38%0.08215%0.147CC..EExtended strand (participates in β ladder)trans-103.5143.4-16900000112.4E37E37-G58 VanDerWaalsContact CB-O 3.25Å; E37-G58 WeakPolarHBondContact CB-O 3.37Å
59H95Very high97.1Very high32 Ų3219.6 Ų19.615%0.14811%0.113CC..EExtended strand (participates in β ladder)trans-144.2135179.364.4-95.4000113.2E37 G61 S318 G319 D393E37-H59 WeakPolarHBondContact OE1-CA 3.39Å; H59-G61 PolarHBondContact O-N 3.07Å; H59-S318 VanDerWaalsContact O-CA 3.3Å; H59-S318 WeakPolarHBondContact O-CA 3.45Å; H59-G319 PolarHBondContact N-O 3.1Å; H59-G319 PolarHBondContact O-N 3.24Å; H59-D393 IonicContact CD2-OD1 3.64Å; H59-D393 IonicContact CE1-OD1 2.61Å; H59-D393 IonicContact CE1-OD2 2.65Å; H59-D393 PolarHBondContact CE1-OD2 2.95Å; H59-D393 IonicContact NE2-OD1 2.77Å; H59-D393 PolarHBondContact NE2-OD1 2.83Å; H59-D393 IonicContact NE2-OD2 2.78Å; H59-D393 PolarHBondContact NE2-OD2 2.85Å
60G92.1Very high97.4Very high43 Ų4318.7 Ų18.744%0.44311%0.108SC..SBendtrans77.67.1-177.300000113.4E37 S318E37-G60 PolarHBondContact OE1-N 3.18Å; G60-S318 WeakPolarHBondContact O-CB 3.38Å
61G93.2Very high97.5Very high13 Ų1321.8 Ų21.813%0.13412%0.119CC..  trans150.7141-172.100000112.8E37 H59 E63E37-G61 PolarHBondContact OE1-N 2.76Å; H59-G61 PolarHBondContact O-N 3.07Å; G61-E63 VanDerWaalsContact CA-OE2 3.22Å; G61-E63 WeakPolarHBondContact CA-OE2 3.45Å; G61-E63 PolarHBondContact O-N 3.19Å
62E95.1Very high97.5Very high87 Ų8721.6 Ų21.641%0.40712%0.118SC..SBendtrans-74.4-15176.965.6-180131.800112.6E37 V64 A65 L66E37-E62 HydrophobicContact CG-CB 4.42Å; E62-V64 PolarHBondContact O-N 2.74Å; E62-A65 PolarHBondContact O-N 3.18Å; E62-L66 HydrophobicContact CB-CD1 4.32Å; E62-L66 HydrophobicContact CG-CD1 3.91Å; E62-L66 WeakPolarHBondContact O-CB 3.39Å; E62-L66 WeakPolarHBondContact O-CG 3.31Å; E62-L66 PolarHBondContact O-N 3.41Å; E62-L66 WeakPolarHBondContact OE2-CD1 3.39Å
63E96.9Very high97.5Very high4 Ų422.1 Ų22.12%0.01912%0.121CC..Hα-helixtrans-69.6-33.6-164.766.3-75.8173.100114.9G61 Y67 L111 I114 A115 P314 S318G61-E63 VanDerWaalsContact CA-OE2 3.22Å; G61-E63 WeakPolarHBondContact CA-OE2 3.45Å; G61-E63 PolarHBondContact O-N 3.19Å; E63-Y67 WeakPolarHBondContact O-CB 3.17Å; E63-Y67 PolarHBondContact O-N 3.16Å; E63-L111 HydrophobicContact CB-CB 4.45Å; E63-L111 HydrophobicContact CB-CD2 3.99Å; E63-L111 HydrophobicContact CG-CB 3.94Å; E63-L111 HydrophobicContact CG-CD2 3.88Å; E63-L111 HydrophobicContact CG-CG 4.48Å; E63-L111 WeakPolarHBondContact O-CD2 3.48Å; E63-I114 HydrophobicContact CB-CB 3.74Å; E63-I114 HydrophobicContact CB-CG2 3.62Å; E63-A115 HydrophobicContact CB-CB 4.22Å; E63-A115 HydrophobicContact CG-CB 4.1Å; E63-A115 WeakPolarHBondContact OE2-CB 3.36Å; E63-P314 HydrophobicContact CG-CB 4Å; E63-P314 WeakPolarHBondContact OE1-CB 3.48Å; E63-S318 WeakPolarHBondContact OE1-CB 3.22Å; E63-S318 PolarHBondContact OE1-OG 3.4Å
64V98.1Very high97.5Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-74-39.5178.6-168.70000110.6E62 Y67 C68 V102 L111 T320 I391E62-V64 PolarHBondContact O-N 2.74Å; V64-Y67 PolarHBondContact O-N 3.48Å; V64-C68 WeakPolarHBondContact O-CB 3.35Å; V64-C68 PolarHBondContact O-N 3.33Å; V64-C68 PolarHBondContact O-SG 2.87Å; V64-V102 HydrophobicContact CG1-CG2 4.4Å; V64-L111 HydrophobicContact CG2-CD2 4.47Å; V64-T320 HydrophobicContact CB-CG2 4.34Å; V64-T320 HydrophobicContact CG1-CG2 3.87Å; V64-I391 HydrophobicContact CG1-CG2 4.24Å
65A98.4Very high97.5Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-62.3-48.8173.200000111.3E37 A39 E62 C68 S69 T320E37-A65 WeakPolarHBondContact O-CB 3.46Å; A39-A65 HydrophobicContact CB-CB 3.9Å; A39-A65 WeakPolarHBondContact CB-O 3.25Å; E62-A65 PolarHBondContact O-N 3.18Å; A65-C68 PolarHBondContact O-N 2.87Å; A65-S69 WeakPolarHBondContact O-CB 3.12Å; A65-S69 PolarHBondContact O-N 2.95Å; A65-T320 WeakPolarHBondContact CB-OG1 3.18Å
66L98.3Very high97.5Very high39 Ų3926.2 Ų26.220%0.20414%0.143CC..Hα-helixtrans-61.8-44175.6-73.6179.5000112.2A39 E62 C68 S69 K70 I114A39-L66 HydrophobicContact CB-CD2 4.14Å; E62-L66 HydrophobicContact CB-CD1 4.32Å; E62-L66 HydrophobicContact CG-CD1 3.91Å; E62-L66 WeakPolarHBondContact O-CB 3.39Å; E62-L66 WeakPolarHBondContact O-CG 3.31Å; E62-L66 PolarHBondContact O-N 3.41Å; E62-L66 WeakPolarHBondContact OE2-CD1 3.39Å; L66-C68 PolarHBondContact O-N 3.04Å; L66-S69 PolarHBondContact O-N 2.97Å; L66-S69 PolarHBondContact O-OG 2.77Å; L66-K70 WeakPolarHBondContact O-CB 3.5Å; L66-K70 PolarHBondContact O-N 3.39Å; L66-I114 HydrophobicContact CB-CG2 4.02Å; L66-I114 HydrophobicContact CD1-CG2 3.55Å; L66-I114 HydrophobicContact CG-CG2 4.43Å
67Y98.6Very high97.4Very high9 Ų929.1 Ų29.14%0.03516%0.156CC..Hα-helixtrans-59.6-44.7175.1-177.9-88.5000111.8E63 V64 K70 Y71 I98 V107 L111E63-Y67 WeakPolarHBondContact O-CB 3.17Å; E63-Y67 PolarHBondContact O-N 3.16Å; V64-Y67 PolarHBondContact O-N 3.48Å; Y67-K70 PolarHBondContact O-N 3.17Å; Y67-Y71 HydrophobicContact CD1-CD2 4.21Å; Y67-Y71 AromaticContact CD2-CD2 3.4Å; Y67-Y71 HydrophobicContact CD2-CD2 3.4Å; Y67-Y71 AromaticContact CD2-CE2 3.49Å; Y67-Y71 HydrophobicContact CD2-CE2 3.49Å; Y67-Y71 VanDerWaalsContact CD2-CE2 3.49Å; Y67-Y71 HydrophobicContact CE1-CD2 4.07Å; Y67-Y71 AromaticContact CE2-CD2 3.22Å; Y67-Y71 HydrophobicContact CE2-CD2 3.22Å; Y67-Y71 AromaticContact CE2-CE2 3.29Å; Y67-Y71 HydrophobicContact CE2-CE2 3.29Å; Y67-Y71 HydrophobicContact CE2-CG 4.26Å; Y67-Y71 AromaticContact CG-CD2 3.87Å; Y67-Y71 HydrophobicContact CG-CD2 3.87Å; Y67-Y71 HydrophobicContact CG-CE2 4.37Å; Y67-Y71 AromaticContact CZ-CD2 3.57Å; Y67-Y71 WeakPolarHBondContact O-CD2 3.36Å; Y67-Y71 PolarHBondContact O-N 3.39Å; Y67-I98 HydrophobicContact CD1-CD1 4.13Å; Y67-I98 HydrophobicContact CD1-CG1 4.19Å; Y67-I98 HydrophobicContact CE1-CD1 3.96Å; Y67-I98 HydrophobicContact CE1-CG1 3.69Å; Y67-V107 HydrophobicContact CD2-CG1 4.06Å; Y67-V107 HydrophobicContact CE1-CG1 4.15Å; Y67-V107 HydrophobicContact CE2-CB 4.31Å; Y67-V107 HydrophobicContact CE2-CG1 3.46Å; Y67-V107 VanDerWaalsContact CE2-CG1 3.46Å; Y67-V107 HydrophobicContact CE2-CG2 4.03Å; Y67-V107 VanDerWaalsContact OH-CG2 3.26Å; Y67-V107 WeakPolarHBondContact OH-CG2 3.22Å; Y67-L111 HydrophobicContact CD2-CD2 4.2Å; Y67-L111 HydrophobicContact CG-CD2 4.03Å
68C98.7Very high97.4Very high0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-61-46.5174.4-70.20000111.7Y56 V64 A65 L66 K70 Y71 L72 I98 T320Y56-C68 HydrophobicContact CD1-CB 3.75Å; Y56-C68 HydrophobicContact CE1-CB 3.76Å; Y56-C68 HydrophobicContact CG-CB 4.22Å; V64-C68 WeakPolarHBondContact O-CB 3.35Å; V64-C68 PolarHBondContact O-N 3.33Å; V64-C68 PolarHBondContact O-SG 2.87Å; A65-C68 PolarHBondContact O-N 2.87Å; L66-C68 PolarHBondContact O-N 3.04Å; C68-K70 PolarHBondContact O-N 2.65Å; C68-Y71 PolarHBondContact O-N 2.83Å; C68-L72 WeakPolarHBondContact O-CB 3.33Å; C68-L72 PolarHBondContact O-N 3.27Å; C68-I98 HydrophobicContact CB-CD1 4.47Å; C68-T320 HydrophobicContact CB-CG2 4.44Å
69S98.4Very high97.5Very high26 Ų2634 Ų3418%0.18218%0.176CC..Hα-helixtrans-60.1-29177.485.20000113.7N41 Y56 A65 L66N41-S69 PolarHBondContact ND2-O 3.48Å; N41-S69 PolarHBondContact OD1-O 3.03Å; Y56-S69 VanDerWaalsContact CE2-CA 3.44Å; A65-S69 WeakPolarHBondContact O-CB 3.12Å; A65-S69 PolarHBondContact O-N 2.95Å; L66-S69 PolarHBondContact O-N 2.97Å; L66-S69 PolarHBondContact O-OG 2.77Å
70K98.3Very high97.6Very high110 Ų11039.7 Ų39.748%0.47820%0.2SC..Hα-helixtrans-84.6-43.6-179.6-176.3176.9175-172.30112.6L66 Y67 C68 E110L66-K70 WeakPolarHBondContact O-CB 3.5Å; L66-K70 PolarHBondContact O-N 3.39Å; Y67-K70 PolarHBondContact O-N 3.17Å; C68-K70 PolarHBondContact O-N 2.65Å; K70-E110 IonicContact NZ-OE1 3.55Å; K70-E110 PolarHBondContact NZ-OE1 3.31Å
71Y98.6Very high97.9Very high66 Ų6637.9 Ų37.926%0.25918%0.182SC..Hα-helixtrans-113.8-19-166.8-64.1-66.9000115.8Y67 C68 D74 T75 E110Y67-Y71 HydrophobicContact CD1-CD2 4.21Å; Y67-Y71 AromaticContact CD2-CD2 3.4Å; Y67-Y71 HydrophobicContact CD2-CD2 3.4Å; Y67-Y71 AromaticContact CD2-CE2 3.49Å; Y67-Y71 HydrophobicContact CD2-CE2 3.49Å; Y67-Y71 VanDerWaalsContact CD2-CE2 3.49Å; Y67-Y71 HydrophobicContact CE1-CD2 4.07Å; Y67-Y71 AromaticContact CE2-CD2 3.22Å; Y67-Y71 HydrophobicContact CE2-CD2 3.22Å; Y67-Y71 AromaticContact CE2-CE2 3.29Å; Y67-Y71 HydrophobicContact CE2-CE2 3.29Å; Y67-Y71 HydrophobicContact CE2-CG 4.26Å; Y67-Y71 AromaticContact CG-CD2 3.87Å; Y67-Y71 HydrophobicContact CG-CD2 3.87Å; Y67-Y71 HydrophobicContact CG-CE2 4.37Å; Y67-Y71 AromaticContact CZ-CD2 3.57Å; Y67-Y71 WeakPolarHBondContact O-CD2 3.36Å; Y67-Y71 PolarHBondContact O-N 3.39Å; C68-Y71 PolarHBondContact O-N 2.83Å; Y71-D74 PolarHBondContact O-N 3.36Å; Y71-T75 WeakPolarHBondContact O-CB 3.49Å; Y71-T75 PolarHBondContact O-N 3.39Å; Y71-T75 PolarHBondContact O-OG1 2.88Å; Y71-E110 WeakPolarHBondContact CE2-OE1 3.29Å; Y71-E110 WeakPolarHBondContact CE2-OE2 3.32Å; Y71-E110 VanDerWaalsContact OH-CD 3.23Å; Y71-E110 PolarHBondContact OH-OE1 2.83Å; Y71-E110 PolarHBondContact OH-OE2 3.26Å
72L98.6Very high98.1Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-62.1-39.5177.2-172.856.4000113.2M52 Y56 C68 D74 T75 I76 A94 F95 I98 V324M52-L72 HydrophobicContact CE-CG 4.48Å; Y56-L72 HydrophobicContact CE1-CD2 3.83Å; C68-L72 WeakPolarHBondContact O-CB 3.33Å; C68-L72 PolarHBondContact O-N 3.27Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.26Å; L72-T75 PolarHBondContact O-N 2.95Å; L72-I76 HydrophobicContact CD1-CD1 4.18Å; L72-I76 HydrophobicContact CD1-CG1 3.99Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 HydrophobicContact CG-CG1 4.22Å; L72-I76 VanDerWaalsContact O-CG1 3.31Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.27Å; L72-A94 HydrophobicContact CD1-CB 4.05Å; L72-F95 HydrophobicContact CD2-CD2 4.49Å; L72-F95 HydrophobicContact CD2-CE2 4.15Å; L72-I98 HydrophobicContact CB-CD1 3.81Å; L72-I98 HydrophobicContact CD1-CB 4.39Å; L72-I98 HydrophobicContact CD1-CD1 4.33Å; L72-I98 HydrophobicContact CD1-CG2 4.02Å; L72-V324 HydrophobicContact CD2-CG2 3.85Å
73P98.6Very high98.2Very high10 Ų1041 Ų417%0.06519%0.189CC..Hα-helixtrans-56.9-41.2177-26.334.9000113.7I43 L46 M52 K77I43-P73 HydrophobicContact CD1-CB 3.79Å; I43-P73 HydrophobicContact CD1-CG 3.59Å; L46-P73 HydrophobicContact CD1-CB 3.81Å; M52-P73 HydrophobicContact CE-CB 4.39Å; M52-P73 HydrophobicContact CE-CG 3.83Å; M52-P73 HydrophobicContact SD-CB 3.94Å; M52-P73 HydrophobicContact SD-CG 3.97Å; P73-K77 WeakPolarHBondContact O-CE 3.22Å
74D98.3Very high98.2Very high85 Ų8544.7 Ų44.746%0.45521%0.209SC..Hα-helixtrans-77.1-39.8175.8-76.1-30000111.8Y71 L72 I76 K77 E78Y71-D74 PolarHBondContact O-N 3.36Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.26Å; D74-I76 PolarHBondContact O-N 2.91Å; D74-K77 CarbonylContact O-C 3.52Å; D74-K77 PolarHBondContact O-N 2.9Å; D74-K77 WeakPolarHBondContact OD1-CE 3.35Å; D74-K77 IonicContact OD1-NZ 2.87Å; D74-K77 PolarHBondContact OD1-NZ 2.76Å; D74-E78 WeakPolarHBondContact O-CG 3.48Å; D74-E78 PolarHBondContact O-N 3.09Å
75T98.5Very high98.1Very high1 Ų146.8 Ų46.81%0.00623%0.231CC..Hα-helixtrans-58.2-35175.7-55.10000112.3Y71 L72 Q79 A94 A97 I98 R101Y71-T75 WeakPolarHBondContact O-CB 3.49Å; Y71-T75 PolarHBondContact O-N 3.39Å; Y71-T75 PolarHBondContact O-OG1 2.88Å; L72-T75 PolarHBondContact O-N 2.95Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-NE2 2.93Å; T75-A94 HydrophobicContact CG2-CB 4.32Å; T75-A97 HydrophobicContact CG2-CB 4.07Å; T75-I98 HydrophobicContact CG2-CB 4.32Å; T75-R101 PolarHBondContact OG1-NH1 2.68Å
76I98.6Very high98Very high0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-63.2-50.5171.9-72.9165.6000111M52 L72 D74 E78 Q79 Y82 L91 A94 V324 L326M52-I76 HydrophobicContact CE-CD1 3.92Å; M52-I76 HydrophobicContact SD-CD1 3.94Å; L72-I76 HydrophobicContact CD1-CD1 4.18Å; L72-I76 HydrophobicContact CD1-CG1 3.99Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 HydrophobicContact CG-CG1 4.22Å; L72-I76 VanDerWaalsContact O-CG1 3.31Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.27Å; D74-I76 PolarHBondContact O-N 2.91Å; I76-E78 PolarHBondContact O-N 3.23Å; I76-Q79 WeakPolarHBondContact O-CB 3.47Å; I76-Q79 PolarHBondContact O-N 2.83Å; I76-Q79 VanDerWaalsContact O-N 3.17Å; I76-Y82 HydrophobicContact CG2-CD2 3.43Å; I76-Y82 VanDerWaalsContact CG2-CD2 3.43Å; I76-Y82 HydrophobicContact CG2-CE2 3.47Å; I76-Y82 VanDerWaalsContact CG2-CE2 3.47Å; I76-Y82 HydrophobicContact CG2-CG 4.41Å; I76-Y82 VanDerWaalsContact O-CB 3.24Å; I76-Y82 WeakPolarHBondContact O-CB 3.42Å; I76-L91 HydrophobicContact CD1-CD2 3.73Å; I76-L91 HydrophobicContact CG1-CD2 4.18Å; I76-A94 HydrophobicContact CB-CB 4.31Å; I76-A94 HydrophobicContact CG1-CB 3.57Å; I76-V324 HydrophobicContact CD1-CG1 4.23Å; I76-L326 HydrophobicContact CG2-CD1 4.34Å
77K97.9Very high98Very high62 Ų6250.9 Ų50.927%0.2725%0.248SC..Hα-helixtrans-66.3-26.3179.3-70176.3-67.5-176.10113L46 P73 D74 Q79 Y82 K83L46-K77 HydrophobicContact CD1-CD 3.95Å; L46-K77 HydrophobicContact CD1-CG 4.37Å; L46-K77 HydrophobicContact CG-CD 4.02Å; L46-K77 HydrophobicContact CG-CG 4.25Å; L46-K77 WeakPolarHBondContact O-CD 3.18Å; P73-K77 WeakPolarHBondContact O-CE 3.22Å; D74-K77 CarbonylContact O-C 3.52Å; D74-K77 PolarHBondContact O-N 2.9Å; D74-K77 WeakPolarHBondContact OD1-CE 3.35Å; D74-K77 IonicContact OD1-NZ 2.87Å; D74-K77 PolarHBondContact OD1-NZ 2.76Å; K77-Q79 VanDerWaalsContact C-N 3.29Å; K77-Q79 PolarHBondContact O-N 3.05Å; K77-Y82 HydrophobicContact CG-CD1 4.42Å; K77-Y82 HydrophobicContact CG-CE1 3.94Å; K77-K83 WeakPolarHBondContact O-CE 3.32Å
78E97.9Very high98Very high98 Ų9855.3 Ų55.346%0.45827%0.269SS..Hα-helixtrans-66.8-29.2174.8-76.7178.9157.600112.6D74 I76 K83 R101D74-E78 WeakPolarHBondContact O-CG 3.48Å; D74-E78 PolarHBondContact O-N 3.09Å; I76-E78 PolarHBondContact O-N 3.23Å; E78-K83 PolarHBondContact O-NZ 2.98Å; E78-R101 IonicContact OE2-CZ 2.96Å; E78-R101 IonicContact OE2-NH1 3.88Å; E78-R101 PolarHBondContact OE2-NH1 3.28Å; E78-R101 IonicContact OE2-NH2 2.65Å; E78-R101 PolarHBondContact OE2-NH2 2.96Å
79Q98.4Very high98Very high30 Ų3059 Ų5914%0.1429%0.285CS..SBendtrans-61.7140.1-174.8-58.6-46.7-36.100113.3T75 I76 K77 A81 Y82 K83 A90 D93 A94T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-NE2 2.93Å; I76-Q79 WeakPolarHBondContact O-CB 3.47Å; I76-Q79 PolarHBondContact O-N 2.83Å; I76-Q79 VanDerWaalsContact O-N 3.17Å; K77-Q79 VanDerWaalsContact C-N 3.29Å; K77-Q79 PolarHBondContact O-N 3.05Å; Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 2.68Å; Q79-Y82 WeakPolarHBondContact O-CB 3.36Å; Q79-Y82 PolarHBondContact O-N 3.45Å; Q79-K83 PolarHBondContact O-N 2.75Å; Q79-A90 HydrophobicContact CB-CB 4.45Å; Q79-D93 HydrophobicContact CG-CB 4.03Å; Q79-A94 HydrophobicContact CG-CB 3.91Å
80K98.2Very high98Very high150 Ų15057.8 Ų57.865%0.65228%0.276SS*.Hα-helixtrans-60.4-40.9172.9-174.3-173.3171.7-1720110.8Y82 K83 D84K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 PolarHBondContact O-N 3.02Å; K80-K83 PolarHBondContact O-N 3.26Å; K80-D84 WeakPolarHBondContact O-CB 3.42Å; K80-D84 PolarHBondContact O-N 3.23Å
81A98.1Very high98Very high6 Ų652.5 Ų52.55%0.0525%0.253CS..Hα-helixtrans-57.9-36.8176.700000112.6Q79 D84 G85 K86 K89 A90Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 2.68Å; A81-D84 CarbonylContact O-C 3.57Å; A81-D84 PolarHBondContact O-N 2.87Å; A81-G85 PolarHBondContact O-N 3.38Å; A81-G85 VanDerWaalsContact O-N 3.14Å; A81-K86 HydrophobicContact CB-CB 4.25Å; A81-K86 WeakPolarHBondContact O-CA 3.49Å; A81-K86 PolarHBondContact O-N 3.32Å; A81-K89 HydrophobicContact CB-CB 4.03Å; A81-K89 HydrophobicContact CB-CG 4.13Å; A81-A90 HydrophobicContact CB-CB 3.94Å
82Y97.8Very high98Very high15 Ų1551.7 Ų51.76%0.05925%0.252CS..Hα-helixtrans-64.6-45.6177.1-164.6-90.4000111.8L46 D47 T50 I76 K77 Q79 K80 D84 G85 L87 A90 L326 R328L46-Y82 HydrophobicContact CD2-CE2 4.41Å; D47-Y82 VanDerWaalsContact OD2-CE1 3.29Å; D47-Y82 WeakPolarHBondContact OD2-CE1 3.28Å; D47-Y82 VanDerWaalsContact OD2-CZ 3.32Å; D47-Y82 PolarHBondContact OD2-OH 2.61Å; T50-Y82 PolarHBondContact OG1-OH 2.76Å; I76-Y82 HydrophobicContact CG2-CD2 3.43Å; I76-Y82 VanDerWaalsContact CG2-CD2 3.43Å; I76-Y82 HydrophobicContact CG2-CE2 3.47Å; I76-Y82 VanDerWaalsContact CG2-CE2 3.47Å; I76-Y82 HydrophobicContact CG2-CG 4.41Å; I76-Y82 VanDerWaalsContact O-CB 3.24Å; I76-Y82 WeakPolarHBondContact O-CB 3.42Å; K77-Y82 HydrophobicContact CG-CD1 4.42Å; K77-Y82 HydrophobicContact CG-CE1 3.94Å; Q79-Y82 WeakPolarHBondContact O-CB 3.36Å; Q79-Y82 PolarHBondContact O-N 3.45Å; K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 PolarHBondContact O-N 3.02Å; Y82-D84 VanDerWaalsContact C-N 3.33Å; Y82-G85 WeakPolarHBondContact O-CA 3.31Å; Y82-G85 PolarHBondContact O-N 2.63Å; Y82-L87 HydrophobicContact CD2-CD2 3.53Å; Y82-L87 HydrophobicContact CE2-CD2 3.53Å; Y82-L87 HydrophobicContact CG-CD2 4.28Å; Y82-A90 HydrophobicContact CD2-CB 4.07Å; Y82-A90 HydrophobicContact CG-CB 4.47Å; Y82-L326 HydrophobicContact CE2-CD1 4.31Å; Y82-R328 VanDerWaalsContact CE1-NH2 3.32Å; Y82-R328 PolarHBondContact OH-NH2 3.17Å; Y82-R328 VanDerWaalsContact OH-NH2 3.17Å
83K96.5Very high98Very high149 Ų14953.9 Ų53.965%0.64826%0.264SS*.Hα-helixtrans-66.7-33.3177.5-67156.7179.9160.40112.3K77 E78 Q79 K80 G85K77-K83 WeakPolarHBondContact O-CE 3.32Å; E78-K83 PolarHBondContact O-NZ 2.98Å; Q79-K83 PolarHBondContact O-N 2.75Å; K80-K83 PolarHBondContact O-N 3.26Å; K83-G85 PolarHBondContact O-N 3.06Å
84D97.1Very high98Very high82 Ų8253.4 Ų53.444%0.43926%0.261SS..THydrogen-bonded Turntrans-75.1-3.8170.4-78.98.8000113.1K80 A81 Y82 K86K80-D84 WeakPolarHBondContact O-CB 3.42Å; K80-D84 PolarHBondContact O-N 3.23Å; A81-D84 CarbonylContact O-C 3.57Å; A81-D84 PolarHBondContact O-N 2.87Å; Y82-D84 VanDerWaalsContact C-N 3.33Å; D84-K86 VanDerWaalsContact C-N 3.32Å; D84-K86 HydrophobicContact CB-CD 4.05Å; D84-K86 HydrophobicContact CB-CG 4.24Å; D84-K86 PolarHBondContact O-N 2.87Å; D84-K86 IonicContact OD2-NZ 2.87Å; D84-K86 PolarHBondContact OD2-NZ 3.45Å
85G95.4Very high98Very high44 Ų4449.4 Ų49.445%0.45424%0.239SC..THydrogen-bonded Turntrans78.35.5-178.300000115.8A81 Y82 K83 L87A81-G85 PolarHBondContact O-N 3.38Å; A81-G85 VanDerWaalsContact O-N 3.14Å; Y82-G85 WeakPolarHBondContact O-CA 3.31Å; Y82-G85 PolarHBondContact O-N 2.63Å; K83-G85 PolarHBondContact O-N 3.06Å; G85-L87 PolarHBondContact O-N 3.17Å; G85-L87 VanDerWaalsContact O-N 3.12Å
86K97.7Very high98Very high118 Ų11850.8 Ų50.851%0.51325%0.246SC..  trans-87.369.3-177-60.8167.4-172.4152.50110.6A81 D84 Q88 K89 A90A81-K86 HydrophobicContact CB-CB 4.25Å; A81-K86 WeakPolarHBondContact O-CA 3.49Å; A81-K86 PolarHBondContact O-N 3.32Å; D84-K86 VanDerWaalsContact C-N 3.32Å; D84-K86 HydrophobicContact CB-CD 4.05Å; D84-K86 HydrophobicContact CB-CG 4.24Å; D84-K86 PolarHBondContact O-N 2.87Å; D84-K86 IonicContact OD2-NZ 2.87Å; D84-K86 PolarHBondContact OD2-NZ 3.45Å; K86-Q88 VanDerWaalsContact C-N 3.3Å; K86-Q88 PolarHBondContact O-N 3.18Å; K86-K89 HydrophobicContact CB-CB 4.47Å; K86-K89 PolarHBondContact O-N 2.91Å; K86-A90 PolarHBondContact O-N 3.43Å
87L97.6Very high98Very high8 Ų852 Ų524%0.04226%0.256CS..Hα-helixtrans-59.2-32.3-169.1-66.4-177.7000115.1Y82 G85 A90 L91 L326 R328 I333Y82-L87 HydrophobicContact CD2-CD2 3.53Å; Y82-L87 HydrophobicContact CE2-CD2 3.53Å; Y82-L87 HydrophobicContact CG-CD2 4.28Å; G85-L87 PolarHBondContact O-N 3.17Å; G85-L87 VanDerWaalsContact O-N 3.12Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-L91 PolarHBondContact O-N 3.22Å; L87-L326 HydrophobicContact CD2-CD1 4.42Å; L87-R328 HydrophobicContact CD1-CB 3.86Å; L87-I333 HydrophobicContact CB-CD1 4.19Å; L87-I333 HydrophobicContact CB-CG1 4.29Å; L87-I333 HydrophobicContact CD1-CD1 3.74Å
88Q98.3Very high98Very high102 Ų10249 Ų4948%0.47724%0.243SC..Hα-helixtrans-60.8-57174.4-64.4167.5-80.600110.8K86 A90 L91 E92 I333 V415 V417K86-Q88 VanDerWaalsContact C-N 3.3Å; K86-Q88 PolarHBondContact O-N 3.18Å; Q88-A90 PolarHBondContact O-N 3.23Å; Q88-L91 PolarHBondContact O-N 3.43Å; Q88-E92 PolarHBondContact O-N 2.8Å; Q88-I333 HydrophobicContact CG-CG2 4.16Å; Q88-V415 HydrophobicContact CB-CG1 4.03Å; Q88-V415 HydrophobicContact CG-CG1 4.02Å; Q88-V417 HydrophobicContact CG-CG2 3.57Å
89K98.4Very high98Very high77 Ų7744.5 Ų44.534%0.33522%0.222SC..Hα-helixtrans-63.8-28.8180-170.250.2178.1147.80112.4A81 K86 L91 E92 D93A81-K89 HydrophobicContact CB-CB 4.03Å; A81-K89 HydrophobicContact CB-CG 4.13Å; K86-K89 HydrophobicContact CB-CB 4.47Å; K86-K89 PolarHBondContact O-N 2.91Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.88Å; K89-E92 HydrophobicContact CD-CB 4.15Å; K89-E92 VanDerWaalsContact CD-CD 3.49Å; K89-E92 HydrophobicContact CD-CG 4.44Å; K89-E92 WeakPolarHBondContact CD-OE2 3.21Å; K89-E92 VanDerWaalsContact CE-OE2 3.31Å; K89-E92 WeakPolarHBondContact CE-OE2 3.34Å; K89-E92 IonicContact NZ-OE2 3.35Å; K89-E92 PolarHBondContact NZ-OE2 2.91Å; K89-D93 WeakPolarHBondContact CD-OD1 3.37Å; K89-D93 WeakPolarHBondContact CE-OD1 3.32Å; K89-D93 IonicContact NZ-OD1 2.66Å; K89-D93 PolarHBondContact NZ-OD1 2.79Å; K89-D93 VanDerWaalsContact O-CB 3.26Å; K89-D93 WeakPolarHBondContact O-CB 3.34Å; K89-D93 PolarHBondContact O-N 2.88Å
90A98.6Very high97.9Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-65.6-29.4173.600000113.9Q79 A81 Y82 K86 L87 Q88 A94Q79-A90 HydrophobicContact CB-CB 4.45Å; A81-A90 HydrophobicContact CB-CB 3.94Å; Y82-A90 HydrophobicContact CD2-CB 4.07Å; Y82-A90 HydrophobicContact CG-CB 4.47Å; K86-A90 PolarHBondContact O-N 3.43Å; L87-A90 PolarHBondContact O-N 2.97Å; Q88-A90 PolarHBondContact O-N 3.23Å; A90-A94 WeakPolarHBondContact O-CB 3.44Å; A90-A94 PolarHBondContact O-N 2.86Å; A90-A94 VanDerWaalsContact O-N 3.17Å
91L98.7Very high97.9Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-78.1-46.8175.1-71.6163.4000110.7I76 L87 Q88 K89 D93 A94 F95 V324 L326 I333 A335I76-L91 HydrophobicContact CD1-CD2 3.73Å; I76-L91 HydrophobicContact CG1-CD2 4.18Å; L87-L91 PolarHBondContact O-N 3.22Å; Q88-L91 PolarHBondContact O-N 3.43Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.88Å; L91-D93 PolarHBondContact O-N 3.25Å; L91-A94 PolarHBondContact O-N 2.88Å; L91-F95 HydrophobicContact CD2-CE2 4.48Å; L91-F95 WeakPolarHBondContact O-CD2 3.37Å; L91-F95 PolarHBondContact O-N 2.72Å; L91-V324 HydrophobicContact CD2-CB 4.38Å; L91-V324 HydrophobicContact CD2-CG1 3.79Å; L91-L326 HydrophobicContact CD1-CD1 3.97Å; L91-L326 HydrophobicContact CD1-CG 4.18Å; L91-L326 HydrophobicContact CD2-CD1 3.92Å; L91-L326 HydrophobicContact CD2-CG 4.15Å; L91-L326 HydrophobicContact CG-CD1 4.01Å; L91-I333 HydrophobicContact CD1-CB 4.39Å; L91-I333 HydrophobicContact CD1-CG2 3.63Å; L91-A335 HydrophobicContact CB-CB 3.76Å; L91-A335 HydrophobicContact CD1-CB 3.8Å; L91-A335 HydrophobicContact CD2-CB 4.38Å; L91-A335 HydrophobicContact CG-CB 4.18Å
92E98.6Very high97.7Very high48 Ų4842.5 Ų42.522%0.22422%0.217CC..Hα-helixtrans-51.9-54.2171.6-61164.3-130.200111.5Q88 K89 A94 F95 L96 M412 V415Q88-E92 PolarHBondContact O-N 2.8Å; K89-E92 HydrophobicContact CD-CB 4.15Å; K89-E92 VanDerWaalsContact CD-CD 3.49Å; K89-E92 HydrophobicContact CD-CG 4.44Å; K89-E92 WeakPolarHBondContact CD-OE2 3.21Å; K89-E92 VanDerWaalsContact CE-OE2 3.31Å; K89-E92 WeakPolarHBondContact CE-OE2 3.34Å; K89-E92 IonicContact NZ-OE2 3.35Å; K89-E92 PolarHBondContact NZ-OE2 2.91Å; E92-A94 VanDerWaalsContact C-N 3.27Å; E92-A94 PolarHBondContact O-N 2.71Å; E92-F95 PolarHBondContact O-N 2.92Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.02Å; E92-M412 HydrophobicContact CB-SD 4.07Å; E92-M412 HydrophobicContact CG-SD 4.17Å; E92-V415 HydrophobicContact CG-CG2 4.05Å
93D98.6Very high97.5Very high47 Ų4745.3 Ų45.325%0.25124%0.236SC..Hα-helixtrans-63.6-32.6-178.3-67.5-11000111.6Q79 K89 L91 A97Q79-D93 HydrophobicContact CG-CB 4.03Å; K89-D93 WeakPolarHBondContact CD-OD1 3.37Å; K89-D93 WeakPolarHBondContact CE-OD1 3.32Å; K89-D93 IonicContact NZ-OD1 2.66Å; K89-D93 PolarHBondContact NZ-OD1 2.79Å; K89-D93 VanDerWaalsContact O-CB 3.26Å; K89-D93 WeakPolarHBondContact O-CB 3.34Å; K89-D93 PolarHBondContact O-N 2.88Å; L91-D93 PolarHBondContact O-N 3.25Å; D93-A97 WeakPolarHBondContact O-CB 3.42Å; D93-A97 PolarHBondContact O-N 2.93Å
94A98.7Very high97.4Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-76.9-37.4179.500000113.5L72 T75 I76 Q79 A90 L91 E92 A97 I98L72-A94 HydrophobicContact CD1-CB 4.05Å; T75-A94 HydrophobicContact CG2-CB 4.32Å; I76-A94 HydrophobicContact CB-CB 4.31Å; I76-A94 HydrophobicContact CG1-CB 3.57Å; Q79-A94 HydrophobicContact CG-CB 3.91Å; A90-A94 WeakPolarHBondContact O-CB 3.44Å; A90-A94 PolarHBondContact O-N 2.86Å; A90-A94 VanDerWaalsContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 2.88Å; E92-A94 VanDerWaalsContact C-N 3.27Å; E92-A94 PolarHBondContact O-N 2.71Å; A94-A97 PolarHBondContact O-N 3.21Å; A94-I98 WeakPolarHBondContact O-CG2 3.41Å; A94-I98 PolarHBondContact O-N 2.81Å
95F98.8Very high97.3Very high0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-64-50.3175.5-86.6-128.5000110.4L72 L91 E92 A97 I98 D99 A322 V324 A335 A337 I391 S411 P413L72-F95 HydrophobicContact CD2-CD2 4.49Å; L72-F95 HydrophobicContact CD2-CE2 4.15Å; L91-F95 HydrophobicContact CD2-CE2 4.48Å; L91-F95 WeakPolarHBondContact O-CD2 3.37Å; L91-F95 PolarHBondContact O-N 2.72Å; E92-F95 PolarHBondContact O-N 2.92Å; F95-A97 VanDerWaalsContact C-N 3.28Å; F95-A97 PolarHBondContact O-N 2.92Å; F95-I98 WeakPolarHBondContact O-CG2 3.48Å; F95-I98 PolarHBondContact O-N 2.9Å; F95-D99 VanDerWaalsContact O-CB 3.31Å; F95-D99 WeakPolarHBondContact O-CB 3.24Å; F95-D99 PolarHBondContact O-N 3.4Å; F95-A322 HydrophobicContact CD1-CB 4.48Å; F95-A322 HydrophobicContact CE1-CB 3.59Å; F95-A322 WeakPolarHBondContact CE1-O 3.37Å; F95-A322 HydrophobicContact CZ-CB 3.81Å; F95-A322 WeakPolarHBondContact CZ-O 3.48Å; F95-V324 HydrophobicContact CE2-CB 4.22Å; F95-V324 HydrophobicContact CE2-CG2 3.81Å; F95-V324 HydrophobicContact CZ-CB 4.22Å; F95-V324 HydrophobicContact CZ-CG2 3.7Å; F95-A335 HydrophobicContact CE2-CB 4.15Å; F95-A335 HydrophobicContact CZ-CB 4.13Å; F95-A337 HydrophobicContact CD1-CB 3.99Å; F95-A337 HydrophobicContact CE1-CB 3.84Å; F95-I391 HydrophobicContact CD1-CD1 4.16Å; F95-S411 WeakPolarHBondContact CB-O 3.4Å; F95-P413 HydrophobicContact CB-CG 4.01Å; F95-P413 HydrophobicContact CD1-CB 3.7Å; F95-P413 HydrophobicContact CD1-CG 3.73Å; F95-P413 HydrophobicContact CD2-CG 4.09Å; F95-P413 HydrophobicContact CE1-CB 3.69Å; F95-P413 HydrophobicContact CE1-CG 4.13Å; F95-P413 HydrophobicContact CE2-CG 4.46Å; F95-P413 HydrophobicContact CG-CB 4.19Å; F95-P413 HydrophobicContact CG-CG 3.69Å; F95-P413 HydrophobicContact CZ-CB 4.17Å; F95-P413 HydrophobicContact CZ-CG 4.47Å
96L98.4Very high97.3Very high31 Ų3147.6 Ų47.616%0.16224%0.238CC..Hα-helixtrans-61.1-36.8175-62.6-178.3000112.2E92 S100 P404 M412E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.02Å; L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.72Å; L96-S100 PolarHBondContact O-OG 3.29Å; L96-P404 HydrophobicContact CD2-CB 4.26Å; L96-M412 HydrophobicContact CD1-CE 3.82Å; L96-M412 HydrophobicContact CD2-CB 4.42Å; L96-M412 HydrophobicContact CG-CE 4.48Å
97A98.3Very high97.1Very high24 Ų2442.6 Ų42.620%0.19822%0.218CC..Hα-helixtrans-72.3-34.8179.300000113.7T75 D93 A94 F95 R101T75-A97 HydrophobicContact CG2-CB 4.07Å; D93-A97 WeakPolarHBondContact O-CB 3.42Å; D93-A97 PolarHBondContact O-N 2.93Å; A94-A97 PolarHBondContact O-N 3.21Å; F95-A97 VanDerWaalsContact C-N 3.28Å; F95-A97 PolarHBondContact O-N 2.92Å; A97-R101 VanDerWaalsContact O-CG 3.24Å; A97-R101 WeakPolarHBondContact O-CG 3.49Å; A97-R101 PolarHBondContact O-N 2.9Å
98I98.3Very high97Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-76.7-38.2175.7-161.9167.5000111.4Y67 C68 L72 T75 A94 F95 S100 R101 V102 I391Y67-I98 HydrophobicContact CD1-CD1 4.13Å; Y67-I98 HydrophobicContact CD1-CG1 4.19Å; Y67-I98 HydrophobicContact CE1-CD1 3.96Å; Y67-I98 HydrophobicContact CE1-CG1 3.69Å; C68-I98 HydrophobicContact CB-CD1 4.47Å; L72-I98 HydrophobicContact CB-CD1 3.81Å; L72-I98 HydrophobicContact CD1-CB 4.39Å; L72-I98 HydrophobicContact CD1-CD1 4.33Å; L72-I98 HydrophobicContact CD1-CG2 4.02Å; T75-I98 HydrophobicContact CG2-CB 4.32Å; A94-I98 WeakPolarHBondContact O-CG2 3.41Å; A94-I98 PolarHBondContact O-N 2.81Å; F95-I98 WeakPolarHBondContact O-CG2 3.48Å; F95-I98 PolarHBondContact O-N 2.9Å; I98-S100 PolarHBondContact O-N 3.45Å; I98-R101 WeakPolarHBondContact O-CA 3.04Å; I98-R101 WeakPolarHBondContact O-CB 3.48Å; I98-R101 PolarHBondContact O-N 3.09Å; I98-V102 PolarHBondContact O-N 2.92Å; I98-V102 VanDerWaalsContact O-N 3.11Å; I98-I391 HydrophobicContact CG2-CD1 3.79Å; I98-I391 HydrophobicContact CG2-CG1 4.37Å; I98-I391 HydrophobicContact CG2-CG2 4.13Å
99D98.4Very high96.8Very high3 Ų346.1 Ų46.12%0.01623%0.234CC..Hα-helixtrans-60.1-46.5173.3-163.157.4000110.8F95 R101 V102 I391 G392 H394 K397 S411F95-D99 VanDerWaalsContact O-CB 3.31Å; F95-D99 WeakPolarHBondContact O-CB 3.24Å; F95-D99 PolarHBondContact O-N 3.4Å; D99-R101 PolarHBondContact O-N 3.44Å; D99-V102 WeakPolarHBondContact O-CB 3.31Å; D99-V102 PolarHBondContact O-N 2.84Å; D99-V102 VanDerWaalsContact O-N 3.09Å; D99-I391 HydrophobicContact CB-CG2 4.27Å; D99-I391 VanDerWaalsContact OD1-CA 3.29Å; D99-I391 WeakPolarHBondContact OD1-CA 3.36Å; D99-G392 PolarHBondContact OD1-N 2.99Å; D99-H394 PolarHBondContact O-NE2 3.09Å; D99-H394 IonicContact OD1-NE2 3.7Å; D99-H394 IonicContact OD2-NE2 3.68Å; D99-H394 PolarHBondContact OD2-NE2 3.46Å; D99-K397 IonicContact OD1-NZ 2.93Å; D99-K397 PolarHBondContact OD1-NZ 3Å; D99-K397 IonicContact OD2-NZ 2.68Å; D99-K397 PolarHBondContact OD2-NZ 2.79Å; D99-S411 WeakPolarHBondContact CB-OG 3.4Å; D99-S411 WeakPolarHBondContact OD2-CB 3.18Å; D99-S411 PolarHBondContact OD2-OG 3.16Å
100S96.8Very high96.6Very high62 Ų6244.3 Ų44.343%0.43423%0.226SC..Hα-helixtrans-57.5-34.3172.6-58.90000113L96 I98 T103L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.72Å; L96-S100 PolarHBondContact O-OG 3.29Å; I98-S100 PolarHBondContact O-N 3.45Å; S100-T103 PolarHBondContact O-OG1 2.61Å
101R96.6Very high96.4Very high81 Ų8144.3 Ų44.331%0.30623%0.226SC..Hα-helixtrans-70-32.7177.7-74.3166.9-165.2-160.7-3.1112.7T75 E78 A97 I98 D99 T103 T104 V107T75-R101 PolarHBondContact OG1-NH1 2.68Å; E78-R101 IonicContact OE2-CZ 2.96Å; E78-R101 IonicContact OE2-NH1 3.88Å; E78-R101 PolarHBondContact OE2-NH1 3.28Å; E78-R101 IonicContact OE2-NH2 2.65Å; E78-R101 PolarHBondContact OE2-NH2 2.96Å; A97-R101 VanDerWaalsContact O-CG 3.24Å; A97-R101 WeakPolarHBondContact O-CG 3.49Å; A97-R101 PolarHBondContact O-N 2.9Å; I98-R101 WeakPolarHBondContact O-CA 3.04Å; I98-R101 WeakPolarHBondContact O-CB 3.48Å; I98-R101 PolarHBondContact O-N 3.09Å; D99-R101 PolarHBondContact O-N 3.44Å; R101-T103 PolarHBondContact O-N 2.93Å; R101-T103 VanDerWaalsContact O-N 3.09Å; R101-T104 PolarHBondContact O-N 2.88Å; R101-V107 HydrophobicContact CB-CG2 4.43Å; R101-V107 WeakPolarHBondContact O-CB 3.34Å; R101-V107 WeakPolarHBondContact O-CG1 3.19Å; R101-V107 WeakPolarHBondContact O-CG2 3.46Å
102V94.4Very high96.1Very high1 Ų146.6 Ų46.61%0.00624%0.24CC..Hα-helixtrans-54.3-31.7178.4170.70000111.8V64 I98 D99 I108 L111 I391V64-V102 HydrophobicContact CG1-CG2 4.4Å; I98-V102 PolarHBondContact O-N 2.92Å; I98-V102 VanDerWaalsContact O-N 3.11Å; D99-V102 WeakPolarHBondContact O-CB 3.31Å; D99-V102 PolarHBondContact O-N 2.84Å; D99-V102 VanDerWaalsContact O-N 3.09Å; V102-I108 WeakPolarHBondContact O-CG1 3.46Å; V102-L111 HydrophobicContact CG1-CD1 3.89Å; V102-I391 HydrophobicContact CG2-CG2 4.22Å
103T93.1Very high95.8Very high74 Ų7450.8 Ų50.845%0.45426%0.26SS..THydrogen-bonded Turntrans-81.4-4.9179.668.60000116.2S100 R101 H394S100-T103 PolarHBondContact O-OG1 2.61Å; R101-T103 PolarHBondContact O-N 2.93Å; R101-T103 VanDerWaalsContact O-N 3.09Å; T103-H394 HydrophobicContact CG2-CB 4.22Å; T103-H394 VanDerWaalsContact CG2-CG 3.48Å; T103-H394 WeakPolarHBondContact CG2-ND1 3.45Å
104T95.8Very high95.4Very high52 Ų5250.6 Ų50.632%0.31926%0.258SS..SBendtrans-84147.6-177.787.60000112.3R101 E106 V107 I108R101-T104 PolarHBondContact O-N 2.88Å; T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 WeakPolarHBondContact CB-OE2 3.34Å; T104-E106 PolarHBondContact O-N 2.87Å; T104-E106 PolarHBondContact OG1-OE2 3.48Å; T104-V107 PolarHBondContact O-N 3.15Å; T104-I108 WeakPolarHBondContact O-CG1 3.31Å; T104-I108 PolarHBondContact O-N 3.07Å
105E93.4Very high94.9Very high133 Ų13351.8 Ų51.862%0.62127%0.268SS*.Hα-helixtrans-54.2-38-177.5-83.9-166-129.500114V107 K109E105-V107 VanDerWaalsContact C-N 3.34Å; E105-K109 WeakPolarHBondContact O-CB 3.4Å; E105-K109 WeakPolarHBondContact O-CD 3.32Å; E105-K109 WeakPolarHBondContact O-CE 3.09Å; E105-K109 WeakPolarHBondContact O-CG 3.48Å; E105-K109 PolarHBondContact O-N 3.43Å; E105-K109 IonicContact OE2-NZ 3.96Å; E105-K109 PolarHBondContact OE2-NZ 3.02Å
106E95.2Very high93.9Very high139 Ų13954.8 Ų54.865%0.6530%0.299SS*.Hα-helixtrans-68.1-36.4178.7-53.190.416200111.9T104 E110T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 WeakPolarHBondContact CB-OE2 3.34Å; T104-E106 PolarHBondContact O-N 2.87Å; T104-E106 PolarHBondContact OG1-OE2 3.48Å; E106-E110 PolarHBondContact O-N 2.84Å
107V95.3Very high92.1Very high12 Ų1257.4 Ų57.47%0.07331%0.307CS..Hα-helixtrans-78.6-42.6-178.6174.60000111.1Y67 R101 T104 E105 K109 E110 L111Y67-V107 HydrophobicContact CD2-CG1 4.06Å; Y67-V107 HydrophobicContact CE1-CG1 4.15Å; Y67-V107 HydrophobicContact CE2-CB 4.31Å; Y67-V107 HydrophobicContact CE2-CG1 3.46Å; Y67-V107 VanDerWaalsContact CE2-CG1 3.46Å; Y67-V107 HydrophobicContact CE2-CG2 4.03Å; Y67-V107 VanDerWaalsContact OH-CG2 3.26Å; Y67-V107 WeakPolarHBondContact OH-CG2 3.22Å; R101-V107 HydrophobicContact CB-CG2 4.43Å; R101-V107 WeakPolarHBondContact O-CB 3.34Å; R101-V107 WeakPolarHBondContact O-CG1 3.19Å; R101-V107 WeakPolarHBondContact O-CG2 3.46Å; T104-V107 PolarHBondContact O-N 3.15Å; E105-V107 VanDerWaalsContact C-N 3.34Å; V107-K109 PolarHBondContact O-N 2.65Å; V107-E110 CarbonylContact O-C 3.59Å; V107-E110 WeakPolarHBondContact O-CA 3.1Å; V107-E110 WeakPolarHBondContact O-CB 3.37Å; V107-E110 PolarHBondContact O-N 2.82Å; V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 HydrophobicContact CG1-CG 4.1Å; V107-L111 WeakPolarHBondContact O-CG 3.24Å; V107-L111 PolarHBondContact O-N 3.24Å
108I93.9Very high89.7Confident70 Ų7061.9 Ų61.936%0.35933%0.334SS..Hα-helixtrans-55.6-42.5171.9-64.6168000110.1V102 T104 E110 L111 V112V102-I108 WeakPolarHBondContact O-CG1 3.46Å; T104-I108 WeakPolarHBondContact O-CG1 3.31Å; T104-I108 PolarHBondContact O-N 3.07Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.94Å; I108-L111 PolarHBondContact O-N 2.82Å; I108-V112 VanDerWaalsContact O-CG2 3.32Å; I108-V112 WeakPolarHBondContact O-CG2 3.42Å; I108-V112 PolarHBondContact O-N 3.19Å
109K93.9Very high87.1Confident114 Ų11469 Ų6950%0.49637%0.367SS..Hα-helixtrans-65.1-28.2175.4-70.7162.5-159.7165.50113E105 V107 Q113E105-K109 WeakPolarHBondContact O-CB 3.4Å; E105-K109 WeakPolarHBondContact O-CD 3.32Å; E105-K109 WeakPolarHBondContact O-CE 3.09Å; E105-K109 WeakPolarHBondContact O-CG 3.48Å; E105-K109 PolarHBondContact O-N 3.43Å; E105-K109 IonicContact OE2-NZ 3.96Å; E105-K109 PolarHBondContact OE2-NZ 3.02Å; V107-K109 PolarHBondContact O-N 2.65Å; K109-Q113 WeakPolarHBondContact O-CG 3.32Å; K109-Q113 PolarHBondContact O-NE2 3.38Å
110E95.4Very high84.4Confident40 Ų4077.6 Ų77.619%0.18741%0.407CS..Hα-helixtrans-78.9-42.9172-174.4173-179.400112.1K70 Y71 E106 V107 I108 V112 Q113 I114K70-E110 IonicContact NZ-OE1 3.55Å; K70-E110 PolarHBondContact NZ-OE1 3.31Å; Y71-E110 WeakPolarHBondContact CE2-OE1 3.29Å; Y71-E110 WeakPolarHBondContact CE2-OE2 3.32Å; Y71-E110 VanDerWaalsContact OH-CD 3.23Å; Y71-E110 PolarHBondContact OH-OE1 2.83Å; Y71-E110 PolarHBondContact OH-OE2 3.26Å; E106-E110 PolarHBondContact O-N 2.84Å; V107-E110 CarbonylContact O-C 3.59Å; V107-E110 WeakPolarHBondContact O-CA 3.1Å; V107-E110 WeakPolarHBondContact O-CB 3.37Å; V107-E110 PolarHBondContact O-N 2.82Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.94Å; E110-V112 VanDerWaalsContact C-N 3.34Å; E110-V112 PolarHBondContact O-N 2.91Å; E110-Q113 WeakPolarHBondContact O-CA 3.36Å; E110-Q113 WeakPolarHBondContact O-CB 3.26Å; E110-Q113 PolarHBondContact O-N 2.94Å; E110-I114 HydrophobicContact CG-CD1 3.92Å; E110-I114 HydrophobicContact CG-CG1 4.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 2.89Å
111L94.4Very high81.4Confident0 Ų081.4 Ų81.40%042%0.418CS..Hα-helixtrans-59.3-43.8177.9-68.6171.3000111.4E63 V64 Y67 V102 V107 I108 Q113 I114 A115 P314E63-L111 HydrophobicContact CB-CB 4.45Å; E63-L111 HydrophobicContact CB-CD2 3.99Å; E63-L111 HydrophobicContact CG-CB 3.94Å; E63-L111 HydrophobicContact CG-CD2 3.88Å; E63-L111 HydrophobicContact CG-CG 4.48Å; E63-L111 WeakPolarHBondContact O-CD2 3.48Å; V64-L111 HydrophobicContact CG2-CD2 4.47Å; Y67-L111 HydrophobicContact CD2-CD2 4.2Å; Y67-L111 HydrophobicContact CG-CD2 4.03Å; V102-L111 HydrophobicContact CG1-CD1 3.89Å; V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 HydrophobicContact CG1-CG 4.1Å; V107-L111 WeakPolarHBondContact O-CG 3.24Å; V107-L111 PolarHBondContact O-N 3.24Å; I108-L111 PolarHBondContact O-N 2.82Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 3.33Å; L111-I114 VanDerWaalsContact O-N 3.17Å; L111-A115 WeakPolarHBondContact O-CB 3.13Å; L111-A115 PolarHBondContact O-N 3.16Å; L111-P314 HydrophobicContact CB-CB 3.83Å
112V91.8Very high78.6Confident48 Ų4881.3 Ų81.329%0.29144%0.435SS..Hα-helixtrans-59.5-34.2173.1171.20000112.5I108 E110 R117 P314I108-V112 VanDerWaalsContact O-CG2 3.32Å; I108-V112 WeakPolarHBondContact O-CG2 3.42Å; I108-V112 PolarHBondContact O-N 3.19Å; E110-V112 VanDerWaalsContact C-N 3.34Å; E110-V112 PolarHBondContact O-N 2.91Å; V112-R117 HydrophobicContact CG1-CB 4.43Å; V112-P314 HydrophobicContact CG2-CG 3.96Å
113Q92.2Very high75.9Confident136 Ų13687.5 Ų87.564%0.63648%0.475SS*.Hα-helixtrans-74.5-37.4175.6-72.716963.700112.5K109 E110 L111 G116K109-Q113 WeakPolarHBondContact O-CG 3.32Å; K109-Q113 PolarHBondContact O-NE2 3.38Å; E110-Q113 WeakPolarHBondContact O-CA 3.36Å; E110-Q113 WeakPolarHBondContact O-CB 3.26Å; E110-Q113 PolarHBondContact O-N 2.94Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 2.86Å; Q113-G116 PolarHBondContact O-N 2.83Å
114I91.3Very high73.1Confident43 Ų4388 Ų8822%0.22148%0.475CS..Hα-helixtrans-68.1-43.2177.1-64.3166.5000110.1E63 L66 E110 L111 G116E63-I114 HydrophobicContact CB-CB 3.74Å; E63-I114 HydrophobicContact CB-CG2 3.62Å; L66-I114 HydrophobicContact CB-CG2 4.02Å; L66-I114 HydrophobicContact CD1-CG2 3.55Å; L66-I114 HydrophobicContact CG-CG2 4.43Å; E110-I114 HydrophobicContact CG-CD1 3.92Å; E110-I114 HydrophobicContact CG-CG1 4.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 2.89Å; L111-I114 PolarHBondContact O-N 3.33Å; L111-I114 VanDerWaalsContact O-N 3.17Å; I114-G116 PolarHBondContact O-N 2.89Å
115A87.1Confident70.4Confident24 Ų2494.6 Ų94.620%0.19850%0.502CS..THydrogen-bonded Turntrans-64.26.2177.700000114.8E63 L111 R117E63-A115 HydrophobicContact CB-CB 4.22Å; E63-A115 HydrophobicContact CG-CB 4.1Å; E63-A115 WeakPolarHBondContact OE2-CB 3.36Å; L111-A115 WeakPolarHBondContact O-CB 3.13Å; L111-A115 PolarHBondContact O-N 3.16Å; A115-R117 HydrophobicContact CB-CG 4.16Å; A115-R117 PolarHBondContact O-N 3.16Å
116G77.8Confident67.6Low64 Ų6496 Ų9666%0.6651%0.506SS*.THydrogen-bonded Turntrans64.65.9175.900000115.3Q113 I114Q113-G116 PolarHBondContact O-N 2.83Å; I114-G116 PolarHBondContact O-N 2.89Å
117R61.2Low65Low85 Ų8595.7 Ų95.732%0.32151%0.514SS..  trans-68.4129.5-176.6-60.9-174.1-174.2-142.5-8.5108.4V112 A115 Q119 E312V112-R117 HydrophobicContact CG1-CB 4.43Å; A115-R117 HydrophobicContact CB-CG 4.16Å; A115-R117 PolarHBondContact O-N 3.16Å; R117-Q119 PolarHBondContact O-N 3.33Å; R117-Q119 VanDerWaalsContact O-N 3.16Å; R117-E312 IonicContact CZ-OE2 3.64Å; R117-E312 PolarHBondContact NH1-O 3.34Å; R117-E312 IonicContact NH1-OE2 3.74Å; R117-E312 IonicContact NH2-OE2 2.72Å; R117-E312 PolarHBondContact NH2-OE2 3.49Å
118P47.4Very low62.3Low119 Ų11998 Ų9877%0.77353%0.534SS*.  trans-60.9125.5176.326.2-33000108.1E120P118-E120 PolarHBondContact O-N 2.72Å
119Q43.3Very low60Low148 Ų148103.1 Ų103.169%0.69256%0.556SS**  trans-63.4100.2172.7-174.4175.92200108R117 E121R117-Q119 PolarHBondContact O-N 3.33Å; R117-Q119 VanDerWaalsContact O-N 3.16Å; Q119-E121 PolarHBondContact O-N 2.99Å; Q119-E121 VanDerWaalsContact O-N 3.13Å
120E42.3Very low57.7Low184 Ų184106.4 Ų106.486%0.8657%0.574SS**  trans-55.4117.9150.9-68-160.215700105.4P118 A122P118-E120 PolarHBondContact O-N 2.72Å; E120-A122 PolarHBondContact O-N 3.33Å
121E33.8Very low55.5Low142 Ų142111.3 Ų111.366%0.66460%0.601SS**  trans-58.2106.9176.9-75.3-172.6-159.200107.2Q119 P123 N124Q119-E121 PolarHBondContact O-N 2.99Å; Q119-E121 VanDerWaalsContact O-N 3.13Å; E121-P123 VanDerWaalsContact O-N 3.1Å; E121-N124 PolarHBondContact OE2-ND2 3.25Å
122A38.1Very low53.4Low80 Ų80117.6 Ų117.666%0.66163%0.634SS**  trans-45.9123.1172.800000107.2E120 N124E120-A122 PolarHBondContact O-N 3.33Å; A122-N124 WeakPolarHBondContact O-CA 3.19Å; A122-N124 PolarHBondContact O-N 2.89Å
123P38Very low51.2Low130 Ų130122.7 Ų122.784%0.84466%0.659SS**  trans-50.5107.9-153.314.5-30.2000109.8E121 E125E121-P123 VanDerWaalsContact O-N 3.1Å; P123-E125 PolarHBondContact O-N 3.33Å
124N34.5Very low49.3Very low86 Ų86123.3 Ų123.346%0.4667%0.667SS.*  trans-55.5128.4-157.8-170.8-40000109.8E121 A122 K126E121-N124 PolarHBondContact OE2-ND2 3.25Å; A122-N124 WeakPolarHBondContact O-CA 3.19Å; A122-N124 PolarHBondContact O-N 2.89Å; N124-K126 WeakPolarHBondContact O-CA 3.49Å; N124-K126 WeakPolarHBondContact O-CB 3.39Å; N124-K126 PolarHBondContact O-N 3.37Å; N124-K126 PolarHBondContact OD1-N 2.98Å
125E39Very low47.6Very low190 Ų190125 Ų12589%0.88868%0.677SS**  trans-67.646171.6-78.5-163.9140.700112.5P123 V127P123-E125 PolarHBondContact O-N 3.33Å; E125-V127 PolarHBondContact O-N 2.82Å; E125-V127 VanDerWaalsContact O-N 3.08Å
126K33.4Very low46.2Very low161 Ų161130.8 Ų130.870%0.770%0.7SS**  -44.7107120.9-61.3172.5-171.7164.70107.3N124 A128N124-K126 WeakPolarHBondContact O-CA 3.49Å; N124-K126 WeakPolarHBondContact O-CB 3.39Å; N124-K126 PolarHBondContact O-N 3.37Å; N124-K126 PolarHBondContact OD1-N 2.98Å; K126-A128 PolarHBondContact O-N 2.93Å
127V40.3Very low45.5Very low134 Ų134134.4 Ų134.481%0.81270%0.699SS**  trans-59.184.8143.6-176.40000105.6E125E125-V127 PolarHBondContact O-N 2.82Å; E125-V127 VanDerWaalsContact O-N 3.08Å
128A38.8Very low45.7Very low59 Ų59132.9 Ų132.949%0.48871%0.705SS.*  trans-64.1139.1157.800000106.2K126 E130K126-A128 PolarHBondContact O-N 2.93Å; A128-E130 HydrophobicContact CB-CG 4.29Å; A128-E130 PolarHBondContact O-N 2.7Å
129E45.9Very low46.9Very low179 Ų179132.9 Ų132.984%0.83670%0.695SS**  trans-76.879.5173-67.2170141.600106.6D131E129-D131 PolarHBondContact O-N 2.82Å
130E46.4Very low48.3Very low183 Ų183130.6 Ų130.686%0.85569%0.687SS**THydrogen-bonded Turntrans-71.166.5174.8-68.5-168.6154.700110.5A128A128-E130 HydrophobicContact CB-CG 4.29Å; A128-E130 PolarHBondContact O-N 2.7Å
131D49.1Very low49.6Very low143 Ų143127.1 Ų127.177%0.76567%0.673SS**THydrogen-bonded Turntrans-139-4.2179.6-106.1-34.4000113.3E129E129-D131 PolarHBondContact O-N 2.82Å
132D49.2Very low51.7Low131 Ų131126.6 Ų126.670%0.70167%0.671SS**SBendtrans-108.6-23.8-172.7-90-26.1000116
133L46.4Very low53.5Low156 Ų156127.6 Ų127.682%0.81766%0.662SS**Hα-helixtrans-90.3-38.3-171.2-68.9-178000114.8N135L133-N135 PolarHBondContact O-N 2.91Å
134D50.9Low55.4Low148 Ų148124 Ų12479%0.79163%0.634SS**Hα-helixtrans-71.9-21.2175-74.8-3.4000111.8A138D134-A138 WeakPolarHBondContact O-CB 3.34Å; D134-A138 PolarHBondContact O-N 2.76Å; D134-A138 VanDerWaalsContact O-N 3.07Å
135N56Low57.4Low79 Ų79123.9 Ų123.942%0.42265%0.645SS.*Hα-helixtrans-73.8-39.3-176.3-167.670.4000113.1L133 A138 E139L133-N135 PolarHBondContact O-N 2.91Å; N135-A138 PolarHBondContact O-N 3.02Å; N135-E139 VanDerWaalsContact ND2-CD 3.31Å; N135-E139 PolarHBondContact ND2-OE1 3.22Å; N135-E139 VanDerWaalsContact O-CB 3.27Å; N135-E139 WeakPolarHBondContact O-CB 3.46Å; N135-E139 WeakPolarHBondContact O-CG 3.32Å; N135-E139 PolarHBondContact O-N 3.09Å
136E58.3Low59.4Low146 Ų146119.4 Ų119.468%0.68263%0.63SS**Hα-helixtrans-65.7-40.8178-74.7-160.7156.800112.4L140E136-L140 WeakPolarHBondContact O-CB 3.33Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 2.89Å
137E63.4Low61.7Low139 Ų139113.8 Ų113.865%0.6561%0.607SS**Hα-helixtrans-72-38.7177.2-172.1163.3-177.100111.8L140 L141E137-L140 PolarHBondContact O-N 3.1Å; E137-L141 HydrophobicContact CG-CD1 4.13Å; E137-L141 WeakPolarHBondContact O-CB 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.26Å; E137-L141 PolarHBondContact O-N 3.02Å
138A64.1Low63.7Low54 Ų54110.9 Ų110.945%0.44659%0.59SS.*Hα-helixtrans-65.4-39.4173.700000112.9D134 N135 L141 H142D134-A138 WeakPolarHBondContact O-CB 3.34Å; D134-A138 PolarHBondContact O-N 2.76Å; D134-A138 VanDerWaalsContact O-N 3.07Å; N135-A138 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.11Å; A138-H142 VanDerWaalsContact O-CB 3.27Å; A138-H142 WeakPolarHBondContact O-CB 3.35Å; A138-H142 PolarHBondContact O-N 2.76Å
139E72.6Confident65.4Low119 Ų119114.4 Ų114.456%0.55660%0.6SS**Hα-helixtrans-66.4-41.5174.5-80-172.4-171.800111.6N135 H142 E143N135-E139 VanDerWaalsContact ND2-CD 3.31Å; N135-E139 PolarHBondContact ND2-OE1 3.22Å; N135-E139 VanDerWaalsContact O-CB 3.27Å; N135-E139 WeakPolarHBondContact O-CB 3.46Å; N135-E139 WeakPolarHBondContact O-CG 3.32Å; N135-E139 PolarHBondContact O-N 3.09Å; E139-H142 PolarHBondContact O-N 2.88Å; E139-E143 WeakPolarHBondContact O-CB 3.36Å; E139-E143 PolarHBondContact O-N 3.17Å
140L73.3Confident66.9Low100 Ų100113.4 Ų113.452%0.52460%0.595SS.*Hα-helixtrans-63.5-42175.3-75.3168.4000112.2E136 E137 E144E136-L140 WeakPolarHBondContact O-CB 3.33Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 2.89Å; E137-L140 PolarHBondContact O-N 3.1Å; L140-E144 WeakPolarHBondContact O-CB 3.33Å; L140-E144 PolarHBondContact O-N 3.1Å
141L70.9Confident68.4Low110 Ų110109.4 Ų109.458%0.57658%0.576SS**Hα-helixtrans-66.7-37.3174.2-77.5165.8000112.1E137 A138 A145E137-L141 HydrophobicContact CG-CD1 4.13Å; E137-L141 WeakPolarHBondContact O-CB 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.26Å; E137-L141 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.11Å; L141-A145 VanDerWaalsContact O-CB 3.28Å; L141-A145 WeakPolarHBondContact O-CB 3.47Å; L141-A145 PolarHBondContact O-N 2.95Å
142H77.2Confident69.5Low132 Ų132105 Ų10561%0.61155%0.552SS**Hα-helixtrans-70.1-45176.6-169.277.1000111.9A138 E139 E144 A145 T146A138-H142 VanDerWaalsContact O-CB 3.27Å; A138-H142 WeakPolarHBondContact O-CB 3.35Å; A138-H142 PolarHBondContact O-N 2.76Å; E139-H142 PolarHBondContact O-N 2.88Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.37Å; H142-A145 PolarHBondContact O-N 3.48Å; H142-T146 WeakPolarHBondContact O-CG2 3.45Å; H142-T146 PolarHBondContact O-N 3.31Å; H142-T146 VanDerWaalsContact O-N 3.09Å
143E76.2Confident70.7Confident101 Ų101104.3 Ų104.347%0.47255%0.548SS..Hα-helixtrans-55.9-50.1173.9-169.8-164.9-115.600109.6E139 A145 T146 L147 R155E139-E143 WeakPolarHBondContact O-CB 3.36Å; E139-E143 PolarHBondContact O-N 3.17Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 2.9Å; E143-T146 PolarHBondContact O-N 3.23Å; E143-T146 PolarHBondContact O-OG1 2.85Å; E143-L147 PolarHBondContact O-N 2.87Å; E143-R155 IonicContact OE2-CZ 3.68Å; E143-R155 IonicContact OE2-NH1 2.79Å; E143-R155 PolarHBondContact OE2-NH1 2.95Å; E143-R155 IonicContact OE2-NH2 3.59Å
144E78.1Confident72.3Confident55 Ų55101.5 Ų101.526%0.25754%0.537SS..Hα-helixtrans-61.7-38.9178.9-169.4159.3138.400113.2L140 H142 T146 L147 L152 R155 Y156L140-E144 WeakPolarHBondContact O-CB 3.33Å; L140-E144 PolarHBondContact O-N 3.1Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.37Å; E144-T146 PolarHBondContact O-N 3.45Å; E144-L147 PolarHBondContact O-N 3Å; E144-L152 HydrophobicContact CG-CD2 3.52Å; E144-R155 IonicContact OE2-CZ 3.86Å; E144-R155 IonicContact OE2-NE 3.43Å; E144-R155 PolarHBondContact OE2-NE 3.18Å; E144-R155 IonicContact OE2-NH2 3.68Å; E144-Y156 VanDerWaalsContact CD-CE2 3.45Å; E144-Y156 HydrophobicContact CG-CE2 4.5Å; E144-Y156 WeakPolarHBondContact OE1-CE2 3.47Å; E144-Y156 PolarHBondContact OE1-OH 3.04Å; E144-Y156 VanDerWaalsContact OE2-CE2 3.29Å; E144-Y156 WeakPolarHBondContact OE2-CE2 3.36Å; E144-Y156 VanDerWaalsContact OE2-CZ 3.31Å; E144-Y156 PolarHBondContact OE2-OH 3Å
145A75.8Confident73.5Confident83 Ų8399.5 Ų99.569%0.68652%0.518SS*.Hα-helixtrans-68.3-16.6174.700000114.1L141 H142 E143L141-A145 VanDerWaalsContact O-CB 3.28Å; L141-A145 WeakPolarHBondContact O-CB 3.47Å; L141-A145 PolarHBondContact O-N 2.95Å; H142-A145 PolarHBondContact O-N 3.48Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 2.9Å
146T80.9Confident74.3Confident95 Ų95101.9 Ų101.958%0.58352%0.522SS*.Hα-helixtrans-93-12174.3630000114.5H142 E143 E144H142-T146 WeakPolarHBondContact O-CG2 3.45Å; H142-T146 PolarHBondContact O-N 3.31Å; H142-T146 VanDerWaalsContact O-N 3.09Å; E143-T146 PolarHBondContact O-N 3.23Å; E143-T146 PolarHBondContact O-OG1 2.85Å; E144-T146 PolarHBondContact O-N 3.45Å
147L82.6Confident74.5Confident43 Ų4396.5 Ų96.523%0.22551%0.506CS..SBendtrans-69.7146.3176.8-67.4178000111.8E143 E144 E151 L152E143-L147 PolarHBondContact O-N 2.87Å; E144-L147 PolarHBondContact O-N 3Å; L147-E151 HydrophobicContact CB-CB 4.26Å; L147-E151 HydrophobicContact CD2-CB 4.3Å; L147-L152 HydrophobicContact CB-CD2 4.08Å; L147-L152 HydrophobicContact CB-CG 3.91Å; L147-L152 HydrophobicContact CD1-CD2 4.1Å
148T82.4Confident74.3Confident73 Ų7396.9 Ų96.945%0.44851%0.508SS..  trans-70.5157.8171.965.90000111.3E150 E151 L152T148-E150 PolarHBondContact O-N 2.9Å; T148-E150 VanDerWaalsContact O-N 3.13Å; T148-E151 VanDerWaalsContact CB-OE2 3.28Å; T148-E151 WeakPolarHBondContact CB-OE2 3.07Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.4Å; T148-E151 PolarHBondContact N-OE2 3.05Å; T148-E151 PolarHBondContact O-N 2.76Å; T148-E151 VanDerWaalsContact OG1-CD 3.3Å; T148-E151 WeakPolarHBondContact OG1-CG 3.4Å; T148-E151 PolarHBondContact OG1-N 3.2Å; T148-E151 PolarHBondContact OG1-OE2 2.99Å; T148-L152 WeakPolarHBondContact O-CG 3.16Å; T148-L152 PolarHBondContact O-N 3.26Å
149I74.1Confident73.9Confident134 Ų13499.3 Ų99.369%0.68752%0.521SS*.Hα-helixtrans-54.4-33.1174.2-69.4172.2000111.6L153I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 VanDerWaalsContact O-CB 3.32Å; I149-L153 WeakPolarHBondContact O-CB 3.15Å; I149-L153 WeakPolarHBondContact O-CD1 3.39Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 2.89Å
150E76.9Confident72.6Confident158 Ų158104.5 Ų104.574%0.73854%0.536SS*.Hα-helixtrans-70.8-38178.1-60.8-175.617100112T148 V154T148-E150 PolarHBondContact O-N 2.9Å; T148-E150 VanDerWaalsContact O-N 3.13Å; E150-V154 WeakPolarHBondContact O-CG2 3.42Å; E150-V154 PolarHBondContact O-N 3.01Å
151E77.8Confident71.3Confident99 Ų99105.9 Ų105.946%0.46354%0.544SS..Hα-helixtrans-73.7-40.2176.4-70158.6136.600112.2L147 T148 L153 V154 R155L147-E151 HydrophobicContact CB-CB 4.26Å; L147-E151 HydrophobicContact CD2-CB 4.3Å; T148-E151 VanDerWaalsContact CB-OE2 3.28Å; T148-E151 WeakPolarHBondContact CB-OE2 3.07Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.4Å; T148-E151 PolarHBondContact N-OE2 3.05Å; T148-E151 PolarHBondContact O-N 2.76Å; T148-E151 VanDerWaalsContact OG1-CD 3.3Å; T148-E151 WeakPolarHBondContact OG1-CG 3.4Å; T148-E151 PolarHBondContact OG1-N 3.2Å; T148-E151 PolarHBondContact OG1-OE2 2.99Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.15Å; E151-V154 CarbonylContact O-C 3.48Å; E151-V154 WeakPolarHBondContact O-CA 3.43Å; E151-V154 WeakPolarHBondContact O-CB 3.37Å; E151-V154 PolarHBondContact O-N 3.27Å; E151-R155 PolarHBondContact O-N 2.81Å
152L72.4Confident70Confident50 Ų50105 Ų10526%0.26255%0.552SS.*Hα-helixtrans-59.4-41171.3-70.9168.1000111.6E144 L147 T148 V154 R155 Y156E144-L152 HydrophobicContact CG-CD2 3.52Å; L147-L152 HydrophobicContact CB-CD2 4.08Å; L147-L152 HydrophobicContact CB-CG 3.91Å; L147-L152 HydrophobicContact CD1-CD2 4.1Å; T148-L152 WeakPolarHBondContact O-CG 3.16Å; T148-L152 PolarHBondContact O-N 3.26Å; L152-V154 PolarHBondContact O-N 3.17Å; L152-R155 PolarHBondContact O-N 3.15Å; L152-Y156 HydrophobicContact CD2-CE2 4.46Å; L152-Y156 PolarHBondContact O-N 3.34Å
153L74.1Confident68.5Low117 Ų117106.6 Ų106.661%0.61357%0.565SS**Hα-helixtrans-66.1-22173.5-76.5168.6000113.2I149 E151 G157I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 VanDerWaalsContact O-CB 3.32Å; I149-L153 WeakPolarHBondContact O-CB 3.15Å; I149-L153 WeakPolarHBondContact O-CD1 3.39Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 2.89Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.15Å; L153-G157 WeakPolarHBondContact O-CA 3.29Å; L153-G157 PolarHBondContact O-N 3.08Å
154V80.4Confident66.7Low97 Ų97110.3 Ų110.359%0.58858%0.579SS**Hα-helixtrans-84.2-41.5170.9172.90000111.9E150 E151 L152E150-V154 WeakPolarHBondContact O-CG2 3.42Å; E150-V154 PolarHBondContact O-N 3.01Å; E151-V154 CarbonylContact O-C 3.48Å; E151-V154 WeakPolarHBondContact O-CA 3.43Å; E151-V154 WeakPolarHBondContact O-CB 3.37Å; E151-V154 PolarHBondContact O-N 3.27Å; L152-V154 PolarHBondContact O-N 3.17Å
155R75.8Confident64.4Low106 Ų106115.2 Ų115.240%0.461%0.607SS.*Hα-helixtrans-62.4-42.2178.3-167.7166.2170142.4-9.9111.2E143 E144 E151 L152E143-R155 IonicContact OE2-CZ 3.68Å; E143-R155 IonicContact OE2-NH1 2.79Å; E143-R155 PolarHBondContact OE2-NH1 2.95Å; E143-R155 IonicContact OE2-NH2 3.59Å; E144-R155 IonicContact OE2-CZ 3.86Å; E144-R155 IonicContact OE2-NE 3.43Å; E144-R155 PolarHBondContact OE2-NE 3.18Å; E144-R155 IonicContact OE2-NH2 3.68Å; E151-R155 PolarHBondContact O-N 2.81Å; L152-R155 PolarHBondContact O-N 3.15Å
156Y72.8Confident62.2Low129 Ų129121.2 Ų121.251%0.50662%0.618SS.*Hα-helixtrans-112.2-20.3-175.8-66.3-72.6000116.1E144 L152 Q158E144-Y156 VanDerWaalsContact CD-CE2 3.45Å; E144-Y156 HydrophobicContact CG-CE2 4.5Å; E144-Y156 WeakPolarHBondContact OE1-CE2 3.47Å; E144-Y156 PolarHBondContact OE1-OH 3.04Å; E144-Y156 VanDerWaalsContact OE2-CE2 3.29Å; E144-Y156 WeakPolarHBondContact OE2-CE2 3.36Å; E144-Y156 VanDerWaalsContact OE2-CZ 3.31Å; E144-Y156 PolarHBondContact OE2-OH 3Å; L152-Y156 HydrophobicContact CD2-CE2 4.46Å; L152-Y156 PolarHBondContact O-N 3.34Å; Y156-Q158 VanDerWaalsContact C-N 3.25Å; Y156-Q158 PolarHBondContact O-N 3.18Å; Y156-Q158 VanDerWaalsContact O-N 3.16Å
157G62.6Low59.8Low33 Ų33125.4 Ų125.434%0.3463%0.628SS.*G310 helixtrans-70-12.3-17300000116L153 S159 R160L153-G157 WeakPolarHBondContact O-CA 3.29Å; L153-G157 PolarHBondContact O-N 3.08Å; G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.81Å; G157-R160 PolarHBondContact O-N 3.37Å
158Q60.2Low57.2Low147 Ų147130.5 Ų130.569%0.68766%0.655SS**G310 helixtrans-66.8-26.6-178.7-58.1-164.325.100112.9Y156 R160 N161Y156-Q158 VanDerWaalsContact C-N 3.25Å; Y156-Q158 PolarHBondContact O-N 3.18Å; Y156-Q158 VanDerWaalsContact O-N 3.16Å; Q158-R160 PolarHBondContact O-N 3.15Å; Q158-R160 VanDerWaalsContact O-N 3.09Å; Q158-N161 PolarHBondContact O-N 2.56Å
159S54.9Low54.5Low104 Ų104132 Ų13273%0.72767%0.667SS**G310 helixtrans-71.71.8-178.9-680000115.5G157G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.81Å
160R46.2Very low53Low229 Ų229130.9 Ų130.986%0.86467%0.668SS**G310 helixtrans-94.7-8.8169.8-77.718064131.3-4.9115G157 Q158G157-R160 PolarHBondContact O-N 3.37Å; Q158-R160 PolarHBondContact O-N 3.15Å; Q158-R160 VanDerWaalsContact O-N 3.09Å
161N44.6Very low50.7Low129 Ų129131.9 Ų131.969%0.6967%0.673SS**THydrogen-bonded Turntrans-101-16.1178.6-74.2-37.8000114.3Q158 L163 K164Q158-N161 PolarHBondContact O-N 2.56Å; N161-L163 PolarHBondContact O-N 3.27Å; N161-K164 PolarHBondContact O-N 3.2Å
162A43.2Very low48.4Very low91 Ų91133.6 Ų133.675%0.75269%0.685SS**THydrogen-bonded Turntrans-63.8-20.7-179.100000114.6
163L45.5Very low46.3Very low166 Ų166136.7 Ų136.787%0.86970%0.702SS**THydrogen-bonded Turntrans-93.82.6179-86.4163.3000114.8N161N161-L163 PolarHBondContact O-N 3.27Å
164K38.4Very low44.3Very low179 Ų179138.3 Ų138.378%0.77870%0.704SS**SBendtrans-13756.7178-74.3-168177-178.90114.2N161N161-K164 PolarHBondContact O-N 3.2Å
165N30.7Very low41.9Very low158 Ų158140.7 Ų140.785%0.84571%0.709SS**  trans-172.7103140-103.4-43.1000114
166K30.8Very low39.6Very low208 Ų208141 Ų14190%0.90473%0.728SS**  trans-134.959159.6-155.2174.1-175.8177.70112.8
167K28.6Very low37.4Very low184 Ų184138.7 Ų138.780%0.874%0.742SS**  trans55.899.4144.2-152.6176.9-173.2-179.70118.4
168L28.2Very low35.8Very low150 Ų150146.7 Ų146.779%0.78577%0.771SS**  20.4141.4119.6-59171.7000117.6
169C25.5Very low34.2Very low105 Ų105143.5 Ų143.571%0.70978%0.777SS**  cis176.8-168.7-4.3-114.40000106.9
170P44.3Very low33.1Very low110 Ų110147.5 Ų147.571%0.71479%0.785SS**  cis-111.9-151-9.925.4-0.2000109.3
171E27.3Very low33.1Very low178 Ų178141.5 Ų141.583%0.83278%0.775SS**  cis-140.8167.24.4-56173.4143.100107.1
172D30.2Very low32.4Very low135 Ų135143.5 Ų143.572%0.72278%0.78SS**  cis-150.1176.23-16319.9000112.1
173N28.9Very low31.6Very low116 Ų116143.4 Ų143.462%0.6277%0.774SS**  trans12.3132.5155.5-85.2-62.6000124.2
174K31.3Very low30.6Very low150 Ų150146.6 Ų146.665%0.65278%0.776SS**  trans91.3125134-79.7172.1158.8-81.20122
175E29.3Very low30.3Very low148 Ų148141.6 Ų141.669%0.69278%0.775SS**  trans47.3147130.7-65.8161.2154.900120.9
176S27.7Very low30.1Very low113 Ų113141.4 Ų141.479%0.7977%0.769SS**  cis176.6149.7-21.653.40000107.6
177G28Very low30Very low79 Ų79139.6 Ų139.681%0.81476%0.761SS**  trans128.8148.7157.600000116.9
178E28.1Very low30Very low202 Ų202134.1 Ų134.194%0.94476%0.757SS**  trans-84.9165.1-178.6-57.3144162.600111.8
179G27.3Very low30.2Very low79 Ų79133.9 Ų133.981%0.81476%0.755SS**  trans144.1109.1155.100000117.9
180E30.5Very low30.4Very low189 Ų189136.3 Ų136.388%0.88376%0.761SS**  trans-83178.9141.5-51.3-170.4124.100108.7
181P47.2Very low29.6Very low103 Ų103134.1 Ų134.167%0.66976%0.758SS**  cis-139.9-1731.542.4-23.5000116.1
182H29.1Very low29.8Very low171 Ų171134.3 Ų134.379%0.79276%0.759SS**  trans66.3114.9146.5-81.6-59000123
183S26.1Very low30Very low88 Ų88133.7 Ų133.762%0.61576%0.76SS**  97.6149.4114.879.80000122
184Y25.9Very low30.1Very low234 Ų234137.1 Ų137.192%0.91877%0.772SS**  trans52.3144.5164.3-56.9-68.7000119.3
185G30.5Very low30.1Very low73 Ų73133.5 Ų133.575%0.75378%0.777SS**  trans-147.6170.4-177.800000114.3
186E28.3Very low30.2Very low154 Ų154135.3 Ų135.372%0.7279%0.786SS**  trans-159.6146.9174.1-93.7-147.411900112.8
187K28.5Very low30.3Very low171 Ų171138.1 Ų138.174%0.74379%0.788SS**  trans65.4150145.4-68.7166.8177.8142.50122.3
188G27.3Very low30.5Very low69 Ų69141.6 Ų141.671%0.71179%0.788SS**  trans114.8103.6169.700000112.9
189I32Very low30.8Very low144 Ų144138.1 Ų138.174%0.73879%0.786SS**  cis91.1124.523.2-57.3177.5000115.1
190N30.3Very low30.9Very low156 Ų156141.8 Ų141.883%0.83479%0.787SS**  trans70.8143.3178.4-58.4-10.9000116.6
191G28.3Very low30.8Very low64 Ų64136.3 Ų136.366%0.6678%0.781SS**  cis-151.1158.9-3.500000110.1
192E31.2Very low29.9Very low183 Ų183140.9 Ų140.986%0.85579%0.791SS**  65.7135.866.8-74.1-164.415900114.2
193V34.2Very low29.9Very low122 Ų122137.3 Ų137.374%0.73979%0.791SS**  cis-163.4165.4-13.297.80000111.8
194E31.4Very low30.2Very low188 Ų188143 Ų14388%0.87981%0.805SS**  trans142.2139.7144.7-77.4-175.5-172.800108.6
195G30.9Very low30.4Very low73 Ų73136.5 Ų136.575%0.75380%0.799SS**  cis135.514423.200000105.8
196E30.7Very low30.2Very low187 Ų187137 Ų13787%0.87480%0.804SS**  cis-161174.110.7-80.7-170134.700107
197M31.6Very low30.1Very low171 Ų171133.8 Ų133.884%0.84281%0.812SS**  cis-169.9159.7-30.9-174168.8-164.300108.3
198D30.3Very low29.9Very low153 Ų153129.1 Ų129.182%0.81881%0.812SS**  trans-66.1160.2-178.3-80-67.1000116.7
199S35.2Very low30Very low129 Ų129131.3 Ų131.390%0.90282%0.824SS**  179.6176.8115.848.20000114.5
200N29.9Very low29.8Very low155 Ų155127.7 Ų127.783%0.82982%0.822SS**  trans-122.1147.8-149.8-175.2-8.7000113.3
201G27.6Very low29.6Very low74 Ų74130.2 Ų130.276%0.76383%0.826SS**  trans-146.5138176.500000113.2
202K28.4Very low29.6Very low200 Ų200131.5 Ų131.587%0.8783%0.825SS**  trans-150.3115.2-160.2177.9-174.7-175.2175.10114.4
203A29.6Very low29.4Very low96 Ų96131.6 Ų131.679%0.79382%0.823SS**  trans-168.1126.8157.300000115.6
204K31.2Very low29.3Very low208 Ų208132.8 Ų132.890%0.90482%0.824SS**  trans28.2149.3132.1-72.4-168.4173.5-177.20122.1
205A30.4Very low29.1Very low97 Ų97135.5 Ų135.580%0.80283%0.826SS**  cis-172165.1-6.900000113
206G26.3Very low28.9Very low83 Ų83136 Ų13686%0.85682%0.824SS**  trans99.8133.5167.400000113.7
207G26.5Very low28.7Very low86 Ų86132.5 Ų132.589%0.88782%0.818SS**  cis136.3128.9-5.100000111.7
208G25.5Very low28.4Very low73 Ų73135.4 Ų135.475%0.75382%0.82SS**  cis174.6177.3-5.100000112.1
209A29.5Very low28.3Very low116 Ų116139.9 Ų139.996%0.95983%0.825SS**  trans62.6143.9176.500000117.6
210G26.9Very low28Very low68 Ų68138.7 Ų138.770%0.70182%0.823SS**  cis175.6165.8-6.800000114.4
211F26.2Very low27.9Very low209 Ų209135 Ų13592%0.91782%0.822SS**  trans-13.9151158-68.1-100.8000118.4
212S27.9Very low28Very low91 Ų91135.9 Ų135.964%0.63682%0.822SS**  cis176.9167.9-5.953.90000112.1
213K28.4Very low27.9Very low185 Ų185134.1 Ų134.180%0.80482%0.822SS**  trans67.4130.6151.8-89.6-170.9172.1-174.30121.2
214L31.8Very low28Very low146 Ų146135.5 Ų135.576%0.76483%0.826SS**  trans36.6112.8131.3-66.1165.3000120.9
215R27.1Very low27.9Very low246 Ų246130.5 Ų130.593%0.92882%0.817SS**  trans174.4144.7130.7-94.6162.7178.5-157.3-2.1107.7
216A26.7Very low27.9Very low84 Ų84131.4 Ų131.469%0.69482%0.818SS**  cis86.212426.200000116.2
217C25.2Very low28.2Very low112 Ų112131.4 Ų131.476%0.75781%0.81SS**  trans81.2121.7157.3-67.50000123
218R26Very low28.4Very low233 Ų233134.2 Ų134.288%0.87981%0.81SS**  70.9118127.6-67.2-177.5175.9-162.7-0.9122.8
219R28.9Very low28.7Very low246 Ų246134.4 Ų134.493%0.92881%0.811SS**  53.1148128.4-82.6-170.5174.4-172.5-0.9122.7
220A27.3Very low29Very low104 Ų104133.8 Ų133.886%0.8681%0.807SS**  trans69.7153.6163.500000117
221G27.9Very low29.3Very low78 Ų78135.6 Ų135.680%0.80482%0.815SS**  cis142.3100.9-8.400000113.9
222A30.2Very low29.4Very low93 Ų93129.2 Ų129.277%0.76981%0.808SS**  trans-167127.3161.800000106.7
223D27.6Very low29.6Very low162 Ų162130.5 Ų130.587%0.86682%0.817SS**  68.5113.864.5-85.9-42.1000115.9
224S29.8Very low29.7Very low126 Ų126127.2 Ų127.288%0.88182%0.816SS**  trans-150.1140.9140.662.50000108.1
225S30Very low29.9Very low103 Ų103129.1 Ų129.172%0.7282%0.821SS**  trans-133-179.2-157.963.60000113.6
226S31.2Very low30Very low116 Ų116120.6 Ų120.681%0.81181%0.81SS**  trans97.6152.8161.682.70000118.8
227A31.5Very low30.4Very low83 Ų83123.9 Ų123.969%0.68681%0.81SS**  cis-172.1170.4-31.600000110.2
228T30.7Very low30.6Very low145 Ų145125.7 Ų125.789%0.8981%0.806SS**  trans97.1130.5-178.7650000114.6
229G31.2Very low30.8Very low76 Ų76120.9 Ų120.978%0.78480%0.797SS**  cis99.1142.4-0.500000114
230A36.3Very low30.9Very low104 Ų104115.3 Ų115.386%0.8679%0.791SS**  cis-167.6177.2-10.800000107.3
231A34.4Very low31.1Very low105 Ų105113.6 Ų113.687%0.86878%0.784SS**  cis-160.8-177-2.900000108.4
232G27Very low32Very low75 Ų75116.5 Ų116.577%0.77379%0.788SS**  trans-178.3124.1168.800000117.1
233S31.9Very low32.1Very low119 Ų119117.5 Ų117.583%0.83279%0.789SS**  trans-149.9179.2-176.1-47.90000109.1
234C30.8Very low32.1Very low115 Ų115115.5 Ų115.578%0.77779%0.787SS**  cis-158.8-159.5-0.424.20000107
235E35.7Very low32.2Very low187 Ų187114.1 Ų114.187%0.87478%0.777SS**  cis-154.717113.6-61.9173.675.100110.9
236G30.9Very low32.4Very low67 Ų67114.7 Ų114.769%0.69178%0.781SS**  trans93.5170.115500000118.8
237E33Very low32.4Very low152 Ų152114.1 Ų114.171%0.7178%0.777SS**  cis-161.5-168.3-13.5-117.8-51.685.400112.7
238K29.4Very low32.4Very low151 Ų151115.2 Ų115.266%0.65779%0.786SS**  trans-87.4-175.3-171.5-55.2169.4-166.267.90113.3
239D31.2Very low32.3Very low131 Ų131112.8 Ų112.870%0.70178%0.781SS**  cis-167.9168.522.8-153.1-5.8000115.2
240T31.2Very low32.8Very low129 Ų129115.3 Ų115.379%0.79178%0.783SS**  trans63.9153.5160.467.60000122.8
241G30.9Very low32.4Very low69 Ų69114.6 Ų114.671%0.71178%0.778SS**  trans-146.9179156.700000110.4
242P48.2Very low33.1Very low139 Ų139115.8 Ų115.890%0.90378%0.777SS**  trans-136.6169.8160.638.6-24.4000115.2
243S30.9Very low33.1Very low113 Ų113115.5 Ų115.579%0.7977%0.774SS**  trans-114.5150.1-173.7169.60000113.2
244C27.8Very low33.2Very low120 Ų120117.3 Ų117.381%0.81177%0.774SS**  trans176.2164.3142.253.40000112.3
245S31.4Very low33.3Very low97 Ų97117.6 Ų117.668%0.67877%0.772SS**  cis-173.7134.8-36.6-88.20000111.5
246S35.1Very low33.2Very low115 Ų115113.4 Ų113.480%0.80476%0.764SS**  trans68.6166.9155.489.80000117.7
247S31.8Very low33.4Very low104 Ų104115.2 Ų115.273%0.72777%0.766SS**  cis-153.1152.411.6-85.20000113.7
248A30.1Very low33.5Very low106 Ų106117.8 Ų117.888%0.87678%0.775SS**  trans71.3142.6144.500000123.3
249A28.7Very low33.5Very low95 Ų95120.7 Ų120.779%0.78579%0.788SS**  trans-108.8-168.316700000109.8
250P41Very low33.7Very low128 Ų128122.1 Ų122.183%0.83179%0.788SS**  cis-139.7-17749.539.8-19.4000116.4
251A28.4Very low33.8Very low90 Ų90123 Ų12374%0.74478%0.783SS**  trans-91.1-155.9174.500000110.9
252P49.2Very low33.8Very low130 Ų130126.3 Ų126.384%0.84478%0.784SS**  cis-139.5-173.27.544.3-24.9000116.9
253G27.9Very low33.1Very low69 Ų69124.2 Ų124.271%0.71177%0.773SS**  trans152.180.4165.100000113
254D33.1Very low33.2Very low157 Ų157124.3 Ų124.384%0.8477%0.765SS**  67.3128.791-947.2000115.1
255T33.3Very low33.7Very low120 Ų120127 Ų12774%0.73677%0.765SS**  cis-136.4-151.1-6.746.10000107.8
256S33.9Very low33.9Very low100 Ų100127.4 Ų127.470%0.69977%0.768SS**  cis-171.3158.64.8480000108.2
257S34.4Very low33.7Very low105 Ų105124.9 Ų124.973%0.73476%0.761SS**  cis-173.2149.5-21.655.50000108.8
258K35.2Very low33.8Very low206 Ų206128.9 Ų128.990%0.89677%0.768SS**  trans161.4113.7153.7-97.1170.8-179.2-178.60111.9
259F30.7Very low33.9Very low211 Ų211132.3 Ų132.393%0.92577%0.766SS**  -168.2-176.5112.6-156.1-112.4000108.4
260F34.5Very low34.2Very low162 Ų162136.7 Ų136.771%0.71177%0.77SS**  trans-131.6160.5-178.9-161.8-94.4000111.6
261E34.3Very low33.6Very low147 Ų147138.3 Ų138.369%0.68777%0.772SS**  trans-56.9167.2-179.9-71.6156.610600115.4
262D29.7Very low34Very low138 Ų138143.1 Ų143.174%0.73878%0.779SS**  cis-176.2-175-31-151.9-12.4000108
263S33.6Very low33Very low95 Ų95140.9 Ų140.966%0.66478%0.78SS**  trans77147.4161.2-67.30000120.7
264D33.7Very low33.4Very low116 Ų116142.7 Ų142.762%0.6278%0.781SS**  cis-175.6136.4-30.5-100-37.5000108.6
265E37.8Very low33.3Very low175 Ų175144.4 Ų144.482%0.81878%0.784SS**  trans48.2151.1134.3-70.6-157128.900123.4
266S35.8Very low33.5Very low106 Ų106147.7 Ų147.774%0.74179%0.791SS**  cis-169.3165.2-2.946.90000111.1
267G29.8Very low33.6Very low63 Ų63151.9 Ų151.965%0.64980%0.8SS**  trans103.9120.6169.800000113
268E33.9Very low33.4Very low187 Ų187154.5 Ų154.587%0.87481%0.805SS**  cis69.8131.134.3-45.5-177.8148.200112.1
269E33.4Very low33.1Very low179 Ų179147.6 Ų147.684%0.83679%0.792SS**  cis-136-174.316.4-71.6-176152.400114.5
270E34.7Very low33.2Very low186 Ų186143 Ų14387%0.86979%0.786SS**  trans-44.4156.4177-53.6168.617200119.5
271D28.2Very low33.2Very low163 Ų163144.1 Ų144.187%0.87279%0.794SS**  -164.9164.5119.5-153.8-5.3000111.3
272E36.8Very low33.1Very low191 Ų191146.6 Ų146.689%0.89381%0.806SS**  trans-95.7166178.4-63.1-170.8162.500113.6
273G28.5Very low33.2Very low83 Ų83143.5 Ų143.586%0.85681%0.806SS**  trans176.3117.6169.700000115.4
274S35.3Very low33.1Very low106 Ų106148.9 Ų148.974%0.74182%0.82SS**  trans-104.6155.5176.7580000112.9
275E32.7Very low32.9Very low193 Ų193148.3 Ų148.390%0.90283%0.826SS**  trans-174167.3132.7-103.4161-154.700112
276E36.4Very low32.6Very low189 Ų189144.6 Ų144.688%0.88382%0.819SS**  trans-123.9-157.4-178.2-68-167.8-160.200111.7
277E36.1Very low32.4Very low189 Ų189147 Ų14788%0.88382%0.824SS**  trans78.7121.8-173.4-57.8-166.4176.800113.7
278D30.2Very low32.7Very low160 Ų160151 Ų15186%0.85683%0.83SS**  cis107.8146.145.9-174.432.9000109.8
279G28.3Very low32.8Very low60 Ų60151.2 Ų151.262%0.61983%0.831SS**  trans151.464-178.800000117.9
280S32.5Very low32.9Very low115 Ų115151.7 Ų151.780%0.80483%0.833SS**  trans31.1143.3141.361.30000123.7
281E35.9Very low32.9Very low185 Ų185151.2 Ų151.286%0.86483%0.831SS**  trans-48.4147.8161.2-51.7169.2160.400114.4
282E32.7Very low33.2Very low200 Ų200150.9 Ų150.994%0.93583%0.829SS**  -160.7169.9110.3-76.9-149.217700108
283G30.7Very low33.1Very low72 Ų72147.5 Ų147.574%0.74282%0.822SS**  trans-151.6160.1-179.600000113.9
284E31.4Very low33.4Very low208 Ų208152.4 Ų152.497%0.97282%0.823SS**  trans-137.3-177.4172.2-77.9-151.2143.500111.9
285S29.7Very low33.4Very low104 Ų104156.3 Ų156.373%0.72783%0.829SS**  trans-104.5168.2-153.8173.50000115.1
286S31Very low33.5Very low97 Ų97150 Ų15068%0.67882%0.816SS**  trans71.1150.4161.217.90000115.9
287D31.1Very low33.4Very low157 Ų157150 Ų15084%0.8482%0.815SS**  cis-121.7171.822.1-78.4-53.6000115
288D36.4Very low33.4Very low147 Ų147148.4 Ų148.479%0.78681%0.813SS**  trans-83.3127.9178-47.8-71.6000112.8
289E37.1Very low33.8Very low192 Ų192149.3 Ų149.390%0.89781%0.812SS**  trans-134.6102153-72-166.3164.800108.6E291E289-E291 PolarHBondContact O-N 2.72Å
290E34.9Very low34.3Very low189 Ų189155.5 Ų155.588%0.88383%0.825SS**  trans-80.4102.2170.3-68.2-175.2161.300108.8
291E35.4Very low34.5Very low175 Ų175158.1 Ų158.182%0.81883%0.825SS**  trans-76.9115.9159.1-78-164128.900108.5E289 T293E289-E291 PolarHBondContact O-N 2.72Å; E291-T293 PolarHBondContact O-N 2.83Å
292D33.3Very low34.8Very low157 Ų157157.6 Ų157.684%0.8482%0.822SS**  trans-61.185.5166.3-79.4-56.6000109.4E294D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 2.96Å
293T35.3Very low35.3Very low120 Ų120152.9 Ų152.974%0.73680%0.801SS**  trans-68.697.9157.453.20000106.8E291 E295E291-T293 PolarHBondContact O-N 2.83Å; T293-E295 PolarHBondContact O-N 2.98Å
294E35.4Very low35.9Very low186 Ų186153.5 Ų153.587%0.86979%0.794SS**  trans-48.7115.5167.7-67.4-174.3154.800107.6D292 G296D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 2.96Å; E294-G296 PolarHBondContact O-N 3.49Å
295E35.5Very low36.8Very low188 Ų188149 Ų14988%0.87977%0.769SS**  trans-62.896.3168-74.5-171.9158.900105.9T293 E297T293-E295 PolarHBondContact O-N 2.98Å; E295-E297 PolarHBondContact O-N 2.7Å
296G34.2Very low37.6Very low60 Ų60146.3 Ų146.362%0.61975%0.748SS**  trans-54.3116.3163.900000106.3E294 D298E294-G296 PolarHBondContact O-N 3.49Å; G296-D298 PolarHBondContact O-N 2.63Å
297E34.8Very low38.5Very low188 Ų188143 Ų14388%0.87973%0.729SS**  trans-61.288.3160.8-66-179.1154.900105.2E295 E299E295-E297 PolarHBondContact O-N 2.7Å; E297-E299 PolarHBondContact O-N 3.33Å
298D35.2Very low39.3Very low156 Ų156140.8 Ų140.883%0.83472%0.715SS**  trans-5598.2165.2-92.9-18.6000104.4G296 E300G296-D298 PolarHBondContact O-N 2.63Å; D298-E300 PolarHBondContact O-N 2.81Å
299E38.7Very low39.7Very low179 Ų179139.2 Ų139.284%0.83671%0.707SS**  trans-51.5115.3173.2-67.7-175160.200105.4E297 E301E297-E299 PolarHBondContact O-N 3.33Å; E299-E301 PolarHBondContact O-N 2.94Å
300E39.5Very low40.5Very low191 Ų191133.2 Ų133.289%0.89370%0.697SS**  trans-64.683.6173.8-71.9-172.1170.900106.5D298 E302D298-E300 PolarHBondContact O-N 2.81Å; E300-E302 PolarHBondContact O-N 2.91Å
301E36.9Very low41.6Very low170 Ų170131 Ų13179%0.79468%0.684SS**  trans-49.1111.4172-85.6-163.2142.300105.4E299 M303E299-E301 PolarHBondContact O-N 2.94Å; E301-M303 WeakPolarHBondContact O-CG 3.45Å; E301-M303 PolarHBondContact O-N 3.18Å
302E41.5Very low43.4Very low173 Ų173127.6 Ų127.681%0.80867%0.668SS**  trans-6388.6-171.3-174.8177.7-178.200107.6E300 C304E300-E302 PolarHBondContact O-N 2.91Å; E302-C304 VanDerWaalsContact C-N 3.3Å; E302-C304 PolarHBondContact O-N 3.07Å
303M43.6Very low45.8Very low101 Ų101125.8 Ų125.850%0.49866%0.655SS.*  trans-65.597.5-170.5-74.9-144.9-51.300107.2E301 Y305E301-M303 WeakPolarHBondContact O-CG 3.45Å; E301-M303 PolarHBondContact O-N 3.18Å; M303-Y305 HydrophobicContact CB-CE2 4.21Å; M303-Y305 HydrophobicContact CE-CE1 4.11Å; M303-Y305 WeakPolarHBondContact CE-OH 3.31Å; M303-Y305 WeakPolarHBondContact O-CD2 3.45Å; M303-Y305 WeakPolarHBondContact O-CE2 3.45Å; M303-Y305 PolarHBondContact O-N 3.03Å
304C42.5Very low48.3Very low86 Ų86120.8 Ų120.858%0.58162%0.624SS**  trans-7185.2-178.5-165.80000107.7E302 F395E302-C304 VanDerWaalsContact C-N 3.3Å; E302-C304 PolarHBondContact O-N 3.07Å; C304-F395 VanDerWaalsContact O-CZ 3.32Å; C304-F395 WeakPolarHBondContact O-CZ 2.99Å
305Y51.1Low50.9Low114 Ų114112 Ų11245%0.44758%0.584SS.*  trans-59143.8175.6-63.6-88.1000108.9M303 G307 M308M303-Y305 HydrophobicContact CB-CE2 4.21Å; M303-Y305 HydrophobicContact CE-CE1 4.11Å; M303-Y305 WeakPolarHBondContact CE-OH 3.31Å; M303-Y305 WeakPolarHBondContact O-CD2 3.45Å; M303-Y305 WeakPolarHBondContact O-CE2 3.45Å; M303-Y305 PolarHBondContact O-N 3.03Å; Y305-G307 PolarHBondContact O-N 2.81Å; Y305-M308 HydrophobicContact CD2-SD 3.68Å; Y305-M308 HydrophobicContact CG-SD 4.26Å; Y305-M308 PolarHBondContact N-SD 3.47Å; Y305-M308 WeakPolarHBondContact O-CB 3.31Å; Y305-M308 WeakPolarHBondContact O-CG 3.36Å; Y305-M308 PolarHBondContact O-N 2.56Å; Y305-M308 VanDerWaalsContact O-N 3.14Å
306P46.7Very low53.6Low46 Ų46103.6 Ų103.630%0.29955%0.546SS..THydrogen-bonded Turntrans-48.9135.3178-28.334.6000112.4M308 D317 F395 Y396P306-M308 VanDerWaalsContact C-N 3.34Å; P306-M308 PolarHBondContact O-N 2.95Å; P306-D317 HydrophobicContact CB-CB 4.18Å; P306-F395 HydrophobicContact CB-CD2 4.42Å; P306-F395 HydrophobicContact CG-CD1 3.82Å; P306-F395 HydrophobicContact CG-CD2 3.94Å; P306-F395 HydrophobicContact CG-CE1 3.96Å; P306-F395 HydrophobicContact CG-CE2 4.06Å; P306-F395 HydrophobicContact CG-CG 3.83Å; P306-F395 HydrophobicContact CG-CZ 4.08Å; P306-Y396 HydrophobicContact CG-CE2 4.41Å
307G49.3Very low56.4Low27 Ų27102.1 Ų102.128%0.27852%0.524SS..THydrogen-bonded Turntrans74.84.9-179.800000117Y305 D309 G310Y305-G307 PolarHBondContact O-N 2.81Å; G307-D309 PolarHBondContact O-N 2.9Å; G307-G310 PolarHBondContact O-N 2.8Å
308M47.5Very low59.3Low112 Ų11293.3 Ų93.355%0.55248%0.483SS*.THydrogen-bonded Turntrans-60.8-26178-86-176.473.700114.8Y305 P306 G310Y305-M308 HydrophobicContact CD2-SD 3.68Å; Y305-M308 HydrophobicContact CG-SD 4.26Å; Y305-M308 PolarHBondContact N-SD 3.47Å; Y305-M308 WeakPolarHBondContact O-CB 3.31Å; Y305-M308 WeakPolarHBondContact O-CG 3.36Å; Y305-M308 PolarHBondContact O-N 2.56Å; Y305-M308 VanDerWaalsContact O-N 3.14Å; P306-M308 VanDerWaalsContact C-N 3.34Å; P306-M308 PolarHBondContact O-N 2.95Å; M308-G310 VanDerWaalsContact C-N 3.27Å
309D45.7Very low62.2Low113 Ų11385.9 Ų85.960%0.60444%0.443SS*.THydrogen-bonded Turntrans-82.6-3.8174.680.2-33.2000113.2G307 K311G307-D309 PolarHBondContact O-N 2.9Å; D309-K311 PolarHBondContact OD1-N 2.87Å
310G52.7Low65.1Low66 Ų6677.3 Ų77.368%0.6840%0.403SS*.SBendtrans82.711.6-175.600000114.9G307 M308G307-G310 PolarHBondContact O-N 2.8Å; M308-G310 VanDerWaalsContact C-N 3.27Å
311K59.7Low67.9Low142 Ų14268.3 Ų68.362%0.61736%0.361SS*.  trans-125.674.7179.8-60.5-179.4179.4179.40112D309 E313D309-K311 PolarHBondContact OD1-N 2.87Å; K311-E313 PolarHBondContact O-N 2.9Å; K311-E313 VanDerWaalsContact O-N 3.15Å
312E71.8Confident70.8Confident105 Ų10560.2 Ų60.249%0.49132%0.323SS..  trans-50.2121.2164.6-58154.816600109.6R117 P314 D317R117-E312 IonicContact CZ-OE2 3.64Å; R117-E312 PolarHBondContact NH1-O 3.34Å; R117-E312 IonicContact NH1-OE2 3.74Å; R117-E312 IonicContact NH2-OE2 2.72Å; R117-E312 PolarHBondContact NH2-OE2 3.49Å; E312-P314 WeakPolarHBondContact O-CD 3.49Å; E312-D317 WeakPolarHBondContact CA-OD2 3.43Å
313E85.3Confident73.6Confident118 Ų11852 Ų5255%0.55129%0.285SS*.  trans-95113.9179.2-76-171.216000110.5K311 G315 S316 D317K311-E313 PolarHBondContact O-N 2.9Å; K311-E313 VanDerWaalsContact O-N 3.15Å; E313-G315 PolarHBondContact O-N 2.73Å; E313-S316 WeakPolarHBondContact O-CA 3.41Å; E313-S316 WeakPolarHBondContact O-CB 3.26Å; E313-S316 PolarHBondContact O-N 3.09Å; E313-D317 PolarHBondContact N-OD2 3.02Å; E313-D317 PolarHBondContact O-N 2.84Å
314P87.4Confident76.2Confident15 Ų1547.1 Ų47.110%0.09726%0.261CS..THydrogen-bonded Turntrans-54.5124.7-178.6-31.839.4000113.6E63 L111 V112 E312 S316E63-P314 HydrophobicContact CG-CB 4Å; E63-P314 WeakPolarHBondContact OE1-CB 3.48Å; L111-P314 HydrophobicContact CB-CB 3.83Å; V112-P314 HydrophobicContact CG2-CG 3.96Å; E312-P314 WeakPolarHBondContact O-CD 3.49Å; P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 3.19Å
315G88.8Confident78.9Confident3 Ų343 Ų433%0.03123%0.233CC..THydrogen-bonded Turntrans82.3-17.9-174.700000115.6E313 S318 G392 D393 H394E313-G315 PolarHBondContact O-N 2.73Å; G315-S318 CarbonylContact C-O 3.42Å; G315-S318 WeakPolarHBondContact CA-O 3.37Å; G315-S318 PolarHBondContact N-OG 2.85Å; G315-G392 CarbonylContact O-C 3.56Å; G315-D393 PolarHBondContact O-N 3.39Å; G315-H394 WeakPolarHBondContact O-CB 3.2Å; G315-H394 PolarHBondContact O-CD2 2.98Å; G315-H394 VanDerWaalsContact O-CD2 3.25Å; G315-H394 PolarHBondContact O-N 2.91Å
316S93.2Very high81.2Confident11 Ų1137.6 Ų37.68%0.07721%0.212CC..THydrogen-bonded Turntrans-82.7-51.4164.9173.90000110.5E313 P314 D393 H394 F395 R398E313-S316 WeakPolarHBondContact O-CA 3.41Å; E313-S316 WeakPolarHBondContact O-CB 3.26Å; E313-S316 PolarHBondContact O-N 3.09Å; P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 3.19Å; S316-D393 CarbonylContact O-C 3.45Å; S316-D393 VanDerWaalsContact O-CA 3.31Å; S316-D393 WeakPolarHBondContact O-CA 3.31Å; S316-H394 PolarHBondContact O-N 3.29Å; S316-F395 WeakPolarHBondContact O-CB 3.11Å; S316-F395 PolarHBondContact O-N 2.97Å; S316-F395 PolarHBondContact OG-N 2.85Å; S316-R398 PolarHBondContact OG-NH2 3.06Å
317D92.3Very high83.6Confident29 Ų2935.8 Ų35.816%0.15520%0.2CC..THydrogen-bonded Turntrans-110.7-9.1-169.1-48.2-24.4000111.9P306 E312 E313P306-D317 HydrophobicContact CB-CB 4.18Å; E312-D317 WeakPolarHBondContact CA-OD2 3.43Å; E313-D317 PolarHBondContact N-OD2 3.02Å; E313-D317 PolarHBondContact O-N 2.84Å
318S95.1Very high85.8Confident2 Ų236.8 Ų36.81%0.01420%0.195CC..  trans-109.9154167.763.10000111.2H59 G60 E63 G315 D393H59-S318 VanDerWaalsContact O-CA 3.3Å; H59-S318 WeakPolarHBondContact O-CA 3.45Å; G60-S318 WeakPolarHBondContact O-CB 3.38Å; E63-S318 WeakPolarHBondContact OE1-CB 3.22Å; E63-S318 PolarHBondContact OE1-OG 3.4Å; G315-S318 CarbonylContact C-O 3.42Å; G315-S318 WeakPolarHBondContact CA-O 3.37Å; G315-S318 PolarHBondContact N-OG 2.85Å; S318-D393 PolarHBondContact O-N 2.94Å
319G97.6Very high88Confident0 Ų034.6 Ų34.60%020%0.202CC..EExtended strand (participates in β ladder)trans-158.7-174-176.900000112.6H59 I391H59-G319 PolarHBondContact N-O 3.1Å; H59-G319 PolarHBondContact O-N 3.24Å; G319-I391 CarbonylContact C-O 3.49Å; G319-I391 WeakPolarHBondContact CA-O 3.49Å
320T98.6Very high90.4Very high0 Ų035.5 Ų35.50%020%0.2CC..EExtended strand (participates in β ladder)trans-156.3143.6175.3-166.80000111.9Y56 D57 V64 A65 C68 A390 I391Y56-T320 WeakPolarHBondContact CB-OG1 3.4Å; D57-T320 CarbonylContact O-C 3.5Å; D57-T320 WeakPolarHBondContact O-CA 3.34Å; D57-T320 WeakPolarHBondContact O-CB 3.39Å; D57-T320 PolarHBondContact O-OG1 3.31Å; V64-T320 HydrophobicContact CB-CG2 4.34Å; V64-T320 HydrophobicContact CG1-CG2 3.87Å; A65-T320 WeakPolarHBondContact CB-OG1 3.18Å; C68-T320 HydrophobicContact CB-CG2 4.44Å; T320-A390 CarbonylContact O-C 3.57Å; T320-A390 WeakPolarHBondContact O-CA 3.03Å; T320-A390 WeakPolarHBondContact O-CB 3.38Å; T320-I391 HydrophobicContact CG2-CB 4.19Å; T320-I391 PolarHBondContact N-O 3.29Å; T320-I391 PolarHBondContact O-N 3.03Å
321T98.6Very high92.5Very high1 Ų137.1 Ų37.11%0.00619%0.19CC..  trans-71162.9162.977.10000110Y56 D57 A337 D339 S340 L387Y56-T321 VanDerWaalsContact CA-O 3.26Å; Y56-T321 WeakPolarHBondContact CA-O 3.22Å; D57-T321 HydrophobicContact CB-CG2 3.98Å; D57-T321 WeakPolarHBondContact CB-OG1 3.39Å; D57-T321 PolarHBondContact N-OG1 2.91Å; D57-T321 PolarHBondContact O-N 3.09Å; T321-A337 CarbonylContact C-O 3.53Å; T321-A337 VanDerWaalsContact CA-O 3.31Å; T321-A337 WeakPolarHBondContact CA-O 3.17Å; T321-A337 WeakPolarHBondContact CB-O 3.27Å; T321-D339 WeakPolarHBondContact CG2-OD1 3.35Å; T321-S340 PolarHBondContact OG1-OG 3.17Å; T321-L387 HydrophobicContact CG2-CD2 4.12Å
322A98.8Very high94.4Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-147.8108.7175.200000111.4Y56 F95 N336 A337 I391Y56-A322 HydrophobicContact CD1-CB 3.81Å; Y56-A322 HydrophobicContact CE1-CB 4.1Å; F95-A322 HydrophobicContact CD1-CB 4.48Å; F95-A322 HydrophobicContact CE1-CB 3.59Å; F95-A322 WeakPolarHBondContact CE1-O 3.37Å; F95-A322 HydrophobicContact CZ-CB 3.81Å; F95-A322 WeakPolarHBondContact CZ-O 3.48Å; A322-N336 WeakPolarHBondContact O-CA 3.39Å; A322-N336 PolarHBondContact O-OD1 3.2Å; A322-A337 PolarHBondContact N-O 2.66Å; A322-A337 PolarHBondContact O-N 3.3Å; A322-I391 HydrophobicContact CB-CD1 3.82Å
323V98.9Very high95.6Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-103118.9166.961.10000109.3S54 V55 V334 A335 N336 S340 C342 I429S54-V323 WeakPolarHBondContact CA-O 3.14Å; S54-V323 WeakPolarHBondContact CB-O 3.12Å; V55-V323 HydrophobicContact CB-CG1 3.97Å; V55-V323 PolarHBondContact N-O 3.23Å; V55-V323 PolarHBondContact O-N 3.03Å; V55-V323 VanDerWaalsContact O-N 3.1Å; V323-V334 HydrophobicContact CG2-CG1 4.16Å; V323-A335 WeakPolarHBondContact CA-O 3.38Å; V323-N336 WeakPolarHBondContact CB-OD1 3.2Å; V323-S340 VanDerWaalsContact CG1-CB 3.49Å; V323-C342 HydrophobicContact CG2-CB 3.77Å; V323-I429 HydrophobicContact CB-CG2 4.34Å; V323-I429 HydrophobicContact CG1-CG2 3.32Å; V323-I429 HydrophobicContact CG2-CG2 4.1Å
324V98.9Very high96.3Very high0 Ų019.8 Ų19.80%011%0.111CC..EExtended strand (participates in β ladder)trans-128116.4-172.2179.80000110.8M52 Y56 L72 I76 L91 F95 L326 V334 A335M52-V324 HydrophobicContact CE-CG1 3.94Å; M52-V324 HydrophobicContact CG-CG1 4.34Å; Y56-V324 HydrophobicContact CE1-CG2 4.43Å; L72-V324 HydrophobicContact CD2-CG2 3.85Å; I76-V324 HydrophobicContact CD1-CG1 4.23Å; L91-V324 HydrophobicContact CD2-CB 4.38Å; L91-V324 HydrophobicContact CD2-CG1 3.79Å; F95-V324 HydrophobicContact CE2-CB 4.22Å; F95-V324 HydrophobicContact CE2-CG2 3.81Å; F95-V324 HydrophobicContact CZ-CB 4.22Å; F95-V324 HydrophobicContact CZ-CG2 3.7Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å; V324-V334 CarbonylContact O-C 3.53Å; V324-V334 WeakPolarHBondContact O-CA 3.36Å; V324-A335 PolarHBondContact N-O 2.84Å; V324-A335 PolarHBondContact O-N 3.12Å
325A98.8Very high96.8Very high0 Ų019.1 Ų19.10%011%0.107CC..EExtended strand (participates in β ladder)trans-105.5114.5176.600000111.5M52 F53 L332 I333 V334 M427 I429M52-A325 WeakPolarHBondContact CA-O 3.38Å; F53-A325 PolarHBondContact N-O 2.84Å; F53-A325 PolarHBondContact O-N 3.23Å; A325-L332 HydrophobicContact CB-CD1 4.04Å; A325-I333 CarbonylContact C-O 3.59Å; A325-I333 WeakPolarHBondContact CA-O 3.49Å; A325-V334 HydrophobicContact CB-CG2 3.99Å; A325-M427 HydrophobicContact CB-CE 3.91Å; A325-M427 HydrophobicContact CB-SD 4.32Å; A325-I429 HydrophobicContact CB-CD1 3.64Å
326L98.8Very high97.3Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-97.3131168.5-60.5-174.9000110.6L46 T50 A51 M52 I76 Y82 L87 L91 V324 L332 I333L46-L326 HydrophobicContact CD2-CD2 3.99Å; T50-L326 HydrophobicContact CG2-CB 4.42Å; T50-L326 HydrophobicContact CG2-CD2 4.49Å; A51-L326 WeakPolarHBondContact O-CA 3.16Å; M52-L326 HydrophobicContact CB-CD2 3.68Å; M52-L326 HydrophobicContact CG-CD2 3.82Å; M52-L326 HydrophobicContact SD-CD2 4.28Å; I76-L326 HydrophobicContact CG2-CD1 4.34Å; Y82-L326 HydrophobicContact CE2-CD1 4.31Å; L87-L326 HydrophobicContact CD2-CD1 4.42Å; L91-L326 HydrophobicContact CD1-CD1 3.97Å; L91-L326 HydrophobicContact CD1-CG 4.18Å; L91-L326 HydrophobicContact CD2-CD1 3.92Å; L91-L326 HydrophobicContact CD2-CG 4.15Å; L91-L326 HydrophobicContact CG-CD1 4.01Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å; L326-L332 WeakPolarHBondContact O-CA 3.42Å; L326-I333 PolarHBondContact N-O 2.84Å; L326-I333 PolarHBondContact O-N 3.23Å
327I98.1Very high97.6Very high7 Ų718.5 Ų18.54%0.03610%0.102CC..EExtended strand (participates in β ladder)trans-114.1107.9171.9-49.6175.4000108.9M22 T50 A51 F53 Q331 L332 L420 M427 F495M22-I327 HydrophobicContact CE-CB 4.2Å; M22-I327 HydrophobicContact CE-CD1 3.88Å; M22-I327 HydrophobicContact CE-CG2 4.02Å; M22-I327 HydrophobicContact SD-CD1 4.23Å; T50-I327 WeakPolarHBondContact CA-O 3.38Å; A51-I327 HydrophobicContact CB-CB 4.45Å; A51-I327 PolarHBondContact N-O 3.11Å; A51-I327 PolarHBondContact O-N 3Å; F53-I327 HydrophobicContact CD2-CD1 4.33Å; F53-I327 HydrophobicContact CE2-CD1 4.08Å; I327-Q331 WeakPolarHBondContact CA-O 3.43Å; I327-L332 HydrophobicContact CG1-CD1 4.06Å; I327-L420 HydrophobicContact CG2-CD1 4.04Å; I327-M427 HydrophobicContact CD1-CE 3.82Å; I327-M427 HydrophobicContact CG1-CE 4.28Å; I327-F495 HydrophobicContact CD1-CE1 4.2Å
328R96.1Very high97.9Very high48 Ų4817.1 Ų17.118%0.1819%0.094CC..EExtended strand (participates in β ladder)trans-116.1111.5171-171.8176.7-74.7175.2-7.8110.6D47 E49 T50 Y82 L87 K330 Q331D47-R328 IonicContact OD1-NH2 4Å; D47-R328 IonicContact OD2-CZ 3.93Å; D47-R328 IonicContact OD2-NH2 2.81Å; D47-R328 PolarHBondContact OD2-NH2 2.84Å; E49-R328 HydrophobicContact CB-CG 4.03Å; T50-R328 HydrophobicContact CG2-CB 4.31Å; T50-R328 PolarHBondContact OG1-NE 3.48Å; T50-R328 PolarHBondContact OG1-NH2 3.4Å; T50-R328 VanDerWaalsContact OG1-NH2 3.08Å; Y82-R328 VanDerWaalsContact CE1-NH2 3.32Å; Y82-R328 PolarHBondContact OH-NH2 3.17Å; Y82-R328 VanDerWaalsContact OH-NH2 3.17Å; L87-R328 HydrophobicContact CD1-CB 3.86Å; R328-K330 PolarHBondContact O-N 2.68Å; R328-Q331 PolarHBondContact N-O 2.96Å; R328-Q331 PolarHBondContact O-N 3.47Å
329G93.5Very high98Very high67 Ų6717.2 Ų17.269%0.69110%0.095SC*.THydrogen-bonded Turntrans63.6-90.4-179.100000113.4
330K95.1Very high98Very high132 Ų13217.2 Ų17.257%0.57410%0.095SC*.THydrogen-bonded Turntrans-123.1-3.1173.6-79.8-165.6169.4-155.10113.9R328 L420R328-K330 PolarHBondContact O-N 2.68Å; K330-L420 WeakPolarHBondContact O-CB 3.37Å; K330-L420 WeakPolarHBondContact O-CG 3.43Å; K330-L420 PolarHBondContact O-N 3.05Å
331Q97.5Very high98Very high100 Ų10019 Ų1947%0.46710%0.101SC..EExtended strand (participates in β ladder)trans-88.1124.1176.7-63.7-177.76.900108.7I327 R328 I333I327-Q331 WeakPolarHBondContact CA-O 3.43Å; R328-Q331 PolarHBondContact N-O 2.96Å; R328-Q331 PolarHBondContact O-N 3.47Å; Q331-I333 HydrophobicContact CB-CD1 3.74Å
332L98.6Very high98.1Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-96.8121.5160.7170.463.4000106.9A325 L326 I327 V334 V344 M353 V417 L418 L420 M427 F495A325-L332 HydrophobicContact CB-CD1 4.04Å; L326-L332 WeakPolarHBondContact O-CA 3.42Å; I327-L332 HydrophobicContact CG1-CD1 4.06Å; L332-V334 HydrophobicContact CD1-CG2 3.9Å; L332-V334 HydrophobicContact CD2-CG2 4.44Å; L332-V334 HydrophobicContact CG-CG2 4.04Å; L332-V344 HydrophobicContact CD2-CG2 3.67Å; L332-M353 HydrophobicContact CD2-CE 4.27Å; L332-M353 HydrophobicContact CD2-CG 4.33Å; L332-M353 HydrophobicContact CG-CE 4.32Å; L332-V417 WeakPolarHBondContact O-CA 3.19Å; L332-L418 HydrophobicContact CB-CB 4.43Å; L332-L418 HydrophobicContact CD2-CD2 4.4Å; L332-L418 PolarHBondContact N-O 3.44Å; L332-L418 PolarHBondContact O-N 2.88Å; L332-L420 HydrophobicContact CB-CD1 4.42Å; L332-L420 HydrophobicContact CB-CD2 4Å; L332-L420 HydrophobicContact CB-CG 4.14Å; L332-L420 HydrophobicContact CD2-CD2 4.3Å; L332-M427 HydrophobicContact CD1-CE 4.13Å; L332-M427 HydrophobicContact CD1-SD 3.71Å; L332-M427 HydrophobicContact CD2-SD 3.89Å; L332-M427 HydrophobicContact CG-SD 4.49Å; L332-F495 HydrophobicContact CD2-CZ 4.33Å
333I98.8Very high98.1Very high1 Ų118.9 Ų18.91%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-116.8122.7174.3-54.189.2000106.4L87 Q88 L91 A325 L326 Q331 V415 V417L87-I333 HydrophobicContact CB-CD1 4.19Å; L87-I333 HydrophobicContact CB-CG1 4.29Å; L87-I333 HydrophobicContact CD1-CD1 3.74Å; Q88-I333 HydrophobicContact CG-CG2 4.16Å; L91-I333 HydrophobicContact CD1-CB 4.39Å; L91-I333 HydrophobicContact CD1-CG2 3.63Å; A325-I333 CarbonylContact C-O 3.59Å; A325-I333 WeakPolarHBondContact CA-O 3.49Å; L326-I333 PolarHBondContact N-O 2.84Å; L326-I333 PolarHBondContact O-N 3.23Å; Q331-I333 HydrophobicContact CB-CD1 3.74Å; I333-V415 HydrophobicContact CG2-CG1 3.65Å; I333-V417 HydrophobicContact CB-CG2 4.41Å; I333-V417 HydrophobicContact CG1-CG1 4.4Å; I333-V417 HydrophobicContact CG1-CG2 4.02Å; I333-V417 HydrophobicContact CG2-CG2 4.06Å
334V98.9Very high98.1Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-116.5126.5176.9177.30000108.6V323 V324 A325 L332 C342 M353 V415 K416V323-V334 HydrophobicContact CG2-CG1 4.16Å; V324-V334 CarbonylContact O-C 3.53Å; V324-V334 WeakPolarHBondContact O-CA 3.36Å; A325-V334 HydrophobicContact CB-CG2 3.99Å; L332-V334 HydrophobicContact CD1-CG2 3.9Å; L332-V334 HydrophobicContact CD2-CG2 4.44Å; L332-V334 HydrophobicContact CG-CG2 4.04Å; V334-C342 HydrophobicContact CG1-CB 3.91Å; V334-M353 HydrophobicContact CB-CB 4.17Å; V334-M353 HydrophobicContact CB-CE 4.2Å; V334-M353 HydrophobicContact CG1-CB 4.36Å; V334-M353 HydrophobicContact CG2-CB 3.88Å; V334-M353 HydrophobicContact CG2-CE 3.94Å; V334-M353 HydrophobicContact CG2-CG 4.48Å; V334-V415 CarbonylContact O-C 3.49Å; V334-V415 VanDerWaalsContact O-CA 3.32Å; V334-V415 WeakPolarHBondContact O-CA 3.31Å; V334-K416 PolarHBondContact N-O 2.87Å; V334-K416 PolarHBondContact O-N 2.9Å
335A98.9Very high98Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-109.6137.9168.700000108.8L91 F95 V323 V324 P413 D414 V415L91-A335 HydrophobicContact CB-CB 3.76Å; L91-A335 HydrophobicContact CD1-CB 3.8Å; L91-A335 HydrophobicContact CD2-CB 4.38Å; L91-A335 HydrophobicContact CG-CB 4.18Å; F95-A335 HydrophobicContact CE2-CB 4.15Å; F95-A335 HydrophobicContact CZ-CB 4.13Å; V323-A335 WeakPolarHBondContact CA-O 3.38Å; V324-A335 PolarHBondContact N-O 2.84Å; V324-A335 PolarHBondContact O-N 3.12Å; A335-P413 HydrophobicContact CB-CB 3.93Å; A335-P413 HydrophobicContact CB-CG 4.2Å; A335-D414 CarbonylContact C-O 3.53Å; A335-D414 WeakPolarHBondContact CA-O 3.4Å; A335-V415 HydrophobicContact CB-CG2 3.93Å
336N98.9Very high97.9Very high1 Ų121.6 Ų21.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-135.3135.2175.3-17140.4000112.5A322 V323 G338 S340 S354 Y355 H357 P413 D414A322-N336 WeakPolarHBondContact O-CA 3.39Å; A322-N336 PolarHBondContact O-OD1 3.2Å; V323-N336 WeakPolarHBondContact CB-OD1 3.2Å; N336-G338 PolarHBondContact ND2-O 2.97Å; N336-S340 PolarHBondContact ND2-O 3.35Å; N336-S340 PolarHBondContact OD1-O 2.85Å; N336-S354 VanDerWaalsContact CB-CB 3.47Å; N336-Y355 PolarHBondContact ND2-O 3.42Å; N336-H357 PolarHBondContact O-CE1 2.81Å; N336-P413 CarbonylContact O-C 3.47Å; N336-P413 WeakPolarHBondContact O-CA 3.29Å; N336-P413 WeakPolarHBondContact O-CB 3.44Å; N336-D414 PolarHBondContact N-O 3.23Å; N336-D414 PolarHBondContact O-N 2.78Å
337A98.7Very high97.7Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-130115.8163.800000108F95 T321 A322 R389 P413F95-A337 HydrophobicContact CD1-CB 3.99Å; F95-A337 HydrophobicContact CE1-CB 3.84Å; T321-A337 CarbonylContact C-O 3.53Å; T321-A337 VanDerWaalsContact CA-O 3.31Å; T321-A337 WeakPolarHBondContact CA-O 3.17Å; T321-A337 WeakPolarHBondContact CB-O 3.27Å; A322-A337 PolarHBondContact N-O 2.66Å; A322-A337 PolarHBondContact O-N 3.3Å; A337-R389 CarbonylContact C-O 3.58Å; A337-R389 HydrophobicContact CB-CB 4.08Å; A337-P413 HydrophobicContact CB-CB 4.45Å
338G98.3Very high97.5Very high0 Ų028.8 Ų28.80%015%0.15CC..SBendtrans107.7-159.6-174.900000113.1N336 H357 R389N336-G338 PolarHBondContact ND2-O 2.97Å; G338-H357 PolarHBondContact N-ND1 3.3Å; G338-H357 PolarHBondContact O-N 3.17Å; G338-H357 PolarHBondContact O-ND1 2.91Å; G338-R389 WeakPolarHBondContact CA-O 3.34Å; G338-R389 PolarHBondContact N-O 3.12Å; G338-R389 VanDerWaalsContact N-O 3.14Å
339D97.7Very high97.6Very high4 Ų433 Ų332%0.02117%0.17CC..SBendtrans-112.83.2-169.843.88.8000114.9T321 D356 K358T321-D339 WeakPolarHBondContact CG2-OD1 3.35Å; D339-D356 HydrophobicContact CB-CB 4Å; D339-K358 HydrophobicContact CB-CD 4.2Å; D339-K358 WeakPolarHBondContact OD2-CE 3.47Å; D339-K358 IonicContact OD2-NZ 3.14Å; D339-K358 PolarHBondContact OD2-NZ 3.5Å
340S98.4Very high97.8Very high0 Ų030.4 Ų30.40%014%0.142CC..  trans-56142.8153.6-78.10000111.1T321 V323 N336T321-S340 PolarHBondContact OG1-OG 3.17Å; V323-S340 VanDerWaalsContact CG1-CB 3.49Å; N336-S340 PolarHBondContact ND2-O 3.35Å; N336-S340 PolarHBondContact OD1-O 2.85Å
341R98.8Very high98Very high37 Ų3726.1 Ų26.114%0.1413%0.125CC..EExtended strand (participates in β ladder)trans-127.2146.5-176.7-153.2-172.2-61.1146.78.9113.9V343 S354 D356 A430 W435 S440R341-V343 HydrophobicContact CG-CG2 4.31Å; R341-S354 WeakPolarHBondContact CA-OG 3.37Å; R341-S354 WeakPolarHBondContact CG-OG 3.32Å; R341-D356 WeakPolarHBondContact CG-OD1 3.34Å; R341-D356 IonicContact CZ-OD1 3.47Å; R341-D356 IonicContact CZ-OD2 2.94Å; R341-D356 IonicContact NE-OD1 3.43Å; R341-D356 PolarHBondContact NE-OD1 3.33Å; R341-D356 IonicContact NE-OD2 3.8Å; R341-D356 PolarHBondContact NE-OD2 2.88Å; R341-D356 IonicContact NH2-OD1 2.68Å; R341-D356 IonicContact NH2-OD2 3.17Å; R341-D356 PolarHBondContact NH2-OD2 3.42Å; R341-A430 PolarHBondContact N-O 2.9Å; R341-A430 PolarHBondContact O-N 2.93Å; R341-A430 VanDerWaalsContact O-N 3.09Å; R341-W435 HydrophobicContact CB-CD2 3.97Å; R341-W435 HydrophobicContact CB-CG 3.93Å; R341-W435 HydrophobicContact CB-CZ2 4.27Å; R341-W435 WeakPolarHBondContact O-CZ2 3.08Å; R341-W435 PolarHBondContact O-NE1 3.29Å; R341-S440 PolarHBondContact NH1-OG 3.15Å
342C98.9Very high98Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-116.6134.4168178.50000110.8V323 V334 M353 S354 V428 I429V323-C342 HydrophobicContact CG2-CB 3.77Å; V334-C342 HydrophobicContact CG1-CB 3.91Å; C342-M353 HydrophobicContact CB-CB 4.24Å; C342-M353 PolarHBondContact O-N 2.88Å; C342-S354 PolarHBondContact N-OG 2.78Å; C342-S354 PolarHBondContact O-N 3.37Å; C342-V428 CarbonylContact C-O 3.55Å; C342-V428 VanDerWaalsContact CA-O 3.31Å; C342-V428 WeakPolarHBondContact CA-O 3.44Å; C342-I429 HydrophobicContact CB-CG1 4.24Å
343V98.9Very high98Very high0 Ų024.1 Ų24.10%012%0.117CC..EExtended strand (participates in β ladder)trans-135.6133.4-176.8-176.40000110.1R341 A350 M427 V428 W435 V444R341-V343 HydrophobicContact CG-CG2 4.31Å; V343-A350 HydrophobicContact CG1-CB 3.76Å; V343-M427 CarbonylContact O-C 3.15Å; V343-M427 WeakPolarHBondContact O-CA 3.38Å; V343-M427 WeakPolarHBondContact O-CB 3.22Å; V343-V428 PolarHBondContact N-O 2.83Å; V343-V428 PolarHBondContact O-N 3.44Å; V343-W435 HydrophobicContact CB-CH2 4.21Å; V343-W435 HydrophobicContact CG2-CH2 3.64Å; V343-W435 HydrophobicContact CG2-CZ2 4.21Å; V343-W435 HydrophobicContact CG2-CZ3 3.97Å; V343-V444 HydrophobicContact CG1-CG2 3.76Å
344V98.8Very high98Very high0 Ų024.3 Ų24.30%012%0.119CC..EExtended strand (participates in β ladder)trans-100.4139.7173.4169.90000110.1L332 A350 I351 M353 L418 H424 M427 F495L332-V344 HydrophobicContact CD2-CG2 3.67Å; V344-A350 CarbonylContact O-C 3.49Å; V344-I351 HydrophobicContact CB-CB 4.4Å; V344-I351 PolarHBondContact N-O 3.05Å; V344-I351 PolarHBondContact O-N 2.79Å; V344-M353 HydrophobicContact CB-CG 4.31Å; V344-M353 HydrophobicContact CG2-CG 3.55Å; V344-L418 HydrophobicContact CB-CD2 4.29Å; V344-L418 HydrophobicContact CG1-CD2 4.05Å; V344-L418 HydrophobicContact CG2-CD2 3.99Å; V344-H424 HydrophobicContact CG1-CB 4.16Å; V344-M427 HydrophobicContact CG2-CB 3.84Å; V344-F495 HydrophobicContact CG1-CE2 4.33Å; V344-F495 HydrophobicContact CG2-CZ 4.48Å
345S98.3Very high97.9Very high0 Ų030.9 Ų30.90%014%0.144CC..EExtended strand (participates in β ladder)trans-86.9117.7164.1176.60000109.9G348 H424 D425 F426S345-G348 WeakPolarHBondContact OG-CA 3.47Å; S345-G348 PolarHBondContact OG-N 2.89Å; S345-G348 VanDerWaalsContact OG-N 3.16Å; S345-H424 CarbonylContact O-C 3.53Å; S345-H424 VanDerWaalsContact O-CA 3.25Å; S345-H424 WeakPolarHBondContact O-CA 3.3Å; S345-D425 PolarHBondContact O-N 3.38Å; S345-D425 PolarHBondContact OG-OD2 2.94Å; S345-F426 PolarHBondContact N-O 2.93Å
346E97Very high97.8Very high57 Ų5732.4 Ų32.427%0.26615%0.152SC..EExtended strand (participates in β ladder)trans-107.9109.2161.7-175.7175.4-111.900108.7G348 K349 I351 N421 E423 H424E346-G348 PolarHBondContact O-N 2.97Å; E346-G348 VanDerWaalsContact O-N 3.16Å; E346-K349 PolarHBondContact N-O 3.39Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.12Å; E346-I351 HydrophobicContact CB-CD1 3.6Å; E346-I351 HydrophobicContact CB-CG1 4.35Å; E346-I351 HydrophobicContact CG-CD1 4.41Å; E346-N421 PolarHBondContact OE1-ND2 3.17Å; E346-E423 CarbonylContact C-O 3.39Å; E346-E423 WeakPolarHBondContact CA-O 3.36Å; E346-E423 HydrophobicContact CG-CB 4.21Å; E346-H424 IonicContact OE1-CD2 2.71Å; E346-H424 IonicContact OE1-NE2 3.03Å; E346-H424 PolarHBondContact OE1-NE2 2.81Å
347K93.9Very high97.8Very high138 Ų13832.6 Ų32.660%0.615%0.153SC*.THydrogen-bonded Turntrans53.730.7-176.9-64.1157.7166.1154.10114.1E423 D425K347-E423 HydrophobicContact CD-CB 4.35Å; K347-E423 WeakPolarHBondContact CE-OE1 3.45Å; K347-E423 WeakPolarHBondContact CE-OE2 3.46Å; K347-E423 HydrophobicContact CG-CB 4.19Å; K347-E423 PolarHBondContact N-O 2.88Å; K347-E423 IonicContact NZ-OE1 3.28Å; K347-E423 PolarHBondContact NZ-OE1 2.85Å; K347-E423 IonicContact NZ-OE2 2.66Å; K347-E423 PolarHBondContact NZ-OE2 3.37Å; K347-D425 PolarHBondContact N-OD2 2.92Å
348G93.2Very high97.7Very high19 Ų1934.9 Ų34.920%0.19616%0.163CC..THydrogen-bonded Turntrans80.47.5-174.300000115.5S345 E346 D425 Q441 V444S345-G348 WeakPolarHBondContact OG-CA 3.47Å; S345-G348 PolarHBondContact OG-N 2.89Å; S345-G348 VanDerWaalsContact OG-N 3.16Å; E346-G348 PolarHBondContact O-N 2.97Å; E346-G348 VanDerWaalsContact O-N 3.16Å; G348-D425 PolarHBondContact N-OD2 2.6Å; G348-Q441 PolarHBondContact O-NE2 3.25Å; G348-V444 WeakPolarHBondContact O-CG1 3.28Å
349K98.1Very high97.7Very high138 Ų13834.9 Ų34.960%0.616%0.163SC*.EExtended strand (participates in β ladder)trans-96135.7166.9-169.1-160.1166.8-165.80109.7E346E346-K349 PolarHBondContact N-O 3.39Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.12Å
350A98.5Very high97.6Very high12 Ų1239.7 Ų39.710%0.09919%0.185CC..EExtended strand (participates in β ladder)trans-65.4137.417000000112.8V343 V344 Q441 V444V343-A350 HydrophobicContact CG1-CB 3.76Å; V344-A350 CarbonylContact O-C 3.49Å; A350-Q441 HydrophobicContact CB-CB 4.34Å; A350-V444 HydrophobicContact CB-CB 4.39Å; A350-V444 HydrophobicContact CB-CG2 4.02Å
351I98.4Very high97.5Very high42 Ų4243.1 Ų43.122%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-126.8107.1164.3-61.2177.1000106.8V344 E346 M353V344-I351 HydrophobicContact CB-CB 4.4Å; V344-I351 PolarHBondContact N-O 3.05Å; V344-I351 PolarHBondContact O-N 2.79Å; E346-I351 HydrophobicContact CB-CD1 3.6Å; E346-I351 HydrophobicContact CB-CG1 4.35Å; E346-I351 HydrophobicContact CG-CD1 4.41Å; I351-M353 PolarHBondContact O-N 3.18Å
352D98.4Very high97.5Very high54 Ų5449.9 Ų49.929%0.28924%0.237SC..EExtended strand (participates in β ladder)trans-64.7124.1175.6-50.5-79.5000109.9K416 S440D352-K416 WeakPolarHBondContact O-CE 3.35Å; D352-K416 PolarHBondContact O-NZ 3.13Å; D352-S440 WeakPolarHBondContact OD1-CB 2.86Å; D352-S440 PolarHBondContact OD1-OG 3.49Å
353M98.6Very high97.4Very high3 Ų356.6 Ų56.62%0.01527%0.272CS..SBendtrans-99.8-10179.8-78.8-59.4-57.900113.2L332 V334 C342 V344 I351 K416 L418L332-M353 HydrophobicContact CD2-CE 4.27Å; L332-M353 HydrophobicContact CD2-CG 4.33Å; L332-M353 HydrophobicContact CG-CE 4.32Å; V334-M353 HydrophobicContact CB-CB 4.17Å; V334-M353 HydrophobicContact CB-CE 4.2Å; V334-M353 HydrophobicContact CG1-CB 4.36Å; V334-M353 HydrophobicContact CG2-CB 3.88Å; V334-M353 HydrophobicContact CG2-CE 3.94Å; V334-M353 HydrophobicContact CG2-CG 4.48Å; C342-M353 HydrophobicContact CB-CB 4.24Å; C342-M353 PolarHBondContact O-N 2.88Å; V344-M353 HydrophobicContact CB-CG 4.31Å; V344-M353 HydrophobicContact CG2-CG 3.55Å; I351-M353 PolarHBondContact O-N 3.18Å; M353-K416 HydrophobicContact CE-CB 4.13Å; M353-K416 HydrophobicContact CE-CG 4.05Å; M353-K416 VanDerWaalsContact O-CB 3.31Å; M353-K416 WeakPolarHBondContact O-CB 3.33Å; M353-K416 HydrophobicContact SD-CG 4.43Å; M353-L418 HydrophobicContact CE-CB 3.73Å; M353-L418 HydrophobicContact SD-CB 3.74Å; M353-L418 HydrophobicContact SD-CD2 3.89Å; M353-L418 HydrophobicContact SD-CG 4.39Å
354S98.4Very high97.3Very high6 Ų657 Ų574%0.04227%0.274CS..SBendtrans-128.6169.9165.158.70000110.2N336 R341 C342N336-S354 VanDerWaalsContact CB-CB 3.47Å; R341-S354 WeakPolarHBondContact CA-OG 3.37Å; R341-S354 WeakPolarHBondContact CG-OG 3.32Å; C342-S354 PolarHBondContact N-OG 2.78Å; C342-S354 PolarHBondContact O-N 3.37Å
355Y95.9Very high97.3Very high137 Ų13759 Ų5954%0.53728%0.284SS..  trans-115.6145.5160.4-60-78.3000107.4N336 H357 K416N336-Y355 PolarHBondContact ND2-O 3.42Å; Y355-H357 PolarHBondContact O-CE1 2.93Å; Y355-H357 VanDerWaalsContact O-CE1 3.25Å; Y355-H357 PolarHBondContact O-ND1 3Å; Y355-K416 HydrophobicContact CE2-CD 4.45Å; Y355-K416 PolarHBondContact OH-NZ 3Å
356D97.8Very high97.3Very high33 Ų3361 Ų6118%0.17630%0.302CS..  trans-74.4150.2174.1-54.413000108.3D339 R341D339-D356 HydrophobicContact CB-CB 4Å; R341-D356 WeakPolarHBondContact CG-OD1 3.34Å; R341-D356 IonicContact CZ-OD1 3.47Å; R341-D356 IonicContact CZ-OD2 2.94Å; R341-D356 IonicContact NE-OD1 3.43Å; R341-D356 PolarHBondContact NE-OD1 3.33Å; R341-D356 IonicContact NE-OD2 3.8Å; R341-D356 PolarHBondContact NE-OD2 2.88Å; R341-D356 IonicContact NH2-OD1 2.68Å; R341-D356 IonicContact NH2-OD2 3.17Å; R341-D356 PolarHBondContact NH2-OD2 3.42Å
357H98.2Very high97.4Very high5 Ų559.8 Ų59.82%0.02329%0.294CS..  trans-115.392.1-177.2-58.589.7000110.3N336 G338 Y355 E364 S388 R389 D414N336-H357 PolarHBondContact O-CE1 2.81Å; G338-H357 PolarHBondContact N-ND1 3.3Å; G338-H357 PolarHBondContact O-N 3.17Å; G338-H357 PolarHBondContact O-ND1 2.91Å; Y355-H357 PolarHBondContact O-CE1 2.93Å; Y355-H357 VanDerWaalsContact O-CE1 3.25Å; Y355-H357 PolarHBondContact O-ND1 3Å; H357-E364 IonicContact CD2-OE1 3.58Å; H357-S388 VanDerWaalsContact C-OG 3.27Å; H357-S388 WeakPolarHBondContact CB-OG 3.37Å; H357-S388 PolarHBondContact O-N 3.02Å; H357-S388 VanDerWaalsContact O-N 3.11Å; H357-S388 PolarHBondContact O-OG 3.46Å; H357-S388 VanDerWaalsContact O-OG 3.11Å; H357-R389 HydrophobicContact CB-CB 4.02Å; H357-R389 HydrophobicContact CB-CG 3.91Å; H357-R389 PolarHBondContact CD2-NE 2.55Å; H357-R389 PolarHBondContact CD2-NH2 3.25Å; H357-R389 VanDerWaalsContact NE2-CZ 3.33Å; H357-R389 PolarHBondContact NE2-NH1 3.02Å; H357-D414 IonicContact NE2-OD1 3.24Å
358K96.8Very high97.6Very high48 Ų4853.2 Ų53.221%0.20927%0.266CS..  trans-101.8143.5-178.7-59.9-65.7-172.1174.90110.2D339 E360 D361 D432D339-K358 HydrophobicContact CB-CD 4.2Å; D339-K358 WeakPolarHBondContact OD2-CE 3.47Å; D339-K358 IonicContact OD2-NZ 3.14Å; D339-K358 PolarHBondContact OD2-NZ 3.5Å; K358-E360 PolarHBondContact O-N 3.24Å; K358-D361 PolarHBondContact N-OD2 2.9Å; K358-D361 WeakPolarHBondContact O-CB 3.37Å; K358-D361 PolarHBondContact O-N 3.01Å; K358-D432 IonicContact NZ-OD2 2.72Å
359P97.9Very high97.8Very high0 Ų058 Ų580%028%0.281CS..THydrogen-bonded Turntrans-58.2-19.6-176.7-31.441.8000116.1L365 I368 V375 G379 V381P359-L365 WeakPolarHBondContact O-CA 3.35Å; P359-L365 WeakPolarHBondContact O-CB 3.41Å; P359-I368 HydrophobicContact CB-CD1 3.89Å; P359-V375 HydrophobicContact CB-CG1 3.72Å; P359-V375 HydrophobicContact CB-CG2 3.93Å; P359-G379 WeakPolarHBondContact CB-O 3.46Å; P359-G379 VanDerWaalsContact CG-O 3.23Å; P359-G379 WeakPolarHBondContact CG-O 3.41Å; P359-V381 HydrophobicContact CB-CG2 3.9Å; P359-V381 HydrophobicContact CG-CG2 3.65Å
360E96.6Very high97.8Very high104 Ų10457.7 Ų57.749%0.48629%0.286SS..THydrogen-bonded Turntrans-82.7-17178.2-52.397127.900114.2K358 G379K358-E360 PolarHBondContact O-N 3.24Å; E360-G379 VanDerWaalsContact CD-CA 3.47Å; E360-G379 VanDerWaalsContact OE1-CA 3.3Å; E360-G379 WeakPolarHBondContact OE1-CA 3.43Å
361D96.8Very high97.7Very high73 Ų7357.3 Ų57.339%0.3928%0.283SS..SBendtrans-62.3135.9-179.6-71.3-49.7000111K358 L363 E364 L365K358-D361 PolarHBondContact N-OD2 2.9Å; K358-D361 WeakPolarHBondContact O-CB 3.37Å; K358-D361 PolarHBondContact O-N 3.01Å; D361-L363 VanDerWaalsContact C-N 3.26Å; D361-L363 PolarHBondContact O-N 2.66Å; D361-E364 HydrophobicContact CB-CB 4.17Å; D361-E364 HydrophobicContact CB-CG 3.96Å; D361-E364 PolarHBondContact O-N 3.31Å; D361-L365 VanDerWaalsContact O-CB 3.29Å; D361-L365 WeakPolarHBondContact O-CB 3.39Å; D361-L365 PolarHBondContact O-N 2.78Å
362E97.3Very high97.7Very high178 Ų17858.4 Ų58.483%0.83231%0.305SS*.Hα-helixtrans-52.8-39.4-166.7-64.3-172.4160.300114.4A366E362-A366 VanDerWaalsContact O-CB 3.23Å; E362-A366 WeakPolarHBondContact O-CB 3.45Å; E362-A366 PolarHBondContact O-N 2.71Å; E362-A366 VanDerWaalsContact O-N 3.17Å
363L97Very high97.5Very high141 Ų14156 Ų5674%0.73829%0.293SS*.Hα-helixtrans-74.9-38.5179.1-59.8179.4000112.6D361 R367D361-L363 VanDerWaalsContact C-N 3.26Å; D361-L363 PolarHBondContact O-N 2.66Å; L363-R367 PolarHBondContact O-N 3.48Å
364E98.3Very high97.4Very high8 Ų863.6 Ų63.64%0.03733%0.326CS..Hα-helixtrans-72.9-47.7-178.7-58.7-63.4120.300110H357 D361 A366 R367 I368 S388 R389H357-E364 IonicContact CD2-OE1 3.58Å; D361-E364 HydrophobicContact CB-CB 4.17Å; D361-E364 HydrophobicContact CB-CG 3.96Å; D361-E364 PolarHBondContact O-N 3.31Å; E364-A366 VanDerWaalsContact C-N 3.28Å; E364-A366 PolarHBondContact O-N 3.08Å; E364-R367 PolarHBondContact O-N 3.05Å; E364-R367 VanDerWaalsContact O-N 3.13Å; E364-R367 IonicContact OE1-NH1 3.53Å; E364-R367 PolarHBondContact OE1-NH1 3.32Å; E364-R367 IonicContact OE2-CZ 2.76Å; E364-R367 IonicContact OE2-NH1 2.63Å; E364-R367 PolarHBondContact OE2-NH1 3.31Å; E364-R367 IonicContact OE2-NH2 2.75Å; E364-R367 PolarHBondContact OE2-NH2 2.86Å; E364-I368 WeakPolarHBondContact O-CD1 3.27Å; E364-I368 VanDerWaalsContact O-CG1 3.27Å; E364-I368 WeakPolarHBondContact O-CG1 3.31Å; E364-I368 PolarHBondContact O-N 3.14Å; E364-S388 VanDerWaalsContact CD-OG 3.32Å; E364-S388 WeakPolarHBondContact CG-OG 3.46Å; E364-S388 VanDerWaalsContact OE2-CB 3.29Å; E364-S388 WeakPolarHBondContact OE2-CB 3.32Å; E364-S388 PolarHBondContact OE2-OG 3.4Å; E364-R389 IonicContact OE1-CZ 2.75Å; E364-R389 VanDerWaalsContact OE1-CZ 3.24Å; E364-R389 IonicContact OE1-NE 3.59Å; E364-R389 PolarHBondContact OE1-NE 3.48Å; E364-R389 IonicContact OE1-NH2 3.38Å; E364-R389 PolarHBondContact OE1-NH2 3.05Å; E364-R389 VanDerWaalsContact OE2-CG 3.27Å; E364-R389 WeakPolarHBondContact OE2-CG 3.32Å; E364-R389 IonicContact OE2-NE 2.72Å; E364-R389 PolarHBondContact OE2-NE 3.27Å
365L98.1Very high97.4Very high42 Ų4264.9 Ų64.922%0.2233%0.334CS..Hα-helixtrans-56.7-39.7173.1-17660.7000112.2P359 D361 K369 V375P359-L365 WeakPolarHBondContact O-CA 3.35Å; P359-L365 WeakPolarHBondContact O-CB 3.41Å; D361-L365 VanDerWaalsContact O-CB 3.29Å; D361-L365 WeakPolarHBondContact O-CB 3.39Å; D361-L365 PolarHBondContact O-N 2.78Å; L365-K369 HydrophobicContact CD1-CD 4.32Å; L365-K369 HydrophobicContact CG-CD 4.29Å; L365-K369 WeakPolarHBondContact O-CB 3.3Å; L365-K369 WeakPolarHBondContact O-CD 3.15Å; L365-K369 VanDerWaalsContact O-CG 3.27Å; L365-K369 WeakPolarHBondContact O-CG 3.41Å; L365-K369 PolarHBondContact O-N 3.11Å; L365-K369 VanDerWaalsContact O-N 3.15Å; L365-V375 HydrophobicContact CD1-CB 3.72Å; L365-V375 HydrophobicContact CD1-CG1 4.41Å; L365-V375 HydrophobicContact CD1-CG2 3.55Å
366A98.2Very high97.4Very high44 Ų4460.7 Ų60.736%0.36432%0.322SS..Hα-helixtrans-66.7-45.4174.700000111.8E362 E364 K369 N370E362-A366 VanDerWaalsContact O-CB 3.23Å; E362-A366 WeakPolarHBondContact O-CB 3.45Å; E362-A366 PolarHBondContact O-N 2.71Å; E362-A366 VanDerWaalsContact O-N 3.17Å; E364-A366 VanDerWaalsContact C-N 3.28Å; E364-A366 PolarHBondContact O-N 3.08Å; A366-K369 PolarHBondContact O-N 3.33Å; A366-N370 WeakPolarHBondContact O-CB 3.1Å; A366-N370 PolarHBondContact O-N 2.69Å; A366-N370 PolarHBondContact O-ND2 2.76Å
367R98.4Very high97.1Very high30 Ų3068.9 Ų68.911%0.11336%0.362CS..Hα-helixtrans-61.9-47.9176.4-170-16767-116.4-9.2111.6L363 E364 K369 N370 A371 S388 E405 E406 Q407 M408L363-R367 PolarHBondContact O-N 3.48Å; E364-R367 PolarHBondContact O-N 3.05Å; E364-R367 VanDerWaalsContact O-N 3.13Å; E364-R367 IonicContact OE1-NH1 3.53Å; E364-R367 PolarHBondContact OE1-NH1 3.32Å; E364-R367 IonicContact OE2-CZ 2.76Å; E364-R367 IonicContact OE2-NH1 2.63Å; E364-R367 PolarHBondContact OE2-NH1 3.31Å; E364-R367 IonicContact OE2-NH2 2.75Å; E364-R367 PolarHBondContact OE2-NH2 2.86Å; R367-K369 VanDerWaalsContact C-N 3.32Å; R367-K369 PolarHBondContact O-N 2.81Å; R367-N370 PolarHBondContact O-N 3.05Å; R367-A371 WeakPolarHBondContact O-CB 3.11Å; R367-A371 PolarHBondContact O-N 2.75Å; R367-S388 PolarHBondContact NH2-O 2.95Å; R367-E405 VanDerWaalsContact CD-O 3.26Å; R367-E405 WeakPolarHBondContact CD-O 3.44Å; R367-E406 WeakPolarHBondContact CG-O 3.42Å; R367-Q407 VanDerWaalsContact CD-O 3.3Å; R367-Q407 WeakPolarHBondContact CD-O 3.26Å; R367-Q407 PolarHBondContact NE-O 2.88Å; R367-M408 PolarHBondContact NH2-O 3.3Å
368I98.5Very high96.7Very high0 Ų073.4 Ų73.40%039%0.386CS..Hα-helixtrans-55.9-47.3178.8-68.7156.7000110.7P359 E364 A371 G372 G373 V375 V381 M408P359-I368 HydrophobicContact CB-CD1 3.89Å; E364-I368 WeakPolarHBondContact O-CD1 3.27Å; E364-I368 VanDerWaalsContact O-CG1 3.27Å; E364-I368 WeakPolarHBondContact O-CG1 3.31Å; E364-I368 PolarHBondContact O-N 3.14Å; I368-A371 PolarHBondContact O-N 3.46Å; I368-G372 PolarHBondContact O-N 2.68Å; I368-G373 WeakPolarHBondContact O-CA 3.45Å; I368-G373 PolarHBondContact O-N 3.31Å; I368-V375 HydrophobicContact CB-CG2 4.3Å; I368-V375 HydrophobicContact CD1-CG2 3.85Å; I368-V375 HydrophobicContact CG2-CG2 3.79Å; I368-V381 HydrophobicContact CD1-CG2 3.81Å; I368-V381 HydrophobicContact CG1-CG2 4.39Å; I368-V381 HydrophobicContact CG2-CG1 4.12Å; I368-M408 VanDerWaalsContact CG1-O 3.31Å; I368-M408 WeakPolarHBondContact CG1-O 3.5Å
369K97.8Very high96.6Very high119 Ų11971.2 Ų71.252%0.51738%0.377SS..Hα-helixtrans-64.2-44.1177-73.6169-179.7168.10112.7L365 A366 R367 A371 G372 G373L365-K369 HydrophobicContact CD1-CD 4.32Å; L365-K369 HydrophobicContact CG-CD 4.29Å; L365-K369 WeakPolarHBondContact O-CB 3.3Å; L365-K369 WeakPolarHBondContact O-CD 3.15Å; L365-K369 VanDerWaalsContact O-CG 3.27Å; L365-K369 WeakPolarHBondContact O-CG 3.41Å; L365-K369 PolarHBondContact O-N 3.11Å; L365-K369 VanDerWaalsContact O-N 3.15Å; A366-K369 PolarHBondContact O-N 3.33Å; R367-K369 VanDerWaalsContact C-N 3.32Å; R367-K369 PolarHBondContact O-N 2.81Å; K369-A371 PolarHBondContact O-N 3.24Å; K369-G372 PolarHBondContact O-N 2.93Å; K369-G373 WeakPolarHBondContact CA-O 3.27Å
370N97.6Very high96.5Very high132 Ų13274.8 Ų74.871%0.70639%0.391SS*.Hα-helixtrans-63.6-29.5176.7-69.1-17.1000112.4A366 R367 G372A366-N370 WeakPolarHBondContact O-CB 3.1Å; A366-N370 PolarHBondContact O-N 2.69Å; A366-N370 PolarHBondContact O-ND2 2.76Å; R367-N370 PolarHBondContact O-N 3.05Å; N370-G372 VanDerWaalsContact C-N 3.26Å; N370-G372 PolarHBondContact O-N 2.81Å
371A97.6Very high96.5Very high5 Ų569.9 Ų69.94%0.04137%0.368CS..THydrogen-bonded Turntrans-78-4174.500000114.6R367 I368 K369 N399 L402 M408R367-A371 WeakPolarHBondContact O-CB 3.11Å; R367-A371 PolarHBondContact O-N 2.75Å; I368-A371 PolarHBondContact O-N 3.46Å; K369-A371 PolarHBondContact O-N 3.24Å; A371-N399 PolarHBondContact O-ND2 2.86Å; A371-L402 HydrophobicContact CB-CD1 3.9Å; A371-M408 HydrophobicContact CB-CB 4.37Å; A371-M408 HydrophobicContact CB-CG 3.56Å
372G96.7Very high96.4Very high64 Ų6468.6 Ų68.666%0.6636%0.361SS*.THydrogen-bonded Turntrans94.10.8-177.900000114.6I368 K369 N370I368-G372 PolarHBondContact O-N 2.68Å; K369-G372 PolarHBondContact O-N 2.93Å; N370-G372 VanDerWaalsContact C-N 3.26Å; N370-G372 PolarHBondContact O-N 2.81Å
373G96.1Very high96.2Very high5 Ų561.7 Ų61.75%0.05234%0.337CS..  trans-83165.2179.500000114.1I368 K369 N382 M408I368-G373 WeakPolarHBondContact O-CA 3.45Å; I368-G373 PolarHBondContact O-N 3.31Å; K369-G373 WeakPolarHBondContact CA-O 3.27Å; G373-N382 WeakPolarHBondContact CA-OD1 3.35Å; G373-M408 WeakPolarHBondContact CA-SD 3.46Å
374K96.6Very high95.9Very high161 Ų16156 Ų5670%0.731%0.313SS*.  trans-120.6153.1173.8-62.5170.3-173.9168.90108.7N382K374-N382 PolarHBondContact N-OD1 3.01Å; K374-N382 PolarHBondContact O-N 2.99Å; K374-N382 PolarHBondContact O-OD1 3.09Å
375V97.4Very high95.6Very high34 Ų3456.8 Ų56.821%0.20632%0.317CS..BIsolated β-bridgetrans-116.8129.8170.9-179.40000107.9P359 L365 I368 R380P359-V375 HydrophobicContact CB-CG1 3.72Å; P359-V375 HydrophobicContact CB-CG2 3.93Å; L365-V375 HydrophobicContact CD1-CB 3.72Å; L365-V375 HydrophobicContact CD1-CG1 4.41Å; L365-V375 HydrophobicContact CD1-CG2 3.55Å; I368-V375 HydrophobicContact CB-CG2 4.3Å; I368-V375 HydrophobicContact CD1-CG2 3.85Å; I368-V375 HydrophobicContact CG2-CG2 3.79Å; V375-R380 WeakPolarHBondContact CA-O 3.24Å
376T95.5Very high95.4Very high48 Ų4857.8 Ų57.829%0.29432%0.323SS..  trans-78.5168.9-179.759.70000112.1D378 G379 R380T376-D378 WeakPolarHBondContact CB-OD1 3.29Å; T376-D378 PolarHBondContact O-N 3.08Å; T376-D378 PolarHBondContact OG1-OD1 3.22Å; T376-G379 PolarHBondContact O-N 3.21Å; T376-G379 VanDerWaalsContact O-N 3.07Å; T376-R380 PolarHBondContact N-O 3.21Å; T376-R380 WeakPolarHBondContact OG1-CA 3.38Å; T376-R380 WeakPolarHBondContact OG1-CB 3.42Å; T376-R380 PolarHBondContact OG1-N 2.57Å; T376-R380 PolarHBondContact OG1-O 3.25Å
377M91.4Very high95.3Very high205 Ų20556.2 Ų56.2100%1.0131%0.309SS*.THydrogen-bonded Turntrans-69.1-11.9177.9-63.2-68.4171.200113.8
378D90.8Very high95.2Very high100 Ų10054.8 Ų54.854%0.53530%0.303SS..THydrogen-bonded Turntrans-103.818.9171.371-52.5000113T376 R380T376-D378 WeakPolarHBondContact CB-OD1 3.29Å; T376-D378 PolarHBondContact O-N 3.08Å; T376-D378 PolarHBondContact OG1-OD1 3.22Å; D378-R380 WeakPolarHBondContact OD2-CD 3.5Å; D378-R380 IonicContact OD2-NE 3.06Å; D378-R380 PolarHBondContact OD2-NE 3.23Å
379G93.3Very high95.2Very high2 Ų255.9 Ų55.92%0.02131%0.307CS..SBendtrans80.920.9169.400000115.7P359 E360 T376P359-G379 WeakPolarHBondContact CB-O 3.46Å; P359-G379 VanDerWaalsContact CG-O 3.23Å; P359-G379 WeakPolarHBondContact CG-O 3.41Å; E360-G379 VanDerWaalsContact CD-CA 3.47Å; E360-G379 VanDerWaalsContact OE1-CA 3.3Å; E360-G379 WeakPolarHBondContact OE1-CA 3.43Å; T376-G379 PolarHBondContact O-N 3.21Å; T376-G379 VanDerWaalsContact O-N 3.07Å
380R96.2Very high95.3Very high76 Ų7650.2 Ų50.229%0.28728%0.283SS..  trans-104.5131.5-175.4-60.2-178.1178.8-74.7-16.9114.1V375 T376 D378 N382 G383 G384 L385 N386V375-R380 WeakPolarHBondContact CA-O 3.24Å; T376-R380 PolarHBondContact N-O 3.21Å; T376-R380 WeakPolarHBondContact OG1-CA 3.38Å; T376-R380 WeakPolarHBondContact OG1-CB 3.42Å; T376-R380 PolarHBondContact OG1-N 2.57Å; T376-R380 PolarHBondContact OG1-O 3.25Å; D378-R380 WeakPolarHBondContact OD2-CD 3.5Å; D378-R380 IonicContact OD2-NE 3.06Å; D378-R380 PolarHBondContact OD2-NE 3.23Å; R380-N382 PolarHBondContact O-N 2.75Å; R380-G383 WeakPolarHBondContact CD-O 3.42Å; R380-G383 PolarHBondContact O-N 3.33Å; R380-G384 WeakPolarHBondContact CD-O 3.12Å; R380-G384 PolarHBondContact NH1-O 2.84Å; R380-L385 CarbonylContact C-O 3.59Å; R380-L385 VanDerWaalsContact CA-O 3.24Å; R380-L385 WeakPolarHBondContact CA-O 3.45Å; R380-N386 HydrophobicContact CG-CB 4.22Å; R380-N386 PolarHBondContact NH1-OD1 2.68Å; R380-N386 PolarHBondContact NH2-OD1 3.43Å
381V96.6Very high95.3Very high0 Ų043.9 Ų43.90%025%0.249CC..BIsolated β-bridgetrans-66.1115.2169.5-173.50000108.9P359 I368 G383 G384 L385 Y396 M408 I409P359-V381 HydrophobicContact CB-CG2 3.9Å; P359-V381 HydrophobicContact CG-CG2 3.65Å; I368-V381 HydrophobicContact CD1-CG2 3.81Å; I368-V381 HydrophobicContact CG1-CG2 4.39Å; I368-V381 HydrophobicContact CG2-CG1 4.12Å; V381-G383 PolarHBondContact O-N 2.84Å; V381-G384 PolarHBondContact O-N 3.25Å; V381-L385 PolarHBondContact N-O 3.14Å; V381-Y396 HydrophobicContact CB-CE1 4.4Å; V381-Y396 HydrophobicContact CG1-CD1 3.91Å; V381-Y396 HydrophobicContact CG1-CE1 4.08Å; V381-M408 HydrophobicContact CG1-CB 4.19Å; V381-I409 HydrophobicContact CB-CD1 4.38Å; V381-I409 HydrophobicContact CG1-CD1 4.47Å; V381-I409 HydrophobicContact CG2-CD1 3.91Å
382N95.1Very high95.3Very high47 Ų4743.7 Ų43.725%0.25125%0.247SC..THydrogen-bonded Turntrans50.426.2-175-57.8-17.3000114.3G373 K374 R380 G384 M408G373-N382 WeakPolarHBondContact CA-OD1 3.35Å; K374-N382 PolarHBondContact N-OD1 3.01Å; K374-N382 PolarHBondContact O-N 2.99Å; K374-N382 PolarHBondContact O-OD1 3.09Å; R380-N382 PolarHBondContact O-N 2.75Å; N382-G384 VanDerWaalsContact C-N 3.28Å; N382-G384 PolarHBondContact O-N 2.71Å; N382-M408 PolarHBondContact ND2-SD 3.13Å; N382-M408 VanDerWaalsContact ND2-SD 3.4Å
383G92.3Very high95.4Very high32 Ų3240.7 Ų40.733%0.3322%0.216SC..THydrogen-bonded Turntrans80-2.6-175.800000115.6R380 V381R380-G383 WeakPolarHBondContact CD-O 3.42Å; R380-G383 PolarHBondContact O-N 3.33Å; V381-G383 PolarHBondContact O-N 2.84Å
384G91.1Very high95.4Very high23 Ų2342.2 Ų42.224%0.23722%0.222CC..THydrogen-bonded Turntrans-94.6-92.2178.600000113.3R380 V381 N382R380-G384 WeakPolarHBondContact CD-O 3.12Å; R380-G384 PolarHBondContact NH1-O 2.84Å; V381-G384 PolarHBondContact O-N 3.25Å; N382-G384 VanDerWaalsContact C-N 3.28Å; N382-G384 PolarHBondContact O-N 2.71Å
385L92.8Very high95.3Very high23 Ų2337.1 Ų37.112%0.1220%0.2CC..BIsolated β-bridgetrans-74.7134.6-172.2-65.7171.5000112.9R380 V381 L387 D393 Y396 I409R380-L385 CarbonylContact C-O 3.59Å; R380-L385 VanDerWaalsContact CA-O 3.24Å; R380-L385 WeakPolarHBondContact CA-O 3.45Å; V381-L385 PolarHBondContact N-O 3.14Å; L385-L387 VanDerWaalsContact C-N 3.34Å; L385-D393 HydrophobicContact CD1-CB 4.08Å; L385-D393 WeakPolarHBondContact CD1-OD1 3.08Å; L385-Y396 HydrophobicContact CD1-CD2 3.59Å; L385-Y396 HydrophobicContact CD1-CE1 4.46Å; L385-Y396 HydrophobicContact CD1-CE2 3.34Å; L385-Y396 HydrophobicContact CD1-CG 4.27Å; L385-Y396 HydrophobicContact CG-CD2 4.49Å; L385-Y396 HydrophobicContact CG-CE2 3.78Å; L385-I409 HydrophobicContact CB-CD1 4.48Å; L385-I409 HydrophobicContact CD1-CD1 3.99Å; L385-I409 HydrophobicContact CD1-CG1 3.81Å
386N93.6Very high95.3Very high64 Ų6436 Ų3634%0.34219%0.192SC..SBendtrans-95.224.9175.656.1-95.7000113.8R380R380-N386 HydrophobicContact CG-CB 4.22Å; R380-N386 PolarHBondContact NH1-OD1 2.68Å; R380-N386 PolarHBondContact NH2-OD1 3.43Å
387L95.3Very high95.4Very high11 Ų1134.7 Ų34.76%0.05818%0.182CC..  trans-137.3155.9177.258.181.7000108.1T321 L385 A390 I409T321-L387 HydrophobicContact CG2-CD2 4.12Å; L385-L387 VanDerWaalsContact C-N 3.34Å; L387-A390 HydrophobicContact CD1-CB 3.84Å; L387-I409 HydrophobicContact CD1-CD1 4.36Å; L387-I409 WeakPolarHBondContact O-CD1 3.38Å
388S97.8Very high95.5Very high0 Ų031.5 Ų31.50%016%0.159CC..SBendtrans-110.7-11.6-178.769.40000114.3H357 E364 R367 I409 S410H357-S388 VanDerWaalsContact C-OG 3.27Å; H357-S388 WeakPolarHBondContact CB-OG 3.37Å; H357-S388 PolarHBondContact O-N 3.02Å; H357-S388 VanDerWaalsContact O-N 3.11Å; H357-S388 PolarHBondContact O-OG 3.46Å; H357-S388 VanDerWaalsContact O-OG 3.11Å; E364-S388 VanDerWaalsContact CD-OG 3.32Å; E364-S388 WeakPolarHBondContact CG-OG 3.46Å; E364-S388 VanDerWaalsContact OE2-CB 3.29Å; E364-S388 WeakPolarHBondContact OE2-CB 3.32Å; E364-S388 PolarHBondContact OE2-OG 3.4Å; R367-S388 PolarHBondContact NH2-O 2.95Å; S388-I409 WeakPolarHBondContact O-CA 3.4Å; S388-S410 PolarHBondContact O-N 2.86Å
389R98.6Very high95.8Very high22 Ų2229.1 Ų29.18%0.08315%0.146CC..BIsolated β-bridgetrans-138.3133.8179.5-61.4-159.1-160.7168.318.8112.5A337 G338 H357 E364 S410 M412 D414A337-R389 CarbonylContact C-O 3.58Å; A337-R389 HydrophobicContact CB-CB 4.08Å; G338-R389 WeakPolarHBondContact CA-O 3.34Å; G338-R389 PolarHBondContact N-O 3.12Å; G338-R389 VanDerWaalsContact N-O 3.14Å; H357-R389 HydrophobicContact CB-CB 4.02Å; H357-R389 HydrophobicContact CB-CG 3.91Å; H357-R389 PolarHBondContact CD2-NE 2.55Å; H357-R389 PolarHBondContact CD2-NH2 3.25Å; H357-R389 VanDerWaalsContact NE2-CZ 3.33Å; H357-R389 PolarHBondContact NE2-NH1 3.02Å; E364-R389 IonicContact OE1-CZ 2.75Å; E364-R389 VanDerWaalsContact OE1-CZ 3.24Å; E364-R389 IonicContact OE1-NE 3.59Å; E364-R389 PolarHBondContact OE1-NE 3.48Å; E364-R389 IonicContact OE1-NH2 3.38Å; E364-R389 PolarHBondContact OE1-NH2 3.05Å; E364-R389 VanDerWaalsContact OE2-CG 3.27Å; E364-R389 WeakPolarHBondContact OE2-CG 3.32Å; E364-R389 IonicContact OE2-NE 2.72Å; E364-R389 PolarHBondContact OE2-NE 3.27Å; R389-S410 CarbonylContact C-O 3.59Å; R389-S410 WeakPolarHBondContact CA-O 3.23Å; R389-S410 WeakPolarHBondContact CB-O 3.49Å; R389-M412 VanDerWaalsContact CD-O 3.3Å; R389-M412 WeakPolarHBondContact CD-O 3.27Å; R389-M412 PolarHBondContact NH1-O 3.08Å; R389-D414 IonicContact CZ-OD1 3.24Å; R389-D414 VanDerWaalsContact CZ-OD1 3.28Å; R389-D414 IonicContact NH1-OD1 3.38Å; R389-D414 PolarHBondContact NH1-OD1 2.78Å; R389-D414 IonicContact NH2-OD1 2.75Å; R389-D414 PolarHBondContact NH2-OD1 2.65Å
390A98.4Very high95.8Very high0 Ų039.1 Ų39.10%019%0.189CC..  trans-167.4161.9-17700000111.6T320 L387 D393 K397 I409 S410 S411T320-A390 CarbonylContact O-C 3.57Å; T320-A390 WeakPolarHBondContact O-CA 3.03Å; T320-A390 WeakPolarHBondContact O-CB 3.38Å; L387-A390 HydrophobicContact CD1-CB 3.84Å; A390-D393 WeakPolarHBondContact CB-OD2 3.2Å; A390-K397 PolarHBondContact O-NZ 3.25Å; A390-I409 HydrophobicContact CB-CG2 3.99Å; A390-S410 PolarHBondContact N-O 2.86Å; A390-S410 VanDerWaalsContact N-O 3.08Å; A390-S411 WeakPolarHBondContact O-CA 3.47Å; A390-S411 WeakPolarHBondContact O-CB 3.39Å
391I98.7Very high95.8Very high0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-93.5138.8165.4-62.4164.4000107.7V64 F95 I98 D99 V102 G319 T320 A322V64-I391 HydrophobicContact CG1-CG2 4.24Å; F95-I391 HydrophobicContact CD1-CD1 4.16Å; I98-I391 HydrophobicContact CG2-CD1 3.79Å; I98-I391 HydrophobicContact CG2-CG1 4.37Å; I98-I391 HydrophobicContact CG2-CG2 4.13Å; D99-I391 HydrophobicContact CB-CG2 4.27Å; D99-I391 VanDerWaalsContact OD1-CA 3.29Å; D99-I391 WeakPolarHBondContact OD1-CA 3.36Å; V102-I391 HydrophobicContact CG2-CG2 4.22Å; G319-I391 CarbonylContact C-O 3.49Å; G319-I391 WeakPolarHBondContact CA-O 3.49Å; T320-I391 HydrophobicContact CG2-CB 4.19Å; T320-I391 PolarHBondContact N-O 3.29Å; T320-I391 PolarHBondContact O-N 3.03Å; A322-I391 HydrophobicContact CB-CD1 3.82Å
392G97.9Very high95.9Very high0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans90.3-143-167.100000111.4D99 G315 H394 K397D99-G392 PolarHBondContact OD1-N 2.99Å; G315-G392 CarbonylContact O-C 3.56Å; G392-H394 PolarHBondContact O-N 2.98Å; G392-H394 VanDerWaalsContact O-N 3.09Å; G392-K397 WeakPolarHBondContact O-CD 3.33Å; G392-K397 VanDerWaalsContact O-CE 3.24Å; G392-K397 WeakPolarHBondContact O-CE 3.25Å; G392-K397 PolarHBondContact O-NZ 2.91Å
393D97.5Very high95.9Very high1 Ų140.7 Ų40.71%0.00522%0.219CC..  trans52.232.7179.5-61.3-56.2000114H59 G315 S316 S318 L385 A390 F395 Y396 I409H59-D393 IonicContact CD2-OD1 3.64Å; H59-D393 IonicContact CE1-OD1 2.61Å; H59-D393 IonicContact CE1-OD2 2.65Å; H59-D393 PolarHBondContact CE1-OD2 2.95Å; H59-D393 IonicContact NE2-OD1 2.77Å; H59-D393 PolarHBondContact NE2-OD1 2.83Å; H59-D393 IonicContact NE2-OD2 2.78Å; H59-D393 PolarHBondContact NE2-OD2 2.85Å; G315-D393 PolarHBondContact O-N 3.39Å; S316-D393 CarbonylContact O-C 3.45Å; S316-D393 VanDerWaalsContact O-CA 3.31Å; S316-D393 WeakPolarHBondContact O-CA 3.31Å; S318-D393 PolarHBondContact O-N 2.94Å; L385-D393 HydrophobicContact CD1-CB 4.08Å; L385-D393 WeakPolarHBondContact CD1-OD1 3.08Å; A390-D393 WeakPolarHBondContact CB-OD2 3.2Å; D393-F395 PolarHBondContact O-N 3.17Å; D393-Y396 HydrophobicContact CB-CD2 4.23Å; D393-Y396 PolarHBondContact O-N 2.97Å; D393-I409 HydrophobicContact CB-CB 4.4Å; D393-I409 HydrophobicContact CB-CG1 4.5Å; D393-I409 HydrophobicContact CB-CG2 4.08Å
394H96.5Very high96Very high38 Ų3842.3 Ų42.318%0.17622%0.223CC..THydrogen-bonded Turntrans-66-5.8-175.1-74.5-76.6000114.4D99 T103 G315 S316 G392 Y396 K397 R398D99-H394 PolarHBondContact O-NE2 3.09Å; D99-H394 IonicContact OD1-NE2 3.7Å; D99-H394 IonicContact OD2-NE2 3.68Å; D99-H394 PolarHBondContact OD2-NE2 3.46Å; T103-H394 HydrophobicContact CG2-CB 4.22Å; T103-H394 VanDerWaalsContact CG2-CG 3.48Å; T103-H394 WeakPolarHBondContact CG2-ND1 3.45Å; G315-H394 WeakPolarHBondContact O-CB 3.2Å; G315-H394 PolarHBondContact O-CD2 2.98Å; G315-H394 VanDerWaalsContact O-CD2 3.25Å; G315-H394 PolarHBondContact O-N 2.91Å; S316-H394 PolarHBondContact O-N 3.29Å; G392-H394 PolarHBondContact O-N 2.98Å; G392-H394 VanDerWaalsContact O-N 3.09Å; H394-Y396 VanDerWaalsContact C-N 3.29Å; H394-K397 WeakPolarHBondContact CE1-CB 3.48Å; H394-K397 VanDerWaalsContact CE1-CD 3.5Å; H394-K397 WeakPolarHBondContact CE1-CD 3.4Å; H394-K397 PolarHBondContact O-N 3.27Å; H394-R398 WeakPolarHBondContact O-CG 3.28Å; H394-R398 PolarHBondContact O-NE 2.93Å
395F95.1Very high96.2Very high54 Ų5445.2 Ų45.224%0.23723%0.231CC..THydrogen-bonded Turntrans-55.4-43.3160.5-170.2-83.6000112.4C304 P306 S316 D393 R398C304-F395 VanDerWaalsContact O-CZ 3.32Å; C304-F395 WeakPolarHBondContact O-CZ 2.99Å; P306-F395 HydrophobicContact CB-CD2 4.42Å; P306-F395 HydrophobicContact CG-CD1 3.82Å; P306-F395 HydrophobicContact CG-CD2 3.94Å; P306-F395 HydrophobicContact CG-CE1 3.96Å; P306-F395 HydrophobicContact CG-CE2 4.06Å; P306-F395 HydrophobicContact CG-CG 3.83Å; P306-F395 HydrophobicContact CG-CZ 4.08Å; S316-F395 WeakPolarHBondContact O-CB 3.11Å; S316-F395 PolarHBondContact O-N 2.97Å; S316-F395 PolarHBondContact OG-N 2.85Å; D393-F395 PolarHBondContact O-N 3.17Å; F395-R398 WeakPolarHBondContact O-CD 3.48Å; F395-R398 WeakPolarHBondContact O-CG 3.11Å
396Y96.8Very high96.4Very high11 Ų1148.6 Ų48.64%0.04325%0.246CC..THydrogen-bonded Turntrans-88.8-1.6-175.4-60.7-96.4000113.6P306 V381 L385 D393 H394 M408 I409P306-Y396 HydrophobicContact CG-CE2 4.41Å; V381-Y396 HydrophobicContact CB-CE1 4.4Å; V381-Y396 HydrophobicContact CG1-CD1 3.91Å; V381-Y396 HydrophobicContact CG1-CE1 4.08Å; L385-Y396 HydrophobicContact CD1-CD2 3.59Å; L385-Y396 HydrophobicContact CD1-CE1 4.46Å; L385-Y396 HydrophobicContact CD1-CE2 3.34Å; L385-Y396 HydrophobicContact CD1-CG 4.27Å; L385-Y396 HydrophobicContact CG-CD2 4.49Å; L385-Y396 HydrophobicContact CG-CE2 3.78Å; D393-Y396 HydrophobicContact CB-CD2 4.23Å; D393-Y396 PolarHBondContact O-N 2.97Å; H394-Y396 VanDerWaalsContact C-N 3.29Å; Y396-M408 HydrophobicContact CD1-CE 4.48Å; Y396-M408 WeakPolarHBondContact O-CE 3.23Å; Y396-I409 HydrophobicContact CD1-CG1 4.24Å; Y396-I409 HydrophobicContact CD2-CG1 4.23Å; Y396-I409 HydrophobicContact CG-CG1 3.76Å
397K96.8Very high96.6Very high20 Ų2046 Ų469%0.08723%0.232CC..THydrogen-bonded Turntrans-11026.4-174.9-61.7174175.9171.90113.3D99 A390 G392 H394 Q407 I409D99-K397 IonicContact OD1-NZ 2.93Å; D99-K397 PolarHBondContact OD1-NZ 3Å; D99-K397 IonicContact OD2-NZ 2.68Å; D99-K397 PolarHBondContact OD2-NZ 2.79Å; A390-K397 PolarHBondContact O-NZ 3.25Å; G392-K397 WeakPolarHBondContact O-CD 3.33Å; G392-K397 VanDerWaalsContact O-CE 3.24Å; G392-K397 WeakPolarHBondContact O-CE 3.25Å; G392-K397 PolarHBondContact O-NZ 2.91Å; H394-K397 WeakPolarHBondContact CE1-CB 3.48Å; H394-K397 VanDerWaalsContact CE1-CD 3.5Å; H394-K397 WeakPolarHBondContact CE1-CD 3.4Å; H394-K397 PolarHBondContact O-N 3.27Å; K397-Q407 HydrophobicContact CB-CB 4.29Å; K397-Q407 HydrophobicContact CB-CG 4.03Å; K397-Q407 HydrophobicContact CG-CB 4.04Å; K397-Q407 HydrophobicContact CG-CG 4.22Å; K397-Q407 PolarHBondContact O-OE1 3.36Å; K397-I409 WeakPolarHBondContact CE-O 3.39Å; K397-I409 WeakPolarHBondContact CG-O 3.38Å
398R94.8Very high96.8Very high137 Ų13746.6 Ų46.652%0.51724%0.235SC..  trans-92.71.4-171.8-60.3179.7177.8174.70.3114.3S316 H394 F395 K400S316-R398 PolarHBondContact OG-NH2 3.06Å; H394-R398 WeakPolarHBondContact O-CG 3.28Å; H394-R398 PolarHBondContact O-NE 2.93Å; F395-R398 WeakPolarHBondContact O-CD 3.48Å; F395-R398 WeakPolarHBondContact O-CG 3.11Å; R398-K400 PolarHBondContact O-N 3.49Å; R398-K400 VanDerWaalsContact O-N 3.12Å
399N95.7Very high96.8Very high50 Ų5046.6 Ų46.627%0.26724%0.235SC..  trans-78.998.9-177.6-170.7-25.2000111.3A371 A401 L402 Q407A371-N399 PolarHBondContact O-ND2 2.86Å; N399-A401 PolarHBondContact O-N 2.58Å; N399-A401 VanDerWaalsContact O-N 3.14Å; N399-A401 WeakPolarHBondContact OD1-CB 3.33Å; N399-A401 PolarHBondContact OD1-N 3.21Å; N399-A401 VanDerWaalsContact OD1-N 3.1Å; N399-L402 HydrophobicContact CB-CD1 4.47Å; N399-L402 PolarHBondContact O-N 3.32Å; N399-Q407 PolarHBondContact O-NE2 3.42Å
400K94.8Very high96.7Very high213 Ų21345.7 Ų45.793%0.92623%0.232SC*.THydrogen-bonded Turntrans-67.9-6.2-176.1-62.4175.6-176.6171.20115.2R398R398-K400 PolarHBondContact O-N 3.49Å; R398-K400 VanDerWaalsContact O-N 3.12Å
401A96.6Very high96.7Very high86 Ų8645.7 Ų45.771%0.71123%0.232SC*.THydrogen-bonded Turntrans-93-9.9178.600000113.6N399N399-A401 PolarHBondContact O-N 2.58Å; N399-A401 VanDerWaalsContact O-N 3.14Å; N399-A401 WeakPolarHBondContact OD1-CB 3.33Å; N399-A401 PolarHBondContact OD1-N 3.21Å; N399-A401 VanDerWaalsContact OD1-N 3.1Å
402L96.9Very high96.7Very high51 Ų5147.4 Ų47.427%0.26724%0.24SC..SBendtrans-121.3157.8-169.1-66-178.1000112.3A371 N399 E406 Q407A371-L402 HydrophobicContact CB-CD1 3.9Å; N399-L402 HydrophobicContact CB-CD1 4.47Å; N399-L402 PolarHBondContact O-N 3.32Å; L402-E406 HydrophobicContact CB-CB 3.89Å; L402-E406 HydrophobicContact CD1-CB 4.39Å; L402-E406 HydrophobicContact CD2-CB 4.46Å; L402-E406 HydrophobicContact CG-CB 4.47Å; L402-Q407 PolarHBondContact O-NE2 2.9Å
403G96.3Very high96.7Very high18 Ų1847.7 Ų47.719%0.18624%0.242CC..  trans-64.1160.8171.700000112.9E405 E406 Q407G403-E405 WeakPolarHBondContact CA-OE2 3.36Å; G403-E405 PolarHBondContact O-N 3.14Å; G403-E406 PolarHBondContact N-OE2 2.89Å; G403-E406 PolarHBondContact O-N 3.5Å; G403-E406 VanDerWaalsContact O-N 3.11Å; G403-Q407 PolarHBondContact O-NE2 3.01Å
404P94.3Very high96.8Very high66 Ų6651.1 Ų51.143%0.42926%0.26SS..G310 helixtrans-54.9-33.6170.3-25.935.4000113.1L96 E406L96-P404 HydrophobicContact CD2-CB 4.26Å; P404-E406 VanDerWaalsContact C-N 3.32Å
405E95.4Very high96.9Very high84 Ų8451.1 Ų51.139%0.39326%0.263SS..G310 helixtrans-76-18.3179.268.2-88.8-126.500114R367 G403 S410 M412R367-E405 VanDerWaalsContact CD-O 3.26Å; R367-E405 WeakPolarHBondContact CD-O 3.44Å; G403-E405 WeakPolarHBondContact CA-OE2 3.36Å; G403-E405 PolarHBondContact O-N 3.14Å; E405-S410 WeakPolarHBondContact CA-OG 3.45Å; E405-S410 WeakPolarHBondContact O-CB 3.22Å; E405-S410 PolarHBondContact O-OG 2.76Å; E405-M412 HydrophobicContact CB-CB 3.78Å; E405-M412 HydrophobicContact CB-CE 3.78Å; E405-M412 HydrophobicContact CB-CG 4.24Å; E405-M412 HydrophobicContact CG-CE 4.24Å
406E97.5Very high97Very high94 Ų9451.5 Ų51.544%0.43926%0.264SS..G310 helixtrans-99-2.4-175.6-68.5-179.5133.300113.9R367 L402 G403 P404R367-E406 WeakPolarHBondContact CG-O 3.42Å; L402-E406 HydrophobicContact CB-CB 3.89Å; L402-E406 HydrophobicContact CD1-CB 4.39Å; L402-E406 HydrophobicContact CD2-CB 4.46Å; L402-E406 HydrophobicContact CG-CB 4.47Å; G403-E406 PolarHBondContact N-OE2 2.89Å; G403-E406 PolarHBondContact O-N 3.5Å; G403-E406 VanDerWaalsContact O-N 3.11Å; P404-E406 VanDerWaalsContact C-N 3.32Å
407Q98.1Very high97.1Very high9 Ų953.8 Ų53.84%0.04228%0.279CS..SBendtrans-64.5167.2179.9-60.8-60.1-50.300113R367 K397 N399 L402 G403 I409R367-Q407 VanDerWaalsContact CD-O 3.3Å; R367-Q407 WeakPolarHBondContact CD-O 3.26Å; R367-Q407 PolarHBondContact NE-O 2.88Å; K397-Q407 HydrophobicContact CB-CB 4.29Å; K397-Q407 HydrophobicContact CB-CG 4.03Å; K397-Q407 HydrophobicContact CG-CB 4.04Å; K397-Q407 HydrophobicContact CG-CG 4.22Å; K397-Q407 PolarHBondContact O-OE1 3.36Å; N399-Q407 PolarHBondContact O-NE2 3.42Å; L402-Q407 PolarHBondContact O-NE2 2.9Å; G403-Q407 PolarHBondContact O-NE2 3.01Å; Q407-I409 WeakPolarHBondContact CB-O 3.32Å; Q407-I409 PolarHBondContact O-N 3.03Å
408M97.4Very high97.2Very high25 Ų2554.4 Ų54.412%0.12328%0.283CS..SBendtrans-56.8-51.5178.4-69.7179.2-74.700111.2R367 I368 A371 G373 V381 N382 Y396R367-M408 PolarHBondContact NH2-O 3.3Å; I368-M408 VanDerWaalsContact CG1-O 3.31Å; I368-M408 WeakPolarHBondContact CG1-O 3.5Å; A371-M408 HydrophobicContact CB-CB 4.37Å; A371-M408 HydrophobicContact CB-CG 3.56Å; G373-M408 WeakPolarHBondContact CA-SD 3.46Å; V381-M408 HydrophobicContact CG1-CB 4.19Å; N382-M408 PolarHBondContact ND2-SD 3.13Å; N382-M408 VanDerWaalsContact ND2-SD 3.4Å; Y396-M408 HydrophobicContact CD1-CE 4.48Å; Y396-M408 WeakPolarHBondContact O-CE 3.23Å
409I98.1Very high97.4Very high0 Ų052.5 Ų52.50%029%0.287CS..SBendtrans-99.2124.6165.2-57.4-59.2000108.3V381 L385 L387 S388 A390 D393 Y396 K397 Q407V381-I409 HydrophobicContact CB-CD1 4.38Å; V381-I409 HydrophobicContact CG1-CD1 4.47Å; V381-I409 HydrophobicContact CG2-CD1 3.91Å; L385-I409 HydrophobicContact CB-CD1 4.48Å; L385-I409 HydrophobicContact CD1-CD1 3.99Å; L385-I409 HydrophobicContact CD1-CG1 3.81Å; L387-I409 HydrophobicContact CD1-CD1 4.36Å; L387-I409 WeakPolarHBondContact O-CD1 3.38Å; S388-I409 WeakPolarHBondContact O-CA 3.4Å; A390-I409 HydrophobicContact CB-CG2 3.99Å; D393-I409 HydrophobicContact CB-CB 4.4Å; D393-I409 HydrophobicContact CB-CG1 4.5Å; D393-I409 HydrophobicContact CB-CG2 4.08Å; Y396-I409 HydrophobicContact CD1-CG1 4.24Å; Y396-I409 HydrophobicContact CD2-CG1 4.23Å; Y396-I409 HydrophobicContact CG-CG1 3.76Å; K397-I409 WeakPolarHBondContact CE-O 3.39Å; K397-I409 WeakPolarHBondContact CG-O 3.38Å; Q407-I409 WeakPolarHBondContact CB-O 3.32Å; Q407-I409 PolarHBondContact O-N 3.03Å
410S98.1Very high97.5Very high2 Ų251 Ų511%0.01428%0.279CS..BIsolated β-bridgetrans-107.6137.3-177.7-174.10000111.6S388 R389 A390 E405 M412S388-S410 PolarHBondContact O-N 2.86Å; R389-S410 CarbonylContact C-O 3.59Å; R389-S410 WeakPolarHBondContact CA-O 3.23Å; R389-S410 WeakPolarHBondContact CB-O 3.49Å; A390-S410 PolarHBondContact N-O 2.86Å; A390-S410 VanDerWaalsContact N-O 3.08Å; E405-S410 WeakPolarHBondContact CA-OG 3.45Å; E405-S410 WeakPolarHBondContact O-CB 3.22Å; E405-S410 PolarHBondContact O-OG 2.76Å; S410-M412 PolarHBondContact OG-N 2.95Å
411S98Very high97.5Very high0 Ų043.4 Ų43.40%025%0.248CC..  trans-89.1-3.1171.248.20000113.3F95 D99 A390 P413F95-S411 WeakPolarHBondContact CB-O 3.4Å; D99-S411 WeakPolarHBondContact CB-OG 3.4Å; D99-S411 WeakPolarHBondContact OD2-CB 3.18Å; D99-S411 PolarHBondContact OD2-OG 3.16Å; A390-S411 WeakPolarHBondContact O-CA 3.47Å; A390-S411 WeakPolarHBondContact O-CB 3.39Å; S411-P413 WeakPolarHBondContact O-CD 3.48Å
412M98.4Very high97.4Very high37 Ų3745.4 Ų45.418%0.18225%0.254CS..PPolyproline II helixtrans-67.7121.3177.3-179.766.48300110.7E92 L96 R389 E405 S410E92-M412 HydrophobicContact CB-SD 4.07Å; E92-M412 HydrophobicContact CG-SD 4.17Å; L96-M412 HydrophobicContact CD1-CE 3.82Å; L96-M412 HydrophobicContact CD2-CB 4.42Å; L96-M412 HydrophobicContact CG-CE 4.48Å; R389-M412 VanDerWaalsContact CD-O 3.3Å; R389-M412 WeakPolarHBondContact CD-O 3.27Å; R389-M412 PolarHBondContact NH1-O 3.08Å; E405-M412 HydrophobicContact CB-CB 3.78Å; E405-M412 HydrophobicContact CB-CE 3.78Å; E405-M412 HydrophobicContact CB-CG 4.24Å; E405-M412 HydrophobicContact CG-CE 4.24Å; S410-M412 PolarHBondContact OG-N 2.95Å
413P98.6Very high97.3Very high5 Ų547 Ų473%0.03226%0.26CS..PPolyproline II helixtrans-85.4145.5178.833.2-33.9000112.7F95 A335 N336 A337 S411 V415F95-P413 HydrophobicContact CB-CG 4.01Å; F95-P413 HydrophobicContact CD1-CB 3.7Å; F95-P413 HydrophobicContact CD1-CG 3.73Å; F95-P413 HydrophobicContact CD2-CG 4.09Å; F95-P413 HydrophobicContact CE1-CB 3.69Å; F95-P413 HydrophobicContact CE1-CG 4.13Å; F95-P413 HydrophobicContact CE2-CG 4.46Å; F95-P413 HydrophobicContact CG-CB 4.19Å; F95-P413 HydrophobicContact CG-CG 3.69Å; F95-P413 HydrophobicContact CZ-CB 4.17Å; F95-P413 HydrophobicContact CZ-CG 4.47Å; A335-P413 HydrophobicContact CB-CB 3.93Å; A335-P413 HydrophobicContact CB-CG 4.2Å; N336-P413 CarbonylContact O-C 3.47Å; N336-P413 WeakPolarHBondContact O-CA 3.29Å; N336-P413 WeakPolarHBondContact O-CB 3.44Å; A337-P413 HydrophobicContact CB-CB 4.45Å; S411-P413 WeakPolarHBondContact O-CD 3.48Å; P413-V415 HydrophobicContact CB-CG2 4.48Å; P413-V415 HydrophobicContact CG-CG2 4.2Å
414D98.4Very high97.3Very high74 Ų7446.7 Ų46.740%0.39625%0.254SS..EExtended strand (participates in β ladder)trans-76.2131.2161.5-93.339000109.3A335 N336 H357 R389A335-D414 CarbonylContact C-O 3.53Å; A335-D414 WeakPolarHBondContact CA-O 3.4Å; N336-D414 PolarHBondContact N-O 3.23Å; N336-D414 PolarHBondContact O-N 2.78Å; H357-D414 IonicContact NE2-OD1 3.24Å; R389-D414 IonicContact CZ-OD1 3.24Å; R389-D414 VanDerWaalsContact CZ-OD1 3.28Å; R389-D414 IonicContact NH1-OD1 3.38Å; R389-D414 PolarHBondContact NH1-OD1 2.78Å; R389-D414 IonicContact NH2-OD1 2.75Å; R389-D414 PolarHBondContact NH2-OD1 2.65Å
415V98.6Very high97.2Very high37 Ų3747.2 Ų47.222%0.22425%0.253CS..EExtended strand (participates in β ladder)trans-121.7118-171.9-169.30000113.1Q88 E92 I333 V334 A335 P413Q88-V415 HydrophobicContact CB-CG1 4.03Å; Q88-V415 HydrophobicContact CG-CG1 4.02Å; E92-V415 HydrophobicContact CG-CG2 4.05Å; I333-V415 HydrophobicContact CG2-CG1 3.65Å; V334-V415 CarbonylContact O-C 3.49Å; V334-V415 VanDerWaalsContact O-CA 3.32Å; V334-V415 WeakPolarHBondContact O-CA 3.31Å; A335-V415 HydrophobicContact CB-CG2 3.93Å; P413-V415 HydrophobicContact CB-CG2 4.48Å; P413-V415 HydrophobicContact CG-CG2 4.2Å
416K98.6Very high97.4Very high63 Ų6343.3 Ų43.327%0.27424%0.235SC..EExtended strand (participates in β ladder)trans-114.8144.9-178.3-162.9162.8177.9177.80111.4V334 D352 M353 Y355V334-K416 PolarHBondContact N-O 2.87Å; V334-K416 PolarHBondContact O-N 2.9Å; D352-K416 WeakPolarHBondContact O-CE 3.35Å; D352-K416 PolarHBondContact O-NZ 3.13Å; M353-K416 HydrophobicContact CE-CB 4.13Å; M353-K416 HydrophobicContact CE-CG 4.05Å; M353-K416 VanDerWaalsContact O-CB 3.31Å; M353-K416 WeakPolarHBondContact O-CB 3.33Å; M353-K416 HydrophobicContact SD-CG 4.43Å; Y355-K416 HydrophobicContact CE2-CD 4.45Å; Y355-K416 PolarHBondContact OH-NZ 3Å
417V98.5Very high97.4Very high58 Ų5838.9 Ų38.935%0.35221%0.214SC..EExtended strand (participates in β ladder)trans-126.8133.1-177.9-179.20000111Q88 L332 I333Q88-V417 HydrophobicContact CG-CG2 3.57Å; L332-V417 WeakPolarHBondContact O-CA 3.19Å; I333-V417 HydrophobicContact CB-CG2 4.41Å; I333-V417 HydrophobicContact CG1-CG1 4.4Å; I333-V417 HydrophobicContact CG1-CG2 4.02Å; I333-V417 HydrophobicContact CG2-CG2 4.06Å
418L98.4Very high97.4Very high34 Ų3438.4 Ų38.418%0.17821%0.212CC..EExtended strand (participates in β ladder)trans-126.8134.9176.2-178.463.1000110.1L332 V344 M353 H424L332-L418 HydrophobicContact CB-CB 4.43Å; L332-L418 HydrophobicContact CD2-CD2 4.4Å; L332-L418 PolarHBondContact N-O 3.44Å; L332-L418 PolarHBondContact O-N 2.88Å; V344-L418 HydrophobicContact CB-CD2 4.29Å; V344-L418 HydrophobicContact CG1-CD2 4.05Å; V344-L418 HydrophobicContact CG2-CD2 3.99Å; M353-L418 HydrophobicContact CE-CB 3.73Å; M353-L418 HydrophobicContact SD-CB 3.74Å; M353-L418 HydrophobicContact SD-CD2 3.89Å; M353-L418 HydrophobicContact SD-CG 4.39Å; L418-H424 VanDerWaalsContact CD2-CE1 3.46Å; L418-H424 WeakPolarHBondContact CD2-CE1 3.17Å
419T98.3Very high97.5Very high96 Ų9637.2 Ų37.259%0.58921%0.206SC*.EExtended strand (participates in β ladder)trans-90.6113.8172.2-63.70000109.4N421 H424T419-N421 PolarHBondContact O-N 3.29Å; T419-H424 PolarHBondContact O-CE1 3.13Å
420L97.6Very high97.5Very high18 Ų1837.2 Ų37.29%0.09421%0.206CC..  trans-64.8122.9-176.2-62.4177.9000112.1I327 K330 L332 H424 F495I327-L420 HydrophobicContact CG2-CD1 4.04Å; K330-L420 WeakPolarHBondContact O-CB 3.37Å; K330-L420 WeakPolarHBondContact O-CG 3.43Å; K330-L420 PolarHBondContact O-N 3.05Å; L332-L420 HydrophobicContact CB-CD1 4.42Å; L332-L420 HydrophobicContact CB-CD2 4Å; L332-L420 HydrophobicContact CB-CG 4.14Å; L332-L420 HydrophobicContact CD2-CD2 4.3Å; L420-H424 WeakPolarHBondContact CD2-ND1 3.43Å; L420-F495 HydrophobicContact CD1-CD1 3.64Å; L420-F495 HydrophobicContact CD1-CE1 3.8Å; L420-F495 HydrophobicContact CD1-CG 4.32Å; L420-F495 HydrophobicContact CD2-CD1 4.11Å; L420-F495 HydrophobicContact CD2-CD2 4.34Å; L420-F495 HydrophobicContact CD2-CE1 3.79Å; L420-F495 HydrophobicContact CD2-CE2 4.03Å; L420-F495 HydrophobicContact CD2-CG 4.38Å; L420-F495 HydrophobicContact CD2-CZ 3.74Å; L420-F495 HydrophobicContact CG-CE1 4.48Å
421N95.9Very high97.6Very high54 Ų5437.1 Ų37.129%0.28921%0.206SC..  trans-115.5168.3178.574.140.6000109.7E346 T419 E423 H424E346-N421 PolarHBondContact OE1-ND2 3.17Å; T419-N421 PolarHBondContact O-N 3.29Å; N421-E423 PolarHBondContact O-N 2.95Å; N421-E423 VanDerWaalsContact O-N 3.16Å; N421-E423 VanDerWaalsContact OD1-CA 3.23Å; N421-E423 WeakPolarHBondContact OD1-CA 3.34Å; N421-E423 WeakPolarHBondContact OD1-CB 3.48Å; N421-E423 PolarHBondContact OD1-N 2.95Å; N421-H424 PolarHBondContact N-ND1 3.45Å; N421-H424 PolarHBondContact ND2-NE2 3.1Å; N421-H424 PolarHBondContact O-N 3.03Å; N421-H424 PolarHBondContact OD1-CD2 3.28Å; N421-H424 PolarHBondContact OD1-N 3.33Å
422P94.5Very high97.5Very high129 Ų12937.9 Ų37.984%0.83821%0.21SC*.THydrogen-bonded Turntrans-72.83.5-180-17.233000115.4
423E94.9Very high97.5Very high85 Ų8536.2 Ų36.240%0.39720%0.202SC..THydrogen-bonded Turntrans-101.7-10.7180-39.5-164125.600111.7E346 K347 N421E346-E423 CarbonylContact C-O 3.39Å; E346-E423 WeakPolarHBondContact CA-O 3.36Å; E346-E423 HydrophobicContact CG-CB 4.21Å; K347-E423 HydrophobicContact CD-CB 4.35Å; K347-E423 WeakPolarHBondContact CE-OE1 3.45Å; K347-E423 WeakPolarHBondContact CE-OE2 3.46Å; K347-E423 HydrophobicContact CG-CB 4.19Å; K347-E423 PolarHBondContact N-O 2.88Å; K347-E423 IonicContact NZ-OE1 3.28Å; K347-E423 PolarHBondContact NZ-OE1 2.85Å; K347-E423 IonicContact NZ-OE2 2.66Å; K347-E423 PolarHBondContact NZ-OE2 3.37Å; N421-E423 PolarHBondContact O-N 2.95Å; N421-E423 VanDerWaalsContact O-N 3.16Å; N421-E423 VanDerWaalsContact OD1-CA 3.23Å; N421-E423 WeakPolarHBondContact OD1-CA 3.34Å; N421-E423 WeakPolarHBondContact OD1-CB 3.48Å; N421-E423 PolarHBondContact OD1-N 2.95Å
424H96.8Very high97.5Very high11 Ų1136 Ų365%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-82.2121.6167.8-53.2160.3000110.5V344 S345 E346 L418 T419 L420 N421 F495V344-H424 HydrophobicContact CG1-CB 4.16Å; S345-H424 CarbonylContact O-C 3.53Å; S345-H424 VanDerWaalsContact O-CA 3.25Å; S345-H424 WeakPolarHBondContact O-CA 3.3Å; E346-H424 IonicContact OE1-CD2 2.71Å; E346-H424 IonicContact OE1-NE2 3.03Å; E346-H424 PolarHBondContact OE1-NE2 2.81Å; L418-H424 VanDerWaalsContact CD2-CE1 3.46Å; L418-H424 WeakPolarHBondContact CD2-CE1 3.17Å; T419-H424 PolarHBondContact O-CE1 3.13Å; L420-H424 WeakPolarHBondContact CD2-ND1 3.43Å; N421-H424 PolarHBondContact N-ND1 3.45Å; N421-H424 PolarHBondContact ND2-NE2 3.1Å; N421-H424 PolarHBondContact O-N 3.03Å; N421-H424 PolarHBondContact OD1-CD2 3.28Å; N421-H424 PolarHBondContact OD1-N 3.33Å; H424-F495 HydrophobicContact CB-CD2 3.82Å; H424-F495 HydrophobicContact CB-CE2 3.93Å
425D92Very high97.5Very high77 Ų7733.1 Ų33.141%0.41218%0.184SC..EExtended strand (participates in β ladder)trans-86.1-53-175.6-49.4-79.8000111.7S345 K347 G348 F495S345-D425 PolarHBondContact O-N 3.38Å; S345-D425 PolarHBondContact OG-OD2 2.94Å; K347-D425 PolarHBondContact N-OD2 2.92Å; G348-D425 PolarHBondContact N-OD2 2.6Å; D425-F495 PolarHBondContact O-N 3.44Å
426F97.8Very high97.4Very high2 Ų235 Ų351%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-158.2170.5-175.160-91.7000110.2S345 V428 V444 V447 S448 I451 I492 I493 T494 F495S345-F426 PolarHBondContact N-O 2.93Å; F426-V428 HydrophobicContact CD2-CG2 3.93Å; F426-V428 HydrophobicContact CE2-CG2 3.79Å; F426-V444 HydrophobicContact CE2-CG2 4.45Å; F426-V444 HydrophobicContact CZ-CG1 4.36Å; F426-V447 HydrophobicContact CD1-CG1 4.35Å; F426-V447 HydrophobicContact CD2-CG1 4Å; F426-V447 HydrophobicContact CE1-CG1 3.96Å; F426-V447 HydrophobicContact CE2-CB 3.83Å; F426-V447 HydrophobicContact CE2-CG1 3.57Å; F426-V447 HydrophobicContact CG-CG1 4.39Å; F426-V447 HydrophobicContact CZ-CB 3.73Å; F426-V447 HydrophobicContact CZ-CG1 3.55Å; F426-S448 WeakPolarHBondContact CE1-OG 3.37Å; F426-I451 HydrophobicContact CB-CD1 4.39Å; F426-I451 HydrophobicContact CD1-CD1 3.99Å; F426-I451 HydrophobicContact CG-CD1 4.28Å; F426-I492 HydrophobicContact CD2-CG2 4.45Å; F426-I493 CarbonylContact C-O 3.53Å; F426-I493 WeakPolarHBondContact CA-O 3.41Å; F426-I493 VanDerWaalsContact CB-O 3.29Å; F426-I493 WeakPolarHBondContact CB-O 3.35Å; F426-T494 HydrophobicContact CB-CG2 4.27Å; F426-F495 VanDerWaalsContact C-CE2 3.45Å
427M98.5Very high97.3Very high0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-123.5159.2159.669.6-174.1174.800111.4F53 A325 I327 L332 V343 V344 I429 I493 F495F53-M427 HydrophobicContact CD2-CE 4.1Å; A325-M427 HydrophobicContact CB-CE 3.91Å; A325-M427 HydrophobicContact CB-SD 4.32Å; I327-M427 HydrophobicContact CD1-CE 3.82Å; I327-M427 HydrophobicContact CG1-CE 4.28Å; L332-M427 HydrophobicContact CD1-CE 4.13Å; L332-M427 HydrophobicContact CD1-SD 3.71Å; L332-M427 HydrophobicContact CD2-SD 3.89Å; L332-M427 HydrophobicContact CG-SD 4.49Å; V343-M427 CarbonylContact O-C 3.15Å; V343-M427 WeakPolarHBondContact O-CA 3.38Å; V343-M427 WeakPolarHBondContact O-CB 3.22Å; V344-M427 HydrophobicContact CG2-CB 3.84Å; M427-I429 HydrophobicContact CE-CD1 4.3Å; M427-I493 HydrophobicContact CE-CB 4.01Å; M427-I493 HydrophobicContact CE-CD1 3.91Å; M427-I493 HydrophobicContact CE-CG1 4.05Å; M427-I493 HydrophobicContact CE-CG2 4.25Å; M427-I493 HydrophobicContact CG-CB 4.06Å; M427-I493 HydrophobicContact CG-CD1 4.01Å; M427-I493 PolarHBondContact N-O 3.12Å; M427-I493 PolarHBondContact O-N 3.31Å; M427-F495 HydrophobicContact CB-CE2 4.48Å; M427-F495 HydrophobicContact CB-CZ 3.93Å; M427-F495 HydrophobicContact CG-CE1 4.43Å; M427-F495 HydrophobicContact CG-CZ 3.98Å; M427-F495 HydrophobicContact SD-CE1 4.26Å; M427-F495 HydrophobicContact SD-CZ 4.09Å
428V98.9Very high97.3Very high0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-118.6143171.3-171.90000108.2C342 V343 F426 W435 V443 V447 C490 I491 I492C342-V428 CarbonylContact C-O 3.55Å; C342-V428 VanDerWaalsContact CA-O 3.31Å; C342-V428 WeakPolarHBondContact CA-O 3.44Å; V343-V428 PolarHBondContact N-O 2.83Å; V343-V428 PolarHBondContact O-N 3.44Å; F426-V428 HydrophobicContact CD2-CG2 3.93Å; F426-V428 HydrophobicContact CE2-CG2 3.79Å; V428-W435 HydrophobicContact CB-CH2 4.31Å; V428-W435 HydrophobicContact CG1-CH2 4.12Å; V428-W435 HydrophobicContact CG1-CZ2 4.23Å; V428-V443 HydrophobicContact CB-CG1 4.44Å; V428-V443 HydrophobicContact CG1-CG1 4.07Å; V428-V443 HydrophobicContact CG2-CG1 4.18Å; V428-V447 HydrophobicContact CG2-CG2 4.42Å; V428-C490 VanDerWaalsContact CG1-SG 3.57Å; V428-I491 CarbonylContact C-O 3.6Å; V428-I491 VanDerWaalsContact CA-O 3.31Å; V428-I491 WeakPolarHBondContact CA-O 3.41Å; V428-I492 HydrophobicContact CG2-CG1 4.35Å
429I98.9Very high97.3Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-132.2126.7171.2-49.8-179.9000106.8F53 V55 V323 A325 C342 M427 C490 I491 I493F53-I429 HydrophobicContact CB-CD1 3.69Å; V55-I429 HydrophobicContact CB-CG2 4.15Å; V55-I429 HydrophobicContact CG2-CB 4.34Å; V55-I429 HydrophobicContact CG2-CG2 3.78Å; V323-I429 HydrophobicContact CB-CG2 4.34Å; V323-I429 HydrophobicContact CG1-CG2 3.32Å; V323-I429 HydrophobicContact CG2-CG2 4.1Å; A325-I429 HydrophobicContact CB-CD1 3.64Å; C342-I429 HydrophobicContact CB-CG1 4.24Å; M427-I429 HydrophobicContact CE-CD1 4.3Å; I429-C490 CarbonylContact O-C 3.59Å; I429-C490 WeakPolarHBondContact O-CA 3.44Å; I429-I491 PolarHBondContact N-O 2.76Å; I429-I491 PolarHBondContact O-N 2.75Å; I429-I493 HydrophobicContact CD1-CD1 4.07Å; I429-I493 HydrophobicContact CG1-CD1 4.12Å
430A98.9Very high97.4Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-152.2162.3179.100000112.9R341 I434 W435 T489 C490R341-A430 PolarHBondContact N-O 2.9Å; R341-A430 PolarHBondContact O-N 2.93Å; R341-A430 VanDerWaalsContact O-N 3.09Å; A430-I434 HydrophobicContact CB-CB 4.02Å; A430-I434 HydrophobicContact CB-CG1 3.94Å; A430-I434 HydrophobicContact CB-CG2 4.43Å; A430-W435 HydrophobicContact CB-CZ2 3.94Å; A430-W435 PolarHBondContact O-NE1 3.11Å; A430-T489 VanDerWaalsContact CA-O 3.22Å; A430-T489 WeakPolarHBondContact CA-O 3.38Å; A430-T489 WeakPolarHBondContact CB-O 3.4Å; A430-C490 HydrophobicContact CB-CB 3.7Å
431C98.6Very high97.4Very high0 Ų031.5 Ų31.50%018%0.176CC..  trans-75.4173.4171.568.10000112.6V55 D57 G433 I434 N487 M488 T489V55-C431 HydrophobicContact CG1-CB 4.05Å; D57-C431 HydrophobicContact CB-CB 4.08Å; D57-C431 VanDerWaalsContact OD2-CB 3.23Å; D57-C431 WeakPolarHBondContact OD2-CB 3.1Å; C431-G433 VanDerWaalsContact C-N 3.26Å; C431-G433 PolarHBondContact O-N 3.04Å; C431-I434 PolarHBondContact O-N 3.32Å; C431-N487 PolarHBondContact SG-O 3.29Å; C431-M488 VanDerWaalsContact SG-CA 3.57Å; C431-T489 PolarHBondContact N-O 3.11Å; C431-T489 VanDerWaalsContact N-O 3.12Å; C431-T489 PolarHBondContact SG-N 3.31Å
432D97.3Very high97.5Very high16 Ų1632.9 Ų32.99%0.08618%0.184CC..Hα-helixtrans-65.6-27.8-172.3116.7-30.3000112.9D57 K358 I434 W435 N436D57-D432 PolarHBondContact OD2-N 3.44Å; K358-D432 IonicContact NZ-OD2 2.72Å; D432-I434 CarbonylContact O-C 3.51Å; D432-I434 PolarHBondContact O-N 2.86Å; D432-W435 PolarHBondContact O-N 3.47Å; D432-N436 WeakPolarHBondContact O-CB 3.34Å; D432-N436 PolarHBondContact O-N 3.46Å; D432-N436 PolarHBondContact O-ND2 2.87Å; D432-N436 PolarHBondContact OD1-ND2 2.96Å; D432-N436 PolarHBondContact OD2-ND2 2.77Å
433G97.5Very high97.7Very high2 Ų226.8 Ų26.82%0.02114%0.144CC..Hα-helixtrans-60.1-12.6176.400000115.3C431 V437C431-G433 VanDerWaalsContact C-N 3.26Å; C431-G433 PolarHBondContact O-N 3.04Å; G433-V437 WeakPolarHBondContact O-CG2 3.41Å
434I98.6Very high97.9Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-96.3-47.6166.9-57.1-58.1000111.3A430 C431 D432 N436 V437 M438 V443 L469 L470 C473 M488 C490A430-I434 HydrophobicContact CB-CB 4.02Å; A430-I434 HydrophobicContact CB-CG1 3.94Å; A430-I434 HydrophobicContact CB-CG2 4.43Å; C431-I434 PolarHBondContact O-N 3.32Å; D432-I434 CarbonylContact O-C 3.51Å; D432-I434 PolarHBondContact O-N 2.86Å; I434-N436 PolarHBondContact O-N 2.99Å; I434-V437 PolarHBondContact O-N 2.66Å; I434-V437 VanDerWaalsContact O-N 3.09Å; I434-M438 PolarHBondContact O-N 2.83Å; I434-V443 HydrophobicContact CG2-CG2 4.15Å; I434-L469 HydrophobicContact CG2-CD2 4.22Å; I434-L469 HydrophobicContact CG2-CG 4.5Å; I434-L470 HydrophobicContact CD1-CD2 3.79Å; I434-C473 HydrophobicContact CD1-CB 3.9Å; I434-M488 HydrophobicContact CD1-CB 4.21Å; I434-M488 HydrophobicContact CD1-CG 3.87Å; I434-M488 HydrophobicContact CD1-SD 4.19Å; I434-C490 HydrophobicContact CG1-CB 4.34Å
435W98.3Very high98Very high13 Ų1325.2 Ų25.25%0.04914%0.139CC..Hα-helixtrans-75.3-22.2-170.8-55.6118.6000114.6R341 V343 V428 A430 D432 V437 V443R341-W435 HydrophobicContact CB-CD2 3.97Å; R341-W435 HydrophobicContact CB-CG 3.93Å; R341-W435 HydrophobicContact CB-CZ2 4.27Å; R341-W435 WeakPolarHBondContact O-CZ2 3.08Å; R341-W435 PolarHBondContact O-NE1 3.29Å; V343-W435 HydrophobicContact CB-CH2 4.21Å; V343-W435 HydrophobicContact CG2-CH2 3.64Å; V343-W435 HydrophobicContact CG2-CZ2 4.21Å; V343-W435 HydrophobicContact CG2-CZ3 3.97Å; V428-W435 HydrophobicContact CB-CH2 4.31Å; V428-W435 HydrophobicContact CG1-CH2 4.12Å; V428-W435 HydrophobicContact CG1-CZ2 4.23Å; A430-W435 HydrophobicContact CB-CZ2 3.94Å; A430-W435 PolarHBondContact O-NE1 3.11Å; D432-W435 PolarHBondContact O-N 3.47Å; W435-V437 VanDerWaalsContact C-N 3.25Å; W435-V443 HydrophobicContact CE3-CG2 4.1Å; W435-V443 HydrophobicContact CH2-CB 4.25Å; W435-V443 HydrophobicContact CH2-CG1 4.04Å; W435-V443 HydrophobicContact CH2-CG2 4.34Å; W435-V443 HydrophobicContact CZ3-CB 3.77Å; W435-V443 HydrophobicContact CZ3-CG1 4.07Å; W435-V443 HydrophobicContact CZ3-CG2 3.58Å
436N96.3Very high98.3Very high78 Ų7822.4 Ų22.442%0.41712%0.123SC..THydrogen-bonded Turntrans-69.6-23.1168.6-72.5-22.8000112.4D432 I434D432-N436 WeakPolarHBondContact O-CB 3.34Å; D432-N436 PolarHBondContact O-N 3.46Å; D432-N436 PolarHBondContact O-ND2 2.87Å; D432-N436 PolarHBondContact OD1-ND2 2.96Å; D432-N436 PolarHBondContact OD2-ND2 2.77Å; I434-N436 PolarHBondContact O-N 2.99Å
437V97.9Very high98.3Very high51 Ų5122.3 Ų22.331%0.30912%0.123SC..THydrogen-bonded Turntrans-101.7-31.8-176.6-162.80000112.4G433 I434 W435 C473 T483G433-V437 WeakPolarHBondContact O-CG2 3.41Å; I434-V437 PolarHBondContact O-N 2.66Å; I434-V437 VanDerWaalsContact O-N 3.09Å; W435-V437 VanDerWaalsContact C-N 3.25Å; V437-C473 HydrophobicContact CB-CB 4.14Å; V437-C473 HydrophobicContact CG1-CB 4.35Å; V437-C473 HydrophobicContact CG2-CB 4.05Å; V437-T483 HydrophobicContact CB-CG2 4.35Å; V437-T483 HydrophobicContact CG1-CG2 4.39Å; V437-T483 HydrophobicContact CG2-CG2 3.87Å
438M98.3Very high98.2Very high15 Ų1522.7 Ų22.77%0.07413%0.125CC..SBendtrans-136.6134.5-175.5-66.9-174.963.400112I434 D442 V443 F446 L469 H472I434-M438 PolarHBondContact O-N 2.83Å; M438-D442 HydrophobicContact CB-CB 4.2Å; M438-D442 HydrophobicContact CE-CB 3.77Å; M438-V443 HydrophobicContact CB-CG2 3.63Å; M438-V443 HydrophobicContact CE-CG2 4.26Å; M438-F446 HydrophobicContact CE-CB 4Å; M438-F446 HydrophobicContact CE-CD2 4.03Å; M438-F446 HydrophobicContact CE-CG 4.27Å; M438-L469 HydrophobicContact CE-CD1 4.08Å; M438-L469 HydrophobicContact SD-CD1 3.53Å; M438-L469 VanDerWaalsContact SD-CD1 3.53Å; M438-H472 PolarHBondContact SD-ND1 2.72Å; M438-H472 VanDerWaalsContact SD-ND1 3.36Å
439S98.6Very high97.9Very high54 Ų5429.2 Ų29.238%0.37816%0.156SC..  trans-70.3162.6176.679.50000112Q441 D442 V443S439-Q441 PolarHBondContact O-N 3.45Å; S439-Q441 VanDerWaalsContact O-N 3.12Å; S439-Q441 PolarHBondContact OG-N 2.96Å; S439-D442 WeakPolarHBondContact CB-OD2 3.32Å; S439-D442 PolarHBondContact N-OD2 3.03Å; S439-D442 VanDerWaalsContact N-OD2 3.08Å; S439-D442 PolarHBondContact O-N 3.46Å; S439-D442 VanDerWaalsContact OG-CG 3.28Å; S439-D442 PolarHBondContact OG-N 2.85Å; S439-D442 PolarHBondContact OG-OD2 2.91Å; S439-V443 PolarHBondContact O-N 2.74Å
440S98.6Very high97.7Very high13 Ų1330.9 Ų30.99%0.09116%0.163CC..Hα-helixtrans-51.2-36.1175-55.30000113.1R341 D352 V444R341-S440 PolarHBondContact NH1-OG 3.15Å; D352-S440 WeakPolarHBondContact OD1-CB 2.86Å; D352-S440 PolarHBondContact OD1-OG 3.49Å; S440-V444 WeakPolarHBondContact O-CB 3.44Å; S440-V444 VanDerWaalsContact O-CG2 3.31Å; S440-V444 WeakPolarHBondContact O-CG2 3.15Å; S440-V444 PolarHBondContact O-N 3.2Å
441Q98.7Very high97.4Very high61 Ų6132 Ų3229%0.28517%0.169SC..Hα-helixtrans-77.4-39.8176.8-174.960.449.800112.2G348 A350 S439 V443 V444 D445G348-Q441 PolarHBondContact O-NE2 3.25Å; A350-Q441 HydrophobicContact CB-CB 4.34Å; S439-Q441 PolarHBondContact O-N 3.45Å; S439-Q441 VanDerWaalsContact O-N 3.12Å; S439-Q441 PolarHBondContact OG-N 2.96Å; Q441-V443 VanDerWaalsContact C-N 3.31Å; Q441-V443 PolarHBondContact O-N 2.89Å; Q441-V444 PolarHBondContact O-N 2.72Å; Q441-D445 PolarHBondContact NE2-OD2 2.67Å; Q441-D445 WeakPolarHBondContact O-CB 3.37Å; Q441-D445 PolarHBondContact O-N 2.58Å
442D98.6Very high96.9Very high84 Ų8438.3 Ų38.345%0.44920%0.196SC..Hα-helixtrans-61.1-41.4177.6-61.1-59.6000111.5M438 S439 D445 F446M438-D442 HydrophobicContact CB-CB 4.2Å; M438-D442 HydrophobicContact CE-CB 3.77Å; S439-D442 WeakPolarHBondContact CB-OD2 3.32Å; S439-D442 PolarHBondContact N-OD2 3.03Å; S439-D442 VanDerWaalsContact N-OD2 3.08Å; S439-D442 PolarHBondContact O-N 3.46Å; S439-D442 VanDerWaalsContact OG-CG 3.28Å; S439-D442 PolarHBondContact OG-N 2.85Å; S439-D442 PolarHBondContact OG-OD2 2.91Å; D442-D445 PolarHBondContact O-N 2.92Å; D442-F446 WeakPolarHBondContact O-CB 3.44Å; D442-F446 PolarHBondContact O-N 3.47Å
443V98.8Very high96.4Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-67.4-42.9176.1177.70000111.2V428 I434 W435 M438 S439 Q441 D445 F446 V447 L469V428-V443 HydrophobicContact CB-CG1 4.44Å; V428-V443 HydrophobicContact CG1-CG1 4.07Å; V428-V443 HydrophobicContact CG2-CG1 4.18Å; I434-V443 HydrophobicContact CG2-CG2 4.15Å; W435-V443 HydrophobicContact CE3-CG2 4.1Å; W435-V443 HydrophobicContact CH2-CB 4.25Å; W435-V443 HydrophobicContact CH2-CG1 4.04Å; W435-V443 HydrophobicContact CH2-CG2 4.34Å; W435-V443 HydrophobicContact CZ3-CB 3.77Å; W435-V443 HydrophobicContact CZ3-CG1 4.07Å; W435-V443 HydrophobicContact CZ3-CG2 3.58Å; M438-V443 HydrophobicContact CB-CG2 3.63Å; M438-V443 HydrophobicContact CE-CG2 4.26Å; S439-V443 PolarHBondContact O-N 2.74Å; Q441-V443 VanDerWaalsContact C-N 3.31Å; Q441-V443 PolarHBondContact O-N 2.89Å; V443-D445 PolarHBondContact O-N 2.83Å; V443-F446 PolarHBondContact O-N 3.38Å; V443-V447 HydrophobicContact CG1-CG2 4.49Å; V443-V447 WeakPolarHBondContact O-CG2 3.27Å; V443-V447 PolarHBondContact O-N 3.4Å; V443-L469 HydrophobicContact CG1-CD2 4.05Å
444V98.6Very high95.8Very high0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-62-41.6175.3163.90000111.5V343 G348 A350 F426 S440 Q441 S448V343-V444 HydrophobicContact CG1-CG2 3.76Å; G348-V444 WeakPolarHBondContact O-CG1 3.28Å; A350-V444 HydrophobicContact CB-CB 4.39Å; A350-V444 HydrophobicContact CB-CG2 4.02Å; F426-V444 HydrophobicContact CE2-CG2 4.45Å; F426-V444 HydrophobicContact CZ-CG1 4.36Å; S440-V444 WeakPolarHBondContact O-CB 3.44Å; S440-V444 VanDerWaalsContact O-CG2 3.31Å; S440-V444 WeakPolarHBondContact O-CG2 3.15Å; S440-V444 PolarHBondContact O-N 3.2Å; Q441-V444 PolarHBondContact O-N 2.72Å; V444-S448 WeakPolarHBondContact O-CB 3.37Å; V444-S448 PolarHBondContact O-N 2.85Å; V444-S448 PolarHBondContact O-OG 2.81Å
445D98.4Very high95Very high64 Ų6451.1 Ų51.134%0.34229%0.285SS..Hα-helixtrans-68.3-42.6175.5-84.4-48.8000112.1Q441 D442 V443 V447 S448 Q449Q441-D445 PolarHBondContact NE2-OD2 2.67Å; Q441-D445 WeakPolarHBondContact O-CB 3.37Å; Q441-D445 PolarHBondContact O-N 2.58Å; D442-D445 PolarHBondContact O-N 2.92Å; V443-D445 PolarHBondContact O-N 2.83Å; D445-V447 VanDerWaalsContact C-N 3.35Å; D445-V447 PolarHBondContact O-N 3.21Å; D445-S448 PolarHBondContact O-N 2.82Å; D445-Q449 WeakPolarHBondContact O-CG 3.44Å; D445-Q449 PolarHBondContact O-N 3.26Å; D445-Q449 PolarHBondContact O-NE2 3.41Å
446F98.3Very high94.2Very high18 Ų1854.7 Ų54.78%0.07931%0.312CS..Hα-helixtrans-57.7-45.8177.3-177-77.4000111.9M438 D442 V443 K450 E468 L469 H472M438-F446 HydrophobicContact CE-CB 4Å; M438-F446 HydrophobicContact CE-CD2 4.03Å; M438-F446 HydrophobicContact CE-CG 4.27Å; D442-F446 WeakPolarHBondContact O-CB 3.44Å; D442-F446 PolarHBondContact O-N 3.47Å; V443-F446 PolarHBondContact O-N 3.38Å; F446-K450 HydrophobicContact CD1-CD 4.04Å; F446-K450 HydrophobicContact CE1-CD 3.65Å; F446-K450 VanDerWaalsContact CE1-CE 3.49Å; F446-K450 HydrophobicContact CZ-CD 4.08Å; F446-K450 VanDerWaalsContact CZ-CE 3.41Å; F446-K450 WeakPolarHBondContact O-CG 3.49Å; F446-K450 PolarHBondContact O-NZ 3.08Å; F446-E468 HydrophobicContact CZ-CB 4.37Å; F446-E468 HydrophobicContact CZ-CG 4.14Å; F446-L469 HydrophobicContact CD1-CB 4.31Å; F446-L469 HydrophobicContact CD1-CD1 3.85Å; F446-L469 HydrophobicContact CD2-CD1 4.28Å; F446-L469 HydrophobicContact CE1-CB 3.71Å; F446-L469 HydrophobicContact CE1-CD1 3.94Å; F446-L469 HydrophobicContact CE1-CG 4.4Å; F446-L469 HydrophobicContact CE2-CD1 4.34Å; F446-L469 HydrophobicContact CG-CD1 4.05Å; F446-L469 HydrophobicContact CZ-CB 4.11Å; F446-L469 HydrophobicContact CZ-CD1 4.18Å; F446-H472 HydrophobicContact CE2-CB 4.04Å; F446-H472 AromaticContact CE2-CG 3.93Å; F446-H472 HydrophobicContact CZ-CB 4.38Å
447V97.8Very high93.5Very high0 Ų053.6 Ų53.60%032%0.32CS..Hα-helixtrans-73.9-44.9177.6175.70000110.8F426 V428 V443 D445 Q449 K450 I451 I465 I492F426-V447 HydrophobicContact CD1-CG1 4.35Å; F426-V447 HydrophobicContact CD2-CG1 4Å; F426-V447 HydrophobicContact CE1-CG1 3.96Å; F426-V447 HydrophobicContact CE2-CB 3.83Å; F426-V447 HydrophobicContact CE2-CG1 3.57Å; F426-V447 HydrophobicContact CG-CG1 4.39Å; F426-V447 HydrophobicContact CZ-CB 3.73Å; F426-V447 HydrophobicContact CZ-CG1 3.55Å; V428-V447 HydrophobicContact CG2-CG2 4.42Å; V443-V447 HydrophobicContact CG1-CG2 4.49Å; V443-V447 WeakPolarHBondContact O-CG2 3.27Å; V443-V447 PolarHBondContact O-N 3.4Å; D445-V447 VanDerWaalsContact C-N 3.35Å; D445-V447 PolarHBondContact O-N 3.21Å; V447-Q449 PolarHBondContact O-N 2.88Å; V447-Q449 VanDerWaalsContact O-N 3.1Å; V447-K450 PolarHBondContact O-N 3.43Å; V447-I451 HydrophobicContact CG1-CB 4.28Å; V447-I451 HydrophobicContact CG1-CD1 4.12Å; V447-I451 WeakPolarHBondContact O-CB 3.46Å; V447-I451 WeakPolarHBondContact O-CG2 3.39Å; V447-I451 PolarHBondContact O-N 3.04Å; V447-I465 HydrophobicContact CG2-CG2 4.3Å; V447-I492 HydrophobicContact CG1-CD1 3.96Å; V447-I492 HydrophobicContact CG1-CG1 4.46Å; V447-I492 HydrophobicContact CG1-CG2 4.19Å; V447-I492 HydrophobicContact CG2-CD1 3.72Å; V447-I492 HydrophobicContact CG2-CG1 4.27Å
448S95.6Very high92.9Very high8 Ų855.5 Ų55.56%0.05633%0.331CS..Hα-helixtrans-58.4-25.7179.3-70.50000113.8F426 V444 D445 K452F426-S448 WeakPolarHBondContact CE1-OG 3.37Å; V444-S448 WeakPolarHBondContact O-CB 3.37Å; V444-S448 PolarHBondContact O-N 2.85Å; V444-S448 PolarHBondContact O-OG 2.81Å; D445-S448 PolarHBondContact O-N 2.82Å; S448-K452 WeakPolarHBondContact O-CD 3.23Å; S448-K452 WeakPolarHBondContact O-CE 3.49Å; S448-K452 PolarHBondContact O-NZ 3.19Å
449Q94.1Very high92.5Very high137 Ų13755.2 Ų55.264%0.6433%0.331SS*.Hα-helixtrans-79.5-36.5173.5-70.5169.344.700112.8D445 V447D445-Q449 WeakPolarHBondContact O-CG 3.44Å; D445-Q449 PolarHBondContact O-N 3.26Å; D445-Q449 PolarHBondContact O-NE2 3.41Å; V447-Q449 PolarHBondContact O-N 2.88Å; V447-Q449 VanDerWaalsContact O-N 3.1Å
450K94.8Very high92.2Very high34 Ų3456.6 Ų56.615%0.14833%0.328CS..Hα-helixtrans-95.5-20.9-171.1-64179.1-172.775.20114.8F446 V447 K452 I465 E468F446-K450 HydrophobicContact CD1-CD 4.04Å; F446-K450 HydrophobicContact CE1-CD 3.65Å; F446-K450 VanDerWaalsContact CE1-CE 3.49Å; F446-K450 HydrophobicContact CZ-CD 4.08Å; F446-K450 VanDerWaalsContact CZ-CE 3.41Å; F446-K450 WeakPolarHBondContact O-CG 3.49Å; F446-K450 PolarHBondContact O-NZ 3.08Å; V447-K450 PolarHBondContact O-N 3.43Å; K450-K452 VanDerWaalsContact C-N 3.32Å; K450-I465 HydrophobicContact CB-CD1 4.17Å; K450-I465 HydrophobicContact CB-CG1 4.09Å; K450-I465 HydrophobicContact CB-CG2 3.86Å; K450-I465 HydrophobicContact CD-CG2 4.16Å; K450-I465 WeakPolarHBondContact O-CD1 3.44Å; K450-E468 WeakPolarHBondContact CE-OE1 3.43Å
451I92.3Very high92.1Very high25 Ų2558.5 Ų58.513%0.12834%0.34CS..SBendtrans-76.8-18.8-178.7-157.5166.5000113.2F426 V447 L462 I465 I492 T494 H498F426-I451 HydrophobicContact CB-CD1 4.39Å; F426-I451 HydrophobicContact CD1-CD1 3.99Å; F426-I451 HydrophobicContact CG-CD1 4.28Å; V447-I451 HydrophobicContact CG1-CB 4.28Å; V447-I451 HydrophobicContact CG1-CD1 4.12Å; V447-I451 WeakPolarHBondContact O-CB 3.46Å; V447-I451 WeakPolarHBondContact O-CG2 3.39Å; V447-I451 PolarHBondContact O-N 3.04Å; I451-L462 HydrophobicContact CD1-CD2 3.81Å; I451-L462 HydrophobicContact CG1-CD2 3.87Å; I451-I465 HydrophobicContact CB-CD1 4.16Å; I451-I465 HydrophobicContact CG1-CD1 4.36Å; I451-I492 HydrophobicContact CD1-CG2 4.32Å; I451-T494 HydrophobicContact CD1-CG2 3.62Å; I451-H498 PolarHBondContact O-CE1 3.43Å
452K88.3Confident92Very high132 Ų13255.6 Ų55.657%0.57433%0.326SS*.SBendtrans-75.2145.7177.7-69.7166.4-178.9132.90110.2S448 K450S448-K452 WeakPolarHBondContact O-CD 3.23Å; S448-K452 WeakPolarHBondContact O-CE 3.49Å; S448-K452 PolarHBondContact O-NZ 3.19Å; K450-K452 VanDerWaalsContact C-N 3.32Å
453P86.5Confident91.9Very high76 Ų7652 Ų5249%0.49431%0.308SS..  trans-57.2146.4173.1-22.332.2000112.2V458 A459P453-V458 WeakPolarHBondContact CA-O 3.3Å; P453-A459 HydrophobicContact CG-CB 4.37Å
454D84.3Confident91.9Very high91 Ų9153.5 Ų53.549%0.48732%0.318SS..  trans-72.5-178.1177.580.9-9.8000112.8S456 G457 V458D454-S456 VanDerWaalsContact CG-OG 3.3Å; D454-S456 PolarHBondContact O-N 2.86Å; D454-S456 VanDerWaalsContact O-N 3.09Å; D454-S456 VanDerWaalsContact OD1-CA 3.28Å; D454-S456 WeakPolarHBondContact OD1-CA 3.24Å; D454-S456 WeakPolarHBondContact OD1-CB 3.32Å; D454-S456 PolarHBondContact OD1-N 3.39Å; D454-S456 PolarHBondContact OD1-OG 3.15Å; D454-S456 PolarHBondContact OD2-OG 3.07Å; D454-G457 PolarHBondContact O-N 3.04Å; D454-G457 PolarHBondContact OD1-N 3.4Å; D454-V458 PolarHBondContact N-O 3.35Å; D454-V458 PolarHBondContact OD1-N 2.93Å
455A81.7Confident91.9Very high120 Ų12053.5 Ų53.599%0.99232%0.318SS*.THydrogen-bonded Turntrans-65.2-9.4178.100000114.6
456S82.7Confident91.9Very high87 Ų8750.5 Ų50.561%0.60830%0.302SS*.THydrogen-bonded Turntrans-95.9-7.3171.3800000113.3D454 V458D454-S456 VanDerWaalsContact CG-OG 3.3Å; D454-S456 PolarHBondContact O-N 2.86Å; D454-S456 VanDerWaalsContact O-N 3.09Å; D454-S456 VanDerWaalsContact OD1-CA 3.28Å; D454-S456 WeakPolarHBondContact OD1-CA 3.24Å; D454-S456 WeakPolarHBondContact OD1-CB 3.32Å; D454-S456 PolarHBondContact OD1-N 3.39Å; D454-S456 PolarHBondContact OD1-OG 3.15Å; D454-S456 PolarHBondContact OD2-OG 3.07Å; S456-V458 WeakPolarHBondContact OG-CG2 3.18Å
457G81.1Confident91.9Very high56 Ų5652.2 Ų52.258%0.57731%0.31SS*.SBendtrans87.411.9-176.300000114.1D454D454-G457 PolarHBondContact O-N 3.04Å; D454-G457 PolarHBondContact OD1-N 3.4Å
458V84.4Confident91.9Very high91 Ų9155.8 Ų55.855%0.55233%0.327SS*.PPolyproline II helixtrans-95.7125.2179.1178.10000109.5P453 D454 S456P453-V458 WeakPolarHBondContact CA-O 3.3Å; D454-V458 PolarHBondContact N-O 3.35Å; D454-V458 PolarHBondContact OD1-N 2.93Å; S456-V458 WeakPolarHBondContact OG-CG2 3.18Å
459A89.8Confident92.1Very high8 Ų855.4 Ų55.47%0.06632%0.324CS..PPolyproline II helixtrans-86.7143.8170.400000110.5P453 P499 G500P453-A459 HydrophobicContact CG-CB 4.37Å; A459-P499 HydrophobicContact CB-CB 4.12Å; A459-G500 WeakPolarHBondContact O-CA 3.18Å
460R93.3Very high92.3Very high84 Ų8448.9 Ų48.932%0.31729%0.294SS..PPolyproline II helixtrans-73.7147.4173.8-69.7175.163.2175.7-2.9110.9S464 I465 E468 H498R460-S464 PolarHBondContact NH2-O 2.87Å; R460-S464 PolarHBondContact NH2-OG 3.4Å; R460-S464 VanDerWaalsContact NH2-OG 3.15Å; R460-I465 HydrophobicContact CB-CD1 4.45Å; R460-I465 HydrophobicContact CB-CG1 4.23Å; R460-E468 IonicContact CZ-OE2 2.68Å; R460-E468 IonicContact NH1-OE2 3.21Å; R460-E468 PolarHBondContact NH1-OE2 3.5Å; R460-E468 IonicContact NH2-OE2 3.22Å; R460-E468 PolarHBondContact NH2-OE2 2.83Å; R460-H498 PolarHBondContact O-NE2 2.55Å
461P95.2Very high92.5Very high53 Ų5351.4 Ų51.434%0.34431%0.309SS..PPolyproline II helixtrans-56.5142.5166.1-20.432000110.4S463 S464 G500P461-S463 VanDerWaalsContact C-N 3.31Å; P461-S463 PolarHBondContact O-N 3.48Å; P461-S464 PolarHBondContact O-N 2.64Å; P461-G500 WeakPolarHBondContact CA-O 3.42Å
462L97.2Very high92.7Very high0 Ų055.6 Ų55.60%033%0.328CS..Hα-helixtrans-61.6-39.2-177-67.1175.7000111.6N16 I451 S464 I465 V466 I492 T494 H498 N501N16-L462 PolarHBondContact OD1-N 3.05Å; I451-L462 HydrophobicContact CD1-CD2 3.81Å; I451-L462 HydrophobicContact CG1-CD2 3.87Å; L462-S464 VanDerWaalsContact C-N 3.27Å; L462-S464 PolarHBondContact O-N 2.82Å; L462-I465 HydrophobicContact CD2-CD1 4.34Å; L462-I465 WeakPolarHBondContact O-CB 3.19Å; L462-I465 PolarHBondContact O-N 2.92Å; L462-V466 PolarHBondContact O-N 2.93Å; L462-V466 VanDerWaalsContact O-N 3.15Å; L462-I492 HydrophobicContact CD2-CG2 4.1Å; L462-T494 HydrophobicContact CD1-CG2 4.14Å; L462-T494 HydrophobicContact CD2-CG2 4.26Å; L462-H498 HydrophobicContact CD1-CB 4.18Å; L462-H498 HydrophobicContact CG-CB 4.47Å; L462-N501 PolarHBondContact N-OD1 2.81Å
463S97.7Very high93.2Very high8 Ų849.5 Ų49.56%0.05630%0.302CS..Hα-helixtrans-58.2-37.517777.40000112.7S15 N16 F26 P461 I465 V466 E467S15-S463 WeakPolarHBondContact O-CB 3.42Å; N16-S463 WeakPolarHBondContact ND2-CB 3.37Å; N16-S463 PolarHBondContact ND2-OG 3.12Å; N16-S463 PolarHBondContact OD1-N 3Å; F26-S463 WeakPolarHBondContact O-CB 3.21Å; P461-S463 VanDerWaalsContact C-N 3.31Å; P461-S463 PolarHBondContact O-N 3.48Å; S463-I465 PolarHBondContact O-N 3.5Å; S463-V466 CarbonylContact O-C 3.56Å; S463-V466 WeakPolarHBondContact O-CA 3.18Å; S463-V466 WeakPolarHBondContact O-CB 3.35Å; S463-V466 PolarHBondContact O-N 3.39Å; S463-V466 VanDerWaalsContact O-N 3.08Å; S463-E467 WeakPolarHBondContact O-CG 3.28Å; S463-E467 PolarHBondContact O-N 2.82Å
464S97.7Very high93.8Very high32 Ų3247.6 Ų47.622%0.22429%0.287CS..Hα-helixtrans-69.6-22.6178.3178.50000112.8R460 P461 L462 E468R460-S464 PolarHBondContact NH2-O 2.87Å; R460-S464 PolarHBondContact NH2-OG 3.4Å; R460-S464 VanDerWaalsContact NH2-OG 3.15Å; P461-S464 PolarHBondContact O-N 2.64Å; L462-S464 VanDerWaalsContact C-N 3.27Å; L462-S464 PolarHBondContact O-N 2.82Å; S464-E468 PolarHBondContact O-N 2.83Å
465I98.1Very high94.4Very high0 Ų043.8 Ų43.80%027%0.269CS..Hα-helixtrans-76.6-37.6171.1-57.2172.8000109.6V447 K450 I451 R460 L462 S463 L469 I492V447-I465 HydrophobicContact CG2-CG2 4.3Å; K450-I465 HydrophobicContact CB-CD1 4.17Å; K450-I465 HydrophobicContact CB-CG1 4.09Å; K450-I465 HydrophobicContact CB-CG2 3.86Å; K450-I465 HydrophobicContact CD-CG2 4.16Å; K450-I465 WeakPolarHBondContact O-CD1 3.44Å; I451-I465 HydrophobicContact CB-CD1 4.16Å; I451-I465 HydrophobicContact CG1-CD1 4.36Å; R460-I465 HydrophobicContact CB-CD1 4.45Å; R460-I465 HydrophobicContact CB-CG1 4.23Å; L462-I465 HydrophobicContact CD2-CD1 4.34Å; L462-I465 WeakPolarHBondContact O-CB 3.19Å; L462-I465 PolarHBondContact O-N 2.92Å; S463-I465 PolarHBondContact O-N 3.5Å; I465-L469 PolarHBondContact O-N 3.48Å; I465-I492 HydrophobicContact CB-CD1 4.05Å; I465-I492 HydrophobicContact CG2-CD1 3.81Å
466V98.7Very high95Very high0 Ų044.1 Ų44.10%026%0.26CS..Hα-helixtrans-67.3-46.4174.1-169.80000111.5A27 L462 S463 E468 L469 L470 C490 I492A27-V466 HydrophobicContact CB-CB 3.89Å; A27-V466 HydrophobicContact CB-CG1 3.72Å; L462-V466 PolarHBondContact O-N 2.93Å; L462-V466 VanDerWaalsContact O-N 3.15Å; S463-V466 CarbonylContact O-C 3.56Å; S463-V466 WeakPolarHBondContact O-CA 3.18Å; S463-V466 WeakPolarHBondContact O-CB 3.35Å; S463-V466 PolarHBondContact O-N 3.39Å; S463-V466 VanDerWaalsContact O-N 3.08Å; V466-E468 VanDerWaalsContact C-N 3.26Å; V466-E468 PolarHBondContact O-N 2.87Å; V466-L469 CarbonylContact O-C 3.6Å; V466-L469 WeakPolarHBondContact O-CA 3.38Å; V466-L469 VanDerWaalsContact O-CB 3.28Å; V466-L469 WeakPolarHBondContact O-CB 3.18Å; V466-L469 PolarHBondContact O-N 2.81Å; V466-L470 HydrophobicContact CG1-CD2 3.8Å; V466-L470 HydrophobicContact CG1-CG 4.26Å; V466-L470 WeakPolarHBondContact O-CG 3.21Å; V466-L470 PolarHBondContact O-N 2.86Å; V466-C490 HydrophobicContact CG1-CB 3.55Å; V466-C490 WeakPolarHBondContact CG1-O 3.28Å; V466-I492 HydrophobicContact CG2-CB 4.44Å; V466-I492 HydrophobicContact CG2-CD1 3.59Å; V466-I492 HydrophobicContact CG2-CG1 3.8Å
467E98.6Very high95.6Very high55 Ų5543.7 Ų43.726%0.25725%0.251SS..Hα-helixtrans-51.9-45.3177.5-72.4165.8178.600111.9K12 S14 A27 S463 L469 L470 D471K12-E467 HydrophobicContact CD-CB 3.86Å; K12-E467 HydrophobicContact CD-CG 3.77Å; K12-E467 WeakPolarHBondContact CE-O 3.27Å; S14-E467 VanDerWaalsContact CB-OE1 3.23Å; S14-E467 WeakPolarHBondContact CB-OE1 3.42Å; S14-E467 PolarHBondContact OG-OE1 2.87Å; A27-E467 HydrophobicContact CB-CG 3.92Å; S463-E467 WeakPolarHBondContact O-CG 3.28Å; S463-E467 PolarHBondContact O-N 2.82Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 3.41Å; E467-L470 PolarHBondContact O-N 2.84Å; E467-D471 PolarHBondContact O-N 3.23Å
468E98.4Very high96.2Very high74 Ų7443.7 Ų43.735%0.34624%0.24SC..Hα-helixtrans-69.5-27.1176.4-166.9-178.3144.700112.9F446 K450 R460 S464 V466 H472F446-E468 HydrophobicContact CZ-CB 4.37Å; F446-E468 HydrophobicContact CZ-CG 4.14Å; K450-E468 WeakPolarHBondContact CE-OE1 3.43Å; R460-E468 IonicContact CZ-OE2 2.68Å; R460-E468 IonicContact NH1-OE2 3.21Å; R460-E468 PolarHBondContact NH1-OE2 3.5Å; R460-E468 IonicContact NH2-OE2 3.22Å; R460-E468 PolarHBondContact NH2-OE2 2.83Å; S464-E468 PolarHBondContact O-N 2.83Å; V466-E468 VanDerWaalsContact C-N 3.26Å; V466-E468 PolarHBondContact O-N 2.87Å; E468-H472 WeakPolarHBondContact O-CB 3.38Å; E468-H472 PolarHBondContact O-N 3.39Å; E468-H472 VanDerWaalsContact O-N 3.13Å
469L98.6Very high96.4Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-71.2-42.2171.8-17764.7000111I434 M438 V443 F446 I465 V466 E467 H472 C473I434-L469 HydrophobicContact CG2-CD2 4.22Å; I434-L469 HydrophobicContact CG2-CG 4.5Å; M438-L469 HydrophobicContact CE-CD1 4.08Å; M438-L469 HydrophobicContact SD-CD1 3.53Å; M438-L469 VanDerWaalsContact SD-CD1 3.53Å; V443-L469 HydrophobicContact CG1-CD2 4.05Å; F446-L469 HydrophobicContact CD1-CB 4.31Å; F446-L469 HydrophobicContact CD1-CD1 3.85Å; F446-L469 HydrophobicContact CD2-CD1 4.28Å; F446-L469 HydrophobicContact CE1-CB 3.71Å; F446-L469 HydrophobicContact CE1-CD1 3.94Å; F446-L469 HydrophobicContact CE1-CG 4.4Å; F446-L469 HydrophobicContact CE2-CD1 4.34Å; F446-L469 HydrophobicContact CG-CD1 4.05Å; F446-L469 HydrophobicContact CZ-CB 4.11Å; F446-L469 HydrophobicContact CZ-CD1 4.18Å; I465-L469 PolarHBondContact O-N 3.48Å; V466-L469 CarbonylContact O-C 3.6Å; V466-L469 WeakPolarHBondContact O-CA 3.38Å; V466-L469 VanDerWaalsContact O-CB 3.28Å; V466-L469 WeakPolarHBondContact O-CB 3.18Å; V466-L469 PolarHBondContact O-N 2.81Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 3.41Å; L469-H472 WeakPolarHBondContact O-CB 3.36Å; L469-H472 PolarHBondContact O-N 3.07Å; L469-H472 VanDerWaalsContact O-N 3.14Å; L469-C473 PolarHBondContact O-N 3.36Å; L469-C473 PolarHBondContact O-SG 2.97Å
470L98.6Very high96.4Very high0 Ų046.9 Ų46.90%028%0.276CS..Hα-helixtrans-64.3-42.6176.1-42.4-168.6000110.7K12 A27 M29 I434 V466 E467 H472 C473 L474 M488 C490K12-L470 HydrophobicContact CD-CD1 4.28Å; A27-L470 HydrophobicContact CB-CD1 3.82Å; A27-L470 HydrophobicContact CB-CG 4.41Å; M29-L470 HydrophobicContact CB-CD1 3.6Å; M29-L470 HydrophobicContact CE-CB 3.88Å; M29-L470 HydrophobicContact SD-CB 4.47Å; I434-L470 HydrophobicContact CD1-CD2 3.79Å; V466-L470 HydrophobicContact CG1-CD2 3.8Å; V466-L470 HydrophobicContact CG1-CG 4.26Å; V466-L470 WeakPolarHBondContact O-CG 3.21Å; V466-L470 PolarHBondContact O-N 2.86Å; E467-L470 PolarHBondContact O-N 2.84Å; L470-H472 PolarHBondContact O-N 3.07Å; L470-C473 PolarHBondContact O-N 3.24Å; L470-L474 PolarHBondContact O-N 3.25Å; L470-M488 WeakPolarHBondContact CD1-O 3.38Å; L470-M488 HydrophobicContact CD2-CB 4.26Å; L470-C490 HydrophobicContact CD2-CB 4.1Å
471D98.5Very high96.1Very high88 Ų8849.6 Ų49.647%0.47130%0.297SS..Hα-helixtrans-66-20.1174.7-78-39000113.5K12 E467K12-D471 WeakPolarHBondContact CE-OD2 3.18Å; K12-D471 IonicContact NZ-OD1 3.75Å; K12-D471 PolarHBondContact NZ-OD1 2.98Å; K12-D471 IonicContact NZ-OD2 2.66Å; K12-D471 PolarHBondContact NZ-OD2 3.38Å; E467-D471 PolarHBondContact O-N 3.23Å
472H98Very high95.9Very high113 Ų11347.9 Ų47.952%0.52329%0.289SS..Hα-helixtrans-86.7-26.3173.9-173.2-82.8000112.7M438 F446 E468 L469 L470M438-H472 PolarHBondContact SD-ND1 2.72Å; M438-H472 VanDerWaalsContact SD-ND1 3.36Å; F446-H472 HydrophobicContact CE2-CB 4.04Å; F446-H472 AromaticContact CE2-CG 3.93Å; F446-H472 HydrophobicContact CZ-CB 4.38Å; E468-H472 WeakPolarHBondContact O-CB 3.38Å; E468-H472 PolarHBondContact O-N 3.39Å; E468-H472 VanDerWaalsContact O-N 3.13Å; L469-H472 WeakPolarHBondContact O-CB 3.36Å; L469-H472 PolarHBondContact O-N 3.07Å; L469-H472 VanDerWaalsContact O-N 3.14Å; L470-H472 PolarHBondContact O-N 3.07Å
473C98.2Very high95.7Very high3 Ų350.8 Ų50.82%0.0231%0.307CS..Hα-helixtrans-88.1-25179-61.70000113.2I434 V437 L469 L470 A475 G484 M488I434-C473 HydrophobicContact CD1-CB 3.9Å; V437-C473 HydrophobicContact CB-CB 4.14Å; V437-C473 HydrophobicContact CG1-CB 4.35Å; V437-C473 HydrophobicContact CG2-CB 4.05Å; L469-C473 PolarHBondContact O-N 3.36Å; L469-C473 PolarHBondContact O-SG 2.97Å; L470-C473 PolarHBondContact O-N 3.24Å; C473-A475 PolarHBondContact O-N 3.43Å; C473-G484 VanDerWaalsContact O-CA 3.22Å; C473-G484 WeakPolarHBondContact O-CA 3.4Å; C473-M488 HydrophobicContact CB-SD 3.77Å
474L98.2Very high95.6Very high36 Ų3650.6 Ų50.619%0.18831%0.305CS..SBendtrans-62125.7-178.6179.265.1000113.4P8 T10 M29 L470 M488P8-L474 HydrophobicContact CB-CD1 4Å; P8-L474 HydrophobicContact CB-CD2 4.45Å; P8-L474 HydrophobicContact CG-CD1 4.5Å; P8-L474 HydrophobicContact CG-CD2 4.33Å; T10-L474 HydrophobicContact CG2-CD2 3.53Å; M29-L474 HydrophobicContact CE-CB 4Å; M29-L474 HydrophobicContact CE-CD1 4.25Å; M29-L474 HydrophobicContact CE-CD2 4.04Å; M29-L474 HydrophobicContact CE-CG 4.33Å; L470-L474 PolarHBondContact O-N 3.25Å; L474-M488 HydrophobicContact CB-CE 4.09Å; L474-M488 HydrophobicContact CD1-CE 3.82Å
475A96.9Very high95.6Very high12 Ų1249.2 Ų49.210%0.09930%0.296CS..  trans-66.1142.7175.500000112.6W32 C473 G484W32-A475 PolarHBondContact NE1-O 3.06Å; C473-A475 PolarHBondContact O-N 3.43Å; A475-G484 WeakPolarHBondContact CB-O 3.16Å; A475-G484 PolarHBondContact N-O 2.94Å
476P95.1Very high95.5Very high126 Ų12650.3 Ų50.382%0.81830%0.302SS*.SBendtrans-74-25.417831.1-35.8000113.3
477D94.4Very high95.4Very high78 Ų7850.4 Ų50.442%0.41730%0.302SS..  trans-159.2167.8173.56669.4000110.1S479D477-S479 WeakPolarHBondContact OD1-CB 3.5Å; D477-S479 PolarHBondContact OD1-N 3.14Å; D477-S479 PolarHBondContact OD1-OG 2.55Å
478T93.6Very high95.4Very high56 Ų5647.8 Ų47.834%0.34429%0.29SS..SBendtrans-96.328.1-177.272.10000113.4Y4 W32Y4-T478 HydrophobicContact CD2-CG2 3.82Å; Y4-T478 HydrophobicContact CG-CG2 3.93Å; W32-T478 HydrophobicContact CB-CG2 4.01Å; W32-T478 HydrophobicContact CD2-CG2 3.42Å; W32-T478 VanDerWaalsContact CD2-CG2 3.42Å; W32-T478 HydrophobicContact CE3-CG2 3.35Å; W32-T478 HydrophobicContact CG-CG2 3.77Å; W32-T478 HydrophobicContact CH2-CG2 4.41Å; W32-T478 HydrophobicContact CZ3-CG2 3.87Å
479S90.3Very high95.5Very high104 Ų10444.2 Ų44.273%0.72727%0.273SS*.  trans-90.2-4.5-179.472.60000114.7D477D477-S479 WeakPolarHBondContact OD1-CB 3.5Å; D477-S479 PolarHBondContact OD1-N 3.14Å; D477-S479 PolarHBondContact OD1-OG 2.55Å
480G88.3Confident95.5Very high62 Ų6244.2 Ų44.264%0.63927%0.273SS*.SBendtrans-82.7-154.3173.900000114G482G480-G482 VanDerWaalsContact C-N 3.35Å
481D87.6Confident95.5Very high141 Ų14144.2 Ų44.275%0.75427%0.273SS*.SBendtrans-80.2-10.5178.747.130000114.3T483D481-T483 WeakPolarHBondContact OD1-CB 3.35Å; D481-T483 PolarHBondContact OD1-N 3.38Å; D481-T483 PolarHBondContact OD1-OG1 2.79Å
482G90.4Very high95.5Very high17 Ų1740 Ų4018%0.17525%0.251CS..SBendtrans113.2-12.1-174.800000113.7G480 G484 C485G480-G482 VanDerWaalsContact C-N 3.35Å; G482-G484 PolarHBondContact O-N 3.33Å; G482-C485 WeakPolarHBondContact O-CB 3.27Å; G482-C485 PolarHBondContact O-N 3.23Å; G482-C485 PolarHBondContact O-SG 3.35Å
483T93.9Very high95.5Very high62 Ų6234.7 Ų34.738%0.3823%0.226SC..THydrogen-bonded Turntrans-52.3125175.8-56.30000110.9V437 D481 C485V437-T483 HydrophobicContact CB-CG2 4.35Å; V437-T483 HydrophobicContact CG1-CG2 4.39Å; V437-T483 HydrophobicContact CG2-CG2 3.87Å; D481-T483 WeakPolarHBondContact OD1-CB 3.35Å; D481-T483 PolarHBondContact OD1-N 3.38Å; D481-T483 PolarHBondContact OD1-OG1 2.79Å; T483-C485 VanDerWaalsContact C-N 3.28Å; T483-C485 PolarHBondContact O-N 2.95Å
484G95.6Very high95.4Very high3 Ų335.1 Ų35.13%0.03123%0.229CC..THydrogen-bonded Turntrans74.57.8-178.700000115.6C473 A475 G482 D486C473-G484 VanDerWaalsContact O-CA 3.22Å; C473-G484 WeakPolarHBondContact O-CA 3.4Å; A475-G484 WeakPolarHBondContact CB-O 3.16Å; A475-G484 PolarHBondContact N-O 2.94Å; G482-G484 PolarHBondContact O-N 3.33Å; G484-D486 VanDerWaalsContact C-N 3.34Å
485C96.6Very high95.2Very high3 Ų335.6 Ų35.62%0.0223%0.229CC..  trans-87.1-4.4174.6-61.30000113.4Y4 W32 R33 G482 T483Y4-C485 HydrophobicContact CD1-CB 4.17Å; Y4-C485 HydrophobicContact CE1-CB 3.58Å; Y4-C485 HydrophobicContact CE2-CB 4.45Å; W32-C485 WeakPolarHBondContact CA-O 3.17Å; W32-C485 HydrophobicContact CB-CB 4.14Å; W32-C485 VanDerWaalsContact CB-O 3.28Å; W32-C485 WeakPolarHBondContact CB-O 3.39Å; W32-C485 HydrophobicContact CG-CB 4.49Å; W32-C485 PolarHBondContact N-O 2.82Å; W32-C485 VanDerWaalsContact N-O 3.08Å; R33-C485 PolarHBondContact N-O 3.17Å; G482-C485 WeakPolarHBondContact O-CB 3.27Å; G482-C485 PolarHBondContact O-N 3.23Å; G482-C485 PolarHBondContact O-SG 3.35Å; T483-C485 VanDerWaalsContact C-N 3.28Å; T483-C485 PolarHBondContact O-N 2.95Å
486D96.6Very high94.7Very high23 Ų2336.4 Ų36.412%0.12324%0.239CC..SBendtrans-87.9177.6-166-125.5-50.3000116R33 G484 M488R33-D486 WeakPolarHBondContact CG-OD1 3.42Å; R33-D486 IonicContact CZ-OD1 3.44Å; R33-D486 IonicContact CZ-OD2 3.36Å; R33-D486 VanDerWaalsContact NE-CG 3.3Å; R33-D486 IonicContact NE-OD1 2.74Å; R33-D486 PolarHBondContact NE-OD1 2.9Å; R33-D486 IonicContact NE-OD2 3.25Å; R33-D486 PolarHBondContact NE-OD2 3.42Å; R33-D486 IonicContact NH2-OD1 3.38Å; R33-D486 PolarHBondContact NH2-OD1 2.55Å; R33-D486 IonicContact NH2-OD2 2.67Å; R33-D486 PolarHBondContact NH2-OD2 3.01Å; G484-D486 VanDerWaalsContact C-N 3.34Å; D486-M488 WeakPolarHBondContact O-CE 3.39Å
487N97.8Very high94Very high2 Ų233.3 Ų33.31%0.01122%0.224CC..  trans-63151.9158.6-68.8170.1000110.6Q30 R33 S35 M36 E37 D38 C431Q30-N487 PolarHBondContact O-ND2 2.8Å; R33-N487 WeakPolarHBondContact CB-ND2 3.25Å; S35-N487 PolarHBondContact O-ND2 2.85Å; S35-N487 PolarHBondContact O-OD1 3.49Å; M36-N487 WeakPolarHBondContact CA-OD1 3.42Å; M36-N487 HydrophobicContact CE-CB 4.18Å; M36-N487 HydrophobicContact SD-CB 4.42Å; E37-N487 PolarHBondContact N-OD1 2.95Å; D38-N487 WeakPolarHBondContact OD1-CB 3.28Å; C431-N487 PolarHBondContact SG-O 3.29Å
488M98.6Very high93.4Very high0 Ų030.3 Ų30.30%021%0.207CC..EExtended strand (participates in β ladder)trans-14593.3-170.3-84177-90.200111.4A28 M29 C431 I434 L470 C473 L474 D486A28-M488 CarbonylContact C-O 3.45Å; A28-M488 VanDerWaalsContact CA-O 3.27Å; A28-M488 WeakPolarHBondContact CA-O 3.38Å; M29-M488 HydrophobicContact CE-CE 3.62Å; M29-M488 HydrophobicContact CE-SD 4.06Å; M29-M488 PolarHBondContact N-O 2.75Å; M29-M488 PolarHBondContact O-N 2.66Å; C431-M488 VanDerWaalsContact SG-CA 3.57Å; I434-M488 HydrophobicContact CD1-CB 4.21Å; I434-M488 HydrophobicContact CD1-CG 3.87Å; I434-M488 HydrophobicContact CD1-SD 4.19Å; L470-M488 WeakPolarHBondContact CD1-O 3.38Å; L470-M488 HydrophobicContact CD2-CB 4.26Å; C473-M488 HydrophobicContact CB-SD 3.77Å; L474-M488 HydrophobicContact CB-CE 4.09Å; L474-M488 HydrophobicContact CD1-CE 3.82Å; D486-M488 WeakPolarHBondContact O-CE 3.39Å
489T98.8Very high92.6Very high0 Ų032.8 Ų32.80%023%0.225CC..EExtended strand (participates in β ladder)trans-110.8130.5170.5-63.80000111.4A28 M36 D38 H40 V55 A430 C431A28-T489 HydrophobicContact CB-CG2 4.27Å; A28-T489 WeakPolarHBondContact CB-OG1 3.42Å; M36-T489 WeakPolarHBondContact CE-OG1 3Å; D38-T489 VanDerWaalsContact CB-OG1 3.27Å; D38-T489 WeakPolarHBondContact CB-OG1 3.37Å; D38-T489 WeakPolarHBondContact OD2-CB 3.39Å; D38-T489 PolarHBondContact OD2-N 2.89Å; D38-T489 PolarHBondContact OD2-OG1 3.02Å; H40-T489 HydrophobicContact CB-CG2 3.98Å; V55-T489 HydrophobicContact CG1-CG2 4.04Å; V55-T489 HydrophobicContact CG2-CG2 4.12Å; A430-T489 VanDerWaalsContact CA-O 3.22Å; A430-T489 WeakPolarHBondContact CA-O 3.38Å; A430-T489 WeakPolarHBondContact CB-O 3.4Å; C431-T489 PolarHBondContact N-O 3.11Å; C431-T489 VanDerWaalsContact N-O 3.12Å; C431-T489 PolarHBondContact SG-N 3.31Å
490C98.8Very high91.6Very high0 Ų028.6 Ų28.60%020%0.197CC..EExtended strand (participates in β ladder)trans-145.6145.3179.4173.50000112.1F26 A27 V428 I429 A430 I434 V466 L470F26-C490 WeakPolarHBondContact CA-O 3.41Å; F26-C490 WeakPolarHBondContact CB-O 3.42Å; A27-C490 PolarHBondContact N-O 2.95Å; A27-C490 PolarHBondContact O-N 3.09Å; V428-C490 VanDerWaalsContact CG1-SG 3.57Å; I429-C490 CarbonylContact O-C 3.59Å; I429-C490 WeakPolarHBondContact O-CA 3.44Å; A430-C490 HydrophobicContact CB-CB 3.7Å; I434-C490 HydrophobicContact CG1-CB 4.34Å; V466-C490 HydrophobicContact CG1-CB 3.55Å; V466-C490 WeakPolarHBondContact CG1-O 3.28Å; L470-C490 HydrophobicContact CD2-CB 4.1Å
491I98.9Very high90.8Very high0 Ų026 Ų260%017%0.169CC..EExtended strand (participates in β ladder)trans-129.5127.8179.6-42.3171.4000109F26 H40 F53 S54 V55 V428 I429 I493F26-I491 HydrophobicContact CB-CB 4.37Å; F26-I491 HydrophobicContact CB-CG1 4.02Å; F26-I491 HydrophobicContact CB-CG2 4.26Å; H40-I491 HydrophobicContact CB-CD1 4.33Å; F53-I491 HydrophobicContact CD1-CG2 4.35Å; S54-I491 WeakPolarHBondContact O-CD1 2.97Å; V55-I491 HydrophobicContact CG2-CD1 3.75Å; V55-I491 HydrophobicContact CG2-CG1 3.96Å; V428-I491 CarbonylContact C-O 3.6Å; V428-I491 VanDerWaalsContact CA-O 3.31Å; V428-I491 WeakPolarHBondContact CA-O 3.41Å; I429-I491 PolarHBondContact N-O 2.76Å; I429-I491 PolarHBondContact O-N 2.75Å; I491-I493 HydrophobicContact CB-CD1 3.98Å; I491-I493 HydrophobicContact CG2-CD1 3.52Å; I491-I493 HydrophobicContact CG2-CG1 3.94Å
492I98.8Very high89.6Confident0 Ų022 Ų220%015%0.152CC..EExtended strand (participates in β ladder)trans-103.3130.8166.9-61.6165.2000108.4F24 G25 F426 V428 V447 I451 L462 I465 V466F24-I492 CarbonylContact C-O 3.51Å; F24-I492 WeakPolarHBondContact CA-O 3.34Å; G25-I492 PolarHBondContact N-O 3.24Å; G25-I492 PolarHBondContact O-N 3.38Å; F426-I492 HydrophobicContact CD2-CG2 4.45Å; V428-I492 HydrophobicContact CG2-CG1 4.35Å; V447-I492 HydrophobicContact CG1-CD1 3.96Å; V447-I492 HydrophobicContact CG1-CG1 4.46Å; V447-I492 HydrophobicContact CG1-CG2 4.19Å; V447-I492 HydrophobicContact CG2-CD1 3.72Å; V447-I492 HydrophobicContact CG2-CG1 4.27Å; I451-I492 HydrophobicContact CD1-CG2 4.32Å; L462-I492 HydrophobicContact CD2-CG2 4.1Å; I465-I492 HydrophobicContact CB-CD1 4.05Å; I465-I492 HydrophobicContact CG2-CD1 3.81Å; V466-I492 HydrophobicContact CG2-CB 4.44Å; V466-I492 HydrophobicContact CG2-CD1 3.59Å; V466-I492 HydrophobicContact CG2-CG1 3.8Å
493I98.3Very high87.9Confident0 Ų028.1 Ų28.10%018%0.178CC..EExtended strand (participates in β ladder)trans-126.6119.7178-51.587.6000110.1S23 F24 F53 F426 M427 I429 I491S23-I493 CarbonylContact O-C 3.55Å; S23-I493 WeakPolarHBondContact O-CA 3.14Å; F24-I493 HydrophobicContact CB-CG1 4.13Å; F53-I493 HydrophobicContact CB-CD1 4.3Å; F53-I493 HydrophobicContact CB-CG1 4.49Å; F53-I493 HydrophobicContact CD1-CD1 4.23Å; F53-I493 HydrophobicContact CD1-CG1 3.69Å; F53-I493 HydrophobicContact CD2-CG1 4.05Å; F53-I493 HydrophobicContact CD2-CG2 4.4Å; F53-I493 HydrophobicContact CE1-CG1 3.83Å; F53-I493 HydrophobicContact CE1-CG2 4.45Å; F53-I493 HydrophobicContact CE2-CG1 4.17Å; F53-I493 HydrophobicContact CE2-CG2 3.86Å; F53-I493 HydrophobicContact CG-CD1 4.15Å; F53-I493 HydrophobicContact CG-CG1 3.81Å; F53-I493 HydrophobicContact CZ-CG1 4.07Å; F53-I493 HydrophobicContact CZ-CG2 3.89Å; F426-I493 CarbonylContact C-O 3.53Å; F426-I493 WeakPolarHBondContact CA-O 3.41Å; F426-I493 VanDerWaalsContact CB-O 3.29Å; F426-I493 WeakPolarHBondContact CB-O 3.35Å; M427-I493 HydrophobicContact CE-CB 4.01Å; M427-I493 HydrophobicContact CE-CD1 3.91Å; M427-I493 HydrophobicContact CE-CG1 4.05Å; M427-I493 HydrophobicContact CE-CG2 4.25Å; M427-I493 HydrophobicContact CG-CB 4.06Å; M427-I493 HydrophobicContact CG-CD1 4.01Å; M427-I493 PolarHBondContact N-O 3.12Å; M427-I493 PolarHBondContact O-N 3.31Å; I429-I493 HydrophobicContact CD1-CD1 4.07Å; I429-I493 HydrophobicContact CG1-CD1 4.12Å; I491-I493 HydrophobicContact CB-CD1 3.98Å; I491-I493 HydrophobicContact CG2-CD1 3.52Å; I491-I493 HydrophobicContact CG2-CG1 3.94Å
494T96.8Very high86.1Confident12 Ų1227.7 Ų27.77%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-90138.4174.654.90000111.6M22 S23 F426 I451 L462 G496 H498M22-T494 VanDerWaalsContact CA-O 3.24Å; M22-T494 WeakPolarHBondContact CA-O 3.46Å; M22-T494 VanDerWaalsContact CB-O 3.28Å; M22-T494 WeakPolarHBondContact CB-O 3.41Å; S23-T494 WeakPolarHBondContact CB-OG1 3.28Å; S23-T494 PolarHBondContact N-O 3.31Å; S23-T494 PolarHBondContact N-OG1 2.81Å; S23-T494 PolarHBondContact O-N 2.94Å; S23-T494 PolarHBondContact O-OG1 2.72Å; F426-T494 HydrophobicContact CB-CG2 4.27Å; I451-T494 HydrophobicContact CD1-CG2 3.62Å; L462-T494 HydrophobicContact CD1-CG2 4.14Å; L462-T494 HydrophobicContact CD2-CG2 4.26Å; T494-G496 PolarHBondContact O-N 3.01Å; T494-G496 PolarHBondContact OG1-O 2.79Å; T494-H498 HydrophobicContact CG2-CB 4.4Å
495F93.3Very high84.5Confident47 Ų4729.6 Ų29.621%0.20619%0.19CC..SBendtrans-79.830.7177.8-56-60.7000113.8K21 I327 L332 V344 L420 H424 D425 F426 M427K21-F495 CarbonylContact O-C 3.53Å; I327-F495 HydrophobicContact CD1-CE1 4.2Å; L332-F495 HydrophobicContact CD2-CZ 4.33Å; V344-F495 HydrophobicContact CG1-CE2 4.33Å; V344-F495 HydrophobicContact CG2-CZ 4.48Å; L420-F495 HydrophobicContact CD1-CD1 3.64Å; L420-F495 HydrophobicContact CD1-CE1 3.8Å; L420-F495 HydrophobicContact CD1-CG 4.32Å; L420-F495 HydrophobicContact CD2-CD1 4.11Å; L420-F495 HydrophobicContact CD2-CD2 4.34Å; L420-F495 HydrophobicContact CD2-CE1 3.79Å; L420-F495 HydrophobicContact CD2-CE2 4.03Å; L420-F495 HydrophobicContact CD2-CG 4.38Å; L420-F495 HydrophobicContact CD2-CZ 3.74Å; L420-F495 HydrophobicContact CG-CE1 4.48Å; H424-F495 HydrophobicContact CB-CD2 3.82Å; H424-F495 HydrophobicContact CB-CE2 3.93Å; D425-F495 PolarHBondContact O-N 3.44Å; F426-F495 VanDerWaalsContact C-CE2 3.45Å; M427-F495 HydrophobicContact CB-CE2 4.48Å; M427-F495 HydrophobicContact CB-CZ 3.93Å; M427-F495 HydrophobicContact CG-CE1 4.43Å; M427-F495 HydrophobicContact CG-CZ 3.98Å; M427-F495 HydrophobicContact SD-CE1 4.26Å; M427-F495 HydrophobicContact SD-CZ 4.09Å
496G86.3Confident82.6Confident29 Ų2931.4 Ų31.430%0.29920%0.199SC..SBendtrans-169.9171.1178.800000110.1K21 M22 S23 T494 H498K21-G496 WeakPolarHBondContact O-CA 3.33Å; K21-G496 PolarHBondContact O-N 3.21Å; M22-G496 CarbonylContact C-O 3.54Å; S23-G496 PolarHBondContact N-O 2.87Å; T494-G496 PolarHBondContact O-N 3.01Å; T494-G496 PolarHBondContact OG1-O 2.79Å; G496-H498 PolarHBondContact O-N 2.95Å
497A80.6Confident80.2Confident61 Ų6134.9 Ų34.950%0.50422%0.221SC..  trans-68.9122.8177.500000111.4S23S23-A497 WeakPolarHBondContact OG-CA 3.29Å
498H82.3Confident77.6Confident15 Ų1538.9 Ų38.97%0.06924%0.242CC..  trans-87.5125.8-177.9-177.857.5000112S23 I451 R460 L462 T494 G496 G500 N501S23-H498 PolarHBondContact OG-N 2.67Å; I451-H498 PolarHBondContact O-CE1 3.43Å; R460-H498 PolarHBondContact O-NE2 2.55Å; L462-H498 HydrophobicContact CD1-CB 4.18Å; L462-H498 HydrophobicContact CG-CB 4.47Å; T494-H498 HydrophobicContact CG2-CB 4.4Å; G496-H498 PolarHBondContact O-N 2.95Å; H498-G500 PolarHBondContact CD2-N 3.27Å; H498-G500 VanDerWaalsContact CD2-N 3.29Å; H498-G500 PolarHBondContact O-N 2.89Å; H498-G500 VanDerWaalsContact O-N 3.09Å; H498-N501 PolarHBondContact O-N 2.61Å
499P75.9Confident74.8Confident108 Ų10846.4 Ų46.470%0.70128%0.275SS*.THydrogen-bonded Turntrans-64.2-14.5-178.2-23.734.3000115.8A459A459-P499 HydrophobicContact CB-CB 4.12Å
500G70.3Confident72Confident15 Ų1554.3 Ų54.316%0.15531%0.305CS..THydrogen-bonded Turntrans-84.8-11.917900000114.8A459 P461 H498A459-G500 WeakPolarHBondContact O-CA 3.18Å; P461-G500 WeakPolarHBondContact CA-O 3.42Å; H498-G500 PolarHBondContact CD2-N 3.27Å; H498-G500 VanDerWaalsContact CD2-N 3.29Å; H498-G500 PolarHBondContact O-N 2.89Å; H498-G500 VanDerWaalsContact O-N 3.09Å
501N71.6Confident68.7Low9 Ų963 Ų635%0.04834%0.343CS..SBendtrans-91.7139.1175.9-69.517.7000109.2N16 G17 F24 L462 H498N16-N501 PolarHBondContact OD1-OD1 2.81Å; G17-N501 PolarHBondContact O-ND2 3.14Å; F24-N501 PolarHBondContact O-ND2 3.36Å; L462-N501 PolarHBondContact N-OD1 2.81Å; H498-N501 PolarHBondContact O-N 2.61Å
502S60.8Low65.3Low56 Ų5669.2 Ų69.239%0.39238%0.383SS..  trans-77.8160.3-174.883.70000112.3A504 D505 I506S502-A504 PolarHBondContact O-N 2.76Å; S502-A504 VanDerWaalsContact O-N 3.11Å; S502-A504 PolarHBondContact OG-N 3.02Å; S502-D505 WeakPolarHBondContact CA-OD2 3.17Å; S502-D505 WeakPolarHBondContact CB-OD2 3.32Å; S502-D505 PolarHBondContact N-OD2 3.05Å; S502-D505 WeakPolarHBondContact O-CB 3.49Å; S502-D505 PolarHBondContact O-N 3.13Å; S502-D505 PolarHBondContact OG-N 3.02Å; S502-D505 PolarHBondContact OG-OD1 2.85Å; S502-D505 PolarHBondContact OG-OD2 3.32Å; S502-I506 WeakPolarHBondContact O-CG1 3.47Å; S502-I506 PolarHBondContact O-N 3.01Å; S502-I506 VanDerWaalsContact O-N 3.08Å
503M56.1Low62.3Low146 Ų14675.4 Ų75.472%0.71941%0.412SS*.THydrogen-bonded Turntrans-61.5-18.3174.1-74.8-69.4-67.100113.5T507M503-T507 WeakPolarHBondContact O-CG2 3.5Å; M503-T507 PolarHBondContact O-OG1 3.35Å
504A55.3Low59Low52 Ų5284.2 Ų84.243%0.4345%0.453SS..THydrogen-bonded Turntrans-75.6-41.7171.400000111.1S502 I506 T507 N508S502-A504 PolarHBondContact O-N 2.76Å; S502-A504 VanDerWaalsContact O-N 3.11Å; S502-A504 PolarHBondContact OG-N 3.02Å; A504-I506 VanDerWaalsContact C-N 3.26Å; A504-I506 PolarHBondContact O-N 3.22Å; A504-T507 PolarHBondContact O-N 3.34Å; A504-T507 PolarHBondContact O-OG1 3.03Å; A504-N508 PolarHBondContact O-N 2.81Å; A504-N508 VanDerWaalsContact O-N 3.09Å; A504-N508 PolarHBondContact O-ND2 2.92Å
505D61.2Low55.9Low44 Ų4490.4 Ų90.424%0.23548%0.484CS..THydrogen-bonded Turntrans-67.6-30.8179.8-46.4-39.7000111.4N16 G17 G18 S502 T507N16-D505 HydrophobicContact CB-CB 4.47Å; G17-D505 WeakPolarHBondContact CA-O 3.4Å; G18-D505 PolarHBondContact N-O 3.43Å; S502-D505 WeakPolarHBondContact CA-OD2 3.17Å; S502-D505 WeakPolarHBondContact CB-OD2 3.32Å; S502-D505 PolarHBondContact N-OD2 3.05Å; S502-D505 WeakPolarHBondContact O-CB 3.49Å; S502-D505 PolarHBondContact O-N 3.13Å; S502-D505 PolarHBondContact OG-N 3.02Å; S502-D505 PolarHBondContact OG-OD1 2.85Å; S502-D505 PolarHBondContact OG-OD2 3.32Å; D505-T507 VanDerWaalsContact C-N 3.3Å; D505-T507 PolarHBondContact O-N 3.43Å
506I57.5Low52.9Low41 Ų4195.4 Ų95.421%0.2151%0.511CS..THydrogen-bonded Turntrans-77.1-11.6174.9-62.7166.1000112.7G18 S502 A504G18-I506 CarbonylContact O-C 3.54Å; G18-I506 WeakPolarHBondContact O-CA 3.43Å; S502-I506 WeakPolarHBondContact O-CG1 3.47Å; S502-I506 PolarHBondContact O-N 3.01Å; S502-I506 VanDerWaalsContact O-N 3.08Å; A504-I506 VanDerWaalsContact C-N 3.26Å; A504-I506 PolarHBondContact O-N 3.22Å
507T45.8Very low50.2Low96 Ų9699 Ų9959%0.58953%0.53SS*.THydrogen-bonded Turntrans-119.4-3.2-176.753.20000115.1M503 A504 D505 K509M503-T507 WeakPolarHBondContact O-CG2 3.5Å; M503-T507 PolarHBondContact O-OG1 3.35Å; A504-T507 PolarHBondContact O-N 3.34Å; A504-T507 PolarHBondContact O-OG1 3.03Å; D505-T507 VanDerWaalsContact C-N 3.3Å; D505-T507 PolarHBondContact O-N 3.43Å; T507-K509 PolarHBondContact O-N 2.92Å
508N43.3Very low47.8Very low86 Ų86104.5 Ų104.546%0.4655%0.545SS..  trans-73.581.4179.5-87.2-35.7000113.1A504 R510A504-N508 PolarHBondContact O-N 2.81Å; A504-N508 VanDerWaalsContact O-N 3.09Å; A504-N508 PolarHBondContact O-ND2 2.92Å; N508-R510 HydrophobicContact CB-CG 4.39Å; N508-R510 PolarHBondContact O-N 3.16Å
509K39.2Very low45.3Very low157 Ų157113.8 Ų113.868%0.68359%0.585SS**  trans-68.377.3160.8-76.6-179.8176.9-83.40110.4E45 T507E45-K509 IonicContact OE1-NZ 2.68Å; E45-K509 PolarHBondContact OE1-NZ 3Å; E45-K509 IonicContact OE2-NZ 2.6Å; E45-K509 PolarHBondContact OE2-NZ 3.01Å; T507-K509 PolarHBondContact O-N 2.92Å
510R40.5Very low43Very low167 Ų167115.6 Ų115.663%0.6359%0.589SS**PPolyproline II helixtrans-79.4142.5170.1-61-153.8-172.6175.38110.6N508 E513N508-R510 HydrophobicContact CB-CG 4.39Å; N508-R510 PolarHBondContact O-N 3.16Å; R510-E513 WeakPolarHBondContact CD-OE1 3.46Å; R510-E513 IonicContact CZ-OE1 3.62Å; R510-E513 IonicContact NE-OE1 2.73Å; R510-E513 IonicContact NH1-OE1 2.9Å; R510-E513 PolarHBondContact NH1-OE1 3.31Å; R510-E513 IonicContact NH1-OE2 2.74Å
511K29.1Very low41Very low183 Ų183118.1 Ų118.180%0.79661%0.614SS**PPolyproline II helixtrans-76.8167.5162-68.7-177.5175.5-174.20108.7E513K511-E513 PolarHBondContact O-N 3.46Å
512P29.1Very low39Very low130 Ų130125.2 Ų125.284%0.84465%0.653SS**PPolyproline II helixtrans-49.9130.4165-25.235.1000110
513E34.1Very low37.6Very low130 Ų130130.2 Ų130.261%0.60768%0.675SS**PPolyproline II helixtrans-85.1124.5178.4-63.6-170.5158.200108.5R510 K511 I515R510-E513 WeakPolarHBondContact CD-OE1 3.46Å; R510-E513 IonicContact CZ-OE1 3.62Å; R510-E513 IonicContact NE-OE1 2.73Å; R510-E513 IonicContact NH1-OE1 2.9Å; R510-E513 PolarHBondContact NH1-OE1 3.31Å; R510-E513 IonicContact NH1-OE2 2.74Å; K511-E513 PolarHBondContact O-N 3.46Å; E513-I515 PolarHBondContact O-N 3.21Å
514E28.9Very low36.6Very low184 Ų184127.7 Ų127.786%0.8667%0.671SS**PPolyproline II helixtrans-65.7118.5171-68.2176.8144.100108.1I516E514-I516 PolarHBondContact O-N 3.09Å
515I33.6Very low35.6Very low143 Ų143135.6 Ų135.673%0.73370%0.696SS**  trans-63.9110.7176.6-60.5172000107.8E513 P517E513-I515 PolarHBondContact O-N 3.21Å; I515-P517 WeakPolarHBondContact O-CD 3.14Å
516I28.9Very low34.3Very low151 Ų151143 Ų14377%0.77473%0.727SS**  trans-86.6114.5178.5-54.6179.7000108.2E514E514-I516 PolarHBondContact O-N 3.09Å
517P30.3Very low33.1Very low105 Ų105146.8 Ų146.868%0.68276%0.756SS**  trans-67.9135.2177.227.4-34.2000111.1I515 K519I515-P517 WeakPolarHBondContact O-CD 3.14Å; P517-K519 PolarHBondContact O-N 3.18Å
518E30.5Very low32.4Very low176 Ų176152.1 Ų152.182%0.82277%0.771SS**  trans-65.2115.8-179.8-73.7-150138.500112.2N520E518-N520 PolarHBondContact O-N 3.38Å
519K29.4Very low32.1Very low211 Ų211153.4 Ų153.492%0.91779%0.787SS**  trans-80.882.1168-76.4-165.4172.8-174.50111.8P517P517-K519 PolarHBondContact O-N 3.18Å
520N28.5Very low31.9Very low146 Ų146158.9 Ų158.978%0.78182%0.815SS**  trans-64.2143.9156.1-98.3-57.5000110.5E518E518-N520 PolarHBondContact O-N 3.38Å
521G27.5Very low31.5Very low67 Ų67158.5 Ų158.569%0.69182%0.824SS**  trans129.470.3168.400000117.7
522N30.4Very low31.6Very low159 Ų159157.2 Ų157.285%0.8583%0.826SS**  trans47.1104.1130.7-171.632.1000119.3
523D30.8Very low31.8Very low160 Ų160158.7 Ų158.786%0.85683%0.825SS**  trans-128.8141.4156-162.32.5000112
524S35.1Very low31.6Very low93 Ų93160.4 Ų160.465%0.6584%0.837SS**  trans-105.5106.3-159.664.30000112.4K526S524-K526 PolarHBondContact O-N 3.22Å
525K33.7Very low31.8Very low218 Ų218158.9 Ų158.995%0.94884%0.836SS**  trans-6491.4-179.8-83.2-177.9175.7170.90112.8
526K34.3Very low31.7Very low201 Ų201159.9 Ų159.987%0.87484%0.843SS**  trans-98.299.7166.1-147.4170.4-164.9168.10109.1S524S524-K526 PolarHBondContact O-N 3.22Å
527S33.2Very low31.9Very low119 Ų119160.6 Ų160.683%0.83285%0.848SS**  trans-69.3133.7179.744.80000111.9
528K30.6Very low32Very low209 Ų209164.8 Ų164.891%0.90986%0.86SS**  trans-136.2131155.2-90.6-164.7170.1-169.10109.5
529S36.7Very low32.1Very low112 Ų112163.9 Ų163.978%0.78386%0.863SS**  trans-82.6139.216350.80000109.9
530E35.1Very low32.4Very low272 Ų272159.6 Ų159.6100%1.27186%0.859SS**  -159.60113.3-101.9172.5165.100109.6

Retrieved 530 of 530 residues in 2498.9 ms (Link to these results)

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