A0A060Y5S2_ONCMY Loading...

Mth938 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060Y5S2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene aamdc, Length 122 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
1M81.1Confident96.2Very high199 Ų19971.9 Ų71.998%0.9840%0.399SS*.  0150.10-64.4-173.3-114.900108.3P30M1-P30 WeakPolarHBondContact O-CB 3.37Å
2S94.8Very high96.3Very high103 Ų10367.8 Ų67.872%0.7239%0.385SS*.PPolyproline II helixtrans-86.1157178.854.40000111.6G31S2-G31 PolarHBondContact O-N 2.58Å
3S98Very high96.5Very high6 Ų667.4 Ų67.44%0.04238%0.378CS..PPolyproline II helixtrans-69133170.4-60.90000110.1P30 V108 V114S3-P30 WeakPolarHBondContact OG-CG 3.5Å; S3-V108 WeakPolarHBondContact O-CG1 3.31Å; S3-V114 VanDerWaalsContact CB-O 3.29Å; S3-V114 WeakPolarHBondContact CB-O 3.45Å; S3-V114 PolarHBondContact OG-N 2.92Å; S3-V114 PolarHBondContact OG-O 2.63Å
4P97.9Very high96.6Very high21 Ų2162.6 Ų62.614%0.13635%0.351CS..PPolyproline II helixtrans-78.2143.2-17932.3-35.4000110.8V16 V28 W29 Y104P4-V16 HydrophobicContact CB-CG1 3.57Å; P4-V16 HydrophobicContact CG-CG1 3.63Å; P4-V28 HydrophobicContact CG-CB 4.49Å; P4-W29 WeakPolarHBondContact CD-O 3.34Å; P4-Y104 WeakPolarHBondContact O-CE1 3.27Å; P4-Y104 PolarHBondContact O-OH 2.7Å
5E98.5Very high96.7Very high75 Ų7565.3 Ų65.335%0.3536%0.358SS..PPolyproline II helixtrans-68.4138.6173.3-173.2-172.3168.500110.8A7 K17E5-A7 PolarHBondContact O-N 2.91Å; E5-K17 HydrophobicContact CB-CB 4.17Å; E5-K17 HydrophobicContact CB-CD 4.06Å; E5-K17 WeakPolarHBondContact O-CB 3.34Å; E5-K17 PolarHBondContact O-N 3.43Å; E5-K17 WeakPolarHBondContact OE2-CD 3.19Å; E5-K17 IonicContact OE2-NZ 2.82Å; E5-K17 PolarHBondContact OE2-NZ 2.99Å
6I98.6Very high96.9Very high4 Ų461.4 Ų61.42%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-82.6109.2167.9-62168.3000107.4M14 K15 V16 V28 I101 Y104 N105 F118I6-M14 HydrophobicContact CD1-CE 4.29Å; I6-M14 HydrophobicContact CG2-CE 4.01Å; I6-K15 CarbonylContact C-O 3.48Å; I6-V16 HydrophobicContact CG1-CG2 4.47Å; I6-V28 HydrophobicContact CG1-CG1 4.47Å; I6-I101 HydrophobicContact CB-CG2 4.03Å; I6-I101 HydrophobicContact CD1-CG1 3.94Å; I6-I101 HydrophobicContact CG2-CD1 3.97Å; I6-I101 HydrophobicContact CG2-CG1 4.29Å; I6-I101 HydrophobicContact CG2-CG2 4.01Å; I6-Y104 HydrophobicContact CD1-CD1 3.66Å; I6-Y104 HydrophobicContact CD1-CE1 3.9Å; I6-Y104 HydrophobicContact CD1-CG 4.29Å; I6-Y104 HydrophobicContact CG1-CD1 3.94Å; I6-Y104 HydrophobicContact CG1-CE1 3.79Å; I6-N105 PolarHBondContact N-OD1 2.99Å; I6-N105 PolarHBondContact O-ND2 3.03Å; I6-F118 HydrophobicContact CD1-CD1 4.31Å; I6-F118 HydrophobicContact CD1-CD2 3.69Å; I6-F118 HydrophobicContact CD1-CE1 4.07Å; I6-F118 HydrophobicContact CD1-CE2 3.44Å; I6-F118 VanDerWaalsContact CD1-CE2 3.44Å; I6-F118 HydrophobicContact CD1-CG 4.14Å; I6-F118 HydrophobicContact CD1-CZ 3.63Å
7A98.1Very high96.9Very high60 Ų6065.5 Ų65.550%0.49635%0.35SS..EExtended strand (participates in β ladder)trans-79.4-29.9-168.400000113.7E5 K15E5-A7 PolarHBondContact O-N 2.91Å; A7-K15 PolarHBondContact N-O 3.22Å
8S97.8Very high96.7Very high49 Ų4966.8 Ų66.834%0.34338%0.381SS..EExtended strand (participates in β ladder)trans-159.8148.7177.865.50000112.1M14 K15S8-M14 WeakPolarHBondContact O-CA 3.31Å; S8-K15 PolarHBondContact N-O 3.13Å; S8-K15 PolarHBondContact O-N 3.06Å; S8-K15 WeakPolarHBondContact OG-CB 3.44Å
9L98.4Very high96.5Very high46 Ų4665.4 Ų65.424%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-127.9136.3171.1174.469.3000109.4M14 M71 T97 E98 I101L9-M14 HydrophobicContact CD1-CE 4.31Å; L9-M14 HydrophobicContact CD1-CG 3.65Å; L9-M14 HydrophobicContact CD1-SD 4.15Å; L9-M71 HydrophobicContact CD1-CE 3.79Å; L9-M71 HydrophobicContact CD2-CE 3.64Å; L9-M71 HydrophobicContact CD2-SD 4.2Å; L9-M71 HydrophobicContact CG-CE 3.74Å; L9-T97 HydrophobicContact CD1-CG2 4.21Å; L9-T97 HydrophobicContact CD2-CG2 3.94Å; L9-E98 HydrophobicContact CD2-CG 3.71Å; L9-I101 HydrophobicContact CB-CD1 3.65Å; L9-I101 HydrophobicContact CD1-CD1 4.01Å; L9-I101 HydrophobicContact CD2-CD1 3.58Å; L9-I101 HydrophobicContact CG-CD1 3.93Å
10S97.3Very high96Very high61 Ų6168.5 Ų68.543%0.42740%0.402SS..EExtended strand (participates in β ladder)trans-145.2173.7159.260.50000108.9G12 H13S10-G12 PolarHBondContact O-N 3.05Å; S10-G12 VanDerWaalsContact O-N 3.07Å; S10-H13 PolarHBondContact N-O 3.27Å; S10-H13 PolarHBondContact O-N 2.95Å
11W97.6Very high95.8Very high167 Ų16768.5 Ų68.563%0.63341%0.405SS*.THydrogen-bonded Turntrans-54.8117.7-178.9-172-84.4000112.3H13 M71 T121 C122W11-H13 PolarHBondContact O-N 3.35Å; W11-M71 HydrophobicContact CE3-CG 4.11Å; W11-M71 HydrophobicContact CZ3-CB 4.2Å; W11-M71 HydrophobicContact CZ3-CG 4.16Å; W11-T121 HydrophobicContact CD2-CG2 4.09Å; W11-T121 HydrophobicContact CG-CG2 4.22Å; W11-T121 HydrophobicContact CZ2-CG2 4.2Å; W11-C122 WeakPolarHBondContact CH2-SG 3.18Å
12G97.8Very high96.5Very high23 Ų2361.9 Ų61.924%0.23738%0.379CS..THydrogen-bonded Turntrans68.815179.500000114.6S10 K24 S120S10-G12 PolarHBondContact O-N 3.05Å; S10-G12 VanDerWaalsContact O-N 3.07Å; G12-K24 WeakPolarHBondContact O-CA 3.29Å; G12-S120 WeakPolarHBondContact CA-OG 3.2Å; G12-S120 PolarHBondContact N-O 3.3Å; G12-S120 PolarHBondContact N-OG 3.23Å
13H98.3Very high96.7Very high62 Ų6258.1 Ų58.129%0.28735%0.349SS..EExtended strand (participates in β ladder)trans-148.3126.4-176.1-164.992.8000112.7S10 W11 K15 S22 Y23S10-H13 PolarHBondContact N-O 3.27Å; S10-H13 PolarHBondContact O-N 2.95Å; W11-H13 PolarHBondContact O-N 3.35Å; H13-K15 WeakPolarHBondContact NE2-CE 3.46Å; H13-S22 WeakPolarHBondContact CE1-CB 3.4Å; H13-S22 PolarHBondContact CE1-OG 3.06Å; H13-S22 WeakPolarHBondContact NE2-CB 3.48Å; H13-Y23 CarbonylContact C-O 3.48Å; H13-Y23 VanDerWaalsContact CA-O 3.32Å; H13-Y23 WeakPolarHBondContact CA-O 3.38Å
14M98.6Very high96.7Very high0 Ų063.7 Ų63.70%037%0.372CS..EExtended strand (participates in β ladder)trans-134.2144.7-179.9-62.4-173.972.200110.4I6 S8 L9 S22 Y23 I101 F118I6-M14 HydrophobicContact CD1-CE 4.29Å; I6-M14 HydrophobicContact CG2-CE 4.01Å; S8-M14 WeakPolarHBondContact O-CA 3.31Å; L9-M14 HydrophobicContact CD1-CE 4.31Å; L9-M14 HydrophobicContact CD1-CG 3.65Å; L9-M14 HydrophobicContact CD1-SD 4.15Å; M14-S22 WeakPolarHBondContact O-CA 3.49Å; M14-Y23 PolarHBondContact N-O 3.39Å; M14-Y23 PolarHBondContact O-N 3.45Å; M14-I101 HydrophobicContact CE-CD1 3.63Å; M14-I101 HydrophobicContact CE-CG1 4.27Å; M14-F118 HydrophobicContact CE-CB 3.4Å; M14-F118 VanDerWaalsContact CE-CB 3.4Å; M14-F118 HydrophobicContact CE-CD2 4.42Å; M14-F118 HydrophobicContact CE-CG 3.89Å; M14-F118 HydrophobicContact SD-CB 3.73Å
15K98.6Very high96.7Very high104 Ų10463.1 Ų63.145%0.45237%0.368SS..EExtended strand (participates in β ladder)trans-126.8137.2172.4-63.3-178.2-179.8177.70110.3I6 A7 S8 H13I6-K15 CarbonylContact C-O 3.48Å; A7-K15 PolarHBondContact N-O 3.22Å; S8-K15 PolarHBondContact N-O 3.13Å; S8-K15 PolarHBondContact O-N 3.06Å; S8-K15 WeakPolarHBondContact OG-CB 3.44Å; H13-K15 WeakPolarHBondContact NE2-CE 3.46Å
16V98.5Very high96.7Very high3 Ų359.5 Ų59.52%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-113132.7177.2-179.90000108.6P4 I6 G18 C19 Y23 V28P4-V16 HydrophobicContact CB-CG1 3.57Å; P4-V16 HydrophobicContact CG-CG1 3.63Å; I6-V16 HydrophobicContact CG1-CG2 4.47Å; V16-G18 PolarHBondContact O-N 3.22Å; V16-C19 HydrophobicContact CB-CB 4.3Å; V16-C19 WeakPolarHBondContact O-CB 3.33Å; V16-C19 PolarHBondContact O-N 3.19Å; V16-Y23 HydrophobicContact CB-CE2 4.26Å; V16-Y23 HydrophobicContact CG2-CD2 4.12Å; V16-Y23 HydrophobicContact CG2-CE2 3.85Å; V16-V28 HydrophobicContact CG1-CG1 4.39Å; V16-V28 HydrophobicContact CG2-CG1 3.84Å
17K97.2Very high96.7Very high130 Ų13059.4 Ų59.457%0.56535%0.35SS*.THydrogen-bonded Turntrans-61.3132-178.2-170.1174.2-172.5173.10110.5E5 C19E5-K17 HydrophobicContact CB-CB 4.17Å; E5-K17 HydrophobicContact CB-CD 4.06Å; E5-K17 WeakPolarHBondContact O-CB 3.34Å; E5-K17 PolarHBondContact O-N 3.43Å; E5-K17 WeakPolarHBondContact OE2-CD 3.19Å; E5-K17 IonicContact OE2-NZ 2.82Å; E5-K17 PolarHBondContact OE2-NZ 2.99Å; K17-C19 VanDerWaalsContact C-N 3.27Å; K17-C19 PolarHBondContact O-N 3.48Å
18G93.1Very high96.7Very high89 Ų8956.5 Ų56.592%0.91833%0.327SS*.THydrogen-bonded Turntrans81.7-1-175.800000114.6V16V16-G18 PolarHBondContact O-N 3.22Å
19C92.9Very high96.8Very high41 Ų4155.3 Ų55.328%0.27732%0.315SS..  trans-100.5132.6168-167.80000110.5V16 K17 S21 Y23V16-C19 HydrophobicContact CB-CB 4.3Å; V16-C19 WeakPolarHBondContact O-CB 3.33Å; V16-C19 PolarHBondContact O-N 3.19Å; K17-C19 VanDerWaalsContact C-N 3.27Å; K17-C19 PolarHBondContact O-N 3.48Å; C19-S21 VanDerWaalsContact C-N 3.34Å; C19-Y23 PolarHBondContact SG-OH 2.85Å
20S87Confident96.7Very high127 Ų12754.1 Ų54.189%0.88831%0.31SS*.SBendtrans-77.5-21.8176.653.80000113.1
21S91.5Very high96.7Very high69 Ų6953.1 Ų53.148%0.48331%0.309SS..SBendtrans-93149-179.6-56.80000111.6C19C19-S21 VanDerWaalsContact C-N 3.34Å
22S96.2Very high96.6Very high60 Ų6046.2 Ų46.242%0.4229%0.29SS..EExtended strand (participates in β ladder)trans-93.6157.9164.961.30000110.2H13 M14H13-S22 WeakPolarHBondContact CE1-CB 3.4Å; H13-S22 PolarHBondContact CE1-OG 3.06Å; H13-S22 WeakPolarHBondContact NE2-CB 3.48Å; M14-S22 WeakPolarHBondContact O-CA 3.49Å
23Y98.3Very high96.6Very high24 Ų2446.2 Ų46.29%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-122.5152.5179.9-53.8-64.4000110.1H13 M14 V16 C19 C26 S33 A35H13-Y23 CarbonylContact C-O 3.48Å; H13-Y23 VanDerWaalsContact CA-O 3.32Å; H13-Y23 WeakPolarHBondContact CA-O 3.38Å; M14-Y23 PolarHBondContact N-O 3.39Å; M14-Y23 PolarHBondContact O-N 3.45Å; V16-Y23 HydrophobicContact CB-CE2 4.26Å; V16-Y23 HydrophobicContact CG2-CD2 4.12Å; V16-Y23 HydrophobicContact CG2-CE2 3.85Å; C19-Y23 PolarHBondContact SG-OH 2.85Å; Y23-C26 HydrophobicContact CD2-CB 3.5Å; Y23-C26 HydrophobicContact CE2-CB 4.16Å; Y23-C26 HydrophobicContact CG-CB 3.72Å; Y23-S33 PolarHBondContact OH-O 2.85Å; Y23-S33 PolarHBondContact OH-OG 2.95Å; Y23-A35 HydrophobicContact CD1-CB 3.94Å; Y23-A35 HydrophobicContact CE1-CB 4.37Å
24K98.2Very high96.6Very high123 Ų12346 Ų4654%0.53528%0.283SS..SBendtrans-72.7-64.4158.9179.7-173.9170.4-169.90108.5G12 S120G12-K24 WeakPolarHBondContact O-CA 3.29Å; K24-S120 VanDerWaalsContact O-CB 3.28Å; K24-S120 WeakPolarHBondContact O-CB 3.4Å; K24-S120 PolarHBondContact O-OG 3.27Å
25D98.6Very high96.6Very high8 Ų848.4 Ų48.44%0.04330%0.302CS..SBendtrans-120.4148.4174.3-61.5-23.1000108A35 W36 F118 H119 S120D25-A35 WeakPolarHBondContact O-CA 3.11Å; D25-W36 HydrophobicContact CB-CB 4.04Å; D25-W36 HydrophobicContact CB-CE3 4.16Å; D25-W36 PolarHBondContact O-N 3.23Å; D25-F118 WeakPolarHBondContact CA-O 3.42Å; D25-F118 WeakPolarHBondContact CB-O 3.32Å; D25-H119 VanDerWaalsContact CG-ND1 3.26Å; D25-H119 WeakPolarHBondContact OD1-CA 3.24Å; D25-H119 IonicContact OD1-ND1 3.26Å; D25-H119 PolarHBondContact OD1-ND1 2.85Å; D25-H119 IonicContact OD2-CE1 2.73Å; D25-H119 PolarHBondContact OD2-CE1 2.74Å; D25-H119 IonicContact OD2-CG 2.6Å; D25-H119 IonicContact OD2-ND1 3.3Å; D25-H119 PolarHBondContact OD2-ND1 2.61Å; D25-S120 PolarHBondContact OD1-N 3.03Å; D25-S120 PolarHBondContact OD1-OG 3.07Å
26C98.4Very high96.6Very high0 Ų043.9 Ų43.90%028%0.283CS..EExtended strand (participates in β ladder)trans-138.1155.5-176.671.60000114Y23 R34 I117 F118Y23-C26 HydrophobicContact CD2-CB 3.5Å; Y23-C26 HydrophobicContact CE2-CB 4.16Å; Y23-C26 HydrophobicContact CG-CB 3.72Å; C26-R34 CarbonylContact C-O 3.57Å; C26-R34 VanDerWaalsContact CA-O 3.25Å; C26-R34 WeakPolarHBondContact CA-O 3.47Å; C26-R34 WeakPolarHBondContact CB-O 3.2Å; C26-I117 CarbonylContact O-C 3.54Å; C26-I117 WeakPolarHBondContact O-CA 3.28Å; C26-F118 PolarHBondContact N-O 3.22Å; C26-F118 PolarHBondContact O-N 2.97Å
27K98.8Very high96.6Very high1 Ų146 Ų460%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-107.2140.2164.2-48.1-167.5-176.7-178.70108.1W29 S33 R34 W36 D53 V57 G116 I117K27-W29 HydrophobicContact CB-CE3 4.25Å; K27-W29 HydrophobicContact CB-CZ3 3.76Å; K27-S33 CarbonylContact O-C 3.54Å; K27-S33 WeakPolarHBondContact O-CA 3.44Å; K27-S33 WeakPolarHBondContact O-CB 3.32Å; K27-R34 HydrophobicContact CB-CG 4.18Å; K27-R34 HydrophobicContact CG-CG 4.44Å; K27-R34 PolarHBondContact N-O 2.79Å; K27-R34 PolarHBondContact O-N 2.93Å; K27-W36 HydrophobicContact CG-CB 3.77Å; K27-W36 HydrophobicContact CG-CG 4.11Å; K27-D53 WeakPolarHBondContact CE-O 3.38Å; K27-D53 PolarHBondContact NZ-O 2.97Å; K27-V57 HydrophobicContact CB-CG2 4.07Å; K27-V57 HydrophobicContact CD-CG2 4.33Å; K27-G116 CarbonylContact C-O 3.52Å; K27-G116 WeakPolarHBondContact CA-O 3.28Å; K27-I117 HydrophobicContact CB-CG2 4.09Å; K27-I117 HydrophobicContact CD-CG2 4.13Å; K27-I117 HydrophobicContact CG-CG2 3.74Å
28V98.6Very high96.6Very high0 Ų041.7 Ų41.70%027%0.274CS..EExtended strand (participates in β ladder)trans-136.5148.2179.7-59.90000110.5P4 I6 V16 Y104 G115 G116 F118P4-V28 HydrophobicContact CG-CB 4.49Å; I6-V28 HydrophobicContact CG1-CG1 4.47Å; V16-V28 HydrophobicContact CG1-CG1 4.39Å; V16-V28 HydrophobicContact CG2-CG1 3.84Å; V28-Y104 HydrophobicContact CG2-CD2 4.25Å; V28-Y104 HydrophobicContact CG2-CE1 4.19Å; V28-Y104 HydrophobicContact CG2-CE2 3.45Å; V28-Y104 VanDerWaalsContact CG2-CE2 3.45Å; V28-Y104 VanDerWaalsContact CG2-CZ 3.42Å; V28-Y104 WeakPolarHBondContact CG2-OH 3.36Å; V28-G115 CarbonylContact O-C 3.51Å; V28-G115 WeakPolarHBondContact O-CA 3.32Å; V28-G116 PolarHBondContact N-O 3.46Å; V28-G116 PolarHBondContact O-N 3.47Å; V28-F118 HydrophobicContact CG2-CD2 4.31Å; V28-F118 HydrophobicContact CG2-CE2 3.62Å
29W98.4Very high96.8Very high23 Ų2347.4 Ų47.49%0.08727%0.268CS..EExtended strand (participates in β ladder)trans-159.5169.2-17955.382.2000111P4 K27 G31 G32 R34 E56 V57 K60P4-W29 WeakPolarHBondContact CD-O 3.34Å; K27-W29 HydrophobicContact CB-CE3 4.25Å; K27-W29 HydrophobicContact CB-CZ3 3.76Å; W29-G31 PolarHBondContact O-N 3.29Å; W29-G32 PolarHBondContact N-O 2.82Å; W29-G32 PolarHBondContact O-N 2.98Å; W29-R34 HydrophobicContact CH2-CB 4.01Å; W29-R34 HydrophobicContact CH2-CG 3.61Å; W29-R34 HydrophobicContact CZ3-CG 3.88Å; W29-E56 HydrophobicContact CH2-CG 4.43Å; W29-E56 WeakPolarHBondContact CH2-OE1 3.14Å; W29-E56 HydrophobicContact CZ3-CG 4.4Å; W29-V57 HydrophobicContact CB-CG1 4.32Å; W29-V57 HydrophobicContact CE3-CG2 4.13Å; W29-K60 HydrophobicContact CB-CB 3.9Å; W29-K60 HydrophobicContact CB-CG 3.86Å; W29-K60 HydrophobicContact CD2-CG 4.07Å; W29-K60 HydrophobicContact CG-CB 4.09Å; W29-K60 HydrophobicContact CG-CD 4.22Å; W29-K60 HydrophobicContact CG-CG 3.56Å
30P97.7Very high97.1Very high21 Ų2150.5 Ų50.514%0.13628%0.278CS..THydrogen-bonded Turntrans-51.9109.4172.6-26.533.3000112.7M1 S3 V62 K113M1-P30 WeakPolarHBondContact O-CB 3.37Å; S3-P30 WeakPolarHBondContact OG-CG 3.5Å; P30-V62 VanDerWaalsContact CD-CG1 3.49Å; P30-V62 HydrophobicContact CG-CG1 4.11Å; P30-K113 HydrophobicContact CG-CB 4.29Å
31G95.8Very high97.6Very high41 Ų4146 Ų4642%0.42325%0.246SC..THydrogen-bonded Turntrans95.72.7179.600000116.7S2 W29S2-G31 PolarHBondContact O-N 2.58Å; W29-G31 PolarHBondContact O-N 3.29Å
32G96.4Very high97.7Very high21 Ų2145.5 Ų45.522%0.21625%0.251CS..EExtended strand (participates in β ladder)trans176.2-174.5173.100000116.9W29W29-G32 PolarHBondContact N-O 2.82Å; W29-G32 PolarHBondContact O-N 2.98Å
33S98.2Very high97.8Very high24 Ų2443.1 Ų43.117%0.16823%0.234CC..EExtended strand (participates in β ladder)trans-150.8158.8178.659.50000110.8Y23 K27Y23-S33 PolarHBondContact OH-O 2.85Å; Y23-S33 PolarHBondContact OH-OG 2.95Å; K27-S33 CarbonylContact O-C 3.54Å; K27-S33 WeakPolarHBondContact O-CA 3.44Å; K27-S33 WeakPolarHBondContact O-CB 3.32Å
34R97.9Very high97.7Very high58 Ų5846.4 Ų46.422%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-148.5169.4168.274.2168.5-173118.5-20112.1C26 K27 W29 E40 E56C26-R34 CarbonylContact C-O 3.57Å; C26-R34 VanDerWaalsContact CA-O 3.25Å; C26-R34 WeakPolarHBondContact CA-O 3.47Å; C26-R34 WeakPolarHBondContact CB-O 3.2Å; K27-R34 HydrophobicContact CB-CG 4.18Å; K27-R34 HydrophobicContact CG-CG 4.44Å; K27-R34 PolarHBondContact N-O 2.79Å; K27-R34 PolarHBondContact O-N 2.93Å; W29-R34 HydrophobicContact CH2-CB 4.01Å; W29-R34 HydrophobicContact CH2-CG 3.61Å; W29-R34 HydrophobicContact CZ3-CG 3.88Å; R34-E40 IonicContact CZ-OE1 2.87Å; R34-E40 IonicContact CZ-OE2 3.6Å; R34-E40 VanDerWaalsContact CZ-OE2 3.26Å; R34-E40 IonicContact NH1-OE1 3.05Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.29Å; R34-E40 PolarHBondContact NH1-OE2 3.3Å; R34-E40 IonicContact NH2-OE2 2.86Å; R34-E40 PolarHBondContact NH2-OE2 2.95Å; R34-E56 WeakPolarHBondContact CD-OE1 3.47Å; R34-E56 IonicContact CZ-OE2 2.8Å; R34-E56 VanDerWaalsContact NE-CD 3.3Å; R34-E56 IonicContact NE-OE1 3.67Å; R34-E56 PolarHBondContact NE-OE1 3.28Å; R34-E56 IonicContact NE-OE2 2.84Å; R34-E56 PolarHBondContact NE-OE2 2.92Å; R34-E56 IonicContact NH2-OE2 3.95Å; R34-E56 PolarHBondContact NH2-OE2 3.41Å
35A98.4Very high97.5Very high49 Ų4943.3 Ų43.341%0.40524%0.24SC..EExtended strand (participates in β ladder)trans-63.1138.2169.700000110.8Y23 D25Y23-A35 HydrophobicContact CD1-CB 3.94Å; Y23-A35 HydrophobicContact CE1-CB 4.37Å; D25-A35 WeakPolarHBondContact O-CA 3.11Å
36W98.5Very high97.3Very high9 Ų949.1 Ų49.13%0.03427%0.267CS..  trans-95.3105.1167.3-177.517.1000108.8D25 K27 W38 T43 V49 D53 L75 I117 H119D25-W36 HydrophobicContact CB-CB 4.04Å; D25-W36 HydrophobicContact CB-CE3 4.16Å; D25-W36 PolarHBondContact O-N 3.23Å; K27-W36 HydrophobicContact CG-CB 3.77Å; K27-W36 HydrophobicContact CG-CG 4.11Å; W36-W38 AromaticContact CD1-CD1 3.94Å; W36-W38 AromaticContact CD2-CD1 3.84Å; W36-W38 AromaticContact CD2-NE1 3.65Å; W36-W38 AromaticContact CE2-CD1 3.53Å; W36-W38 AromaticContact CE2-NE1 3.51Å; W36-W38 AromaticContact CE3-NE1 3.82Å; W36-W38 AromaticContact CH2-NE1 3.78Å; W36-W38 AromaticContact CZ2-CD1 3.91Å; W36-W38 AromaticContact CZ2-NE1 3.58Å; W36-W38 AromaticContact CZ3-NE1 3.89Å; W36-W38 AromaticContact NE1-CD1 3.61Å; W36-T43 HydrophobicContact CZ2-CG2 4.12Å; W36-V49 HydrophobicContact CH2-CG2 3.91Å; W36-V49 HydrophobicContact CZ2-CG2 4.25Å; W36-D53 HydrophobicContact CZ2-CB 4.28Å; W36-D53 VanDerWaalsContact NE1-CG 3.28Å; W36-D53 PolarHBondContact NE1-OD1 3.02Å; W36-L75 HydrophobicContact CH2-CD2 3.55Å; W36-L75 HydrophobicContact CZ2-CD2 4.5Å; W36-L75 HydrophobicContact CZ3-CD2 4.14Å; W36-I117 HydrophobicContact CD2-CB 4.3Å; W36-I117 HydrophobicContact CD2-CD1 4.38Å; W36-I117 HydrophobicContact CE3-CB 3.98Å; W36-I117 HydrophobicContact CE3-CD1 4.28Å; W36-I117 HydrophobicContact CE3-CG1 4.44Å; W36-I117 HydrophobicContact CH2-CD1 3.4Å; W36-I117 VanDerWaalsContact CH2-CD1 3.4Å; W36-I117 HydrophobicContact CH2-CG1 4.16Å; W36-I117 HydrophobicContact CZ2-CD1 3.53Å; W36-I117 HydrophobicContact CZ3-CB 4.11Å; W36-I117 HydrophobicContact CZ3-CD1 3.81Å; W36-I117 HydrophobicContact CZ3-CG1 4.08Å; W36-H119 HydrophobicContact CZ3-CB 4.03Å
37D98.1Very high97.1Very high47 Ų4753 Ų5325%0.25129%0.293SS..  trans-103.3111.9175.4-169.5-17.9000109.6R39 E40D37-R39 PolarHBondContact O-N 3.38Å; D37-R39 VanDerWaalsContact O-N 3.15Å; D37-R39 VanDerWaalsContact OD1-CB 3.32Å; D37-R39 WeakPolarHBondContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CG 3.47Å; D37-R39 IonicContact OD1-CZ 2.69Å; D37-R39 PolarHBondContact OD1-N 2.89Å; D37-R39 IonicContact OD1-NE 3.47Å; D37-R39 PolarHBondContact OD1-NE 3.42Å; D37-R39 IonicContact OD1-NH2 3.19Å; D37-R39 IonicContact OD2-CZ 3.94Å; D37-R39 VanDerWaalsContact OD2-CZ 3.29Å; D37-R39 IonicContact OD2-NE 3.22Å; D37-R39 PolarHBondContact OD2-NE 3.26Å; D37-R39 IonicContact OD2-NH2 2.77Å; D37-R39 PolarHBondContact OD2-NH2 2.91Å; D37-E40 HydrophobicContact CB-CG 4.2Å; D37-E40 WeakPolarHBondContact O-CB 3.4Å; D37-E40 PolarHBondContact O-N 3.46Å; D37-E40 VanDerWaalsContact O-N 3.12Å
38W97.8Very high97.1Very high40 Ų4053 Ų5315%0.15229%0.293CS..G310 helixtrans-62.2-21.8-177.7-64.96.1000113.1W36 E40 T41 G42 T43 H45 L75 H119W36-W38 AromaticContact CD1-CD1 3.94Å; W36-W38 AromaticContact CD2-CD1 3.84Å; W36-W38 AromaticContact CD2-NE1 3.65Å; W36-W38 AromaticContact CE2-CD1 3.53Å; W36-W38 AromaticContact CE2-NE1 3.51Å; W36-W38 AromaticContact CE3-NE1 3.82Å; W36-W38 AromaticContact CH2-NE1 3.78Å; W36-W38 AromaticContact CZ2-CD1 3.91Å; W36-W38 AromaticContact CZ2-NE1 3.58Å; W36-W38 AromaticContact CZ3-NE1 3.89Å; W36-W38 AromaticContact NE1-CD1 3.61Å; W38-E40 PolarHBondContact O-N 2.99Å; W38-T41 PolarHBondContact O-N 2.91Å; W38-T41 PolarHBondContact O-OG1 2.91Å; W38-G42 PolarHBondContact O-N 3.43Å; W38-T43 HydrophobicContact CB-CG2 4.35Å; W38-T43 WeakPolarHBondContact CB-O 3.49Å; W38-T43 HydrophobicContact CD2-CG2 3.82Å; W38-T43 HydrophobicContact CE3-CG2 4.17Å; W38-T43 HydrophobicContact CG-CG2 3.9Å; W38-T43 PolarHBondContact O-N 2.8Å; W38-T43 VanDerWaalsContact O-N 3.11Å; W38-H45 AromaticContact CH2-CE1 3.78Å; W38-H45 AromaticContact CH2-NE2 3.83Å; W38-H45 AromaticContact CZ3-CE1 3.73Å; W38-H45 AromaticContact CZ3-ND1 3.88Å; W38-L75 HydrophobicContact CH2-CD1 3.89Å; W38-L75 HydrophobicContact CH2-CD2 4.28Å; W38-L75 HydrophobicContact CZ2-CD1 4.07Å; W38-L75 HydrophobicContact CZ2-CD2 3.76Å; W38-L75 HydrophobicContact CZ2-CG 4.44Å; W38-L75 HydrophobicContact CZ3-CD1 4.44Å; W38-H119 AromaticContact CH2-CE1 3.67Å; W38-H119 AromaticContact CH2-ND1 3.95Å; W38-H119 AromaticContact CH2-NE2 3.92Å; W38-H119 HydrophobicContact CZ2-CB 4.28Å; W38-H119 AromaticContact CZ2-CE1 3.47Å; W38-H119 VanDerWaalsContact CZ2-CE1 3.47Å; W38-H119 WeakPolarHBondContact CZ2-CE1 3.44Å; W38-H119 AromaticContact CZ2-CG 3.63Å; W38-H119 AromaticContact CZ2-ND1 3.28Å; W38-H119 VanDerWaalsContact CZ2-ND1 3.28Å; W38-H119 WeakPolarHBondContact CZ2-ND1 3.43Å; W38-H119 AromaticContact CZ2-NE2 4Å
39R97.6Very high97Very high210 Ų21053 Ų5379%0.79229%0.293SS*.G310 helixtrans-67.1-20.4177.7-63.1171.6-72.8-178.2-0.8112.7D37 T41D37-R39 PolarHBondContact O-N 3.38Å; D37-R39 VanDerWaalsContact O-N 3.15Å; D37-R39 VanDerWaalsContact OD1-CB 3.32Å; D37-R39 WeakPolarHBondContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CG 3.47Å; D37-R39 IonicContact OD1-CZ 2.69Å; D37-R39 PolarHBondContact OD1-N 2.89Å; D37-R39 IonicContact OD1-NE 3.47Å; D37-R39 PolarHBondContact OD1-NE 3.42Å; D37-R39 IonicContact OD1-NH2 3.19Å; D37-R39 IonicContact OD2-CZ 3.94Å; D37-R39 VanDerWaalsContact OD2-CZ 3.29Å; D37-R39 IonicContact OD2-NE 3.22Å; D37-R39 PolarHBondContact OD2-NE 3.26Å; D37-R39 IonicContact OD2-NH2 2.77Å; D37-R39 PolarHBondContact OD2-NH2 2.91Å; R39-T41 VanDerWaalsContact C-N 3.26Å; R39-T41 PolarHBondContact O-N 2.9Å
40E97.9Very high97.1Very high105 Ų10554.1 Ų54.149%0.49130%0.299SS..G310 helixtrans-68.6-27.5176.9-67.7177.7-168.100112.6R34 D37 W38R34-E40 IonicContact CZ-OE1 2.87Å; R34-E40 IonicContact CZ-OE2 3.6Å; R34-E40 VanDerWaalsContact CZ-OE2 3.26Å; R34-E40 IonicContact NH1-OE1 3.05Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.29Å; R34-E40 PolarHBondContact NH1-OE2 3.3Å; R34-E40 IonicContact NH2-OE2 2.86Å; R34-E40 PolarHBondContact NH2-OE2 2.95Å; D37-E40 HydrophobicContact CB-CG 4.2Å; D37-E40 WeakPolarHBondContact O-CB 3.4Å; D37-E40 PolarHBondContact O-N 3.46Å; D37-E40 VanDerWaalsContact O-N 3.12Å; W38-E40 PolarHBondContact O-N 2.99Å
41T97.4Very high97.1Very high34 Ų3454.6 Ų54.621%0.20930%0.302CS..THydrogen-bonded Turntrans-127.2-7-167.1520000113.3W38 R39 T43 A52 D53W38-T41 PolarHBondContact O-N 2.91Å; W38-T41 PolarHBondContact O-OG1 2.91Å; R39-T41 VanDerWaalsContact C-N 3.26Å; R39-T41 PolarHBondContact O-N 2.9Å; T41-T43 VanDerWaalsContact C-N 3.31Å; T41-T43 PolarHBondContact OG1-OG1 3.27Å; T41-T43 VanDerWaalsContact OG1-OG1 3.13Å; T41-A52 HydrophobicContact CG2-CB 3.68Å; T41-D53 WeakPolarHBondContact CB-OD1 3.32Å; T41-D53 WeakPolarHBondContact CG2-OD1 3.37Å; T41-D53 PolarHBondContact OG1-OD1 3.31Å
42G95.6Very high97.2Very high58 Ų5855.4 Ų55.460%0.59831%0.305SS*.THydrogen-bonded Turntrans73.724.6-174.800000112.9W38W38-G42 PolarHBondContact O-N 3.43Å
43T97.3Very high97.3Very high10 Ų1054.4 Ų54.46%0.06129%0.294CS..  trans-68.7138.3175.6-67.50000110.6W36 W38 T41 Q50 D53 L75W36-T43 HydrophobicContact CZ2-CG2 4.12Å; W38-T43 HydrophobicContact CB-CG2 4.35Å; W38-T43 WeakPolarHBondContact CB-O 3.49Å; W38-T43 HydrophobicContact CD2-CG2 3.82Å; W38-T43 HydrophobicContact CE3-CG2 4.17Å; W38-T43 HydrophobicContact CG-CG2 3.9Å; W38-T43 PolarHBondContact O-N 2.8Å; W38-T43 VanDerWaalsContact O-N 3.11Å; T41-T43 VanDerWaalsContact C-N 3.31Å; T41-T43 PolarHBondContact OG1-OG1 3.27Å; T41-T43 VanDerWaalsContact OG1-OG1 3.13Å; T43-Q50 WeakPolarHBondContact OG1-CG 3.2Å; T43-D53 PolarHBondContact OG1-OD1 3.11Å; T43-D53 PolarHBondContact OG1-OD2 2.8Å; T43-L75 HydrophobicContact CG2-CD1 4.14Å
44D96.3Very high97.3Very high92 Ų9253.3 Ų53.349%0.49229%0.286SS..  trans-145.4171.2172.3-159.2-25.7000106.4H46 G48 L75D44-H46 PolarHBondContact O-N 3.3Å; D44-H46 VanDerWaalsContact O-N 3.15Å; D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 3.46Å; D44-L75 WeakPolarHBondContact O-CD1 3.45Å
45H94.3Very high97.3Very high58 Ų5853.3 Ų53.327%0.26929%0.289SS..THydrogen-bonded Turntrans-53.4-37.2176.2-68.488.6000112W38 Q76 C122W38-H45 AromaticContact CH2-CE1 3.78Å; W38-H45 AromaticContact CH2-NE2 3.83Å; W38-H45 AromaticContact CZ3-CE1 3.73Å; W38-H45 AromaticContact CZ3-ND1 3.88Å; H45-Q76 WeakPolarHBondContact O-CB 3.39Å; H45-Q76 WeakPolarHBondContact O-CG 3.43Å; H45-Q76 PolarHBondContact O-N 3.32Å; H45-C122 PolarHBondContact CD2-O 3.26Å; H45-C122 PolarHBondContact NE2-O 3.07Å
46H93.4Very high97.3Very high130 Ų13053.5 Ų53.560%0.60228%0.282SS*.THydrogen-bonded Turntrans-131.9124.2169.4-67.480.9000108.9D44 Q76D44-H46 PolarHBondContact O-N 3.3Å; D44-H46 VanDerWaalsContact O-N 3.15Å; H46-Q76 VanDerWaalsContact CD2-CG 3.48Å; H46-Q76 WeakPolarHBondContact CD2-CG 3.47Å; H46-Q76 VanDerWaalsContact NE2-CG 3.26Å; H46-Q76 WeakPolarHBondContact NE2-CG 3.5Å
47P94.4Very high97.3Very high83 Ų8353.1 Ų53.154%0.53928%0.28SS..THydrogen-bonded Turncis-78.7-11.516.230.3-35.8000115.3P78P47-P78 WeakPolarHBondContact O-CG 3.33Å
48G98.1Very high97.3Very high0 Ų051.8 Ų51.80%027%0.273CS..  trans109.6-162.9179.700000113.6D44 Q50 Q76D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 3.46Å; G48-Q50 PolarHBondContact O-N 3.04Å; G48-Q50 PolarHBondContact O-NE2 2.91Å; G48-Q76 CarbonylContact C-O 3.5Å; G48-Q76 WeakPolarHBondContact CA-O 3.38Å
49V98.6Very high97.2Very high0 Ų056.4 Ų56.40%030%0.296CS..  trans-56.4127.1179.3-1790000111.1W36 D53 L54 I67 L75 Q76 V77 P78 T81 I117W36-V49 HydrophobicContact CH2-CG2 3.91Å; W36-V49 HydrophobicContact CZ2-CG2 4.25Å; V49-D53 HydrophobicContact CG1-CB 4.09Å; V49-L54 HydrophobicContact CG1-CD2 4.02Å; V49-L54 HydrophobicContact CG1-CG 4.28Å; V49-I67 HydrophobicContact CG1-CD1 4.46Å; V49-I67 HydrophobicContact CG2-CG2 4.28Å; V49-L75 HydrophobicContact CG2-CD1 4.4Å; V49-L75 HydrophobicContact CG2-CD2 3.8Å; V49-L75 HydrophobicContact CG2-CG 4Å; V49-Q76 PolarHBondContact N-O 2.89Å; V49-V77 HydrophobicContact CG2-CG2 4.1Å; V49-P78 WeakPolarHBondContact O-CD 3.41Å; V49-T81 HydrophobicContact CB-CG2 4.39Å; V49-T81 HydrophobicContact CG1-CG2 4.01Å; V49-T81 PolarHBondContact O-OG1 2.87Å; V49-I117 HydrophobicContact CG1-CD1 3.56Å; V49-I117 HydrophobicContact CG2-CD1 4.25Å
50Q98.6Very high97.2Very high47 Ų4751.4 Ų51.422%0.2228%0.28CS..  trans-91.1150.3178.7-62.5-53.3-62.300111.5T43 G48 A52 D53T43-Q50 WeakPolarHBondContact OG1-CG 3.2Å; G48-Q50 PolarHBondContact O-N 3.04Å; G48-Q50 PolarHBondContact O-NE2 2.91Å; Q50-A52 PolarHBondContact O-N 2.9Å; Q50-A52 VanDerWaalsContact O-N 3.13Å; Q50-D53 PolarHBondContact N-OD2 2.66Å; Q50-D53 VanDerWaalsContact O-CB 3.27Å; Q50-D53 WeakPolarHBondContact O-CB 2.93Å; Q50-D53 PolarHBondContact O-N 3.09Å
51P98.3Very high97.1Very high30 Ų3048.7 Ų48.720%0.19528%0.28CS..Hα-helixtrans-51.5-35.6170-29.337.3000113.4D53 L54 E55 T81 F84P51-D53 PolarHBondContact O-N 3.16Å; P51-L54 PolarHBondContact O-N 2.96Å; P51-E55 PolarHBondContact O-N 2.91Å; P51-E55 VanDerWaalsContact O-N 3.12Å; P51-T81 WeakPolarHBondContact CD-OG1 3.07Å; P51-F84 HydrophobicContact CB-CB 4.36Å; P51-F84 HydrophobicContact CB-CD1 3.75Å; P51-F84 HydrophobicContact CB-CD2 3.77Å; P51-F84 HydrophobicContact CB-CE1 3.73Å; P51-F84 HydrophobicContact CB-CE2 3.74Å; P51-F84 HydrophobicContact CB-CG 3.73Å; P51-F84 HydrophobicContact CB-CZ 3.68Å; P51-F84 HydrophobicContact CG-CB 4.39Å; P51-F84 HydrophobicContact CG-CD2 4.39Å; P51-F84 HydrophobicContact CG-CG 4.26Å
52A98.3Very high97.1Very high59 Ų5947.4 Ų47.449%0.48827%0.273SS..Hα-helixtrans-63.8-25176.900000113.4T41 Q50 L54T41-A52 HydrophobicContact CG2-CB 3.68Å; Q50-A52 PolarHBondContact O-N 2.9Å; Q50-A52 VanDerWaalsContact O-N 3.13Å; A52-L54 PolarHBondContact O-N 2.88Å
53D98.6Very high97.2Very high0 Ų047.4 Ų47.40%027%0.267CS..Hα-helixtrans-65-33173.1-67.7-48.4000111.6K27 W36 T41 T43 V49 Q50 P51 I117K27-D53 WeakPolarHBondContact CE-O 3.38Å; K27-D53 PolarHBondContact NZ-O 2.97Å; W36-D53 HydrophobicContact CZ2-CB 4.28Å; W36-D53 VanDerWaalsContact NE1-CG 3.28Å; W36-D53 PolarHBondContact NE1-OD1 3.02Å; T41-D53 WeakPolarHBondContact CB-OD1 3.32Å; T41-D53 WeakPolarHBondContact CG2-OD1 3.37Å; T41-D53 PolarHBondContact OG1-OD1 3.31Å; T43-D53 PolarHBondContact OG1-OD1 3.11Å; T43-D53 PolarHBondContact OG1-OD2 2.8Å; V49-D53 HydrophobicContact CG1-CB 4.09Å; Q50-D53 PolarHBondContact N-OD2 2.66Å; Q50-D53 VanDerWaalsContact O-CB 3.27Å; Q50-D53 WeakPolarHBondContact O-CB 2.93Å; Q50-D53 PolarHBondContact O-N 3.09Å; P51-D53 PolarHBondContact O-N 3.16Å; D53-I117 HydrophobicContact CB-CD1 4.2Å
54L98.4Very high97.3Very high0 Ų047.5 Ų47.50%027%0.267CS..Hα-helixtrans-94.5-26.6-168.9-51.1-175.2000113V49 P51 A52 E56 V57 L58 L65 I67 T81 V85 I117V49-L54 HydrophobicContact CG1-CD2 4.02Å; V49-L54 HydrophobicContact CG1-CG 4.28Å; P51-L54 PolarHBondContact O-N 2.96Å; A52-L54 PolarHBondContact O-N 2.88Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.48Å; L54-V57 WeakPolarHBondContact O-CB 3.19Å; L54-V57 PolarHBondContact O-N 2.86Å; L54-L58 HydrophobicContact CB-CD1 3.9Å; L54-L58 HydrophobicContact CB-CG 4.39Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L65 HydrophobicContact CB-CD2 4.28Å; L54-L65 HydrophobicContact CD1-CD2 3.84Å; L54-L65 HydrophobicContact CD2-CD2 4.01Å; L54-L65 HydrophobicContact CG-CD2 4.26Å; L54-I67 HydrophobicContact CD1-CD1 4.25Å; L54-I67 HydrophobicContact CD2-CD1 4.28Å; L54-T81 HydrophobicContact CD1-CG2 3.42Å; L54-T81 VanDerWaalsContact CD1-CG2 3.42Å; L54-T81 HydrophobicContact CG-CG2 4.34Å; L54-V85 HydrophobicContact CD1-CG2 3.42Å; L54-V85 VanDerWaalsContact CD1-CG2 3.42Å; L54-I117 HydrophobicContact CD2-CD1 3.42Å; L54-I117 VanDerWaalsContact CD2-CD1 3.42Å; L54-I117 HydrophobicContact CD2-CG1 3.93Å; L54-I117 HydrophobicContact CD2-CG2 4.18Å
55E97.7Very high97.4Very high59 Ų5943.1 Ų43.128%0.27624%0.244SC..Hα-helixtrans-51.8-46.2-171.7-176.461.9-147.900112.3P51 V57 L58 Q59 F84 R88P51-E55 PolarHBondContact O-N 2.91Å; P51-E55 VanDerWaalsContact O-N 3.12Å; E55-V57 PolarHBondContact O-N 3.41Å; E55-L58 PolarHBondContact O-N 3.49Å; E55-Q59 WeakPolarHBondContact O-CB 3.4Å; E55-Q59 VanDerWaalsContact O-CG 3.24Å; E55-Q59 WeakPolarHBondContact O-CG 3.41Å; E55-Q59 PolarHBondContact O-N 2.89Å; E55-Q59 PolarHBondContact OE1-NE2 2.87Å; E55-F84 WeakPolarHBondContact OE2-CZ 3.26Å; E55-R88 IonicContact OE2-CZ 3.7Å; E55-R88 IonicContact OE2-NE 3.9Å; E55-R88 IonicContact OE2-NH2 2.91Å; E55-R88 PolarHBondContact OE2-NH2 2.59Å
56E97.5Very high97.6Very high53 Ų5340.3 Ų40.325%0.24823%0.231CC..Hα-helixtrans-63.2-40.3177.5178.5-175.9-174.100113.2W29 R34 L54 L58 K60W29-E56 HydrophobicContact CH2-CG 4.43Å; W29-E56 WeakPolarHBondContact CH2-OE1 3.14Å; W29-E56 HydrophobicContact CZ3-CG 4.4Å; R34-E56 WeakPolarHBondContact CD-OE1 3.47Å; R34-E56 IonicContact CZ-OE2 2.8Å; R34-E56 VanDerWaalsContact NE-CD 3.3Å; R34-E56 IonicContact NE-OE1 3.67Å; R34-E56 PolarHBondContact NE-OE1 3.28Å; R34-E56 IonicContact NE-OE2 2.84Å; R34-E56 PolarHBondContact NE-OE2 2.92Å; R34-E56 IonicContact NH2-OE2 3.95Å; R34-E56 PolarHBondContact NH2-OE2 3.41Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-K60 WeakPolarHBondContact O-CG 3.45Å
57V98.4Very high97.9Very high0 Ų034.1 Ų34.10%020%0.202CC..Hα-helixtrans-67.1-42.4178.8-177.40000109.5K27 W29 L54 E55 K60 V62 L65 I117K27-V57 HydrophobicContact CB-CG2 4.07Å; K27-V57 HydrophobicContact CD-CG2 4.33Å; W29-V57 HydrophobicContact CB-CG1 4.32Å; W29-V57 HydrophobicContact CE3-CG2 4.13Å; L54-V57 WeakPolarHBondContact O-CB 3.19Å; L54-V57 PolarHBondContact O-N 2.86Å; E55-V57 PolarHBondContact O-N 3.41Å; V57-K60 WeakPolarHBondContact O-CB 3.35Å; V57-K60 PolarHBondContact O-N 3.49Å; V57-K60 VanDerWaalsContact O-N 3.16Å; V57-V62 HydrophobicContact CG1-CG1 4.36Å; V57-V62 HydrophobicContact CG1-CG2 4.49Å; V57-L65 HydrophobicContact CB-CD1 4.11Å; V57-L65 HydrophobicContact CG1-CD1 3.49Å; V57-L65 VanDerWaalsContact CG1-CD1 3.49Å; V57-I117 HydrophobicContact CG2-CG2 4.1Å
58L98Very high98.1Very high19 Ų1930.2 Ų30.210%0.09918%0.177CC..Hα-helixtrans-64.7-39.5178.9-66.7167.8000112L54 E55 E56 K60 G61 V62 L65 F84 V85 V90L54-L58 HydrophobicContact CB-CD1 3.9Å; L54-L58 HydrophobicContact CB-CG 4.39Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.47Å; E55-L58 PolarHBondContact O-N 3.49Å; E56-L58 VanDerWaalsContact C-N 3.35Å; L58-K60 PolarHBondContact O-N 2.86Å; L58-K60 VanDerWaalsContact O-N 3.07Å; L58-G61 PolarHBondContact O-N 2.9Å; L58-V62 HydrophobicContact CD2-CG2 4.21Å; L58-L65 HydrophobicContact CD2-CD2 4.26Å; L58-F84 HydrophobicContact CD1-CD1 4.15Å; L58-F84 HydrophobicContact CD1-CE1 3.74Å; L58-V85 HydrophobicContact CD1-CG2 4.39Å; L58-V85 HydrophobicContact CD2-CG1 4.34Å; L58-V90 HydrophobicContact CD2-CB 4.15Å; L58-V90 HydrophobicContact CD2-CG1 4Å; L58-V90 HydrophobicContact CD2-CG2 3.87Å
59Q97.3Very high98.1Very high137 Ų13732.5 Ų32.564%0.6419%0.185SC*.THydrogen-bonded Turntrans-61.6-15.6175.5-75.4173.78.800113.6E55 G61E55-Q59 WeakPolarHBondContact O-CB 3.4Å; E55-Q59 VanDerWaalsContact O-CG 3.24Å; E55-Q59 WeakPolarHBondContact O-CG 3.41Å; E55-Q59 PolarHBondContact O-N 2.89Å; E55-Q59 PolarHBondContact OE1-NE2 2.87Å; Q59-G61 PolarHBondContact O-N 3.43Å
60K97.4Very high98.1Very high105 Ų10532.5 Ų32.546%0.45719%0.185SC..THydrogen-bonded Turntrans-81.70.3174.1-54.8-69-179.7-172.70113.3W29 E56 V57 L58W29-K60 HydrophobicContact CB-CB 3.9Å; W29-K60 HydrophobicContact CB-CG 3.86Å; W29-K60 HydrophobicContact CD2-CG 4.07Å; W29-K60 HydrophobicContact CG-CB 4.09Å; W29-K60 HydrophobicContact CG-CD 4.22Å; W29-K60 HydrophobicContact CG-CG 3.56Å; E56-K60 WeakPolarHBondContact O-CG 3.45Å; V57-K60 WeakPolarHBondContact O-CB 3.35Å; V57-K60 PolarHBondContact O-N 3.49Å; V57-K60 VanDerWaalsContact O-N 3.16Å; L58-K60 PolarHBondContact O-N 2.86Å; L58-K60 VanDerWaalsContact O-N 3.07Å
61G95.6Very high98.1Very high48 Ų4831.6 Ų31.650%0.49518%0.182SC..  trans73.445.5174.400000113.3L58 Q59L58-G61 PolarHBondContact O-N 2.9Å; Q59-G61 PolarHBondContact O-N 3.43Å
62V97.9Very high98Very high8 Ų835.5 Ų35.55%0.04820%0.201CC..  trans-77.9143.4175.4-600000110.8P30 V57 L58 V90 K113P30-V62 VanDerWaalsContact CD-CG1 3.49Å; P30-V62 HydrophobicContact CG-CG1 4.11Å; V57-V62 HydrophobicContact CG1-CG1 4.36Å; V57-V62 HydrophobicContact CG1-CG2 4.49Å; L58-V62 HydrophobicContact CD2-CG2 4.21Å; V62-V90 HydrophobicContact CG2-CG1 4.25Å; V62-K113 CarbonylContact C-O 3.55Å; V62-K113 WeakPolarHBondContact CA-O 3.44Å; V62-K113 WeakPolarHBondContact CB-O 3.4Å
63A97.4Very high98Very high58 Ų5837 Ų3748%0.47920%0.198SC..SBendtrans-88-33.4173.500000111.7E91 K113A63-E91 PolarHBondContact O-N 2.86Å; A63-K113 PolarHBondContact N-O 3.38Å
64T98.7Very high98Very high11 Ų1138.8 Ų38.87%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-128.3135.5178.8-49.70000109.2E91 I93 L107 V114 G115T64-E91 CarbonylContact C-O 3.53Å; T64-E91 WeakPolarHBondContact CA-O 3.44Å; T64-E91 HydrophobicContact CG2-CB 4.17Å; T64-E91 HydrophobicContact CG2-CG 4.17Å; T64-E91 PolarHBondContact OG1-OE2 3.4Å; T64-E91 VanDerWaalsContact OG1-OE2 3.06Å; T64-I93 HydrophobicContact CG2-CD1 3.73Å; T64-I93 HydrophobicContact CG2-CG1 4.17Å; T64-L107 HydrophobicContact CG2-CD1 3.98Å; T64-V114 WeakPolarHBondContact O-CA 3.4Å; T64-G115 PolarHBondContact O-N 2.86Å
65L98.8Very high98Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-116.2125.8175.5-176.474.3000109.2L54 V57 L58 V85 V90 E91 L92 I93 G115L54-L65 HydrophobicContact CB-CD2 4.28Å; L54-L65 HydrophobicContact CD1-CD2 3.84Å; L54-L65 HydrophobicContact CD2-CD2 4.01Å; L54-L65 HydrophobicContact CG-CD2 4.26Å; V57-L65 HydrophobicContact CB-CD1 4.11Å; V57-L65 HydrophobicContact CG1-CD1 3.49Å; V57-L65 VanDerWaalsContact CG1-CD1 3.49Å; L58-L65 HydrophobicContact CD2-CD2 4.26Å; L65-V85 HydrophobicContact CB-CG1 4.41Å; L65-V85 HydrophobicContact CD2-CG1 4.05Å; L65-V85 HydrophobicContact CD2-CG2 3.74Å; L65-V90 HydrophobicContact CB-CG1 3.88Å; L65-E91 PolarHBondContact N-O 3.44Å; L65-L92 HydrophobicContact CB-CD1 4.23Å; L65-L92 HydrophobicContact CD2-CD1 3.92Å; L65-L92 HydrophobicContact CG-CD1 4.21Å; L65-L92 WeakPolarHBondContact O-CA 3.48Å; L65-I93 PolarHBondContact O-N 3.4Å; L65-G115 WeakPolarHBondContact CA-O 3.27Å
66V98.9Very high98Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-107.6130177.6-174.90000110.1I93 A100 Y104 L107 V114 G115 G116 I117 F118V66-I93 CarbonylContact C-O 3.56Å; V66-I93 WeakPolarHBondContact CA-O 3.38Å; V66-I93 HydrophobicContact CG1-CG2 4.44Å; V66-I93 HydrophobicContact CG2-CB 4.3Å; V66-I93 HydrophobicContact CG2-CD1 4.42Å; V66-A100 HydrophobicContact CG1-CB 3.86Å; V66-Y104 HydrophobicContact CG2-CD2 4.41Å; V66-L107 HydrophobicContact CG2-CD1 4.27Å; V66-V114 HydrophobicContact CG2-CG2 3.84Å; V66-G115 PolarHBondContact N-O 2.88Å; V66-G116 CarbonylContact O-C 3.39Å; V66-G116 WeakPolarHBondContact O-CA 3.47Å; V66-I117 PolarHBondContact O-N 2.77Å; V66-F118 HydrophobicContact CB-CZ 4.23Å; V66-F118 HydrophobicContact CG1-CE1 4.09Å; V66-F118 HydrophobicContact CG1-CZ 4.17Å
67I98.9Very high98Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-112.4114.2173.7-58.9-178.6000109V49 L54 R69 V77 L92 I93 V94 L95 I117V49-I67 HydrophobicContact CG1-CD1 4.46Å; V49-I67 HydrophobicContact CG2-CG2 4.28Å; L54-I67 HydrophobicContact CD1-CD1 4.25Å; L54-I67 HydrophobicContact CD2-CD1 4.28Å; I67-R69 HydrophobicContact CG2-CB 4.47Å; I67-V77 HydrophobicContact CD1-CG1 4.05Å; I67-V77 HydrophobicContact CG2-CG2 4Å; I67-L92 HydrophobicContact CD1-CD1 3.77Å; I67-L92 HydrophobicContact CG1-CD1 3.95Å; I67-I93 PolarHBondContact N-O 2.61Å; I67-V94 HydrophobicContact CB-CG1 4.45Å; I67-V94 HydrophobicContact CB-CG2 4.33Å; I67-V94 HydrophobicContact CD1-CG2 4.41Å; I67-L95 PolarHBondContact O-N 2.86Å; I67-L95 VanDerWaalsContact O-O 3.13Å; I67-I117 WeakPolarHBondContact CA-O 3.35Å; I67-I117 HydrophobicContact CB-CG1 4.45Å; I67-I117 HydrophobicContact CG1-CG1 4.06Å; I67-I117 HydrophobicContact CG2-CD1 4.45Å; I67-I117 HydrophobicContact CG2-CG1 4.18Å
68G98.8Very high98Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-85.3103.1164.900000110.1G70 L95 T97 I117 H119G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 3.13Å; G68-L95 WeakPolarHBondContact CA-O 3.21Å; G68-T97 PolarHBondContact O-OG1 3.3Å; G68-I117 PolarHBondContact N-O 3.04Å; G68-H119 PolarHBondContact O-N 3.12Å
69R98.5Very high98Very high48 Ų4842.2 Ų42.218%0.18124%0.242CC..EExtended strand (participates in β ladder)trans-89.529.4-17165.9170.9-63.3176.6-0.1114.8I67 E73 L75 Q76 V77 V94 L95I67-R69 HydrophobicContact CG2-CB 4.47Å; R69-E73 HydrophobicContact CG-CB 4.09Å; R69-E73 HydrophobicContact CG-CG 4.15Å; R69-E73 VanDerWaalsContact CZ-O 3.25Å; R69-E73 PolarHBondContact NE-O 3.41Å; R69-E73 VanDerWaalsContact NE-O 3.09Å; R69-E73 PolarHBondContact NH2-O 3.27Å; R69-E73 CarbonylContact O-C 3.6Å; R69-E73 WeakPolarHBondContact O-CA 3.45Å; R69-L75 HydrophobicContact CB-CB 4.49Å; R69-L75 VanDerWaalsContact CZ-O 3.25Å; R69-L75 PolarHBondContact NE-O 2.99Å; R69-L75 PolarHBondContact NH2-O 2.67Å; R69-L75 WeakPolarHBondContact O-CB 3.43Å; R69-L75 PolarHBondContact O-N 3.21Å; R69-Q76 VanDerWaalsContact NH2-CD 3.32Å; R69-V77 HydrophobicContact CB-CG2 4.29Å; R69-V94 HydrophobicContact CG-CG1 4.34Å; R69-L95 WeakPolarHBondContact CG-O 3.33Å; R69-L95 PolarHBondContact N-O 3.04Å
70G98.2Very high98Very high0 Ų039 Ų390%024%0.235CC..  trans96.1162.2-178.200000113.3G68 N72 E73 T97 H119 T121G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 3.13Å; G70-N72 PolarHBondContact O-N 2.9Å; G70-E73 PolarHBondContact O-N 2.73Å; G70-T97 VanDerWaalsContact CA-OG1 3.27Å; G70-T97 WeakPolarHBondContact CA-OG1 3.32Å; G70-T97 PolarHBondContact N-OG1 2.88Å; G70-T97 PolarHBondContact O-N 2.87Å; G70-T97 PolarHBondContact O-OG1 3.07Å; G70-H119 WeakPolarHBondContact CA-O 3.33Å; G70-T121 CarbonylContact C-O 3.46Å; G70-T121 WeakPolarHBondContact CA-O 3.4Å
71M97.6Very high98.1Very high29 Ų2934 Ų3414%0.14321%0.213CC..THydrogen-bonded Turntrans-61.9-33.9177.8-61.6-62.5-167.300111.9L9 W11 Q96 E98 S120 T121L9-M71 HydrophobicContact CD1-CE 3.79Å; L9-M71 HydrophobicContact CD2-CE 3.64Å; L9-M71 HydrophobicContact CD2-SD 4.2Å; L9-M71 HydrophobicContact CG-CE 3.74Å; W11-M71 HydrophobicContact CE3-CG 4.11Å; W11-M71 HydrophobicContact CZ3-CB 4.2Å; W11-M71 HydrophobicContact CZ3-CG 4.16Å; M71-Q96 VanDerWaalsContact O-CG 3.26Å; M71-Q96 WeakPolarHBondContact O-CG 3.45Å; M71-Q96 PolarHBondContact O-NE2 2.84Å; M71-E98 HydrophobicContact SD-CG 4.16Å; M71-S120 WeakPolarHBondContact CE-O 3.14Å; M71-T121 WeakPolarHBondContact CG-O 3.43Å; M71-T121 PolarHBondContact N-O 2.99Å
72N97.6Very high98.2Very high112 Ų11233 Ų3360%0.59920%0.197SC*.THydrogen-bonded Turntrans-112.812-178.5-69.1-5.2000112.9G70 A74 C122G70-N72 PolarHBondContact O-N 2.9Å; N72-A74 PolarHBondContact O-N 2.85Å; N72-A74 VanDerWaalsContact O-N 3.1Å; N72-C122 HydrophobicContact CB-CB 4.34Å; N72-C122 PolarHBondContact ND2-SG 3.1Å
73E98.1Very high98.2Very high91 Ų9136.1 Ų36.143%0.42521%0.213SC..SBendtrans57.722.3-179-54.1-177.5148.700114.4R69 G70 L75 Q96R69-E73 HydrophobicContact CG-CB 4.09Å; R69-E73 HydrophobicContact CG-CG 4.15Å; R69-E73 VanDerWaalsContact CZ-O 3.25Å; R69-E73 PolarHBondContact NE-O 3.41Å; R69-E73 VanDerWaalsContact NE-O 3.09Å; R69-E73 PolarHBondContact NH2-O 3.27Å; R69-E73 CarbonylContact O-C 3.6Å; R69-E73 WeakPolarHBondContact O-CA 3.45Å; G70-E73 PolarHBondContact O-N 2.73Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.3Å; E73-Q96 HydrophobicContact CG-CB 3.74Å; E73-Q96 HydrophobicContact CG-CG 4.13Å; E73-Q96 WeakPolarHBondContact OE1-CB 3.16Å; E73-Q96 PolarHBondContact OE1-N 2.81Å
74A97.6Very high98.2Very high37 Ų3735.2 Ų35.231%0.30620%0.199SC..  trans-73.5-29.2-173.500000112N72 Q76 C122N72-A74 PolarHBondContact O-N 2.85Å; N72-A74 VanDerWaalsContact O-N 3.1Å; A74-Q76 PolarHBondContact O-N 2.85Å; A74-Q76 PolarHBondContact O-NE2 2.83Å; A74-C122 HydrophobicContact CB-CB 4.33Å; A74-C122 VanDerWaalsContact CB-OXT 3.24Å; A74-C122 WeakPolarHBondContact CB-OXT 3.46Å; A74-C122 PolarHBondContact N-OXT 2.6Å; A74-C122 VanDerWaalsContact N-OXT 3.11Å
75L98.4Very high98.2Very high0 Ų034.7 Ų34.70%020%0.195CC..SBendtrans-67.8119.1173.9178.361.2000110.1W36 W38 T43 D44 V49 R69 E73 H119W36-L75 HydrophobicContact CH2-CD2 3.55Å; W36-L75 HydrophobicContact CZ2-CD2 4.5Å; W36-L75 HydrophobicContact CZ3-CD2 4.14Å; W38-L75 HydrophobicContact CH2-CD1 3.89Å; W38-L75 HydrophobicContact CH2-CD2 4.28Å; W38-L75 HydrophobicContact CZ2-CD1 4.07Å; W38-L75 HydrophobicContact CZ2-CD2 3.76Å; W38-L75 HydrophobicContact CZ2-CG 4.44Å; W38-L75 HydrophobicContact CZ3-CD1 4.44Å; T43-L75 HydrophobicContact CG2-CD1 4.14Å; D44-L75 WeakPolarHBondContact O-CD1 3.45Å; V49-L75 HydrophobicContact CG2-CD1 4.4Å; V49-L75 HydrophobicContact CG2-CD2 3.8Å; V49-L75 HydrophobicContact CG2-CG 4Å; R69-L75 HydrophobicContact CB-CB 4.49Å; R69-L75 VanDerWaalsContact CZ-O 3.25Å; R69-L75 PolarHBondContact NE-O 2.99Å; R69-L75 PolarHBondContact NH2-O 2.67Å; R69-L75 WeakPolarHBondContact O-CB 3.43Å; R69-L75 PolarHBondContact O-N 3.21Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.3Å; L75-H119 HydrophobicContact CD2-CB 3.99Å
76Q98.4Very high98Very high63 Ų6342.2 Ų42.229%0.29422%0.224SC..  trans-74.5154.1178.4-62.6-49.7-47.200112.5H45 H46 G48 V49 R69 A74H45-Q76 WeakPolarHBondContact O-CB 3.39Å; H45-Q76 WeakPolarHBondContact O-CG 3.43Å; H45-Q76 PolarHBondContact O-N 3.32Å; H46-Q76 VanDerWaalsContact CD2-CG 3.48Å; H46-Q76 WeakPolarHBondContact CD2-CG 3.47Å; H46-Q76 VanDerWaalsContact NE2-CG 3.26Å; H46-Q76 WeakPolarHBondContact NE2-CG 3.5Å; G48-Q76 CarbonylContact C-O 3.5Å; G48-Q76 WeakPolarHBondContact CA-O 3.38Å; V49-Q76 PolarHBondContact N-O 2.89Å; R69-Q76 VanDerWaalsContact NH2-CD 3.32Å; A74-Q76 PolarHBondContact O-N 2.85Å; A74-Q76 PolarHBondContact O-NE2 2.83Å
77V98.4Very high97.9Very high23 Ų2350 Ų5014%0.13926%0.26CS..  trans-123.496.2168.2-173.80000107.4V49 I67 R69 T81 V82 V94V49-V77 HydrophobicContact CG2-CG2 4.1Å; I67-V77 HydrophobicContact CD1-CG1 4.05Å; I67-V77 HydrophobicContact CG2-CG2 4Å; R69-V77 HydrophobicContact CB-CG2 4.29Å; V77-T81 HydrophobicContact CG1-CG2 4.44Å; V77-V82 HydrophobicContact CG1-CG2 4.02Å; V77-V94 HydrophobicContact CB-CG1 4.28Å; V77-V94 HydrophobicContact CG1-CG2 4.3Å; V77-V94 HydrophobicContact CG2-CG1 3.7Å
78P98Very high97.8Very high27 Ų2755 Ų5518%0.17528%0.279CS..  trans-55.6148.9180-2936.4000113.2P47 V49 S80 T81 V82P47-P78 WeakPolarHBondContact O-CG 3.33Å; V49-P78 WeakPolarHBondContact O-CD 3.41Å; P78-S80 WeakPolarHBondContact CB-OG 3.11Å; P78-S80 PolarHBondContact O-N 3.29Å; P78-T81 WeakPolarHBondContact O-CB 3.41Å; P78-T81 PolarHBondContact O-N 3Å; P78-V82 PolarHBondContact O-N 3.01Å; P78-V82 VanDerWaalsContact O-N 3.09Å
79S97.7Very high97.8Very high89 Ų8958.4 Ų58.462%0.62231%0.313SS*.Hα-helixtrans-56.9-36.5171.954.50000112.1T81 V82 D83S79-T81 PolarHBondContact O-N 2.89Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 PolarHBondContact O-N 2.89Å; S79-V82 VanDerWaalsContact O-N 3.11Å; S79-D83 WeakPolarHBondContact O-CB 3.38Å; S79-D83 PolarHBondContact O-N 3.03Å
80S97.5Very high97.8Very high71 Ų7156.9 Ų56.950%0.49731%0.31SS..Hα-helixtrans-57.9-36.9174.855.90000112.8P78 F84P78-S80 WeakPolarHBondContact CB-OG 3.11Å; P78-S80 PolarHBondContact O-N 3.29Å; S80-F84 WeakPolarHBondContact O-CB 3.48Å; S80-F84 PolarHBondContact O-N 3.38Å
81T98.2Very high97.8Very high0 Ų062.4 Ų62.40%034%0.335CS..Hα-helixtrans-73.8-39176.8-57.90000111V49 P51 L54 V77 P78 S79 V85V49-T81 HydrophobicContact CB-CG2 4.39Å; V49-T81 HydrophobicContact CG1-CG2 4.01Å; V49-T81 PolarHBondContact O-OG1 2.87Å; P51-T81 WeakPolarHBondContact CD-OG1 3.07Å; L54-T81 HydrophobicContact CD1-CG2 3.42Å; L54-T81 VanDerWaalsContact CD1-CG2 3.42Å; L54-T81 HydrophobicContact CG-CG2 4.34Å; V77-T81 HydrophobicContact CG1-CG2 4.44Å; P78-T81 WeakPolarHBondContact O-CB 3.41Å; P78-T81 PolarHBondContact O-N 3Å; S79-T81 PolarHBondContact O-N 2.89Å; T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.2Å
82V98.2Very high97.8Very high25 Ų2562.3 Ų62.315%0.15234%0.335CS..Hα-helixtrans-61.5-49.3173.7173.60000111.2V77 P78 S79 F84 V85 R86 L92V77-V82 HydrophobicContact CG1-CG2 4.02Å; P78-V82 PolarHBondContact O-N 3.01Å; P78-V82 VanDerWaalsContact O-N 3.09Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 PolarHBondContact O-N 2.89Å; S79-V82 VanDerWaalsContact O-N 3.11Å; V82-F84 VanDerWaalsContact C-N 3.32Å; V82-F84 PolarHBondContact O-N 2.83Å; V82-V85 PolarHBondContact O-N 3.12Å; V82-R86 HydrophobicContact CG1-CG 4.49Å; V82-R86 WeakPolarHBondContact O-CG 3.33Å; V82-R86 PolarHBondContact O-N 2.93Å; V82-L92 HydrophobicContact CB-CD2 4.03Å; V82-L92 HydrophobicContact CG1-CD2 3.99Å; V82-L92 HydrophobicContact CG2-CD2 3.82Å
83D98.1Very high97.9Very high74 Ų7458.3 Ų58.340%0.39631%0.314SS..Hα-helixtrans-64-40.2-178.9-67.1-24.4000111.1S79 V85 R86 Q87S79-D83 WeakPolarHBondContact O-CB 3.38Å; S79-D83 PolarHBondContact O-N 3.03Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.22Å; D83-R86 PolarHBondContact O-N 3.45Å; D83-Q87 VanDerWaalsContact O-CB 3.31Å; D83-Q87 WeakPolarHBondContact O-CB 3.42Å; D83-Q87 WeakPolarHBondContact O-CG 3.11Å; D83-Q87 PolarHBondContact O-N 2.84Å
84F98.1Very high97.9Very high40 Ų4056.3 Ų56.318%0.17531%0.308CS..Hα-helixtrans-57.2-38.8175.9176.4-95000113.6P51 E55 L58 S80 V82 R88P51-F84 HydrophobicContact CB-CB 4.36Å; P51-F84 HydrophobicContact CB-CD1 3.75Å; P51-F84 HydrophobicContact CB-CD2 3.77Å; P51-F84 HydrophobicContact CB-CE1 3.73Å; P51-F84 HydrophobicContact CB-CE2 3.74Å; P51-F84 HydrophobicContact CB-CG 3.73Å; P51-F84 HydrophobicContact CB-CZ 3.68Å; P51-F84 HydrophobicContact CG-CB 4.39Å; P51-F84 HydrophobicContact CG-CD2 4.39Å; P51-F84 HydrophobicContact CG-CG 4.26Å; E55-F84 WeakPolarHBondContact OE2-CZ 3.26Å; L58-F84 HydrophobicContact CD1-CD1 4.15Å; L58-F84 HydrophobicContact CD1-CE1 3.74Å; S80-F84 WeakPolarHBondContact O-CB 3.48Å; S80-F84 PolarHBondContact O-N 3.38Å; V82-F84 VanDerWaalsContact C-N 3.32Å; V82-F84 PolarHBondContact O-N 2.83Å; F84-R88 PolarHBondContact O-NH1 3.34Å
85V98.1Very high98Very high0 Ų057.1 Ų57.10%031%0.306CS..Hα-helixtrans-73.7-48.4176.4177.80000110.4L54 L58 L65 T81 V82 D83 Q87 R88 V90 L92L54-V85 HydrophobicContact CD1-CG2 3.42Å; L54-V85 VanDerWaalsContact CD1-CG2 3.42Å; L58-V85 HydrophobicContact CD1-CG2 4.39Å; L58-V85 HydrophobicContact CD2-CG1 4.34Å; L65-V85 HydrophobicContact CB-CG1 4.41Å; L65-V85 HydrophobicContact CD2-CG1 4.05Å; L65-V85 HydrophobicContact CD2-CG2 3.74Å; T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.2Å; V82-V85 PolarHBondContact O-N 3.12Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.22Å; V85-Q87 VanDerWaalsContact C-N 3.35Å; V85-Q87 PolarHBondContact O-N 3.46Å; V85-R88 WeakPolarHBondContact O-CB 3.08Å; V85-R88 PolarHBondContact O-N 2.82Å; V85-V90 HydrophobicContact CG1-CB 3.78Å; V85-V90 HydrophobicContact CG1-CG1 3.83Å; V85-L92 HydrophobicContact CB-CD2 4.4Å; V85-L92 HydrophobicContact CG1-CB 4.01Å; V85-L92 HydrophobicContact CG1-CD1 4.28Å; V85-L92 HydrophobicContact CG2-CD1 4.42Å
86R95.3Very high98Very high158 Ų15858 Ų5860%0.59631%0.311SS*.Hα-helixtrans-63.5-37.4-177.5-73.1178.9174.1171.1-2.1113V82 D83 R88 G89V82-R86 HydrophobicContact CG1-CG 4.49Å; V82-R86 WeakPolarHBondContact O-CG 3.33Å; V82-R86 PolarHBondContact O-N 2.93Å; D83-R86 PolarHBondContact O-N 3.45Å; R86-R88 PolarHBondContact O-N 3.35Å; R86-G89 PolarHBondContact O-N 3.13Å
87Q97.1Very high98Very high162 Ų16255 Ų5576%0.75730%0.297SS*.THydrogen-bonded Turntrans-62.4-21175.7-75.31738.300113.1D83 V85 G89D83-Q87 VanDerWaalsContact O-CB 3.31Å; D83-Q87 WeakPolarHBondContact O-CB 3.42Å; D83-Q87 WeakPolarHBondContact O-CG 3.11Å; D83-Q87 PolarHBondContact O-N 2.84Å; V85-Q87 VanDerWaalsContact C-N 3.35Å; V85-Q87 PolarHBondContact O-N 3.46Å; Q87-G89 VanDerWaalsContact C-N 3.3Å
88R96.9Very high98Very high107 Ų10759.4 Ų59.440%0.40432%0.316SS..THydrogen-bonded Turntrans-88.24.8173.1-69.9169168.571.7-5.1113.2E55 F84 V85 R86 V90E55-R88 IonicContact OE2-CZ 3.7Å; E55-R88 IonicContact OE2-NE 3.9Å; E55-R88 IonicContact OE2-NH2 2.91Å; E55-R88 PolarHBondContact OE2-NH2 2.59Å; F84-R88 PolarHBondContact O-NH1 3.34Å; V85-R88 WeakPolarHBondContact O-CB 3.08Å; V85-R88 PolarHBondContact O-N 2.82Å; R86-R88 PolarHBondContact O-N 3.35Å; R88-V90 VanDerWaalsContact C-N 3.27Å; R88-V90 HydrophobicContact CB-CG2 4.35Å; R88-V90 PolarHBondContact O-N 2.85Å
89G97.2Very high98Very high70 Ų7064.3 Ų64.372%0.72233%0.334SS*.THydrogen-bonded Turntrans71.420.3-179.100000113.9R86 Q87R86-G89 PolarHBondContact O-N 3.13Å; Q87-G89 VanDerWaalsContact C-N 3.3Å
90V98.3Very high98.1Very high17 Ų1760.1 Ų60.110%0.10331%0.305CS..  trans-96.8133.1179.1177.30000109.5L58 V62 L65 V85 R88L58-V90 HydrophobicContact CD2-CB 4.15Å; L58-V90 HydrophobicContact CD2-CG1 4Å; L58-V90 HydrophobicContact CD2-CG2 3.87Å; V62-V90 HydrophobicContact CG2-CG1 4.25Å; L65-V90 HydrophobicContact CB-CG1 3.88Å; V85-V90 HydrophobicContact CG1-CB 3.78Å; V85-V90 HydrophobicContact CG1-CG1 3.83Å; R88-V90 VanDerWaalsContact C-N 3.27Å; R88-V90 HydrophobicContact CB-CG2 4.35Å; R88-V90 PolarHBondContact O-N 2.85Å
91E98.3Very high98.2Very high115 Ų11557.4 Ų57.454%0.53729%0.285SS..EExtended strand (participates in β ladder)trans-69.5133.1172.4-178-177.5-162.100109.8A63 T64 L65A63-E91 PolarHBondContact O-N 2.86Å; T64-E91 CarbonylContact C-O 3.53Å; T64-E91 WeakPolarHBondContact CA-O 3.44Å; T64-E91 HydrophobicContact CG2-CB 4.17Å; T64-E91 HydrophobicContact CG2-CG 4.17Å; T64-E91 PolarHBondContact OG1-OE2 3.4Å; T64-E91 VanDerWaalsContact OG1-OE2 3.06Å; L65-E91 PolarHBondContact N-O 3.44Å
92L98.7Very high98.2Very high27 Ų2761.4 Ų61.414%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-116.3124.4-179.2-178.866000111.1L65 I67 V82 V85 V94L65-L92 HydrophobicContact CB-CD1 4.23Å; L65-L92 HydrophobicContact CD2-CD1 3.92Å; L65-L92 HydrophobicContact CG-CD1 4.21Å; L65-L92 WeakPolarHBondContact O-CA 3.48Å; I67-L92 HydrophobicContact CD1-CD1 3.77Å; I67-L92 HydrophobicContact CG1-CD1 3.95Å; V82-L92 HydrophobicContact CB-CD2 4.03Å; V82-L92 HydrophobicContact CG1-CD2 3.99Å; V82-L92 HydrophobicContact CG2-CD2 3.82Å; V85-L92 HydrophobicContact CB-CD2 4.4Å; V85-L92 HydrophobicContact CG1-CB 4.01Å; V85-L92 HydrophobicContact CG1-CD1 4.28Å; V85-L92 HydrophobicContact CG2-CD1 4.42Å; L92-V94 HydrophobicContact CD1-CG2 4.26Å; L92-V94 HydrophobicContact CD2-CG2 4.01Å; L92-V94 HydrophobicContact CG-CG2 3.89Å
93I98.8Very high98.2Very high28 Ų2863.5 Ų63.514%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-114.2123.5173.7-60.4173.7000108T64 L65 V66 I67 L95 E103 L107T64-I93 HydrophobicContact CG2-CD1 3.73Å; T64-I93 HydrophobicContact CG2-CG1 4.17Å; L65-I93 PolarHBondContact O-N 3.4Å; V66-I93 CarbonylContact C-O 3.56Å; V66-I93 WeakPolarHBondContact CA-O 3.38Å; V66-I93 HydrophobicContact CG1-CG2 4.44Å; V66-I93 HydrophobicContact CG2-CB 4.3Å; V66-I93 HydrophobicContact CG2-CD1 4.42Å; I67-I93 PolarHBondContact N-O 2.61Å; I93-L95 HydrophobicContact CG2-CD1 3.54Å; I93-L95 HydrophobicContact CG2-CG 3.78Å; I93-E103 HydrophobicContact CD1-CG 4Å; I93-E103 HydrophobicContact CG2-CG 4.37Å; I93-L107 HydrophobicContact CD1-CD1 4.1Å
94V98.8Very high98.3Very high50 Ų5060 Ų6030%0.30330%0.298SS..EExtended strand (participates in β ladder)trans-121.2120.3178.2-175.50000108.7I67 R69 V77 L92I67-V94 HydrophobicContact CB-CG1 4.45Å; I67-V94 HydrophobicContact CB-CG2 4.33Å; I67-V94 HydrophobicContact CD1-CG2 4.41Å; R69-V94 HydrophobicContact CG-CG1 4.34Å; V77-V94 HydrophobicContact CB-CG1 4.28Å; V77-V94 HydrophobicContact CG1-CG2 4.3Å; V77-V94 HydrophobicContact CG2-CG1 3.7Å; L92-V94 HydrophobicContact CD1-CG2 4.26Å; L92-V94 HydrophobicContact CD2-CG2 4.01Å; L92-V94 HydrophobicContact CG-CG2 3.89Å
95L98.8Very high98.3Very high53 Ų5359.7 Ų59.728%0.27730%0.299SS..EExtended strand (participates in β ladder)trans-145.8159.7-173.4-65.4170.7000111.1I67 G68 R69 I93 K99 A100 E103I67-L95 PolarHBondContact O-N 2.86Å; I67-L95 VanDerWaalsContact O-O 3.13Å; G68-L95 WeakPolarHBondContact CA-O 3.21Å; R69-L95 WeakPolarHBondContact CG-O 3.33Å; R69-L95 PolarHBondContact N-O 3.04Å; I93-L95 HydrophobicContact CG2-CD1 3.54Å; I93-L95 HydrophobicContact CG2-CG 3.78Å; L95-K99 HydrophobicContact CB-CB 4.18Å; L95-K99 HydrophobicContact CD1-CB 4.29Å; L95-A100 HydrophobicContact CB-CB 3.96Å; L95-E103 HydrophobicContact CD1-CB 4.09Å; L95-E103 HydrophobicContact CD1-CG 4.46Å
96Q98.7Very high98.3Very high20 Ų2063.7 Ų63.79%0.09332%0.32CS..  trans-50.6141.8158.7-173.4-85.6-12.200110.5M71 E73 E98 K99 A100M71-Q96 VanDerWaalsContact O-CG 3.26Å; M71-Q96 WeakPolarHBondContact O-CG 3.45Å; M71-Q96 PolarHBondContact O-NE2 2.84Å; E73-Q96 HydrophobicContact CG-CB 3.74Å; E73-Q96 HydrophobicContact CG-CG 4.13Å; E73-Q96 WeakPolarHBondContact OE1-CB 3.16Å; E73-Q96 PolarHBondContact OE1-N 2.81Å; Q96-E98 PolarHBondContact NE2-OE2 2.83Å; Q96-E98 PolarHBondContact O-N 2.82Å; Q96-K99 WeakPolarHBondContact O-CB 3.25Å; Q96-K99 PolarHBondContact O-N 2.8Å; Q96-K99 VanDerWaalsContact O-N 3.12Å; Q96-A100 WeakPolarHBondContact O-CB 3.45Å; Q96-A100 PolarHBondContact O-N 3.09Å
97T98.8Very high98.5Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-58.9-37.1-164.4-61.90000115.2L9 G68 G70 A100 I101 F118 H119L9-T97 HydrophobicContact CD1-CG2 4.21Å; L9-T97 HydrophobicContact CD2-CG2 3.94Å; G68-T97 PolarHBondContact O-OG1 3.3Å; G70-T97 VanDerWaalsContact CA-OG1 3.27Å; G70-T97 WeakPolarHBondContact CA-OG1 3.32Å; G70-T97 PolarHBondContact N-OG1 2.88Å; G70-T97 PolarHBondContact O-N 2.87Å; G70-T97 PolarHBondContact O-OG1 3.07Å; T97-A100 WeakPolarHBondContact O-CB 3.33Å; T97-A100 PolarHBondContact O-N 3.49Å; T97-I101 HydrophobicContact CG2-CD1 4.1Å; T97-I101 HydrophobicContact CG2-CG1 4.44Å; T97-I101 WeakPolarHBondContact O-CG1 3.42Å; T97-I101 PolarHBondContact O-N 3.47Å; T97-F118 HydrophobicContact CG2-CB 4.42Å; T97-F118 HydrophobicContact CG2-CD1 4.46Å; T97-H119 WeakPolarHBondContact CB-O 3.42Å; T97-H119 VanDerWaalsContact CG2-O 3.27Å; T97-H119 WeakPolarHBondContact CG2-O 3.47Å; T97-H119 PolarHBondContact OG1-O 3.2Å
98E98.8Very high98.5Very high114 Ų11450.8 Ų50.853%0.53327%0.269SS..Hα-helixtrans-67.7-42.6178.4-61.8171.2119.300111.4L9 M71 Q96 A100 I101 T102L9-E98 HydrophobicContact CD2-CG 3.71Å; M71-E98 HydrophobicContact SD-CG 4.16Å; Q96-E98 PolarHBondContact NE2-OE2 2.83Å; Q96-E98 PolarHBondContact O-N 2.82Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-I101 PolarHBondContact O-N 3.24Å; E98-T102 PolarHBondContact O-N 3.2Å; E98-T102 PolarHBondContact O-OG1 2.87Å
99K98.8Very high98.6Very high131 Ų13149 Ų4957%0.5729%0.285SS*.Hα-helixtrans-64.7-40.9173.2-64.4178.1-176.8172.20111.2L95 Q96 I101 T102 E103L95-K99 HydrophobicContact CB-CB 4.18Å; L95-K99 HydrophobicContact CD1-CB 4.29Å; Q96-K99 WeakPolarHBondContact O-CB 3.25Å; Q96-K99 PolarHBondContact O-N 2.8Å; Q96-K99 VanDerWaalsContact O-N 3.12Å; K99-I101 PolarHBondContact O-N 3.01Å; K99-T102 PolarHBondContact O-N 3.31Å; K99-E103 WeakPolarHBondContact O-CB 3.27Å; K99-E103 PolarHBondContact O-N 2.89Å
100A98.9Very high98.6Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-59.8-45.1177.400000111.7V66 L95 Q96 T97 E98 E103 Y104 F118V66-A100 HydrophobicContact CG1-CB 3.86Å; L95-A100 HydrophobicContact CB-CB 3.96Å; Q96-A100 WeakPolarHBondContact O-CB 3.45Å; Q96-A100 PolarHBondContact O-N 3.09Å; T97-A100 WeakPolarHBondContact O-CB 3.33Å; T97-A100 PolarHBondContact O-N 3.49Å; E98-A100 VanDerWaalsContact C-N 3.34Å; A100-E103 PolarHBondContact O-N 3.4Å; A100-Y104 WeakPolarHBondContact O-CB 3.45Å; A100-Y104 PolarHBondContact O-N 2.6Å; A100-F118 HydrophobicContact CB-CD1 4.11Å; A100-F118 HydrophobicContact CB-CE1 3.78Å
101I98.8Very high98.5Very high15 Ų1555.1 Ų55.18%0.07731%0.311CS..Hα-helixtrans-66.7-41.4177.4-70.3174.2000111.2I6 L9 M14 T97 E98 K99 E103 Y104 N105 F118I6-I101 HydrophobicContact CB-CG2 4.03Å; I6-I101 HydrophobicContact CD1-CG1 3.94Å; I6-I101 HydrophobicContact CG2-CD1 3.97Å; I6-I101 HydrophobicContact CG2-CG1 4.29Å; I6-I101 HydrophobicContact CG2-CG2 4.01Å; L9-I101 HydrophobicContact CB-CD1 3.65Å; L9-I101 HydrophobicContact CD1-CD1 4.01Å; L9-I101 HydrophobicContact CD2-CD1 3.58Å; L9-I101 HydrophobicContact CG-CD1 3.93Å; M14-I101 HydrophobicContact CE-CD1 3.63Å; M14-I101 HydrophobicContact CE-CG1 4.27Å; T97-I101 HydrophobicContact CG2-CD1 4.1Å; T97-I101 HydrophobicContact CG2-CG1 4.44Å; T97-I101 WeakPolarHBondContact O-CG1 3.42Å; T97-I101 PolarHBondContact O-N 3.47Å; E98-I101 PolarHBondContact O-N 3.24Å; K99-I101 PolarHBondContact O-N 3.01Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.1Å; I101-Y104 PolarHBondContact O-N 3.42Å; I101-N105 WeakPolarHBondContact O-CB 3.35Å; I101-N105 PolarHBondContact O-N 2.93Å; I101-F118 HydrophobicContact CG1-CD1 3.74Å; I101-F118 HydrophobicContact CG1-CE1 3.89Å; I101-F118 HydrophobicContact CG1-CG 4.49Å
102T98.8Very high98.5Very high84 Ų8451.1 Ų51.152%0.51530%0.297SS..Hα-helixtrans-58.2-49.4176.8-580000110.3E98 K99 N105 N106E98-T102 PolarHBondContact O-N 3.2Å; E98-T102 PolarHBondContact O-OG1 2.87Å; K99-T102 PolarHBondContact O-N 3.31Å; T102-N105 PolarHBondContact O-N 2.86Å; T102-N106 PolarHBondContact O-N 3.21Å; T102-N106 PolarHBondContact O-ND2 3.11Å
103E98.9Very high98.4Very high68 Ų6856.3 Ų56.332%0.31832%0.319SS..Hα-helixtrans-65.1-45.3178.8-173.458.1-161.300112.2I93 L95 K99 A100 I101 N105 N106 L107I93-E103 HydrophobicContact CD1-CG 4Å; I93-E103 HydrophobicContact CG2-CG 4.37Å; L95-E103 HydrophobicContact CD1-CB 4.09Å; L95-E103 HydrophobicContact CD1-CG 4.46Å; K99-E103 WeakPolarHBondContact O-CB 3.27Å; K99-E103 PolarHBondContact O-N 2.89Å; A100-E103 PolarHBondContact O-N 3.4Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.1Å; E103-N105 PolarHBondContact O-N 3.47Å; E103-N106 WeakPolarHBondContact O-CB 3.12Å; E103-N106 PolarHBondContact O-N 2.96Å; E103-L107 HydrophobicContact CG-CD1 4.36Å; E103-L107 WeakPolarHBondContact O-CG 3.44Å; E103-L107 PolarHBondContact O-N 2.96Å
104Y98.9Very high98.4Very high0 Ų055 Ų550%031%0.312CS..Hα-helixtrans-56.5-49175.4172.8-90.8000111.8P4 I6 V28 V66 A100 I101 N106 L107 V108 V114 F118P4-Y104 WeakPolarHBondContact O-CE1 3.27Å; P4-Y104 PolarHBondContact O-OH 2.7Å; I6-Y104 HydrophobicContact CD1-CD1 3.66Å; I6-Y104 HydrophobicContact CD1-CE1 3.9Å; I6-Y104 HydrophobicContact CD1-CG 4.29Å; I6-Y104 HydrophobicContact CG1-CD1 3.94Å; I6-Y104 HydrophobicContact CG1-CE1 3.79Å; V28-Y104 HydrophobicContact CG2-CD2 4.25Å; V28-Y104 HydrophobicContact CG2-CE1 4.19Å; V28-Y104 HydrophobicContact CG2-CE2 3.45Å; V28-Y104 VanDerWaalsContact CG2-CE2 3.45Å; V28-Y104 VanDerWaalsContact CG2-CZ 3.42Å; V28-Y104 WeakPolarHBondContact CG2-OH 3.36Å; V66-Y104 HydrophobicContact CG2-CD2 4.41Å; A100-Y104 WeakPolarHBondContact O-CB 3.45Å; A100-Y104 PolarHBondContact O-N 2.6Å; I101-Y104 PolarHBondContact O-N 3.42Å; Y104-N106 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.46Å; Y104-L107 WeakPolarHBondContact O-CB 3.44Å; Y104-L107 PolarHBondContact O-N 3.27Å; Y104-V108 HydrophobicContact CD1-CG2 4.02Å; Y104-V108 HydrophobicContact CE1-CG2 3.52Å; Y104-V108 HydrophobicContact CE2-CG2 4.26Å; Y104-V108 WeakPolarHBondContact O-CG2 3.25Å; Y104-V108 PolarHBondContact O-N 3.05Å; Y104-V114 HydrophobicContact CD2-CB 4.38Å; Y104-V114 HydrophobicContact CD2-CG1 3.95Å; Y104-V114 HydrophobicContact CD2-CG2 3.58Å; Y104-V114 HydrophobicContact CE2-CB 4.3Å; Y104-V114 HydrophobicContact CE2-CG1 3.68Å; Y104-V114 HydrophobicContact CE2-CG2 3.9Å; Y104-F118 HydrophobicContact CD1-CZ 4.41Å; Y104-F118 HydrophobicContact CD2-CE2 4.35Å; Y104-F118 AromaticContact CD2-CZ 3.94Å; Y104-F118 HydrophobicContact CD2-CZ 3.94Å; Y104-F118 HydrophobicContact CG-CE2 4.42Å; Y104-F118 AromaticContact CG-CZ 3.78Å; Y104-F118 HydrophobicContact CG-CZ 3.78Å
105N98.8Very high98.4Very high35 Ų3552.6 Ų52.619%0.18730%0.297CS..Hα-helixtrans-67.8-33.6-179.7-78.4-13.7000112.4I6 I101 T102 E103 V108 G109I6-N105 PolarHBondContact N-OD1 2.99Å; I6-N105 PolarHBondContact O-ND2 3.03Å; I101-N105 WeakPolarHBondContact O-CB 3.35Å; I101-N105 PolarHBondContact O-N 2.93Å; T102-N105 PolarHBondContact O-N 2.86Å; E103-N105 PolarHBondContact O-N 3.47Å; N105-V108 PolarHBondContact O-N 3.15Å; N105-G109 PolarHBondContact O-N 2.86Å
106N98.8Very high98.4Very high83 Ų8350 Ų5044%0.44428%0.284SS..Hα-helixtrans-60.4-46.4171.5-71.4-21.4000111.1T102 E103 Y104 G109 Q110T102-N106 PolarHBondContact O-N 3.21Å; T102-N106 PolarHBondContact O-ND2 3.11Å; E103-N106 WeakPolarHBondContact O-CB 3.12Å; E103-N106 PolarHBondContact O-N 2.96Å; Y104-N106 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.46Å; N106-G109 PolarHBondContact O-N 3.25Å; N106-Q110 WeakPolarHBondContact O-CG 3.26Å; N106-Q110 PolarHBondContact O-N 2.69Å; N106-Q110 VanDerWaalsContact O-N 3.13Å
107L98.6Very high98.4Very high19 Ų1949.1 Ų49.110%0.09928%0.28CS..Hα-helixtrans-64.4-40.3176.9-68.5169.5000112T64 V66 I93 E103 Y104 G109 Q110 G111 A112 V114T64-L107 HydrophobicContact CG2-CD1 3.98Å; V66-L107 HydrophobicContact CG2-CD1 4.27Å; I93-L107 HydrophobicContact CD1-CD1 4.1Å; E103-L107 HydrophobicContact CG-CD1 4.36Å; E103-L107 WeakPolarHBondContact O-CG 3.44Å; E103-L107 PolarHBondContact O-N 2.96Å; Y104-L107 WeakPolarHBondContact O-CB 3.44Å; Y104-L107 PolarHBondContact O-N 3.27Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 3.12Å; L107-Q110 PolarHBondContact O-N 3.19Å; L107-G111 PolarHBondContact O-N 3.15Å; L107-A112 HydrophobicContact CB-CB 4.17Å; L107-A112 HydrophobicContact CD2-CB 4.49Å; L107-A112 VanDerWaalsContact O-CB 3.31Å; L107-A112 WeakPolarHBondContact O-CB 3.4Å; L107-A112 PolarHBondContact O-N 3.45Å; L107-V114 HydrophobicContact CB-CB 4.11Å; L107-V114 HydrophobicContact CB-CG1 4.01Å; L107-V114 HydrophobicContact CB-CG2 4.25Å; L107-V114 HydrophobicContact CD1-CB 4.47Å; L107-V114 HydrophobicContact CD1-CG2 3.88Å
108V98.4Very high98.4Very high30 Ų3049.1 Ų49.118%0.18228%0.28CS..Hα-helixtrans-57.3-47171.7170.70000110.7S3 Y104 N105 Q110 G111 V114S3-V108 WeakPolarHBondContact O-CG1 3.31Å; Y104-V108 HydrophobicContact CD1-CG2 4.02Å; Y104-V108 HydrophobicContact CE1-CG2 3.52Å; Y104-V108 HydrophobicContact CE2-CG2 4.26Å; Y104-V108 WeakPolarHBondContact O-CG2 3.25Å; Y104-V108 PolarHBondContact O-N 3.05Å; N105-V108 PolarHBondContact O-N 3.15Å; V108-Q110 PolarHBondContact O-N 3.02Å; V108-G111 PolarHBondContact O-N 3.04Å; V108-V114 HydrophobicContact CG2-CG1 3.61Å
109G97.9Very high98.4Very high71 Ų7143.8 Ų43.873%0.73226%0.255SS*.Hα-helixtrans-62.3-26.8179.100000113.9N105 N106 L107 G111N105-G109 PolarHBondContact O-N 2.86Å; N106-G109 PolarHBondContact O-N 3.25Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 3.12Å; G109-G111 VanDerWaalsContact C-N 3.3Å
110Q97.8Very high98.3Very high148 Ų14837.6 Ų37.669%0.69223%0.228SC*.THydrogen-bonded Turntrans-82.9-3.8174.2-65.1167.632.400113.3N106 L107 V108 A112N106-Q110 WeakPolarHBondContact O-CG 3.26Å; N106-Q110 PolarHBondContact O-N 2.69Å; N106-Q110 VanDerWaalsContact O-N 3.13Å; L107-Q110 PolarHBondContact O-N 3.19Å; V108-Q110 PolarHBondContact O-N 3.02Å; Q110-A112 VanDerWaalsContact C-N 3.33Å
111G96.5Very high98.3Very high66 Ų6638.6 Ų38.668%0.6823%0.234SC*.THydrogen-bonded Turntrans77.615.8-177.200000114.2L107 V108 G109L107-G111 PolarHBondContact O-N 3.15Å; V108-G111 PolarHBondContact O-N 3.04Å; G109-G111 VanDerWaalsContact C-N 3.3Å
112A96.6Very high98Very high31 Ų3139.7 Ų39.726%0.25624%0.243SC..  trans-65.7148.6177.500000111.5L107 Q110 V114L107-A112 HydrophobicContact CB-CB 4.17Å; L107-A112 HydrophobicContact CD2-CB 4.49Å; L107-A112 VanDerWaalsContact O-CB 3.31Å; L107-A112 WeakPolarHBondContact O-CB 3.4Å; L107-A112 PolarHBondContact O-N 3.45Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; A112-V114 PolarHBondContact O-N 3.32Å
113K97Very high97.9Very high136 Ų13637.5 Ų37.559%0.59123%0.229SC*.  trans-79.773.7169.3-68.9-176.2-179.4178.20109.6P30 V62 A63P30-K113 HydrophobicContact CG-CB 4.29Å; V62-K113 CarbonylContact C-O 3.55Å; V62-K113 WeakPolarHBondContact CA-O 3.44Å; V62-K113 WeakPolarHBondContact CB-O 3.4Å; A63-K113 PolarHBondContact N-O 3.38Å
114V98.6Very high97.9Very high0 Ų035.8 Ų35.80%022%0.224CC..EExtended strand (participates in β ladder)trans-98.3137.5-177.562.60000111.1S3 T64 V66 Y104 L107 V108 A112S3-V114 VanDerWaalsContact CB-O 3.29Å; S3-V114 WeakPolarHBondContact CB-O 3.45Å; S3-V114 PolarHBondContact OG-N 2.92Å; S3-V114 PolarHBondContact OG-O 2.63Å; T64-V114 WeakPolarHBondContact O-CA 3.4Å; V66-V114 HydrophobicContact CG2-CG2 3.84Å; Y104-V114 HydrophobicContact CD2-CB 4.38Å; Y104-V114 HydrophobicContact CD2-CG1 3.95Å; Y104-V114 HydrophobicContact CD2-CG2 3.58Å; Y104-V114 HydrophobicContact CE2-CB 4.3Å; Y104-V114 HydrophobicContact CE2-CG1 3.68Å; Y104-V114 HydrophobicContact CE2-CG2 3.9Å; L107-V114 HydrophobicContact CB-CB 4.11Å; L107-V114 HydrophobicContact CB-CG1 4.01Å; L107-V114 HydrophobicContact CB-CG2 4.25Å; L107-V114 HydrophobicContact CD1-CB 4.47Å; L107-V114 HydrophobicContact CD1-CG2 3.88Å; V108-V114 HydrophobicContact CG2-CG1 3.61Å; A112-V114 PolarHBondContact O-N 3.32Å
115G98.8Very high97.8Very high0 Ų037.8 Ų37.80%024%0.237CC..EExtended strand (participates in β ladder)trans-121.9174.6166.100000110.7V28 T64 L65 V66V28-G115 CarbonylContact O-C 3.51Å; V28-G115 WeakPolarHBondContact O-CA 3.32Å; T64-G115 PolarHBondContact O-N 2.86Å; L65-G115 WeakPolarHBondContact CA-O 3.27Å; V66-G115 PolarHBondContact N-O 2.88Å
116G98.8Very high97.8Very high0 Ų038 Ų380%024%0.24CC..EExtended strand (participates in β ladder)trans-174170.2174.400000114.6K27 V28 V66K27-G116 CarbonylContact C-O 3.52Å; K27-G116 WeakPolarHBondContact CA-O 3.28Å; V28-G116 PolarHBondContact N-O 3.46Å; V28-G116 PolarHBondContact O-N 3.47Å; V66-G116 CarbonylContact O-C 3.39Å; V66-G116 WeakPolarHBondContact O-CA 3.47Å
117I98.9Very high97.7Very high0 Ų035.2 Ų35.20%023%0.227CC..EExtended strand (participates in β ladder)trans-128.9140.816964.9167.1000108.8C26 K27 W36 V49 D53 L54 V57 V66 I67 G68C26-I117 CarbonylContact O-C 3.54Å; C26-I117 WeakPolarHBondContact O-CA 3.28Å; K27-I117 HydrophobicContact CB-CG2 4.09Å; K27-I117 HydrophobicContact CD-CG2 4.13Å; K27-I117 HydrophobicContact CG-CG2 3.74Å; W36-I117 HydrophobicContact CD2-CB 4.3Å; W36-I117 HydrophobicContact CD2-CD1 4.38Å; W36-I117 HydrophobicContact CE3-CB 3.98Å; W36-I117 HydrophobicContact CE3-CD1 4.28Å; W36-I117 HydrophobicContact CE3-CG1 4.44Å; W36-I117 HydrophobicContact CH2-CD1 3.4Å; W36-I117 VanDerWaalsContact CH2-CD1 3.4Å; W36-I117 HydrophobicContact CH2-CG1 4.16Å; W36-I117 HydrophobicContact CZ2-CD1 3.53Å; W36-I117 HydrophobicContact CZ3-CB 4.11Å; W36-I117 HydrophobicContact CZ3-CD1 3.81Å; W36-I117 HydrophobicContact CZ3-CG1 4.08Å; V49-I117 HydrophobicContact CG1-CD1 3.56Å; V49-I117 HydrophobicContact CG2-CD1 4.25Å; D53-I117 HydrophobicContact CB-CD1 4.2Å; L54-I117 HydrophobicContact CD2-CD1 3.42Å; L54-I117 VanDerWaalsContact CD2-CD1 3.42Å; L54-I117 HydrophobicContact CD2-CG1 3.93Å; L54-I117 HydrophobicContact CD2-CG2 4.18Å; V57-I117 HydrophobicContact CG2-CG2 4.1Å; V66-I117 PolarHBondContact O-N 2.77Å; I67-I117 WeakPolarHBondContact CA-O 3.35Å; I67-I117 HydrophobicContact CB-CG1 4.45Å; I67-I117 HydrophobicContact CG1-CG1 4.06Å; I67-I117 HydrophobicContact CG2-CD1 4.45Å; I67-I117 HydrophobicContact CG2-CG1 4.18Å; G68-I117 PolarHBondContact N-O 3.04Å
118F98.8Very high97.7Very high0 Ų036.3 Ų36.30%024%0.236CC..EExtended strand (participates in β ladder)trans-137122.5-171.1-60.2-89.8000110.5I6 M14 D25 C26 V28 V66 T97 A100 I101 Y104I6-F118 HydrophobicContact CD1-CD1 4.31Å; I6-F118 HydrophobicContact CD1-CD2 3.69Å; I6-F118 HydrophobicContact CD1-CE1 4.07Å; I6-F118 HydrophobicContact CD1-CE2 3.44Å; I6-F118 VanDerWaalsContact CD1-CE2 3.44Å; I6-F118 HydrophobicContact CD1-CG 4.14Å; I6-F118 HydrophobicContact CD1-CZ 3.63Å; M14-F118 HydrophobicContact CE-CB 3.4Å; M14-F118 VanDerWaalsContact CE-CB 3.4Å; M14-F118 HydrophobicContact CE-CD2 4.42Å; M14-F118 HydrophobicContact CE-CG 3.89Å; M14-F118 HydrophobicContact SD-CB 3.73Å; D25-F118 WeakPolarHBondContact CA-O 3.42Å; D25-F118 WeakPolarHBondContact CB-O 3.32Å; C26-F118 PolarHBondContact N-O 3.22Å; C26-F118 PolarHBondContact O-N 2.97Å; V28-F118 HydrophobicContact CG2-CD2 4.31Å; V28-F118 HydrophobicContact CG2-CE2 3.62Å; V66-F118 HydrophobicContact CB-CZ 4.23Å; V66-F118 HydrophobicContact CG1-CE1 4.09Å; V66-F118 HydrophobicContact CG1-CZ 4.17Å; T97-F118 HydrophobicContact CG2-CB 4.42Å; T97-F118 HydrophobicContact CG2-CD1 4.46Å; A100-F118 HydrophobicContact CB-CD1 4.11Å; A100-F118 HydrophobicContact CB-CE1 3.78Å; I101-F118 HydrophobicContact CG1-CD1 3.74Å; I101-F118 HydrophobicContact CG1-CE1 3.89Å; I101-F118 HydrophobicContact CG1-CG 4.49Å; Y104-F118 HydrophobicContact CD1-CZ 4.41Å; Y104-F118 HydrophobicContact CD2-CE2 4.35Å; Y104-F118 AromaticContact CD2-CZ 3.94Å; Y104-F118 HydrophobicContact CD2-CZ 3.94Å; Y104-F118 HydrophobicContact CG-CE2 4.42Å; Y104-F118 AromaticContact CG-CZ 3.78Å; Y104-F118 HydrophobicContact CG-CZ 3.78Å
119H98.8Very high97.6Very high3 Ų336.7 Ų36.71%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-95.8124.4170.3-177.954.3000110.3D25 W36 W38 G68 G70 L75 T97 T121 C122D25-H119 VanDerWaalsContact CG-ND1 3.26Å; D25-H119 WeakPolarHBondContact OD1-CA 3.24Å; D25-H119 IonicContact OD1-ND1 3.26Å; D25-H119 PolarHBondContact OD1-ND1 2.85Å; D25-H119 IonicContact OD2-CE1 2.73Å; D25-H119 PolarHBondContact OD2-CE1 2.74Å; D25-H119 IonicContact OD2-CG 2.6Å; D25-H119 IonicContact OD2-ND1 3.3Å; D25-H119 PolarHBondContact OD2-ND1 2.61Å; W36-H119 HydrophobicContact CZ3-CB 4.03Å; W38-H119 AromaticContact CH2-CE1 3.67Å; W38-H119 AromaticContact CH2-ND1 3.95Å; W38-H119 AromaticContact CH2-NE2 3.92Å; W38-H119 HydrophobicContact CZ2-CB 4.28Å; W38-H119 AromaticContact CZ2-CE1 3.47Å; W38-H119 VanDerWaalsContact CZ2-CE1 3.47Å; W38-H119 WeakPolarHBondContact CZ2-CE1 3.44Å; W38-H119 AromaticContact CZ2-CG 3.63Å; W38-H119 AromaticContact CZ2-ND1 3.28Å; W38-H119 VanDerWaalsContact CZ2-ND1 3.28Å; W38-H119 WeakPolarHBondContact CZ2-ND1 3.43Å; W38-H119 AromaticContact CZ2-NE2 4Å; G68-H119 PolarHBondContact O-N 3.12Å; G70-H119 WeakPolarHBondContact CA-O 3.33Å; L75-H119 HydrophobicContact CD2-CB 3.99Å; T97-H119 WeakPolarHBondContact CB-O 3.42Å; T97-H119 VanDerWaalsContact CG2-O 3.27Å; T97-H119 WeakPolarHBondContact CG2-O 3.47Å; T97-H119 PolarHBondContact OG1-O 3.2Å; H119-T121 PolarHBondContact CD2-O 3.2Å; H119-T121 PolarHBondContact CE1-OG1 3.11Å; H119-T121 PolarHBondContact NE2-OG1 3.13Å; H119-C122 PolarHBondContact CD2-O 3.3Å; H119-C122 VanDerWaalsContact CD2-O 3.32Å; H119-C122 PolarHBondContact NE2-O 2.98Å
120S98.1Very high97.6Very high0 Ų034.1 Ų34.10%020%0.201CC..  trans-995.4-170.867.60000115.1G12 K24 D25 M71G12-S120 WeakPolarHBondContact CA-OG 3.2Å; G12-S120 PolarHBondContact N-O 3.3Å; G12-S120 PolarHBondContact N-OG 3.23Å; K24-S120 VanDerWaalsContact O-CB 3.28Å; K24-S120 WeakPolarHBondContact O-CB 3.4Å; K24-S120 PolarHBondContact O-OG 3.27Å; D25-S120 PolarHBondContact OD1-N 3.03Å; D25-S120 PolarHBondContact OD1-OG 3.07Å; M71-S120 WeakPolarHBondContact CE-O 3.14Å
121T97.2Very high97.6Very high21 Ų2124.6 Ų24.613%0.12916%0.161CC..  trans-121.4-153.7173.8590000110.4W11 G70 M71 H119W11-T121 HydrophobicContact CD2-CG2 4.09Å; W11-T121 HydrophobicContact CG-CG2 4.22Å; W11-T121 HydrophobicContact CZ2-CG2 4.2Å; G70-T121 CarbonylContact C-O 3.46Å; G70-T121 WeakPolarHBondContact CA-O 3.4Å; M71-T121 WeakPolarHBondContact CG-O 3.43Å; M71-T121 PolarHBondContact N-O 2.99Å; H119-T121 PolarHBondContact CD2-O 3.2Å; H119-T121 PolarHBondContact CE1-OG1 3.11Å; H119-T121 PolarHBondContact NE2-OG1 3.13Å
122C92.9Very high97.7Very high38 Ų3820.8 Ų20.826%0.25711%0.113SC..  trans-69.90-178.7-73.40000113W11 H45 N72 A74 H119W11-C122 WeakPolarHBondContact CH2-SG 3.18Å; H45-C122 PolarHBondContact CD2-O 3.26Å; H45-C122 PolarHBondContact NE2-O 3.07Å; N72-C122 HydrophobicContact CB-CB 4.34Å; N72-C122 PolarHBondContact ND2-SG 3.1Å; A74-C122 HydrophobicContact CB-CB 4.33Å; A74-C122 VanDerWaalsContact CB-OXT 3.24Å; A74-C122 WeakPolarHBondContact CB-OXT 3.46Å; A74-C122 PolarHBondContact N-OXT 2.6Å; A74-C122 VanDerWaalsContact N-OXT 3.11Å; H119-C122 PolarHBondContact CD2-O 3.3Å; H119-C122 VanDerWaalsContact CD2-O 3.32Å; H119-C122 PolarHBondContact NE2-O 2.98Å

Retrieved 122 of 122 residues in 200.3 ms (Link to these results)

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