A0A087Y811_POEFO Loading...

Mth938 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y811, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 137 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
1M79.7Confident95.2Very high191 Ų19172 Ų7294%0.94139%0.391SS*.  0152.70-65.3-156.1-83.100108.6P30M1-P30 WeakPolarHBondContact O-CB 3.37Å
2T94.3Very high95.2Very high112 Ų11268.2 Ų68.269%0.68738%0.381SS*.PPolyproline II helixtrans-91.8154.5-178.650.20000111.6P30 G31T2-P30 CarbonylContact O-C 3.56Å; T2-G31 PolarHBondContact O-N 2.8Å
3S97.3Very high95.3Very high9 Ų967.2 Ų67.26%0.06337%0.374CS..PPolyproline II helixtrans-70125.2172.2-610000110P30 A127 V129S3-P30 WeakPolarHBondContact OG-CG 3.35Å; S3-A127 PolarHBondContact OG-O 3.46Å; S3-V129 WeakPolarHBondContact CB-O 3.4Å; S3-V129 PolarHBondContact OG-N 2.79Å; S3-V129 PolarHBondContact OG-O 3.33Å
4P97.3Very high95.5Very high22 Ų2262.4 Ų62.414%0.14335%0.348CS..PPolyproline II helixtrans-75.2142-178.731.6-34.9000110.5V16 W29 Y119P4-V16 HydrophobicContact CB-CG1 3.61Å; P4-V16 HydrophobicContact CG-CG1 3.64Å; P4-W29 WeakPolarHBondContact CD-O 3.36Å; P4-Y119 WeakPolarHBondContact O-CE1 3.44Å; P4-Y119 PolarHBondContact O-OH 3.13Å
5E98.3Very high95.6Very high62 Ų6265 Ų6529%0.2935%0.354SS..PPolyproline II helixtrans-69.5144.8174.3-62.3171.8-93.900111.5A7 K17 V124E5-A7 PolarHBondContact O-N 2.9Å; E5-K17 HydrophobicContact CB-CB 4.35Å; E5-K17 HydrophobicContact CB-CD 4.33Å; E5-K17 WeakPolarHBondContact O-CB 3.49Å; E5-K17 PolarHBondContact O-N 3.49Å; E5-K17 WeakPolarHBondContact OE1-CD 3.43Å; E5-K17 IonicContact OE1-NZ 2.8Å; E5-K17 PolarHBondContact OE1-NZ 3.2Å; E5-V124 HydrophobicContact CG-CG2 4.21Å
6I98.1Very high95.8Very high6 Ų661.2 Ų61.23%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-82.8106.6167.2-61.7168000107.2M14 K15 V16 V116 Y119 N120 F133I6-M14 HydrophobicContact CD1-CE 3.97Å; I6-M14 HydrophobicContact CG2-CE 3.76Å; I6-K15 CarbonylContact C-O 3.6Å; I6-V16 HydrophobicContact CG1-CG2 4.46Å; I6-V116 HydrophobicContact CB-CG1 3.97Å; I6-V116 HydrophobicContact CD1-CG1 4.39Å; I6-V116 HydrophobicContact CD1-CG2 3.88Å; I6-V116 HydrophobicContact CG2-CG1 3.86Å; I6-V116 HydrophobicContact CG2-CG2 4.29Å; I6-Y119 HydrophobicContact CD1-CD1 3.7Å; I6-Y119 HydrophobicContact CD1-CE1 4.01Å; I6-Y119 HydrophobicContact CD1-CG 4.35Å; I6-Y119 HydrophobicContact CG1-CD1 3.97Å; I6-Y119 HydrophobicContact CG1-CE1 3.89Å; I6-N120 PolarHBondContact N-OD1 3.21Å; I6-N120 PolarHBondContact O-ND2 3.45Å; I6-F133 HydrophobicContact CD1-CD1 4.3Å; I6-F133 HydrophobicContact CD1-CD2 3.79Å; I6-F133 HydrophobicContact CD1-CE1 4.06Å; I6-F133 HydrophobicContact CD1-CE2 3.55Å; I6-F133 HydrophobicContact CD1-CG 4.18Å; I6-F133 HydrophobicContact CD1-CZ 3.69Å
7A97.1Very high95.8Very high66 Ų6665.1 Ų65.155%0.54535%0.346SS..EExtended strand (participates in β ladder)trans-80.4-25.7-172.600000113.5E5 K15 K17E5-A7 PolarHBondContact O-N 2.9Å; A7-K15 PolarHBondContact N-O 2.8Å; A7-K17 HydrophobicContact CB-CB 4.47Å
8T96.8Very high95.6Very high60 Ų6066.4 Ų66.437%0.36838%0.378SS..EExtended strand (participates in β ladder)trans-146.7137.5-179.7-500000110.2M14 K15T8-M14 WeakPolarHBondContact O-CA 3.48Å; T8-K15 PolarHBondContact N-O 2.62Å; T8-K15 PolarHBondContact O-N 2.84Å
9L97.4Very high95.3Very high47 Ų4765.2 Ų65.225%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-133.5123.4169.8172.368.1000108.4M14 M86 T112 Q113 V116L9-M14 HydrophobicContact CD1-CE 4.1Å; L9-M14 HydrophobicContact CD1-CG 3.81Å; L9-M14 HydrophobicContact CD1-SD 4.06Å; L9-M86 HydrophobicContact CD1-CE 3.64Å; L9-M86 HydrophobicContact CD2-CE 4.06Å; L9-M86 HydrophobicContact CG-CE 3.84Å; L9-T112 HydrophobicContact CD1-CG2 3.85Å; L9-T112 HydrophobicContact CD2-CG2 4.02Å; L9-Q113 HydrophobicContact CD2-CG 4.09Å; L9-V116 HydrophobicContact CD2-CB 4.24Å; L9-V116 HydrophobicContact CD2-CG2 3.97Å
10S95.6Very high94.9Very high53 Ų5368.4 Ų68.437%0.37140%0.4SS..EExtended strand (participates in β ladder)trans-144.617716461.10000109.4G12 L13S10-G12 PolarHBondContact O-N 3.44Å; S10-G12 VanDerWaalsContact O-N 3.11Å; S10-L13 PolarHBondContact N-O 2.86Å; S10-L13 PolarHBondContact O-N 3.03Å; S10-L13 VanDerWaalsContact O-N 3.11Å
11W94.8Very high94.7Very high164 Ų16468.4 Ų68.462%0.62140%0.404SS*.THydrogen-bonded Turntrans-59.6117.1-177.9-172.9-83.3000111.7L13 M86 T136 C137W11-L13 PolarHBondContact O-N 2.76Å; W11-M86 HydrophobicContact CE3-CB 4.45Å; W11-M86 HydrophobicContact CE3-CG 4.07Å; W11-M86 HydrophobicContact CZ3-CB 4.11Å; W11-M86 HydrophobicContact CZ3-CG 4.21Å; W11-T136 HydrophobicContact CD2-CG2 4.16Å; W11-T136 HydrophobicContact CG-CG2 4.28Å; W11-T136 HydrophobicContact CZ2-CG2 4.26Å; W11-C137 WeakPolarHBondContact CH2-SG 3.44Å
12G95.3Very high95.4Very high26 Ų2662.3 Ų62.327%0.26838%0.38SS..THydrogen-bonded Turntrans71.312.7179.700000114.7S10 K24 S135S10-G12 PolarHBondContact O-N 3.44Å; S10-G12 VanDerWaalsContact O-N 3.11Å; G12-K24 WeakPolarHBondContact O-CA 3.21Å; G12-S135 WeakPolarHBondContact CA-OG 3.46Å; G12-S135 PolarHBondContact N-O 2.78Å; G12-S135 PolarHBondContact N-OG 3.02Å
13L96.9Very high95.5Very high56 Ų5658.2 Ų58.229%0.29335%0.352SS..EExtended strand (participates in β ladder)trans-144.9126.7-177.6-175.277.8000112S10 W11 Y23S10-L13 PolarHBondContact N-O 2.86Å; S10-L13 PolarHBondContact O-N 3.03Å; S10-L13 VanDerWaalsContact O-N 3.11Å; W11-L13 PolarHBondContact O-N 2.76Å; L13-Y23 CarbonylContact C-O 3.59Å; L13-Y23 WeakPolarHBondContact CA-O 3.26Å
14M97.9Very high95.4Very high0 Ų063.7 Ų63.70%038%0.375CS..EExtended strand (participates in β ladder)trans-132.2142.6173.2-61-170.46800110.4I6 T8 L9 S22 Y23 V116 F133I6-M14 HydrophobicContact CD1-CE 3.97Å; I6-M14 HydrophobicContact CG2-CE 3.76Å; T8-M14 WeakPolarHBondContact O-CA 3.48Å; L9-M14 HydrophobicContact CD1-CE 4.1Å; L9-M14 HydrophobicContact CD1-CG 3.81Å; L9-M14 HydrophobicContact CD1-SD 4.06Å; M14-S22 WeakPolarHBondContact O-CA 3.31Å; M14-Y23 PolarHBondContact N-O 3.28Å; M14-Y23 PolarHBondContact O-N 3.21Å; M14-V116 HydrophobicContact CE-CG2 3.88Å; M14-F133 HydrophobicContact CE-CB 3.54Å; M14-F133 HydrophobicContact CE-CD1 4.42Å; M14-F133 HydrophobicContact CE-CD2 4.44Å; M14-F133 HydrophobicContact CE-CG 3.9Å; M14-F133 HydrophobicContact SD-CB 3.6Å
15K98Very high95.4Very high101 Ų10163.1 Ų63.144%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-127.7134.6172.1-63.5-174.4177.6-179.10110.1I6 A7 T8I6-K15 CarbonylContact C-O 3.6Å; A7-K15 PolarHBondContact N-O 2.8Å; T8-K15 PolarHBondContact N-O 2.62Å; T8-K15 PolarHBondContact O-N 2.84Å
16V97.7Very high95.4Very high4 Ų460.1 Ų60.12%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-106.8134.3177.7179.60000108.7P4 I6 G18 C19 Y23 V28P4-V16 HydrophobicContact CB-CG1 3.61Å; P4-V16 HydrophobicContact CG-CG1 3.64Å; I6-V16 HydrophobicContact CG1-CG2 4.46Å; V16-G18 PolarHBondContact O-N 3.49Å; V16-C19 HydrophobicContact CB-CB 4.31Å; V16-C19 WeakPolarHBondContact O-CB 3.43Å; V16-C19 PolarHBondContact O-N 3.08Å; V16-Y23 HydrophobicContact CB-CE2 4.36Å; V16-Y23 HydrophobicContact CG2-CD2 4.22Å; V16-Y23 HydrophobicContact CG2-CE2 3.89Å; V16-V28 HydrophobicContact CG1-CG1 4.5Å; V16-V28 HydrophobicContact CG2-CG1 3.75Å
17K96.2Very high95.4Very high127 Ų12759.9 Ų59.955%0.55236%0.355SS*.THydrogen-bonded Turntrans-60.1131.6-179.4-171.6173.7175.5177.70110.1E5 A7 C19E5-K17 HydrophobicContact CB-CB 4.35Å; E5-K17 HydrophobicContact CB-CD 4.33Å; E5-K17 WeakPolarHBondContact O-CB 3.49Å; E5-K17 PolarHBondContact O-N 3.49Å; E5-K17 WeakPolarHBondContact OE1-CD 3.43Å; E5-K17 IonicContact OE1-NZ 2.8Å; E5-K17 PolarHBondContact OE1-NZ 3.2Å; A7-K17 HydrophobicContact CB-CB 4.47Å; K17-C19 VanDerWaalsContact C-N 3.28Å; K17-C19 PolarHBondContact O-N 3.34Å
18G91.8Very high95.4Very high89 Ų8956.8 Ų56.892%0.91833%0.329SS*.THydrogen-bonded Turntrans81.8-0.6-176.300000114.8V16V16-G18 PolarHBondContact O-N 3.49Å
19C91.1Very high95.5Very high44 Ų4455.2 Ų55.230%0.29732%0.317SS..  trans-101.4134169.4-166.60000110.6V16 K17 Y23V16-C19 HydrophobicContact CB-CB 4.31Å; V16-C19 WeakPolarHBondContact O-CB 3.43Å; V16-C19 PolarHBondContact O-N 3.08Å; K17-C19 VanDerWaalsContact C-N 3.28Å; K17-C19 PolarHBondContact O-N 3.34Å; C19-Y23 PolarHBondContact SG-OH 3.01Å
20S87.1Confident95.5Very high129 Ų12953.8 Ų53.890%0.90231%0.31SS*.SBendtrans-77-23.5175.853.50000113
21S90.2Very high95.4Very high68 Ų6853 Ų5348%0.47631%0.311SS..SBendtrans-90.7146.4-178.9-55.30000112
22S94.9Very high95.5Very high64 Ų6446.1 Ų46.145%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-93.1154.8163.2540000110.9M14M14-S22 WeakPolarHBondContact O-CA 3.31Å
23Y96.5Very high95.6Very high26 Ų2646 Ų4610%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-119.3155178.2-50.9-63000110.6L13 M14 V16 C19 D25 C26 S33 A35L13-Y23 CarbonylContact C-O 3.59Å; L13-Y23 WeakPolarHBondContact CA-O 3.26Å; M14-Y23 PolarHBondContact N-O 3.28Å; M14-Y23 PolarHBondContact O-N 3.21Å; V16-Y23 HydrophobicContact CB-CE2 4.36Å; V16-Y23 HydrophobicContact CG2-CD2 4.22Å; V16-Y23 HydrophobicContact CG2-CE2 3.89Å; C19-Y23 PolarHBondContact SG-OH 3.01Å; Y23-D25 WeakPolarHBondContact CB-O 3.37Å; Y23-C26 HydrophobicContact CD2-CB 3.48Å; Y23-C26 VanDerWaalsContact CD2-CB 3.48Å; Y23-C26 HydrophobicContact CE2-CB 4.18Å; Y23-C26 HydrophobicContact CG-CB 3.78Å; Y23-S33 PolarHBondContact OH-O 3.26Å; Y23-S33 PolarHBondContact OH-OG 3.22Å; Y23-A35 HydrophobicContact CD1-CB 3.93Å; Y23-A35 HydrophobicContact CE1-CB 4.38Å
24K95.5Very high95.6Very high124 Ų12447.5 Ų47.554%0.53929%0.287SS..SBendtrans-75.2-63.5159.7179.9-173.2170.4-169.80108.6G12 S135G12-K24 WeakPolarHBondContact O-CA 3.21Å; K24-S135 VanDerWaalsContact O-CB 3.25Å; K24-S135 WeakPolarHBondContact O-CB 3.34Å; K24-S135 PolarHBondContact O-OG 3.38Å
25D96.6Very high95.5Very high9 Ų949.9 Ų49.95%0.04831%0.307CS..SBendtrans-119.1148.1173.8-61.2-25.8000108.2Y23 W36 F133 H134 S135Y23-D25 WeakPolarHBondContact CB-O 3.37Å; D25-W36 HydrophobicContact CB-CB 3.98Å; D25-W36 HydrophobicContact CB-CE3 4.21Å; D25-W36 PolarHBondContact O-N 3Å; D25-F133 WeakPolarHBondContact CA-O 3.18Å; D25-F133 WeakPolarHBondContact CB-O 3.43Å; D25-H134 WeakPolarHBondContact OD1-CA 3.22Å; D25-H134 IonicContact OD1-CE1 3.15Å; D25-H134 IonicContact OD1-CG 2.76Å; D25-H134 IonicContact OD1-ND1 2.89Å; D25-H134 PolarHBondContact OD1-ND1 3.34Å; D25-H134 VanDerWaalsContact OD1-ND1 3.14Å; D25-H134 IonicContact OD2-CE1 2.74Å; D25-H134 PolarHBondContact OD2-CE1 3.11Å; D25-H134 IonicContact OD2-CG 2.62Å; D25-H134 IonicContact OD2-ND1 2.74Å; D25-H134 PolarHBondContact OD2-ND1 3.11Å; D25-S135 PolarHBondContact OD1-N 2.85Å; D25-S135 PolarHBondContact OD1-OG 3.29Å
26C97.2Very high95.4Very high0 Ų045.5 Ų45.50%029%0.288CS..EExtended strand (participates in β ladder)trans-139.1154.7-175.970.50000114.1Y23 R34 V132 F133Y23-C26 HydrophobicContact CD2-CB 3.48Å; Y23-C26 VanDerWaalsContact CD2-CB 3.48Å; Y23-C26 HydrophobicContact CE2-CB 4.18Å; Y23-C26 HydrophobicContact CG-CB 3.78Å; C26-R34 CarbonylContact C-O 3.47Å; C26-R34 VanDerWaalsContact CA-O 3.29Å; C26-R34 WeakPolarHBondContact CA-O 3.26Å; C26-R34 WeakPolarHBondContact CB-O 3.44Å; C26-V132 CarbonylContact O-C 3.53Å; C26-V132 WeakPolarHBondContact O-CA 3.48Å; C26-F133 PolarHBondContact N-O 2.75Å; C26-F133 PolarHBondContact O-N 3.25Å
27K98.3Very high95.1Very high1 Ų147.6 Ų47.60%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-108.9138.6165.8-50.3-174.3-178.4-175.80107.8W29 S33 R34 W36 D68 E71 V72 G131 V132K27-W29 HydrophobicContact CB-CE3 4.31Å; K27-W29 HydrophobicContact CB-CZ3 3.8Å; K27-S33 CarbonylContact O-C 3.6Å; K27-S33 WeakPolarHBondContact O-CA 3.48Å; K27-S33 WeakPolarHBondContact O-CB 3.32Å; K27-R34 HydrophobicContact CB-CG 4.26Å; K27-R34 PolarHBondContact N-O 3.42Å; K27-R34 PolarHBondContact O-N 3.1Å; K27-W36 HydrophobicContact CG-CB 3.76Å; K27-W36 HydrophobicContact CG-CG 4.01Å; K27-D68 VanDerWaalsContact CE-O 3.29Å; K27-D68 WeakPolarHBondContact CE-O 3.38Å; K27-D68 PolarHBondContact NZ-O 2.99Å; K27-E71 HydrophobicContact CD-CG 3.87Å; K27-E71 VanDerWaalsContact CD-OE1 3.22Å; K27-E71 WeakPolarHBondContact CD-OE1 3.33Å; K27-E71 VanDerWaalsContact NZ-CD 3.3Å; K27-E71 IonicContact NZ-OE1 3.97Å; K27-E71 IonicContact NZ-OE2 3.11Å; K27-E71 PolarHBondContact NZ-OE2 3.48Å; K27-V72 HydrophobicContact CB-CG2 4.02Å; K27-V72 HydrophobicContact CD-CG2 4.3Å; K27-G131 CarbonylContact C-O 3.59Å; K27-G131 WeakPolarHBondContact CA-O 3.32Å; K27-V132 HydrophobicContact CB-CG1 4.29Å; K27-V132 HydrophobicContact CD-CG1 4.36Å; K27-V132 HydrophobicContact CG-CG1 3.87Å
28V98Very high94.6Very high0 Ų042.9 Ų42.90%028%0.278CS..EExtended strand (participates in β ladder)trans-137.1145.6-178.3-61.20000110.4V16 V72 Y119 G130 G131 F133V16-V28 HydrophobicContact CG1-CG1 4.5Å; V16-V28 HydrophobicContact CG2-CG1 3.75Å; V28-V72 WeakPolarHBondContact O-CG1 2.95Å; V28-Y119 HydrophobicContact CB-CE2 4.44Å; V28-Y119 HydrophobicContact CG2-CD2 4.13Å; V28-Y119 HydrophobicContact CG2-CE1 4.07Å; V28-Y119 HydrophobicContact CG2-CE2 3.4Å; V28-Y119 VanDerWaalsContact CG2-CE2 3.4Å; V28-Y119 WeakPolarHBondContact CG2-OH 3.5Å; V28-G130 CarbonylContact O-C 3.58Å; V28-G130 WeakPolarHBondContact O-CA 3.29Å; V28-G131 PolarHBondContact N-O 3.33Å; V28-G131 PolarHBondContact O-N 3.44Å; V28-F133 HydrophobicContact CG2-CD2 4.22Å; V28-F133 HydrophobicContact CG2-CE2 3.56Å
29W98Very high94.3Very high28 Ų2847 Ų4711%0.10627%0.266CS..EExtended strand (participates in β ladder)trans-156.9169.3-178.455.281.6000110.9P4 K27 G31 G32 R34 E71 V72 K75P4-W29 WeakPolarHBondContact CD-O 3.36Å; K27-W29 HydrophobicContact CB-CE3 4.31Å; K27-W29 HydrophobicContact CB-CZ3 3.8Å; W29-G31 PolarHBondContact O-N 3.43Å; W29-G32 PolarHBondContact N-O 3.23Å; W29-G32 PolarHBondContact O-N 2.96Å; W29-R34 HydrophobicContact CH2-CB 3.9Å; W29-R34 HydrophobicContact CH2-CG 3.58Å; W29-R34 HydrophobicContact CZ3-CG 3.87Å; W29-E71 WeakPolarHBondContact CZ3-OE1 3.31Å; W29-V72 HydrophobicContact CB-CG1 4.11Å; W29-V72 HydrophobicContact CE3-CG2 4.18Å; W29-K75 HydrophobicContact CB-CB 3.82Å; W29-K75 HydrophobicContact CB-CG 3.95Å; W29-K75 HydrophobicContact CD2-CG 3.98Å; W29-K75 HydrophobicContact CG-CB 3.9Å; W29-K75 HydrophobicContact CG-CD 4.2Å; W29-K75 HydrophobicContact CG-CG 3.54Å
30P97.3Very high94Very high16 Ų1650.1 Ų50.110%0.10428%0.276CS..THydrogen-bonded Turntrans-51110.6173-28.134.7000112.8M1 T2 S3 I77 K128M1-P30 WeakPolarHBondContact O-CB 3.37Å; T2-P30 CarbonylContact O-C 3.56Å; S3-P30 WeakPolarHBondContact OG-CG 3.35Å; P30-I77 VanDerWaalsContact CD-CG2 3.43Å; P30-I77 HydrophobicContact CG-CG2 4.06Å; P30-K128 HydrophobicContact CG-CB 4.29Å
31G95.1Very high93.7Very high37 Ų3745.7 Ų45.738%0.38124%0.244SC..THydrogen-bonded Turntrans89.18.5179.400000116.6T2 W29T2-G31 PolarHBondContact O-N 2.8Å; W29-G31 PolarHBondContact O-N 3.43Å
32G95.7Very high93Very high19 Ų1943.1 Ų43.120%0.19623%0.228CC..EExtended strand (participates in β ladder)trans178.6-177.8171.700000117W29W29-G32 PolarHBondContact N-O 3.23Å; W29-G32 PolarHBondContact O-N 2.96Å
33S97.4Very high91.9Very high25 Ų2540.1 Ų40.118%0.17521%0.207CC..EExtended strand (participates in β ladder)trans-150.5158.9177.259.10000110.7Y23 K27Y23-S33 PolarHBondContact OH-O 3.26Å; Y23-S33 PolarHBondContact OH-OG 3.22Å; K27-S33 CarbonylContact O-C 3.6Å; K27-S33 WeakPolarHBondContact O-CA 3.48Å; K27-S33 WeakPolarHBondContact O-CB 3.32Å
34R96.6Very high90.5Very high86 Ų8642 Ų4233%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-148.8169.3167.476.3177.8-130.1-158.311.8112.2C26 K27 W29 E40 E71C26-R34 CarbonylContact C-O 3.47Å; C26-R34 VanDerWaalsContact CA-O 3.29Å; C26-R34 WeakPolarHBondContact CA-O 3.26Å; C26-R34 WeakPolarHBondContact CB-O 3.44Å; K27-R34 HydrophobicContact CB-CG 4.26Å; K27-R34 PolarHBondContact N-O 3.42Å; K27-R34 PolarHBondContact O-N 3.1Å; W29-R34 HydrophobicContact CH2-CB 3.9Å; W29-R34 HydrophobicContact CH2-CG 3.58Å; W29-R34 HydrophobicContact CZ3-CG 3.87Å; R34-E40 IonicContact CZ-OE2 3.69Å; R34-E40 IonicContact NH2-OE1 3.91Å; R34-E40 PolarHBondContact NH2-OE1 3.07Å; R34-E40 IonicContact NH2-OE2 3.25Å; R34-E40 PolarHBondContact NH2-OE2 3.24Å; R34-E71 WeakPolarHBondContact CD-OE1 3.47Å; R34-E71 VanDerWaalsContact CZ-CD 3.4Å; R34-E71 IonicContact CZ-OE1 3.95Å; R34-E71 IonicContact CZ-OE2 2.65Å; R34-E71 IonicContact NE-OE1 2.67Å; R34-E71 PolarHBondContact NE-OE1 3.35Å; R34-E71 VanDerWaalsContact NE-OE1 3.11Å; R34-E71 IonicContact NE-OE2 3.46Å; R34-E71 IonicContact NH1-OE1 3.34Å; R34-E71 PolarHBondContact NH1-OE1 2.83Å; R34-E71 IonicContact NH1-OE2 3.82Å; R34-E71 PolarHBondContact NH1-OE2 2.7Å; R34-E71 IonicContact NH2-OE2 2.95Å; R34-E71 PolarHBondContact NH2-OE2 2.92Å; R34-E71 VanDerWaalsContact NH2-OE2 3.15Å
35A96.8Very high88.7Confident51 Ų5140.5 Ų40.542%0.42122%0.215SC..EExtended strand (participates in β ladder)trans-63.4138.8170.600000110.8Y23Y23-A35 HydrophobicContact CD1-CB 3.93Å; Y23-A35 HydrophobicContact CE1-CB 4.38Å
36W95.3Very high86.3Confident9 Ų944 Ų443%0.03423%0.233CC..  trans-96.2106168.4-174.713.6000108.9D25 K27 W38 V64 D68 L90 V132 H134D25-W36 HydrophobicContact CB-CB 3.98Å; D25-W36 HydrophobicContact CB-CE3 4.21Å; D25-W36 PolarHBondContact O-N 3Å; K27-W36 HydrophobicContact CG-CB 3.76Å; K27-W36 HydrophobicContact CG-CG 4.01Å; W36-W38 AromaticContact CD1-CD1 3.83Å; W36-W38 AromaticContact CD2-CD1 3.83Å; W36-W38 AromaticContact CD2-NE1 3.54Å; W36-W38 AromaticContact CE2-CD1 3.59Å; W36-W38 AromaticContact CE2-NE1 3.51Å; W36-W38 AromaticContact CE3-NE1 3.73Å; W36-W38 AromaticContact CH2-NE1 3.94Å; W36-W38 AromaticContact CZ2-NE1 3.73Å; W36-W38 AromaticContact CZ3-NE1 3.93Å; W36-W38 AromaticContact NE1-CD1 3.59Å; W36-V64 HydrophobicContact CH2-CG1 4.45Å; W36-V64 HydrophobicContact CH2-CG2 3.79Å; W36-V64 HydrophobicContact CZ2-CG1 4.24Å; W36-V64 HydrophobicContact CZ2-CG2 4.17Å; W36-D68 HydrophobicContact CZ2-CB 4.1Å; W36-D68 VanDerWaalsContact NE1-CG 3.3Å; W36-D68 PolarHBondContact NE1-OD1 2.81Å; W36-L90 HydrophobicContact CH2-CD2 3.74Å; W36-L90 HydrophobicContact CZ3-CD2 4.2Å; W36-V132 HydrophobicContact CD2-CB 4.25Å; W36-V132 HydrophobicContact CE3-CB 3.92Å; W36-V132 HydrophobicContact CE3-CG2 4.42Å; W36-V132 HydrophobicContact CH2-CB 4.23Å; W36-V132 HydrophobicContact CH2-CG2 3.85Å; W36-V132 HydrophobicContact CZ2-CG2 4.34Å; W36-V132 HydrophobicContact CZ3-CB 3.92Å; W36-V132 HydrophobicContact CZ3-CG2 3.91Å; W36-H134 HydrophobicContact CZ3-CB 4.2Å
37D91.6Very high83.7Confident47 Ų4751.1 Ų51.125%0.25127%0.265SS..  trans-104.9112.7175.6-170.3-14.5000109.5R39 E40D37-R39 PolarHBondContact O-N 2.62Å; D37-R39 WeakPolarHBondContact OD1-CB 3.38Å; D37-R39 WeakPolarHBondContact OD1-CG 3.35Å; D37-R39 IonicContact OD1-CZ 3.94Å; D37-R39 PolarHBondContact OD1-N 3.3Å; D37-R39 VanDerWaalsContact OD1-N 3.15Å; D37-R39 IonicContact OD1-NE 3.14Å; D37-R39 PolarHBondContact OD1-NE 2.77Å; D37-R39 IonicContact OD1-NH2 2.79Å; D37-R39 IonicContact OD2-CZ 3.66Å; D37-R39 IonicContact OD2-NE 3.46Å; D37-R39 PolarHBondContact OD2-NE 3.1Å; D37-R39 IonicContact OD2-NH2 2.86Å; D37-R39 PolarHBondContact OD2-NH2 2.88Å; D37-E40 HydrophobicContact CB-CG 4.08Å; D37-E40 WeakPolarHBondContact O-CB 3.45Å; D37-E40 PolarHBondContact O-N 2.87Å; D37-E40 VanDerWaalsContact O-N 3.16Å
38W86.1Confident81Confident28 Ų2856.7 Ų56.711%0.10630%0.303CS..G310 helixtrans-64.6-22.5-175.4-64.85.5000112.9W36 E40 T41 G42 T43 D44 Q59 L90 H134W36-W38 AromaticContact CD1-CD1 3.83Å; W36-W38 AromaticContact CD2-CD1 3.83Å; W36-W38 AromaticContact CD2-NE1 3.54Å; W36-W38 AromaticContact CE2-CD1 3.59Å; W36-W38 AromaticContact CE2-NE1 3.51Å; W36-W38 AromaticContact CE3-NE1 3.73Å; W36-W38 AromaticContact CH2-NE1 3.94Å; W36-W38 AromaticContact CZ2-NE1 3.73Å; W36-W38 AromaticContact CZ3-NE1 3.93Å; W36-W38 AromaticContact NE1-CD1 3.59Å; W38-E40 PolarHBondContact O-N 2.88Å; W38-T41 PolarHBondContact O-N 3.48Å; W38-T41 PolarHBondContact O-OG1 3.28Å; W38-G42 PolarHBondContact O-N 3.05Å; W38-T43 HydrophobicContact CB-CG2 4.39Å; W38-T43 HydrophobicContact CD2-CG2 3.93Å; W38-T43 HydrophobicContact CE3-CG2 4.13Å; W38-T43 HydrophobicContact CG-CG2 4.04Å; W38-T43 PolarHBondContact O-N 3.4Å; W38-T43 VanDerWaalsContact O-N 3.13Å; W38-D44 HydrophobicContact CB-CB 4.13Å; W38-D44 HydrophobicContact CE3-CB 4.18Å; W38-Q59 WeakPolarHBondContact CZ3-O 3.4Å; W38-L90 HydrophobicContact CH2-CD1 3.78Å; W38-L90 HydrophobicContact CH2-CD2 4.16Å; W38-L90 HydrophobicContact CH2-CG 4.41Å; W38-L90 HydrophobicContact CZ2-CD1 4.07Å; W38-L90 HydrophobicContact CZ2-CD2 3.75Å; W38-L90 HydrophobicContact CZ2-CG 4.45Å; W38-L90 HydrophobicContact CZ3-CD1 4.26Å; W38-H134 AromaticContact CH2-CE1 3.5Å; W38-H134 AromaticContact CH2-CG 3.99Å; W38-H134 AromaticContact CH2-ND1 3.7Å; W38-H134 AromaticContact CH2-NE2 3.8Å; W38-H134 HydrophobicContact CZ2-CB 4.07Å; W38-H134 AromaticContact CZ2-CE1 3.48Å; W38-H134 VanDerWaalsContact CZ2-CE1 3.48Å; W38-H134 WeakPolarHBondContact CZ2-CE1 3.46Å; W38-H134 AromaticContact CZ2-CG 3.52Å; W38-H134 AromaticContact CZ2-ND1 3.18Å; W38-H134 WeakPolarHBondContact CZ2-ND1 3.15Å
39R84.8Confident78.4Confident177 Ų17761.5 Ų61.567%0.66833%0.333SS*.G310 helixtrans-68-21.3178.6-60.3173.6-67.4176.22.5112.5D37 T41 D44D37-R39 PolarHBondContact O-N 2.62Å; D37-R39 WeakPolarHBondContact OD1-CB 3.38Å; D37-R39 WeakPolarHBondContact OD1-CG 3.35Å; D37-R39 IonicContact OD1-CZ 3.94Å; D37-R39 PolarHBondContact OD1-N 3.3Å; D37-R39 VanDerWaalsContact OD1-N 3.15Å; D37-R39 IonicContact OD1-NE 3.14Å; D37-R39 PolarHBondContact OD1-NE 2.77Å; D37-R39 IonicContact OD1-NH2 2.79Å; D37-R39 IonicContact OD2-CZ 3.66Å; D37-R39 IonicContact OD2-NE 3.46Å; D37-R39 PolarHBondContact OD2-NE 3.1Å; D37-R39 IonicContact OD2-NH2 2.86Å; D37-R39 PolarHBondContact OD2-NH2 2.88Å; R39-T41 PolarHBondContact O-N 2.85Å; R39-D44 WeakPolarHBondContact CG-OD2 3.47Å
40E85.2Confident75.9Confident108 Ų10865.5 Ų65.551%0.50536%0.362SS..G310 helixtrans-68.3-27.1176.6-65.5178.2169.200112.1R34 D37 W38R34-E40 IonicContact CZ-OE2 3.69Å; R34-E40 IonicContact NH2-OE1 3.91Å; R34-E40 PolarHBondContact NH2-OE1 3.07Å; R34-E40 IonicContact NH2-OE2 3.25Å; R34-E40 PolarHBondContact NH2-OE2 3.24Å; D37-E40 HydrophobicContact CB-CG 4.08Å; D37-E40 WeakPolarHBondContact O-CB 3.45Å; D37-E40 PolarHBondContact O-N 2.87Å; D37-E40 VanDerWaalsContact O-N 3.16Å; W38-E40 PolarHBondContact O-N 2.88Å
41T81.6Confident73.3Confident37 Ų3771.8 Ų71.823%0.22739%0.394CS..THydrogen-bonded Turntrans-124.6-6.8-170.2540000113.2W38 R39 T43 A67 D68W38-T41 PolarHBondContact O-N 3.48Å; W38-T41 PolarHBondContact O-OG1 3.28Å; R39-T41 PolarHBondContact O-N 2.85Å; T41-T43 VanDerWaalsContact C-N 3.35Å; T41-T43 PolarHBondContact OG1-OG1 3.37Å; T41-A67 HydrophobicContact CG2-CB 3.72Å; T41-D68 WeakPolarHBondContact CB-OD1 3.29Å; T41-D68 WeakPolarHBondContact CG2-OD1 3.21Å; T41-D68 PolarHBondContact OG1-OD1 2.88Å
42G74.3Confident70.9Confident14 Ų1480.4 Ų80.414%0.14442%0.415CS..THydrogen-bonded Turntrans7327.3-178.500000113.2W38 D44 I45W38-G42 PolarHBondContact O-N 3.05Å; G42-D44 PolarHBondContact O-N 3.49Å; G42-I45 PolarHBondContact O-N 2.93Å; G42-I45 VanDerWaalsContact O-N 3.13Å
43T73.1Confident68.3Low0 Ų087.9 Ų87.90%045%0.451CS..THydrogen-bonded Turntrans-67.6-23.1176.4-68.40000112.2W38 T41 Q65 D68 L90W38-T43 HydrophobicContact CB-CG2 4.39Å; W38-T43 HydrophobicContact CD2-CG2 3.93Å; W38-T43 HydrophobicContact CE3-CG2 4.13Å; W38-T43 HydrophobicContact CG-CG2 4.04Å; W38-T43 PolarHBondContact O-N 3.4Å; W38-T43 VanDerWaalsContact O-N 3.13Å; T41-T43 VanDerWaalsContact C-N 3.35Å; T41-T43 PolarHBondContact OG1-OG1 3.37Å; T43-Q65 WeakPolarHBondContact OG1-CG 3.36Å; T43-D68 PolarHBondContact OG1-OD2 3.03Å; T43-L90 HydrophobicContact CG2-CD1 4.23Å
44D67Low65.8Low65 Ų6592.2 Ų92.235%0.34848%0.476SS..THydrogen-bonded Turntrans-91.5-10.517264.5-33.2000114W38 R39 G42 L46W38-D44 HydrophobicContact CB-CB 4.13Å; W38-D44 HydrophobicContact CE3-CB 4.18Å; R39-D44 WeakPolarHBondContact CG-OD2 3.47Å; G42-D44 PolarHBondContact O-N 3.49Å; D44-L46 PolarHBondContact O-N 3.02Å
45I56.1Low63.1Low93 Ų9397.5 Ų97.548%0.47751%0.507SS..  trans-86.3111.4-175.1-60.4178.3000109.2G42 K47 P62G42-I45 PolarHBondContact O-N 2.93Å; G42-I45 VanDerWaalsContact O-N 3.13Å; I45-K47 PolarHBondContact O-N 3.5Å; I45-P62 VanDerWaalsContact O-CD 3.28Å; I45-P62 WeakPolarHBondContact O-CD 3.39Å
46L47.4Very low60.6Low82 Ų8299.9 Ų99.943%0.42952%0.516SS..  trans-53.7104.5154.5-79176.9000108.3D44 S48 S58D44-L46 PolarHBondContact O-N 3.02Å; L46-S48 PolarHBondContact O-N 2.76Å; L46-S58 VanDerWaalsContact CD1-OG 3.28Å; L46-S58 WeakPolarHBondContact CD1-OG 3.37Å
47K42.9Very low58.1Low151 Ų151103.8 Ų103.866%0.65755%0.545SS*.  trans-61.7112.4154.3-69.5-172.1-179.8177.60104.9I45 V49I45-K47 PolarHBondContact O-N 3.5Å; K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 WeakPolarHBondContact O-CG2 3.4Å; K47-V49 PolarHBondContact O-N 3.01Å
48S40.5Very low56.2Low117 Ų117104 Ų10482%0.81855%0.55SS*.  trans-60.186.6170.360000107.7L46 P50L46-S48 PolarHBondContact O-N 2.76Å; S48-P50 WeakPolarHBondContact O-CD 3.3Å
49V42.8Very low54.6Low102 Ų102109.3 Ų109.362%0.61858%0.576SS**  trans-79.2118.9170.4-174.10000105.8K47 L51K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 WeakPolarHBondContact O-CG2 3.4Å; K47-V49 PolarHBondContact O-N 3.01Å; V49-L51 PolarHBondContact O-N 3.22Å
50P45.6Very low53.2Low112 Ų112102.5 Ų102.573%0.72755%0.551SS**  trans-72105.3169.628.6-26.5000106.1S48S48-P50 WeakPolarHBondContact O-CD 3.3Å
51L43.8Very low51.9Low148 Ų148103.4 Ų103.478%0.77555%0.551SS**  trans166.8126.3140.1-88.3151.6000112.7V49V49-L51 PolarHBondContact O-N 3.22Å
52R44.3Very low51.4Low217 Ų217102.8 Ų102.882%0.81955%0.547SS*.  trans76.396.7157.4-62.4178.1179.5-179.9-0.4117.7V54R52-V54 VanDerWaalsContact C-N 3.3Å; R52-V54 PolarHBondContact O-N 3.25Å
53N41.4Very low51.9Low176 Ų176102.1 Ų102.194%0.94154%0.541SS*.  trans15.856.5139-67.3-2.7000118.5
54V44.3Very low52.8Low116 Ų116102.1 Ų102.170%0.70354%0.541SS*.  trans-133.4105.5158.9-171.20000106.7R52 V56R52-V54 VanDerWaalsContact C-N 3.3Å; R52-V54 PolarHBondContact O-N 3.25Å; V54-V56 VanDerWaalsContact C-N 3.26Å; V54-V56 HydrophobicContact CB-CG2 4.41Å; V54-V56 HydrophobicContact CG1-CG2 3.6Å; V54-V56 PolarHBondContact O-N 3.01Å
55M40.6Very low54Low198 Ų198101 Ų10198%0.97553%0.533SS*.  trans-77.181.6174.4-153.3-174.3-71.500107.4
56V44.3Very low55.8Low101 Ų10198.3 Ų98.361%0.61252%0.522SS*.  trans-83.7131.6168.6-175.20000107.3V54 S58V54-V56 VanDerWaalsContact C-N 3.26Å; V54-V56 HydrophobicContact CB-CG2 4.41Å; V54-V56 HydrophobicContact CG1-CG2 3.6Å; V54-V56 PolarHBondContact O-N 3.01Å; V56-S58 PolarHBondContact O-N 2.98Å
57S43.4Very low57.9Low91 Ų9196.6 Ų96.664%0.63652%0.52SS*.  trans-47.4116.7175.1-177.80000110.7Q59S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 3.3Å
58S50.7Low60.4Low52 Ų5289.4 Ų89.436%0.36449%0.489SS..G310 helixtrans-75.3-7.9-157.8-58.70000116.9L46 V56L46-S58 VanDerWaalsContact CD1-OG 3.28Å; L46-S58 WeakPolarHBondContact CD1-OG 3.37Å; V56-S58 PolarHBondContact O-N 2.98Å
59Q52.5Low63Low139 Ų13983.9 Ų83.965%0.6545%0.45SS*.G310 helixtrans-90.61.8-168.1-68.4-179.3-0.600114.1W38 S57W38-Q59 WeakPolarHBondContact CZ3-O 3.4Å; S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 3.3Å
60H54.9Low65.5Low33 Ų3382.4 Ų82.415%0.15344%0.436CS..G310 helixtrans-128.110.4-174.3-6296.8000113.8G63 A89 L90 C137H60-G63 PolarHBondContact O-N 2.92Å; H60-A89 VanDerWaalsContact CB-O 3.29Å; H60-A89 WeakPolarHBondContact CB-O 3.36Å; H60-L90 PolarHBondContact CD2-N 3.04Å; H60-C137 PolarHBondContact CD2-O 2.99Å; H60-C137 PolarHBondContact NE2-O 3.38Å
61Y57.7Low67.9Low128 Ų12878.8 Ų78.850%0.50241%0.409SS..SBendtrans-128.5129.7179.3-171.5-91.7000108.7
62P70.8Confident70.4Confident23 Ų2371.7 Ų71.715%0.14937%0.373CS..SBendcis-80.7-5.618.731.7-37.1000115.8I45 P93I45-P62 VanDerWaalsContact O-CD 3.28Å; I45-P62 WeakPolarHBondContact O-CD 3.39Å; P62-P93 WeakPolarHBondContact O-CG 3.39Å
63G86.2Confident72.9Confident0 Ų062.3 Ų62.30%034%0.338CS..  trans88.2-172.7-174.600000112.4H60 Q65 Q91H60-G63 PolarHBondContact O-N 2.92Å; G63-Q65 PolarHBondContact O-N 3.46Å; G63-Q65 PolarHBondContact O-NE2 2.95Å; G63-Q91 CarbonylContact C-O 3.49Å; G63-Q91 WeakPolarHBondContact CA-O 3.43Å
64V90.9Very high75.5Confident0 Ų061.3 Ų61.30%033%0.325CS..SBendtrans-55.6124.1-174.1-175.90000111.6W36 D68 L69 I82 L90 Q91 V92 P93 T96W36-V64 HydrophobicContact CH2-CG1 4.45Å; W36-V64 HydrophobicContact CH2-CG2 3.79Å; W36-V64 HydrophobicContact CZ2-CG1 4.24Å; W36-V64 HydrophobicContact CZ2-CG2 4.17Å; V64-D68 HydrophobicContact CG1-CB 4.06Å; V64-L69 HydrophobicContact CG1-CD1 4.27Å; V64-L69 HydrophobicContact CG1-CD2 3.84Å; V64-L69 HydrophobicContact CG1-CG 4.09Å; V64-I82 HydrophobicContact CG2-CG2 4.3Å; V64-L90 HydrophobicContact CG2-CD1 4.38Å; V64-L90 HydrophobicContact CG2-CD2 3.75Å; V64-L90 HydrophobicContact CG2-CG 3.99Å; V64-Q91 PolarHBondContact N-O 3.07Å; V64-V92 HydrophobicContact CB-CG1 4.47Å; V64-V92 HydrophobicContact CB-CG2 4.5Å; V64-V92 HydrophobicContact CG2-CG2 4Å; V64-P93 WeakPolarHBondContact O-CD 3.45Å; V64-T96 HydrophobicContact CG1-CG2 4.34Å; V64-T96 WeakPolarHBondContact O-CB 3.32Å; V64-T96 WeakPolarHBondContact O-CG2 3.43Å; V64-T96 PolarHBondContact O-OG1 2.88Å
65Q93Very high78.1Confident42 Ų4261.1 Ų61.120%0.19632%0.315CS..  trans-92.4152.9-178.7-63.4-56.7-72.500111.4T43 G63 A67 D68T43-Q65 WeakPolarHBondContact OG1-CG 3.36Å; G63-Q65 PolarHBondContact O-N 3.46Å; G63-Q65 PolarHBondContact O-NE2 2.95Å; Q65-A67 PolarHBondContact O-N 3.37Å; Q65-A67 VanDerWaalsContact O-N 3.16Å; Q65-D68 PolarHBondContact N-OD2 3.37Å; Q65-D68 VanDerWaalsContact O-CB 3.28Å; Q65-D68 WeakPolarHBondContact O-CB 3.48Å; Q65-D68 PolarHBondContact O-N 3.17Å
66P93.1Very high80.7Confident36 Ų3653.9 Ų53.923%0.23429%0.291CS..Hα-helixtrans-50.4-39.2170.8-29.637.4000113.1D68 L69 E70 F99P66-D68 PolarHBondContact O-N 2.95Å; P66-L69 PolarHBondContact O-N 2.88Å; P66-E70 PolarHBondContact O-N 2.82Å; P66-F99 HydrophobicContact CB-CD1 3.68Å; P66-F99 HydrophobicContact CB-CD2 4.44Å; P66-F99 HydrophobicContact CB-CE1 3.88Å; P66-F99 HydrophobicContact CB-CG 3.96Å; P66-F99 HydrophobicContact CB-CZ 4.36Å; P66-F99 HydrophobicContact CG-CB 4.46Å; P66-F99 HydrophobicContact CG-CD1 4.45Å; P66-F99 HydrophobicContact CG-CG 4.39Å
67A93.3Very high83.2Confident47 Ų4749.5 Ų49.539%0.38826%0.264SS..Hα-helixtrans-61.6-27.3177.700000113.6T41 Q65 L69T41-A67 HydrophobicContact CG2-CB 3.72Å; Q65-A67 PolarHBondContact O-N 3.37Å; Q65-A67 VanDerWaalsContact O-N 3.16Å; A67-L69 PolarHBondContact O-N 3.05Å
68D93.4Very high85.8Confident0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-64.5-33173.7-68.8-50000111.5K27 W36 T41 T43 V64 Q65 P66K27-D68 VanDerWaalsContact CE-O 3.29Å; K27-D68 WeakPolarHBondContact CE-O 3.38Å; K27-D68 PolarHBondContact NZ-O 2.99Å; W36-D68 HydrophobicContact CZ2-CB 4.1Å; W36-D68 VanDerWaalsContact NE1-CG 3.3Å; W36-D68 PolarHBondContact NE1-OD1 2.81Å; T41-D68 WeakPolarHBondContact CB-OD1 3.29Å; T41-D68 WeakPolarHBondContact CG2-OD1 3.21Å; T41-D68 PolarHBondContact OG1-OD1 2.88Å; T43-D68 PolarHBondContact OG1-OD2 3.03Å; V64-D68 HydrophobicContact CG1-CB 4.06Å; Q65-D68 PolarHBondContact N-OD2 3.37Å; Q65-D68 VanDerWaalsContact O-CB 3.28Å; Q65-D68 WeakPolarHBondContact O-CB 3.48Å; Q65-D68 PolarHBondContact O-N 3.17Å; P66-D68 PolarHBondContact O-N 2.95Å
69L96.1Very high88.1Confident0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-97.5-28.2-168.3-51.2-178000112.5V64 P66 A67 E71 V72 M73 L80 I82 T96 V100 V132V64-L69 HydrophobicContact CG1-CD1 4.27Å; V64-L69 HydrophobicContact CG1-CD2 3.84Å; V64-L69 HydrophobicContact CG1-CG 4.09Å; P66-L69 PolarHBondContact O-N 2.88Å; A67-L69 PolarHBondContact O-N 3.05Å; L69-E71 VanDerWaalsContact C-N 3.27Å; L69-E71 PolarHBondContact O-N 2.96Å; L69-V72 WeakPolarHBondContact O-CB 3.4Å; L69-V72 PolarHBondContact O-N 3Å; L69-M73 HydrophobicContact CB-SD 3.85Å; L69-M73 VanDerWaalsContact O-CG 3.29Å; L69-M73 WeakPolarHBondContact O-CG 3.18Å; L69-M73 PolarHBondContact O-N 2.97Å; L69-L80 HydrophobicContact CB-CD2 4.31Å; L69-L80 HydrophobicContact CD1-CD2 3.79Å; L69-L80 HydrophobicContact CD2-CD2 4.02Å; L69-L80 HydrophobicContact CG-CD2 4.25Å; L69-I82 HydrophobicContact CD1-CD1 4.09Å; L69-I82 HydrophobicContact CD2-CD1 4.42Å; L69-T96 HydrophobicContact CD1-CG2 3.41Å; L69-T96 VanDerWaalsContact CD1-CG2 3.41Å; L69-T96 HydrophobicContact CG-CG2 4.38Å; L69-V100 HydrophobicContact CD1-CG2 3.53Å; L69-V132 HydrophobicContact CD2-CB 4.39Å; L69-V132 HydrophobicContact CD2-CG1 3.77Å; L69-V132 HydrophobicContact CD2-CG2 3.64Å
70E95.3Very high90.3Very high72 Ų7242 Ų4234%0.33621%0.214SC..Hα-helixtrans-50.1-44.8-176.3-87-169.1-149.100113.5P66 V72 M73 K74 F99P66-E70 PolarHBondContact O-N 2.82Å; E70-V72 VanDerWaalsContact C-N 3.26Å; E70-V72 PolarHBondContact O-N 3.39Å; E70-M73 PolarHBondContact O-N 2.85Å; E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 WeakPolarHBondContact O-CG 3.44Å; E70-K74 PolarHBondContact O-N 2.91Å; E70-K74 IonicContact OE2-NZ 3.26Å; E70-K74 PolarHBondContact OE2-NZ 2.92Å; E70-F99 HydrophobicContact CG-CE1 4.01Å; E70-F99 HydrophobicContact CG-CZ 3.85Å
71E95.3Very high92.3Very high35 Ų3540.5 Ų40.516%0.16421%0.206CC..Hα-helixtrans-64.4-34.2-178.770.4177.7-107.400112.5K27 W29 R34 L69 K75K27-E71 HydrophobicContact CD-CG 3.87Å; K27-E71 VanDerWaalsContact CD-OE1 3.22Å; K27-E71 WeakPolarHBondContact CD-OE1 3.33Å; K27-E71 VanDerWaalsContact NZ-CD 3.3Å; K27-E71 IonicContact NZ-OE1 3.97Å; K27-E71 IonicContact NZ-OE2 3.11Å; K27-E71 PolarHBondContact NZ-OE2 3.48Å; W29-E71 WeakPolarHBondContact CZ3-OE1 3.31Å; R34-E71 WeakPolarHBondContact CD-OE1 3.47Å; R34-E71 VanDerWaalsContact CZ-CD 3.4Å; R34-E71 IonicContact CZ-OE1 3.95Å; R34-E71 IonicContact CZ-OE2 2.65Å; R34-E71 IonicContact NE-OE1 2.67Å; R34-E71 PolarHBondContact NE-OE1 3.35Å; R34-E71 VanDerWaalsContact NE-OE1 3.11Å; R34-E71 IonicContact NE-OE2 3.46Å; R34-E71 IonicContact NH1-OE1 3.34Å; R34-E71 PolarHBondContact NH1-OE1 2.83Å; R34-E71 IonicContact NH1-OE2 3.82Å; R34-E71 PolarHBondContact NH1-OE2 2.7Å; R34-E71 IonicContact NH2-OE2 2.95Å; R34-E71 PolarHBondContact NH2-OE2 2.92Å; R34-E71 VanDerWaalsContact NH2-OE2 3.15Å; L69-E71 VanDerWaalsContact C-N 3.27Å; L69-E71 PolarHBondContact O-N 2.96Å; E71-K75 VanDerWaalsContact O-CG 3.31Å; E71-K75 WeakPolarHBondContact O-CG 3.36Å
72V97.3Very high94.3Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-75.9-42.7-178.9-172.20000108.4K27 V28 W29 L69 E70 K74 K75 I77 L80 V132K27-V72 HydrophobicContact CB-CG2 4.02Å; K27-V72 HydrophobicContact CD-CG2 4.3Å; V28-V72 WeakPolarHBondContact O-CG1 2.95Å; W29-V72 HydrophobicContact CB-CG1 4.11Å; W29-V72 HydrophobicContact CE3-CG2 4.18Å; L69-V72 WeakPolarHBondContact O-CB 3.4Å; L69-V72 PolarHBondContact O-N 3Å; E70-V72 VanDerWaalsContact C-N 3.26Å; E70-V72 PolarHBondContact O-N 3.39Å; V72-K74 PolarHBondContact O-N 2.88Å; V72-K75 WeakPolarHBondContact O-CB 3.48Å; V72-K75 PolarHBondContact O-N 2.81Å; V72-K75 VanDerWaalsContact O-N 3.1Å; V72-I77 HydrophobicContact CG1-CD1 4Å; V72-L80 HydrophobicContact CB-CD1 4.44Å; V72-L80 HydrophobicContact CG1-CD1 4.01Å; V72-V132 HydrophobicContact CG2-CG1 4.12Å
73M96.9Very high95.6Very high20 Ų2033.3 Ų33.310%0.09918%0.175CC..Hα-helixtrans-61-42.5176.9-64.8164.664.300111.7L69 E70 K75 G76 F99 V100 Q103 I105L69-M73 HydrophobicContact CB-SD 3.85Å; L69-M73 VanDerWaalsContact O-CG 3.29Å; L69-M73 WeakPolarHBondContact O-CG 3.18Å; L69-M73 PolarHBondContact O-N 2.97Å; E70-M73 PolarHBondContact O-N 2.85Å; M73-K75 PolarHBondContact O-N 3.38Å; M73-G76 PolarHBondContact O-N 3.19Å; M73-F99 HydrophobicContact CE-CD1 4.06Å; M73-F99 HydrophobicContact CE-CE1 3.64Å; M73-F99 HydrophobicContact CE-CZ 4.3Å; M73-F99 HydrophobicContact SD-CD1 4.19Å; M73-F99 HydrophobicContact SD-CE1 3.71Å; M73-V100 HydrophobicContact CE-CG2 4.42Å; M73-V100 HydrophobicContact SD-CG2 3.97Å; M73-Q103 HydrophobicContact CE-CB 3.73Å; M73-Q103 HydrophobicContact CE-CG 3.42Å; M73-Q103 VanDerWaalsContact CE-CG 3.42Å; M73-I105 HydrophobicContact CB-CD1 3.82Å; M73-I105 HydrophobicContact CE-CD1 3.96Å; M73-I105 HydrophobicContact CG-CD1 3.69Å
74K96.6Very high96Very high155 Ų15535.5 Ų35.567%0.67418%0.184SC*.THydrogen-bonded Turntrans-62.6-9176.6-73.2167.9-169.5165.90113.7E70 V72 G76E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 WeakPolarHBondContact O-CG 3.44Å; E70-K74 PolarHBondContact O-N 2.91Å; E70-K74 IonicContact OE2-NZ 3.26Å; E70-K74 PolarHBondContact OE2-NZ 2.92Å; V72-K74 PolarHBondContact O-N 2.88Å; K74-G76 VanDerWaalsContact C-N 3.32Å
75K97.1Very high96.1Very high112 Ų11235.5 Ų35.549%0.48718%0.184SC..THydrogen-bonded Turntrans-88.24.5175.4-57.9-72.9-178-174.50113.5W29 E71 V72 M73W29-K75 HydrophobicContact CB-CB 3.82Å; W29-K75 HydrophobicContact CB-CG 3.95Å; W29-K75 HydrophobicContact CD2-CG 3.98Å; W29-K75 HydrophobicContact CG-CB 3.9Å; W29-K75 HydrophobicContact CG-CD 4.2Å; W29-K75 HydrophobicContact CG-CG 3.54Å; E71-K75 VanDerWaalsContact O-CG 3.31Å; E71-K75 WeakPolarHBondContact O-CG 3.36Å; V72-K75 WeakPolarHBondContact O-CB 3.48Å; V72-K75 PolarHBondContact O-N 2.81Å; V72-K75 VanDerWaalsContact O-N 3.1Å; M73-K75 PolarHBondContact O-N 3.38Å
76G95.2Very high95.9Very high45 Ų4535.7 Ų35.746%0.46419%0.185SC..THydrogen-bonded Turntrans77.640173.700000113.4M73 K74 K128M73-G76 PolarHBondContact O-N 3.19Å; K74-G76 VanDerWaalsContact C-N 3.32Å; G76-K128 WeakPolarHBondContact O-CD 3.08Å
77I97.8Very high95.6Very high9 Ų937.6 Ų37.65%0.04620%0.199CC..  trans-78.3152.2173.863.2165.6000110.9P30 V72 L80 I105 K128P30-I77 VanDerWaalsContact CD-CG2 3.43Å; P30-I77 HydrophobicContact CG-CG2 4.06Å; V72-I77 HydrophobicContact CG1-CD1 4Å; I77-L80 HydrophobicContact CD1-CB 3.83Å; I77-L80 HydrophobicContact CD1-CD1 3.69Å; I77-L80 HydrophobicContact CD1-CG 4.35Å; I77-I105 HydrophobicContact CD1-CG2 4.16Å; I77-I105 HydrophobicContact CG1-CD1 4.13Å; I77-I105 HydrophobicContact CG1-CG2 4.31Å; I77-K128 CarbonylContact C-O 3.5Å; I77-K128 VanDerWaalsContact CA-O 3.26Å; I77-K128 WeakPolarHBondContact CA-O 3.22Å; I77-K128 WeakPolarHBondContact CB-O 3.47Å
78E97.6Very high95.4Very high111 Ų11139.7 Ų39.752%0.51920%0.201SC..SBendtrans-103.9-24173.6-68.8163.6-163.300110.9E106 K128E78-E106 PolarHBondContact O-N 3.46Å; E78-K128 HydrophobicContact CB-CB 4.48Å; E78-K128 HydrophobicContact CG-CB 4.28Å; E78-K128 HydrophobicContact CG-CD 4.49Å; E78-K128 PolarHBondContact N-O 3.39Å; E78-K128 WeakPolarHBondContact OE1-CD 3.49Å; E78-K128 WeakPolarHBondContact OE1-CE 3.13Å; E78-K128 IonicContact OE1-NZ 2.76Å; E78-K128 PolarHBondContact OE1-NZ 2.84Å
79L98.4Very high95Very high15 Ų1541.2 Ų41.28%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-136.4133.2179.9-168.4154.2000110.7V81 E106 L122 V129 G130L79-V81 HydrophobicContact CD2-CG2 3.46Å; L79-V81 VanDerWaalsContact CD2-CG2 3.46Å; L79-E106 CarbonylContact C-O 3.58Å; L79-E106 WeakPolarHBondContact CA-O 3.5Å; L79-E106 HydrophobicContact CB-CB 4.48Å; L79-E106 HydrophobicContact CD1-CB 4.43Å; L79-E106 HydrophobicContact CD1-CG 4.35Å; L79-E106 HydrophobicContact CG-CB 4.18Å; L79-E106 HydrophobicContact CG-CG 4.42Å; L79-L122 HydrophobicContact CD1-CD1 3.87Å; L79-L122 HydrophobicContact CD2-CD1 3.67Å; L79-L122 HydrophobicContact CG-CD1 4.39Å; L79-V129 HydrophobicContact CD2-CG2 3.8Å; L79-V129 CarbonylContact O-C 3.54Å; L79-V129 WeakPolarHBondContact O-CA 3.37Å; L79-G130 PolarHBondContact O-N 2.74Å
80L98.6Very high94.6Very high0 Ų041.2 Ų41.20%021%0.214CC..EExtended strand (participates in β ladder)trans-111.6124.2175.7-176.172.8000110.9L69 V72 I77 I82 V100 I105 E106 V107 R108 G130L69-L80 HydrophobicContact CB-CD2 4.31Å; L69-L80 HydrophobicContact CD1-CD2 3.79Å; L69-L80 HydrophobicContact CD2-CD2 4.02Å; L69-L80 HydrophobicContact CG-CD2 4.25Å; V72-L80 HydrophobicContact CB-CD1 4.44Å; V72-L80 HydrophobicContact CG1-CD1 4.01Å; I77-L80 HydrophobicContact CD1-CB 3.83Å; I77-L80 HydrophobicContact CD1-CD1 3.69Å; I77-L80 HydrophobicContact CD1-CG 4.35Å; L80-I82 HydrophobicContact CD2-CD1 4.11Å; L80-I82 HydrophobicContact CD2-CG1 4.14Å; L80-I82 HydrophobicContact CG-CG1 4.25Å; L80-V100 HydrophobicContact CB-CG1 4.39Å; L80-V100 HydrophobicContact CD2-CG1 4Å; L80-V100 HydrophobicContact CD2-CG2 3.85Å; L80-I105 HydrophobicContact CB-CG2 3.98Å; L80-E106 PolarHBondContact N-O 2.82Å; L80-V107 HydrophobicContact CB-CG2 4.48Å; L80-V107 HydrophobicContact CD2-CG2 4.24Å; L80-V107 CarbonylContact O-C 3.6Å; L80-V107 WeakPolarHBondContact O-CA 3.35Å; L80-R108 PolarHBondContact O-N 2.6Å; L80-G130 WeakPolarHBondContact CA-O 3.4Å
81V98.7Very high94.3Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-103.3128.7171.9-175.60000110.1L79 R108 A115 L122 V129 G130 G131 V132 F133L79-V81 HydrophobicContact CD2-CG2 3.46Å; L79-V81 VanDerWaalsContact CD2-CG2 3.46Å; V81-R108 CarbonylContact C-O 3.54Å; V81-R108 WeakPolarHBondContact CA-O 3.38Å; V81-A115 HydrophobicContact CG1-CB 3.8Å; V81-L122 HydrophobicContact CG2-CD1 4.42Å; V81-V129 HydrophobicContact CG2-CG2 3.91Å; V81-G130 PolarHBondContact N-O 2.84Å; V81-G131 CarbonylContact O-C 3.5Å; V81-G131 WeakPolarHBondContact O-CA 3.46Å; V81-V132 PolarHBondContact O-N 2.73Å; V81-F133 HydrophobicContact CB-CZ 4.28Å; V81-F133 HydrophobicContact CG1-CE1 4.15Å; V81-F133 HydrophobicContact CG1-CZ 4.22Å
82I98.4Very high94.2Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-113.6111.5177.5-56.3178.3000108.9V64 L69 L80 V92 L97 V107 R108 V109 L110 V132V64-I82 HydrophobicContact CG2-CG2 4.3Å; L69-I82 HydrophobicContact CD1-CD1 4.09Å; L69-I82 HydrophobicContact CD2-CD1 4.42Å; L80-I82 HydrophobicContact CD2-CD1 4.11Å; L80-I82 HydrophobicContact CD2-CG1 4.14Å; L80-I82 HydrophobicContact CG-CG1 4.25Å; I82-V92 HydrophobicContact CD1-CG1 4.02Å; I82-V92 HydrophobicContact CG2-CG2 3.9Å; I82-L97 HydrophobicContact CD1-CD2 4.33Å; I82-V107 HydrophobicContact CD1-CG2 3.85Å; I82-V107 HydrophobicContact CG1-CG2 4.3Å; I82-R108 PolarHBondContact N-O 2.81Å; I82-V109 HydrophobicContact CB-CG2 4.33Å; I82-V109 HydrophobicContact CD1-CG2 4.33Å; I82-L110 PolarHBondContact O-N 2.65Å; I82-V132 WeakPolarHBondContact CA-O 3.44Å; I82-V132 HydrophobicContact CB-CG2 4.45Å; I82-V132 HydrophobicContact CG1-CG2 4.21Å; I82-V132 HydrophobicContact CG2-CG2 4.03Å
83G97.8Very high93.9Very high0 Ų042.7 Ų42.70%023%0.225CC..EExtended strand (participates in β ladder)trans-86.1103.2170.300000110.8G85 L110 T112 V132 H134G83-G85 VanDerWaalsContact C-N 3.27Å; G83-G85 PolarHBondContact O-N 3.16Å; G83-L110 WeakPolarHBondContact CA-O 3.38Å; G83-T112 PolarHBondContact O-OG1 3.25Å; G83-V132 PolarHBondContact N-O 2.93Å; G83-H134 PolarHBondContact O-N 2.83Å
84R94.8Very high93.7Very high47 Ų4745.9 Ų45.918%0.17725%0.249CC..EExtended strand (participates in β ladder)trans-88.827.2-171.467.2170.6-62.9172.40.8114.9E88 L90 V92 V109 L110R84-E88 HydrophobicContact CG-CB 4.14Å; R84-E88 HydrophobicContact CG-CG 4.2Å; R84-E88 VanDerWaalsContact CZ-O 3.28Å; R84-E88 PolarHBondContact NE-O 2.96Å; R84-E88 VanDerWaalsContact NE-O 3.08Å; R84-E88 PolarHBondContact NH2-O 2.92Å; R84-E88 CarbonylContact O-C 3.46Å; R84-E88 WeakPolarHBondContact O-CA 3.15Å; R84-L90 HydrophobicContact CB-CB 4.41Å; R84-L90 VanDerWaalsContact CZ-O 3.28Å; R84-L90 PolarHBondContact NE-O 3.25Å; R84-L90 PolarHBondContact NH2-O 3.15Å; R84-L90 WeakPolarHBondContact O-CB 3.22Å; R84-L90 PolarHBondContact O-N 2.95Å; R84-V92 HydrophobicContact CB-CG2 4.23Å; R84-V109 HydrophobicContact CB-CG1 4.34Å; R84-V109 HydrophobicContact CG-CG1 4.21Å; R84-L110 PolarHBondContact N-O 3.39Å; R84-L110 VanDerWaalsContact N-O 3.07Å
85G93.3Very high93.5Very high0 Ų042.1 Ų42.10%024%0.242CC..  trans97.3163.3-176.200000113.7G83 S87 T112 H134 T136 C137G83-G85 VanDerWaalsContact C-N 3.27Å; G83-G85 PolarHBondContact O-N 3.16Å; G85-S87 VanDerWaalsContact C-N 3.29Å; G85-T112 VanDerWaalsContact CA-OG1 3.26Å; G85-T112 WeakPolarHBondContact CA-OG1 3.35Å; G85-T112 PolarHBondContact N-OG1 3.46Å; G85-T112 PolarHBondContact O-N 3.28Å; G85-T112 PolarHBondContact O-OG1 3.44Å; G85-H134 WeakPolarHBondContact CA-O 3.4Å; G85-T136 CarbonylContact C-O 3.49Å; G85-T136 VanDerWaalsContact CA-O 3.26Å; G85-T136 WeakPolarHBondContact CA-O 3.47Å; G85-C137 WeakPolarHBondContact CA-OXT 3.36Å
86M90Very high93.4Very high45 Ų4536.9 Ų36.922%0.22222%0.219CC..SBendtrans-66.3-32.6175.7-60.4-64.8-173.700111.7L9 W11 Q113 S135 T136L9-M86 HydrophobicContact CD1-CE 3.64Å; L9-M86 HydrophobicContact CD2-CE 4.06Å; L9-M86 HydrophobicContact CG-CE 3.84Å; W11-M86 HydrophobicContact CE3-CB 4.45Å; W11-M86 HydrophobicContact CE3-CG 4.07Å; W11-M86 HydrophobicContact CZ3-CB 4.11Å; W11-M86 HydrophobicContact CZ3-CG 4.21Å; M86-Q113 HydrophobicContact SD-CG 3.84Å; M86-S135 VanDerWaalsContact CE-O 3.22Å; M86-S135 WeakPolarHBondContact CE-O 3.42Å; M86-T136 WeakPolarHBondContact CB-O 3.28Å; M86-T136 WeakPolarHBondContact CG-O 3.48Å; M86-T136 PolarHBondContact N-O 2.74Å
87S86.3Confident93.4Very high76 Ų7636.3 Ų36.353%0.53121%0.206SC..SBendtrans-111.28.8-179.2-54.90000112.7G85 A89 C137G85-S87 VanDerWaalsContact C-N 3.29Å; S87-A89 PolarHBondContact O-N 3.11Å; S87-A89 VanDerWaalsContact O-N 3.17Å; S87-C137 PolarHBondContact OG-SG 2.76Å
88E88.9Confident93.3Very high92 Ų9239.4 Ų39.443%0.4322%0.222SC..SBendtrans60.121.3-180-53.8-177.1-122.400114.9R84 L90 P111R84-E88 HydrophobicContact CG-CB 4.14Å; R84-E88 HydrophobicContact CG-CG 4.2Å; R84-E88 VanDerWaalsContact CZ-O 3.28Å; R84-E88 PolarHBondContact NE-O 2.96Å; R84-E88 VanDerWaalsContact NE-O 3.08Å; R84-E88 PolarHBondContact NH2-O 2.92Å; R84-E88 CarbonylContact O-C 3.46Å; R84-E88 WeakPolarHBondContact O-CA 3.15Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.95Å; E88-P111 HydrophobicContact CG-CB 4.01Å; E88-P111 HydrophobicContact CG-CG 3.9Å; E88-P111 WeakPolarHBondContact OE1-CG 3.28Å
89A84.6Confident93.2Very high32 Ų3236.6 Ų36.626%0.26421%0.208SC..  trans-70.1-33.7-174.700000111.4H60 S87 Q91 C137H60-A89 VanDerWaalsContact CB-O 3.29Å; H60-A89 WeakPolarHBondContact CB-O 3.36Å; S87-A89 PolarHBondContact O-N 3.11Å; S87-A89 VanDerWaalsContact O-N 3.17Å; A89-Q91 PolarHBondContact O-N 3.08Å; A89-Q91 PolarHBondContact O-NE2 2.96Å; A89-C137 HydrophobicContact CB-CB 4.21Å; A89-C137 VanDerWaalsContact CB-OXT 3.32Å; A89-C137 WeakPolarHBondContact CB-OXT 3.29Å; A89-C137 PolarHBondContact N-OXT 2.85Å
90L86.8Confident93.1Very high0 Ų035.9 Ų35.90%021%0.205CC..SBendtrans-63.1121.3175.8-178.861.2000110.9W36 W38 T43 H60 V64 R84 E88 H134W36-L90 HydrophobicContact CH2-CD2 3.74Å; W36-L90 HydrophobicContact CZ3-CD2 4.2Å; W38-L90 HydrophobicContact CH2-CD1 3.78Å; W38-L90 HydrophobicContact CH2-CD2 4.16Å; W38-L90 HydrophobicContact CH2-CG 4.41Å; W38-L90 HydrophobicContact CZ2-CD1 4.07Å; W38-L90 HydrophobicContact CZ2-CD2 3.75Å; W38-L90 HydrophobicContact CZ2-CG 4.45Å; W38-L90 HydrophobicContact CZ3-CD1 4.26Å; T43-L90 HydrophobicContact CG2-CD1 4.23Å; H60-L90 PolarHBondContact CD2-N 3.04Å; V64-L90 HydrophobicContact CG2-CD1 4.38Å; V64-L90 HydrophobicContact CG2-CD2 3.75Å; V64-L90 HydrophobicContact CG2-CG 3.99Å; R84-L90 HydrophobicContact CB-CB 4.41Å; R84-L90 VanDerWaalsContact CZ-O 3.28Å; R84-L90 PolarHBondContact NE-O 3.25Å; R84-L90 PolarHBondContact NH2-O 3.15Å; R84-L90 WeakPolarHBondContact O-CB 3.22Å; R84-L90 PolarHBondContact O-N 2.95Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.95Å; L90-H134 HydrophobicContact CD2-CB 3.94Å
91Q89.8Confident93Very high87 Ų8741.5 Ų41.541%0.40723%0.229SC..  trans-79.6150.7177.7-59.3-54.3-4500111.4G63 V64 A89G63-Q91 CarbonylContact C-O 3.49Å; G63-Q91 WeakPolarHBondContact CA-O 3.43Å; V64-Q91 PolarHBondContact N-O 3.07Å; A89-Q91 PolarHBondContact O-N 3.08Å; A89-Q91 PolarHBondContact O-NE2 2.96Å
92V92.6Very high92.9Very high19 Ų1948.7 Ų48.712%0.11526%0.263CS..  trans-125.397.7171.6-171.70000107.5V64 I82 R84 L97 V109V64-V92 HydrophobicContact CB-CG1 4.47Å; V64-V92 HydrophobicContact CB-CG2 4.5Å; V64-V92 HydrophobicContact CG2-CG2 4Å; I82-V92 HydrophobicContact CD1-CG1 4.02Å; I82-V92 HydrophobicContact CG2-CG2 3.9Å; R84-V92 HydrophobicContact CB-CG2 4.23Å; V92-L97 HydrophobicContact CG1-CD2 3.64Å; V92-L97 HydrophobicContact CG1-CG 4.01Å; V92-V109 HydrophobicContact CB-CG1 4.31Å; V92-V109 HydrophobicContact CB-CG2 4.44Å; V92-V109 HydrophobicContact CG1-CG2 4.15Å; V92-V109 HydrophobicContact CG2-CG1 3.76Å; V92-V109 HydrophobicContact CG2-CG2 4.5Å
93P92.6Very high92.8Very high32 Ų3254.3 Ų54.321%0.20829%0.289CS..  trans-56.2143.3-179-27.235.9000112.5P62 V64 S95 T96 L97P62-P93 WeakPolarHBondContact O-CG 3.39Å; V64-P93 WeakPolarHBondContact O-CD 3.45Å; P93-S95 PolarHBondContact O-N 3.45Å; P93-T96 WeakPolarHBondContact O-CB 3.03Å; P93-T96 PolarHBondContact O-N 2.85Å; P93-L97 PolarHBondContact O-N 2.88Å
94S91.9Very high92.7Very high87 Ų8757.6 Ų57.661%0.60832%0.323SS*.Hα-helixtrans-58-37.8174.9550000111.9T96 L97 D98S94-T96 PolarHBondContact O-N 2.89Å; S94-L97 CarbonylContact O-C 3.52Å; S94-L97 WeakPolarHBondContact O-CA 3.18Å; S94-L97 WeakPolarHBondContact O-CB 3.43Å; S94-L97 PolarHBondContact O-N 2.84Å; S94-D98 PolarHBondContact O-N 3.4Å
95S92.9Very high92.9Very high76 Ų7656 Ų5653%0.53132%0.318SS..Hα-helixtrans-57.3-35.8174.856.70000113P93 F99P93-S95 PolarHBondContact O-N 3.45Å; S95-F99 WeakPolarHBondContact O-CB 3.39Å; S95-F99 PolarHBondContact O-N 3.25Å
96T93.9Very high93.1Very high1 Ų160.7 Ų60.71%0.00634%0.34CS..Hα-helixtrans-69.9-40.7175.4-570000110.7V64 L69 P93 S94 F99 V100V64-T96 HydrophobicContact CG1-CG2 4.34Å; V64-T96 WeakPolarHBondContact O-CB 3.32Å; V64-T96 WeakPolarHBondContact O-CG2 3.43Å; V64-T96 PolarHBondContact O-OG1 2.88Å; L69-T96 HydrophobicContact CD1-CG2 3.41Å; L69-T96 VanDerWaalsContact CD1-CG2 3.41Å; L69-T96 HydrophobicContact CG-CG2 4.38Å; P93-T96 WeakPolarHBondContact O-CB 3.03Å; P93-T96 PolarHBondContact O-N 2.85Å; S94-T96 PolarHBondContact O-N 2.89Å; T96-F99 PolarHBondContact O-N 2.58Å; T96-V100 WeakPolarHBondContact O-CG2 3.27Å; T96-V100 PolarHBondContact O-N 3.44Å
97L95.1Very high93.5Very high34 Ų3459.8 Ų59.818%0.17834%0.337CS..Hα-helixtrans-66.5-41.3175.9-60.1178.7000112.1I82 V92 P93 S94 F99 V100 K101 V107 V109I82-L97 HydrophobicContact CD1-CD2 4.33Å; V92-L97 HydrophobicContact CG1-CD2 3.64Å; V92-L97 HydrophobicContact CG1-CG 4.01Å; P93-L97 PolarHBondContact O-N 2.88Å; S94-L97 CarbonylContact O-C 3.52Å; S94-L97 WeakPolarHBondContact O-CA 3.18Å; S94-L97 WeakPolarHBondContact O-CB 3.43Å; S94-L97 PolarHBondContact O-N 2.84Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-V100 PolarHBondContact O-N 2.95Å; L97-K101 WeakPolarHBondContact O-CG 3.4Å; L97-K101 PolarHBondContact O-N 2.94Å; L97-V107 HydrophobicContact CB-CG1 4.47Å; L97-V107 HydrophobicContact CD2-CB 4.48Å; L97-V107 HydrophobicContact CD2-CG1 3.94Å; L97-V107 HydrophobicContact CD2-CG2 3.71Å; L97-V109 HydrophobicContact CD1-CG2 4.44Å; L97-V109 HydrophobicContact CD2-CG2 3.64Å
98D95.6Very high94Very high73 Ų7359.9 Ų59.939%0.3933%0.326SS..Hα-helixtrans-65.6-40.3178.7-65.5-25.4000110.8S94 V100 K101 Q102S94-D98 PolarHBondContact O-N 3.4Å; D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3Å; D98-K101 PolarHBondContact O-N 2.91Å; D98-Q102 WeakPolarHBondContact O-CB 3.36Å; D98-Q102 WeakPolarHBondContact O-CG 3.13Å; D98-Q102 PolarHBondContact O-N 3.07Å
99F95.9Very high94.5Very high52 Ų5257.8 Ų57.823%0.22832%0.319CS..Hα-helixtrans-55.8-46.7172172.7-100.9000112.1P66 E70 M73 S95 T96 L97 Q103P66-F99 HydrophobicContact CB-CD1 3.68Å; P66-F99 HydrophobicContact CB-CD2 4.44Å; P66-F99 HydrophobicContact CB-CE1 3.88Å; P66-F99 HydrophobicContact CB-CG 3.96Å; P66-F99 HydrophobicContact CB-CZ 4.36Å; P66-F99 HydrophobicContact CG-CB 4.46Å; P66-F99 HydrophobicContact CG-CD1 4.45Å; P66-F99 HydrophobicContact CG-CG 4.39Å; E70-F99 HydrophobicContact CG-CE1 4.01Å; E70-F99 HydrophobicContact CG-CZ 3.85Å; M73-F99 HydrophobicContact CE-CD1 4.06Å; M73-F99 HydrophobicContact CE-CE1 3.64Å; M73-F99 HydrophobicContact CE-CZ 4.3Å; M73-F99 HydrophobicContact SD-CD1 4.19Å; M73-F99 HydrophobicContact SD-CE1 3.71Å; S95-F99 WeakPolarHBondContact O-CB 3.39Å; S95-F99 PolarHBondContact O-N 3.25Å; T96-F99 PolarHBondContact O-N 2.58Å; L97-F99 VanDerWaalsContact C-N 3.34Å; F99-Q103 WeakPolarHBondContact O-CG 3.49Å
100V96.9Very high95.1Very high0 Ų058.6 Ų58.60%032%0.318CS..Hα-helixtrans-64.3-46.3178.1177.80000111.1L69 M73 L80 T96 L97 D98 Q102 Q103 I105 V107L69-V100 HydrophobicContact CD1-CG2 3.53Å; M73-V100 HydrophobicContact CE-CG2 4.42Å; M73-V100 HydrophobicContact SD-CG2 3.97Å; L80-V100 HydrophobicContact CB-CG1 4.39Å; L80-V100 HydrophobicContact CD2-CG1 4Å; L80-V100 HydrophobicContact CD2-CG2 3.85Å; T96-V100 WeakPolarHBondContact O-CG2 3.27Å; T96-V100 PolarHBondContact O-N 3.44Å; L97-V100 PolarHBondContact O-N 2.95Å; D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3Å; V100-Q102 VanDerWaalsContact C-N 3.34Å; V100-Q102 PolarHBondContact O-N 3.26Å; V100-Q103 WeakPolarHBondContact O-CB 3.26Å; V100-Q103 PolarHBondContact O-N 2.81Å; V100-Q103 VanDerWaalsContact O-N 3.1Å; V100-I105 HydrophobicContact CG1-CB 3.73Å; V100-I105 HydrophobicContact CG1-CG2 3.7Å; V100-I105 PolarHBondContact O-N 3.04Å; V100-V107 HydrophobicContact CG1-CB 4.04Å
101K95.8Very high95.6Very high119 Ų11959.5 Ų59.552%0.51733%0.325SS..Hα-helixtrans-64-37-179.8-71.5172.5-175.9174.30112.8L97 D98 Q103 G104 V107L97-K101 WeakPolarHBondContact O-CG 3.4Å; L97-K101 PolarHBondContact O-N 2.94Å; D98-K101 PolarHBondContact O-N 2.91Å; K101-Q103 PolarHBondContact O-N 3.5Å; K101-G104 WeakPolarHBondContact O-CA 3.31Å; K101-G104 PolarHBondContact O-N 3.5Å; K101-V107 HydrophobicContact CG-CG1 4.19Å
102Q96.8Very high96Very high150 Ų15055.4 Ų55.470%0.70131%0.305SS*.Hα-helixtrans-62.4-23.1175.8-77.2172.16.900112.7D98 V100 G104D98-Q102 WeakPolarHBondContact O-CB 3.36Å; D98-Q102 WeakPolarHBondContact O-CG 3.13Å; D98-Q102 PolarHBondContact O-N 3.07Å; V100-Q102 VanDerWaalsContact C-N 3.34Å; V100-Q102 PolarHBondContact O-N 3.26Å; Q102-G104 VanDerWaalsContact C-N 3.26Å
103Q96Very high96.2Very high118 Ų11861.1 Ų61.155%0.55133%0.331SS*.THydrogen-bonded Turntrans-86.87.5172.7-56.5-56.1-50.200113.1M73 F99 V100 K101 I105M73-Q103 HydrophobicContact CE-CB 3.73Å; M73-Q103 HydrophobicContact CE-CG 3.42Å; M73-Q103 VanDerWaalsContact CE-CG 3.42Å; F99-Q103 WeakPolarHBondContact O-CG 3.49Å; V100-Q103 WeakPolarHBondContact O-CB 3.26Å; V100-Q103 PolarHBondContact O-N 2.81Å; V100-Q103 VanDerWaalsContact O-N 3.1Å; K101-Q103 PolarHBondContact O-N 3.5Å; Q103-I105 VanDerWaalsContact C-N 3.32Å; Q103-I105 HydrophobicContact CB-CD1 4.25Å; Q103-I105 HydrophobicContact CB-CG1 4.46Å; Q103-I105 PolarHBondContact O-N 3.4Å
104G96.8Very high96.5Very high70 Ų7066.1 Ų66.172%0.72235%0.349SS*.THydrogen-bonded Turntrans75.217.6179.400000114.5K101 Q102K101-G104 WeakPolarHBondContact O-CA 3.31Å; K101-G104 PolarHBondContact O-N 3.5Å; Q102-G104 VanDerWaalsContact C-N 3.26Å
105I98.1Very high96.8Very high14 Ų1462 Ų627%0.07232%0.32CS..  trans-99.3130-177.3-62170.3000109.5M73 I77 L80 V100 Q103M73-I105 HydrophobicContact CB-CD1 3.82Å; M73-I105 HydrophobicContact CE-CD1 3.96Å; M73-I105 HydrophobicContact CG-CD1 3.69Å; I77-I105 HydrophobicContact CD1-CG2 4.16Å; I77-I105 HydrophobicContact CG1-CD1 4.13Å; I77-I105 HydrophobicContact CG1-CG2 4.31Å; L80-I105 HydrophobicContact CB-CG2 3.98Å; V100-I105 HydrophobicContact CG1-CB 3.73Å; V100-I105 HydrophobicContact CG1-CG2 3.7Å; V100-I105 PolarHBondContact O-N 3.04Å; Q103-I105 VanDerWaalsContact C-N 3.32Å; Q103-I105 HydrophobicContact CB-CD1 4.25Å; Q103-I105 HydrophobicContact CB-CG1 4.46Å; Q103-I105 PolarHBondContact O-N 3.4Å
106E97.6Very high97.1Very high98 Ų9858.9 Ų58.946%0.45830%0.298SS..EExtended strand (participates in β ladder)trans-69.9137.8171.5-172.6-175146.300109.5E78 L79 L80 R108E78-E106 PolarHBondContact O-N 3.46Å; L79-E106 CarbonylContact C-O 3.58Å; L79-E106 WeakPolarHBondContact CA-O 3.5Å; L79-E106 HydrophobicContact CB-CB 4.48Å; L79-E106 HydrophobicContact CD1-CB 4.43Å; L79-E106 HydrophobicContact CD1-CG 4.35Å; L79-E106 HydrophobicContact CG-CB 4.18Å; L79-E106 HydrophobicContact CG-CG 4.42Å; L80-E106 PolarHBondContact N-O 2.82Å; E106-R108 IonicContact OE1-CZ 3.99Å; E106-R108 VanDerWaalsContact OE1-CZ 3.26Å; E106-R108 IonicContact OE1-NE 3.51Å; E106-R108 PolarHBondContact OE1-NE 2.67Å; E106-R108 IonicContact OE1-NH2 3.19Å; E106-R108 PolarHBondContact OE1-NH2 3.2Å
107V98.1Very high97.3Very high26 Ų2661.9 Ų61.916%0.15832%0.323CS..EExtended strand (participates in β ladder)trans-125.2132.7-179.863.70000111.7L80 I82 L97 V100 K101L80-V107 HydrophobicContact CB-CG2 4.48Å; L80-V107 HydrophobicContact CD2-CG2 4.24Å; L80-V107 CarbonylContact O-C 3.6Å; L80-V107 WeakPolarHBondContact O-CA 3.35Å; I82-V107 HydrophobicContact CD1-CG2 3.85Å; I82-V107 HydrophobicContact CG1-CG2 4.3Å; L97-V107 HydrophobicContact CB-CG1 4.47Å; L97-V107 HydrophobicContact CD2-CB 4.48Å; L97-V107 HydrophobicContact CD2-CG1 3.94Å; L97-V107 HydrophobicContact CD2-CG2 3.71Å; V100-V107 HydrophobicContact CG1-CB 4.04Å; K101-V107 HydrophobicContact CG-CG1 4.19Å
108R98.3Very high97.4Very high78 Ų7862.1 Ų62.129%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-123.1120.7175.9-61.5-173.1-176.4176.86.6110.3L80 V81 I82 E106 E118L80-R108 PolarHBondContact O-N 2.6Å; V81-R108 CarbonylContact C-O 3.54Å; V81-R108 WeakPolarHBondContact CA-O 3.38Å; I82-R108 PolarHBondContact N-O 2.81Å; E106-R108 IonicContact OE1-CZ 3.99Å; E106-R108 VanDerWaalsContact OE1-CZ 3.26Å; E106-R108 IonicContact OE1-NE 3.51Å; E106-R108 PolarHBondContact OE1-NE 2.67Å; E106-R108 IonicContact OE1-NH2 3.19Å; E106-R108 PolarHBondContact OE1-NH2 3.2Å; R108-E118 IonicContact CZ-OE1 2.76Å; R108-E118 IonicContact NH1-OE1 2.84Å; R108-E118 PolarHBondContact NH1-OE1 3.31Å
109V97.9Very high97.6Very high47 Ų4758.6 Ų58.629%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-106.1121.9176.9-174.80000108.7I82 R84 V92 L97I82-V109 HydrophobicContact CB-CG2 4.33Å; I82-V109 HydrophobicContact CD1-CG2 4.33Å; R84-V109 HydrophobicContact CB-CG1 4.34Å; R84-V109 HydrophobicContact CG-CG1 4.21Å; V92-V109 HydrophobicContact CB-CG1 4.31Å; V92-V109 HydrophobicContact CB-CG2 4.44Å; V92-V109 HydrophobicContact CG1-CG2 4.15Å; V92-V109 HydrophobicContact CG2-CG1 3.76Å; V92-V109 HydrophobicContact CG2-CG2 4.5Å; L97-V109 HydrophobicContact CD1-CG2 4.44Å; L97-V109 HydrophobicContact CD2-CG2 3.64Å
110L98Very high97.7Very high49 Ų4957.7 Ų57.726%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-143.2156.9-172.9-65.4169.8000110.9I82 G83 R84 K114 A115 E118I82-L110 PolarHBondContact O-N 2.65Å; G83-L110 WeakPolarHBondContact CA-O 3.38Å; R84-L110 PolarHBondContact N-O 3.39Å; R84-L110 VanDerWaalsContact N-O 3.07Å; L110-K114 HydrophobicContact CB-CB 4.24Å; L110-A115 HydrophobicContact CB-CB 3.93Å; L110-E118 HydrophobicContact CD1-CB 3.99Å; L110-E118 HydrophobicContact CD1-CG 4.31Å
111P97.3Very high97.8Very high20 Ų2062.9 Ų62.913%0.1333%0.325CS..  trans-54.1141.6163.1-16.624.8000110E88 Q113 K114 A115E88-P111 HydrophobicContact CG-CB 4.01Å; E88-P111 HydrophobicContact CG-CG 3.9Å; E88-P111 WeakPolarHBondContact OE1-CG 3.28Å; P111-Q113 VanDerWaalsContact C-N 3.26Å; P111-Q113 PolarHBondContact O-N 3Å; P111-K114 HydrophobicContact CG-CD 4.13Å; P111-K114 WeakPolarHBondContact O-CA 3.39Å; P111-K114 PolarHBondContact O-N 2.89Å; P111-A115 WeakPolarHBondContact O-CB 3.29Å; P111-A115 PolarHBondContact O-N 2.95Å
112T97.8Very high97.9Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-55.9-36.4-167.6-640000113.9L9 G83 G85 K114 A115 V116 F133 H134L9-T112 HydrophobicContact CD1-CG2 3.85Å; L9-T112 HydrophobicContact CD2-CG2 4.02Å; G83-T112 PolarHBondContact O-OG1 3.25Å; G85-T112 VanDerWaalsContact CA-OG1 3.26Å; G85-T112 WeakPolarHBondContact CA-OG1 3.35Å; G85-T112 PolarHBondContact N-OG1 3.46Å; G85-T112 PolarHBondContact O-N 3.28Å; G85-T112 PolarHBondContact O-OG1 3.44Å; T112-K114 PolarHBondContact O-N 3.35Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 3.17Å; T112-V116 HydrophobicContact CG2-CG2 4.31Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 2.87Å; T112-F133 HydrophobicContact CG2-CB 4.48Å; T112-F133 HydrophobicContact CG2-CD1 4.49Å; T112-H134 VanDerWaalsContact CB-O 3.31Å; T112-H134 WeakPolarHBondContact CB-O 3.33Å; T112-H134 VanDerWaalsContact CG2-O 3.27Å; T112-H134 WeakPolarHBondContact CG2-O 3.35Å; T112-H134 PolarHBondContact OG1-O 3.43Å
113Q97.4Very high97.9Very high139 Ų13951.3 Ų51.365%0.6527%0.274SS*.Hα-helixtrans-61.8-45.3175.6-67.4-179.4-27.700112.6L9 M86 P111 A117L9-Q113 HydrophobicContact CD2-CG 4.09Å; M86-Q113 HydrophobicContact SD-CG 3.84Å; P111-Q113 VanDerWaalsContact C-N 3.26Å; P111-Q113 PolarHBondContact O-N 3Å; Q113-A117 PolarHBondContact O-N 2.71Å
114K98.3Very high98Very high137 Ų13750.5 Ų50.560%0.59628%0.277SS*.Hα-helixtrans-70.6-37.8177.1-65.8-177.2-176.31720111.1L110 P111 T112 A117 E118L110-K114 HydrophobicContact CB-CB 4.24Å; P111-K114 HydrophobicContact CG-CD 4.13Å; P111-K114 WeakPolarHBondContact O-CA 3.39Å; P111-K114 PolarHBondContact O-N 2.89Å; T112-K114 PolarHBondContact O-N 3.35Å; K114-A117 PolarHBondContact O-N 2.59Å; K114-E118 WeakPolarHBondContact O-CB 3.46Å; K114-E118 PolarHBondContact O-N 3.11Å
115A98.5Very high98Very high0 Ų053.5 Ų53.50%027%0.272CS..Hα-helixtrans-58.2-49176.100000111.1V81 L110 P111 T112 E118 Y119 F133V81-A115 HydrophobicContact CG1-CB 3.8Å; L110-A115 HydrophobicContact CB-CB 3.93Å; P111-A115 WeakPolarHBondContact O-CB 3.29Å; P111-A115 PolarHBondContact O-N 2.95Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 3.17Å; A115-E118 PolarHBondContact O-N 3.16Å; A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.18Å; A115-F133 HydrophobicContact CB-CD1 4Å; A115-F133 HydrophobicContact CB-CE1 3.69Å
116V98.5Very high97.9Very high12 Ų1255.5 Ų55.57%0.07330%0.296CS..Hα-helixtrans-64.7-42.4179.6167.80000111.3I6 L9 M14 T112 Y119 N120 F133I6-V116 HydrophobicContact CB-CG1 3.97Å; I6-V116 HydrophobicContact CD1-CG1 4.39Å; I6-V116 HydrophobicContact CD1-CG2 3.88Å; I6-V116 HydrophobicContact CG2-CG1 3.86Å; I6-V116 HydrophobicContact CG2-CG2 4.29Å; L9-V116 HydrophobicContact CD2-CB 4.24Å; L9-V116 HydrophobicContact CD2-CG2 3.97Å; M14-V116 HydrophobicContact CE-CG2 3.88Å; T112-V116 HydrophobicContact CG2-CG2 4.31Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 2.87Å; V116-Y119 PolarHBondContact O-N 2.99Å; V116-N120 WeakPolarHBondContact O-CB 3.39Å; V116-N120 PolarHBondContact O-N 2.9Å; V116-F133 HydrophobicContact CG2-CD1 3.65Å; V116-F133 HydrophobicContact CG2-CE1 3.84Å; V116-F133 HydrophobicContact CG2-CG 4.42Å
117A98.5Very high97.9Very high63 Ų6352.5 Ų52.552%0.52129%0.288SS..Hα-helixtrans-61.3-46176.400000112Q113 K114 K121Q113-A117 PolarHBondContact O-N 2.71Å; K114-A117 PolarHBondContact O-N 2.59Å; A117-K121 WeakPolarHBondContact O-CB 3.43Å; A117-K121 PolarHBondContact O-N 3.2Å
118E98.6Very high97.8Very high39 Ų3956.2 Ų56.218%0.18230%0.302CS..Hα-helixtrans-66.9-44178.8-171.459.7-158.700111.7R108 L110 K114 A115 N120 K121 L122R108-E118 IonicContact CZ-OE1 2.76Å; R108-E118 IonicContact NH1-OE1 2.84Å; R108-E118 PolarHBondContact NH1-OE1 3.31Å; L110-E118 HydrophobicContact CD1-CB 3.99Å; L110-E118 HydrophobicContact CD1-CG 4.31Å; K114-E118 WeakPolarHBondContact O-CB 3.46Å; K114-E118 PolarHBondContact O-N 3.11Å; A115-E118 PolarHBondContact O-N 3.16Å; E118-N120 PolarHBondContact O-N 2.89Å; E118-K121 PolarHBondContact O-N 3.15Å; E118-L122 HydrophobicContact CG-CD1 4.19Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.25Å; E118-L122 PolarHBondContact O-N 3.16Å
119Y98.7Very high97.8Very high0 Ų052.5 Ų52.50%029%0.288CS..Hα-helixtrans-58.2-48.8175.7171.3-89.6000111.7P4 I6 V28 A115 V116 K121 L122 A123 V129 F133P4-Y119 WeakPolarHBondContact O-CE1 3.44Å; P4-Y119 PolarHBondContact O-OH 3.13Å; I6-Y119 HydrophobicContact CD1-CD1 3.7Å; I6-Y119 HydrophobicContact CD1-CE1 4.01Å; I6-Y119 HydrophobicContact CD1-CG 4.35Å; I6-Y119 HydrophobicContact CG1-CD1 3.97Å; I6-Y119 HydrophobicContact CG1-CE1 3.89Å; V28-Y119 HydrophobicContact CB-CE2 4.44Å; V28-Y119 HydrophobicContact CG2-CD2 4.13Å; V28-Y119 HydrophobicContact CG2-CE1 4.07Å; V28-Y119 HydrophobicContact CG2-CE2 3.4Å; V28-Y119 VanDerWaalsContact CG2-CE2 3.4Å; V28-Y119 WeakPolarHBondContact CG2-OH 3.5Å; A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.18Å; V116-Y119 PolarHBondContact O-N 2.99Å; Y119-K121 PolarHBondContact O-N 2.9Å; Y119-L122 PolarHBondContact O-N 3.13Å; Y119-A123 HydrophobicContact CE1-CB 4.37Å; Y119-A123 WeakPolarHBondContact O-CB 3.26Å; Y119-A123 PolarHBondContact O-N 3.39Å; Y119-V129 HydrophobicContact CD2-CB 4.39Å; Y119-V129 HydrophobicContact CD2-CG1 3.96Å; Y119-V129 HydrophobicContact CD2-CG2 3.59Å; Y119-V129 HydrophobicContact CE2-CB 4.34Å; Y119-V129 HydrophobicContact CE2-CG1 3.72Å; Y119-V129 HydrophobicContact CE2-CG2 3.95Å; Y119-F133 HydrophobicContact CD1-CZ 4.37Å; Y119-F133 HydrophobicContact CD2-CE2 4.3Å; Y119-F133 AromaticContact CD2-CZ 3.95Å; Y119-F133 HydrophobicContact CD2-CZ 3.95Å; Y119-F133 HydrophobicContact CG-CE2 4.35Å; Y119-F133 AromaticContact CG-CZ 3.73Å; Y119-F133 HydrophobicContact CG-CZ 3.73Å
120N98.6Very high97.9Very high32 Ų3250.2 Ų50.217%0.17128%0.275CS..Hα-helixtrans-64.4-41.4-179.8-78.6-10.1000111.8I6 V116 E118 L122 A123 V124I6-N120 PolarHBondContact N-OD1 3.21Å; I6-N120 PolarHBondContact O-ND2 3.45Å; V116-N120 WeakPolarHBondContact O-CB 3.39Å; V116-N120 PolarHBondContact O-N 2.9Å; E118-N120 PolarHBondContact O-N 2.89Å; N120-L122 VanDerWaalsContact C-N 3.31Å; N120-L122 PolarHBondContact O-N 3.26Å; N120-A123 PolarHBondContact O-N 2.86Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 2.71Å
121K98.5Very high97.9Very high110 Ų11047.9 Ų47.948%0.47826%0.262SS..Hα-helixtrans-55.2-47.7174175.8-172.5168-164.20111.2A117 E118 Y119 Q125A117-K121 WeakPolarHBondContact O-CB 3.43Å; A117-K121 PolarHBondContact O-N 3.2Å; E118-K121 PolarHBondContact O-N 3.15Å; Y119-K121 PolarHBondContact O-N 2.9Å; K121-Q125 VanDerWaalsContact O-CG 3.26Å; K121-Q125 WeakPolarHBondContact O-CG 3.47Å; K121-Q125 PolarHBondContact O-N 3.3Å
122L98.1Very high97.9Very high17 Ų1747 Ų479%0.08926%0.256CS..Hα-helixtrans-67.5-41179-68.2168.6000112.3L79 V81 E118 Y119 N120 Q125 G126 A127 V129L79-L122 HydrophobicContact CD1-CD1 3.87Å; L79-L122 HydrophobicContact CD2-CD1 3.67Å; L79-L122 HydrophobicContact CG-CD1 4.39Å; V81-L122 HydrophobicContact CG2-CD1 4.42Å; E118-L122 HydrophobicContact CG-CD1 4.19Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.25Å; E118-L122 PolarHBondContact O-N 3.16Å; Y119-L122 PolarHBondContact O-N 3.13Å; N120-L122 VanDerWaalsContact C-N 3.31Å; N120-L122 PolarHBondContact O-N 3.26Å; L122-Q125 PolarHBondContact O-N 2.67Å; L122-G126 PolarHBondContact O-N 3.25Å; L122-A127 HydrophobicContact CB-CB 4.16Å; L122-A127 VanDerWaalsContact O-CB 3.31Å; L122-A127 WeakPolarHBondContact O-CB 3.28Å; L122-A127 PolarHBondContact O-N 2.86Å; L122-A127 VanDerWaalsContact O-N 3.08Å; L122-V129 HydrophobicContact CB-CB 4.15Å; L122-V129 HydrophobicContact CB-CG1 4.01Å; L122-V129 HydrophobicContact CB-CG2 4.33Å; L122-V129 HydrophobicContact CD1-CG2 4.12Å
123A97.6Very high97.9Very high9 Ų947 Ų477%0.07426%0.256CS..Hα-helixtrans-62.3-44.1178.100000111.8Y119 N120 Q125 G126 V129Y119-A123 HydrophobicContact CE1-CB 4.37Å; Y119-A123 WeakPolarHBondContact O-CB 3.26Å; Y119-A123 PolarHBondContact O-N 3.39Å; N120-A123 PolarHBondContact O-N 2.86Å; A123-Q125 VanDerWaalsContact C-N 3.26Å; A123-Q125 PolarHBondContact O-N 3.44Å; A123-G126 PolarHBondContact O-N 2.99Å; A123-V129 HydrophobicContact CB-CG1 3.99Å
124V97.1Very high97.9Very high101 Ų10140.6 Ų40.661%0.61223%0.226SC*.Hα-helixtrans-63.8-32.4175.8171.50000111.9E5 N120 G126E5-V124 HydrophobicContact CG-CG2 4.21Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 2.71Å; V124-G126 PolarHBondContact O-N 2.82Å
125Q96.9Very high97.7Very high132 Ų13234 Ų3462%0.61720%0.198SC*.THydrogen-bonded Turntrans-74.6-1.9174.6-70.4172.8-15.200113.6K121 L122 A123 A127K121-Q125 VanDerWaalsContact O-CG 3.26Å; K121-Q125 WeakPolarHBondContact O-CG 3.47Å; K121-Q125 PolarHBondContact O-N 3.3Å; L122-Q125 PolarHBondContact O-N 2.67Å; A123-Q125 VanDerWaalsContact C-N 3.26Å; A123-Q125 PolarHBondContact O-N 3.44Å; Q125-A127 VanDerWaalsContact C-N 3.32Å
126G96.1Very high97.3Very high56 Ų5635.1 Ų35.158%0.57720%0.204SC*.THydrogen-bonded Turntrans78.812.718000000114.3L122 A123 V124L122-G126 PolarHBondContact O-N 3.25Å; A123-G126 PolarHBondContact O-N 2.99Å; V124-G126 PolarHBondContact O-N 2.82Å
127A96.6Very high96.8Very high35 Ų3536.6 Ų36.629%0.28922%0.215SC..  trans-64.2147.2175.200000110.8S3 L122 Q125 V129S3-A127 PolarHBondContact OG-O 3.46Å; L122-A127 HydrophobicContact CB-CB 4.16Å; L122-A127 VanDerWaalsContact O-CB 3.31Å; L122-A127 WeakPolarHBondContact O-CB 3.28Å; L122-A127 PolarHBondContact O-N 2.86Å; L122-A127 VanDerWaalsContact O-N 3.08Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; A127-V129 PolarHBondContact O-N 3.14Å
128K97.1Very high96.7Very high104 Ų10435.3 Ų35.345%0.45220%0.2SC..  trans-78.467.5171-60.9-172.3-161.1134.90110.2P30 G76 I77 E78P30-K128 HydrophobicContact CG-CB 4.29Å; G76-K128 WeakPolarHBondContact O-CD 3.08Å; I77-K128 CarbonylContact C-O 3.5Å; I77-K128 VanDerWaalsContact CA-O 3.26Å; I77-K128 WeakPolarHBondContact CA-O 3.22Å; I77-K128 WeakPolarHBondContact CB-O 3.47Å; E78-K128 HydrophobicContact CB-CB 4.48Å; E78-K128 HydrophobicContact CG-CB 4.28Å; E78-K128 HydrophobicContact CG-CD 4.49Å; E78-K128 PolarHBondContact N-O 3.39Å; E78-K128 WeakPolarHBondContact OE1-CD 3.49Å; E78-K128 WeakPolarHBondContact OE1-CE 3.13Å; E78-K128 IonicContact OE1-NZ 2.76Å; E78-K128 PolarHBondContact OE1-NZ 2.84Å
129V98.5Very high96.6Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-92.9135.4-177.462.90000110.9S3 L79 V81 Y119 L122 A123 A127S3-V129 WeakPolarHBondContact CB-O 3.4Å; S3-V129 PolarHBondContact OG-N 2.79Å; S3-V129 PolarHBondContact OG-O 3.33Å; L79-V129 HydrophobicContact CD2-CG2 3.8Å; L79-V129 CarbonylContact O-C 3.54Å; L79-V129 WeakPolarHBondContact O-CA 3.37Å; V81-V129 HydrophobicContact CG2-CG2 3.91Å; Y119-V129 HydrophobicContact CD2-CB 4.39Å; Y119-V129 HydrophobicContact CD2-CG1 3.96Å; Y119-V129 HydrophobicContact CD2-CG2 3.59Å; Y119-V129 HydrophobicContact CE2-CB 4.34Å; Y119-V129 HydrophobicContact CE2-CG1 3.72Å; Y119-V129 HydrophobicContact CE2-CG2 3.95Å; L122-V129 HydrophobicContact CB-CB 4.15Å; L122-V129 HydrophobicContact CB-CG1 4.01Å; L122-V129 HydrophobicContact CB-CG2 4.33Å; L122-V129 HydrophobicContact CD1-CG2 4.12Å; A123-V129 HydrophobicContact CB-CG1 3.99Å; A127-V129 PolarHBondContact O-N 3.14Å
130G98.5Very high96.5Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-119.1173.4165.700000111.1V28 L79 L80 V81V28-G130 CarbonylContact O-C 3.58Å; V28-G130 WeakPolarHBondContact O-CA 3.29Å; L79-G130 PolarHBondContact O-N 2.74Å; L80-G130 WeakPolarHBondContact CA-O 3.4Å; V81-G130 PolarHBondContact N-O 2.84Å
131G98.3Very high96.3Very high0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-171.4166.7173.600000115K27 V28 V81K27-G131 CarbonylContact C-O 3.59Å; K27-G131 WeakPolarHBondContact CA-O 3.32Å; V28-G131 PolarHBondContact N-O 3.33Å; V28-G131 PolarHBondContact O-N 3.44Å; V81-G131 CarbonylContact O-C 3.5Å; V81-G131 WeakPolarHBondContact O-CA 3.46Å
132V98.3Very high96.2Very high0 Ų032.8 Ų32.80%020%0.197CC..EExtended strand (participates in β ladder)trans-127135.4169.5-55.60000108.5C26 K27 W36 L69 V72 V81 I82 G83C26-V132 CarbonylContact O-C 3.53Å; C26-V132 WeakPolarHBondContact O-CA 3.48Å; K27-V132 HydrophobicContact CB-CG1 4.29Å; K27-V132 HydrophobicContact CD-CG1 4.36Å; K27-V132 HydrophobicContact CG-CG1 3.87Å; W36-V132 HydrophobicContact CD2-CB 4.25Å; W36-V132 HydrophobicContact CE3-CB 3.92Å; W36-V132 HydrophobicContact CE3-CG2 4.42Å; W36-V132 HydrophobicContact CH2-CB 4.23Å; W36-V132 HydrophobicContact CH2-CG2 3.85Å; W36-V132 HydrophobicContact CZ2-CG2 4.34Å; W36-V132 HydrophobicContact CZ3-CB 3.92Å; W36-V132 HydrophobicContact CZ3-CG2 3.91Å; L69-V132 HydrophobicContact CD2-CB 4.39Å; L69-V132 HydrophobicContact CD2-CG1 3.77Å; L69-V132 HydrophobicContact CD2-CG2 3.64Å; V72-V132 HydrophobicContact CG2-CG1 4.12Å; V81-V132 PolarHBondContact O-N 2.73Å; I82-V132 WeakPolarHBondContact CA-O 3.44Å; I82-V132 HydrophobicContact CB-CG2 4.45Å; I82-V132 HydrophobicContact CG1-CG2 4.21Å; I82-V132 HydrophobicContact CG2-CG2 4.03Å; G83-V132 PolarHBondContact N-O 2.93Å
133F98.2Very high96.1Very high0 Ų033.8 Ų33.80%021%0.205CC..EExtended strand (participates in β ladder)trans-134.4123.2-170.7-60.6-91.5000110.8I6 M14 D25 C26 V28 V81 T112 A115 V116 Y119I6-F133 HydrophobicContact CD1-CD1 4.3Å; I6-F133 HydrophobicContact CD1-CD2 3.79Å; I6-F133 HydrophobicContact CD1-CE1 4.06Å; I6-F133 HydrophobicContact CD1-CE2 3.55Å; I6-F133 HydrophobicContact CD1-CG 4.18Å; I6-F133 HydrophobicContact CD1-CZ 3.69Å; M14-F133 HydrophobicContact CE-CB 3.54Å; M14-F133 HydrophobicContact CE-CD1 4.42Å; M14-F133 HydrophobicContact CE-CD2 4.44Å; M14-F133 HydrophobicContact CE-CG 3.9Å; M14-F133 HydrophobicContact SD-CB 3.6Å; D25-F133 WeakPolarHBondContact CA-O 3.18Å; D25-F133 WeakPolarHBondContact CB-O 3.43Å; C26-F133 PolarHBondContact N-O 2.75Å; C26-F133 PolarHBondContact O-N 3.25Å; V28-F133 HydrophobicContact CG2-CD2 4.22Å; V28-F133 HydrophobicContact CG2-CE2 3.56Å; V81-F133 HydrophobicContact CB-CZ 4.28Å; V81-F133 HydrophobicContact CG1-CE1 4.15Å; V81-F133 HydrophobicContact CG1-CZ 4.22Å; T112-F133 HydrophobicContact CG2-CB 4.48Å; T112-F133 HydrophobicContact CG2-CD1 4.49Å; A115-F133 HydrophobicContact CB-CD1 4Å; A115-F133 HydrophobicContact CB-CE1 3.69Å; V116-F133 HydrophobicContact CG2-CD1 3.65Å; V116-F133 HydrophobicContact CG2-CE1 3.84Å; V116-F133 HydrophobicContact CG2-CG 4.42Å; Y119-F133 HydrophobicContact CD1-CZ 4.37Å; Y119-F133 HydrophobicContact CD2-CE2 4.3Å; Y119-F133 AromaticContact CD2-CZ 3.95Å; Y119-F133 HydrophobicContact CD2-CZ 3.95Å; Y119-F133 HydrophobicContact CG-CE2 4.35Å; Y119-F133 AromaticContact CG-CZ 3.73Å; Y119-F133 HydrophobicContact CG-CZ 3.73Å
134H96.4Very high96Very high5 Ų535.6 Ų35.62%0.02321%0.214CC..EExtended strand (participates in β ladder)trans-96.6121.7170-177.654.9000110.5D25 W36 W38 G83 G85 L90 T112 T136 C137D25-H134 WeakPolarHBondContact OD1-CA 3.22Å; D25-H134 IonicContact OD1-CE1 3.15Å; D25-H134 IonicContact OD1-CG 2.76Å; D25-H134 IonicContact OD1-ND1 2.89Å; D25-H134 PolarHBondContact OD1-ND1 3.34Å; D25-H134 VanDerWaalsContact OD1-ND1 3.14Å; D25-H134 IonicContact OD2-CE1 2.74Å; D25-H134 PolarHBondContact OD2-CE1 3.11Å; D25-H134 IonicContact OD2-CG 2.62Å; D25-H134 IonicContact OD2-ND1 2.74Å; D25-H134 PolarHBondContact OD2-ND1 3.11Å; W36-H134 HydrophobicContact CZ3-CB 4.2Å; W38-H134 AromaticContact CH2-CE1 3.5Å; W38-H134 AromaticContact CH2-CG 3.99Å; W38-H134 AromaticContact CH2-ND1 3.7Å; W38-H134 AromaticContact CH2-NE2 3.8Å; W38-H134 HydrophobicContact CZ2-CB 4.07Å; W38-H134 AromaticContact CZ2-CE1 3.48Å; W38-H134 VanDerWaalsContact CZ2-CE1 3.48Å; W38-H134 WeakPolarHBondContact CZ2-CE1 3.46Å; W38-H134 AromaticContact CZ2-CG 3.52Å; W38-H134 AromaticContact CZ2-ND1 3.18Å; W38-H134 WeakPolarHBondContact CZ2-ND1 3.15Å; G83-H134 PolarHBondContact O-N 2.83Å; G85-H134 WeakPolarHBondContact CA-O 3.4Å; L90-H134 HydrophobicContact CD2-CB 3.94Å; T112-H134 VanDerWaalsContact CB-O 3.31Å; T112-H134 WeakPolarHBondContact CB-O 3.33Å; T112-H134 VanDerWaalsContact CG2-O 3.27Å; T112-H134 WeakPolarHBondContact CG2-O 3.35Å; T112-H134 PolarHBondContact OG1-O 3.43Å; H134-T136 PolarHBondContact CE1-OG1 3.05Å; H134-T136 PolarHBondContact NE2-OG1 2.73Å; H134-C137 PolarHBondContact CD2-O 2.84Å; H134-C137 PolarHBondContact NE2-O 3.05Å
135S93.4Very high95.9Very high0 Ų030.5 Ų30.50%018%0.183CC..  trans-94.21.2-171.468.70000115G12 K24 D25 M86G12-S135 WeakPolarHBondContact CA-OG 3.46Å; G12-S135 PolarHBondContact N-O 2.78Å; G12-S135 PolarHBondContact N-OG 3.02Å; K24-S135 VanDerWaalsContact O-CB 3.25Å; K24-S135 WeakPolarHBondContact O-CB 3.34Å; K24-S135 PolarHBondContact O-OG 3.38Å; D25-S135 PolarHBondContact OD1-N 2.85Å; D25-S135 PolarHBondContact OD1-OG 3.29Å; M86-S135 VanDerWaalsContact CE-O 3.22Å; M86-S135 WeakPolarHBondContact CE-O 3.42Å
136T91.6Very high95.8Very high22 Ų2222.1 Ų22.114%0.13515%0.147CC..  trans-115.3-143.2175.459.30000111.1W11 G85 M86 H134W11-T136 HydrophobicContact CD2-CG2 4.16Å; W11-T136 HydrophobicContact CG-CG2 4.28Å; W11-T136 HydrophobicContact CZ2-CG2 4.26Å; G85-T136 CarbonylContact C-O 3.49Å; G85-T136 VanDerWaalsContact CA-O 3.26Å; G85-T136 WeakPolarHBondContact CA-O 3.47Å; M86-T136 WeakPolarHBondContact CB-O 3.28Å; M86-T136 WeakPolarHBondContact CG-O 3.48Å; M86-T136 PolarHBondContact N-O 2.74Å; H134-T136 PolarHBondContact CE1-OG1 3.05Å; H134-T136 PolarHBondContact NE2-OG1 2.73Å
137C86.4Confident95.8Very high43 Ų4319 Ų1929%0.29111%0.108SC..  trans-74.60-175.4-83.80000114.1W11 H60 G85 S87 A89 H134W11-C137 WeakPolarHBondContact CH2-SG 3.44Å; H60-C137 PolarHBondContact CD2-O 2.99Å; H60-C137 PolarHBondContact NE2-O 3.38Å; G85-C137 WeakPolarHBondContact CA-OXT 3.36Å; S87-C137 PolarHBondContact OG-SG 2.76Å; A89-C137 HydrophobicContact CB-CB 4.21Å; A89-C137 VanDerWaalsContact CB-OXT 3.32Å; A89-C137 WeakPolarHBondContact CB-OXT 3.29Å; A89-C137 PolarHBondContact N-OXT 2.85Å; H134-C137 PolarHBondContact CD2-O 2.84Å; H134-C137 PolarHBondContact NE2-O 3.05Å

Retrieved 137 of 137 residues in 1100.7 ms (Link to these results)

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