A0A087X7F5_POEFO Loading...

LY6/PLAUR domain containing 1

AlphaFold DB , UniProt , Accession A0A087X7F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 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
1M54.9Low61.4Low216 Ų216117.8 Ų117.8100%1.06460%0.595SS**  0-38.40-71.2175.3136.300112.6L3 R4 T5M1-L3 PolarHBondContact O-N 2.96Å; M1-R4 PolarHBondContact O-N 3.17Å; M1-T5 PolarHBondContact O-OG1 3.01Å
2R57.7Low61.3Low154 Ų154113.2 Ų113.258%0.58158%0.582SS**Hα-helixtrans-56.8-39.4178.4-57.9-96.1-169.2-154.1-5.4115.3R4 T5 V6 C136R2-R4 VanDerWaalsContact C-N 3.34Å; R2-R4 PolarHBondContact O-N 2.99Å; R2-T5 WeakPolarHBondContact CA-OG1 3.29Å; R2-T5 PolarHBondContact O-N 2.85Å; R2-T5 PolarHBondContact O-OG1 2.9Å; R2-V6 WeakPolarHBondContact O-CG2 3.49Å; R2-V6 PolarHBondContact O-N 2.76Å; R2-V6 VanDerWaalsContact O-N 3.09Å; R2-C136 PolarHBondContact NE-OXT 3.31Å; R2-C136 VanDerWaalsContact NE-OXT 3.13Å
3L55.9Low61.1Low122 Ų122113.8 Ų113.864%0.63959%0.586SS**Hα-helixtrans-67.6-32-178.9-158.270.8000113.2M1 S7M1-L3 PolarHBondContact O-N 2.96Å; L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.38Å
4R58.7Low60.9Low217 Ų217115.1 Ų115.182%0.81959%0.593SS**Hα-helixtrans-72.2-37.7177.9-71.6-171.2173.5174.8-2.1111.7M1 R2 A8M1-R4 PolarHBondContact O-N 3.17Å; R2-R4 VanDerWaalsContact C-N 3.34Å; R2-R4 PolarHBondContact O-N 2.99Å; R4-A8 WeakPolarHBondContact O-CB 3.11Å; R4-A8 PolarHBondContact O-N 3.12Å
5T63.1Low60.5Low83 Ų83111.7 Ų111.751%0.50960%0.598SS.*Hα-helixtrans-68.2-40.6174.5360000112M1 R2 A8 L9M1-T5 PolarHBondContact O-OG1 3.01Å; R2-T5 WeakPolarHBondContact CA-OG1 3.29Å; R2-T5 PolarHBondContact O-N 2.85Å; R2-T5 PolarHBondContact O-OG1 2.9Å; T5-A8 PolarHBondContact O-N 3.35Å; T5-L9 WeakPolarHBondContact O-CB 3.43Å; T5-L9 PolarHBondContact O-N 3.1Å
6V64.9Low59.9Low37 Ų37109.4 Ų109.422%0.22459%0.594CS.*Hα-helixtrans-63.7-45.4174.9170.80000111.1R2 A8 L9 L10 L130R2-V6 WeakPolarHBondContact O-CG2 3.49Å; R2-V6 PolarHBondContact O-N 2.76Å; R2-V6 VanDerWaalsContact O-N 3.09Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.36Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L10 WeakPolarHBondContact O-CB 3.11Å; V6-L10 PolarHBondContact O-N 3.27Å; V6-L130 HydrophobicContact CG1-CD2 3.35Å
7S64.8Low59.6Low70 Ų70107.2 Ų107.249%0.4960%0.602SS.*Hα-helixtrans-63.6-36.4177.2-167.90000112.3L3 M11L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.38Å; S7-M11 WeakPolarHBondContact O-CB 3.46Å; S7-M11 VanDerWaalsContact O-CG 3.24Å; S7-M11 WeakPolarHBondContact O-CG 3.01Å; S7-M11 PolarHBondContact O-N 3.43Å
8A66.6Low59.3Low61 Ų61109.7 Ų109.750%0.50461%0.613SS.*Hα-helixtrans-70.3-41.3176.400000112.3R4 T5 V6 M11 S12R4-A8 WeakPolarHBondContact O-CB 3.11Å; R4-A8 PolarHBondContact O-N 3.12Å; T5-A8 PolarHBondContact O-N 3.35Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.36Å; A8-M11 PolarHBondContact O-N 2.96Å; A8-S12 WeakPolarHBondContact O-CB 3.38Å; A8-S12 PolarHBondContact O-N 3.47Å; A8-S12 PolarHBondContact O-OG 2.64Å
9L63.2Low59.1Low106 Ų106107.3 Ų107.356%0.55561%0.609SS**Hα-helixtrans-61.8-47.5173.7-95.1142.8000111.2T5 V6 M11 S12 L13T5-L9 WeakPolarHBondContact O-CB 3.43Å; T5-L9 PolarHBondContact O-N 3.1Å; V6-L9 PolarHBondContact O-N 2.84Å; L9-M11 VanDerWaalsContact C-N 3.34Å; L9-M11 PolarHBondContact O-N 3.4Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-N 3.2Å; L9-S12 VanDerWaalsContact O-N 3.1Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å
10L63.1Low59.1Low104 Ų104108.9 Ų108.955%0.54562%0.615SS.*Hα-helixtrans-59.7-44.3177.5-167.968000111.6V6 S12 L13 L14V6-L10 WeakPolarHBondContact O-CB 3.11Å; V6-L10 PolarHBondContact O-N 3.27Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 PolarHBondContact O-N 2.04Å
11M62.5Low60Low126 Ų126109.2 Ų109.262%0.62161%0.611SS**Hα-helixtrans-65.4-32.9175.2-72.3-60.2-63.800113.1S7 A8 L9 G15S7-M11 WeakPolarHBondContact O-CB 3.46Å; S7-M11 VanDerWaalsContact O-CG 3.24Å; S7-M11 WeakPolarHBondContact O-CG 3.01Å; S7-M11 PolarHBondContact O-N 3.43Å; A8-M11 PolarHBondContact O-N 2.96Å; L9-M11 VanDerWaalsContact C-N 3.34Å; L9-M11 PolarHBondContact O-N 3.4Å; M11-G15 PolarHBondContact O-N 2.68Å
12S59.6Low61.6Low62 Ų6299.5 Ų99.543%0.43456%0.563SS.*Hα-helixtrans-71.6-36.9175.469.70000113A8 L9 L10 G15 S16A8-S12 WeakPolarHBondContact O-CB 3.38Å; A8-S12 PolarHBondContact O-N 3.47Å; A8-S12 PolarHBondContact O-OG 2.64Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-N 3.2Å; L9-S12 VanDerWaalsContact O-N 3.1Å; L9-S12 PolarHBondContact O-OG 3.33Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.01Å; S12-G15 PolarHBondContact O-N 2.73Å; S12-S16 PolarHBondContact O-N 2.92Å; S12-S16 PolarHBondContact O-OG 2.94Å
13L59Low63.3Low122 Ų12295.9 Ų95.964%0.63955%0.553SS**Hα-helixtrans-69.3-37.7173.8-86.592.1000111.8L9 L10L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.4Å
14L58Low65.1Low131 Ų13190.1 Ų90.169%0.68652%0.523SS*.Hα-helixtrans-75.2-26.9176.1-88.479.3000113.3L10L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 PolarHBondContact O-N 2.04Å
15G54.8Low66.9Low64 Ų6481 Ų8166%0.6649%0.489SS*.Hα-helixtrans-84.6-11.7-179.600000114.8M11 S12 G17M11-G15 PolarHBondContact O-N 2.68Å; S12-G15 PolarHBondContact O-N 2.73Å; G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 2.75Å
16S51.6Low68.5Low76 Ų7682 Ų8253%0.53149%0.488SS..  trans-77.583.8172.6-560000108.3S12 L18S12-S16 PolarHBondContact O-N 2.92Å; S12-S16 PolarHBondContact O-OG 2.94Å; S16-L18 PolarHBondContact O-N 2.86Å
17G55Low69.9Low72 Ų7281 Ų8174%0.74248%0.482SS*.  trans-57.692.4168.400000108.9G15 A19G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 2.75Å; G17-A19 PolarHBondContact O-N 3Å
18L54.2Low71.4Confident151 Ų15183.9 Ų83.979%0.79149%0.488SS*.  trans-60.291.4165-83.3122.8000105.8S16 L20S16-L18 PolarHBondContact O-N 2.86Å; L18-L20 PolarHBondContact O-N 2.97Å
19A55.9Low72.6Confident65 Ų6584.4 Ų84.454%0.53748%0.481SS..  trans-59.997.316800000105.2G17 Q21 V44G17-A19 PolarHBondContact O-N 3Å; A19-Q21 PolarHBondContact O-N 2.91Å; A19-V44 HydrophobicContact CB-CB 3.87Å; A19-V44 HydrophobicContact CB-CG1 3.43Å; A19-V44 VanDerWaalsContact CB-CG1 3.43Å; A19-V44 WeakPolarHBondContact O-CG1 3.4Å
20L58.8Low73.8Confident138 Ų13884.5 Ų84.572%0.72349%0.486SS*.  trans-76.792.6-175.2-154.479.8000108L18 I22 V44L18-L20 PolarHBondContact O-N 2.97Å; L20-I22 PolarHBondContact O-N 3.27Å; L20-V44 WeakPolarHBondContact O-CG1 3.46Å
21Q76.7Confident75Confident117 Ų11783.8 Ų83.855%0.54748%0.482SS..  trans-70.4100.1176.4-169.3166.520.900108.8A19 N41 V44A19-Q21 PolarHBondContact O-N 2.91Å; Q21-N41 HydrophobicContact CG-CB 4.06Å; Q21-V44 HydrophobicContact CB-CG1 4.18Å; Q21-V44 HydrophobicContact CB-CG2 3.9Å; Q21-V44 HydrophobicContact CG-CG2 3.99Å
22I89.8Confident76.1Confident11 Ų1179.6 Ų79.66%0.05646%0.463CS..  trans-84.7146.2178.2-171.9172.1000110.6L20 C42 P99L20-I22 PolarHBondContact O-N 3.27Å; I22-C42 HydrophobicContact CG2-CB 3.69Å; I22-C42 WeakPolarHBondContact O-CB 3.44Å; I22-C42 PolarHBondContact O-N 3.14Å; I22-P99 HydrophobicContact CG1-CB 4.2Å
23Q93.1Very high77.5Confident79 Ų7976.7 Ų76.737%0.36944%0.442SS..EExtended strand (participates in β ladder)trans-100136172.3-72.3-179.2-17.100110.7I39 V40 N41 P99 L100Q23-I39 HydrophobicContact CB-CG2 4.06Å; Q23-I39 HydrophobicContact CG-CG2 4.37Å; Q23-V40 WeakPolarHBondContact CA-O 3.08Å; Q23-N41 WeakPolarHBondContact CG-OD1 3.14Å; Q23-N41 PolarHBondContact NE2-OD1 3.43Å; Q23-P99 CarbonylContact O-C 3.6Å; Q23-P99 WeakPolarHBondContact O-CA 3.29Å; Q23-L100 HydrophobicContact CB-CD2 3.77Å; Q23-L100 HydrophobicContact CB-CG 4.34Å; Q23-L100 PolarHBondContact O-N 3.5Å
24C94.7Very high79Confident0 Ų073 Ų730%043%0.43CS..EExtended strand (participates in β ladder)trans-138157.9177-61.80000110.3V40 C42 C50C24-V40 PolarHBondContact N-O 3.15Å; C24-V40 WeakPolarHBondContact O-CG2 3.31Å; C24-V40 PolarHBondContact O-N 3.21Å; C24-C42 PolarHBondContact SG-SG 3.27Å; C24-C50 HydrophobicContact CB-CB 3.75Å; C24-C50 WeakPolarHBondContact CB-SG 3.39Å; C24-C50 WeakPolarHBondContact SG-CA 3.44Å; C24-C50 WeakPolarHBondContact SG-CB 3.46Å; C24-C50 CovalentContact SG-SG 2.03Å; C24-C50 PolarHBondContact SG-SG 3Å
25Y95.9Very high80.6Confident27 Ų2768.2 Ų68.211%0.10641%0.409CS..EExtended strand (participates in β ladder)trans-74.9139.9165.6-69.9-89.7000109.8C33 F38 I39 K65 S66 L100 N102 G103Y25-C33 WeakPolarHBondContact CD1-O 3.31Å; Y25-F38 CarbonylContact C-O 3.57Å; Y25-F38 WeakPolarHBondContact CA-O 3.15Å; Y25-F38 HydrophobicContact CD1-CB 4.13Å; Y25-I39 HydrophobicContact CD1-CG1 4.01Å; Y25-I39 HydrophobicContact CE1-CD1 4.18Å; Y25-I39 HydrophobicContact CE1-CG1 3.67Å; Y25-K65 CarbonylContact O-C 3.54Å; Y25-K65 VanDerWaalsContact O-CB 3.31Å; Y25-K65 WeakPolarHBondContact O-CB 3.15Å; Y25-S66 PolarHBondContact O-N 3.48Å; Y25-L100 HydrophobicContact CD2-CD2 4.43Å; Y25-L100 HydrophobicContact CE2-CB 3.98Å; Y25-L100 HydrophobicContact CE2-CD2 4.14Å; Y25-N102 PolarHBondContact N-OD1 3.13Å; Y25-N102 PolarHBondContact O-ND2 3.16Å; Y25-G103 VanDerWaalsContact CE2-CA 3.42Å
26Q95.6Very high82.3Confident103 Ų10369.8 Ų69.848%0.48141%0.408SS..  trans-130.7120.4173.9-178.9172.23.900111.2F38 V40 K65Q26-F38 PolarHBondContact N-O 3.03Å; Q26-V40 HydrophobicContact CB-CB 4.48Å; Q26-V40 HydrophobicContact CB-CG1 3.98Å; Q26-V40 HydrophobicContact CB-CG2 3.63Å; Q26-K65 VanDerWaalsContact CA-O 3.26Å; Q26-K65 WeakPolarHBondContact CA-O 3.41Å
27C95.3Very high84.3Confident16 Ų1672.9 Ų72.911%0.10841%0.413CS..EExtended strand (participates in β ladder)trans-167.5166.2-179.777.50000112.2C33 F38 R64 K65C27-C33 HydrophobicContact CB-CB 3.45Å; C27-C33 VanDerWaalsContact CB-CB 3.45Å; C27-C33 WeakPolarHBondContact CB-SG 3.49Å; C27-C33 WeakPolarHBondContact SG-CB 3.48Å; C27-C33 CovalentContact SG-SG 2Å; C27-C33 PolarHBondContact SG-SG 2.96Å; C27-F38 HydrophobicContact CB-CD1 4Å; C27-F38 HydrophobicContact CB-CE1 4.41Å; C27-F38 HydrophobicContact CB-CG 4.5Å; C27-R64 WeakPolarHBondContact O-CA 3.31Å; C27-K65 PolarHBondContact N-O 3.29Å; C27-K65 PolarHBondContact O-N 3.45Å
28E95.5Very high86.2Confident130 Ų13071.4 Ų71.461%0.60739%0.387SS*.EExtended strand (participates in β ladder)trans-140.594.4165.8-173.8172.815800108.2L62 Y63 R64E28-L62 HydrophobicContact CG-CD1 4.23Å; E28-L62 HydrophobicContact CG-CD2 4.36Å; E28-Y63 WeakPolarHBondContact CA-O 3.26Å; E28-R64 HydrophobicContact CB-CG 4.35Å; E28-R64 HydrophobicContact CG-CG 4.3Å
29M91.6Very high88.2Confident73 Ų7366.6 Ų66.636%0.3636%0.361SS..EExtended strand (participates in β ladder)trans-148.6160.7-169.6-65.5-177.1167.500111.6D31 C33 F38 Y63M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 VanDerWaalsContact CB-OD1 3.31Å; M29-D31 WeakPolarHBondContact CB-OD1 2.97Å; M29-C33 HydrophobicContact SD-CB 4.21Å; M29-F38 HydrophobicContact CE-CE1 3.51Å; M29-F38 HydrophobicContact CE-CZ 3.63Å; M29-F38 HydrophobicContact SD-CE1 3.75Å; M29-F38 HydrophobicContact SD-CE2 4.44Å; M29-F38 HydrophobicContact SD-CZ 3.53Å; M29-F38 VanDerWaalsContact SD-CZ 3.53Å; M29-Y63 PolarHBondContact N-O 3.5Å; M29-Y63 PolarHBondContact O-N 2.84Å
30T89.8Confident89.9Confident108 Ų10865.5 Ų65.566%0.66335%0.348SS*.SBendtrans-79.9-11.517848.90000113.2I61 L62T30-I61 WeakPolarHBondContact CA-O 3.43Å; T30-L62 HydrophobicContact CG2-CD1 4.47Å
31D87.6Confident91.5Very high88 Ų8863.2 Ų63.247%0.47134%0.336SS..SBendtrans-104161.4167.669.1-56.1000111.3M29 C33M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 VanDerWaalsContact CB-OD1 3.31Å; M29-D31 WeakPolarHBondContact CB-OD1 2.97Å; D31-C33 PolarHBondContact O-N 2Å
32D85.1Confident92.1Very high39 Ų3957.7 Ų57.721%0.20931%0.311CS..  trans-73.111.2-174.8-16324000113.2A34 K52 Y63 K65 P104D32-A34 PolarHBondContact O-N 3.04Å; D32-K52 IonicContact OD1-NZ 3.36Å; D32-K52 PolarHBondContact OD1-NZ 2.87Å; D32-K52 IonicContact OD2-NZ 3.93Å; D32-K52 PolarHBondContact OD2-NZ 3.03Å; D32-Y63 HydrophobicContact CB-CD2 4.43Å; D32-Y63 HydrophobicContact CB-CE2 4.43Å; D32-Y63 HydrophobicContact CB-CG 4.49Å; D32-K65 WeakPolarHBondContact O-CE 3.38Å; D32-K65 PolarHBondContact O-NZ 2.9Å; D32-K65 WeakPolarHBondContact OD1-CE 3.36Å; D32-K65 IonicContact OD1-NZ 3.87Å; D32-K65 PolarHBondContact OD1-NZ 3.26Å; D32-K65 IonicContact OD2-NZ 3.3Å; D32-P104 WeakPolarHBondContact OD2-CA 3.41Å
33C89.6Confident91.9Very high0 Ų061.4 Ų61.40%033%0.334CS..  trans4148.3172.272.80000113.7Y25 C27 M29 D31 A35 F38Y25-C33 WeakPolarHBondContact CD1-O 3.31Å; C27-C33 HydrophobicContact CB-CB 3.45Å; C27-C33 VanDerWaalsContact CB-CB 3.45Å; C27-C33 WeakPolarHBondContact CB-SG 3.49Å; C27-C33 WeakPolarHBondContact SG-CB 3.48Å; C27-C33 CovalentContact SG-SG 2Å; C27-C33 PolarHBondContact SG-SG 2.96Å; M29-C33 HydrophobicContact SD-CB 4.21Å; D31-C33 PolarHBondContact O-N 2Å; C33-A35 PolarHBondContact O-N 2.82Å; C33-F38 HydrophobicContact CB-CD1 4.41Å; C33-F38 HydrophobicContact CB-CD2 3.88Å; C33-F38 HydrophobicContact CB-CE2 4.02Å; C33-F38 HydrophobicContact CB-CG 4.08Å; C33-F38 HydrophobicContact CB-CZ 4.35Å; C33-F38 WeakPolarHBondContact O-CD2 3.16Å
34A89.8Confident90.3Very high46 Ų4660 Ų6038%0.3833%0.331SS..  trans-83.35.1-168.100000114.6D32 P104D32-A34 PolarHBondContact O-N 3.04Å; A34-P104 HydrophobicContact CB-CB 4.1Å; A34-P104 HydrophobicContact CB-CG 3.71Å
35A91.8Very high88.6Confident30 Ų3067.5 Ų67.525%0.24837%0.371CS..SBendtrans-85.5150.7-174.200000111.4C33 E37 F38C33-A35 PolarHBondContact O-N 2.82Å; A35-E37 HydrophobicContact CB-CG 4.27Å; A35-E37 WeakPolarHBondContact CB-OE1 3.03Å; A35-E37 WeakPolarHBondContact CB-OE2 3.39Å; A35-E37 PolarHBondContact O-N 2.87Å; A35-F38 HydrophobicContact CB-CD2 4.01Å; A35-F38 HydrophobicContact CB-CE2 4.11Å; A35-F38 PolarHBondContact O-N 2.82Å; A35-F38 VanDerWaalsContact O-N 3.14Å
36P91.6Very high87.3Confident97 Ų9771.1 Ų71.163%0.6340%0.396SS*.G310 helixtrans-64.7-22.3-171.826.5-35.4000114.1F38 I39P36-F38 PolarHBondContact O-N 2.69Å; P36-I39 HydrophobicContact CB-CD1 4.22Å; P36-I39 WeakPolarHBondContact O-CB 2.99Å; P36-I39 WeakPolarHBondContact O-CG1 3.39Å; P36-I39 PolarHBondContact O-N 3.3Å
37E93.7Very high86.4Confident140 Ų14069 Ų6965%0.65439%0.386SS*.G310 helixtrans-61.9-20.5174.659.4-91.7-151.900113.7A35 I39A35-E37 HydrophobicContact CB-CG 4.27Å; A35-E37 WeakPolarHBondContact CB-OE1 3.03Å; A35-E37 WeakPolarHBondContact CB-OE2 3.39Å; A35-E37 PolarHBondContact O-N 2.87Å; E37-I39 VanDerWaalsContact C-N 3.35Å
38F94.7Very high86Confident41 Ų4172.1 Ų72.118%0.1840%0.401CS..G310 helixtrans-89-0.3176.6-61.5-69.4000113.2Y25 Q26 C27 M29 C33 A35 P36 V40Y25-F38 CarbonylContact C-O 3.57Å; Y25-F38 WeakPolarHBondContact CA-O 3.15Å; Y25-F38 HydrophobicContact CD1-CB 4.13Å; Q26-F38 PolarHBondContact N-O 3.03Å; C27-F38 HydrophobicContact CB-CD1 4Å; C27-F38 HydrophobicContact CB-CE1 4.41Å; C27-F38 HydrophobicContact CB-CG 4.5Å; M29-F38 HydrophobicContact CE-CE1 3.51Å; M29-F38 HydrophobicContact CE-CZ 3.63Å; M29-F38 HydrophobicContact SD-CE1 3.75Å; M29-F38 HydrophobicContact SD-CE2 4.44Å; M29-F38 HydrophobicContact SD-CZ 3.53Å; M29-F38 VanDerWaalsContact SD-CZ 3.53Å; C33-F38 HydrophobicContact CB-CD1 4.41Å; C33-F38 HydrophobicContact CB-CD2 3.88Å; C33-F38 HydrophobicContact CB-CE2 4.02Å; C33-F38 HydrophobicContact CB-CG 4.08Å; C33-F38 HydrophobicContact CB-CZ 4.35Å; C33-F38 WeakPolarHBondContact O-CD2 3.16Å; A35-F38 HydrophobicContact CB-CD2 4.01Å; A35-F38 HydrophobicContact CB-CE2 4.11Å; A35-F38 PolarHBondContact O-N 2.82Å; A35-F38 VanDerWaalsContact O-N 3.14Å; P36-F38 PolarHBondContact O-N 2.69Å; F38-V40 PolarHBondContact O-N 3.28Å
39I94.7Very high85.8Confident51 Ų5167.3 Ų67.326%0.26238%0.379SS..EExtended strand (participates in β ladder)trans-79.9122.4179.3-61.1173.7000109.3Q23 Y25 P36 E37 L100Q23-I39 HydrophobicContact CB-CG2 4.06Å; Q23-I39 HydrophobicContact CG-CG2 4.37Å; Y25-I39 HydrophobicContact CD1-CG1 4.01Å; Y25-I39 HydrophobicContact CE1-CD1 4.18Å; Y25-I39 HydrophobicContact CE1-CG1 3.67Å; P36-I39 HydrophobicContact CB-CD1 4.22Å; P36-I39 WeakPolarHBondContact O-CB 2.99Å; P36-I39 WeakPolarHBondContact O-CG1 3.39Å; P36-I39 PolarHBondContact O-N 3.3Å; E37-I39 VanDerWaalsContact C-N 3.35Å; I39-L100 HydrophobicContact CB-CD2 4.42Å; I39-L100 HydrophobicContact CD1-CD1 4.35Å; I39-L100 HydrophobicContact CD1-CD2 3.94Å; I39-L100 HydrophobicContact CG1-CD2 3.95Å; I39-L100 HydrophobicContact CG2-CD2 3.65Å
40V93.4Very high86Confident42 Ų4263.8 Ų63.826%0.25536%0.362SS..EExtended strand (participates in β ladder)trans-117.9148.2176.8-61.60000110.6Q23 C24 Q26 F38Q23-V40 WeakPolarHBondContact CA-O 3.08Å; C24-V40 PolarHBondContact N-O 3.15Å; C24-V40 WeakPolarHBondContact O-CG2 3.31Å; C24-V40 PolarHBondContact O-N 3.21Å; Q26-V40 HydrophobicContact CB-CB 4.48Å; Q26-V40 HydrophobicContact CB-CG1 3.98Å; Q26-V40 HydrophobicContact CB-CG2 3.63Å; F38-V40 PolarHBondContact O-N 3.28Å
41N92.1Very high86.3Confident89 Ų8959.4 Ų59.448%0.47633%0.334SS..EExtended strand (participates in β ladder)trans-85.6114.2169.6-61.5-58.4000108.5Q21 Q23Q21-N41 HydrophobicContact CG-CB 4.06Å; Q23-N41 WeakPolarHBondContact CG-OD1 3.14Å; Q23-N41 PolarHBondContact NE2-OD1 3.43Å
42C89.6Confident86.6Confident2 Ų256.6 Ų56.61%0.01432%0.317CS..  trans-64.9139.3178.8-58.30000110.6I22 C24 V44 Q47 C67I22-C42 HydrophobicContact CG2-CB 3.69Å; I22-C42 WeakPolarHBondContact O-CB 3.44Å; I22-C42 PolarHBondContact O-N 3.14Å; C24-C42 PolarHBondContact SG-SG 3.27Å; C42-V44 PolarHBondContact O-N 3.13Å; C42-Q47 HydrophobicContact CB-CB 4.18Å; C42-C67 WeakPolarHBondContact CA-SG 3.43Å; C42-C67 HydrophobicContact CB-CB 3.75Å; C42-C67 WeakPolarHBondContact CB-SG 3.45Å; C42-C67 WeakPolarHBondContact SG-CB 2.96Å; C42-C67 CovalentContact SG-SG 2.03Å; C42-C67 PolarHBondContact SG-SG 3.38Å
43T84.1Confident87.1Confident88 Ų8855.2 Ų55.254%0.5431%0.31SS..  trans-73127178.745.20000110.8N45 Q47T43-N45 VanDerWaalsContact C-N 3.26Å; T43-N45 PolarHBondContact O-N 2.95Å; T43-N45 VanDerWaalsContact O-N 3.15Å; T43-Q47 PolarHBondContact O-N 2.78Å; T43-Q47 PolarHBondContact OG1-NE2 2Å
44V60.4Low87.3Confident50 Ų5056.8 Ų56.830%0.30332%0.319SS..THydrogen-bonded Turntrans-77.5-6.2-154.9-140.40000115.1A19 L20 Q21 C42A19-V44 HydrophobicContact CB-CB 3.87Å; A19-V44 HydrophobicContact CB-CG1 3.43Å; A19-V44 VanDerWaalsContact CB-CG1 3.43Å; A19-V44 WeakPolarHBondContact O-CG1 3.4Å; L20-V44 WeakPolarHBondContact O-CG1 3.46Å; Q21-V44 HydrophobicContact CB-CG1 4.18Å; Q21-V44 HydrophobicContact CB-CG2 3.9Å; Q21-V44 HydrophobicContact CG-CG2 3.99Å; C42-V44 PolarHBondContact O-N 3.13Å
45N59.5Low87.5Confident157 Ų15756.1 Ų56.184%0.8431%0.309SS*.THydrogen-bonded Turntrans-95.9-8.2-175.5-80.140000113.9T43T43-N45 VanDerWaalsContact C-N 3.26Å; T43-N45 PolarHBondContact O-N 2.95Å; T43-N45 VanDerWaalsContact O-N 3.15Å
46V68.3Low87.5Confident104 Ų10455.8 Ų55.863%0.6330%0.304SS*.THydrogen-bonded Turntrans-144.5-31.8-178-172.20000112.8S69V46-S69 WeakPolarHBondContact O-CA 3.45Å; V46-S69 WeakPolarHBondContact O-CB 3.41Å
47Q77.3Confident87.4Confident58 Ų5854 Ų5427%0.27129%0.289SS..  trans-112.295.3-166.6-58.7179.488.900111.5C42 T43 C67 A68C42-Q47 HydrophobicContact CB-CB 4.18Å; T43-Q47 PolarHBondContact O-N 2.78Å; T43-Q47 PolarHBondContact OG1-NE2 2Å; Q47-C67 HydrophobicContact CB-CB 3.98Å; Q47-C67 HydrophobicContact CG-CB 4.36Å; Q47-C67 PolarHBondContact OE1-O 3.48Å; Q47-C67 VanDerWaalsContact OE1-O 3.07Å; Q47-A68 CarbonylContact C-O 3.54Å; Q47-A68 WeakPolarHBondContact CA-O 3.39Å
48D86.7Confident87.3Confident81 Ų8152.9 Ų52.943%0.43329%0.288SS..  trans-104.23.7-176.464.3-34.7000113.6A68 S69 S70D48-A68 PolarHBondContact N-O 3.32Å; D48-S69 WeakPolarHBondContact OD1-CA 3.16Å; D48-S70 PolarHBondContact OD1-N 3.23Å; D48-S70 PolarHBondContact OD1-OG 2.83Å; D48-S70 PolarHBondContact OD2-OG 2.03Å
49M91.5Very high87Confident29 Ų2958.8 Ų58.814%0.14332%0.321CS..EExtended strand (participates in β ladder)trans-136.6156.8179.6-71.9-161.3161.100113.2A68 S70 C95 C96M49-A68 PolarHBondContact N-O 3.35Å; M49-A68 PolarHBondContact O-N 2.92Å; M49-S70 WeakPolarHBondContact CE-OG 3.02Å; M49-S70 WeakPolarHBondContact CG-OG 3.03Å; M49-S70 PolarHBondContact SD-OG 2.81Å; M49-C95 HydrophobicContact SD-CB 4.3Å; M49-C96 CarbonylContact C-O 3.53Å; M49-C96 WeakPolarHBondContact CA-O 3.36Å; M49-C96 WeakPolarHBondContact CB-O 3.39Å
50C94.4Very high86.8Confident0 Ų058 Ų580%033%0.325CS..EExtended strand (participates in β ladder)trans-93.6138.3165.3-48.60000110.4C24 C95 C96 N102C24-C50 HydrophobicContact CB-CB 3.75Å; C24-C50 WeakPolarHBondContact CB-SG 3.39Å; C24-C50 WeakPolarHBondContact SG-CA 3.44Å; C24-C50 WeakPolarHBondContact SG-CB 3.46Å; C24-C50 CovalentContact SG-SG 2.03Å; C24-C50 PolarHBondContact SG-SG 3Å; C50-C95 WeakPolarHBondContact O-CA 3.48Å; C50-C96 PolarHBondContact N-O 3.33Å; C50-C96 PolarHBondContact O-N 3.12Å; C50-N102 HydrophobicContact CB-CB 3.78Å
51Q95.5Very high86.7Confident16 Ų1659.5 Ų59.58%0.07533%0.331CS..EExtended strand (participates in β ladder)trans-110.7140.3174.1-179.3166.7-28.700109.8E53 K65 S66 A68 I93 N102Q51-E53 HydrophobicContact CG-CG 4.27Å; Q51-E53 PolarHBondContact NE2-OE1 2.86Å; Q51-K65 WeakPolarHBondContact O-CA 3.28Å; Q51-S66 PolarHBondContact N-O 3.47Å; Q51-S66 PolarHBondContact O-N 2.97Å; Q51-S66 VanDerWaalsContact O-N 3.15Å; Q51-A68 HydrophobicContact CB-CB 3.96Å; Q51-A68 VanDerWaalsContact OE1-CB 3.28Å; Q51-I93 HydrophobicContact CG-CG2 4.21Å; Q51-N102 PolarHBondContact O-ND2 3.45Å; Q51-N102 VanDerWaalsContact O-ND2 3.12Å
52K95.4Very high86.8Confident29 Ų2957.1 Ų57.113%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-133.2124.5169.2171.7167.6176.5154.20109.5D32 V54 K65 I93 S94 N102D32-K52 IonicContact OD1-NZ 3.36Å; D32-K52 PolarHBondContact OD1-NZ 2.87Å; D32-K52 IonicContact OD2-NZ 3.93Å; D32-K52 PolarHBondContact OD2-NZ 3.03Å; K52-V54 HydrophobicContact CG-CG2 4.36Å; K52-K65 HydrophobicContact CG-CG 4.49Å; K52-I93 CarbonylContact O-C 3.52Å; K52-I93 WeakPolarHBondContact O-CA 3.21Å; K52-S94 PolarHBondContact N-O 3.42Å; K52-S94 PolarHBondContact O-N 3.17Å; K52-S94 PolarHBondContact O-OG 3.07Å; K52-N102 HydrophobicContact CB-CB 4Å
53E95Very high87.1Confident10 Ų1059.4 Ų59.45%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-112.4138.8171.5-47.2-175173.600109.7Q51 L55 R64 C92 I93Q51-E53 HydrophobicContact CG-CG 4.27Å; Q51-E53 PolarHBondContact NE2-OE1 2.86Å; E53-L55 HydrophobicContact CB-CD1 3.84Å; E53-R64 HydrophobicContact CB-CB 4.16Å; E53-R64 PolarHBondContact N-O 3.47Å; E53-R64 PolarHBondContact O-N 2.97Å; E53-R64 IonicContact OE1-CZ 3.65Å; E53-R64 IonicContact OE1-NE 3.95Å; E53-R64 IonicContact OE1-NH2 2.86Å; E53-R64 PolarHBondContact OE1-NH2 3.12Å; E53-R64 IonicContact OE2-CZ 3.15Å; E53-R64 IonicContact OE2-NE 2.84Å; E53-R64 PolarHBondContact OE2-NE 2.76Å; E53-R64 IonicContact OE2-NH2 2.69Å; E53-R64 PolarHBondContact OE2-NH2 3.15Å; E53-C92 CarbonylContact C-O 3.56Å; E53-C92 VanDerWaalsContact CA-O 3.28Å; E53-C92 WeakPolarHBondContact CA-O 3.44Å; E53-I93 HydrophobicContact CB-CG1 4.4Å; E53-I93 HydrophobicContact CG-CB 4.49Å; E53-I93 HydrophobicContact CG-CD1 4.3Å; E53-I93 HydrophobicContact CG-CG1 3.94Å; E53-I93 HydrophobicContact CG-CG2 4.26Å
54V94.1Very high87.6Confident32 Ų3260 Ų6019%0.19432%0.319CS..EExtended strand (participates in β ladder)trans-122114.4172.6-175.20000106.7K52 I61 Y63 V91 C92K52-V54 HydrophobicContact CG-CG2 4.36Å; V54-I61 HydrophobicContact CG1-CG2 3.55Å; V54-Y63 HydrophobicContact CG1-CD1 4.48Å; V54-Y63 HydrophobicContact CG1-CE1 4.08Å; V54-Y63 HydrophobicContact CG2-CD1 3.91Å; V54-Y63 HydrophobicContact CG2-CE1 3.85Å; V54-V91 WeakPolarHBondContact O-CA 3.48Å; V54-C92 HydrophobicContact CB-CB 4.37Å; V54-C92 PolarHBondContact N-O 3.21Å; V54-C92 PolarHBondContact O-N 3.07Å
55L93.3Very high89.3Confident33 Ų3357.7 Ų57.717%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-106.8121.8178.3-64.180.5000107.3E53 I61 L62 R64 V91E53-L55 HydrophobicContact CB-CD1 3.84Å; L55-I61 CarbonylContact O-C 3.55Å; L55-I61 WeakPolarHBondContact O-CA 3.39Å; L55-L62 HydrophobicContact CB-CB 4.23Å; L55-L62 HydrophobicContact CD2-CD2 4.45Å; L55-L62 PolarHBondContact N-O 2.69Å; L55-L62 PolarHBondContact O-N 2.89Å; L55-R64 HydrophobicContact CD1-CB 4.46Å; L55-V91 HydrophobicContact CG-CG1 4.32Å; L55-V91 HydrophobicContact CG-CG2 4.24Å
56V92.5Very high91Very high23 Ų2351.6 Ų51.614%0.13928%0.275CS..EExtended strand (participates in β ladder)trans-103110.1176.8-172.30000107.5I61 K87 H89 S90V56-I61 HydrophobicContact CG1-CG1 4.49Å; V56-K87 VanDerWaalsContact CB-O 3.3Å; V56-K87 WeakPolarHBondContact CB-O 3.36Å; V56-H89 WeakPolarHBondContact O-CA 3.39Å; V56-H89 PolarHBondContact O-N 3Å; V56-S90 PolarHBondContact N-O 3.49Å
57N88.9Confident92.3Very high60 Ų6047.2 Ų47.232%0.32125%0.249SC..EExtended strand (participates in β ladder)trans-117.4177-179-62.9-27.2000110.4D59 G60N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.48Å; N57-G60 PolarHBondContact N-O 3.02Å; N57-G60 PolarHBondContact O-N 2.84Å
58D91.8Very high93.1Very high116 Ų11644.8 Ų44.862%0.6224%0.238SC*.THydrogen-bonded Turntrans-60.2-36.8174.9-63.7-56.1000112.5G60 L88 H89D58-G60 PolarHBondContact O-N 2.88Å; D58-L88 WeakPolarHBondContact OD1-CD2 3.25Å; D58-H89 IonicContact OD1-CE1 3.93Å; D58-H89 IonicContact OD1-NE2 2.75Å; D58-H89 IonicContact OD2-CE1 3.9Å; D58-H89 PolarHBondContact OD2-CE1 3.4Å; D58-H89 VanDerWaalsContact OD2-CE1 3.3Å; D58-H89 IonicContact OD2-NE2 2.73Å
59D88.4Confident93.3Very high165 Ų16541.8 Ų41.888%0.88222%0.224SC*.THydrogen-bonded Turntrans-77.3-5.1-179.8-57-53.7000113.7N57N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.48Å
60G90.5Very high93.3Very high34 Ų3441.9 Ų41.935%0.35123%0.227SC..EExtended strand (participates in β ladder)trans126.1-155.8-179.500000113.7N57 D58N57-G60 PolarHBondContact N-O 3.02Å; N57-G60 PolarHBondContact O-N 2.84Å; D58-G60 PolarHBondContact O-N 2.88Å
61I92.2Very high93.1Very high73 Ų7345.4 Ų45.437%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-102.3124.5-178.1-56.3175.7000108.9T30 V54 L55 V56 Y63T30-I61 WeakPolarHBondContact CA-O 3.43Å; V54-I61 HydrophobicContact CG1-CG2 3.55Å; L55-I61 CarbonylContact O-C 3.55Å; L55-I61 WeakPolarHBondContact O-CA 3.39Å; V56-I61 HydrophobicContact CG1-CG1 4.49Å; I61-Y63 HydrophobicContact CB-CE2 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.24Å; I61-Y63 HydrophobicContact CG2-CE1 4.22Å; I61-Y63 HydrophobicContact CG2-CE2 3.67Å
62L94.3Very high92.9Very high39 Ų3946.7 Ų46.720%0.20427%0.266CS..EExtended strand (participates in β ladder)trans-104.4127.3172.5-179.875.4000109.4E28 T30 L55E28-L62 HydrophobicContact CG-CD1 4.23Å; E28-L62 HydrophobicContact CG-CD2 4.36Å; T30-L62 HydrophobicContact CG2-CD1 4.47Å; L55-L62 HydrophobicContact CB-CB 4.23Å; L55-L62 HydrophobicContact CD2-CD2 4.45Å; L55-L62 PolarHBondContact N-O 2.69Å; L55-L62 PolarHBondContact O-N 2.89Å
63Y94.3Very high92.9Very high50 Ų5045.3 Ų45.320%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-100.6127.7173.8-65-84.2000109.4E28 M29 D32 V54 I61E28-Y63 WeakPolarHBondContact CA-O 3.26Å; M29-Y63 PolarHBondContact N-O 3.5Å; M29-Y63 PolarHBondContact O-N 2.84Å; D32-Y63 HydrophobicContact CB-CD2 4.43Å; D32-Y63 HydrophobicContact CB-CE2 4.43Å; D32-Y63 HydrophobicContact CB-CG 4.49Å; V54-Y63 HydrophobicContact CG1-CD1 4.48Å; V54-Y63 HydrophobicContact CG1-CE1 4.08Å; V54-Y63 HydrophobicContact CG2-CD1 3.91Å; V54-Y63 HydrophobicContact CG2-CE1 3.85Å; I61-Y63 HydrophobicContact CB-CE2 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.24Å; I61-Y63 HydrophobicContact CG2-CE1 4.22Å; I61-Y63 HydrophobicContact CG2-CE2 3.67Å
64R95.6Very high92.7Very high100 Ų10049.6 Ų49.638%0.37728%0.282SS..EExtended strand (participates in β ladder)trans-122.5121.2172.2-163.2166.470118.1-4.1109.6C27 E28 E53 L55C27-R64 WeakPolarHBondContact O-CA 3.31Å; E28-R64 HydrophobicContact CB-CG 4.35Å; E28-R64 HydrophobicContact CG-CG 4.3Å; E53-R64 HydrophobicContact CB-CB 4.16Å; E53-R64 PolarHBondContact N-O 3.47Å; E53-R64 PolarHBondContact O-N 2.97Å; E53-R64 IonicContact OE1-CZ 3.65Å; E53-R64 IonicContact OE1-NE 3.95Å; E53-R64 IonicContact OE1-NH2 2.86Å; E53-R64 PolarHBondContact OE1-NH2 3.12Å; E53-R64 IonicContact OE2-CZ 3.15Å; E53-R64 IonicContact OE2-NE 2.84Å; E53-R64 PolarHBondContact OE2-NE 2.76Å; E53-R64 IonicContact OE2-NH2 2.69Å; E53-R64 PolarHBondContact OE2-NH2 3.15Å; L55-R64 HydrophobicContact CD1-CB 4.46Å
65K95.9Very high92.7Very high2 Ų253.7 Ų53.71%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-125.2140.9-177.8-61.4-173.6-171-178.30109.4Y25 Q26 C27 D32 Q51 K52 N102Y25-K65 CarbonylContact O-C 3.54Å; Y25-K65 VanDerWaalsContact O-CB 3.31Å; Y25-K65 WeakPolarHBondContact O-CB 3.15Å; Q26-K65 VanDerWaalsContact CA-O 3.26Å; Q26-K65 WeakPolarHBondContact CA-O 3.41Å; C27-K65 PolarHBondContact N-O 3.29Å; C27-K65 PolarHBondContact O-N 3.45Å; D32-K65 WeakPolarHBondContact O-CE 3.38Å; D32-K65 PolarHBondContact O-NZ 2.9Å; D32-K65 WeakPolarHBondContact OD1-CE 3.36Å; D32-K65 IonicContact OD1-NZ 3.87Å; D32-K65 PolarHBondContact OD1-NZ 3.26Å; D32-K65 IonicContact OD2-NZ 3.3Å; Q51-K65 WeakPolarHBondContact O-CA 3.28Å; K52-K65 HydrophobicContact CG-CG 4.49Å; K65-N102 VanDerWaalsContact CD-O 3.31Å; K65-N102 WeakPolarHBondContact CD-O 3.09Å; K65-N102 WeakPolarHBondContact CE-O 3.13Å; K65-N102 PolarHBondContact NZ-O 3.23Å
66S94.8Very high92.7Very high30 Ų3054.1 Ų54.121%0.2131%0.307CS..EExtended strand (participates in β ladder)trans-158.6166.2178.765.70000111.8Y25 Q51Y25-S66 PolarHBondContact O-N 3.48Å; Q51-S66 PolarHBondContact N-O 3.47Å; Q51-S66 PolarHBondContact O-N 2.97Å; Q51-S66 VanDerWaalsContact O-N 3.15Å
67C95.1Very high92.8Very high12 Ų1254.2 Ų54.28%0.08131%0.309CS..EExtended strand (participates in β ladder)trans-68.9148.6156.2-61.50000109.4C42 Q47C42-C67 WeakPolarHBondContact CA-SG 3.43Å; C42-C67 HydrophobicContact CB-CB 3.75Å; C42-C67 WeakPolarHBondContact CB-SG 3.45Å; C42-C67 WeakPolarHBondContact SG-CB 2.96Å; C42-C67 CovalentContact SG-SG 2.03Å; C42-C67 PolarHBondContact SG-SG 3.38Å; Q47-C67 HydrophobicContact CB-CB 3.98Å; Q47-C67 HydrophobicContact CG-CB 4.36Å; Q47-C67 PolarHBondContact OE1-O 3.48Å; Q47-C67 VanDerWaalsContact OE1-O 3.07Å
68A94.1Very high92.9Very high6 Ų654.7 Ų54.75%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-152.9159.3174.700000110.3Q47 D48 M49 Q51 C73Q47-A68 CarbonylContact C-O 3.54Å; Q47-A68 WeakPolarHBondContact CA-O 3.39Å; D48-A68 PolarHBondContact N-O 3.32Å; M49-A68 PolarHBondContact N-O 3.35Å; M49-A68 PolarHBondContact O-N 2.92Å; Q51-A68 HydrophobicContact CB-CB 3.96Å; Q51-A68 VanDerWaalsContact OE1-CB 3.28Å; A68-C73 HydrophobicContact CB-CB 3.94Å
69S92.6Very high93Very high19 Ų1951.1 Ų51.113%0.13331%0.308CS..  trans-76.1151.9165.473.40000110.2V46 D48 S71 A72 C73V46-S69 WeakPolarHBondContact O-CA 3.45Å; V46-S69 WeakPolarHBondContact O-CB 3.41Å; D48-S69 WeakPolarHBondContact OD1-CA 3.16Å; S69-S71 PolarHBondContact O-N 2.91Å; S69-S71 PolarHBondContact OG-OG 3.06Å; S69-S71 VanDerWaalsContact OG-OG 3.06Å; S69-A72 PolarHBondContact O-N 2.02Å; S69-A72 WeakPolarHBondContact OG-CB 3.03Å; S69-A72 PolarHBondContact OG-N 3.23Å; S69-C73 WeakPolarHBondContact O-CB 2.97Å; S69-C73 PolarHBondContact O-N 3.44Å
70S90.2Very high93.1Very high30 Ų3048.7 Ų48.721%0.2129%0.287CS..Hα-helixtrans-49.8-44.3172.4-75.60000111.6D48 M49 L74D48-S70 PolarHBondContact OD1-N 3.23Å; D48-S70 PolarHBondContact OD1-OG 2.83Å; D48-S70 PolarHBondContact OD2-OG 2.03Å; M49-S70 WeakPolarHBondContact CE-OG 3.02Å; M49-S70 WeakPolarHBondContact CG-OG 3.03Å; M49-S70 PolarHBondContact SD-OG 2.81Å; S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.4Å; S70-L74 WeakPolarHBondContact O-CD1 3.47Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 2.95Å
71S90.3Very high93.1Very high75 Ų7554 Ų5452%0.52430%0.303SS..Hα-helixtrans-68-47179.5550000113S69 L74 I75S69-S71 PolarHBondContact O-N 2.91Å; S69-S71 PolarHBondContact OG-OG 3.06Å; S69-S71 VanDerWaalsContact OG-OG 3.06Å; S71-L74 PolarHBondContact O-N 3.48Å; S71-I75 WeakPolarHBondContact O-CB 3.47Å; S71-I75 WeakPolarHBondContact O-CD1 3.34Å; S71-I75 WeakPolarHBondContact O-CG1 3.33Å; S71-I75 PolarHBondContact O-N 2.93Å
72A92.5Very high92.9Very high43 Ų4358.6 Ų58.636%0.35532%0.323SS..Hα-helixtrans-63.5-46.9-178.600000110.9S69 L74 I75 S76S69-A72 PolarHBondContact O-N 2.02Å; S69-A72 WeakPolarHBondContact OG-CB 3.03Å; S69-A72 PolarHBondContact OG-N 3.23Å; A72-L74 PolarHBondContact O-N 3.23Å; A72-I75 PolarHBondContact O-N 2.03Å; A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 2.78Å
73C94.2Very high92.6Very high0 Ų062.7 Ų62.70%034%0.339CS..Hα-helixtrans-64.9-42.9179.9-162.70000111.4A68 S69 I75 S76 S77 C95A68-C73 HydrophobicContact CB-CB 3.94Å; S69-C73 WeakPolarHBondContact O-CB 2.97Å; S69-C73 PolarHBondContact O-N 3.44Å; C73-I75 PolarHBondContact O-N 3.35Å; C73-S76 PolarHBondContact O-N 3.49Å; C73-S77 WeakPolarHBondContact O-CB 3.18Å; C73-S77 PolarHBondContact O-N 3.04Å; C73-S77 PolarHBondContact O-OG 2.84Å; C73-C95 HydrophobicContact CB-CB 3.89Å; C73-C95 WeakPolarHBondContact CB-SG 3.26Å; C73-C95 PolarHBondContact O-SG 3.02Å; C73-C95 VanDerWaalsContact SG-CA 3.53Å; C73-C95 WeakPolarHBondContact SG-CB 3.39Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 3.4Å
74L91.1Very high92.5Very high100 Ų10063 Ų6352%0.52435%0.348SS..Hα-helixtrans-62.8-43.5177.9-74.8172.4000112.2S70 S71 A72 S77 S78S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.4Å; S70-L74 WeakPolarHBondContact O-CD1 3.47Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 2.95Å; S71-L74 PolarHBondContact O-N 3.48Å; A72-L74 PolarHBondContact O-N 3.23Å; L74-S77 WeakPolarHBondContact CA-OG 3.03Å; L74-S77 PolarHBondContact O-N 3.29Å; L74-S77 PolarHBondContact O-OG 3.49Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.69Å; L74-S78 PolarHBondContact O-OG 3.11Å
75I94.1Very high92.3Very high118 Ų11862.6 Ų62.661%0.60536%0.357SS*.Hα-helixtrans-58.2-52.7175-69.6163.4000110S71 A72 C73 S77 S78 G79S71-I75 WeakPolarHBondContact O-CB 3.47Å; S71-I75 WeakPolarHBondContact O-CD1 3.34Å; S71-I75 WeakPolarHBondContact O-CG1 3.33Å; S71-I75 PolarHBondContact O-N 2.93Å; A72-I75 PolarHBondContact O-N 2.03Å; C73-I75 PolarHBondContact O-N 3.35Å; I75-S77 PolarHBondContact O-N 2.82Å; I75-S78 PolarHBondContact O-N 2.86Å; I75-S78 PolarHBondContact O-OG 3.05Å; I75-G79 PolarHBondContact O-N 3.35Å; I75-G79 VanDerWaalsContact O-N 3.11Å
76S93.3Very high91.9Very high41 Ų4165.2 Ų65.229%0.28738%0.384SS..Hα-helixtrans-58.2-48.4178.1-640000111.8A72 C73 S78 G79 Y80A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 2.78Å; C73-S76 PolarHBondContact O-N 3.49Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 3.37Å; S76-G79 PolarHBondContact O-N 3.36Å; S76-Y80 WeakPolarHBondContact O-CD2 3.35Å; S76-Y80 PolarHBondContact O-N 2.63Å
77S94.2Very high91.7Very high26 Ų2671 Ų7118%0.18241%0.406CS..Hα-helixtrans-60.1-41.5-179.671.80000112.8C73 L74 I75 Y80 Q81C73-S77 WeakPolarHBondContact O-CB 3.18Å; C73-S77 PolarHBondContact O-N 3.04Å; C73-S77 PolarHBondContact O-OG 2.84Å; L74-S77 WeakPolarHBondContact CA-OG 3.03Å; L74-S77 PolarHBondContact O-N 3.29Å; L74-S77 PolarHBondContact O-OG 3.49Å; I75-S77 PolarHBondContact O-N 2.82Å; S77-Y80 PolarHBondContact O-N 3.21Å; S77-Q81 WeakPolarHBondContact O-CB 3.07Å; S77-Q81 PolarHBondContact O-N 3.26Å
78S92.6Very high91.4Very high69 Ų6975 Ų7548%0.48343%0.426SS..Hα-helixtrans-67.3-38.9179.770.20000112.7L74 I75 S76 Y80 Q81L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.69Å; L74-S78 PolarHBondContact O-OG 3.11Å; I75-S78 PolarHBondContact O-N 2.86Å; I75-S78 PolarHBondContact O-OG 3.05Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 3.37Å; S78-Y80 PolarHBondContact O-N 3.02Å; S78-Q81 PolarHBondContact O-N 3.38Å
79G92.1Very high91.1Very high42 Ų4280.4 Ų80.443%0.43345%0.45SS..Hα-helixtrans-67-36179.400000112.9I75 S76I75-G79 PolarHBondContact O-N 3.35Å; I75-G79 VanDerWaalsContact O-N 3.11Å; S76-G79 PolarHBondContact O-N 3.36Å
80Y91.3Very high91.1Very high114 Ų11479.6 Ų79.645%0.44744%0.444SS..Hα-helixtrans-92.4-8.8-179.7-72.9-85000114.3S76 S77 S78 Q82 F83 C84 V91 I93S76-Y80 WeakPolarHBondContact O-CD2 3.35Å; S76-Y80 PolarHBondContact O-N 2.63Å; S77-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 PolarHBondContact O-N 3.02Å; Y80-Q82 PolarHBondContact O-N 3.01Å; Y80-Q82 VanDerWaalsContact O-N 3.15Å; Y80-F83 CarbonylContact O-C 3.56Å; Y80-F83 WeakPolarHBondContact O-CA 3.37Å; Y80-F83 PolarHBondContact O-N 3.06Å; Y80-C84 PolarHBondContact O-N 3.37Å; Y80-V91 HydrophobicContact CD1-CB 3.7Å; Y80-V91 HydrophobicContact CD1-CG1 3.83Å; Y80-V91 HydrophobicContact CD1-CG2 4.36Å; Y80-V91 HydrophobicContact CE1-CB 4.14Å; Y80-V91 HydrophobicContact CE1-CG1 4.16Å; Y80-V91 HydrophobicContact CE1-CG2 4.34Å; Y80-V91 HydrophobicContact CG-CB 4.41Å; Y80-V91 HydrophobicContact CG-CG1 4.18Å; Y80-I93 HydrophobicContact CD2-CD1 3.39Å; Y80-I93 HydrophobicContact CD2-CG1 4.36Å; Y80-I93 HydrophobicContact CE2-CD1 3.99Å; Y80-I93 HydrophobicContact CG-CD1 3.9Å; Y80-I93 HydrophobicContact CG-CG1 4.42Å
81Q90.2Very high91.2Very high146 Ų14679.5 Ų79.568%0.68244%0.442SS*.THydrogen-bonded Turntrans-56-37.1-176.1-171.4172.44.900112.8S77 S78 F83S77-Q81 WeakPolarHBondContact O-CB 3.07Å; S77-Q81 PolarHBondContact O-N 3.26Å; S78-Q81 PolarHBondContact O-N 3.38Å; Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 2.8Å
82Q88.8Confident91.4Very high168 Ų16877.1 Ų77.179%0.78543%0.425SS*.THydrogen-bonded Turntrans-70.3-23.6177.8-64-178-40.500113.1Y80Y80-Q82 PolarHBondContact O-N 3.01Å; Y80-Q82 VanDerWaalsContact O-N 3.15Å
83F88.1Confident91.6Very high125 Ų12576.2 Ų76.255%0.54841%0.414SS..THydrogen-bonded Turntrans-99.9-11.4-177.6-54.3-72.2000113Y80 Q81 T85 S90Y80-F83 CarbonylContact O-C 3.56Å; Y80-F83 WeakPolarHBondContact O-CA 3.37Å; Y80-F83 PolarHBondContact O-N 3.06Å; Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 2.8Å; F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 3.03Å; F83-S90 VanDerWaalsContact O-CB 3.31Å; F83-S90 WeakPolarHBondContact O-CB 3.39Å
84C91.9Very high91.6Very high56 Ų5679.1 Ų79.138%0.37843%0.434SS..  trans-74.382.9175.8177.30000111.2Y80 V91 C92Y80-C84 PolarHBondContact O-N 3.37Å; C84-V91 WeakPolarHBondContact CA-O 3.29Å; C84-V91 WeakPolarHBondContact CB-O 3.46Å; C84-C92 WeakPolarHBondContact CA-SG 3.19Å; C84-C92 HydrophobicContact CB-CB 3.99Å; C84-C92 WeakPolarHBondContact CB-SG 3.32Å; C84-C92 VanDerWaalsContact SG-CA 3.54Å; C84-C92 WeakPolarHBondContact SG-CB 3.36Å; C84-C92 CovalentContact SG-SG 2.04Å; C84-C92 PolarHBondContact SG-SG 3.43Å
85T91.4Very high91.8Very high93 Ų9376.2 Ų76.257%0.57142%0.422SS*.  trans-98-11.3174.962.40000113.3F83 K87 S90F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 3.03Å; T85-K87 PolarHBondContact O-N 3.01Å; T85-K87 PolarHBondContact OG1-N 3.28Å; T85-S90 WeakPolarHBondContact OG1-CB 3.41Å
86G87.1Confident91.8Very high56 Ų5672.1 Ų72.158%0.57740%0.404SS*.SBendtrans70.410.5-172.900000114.1S90G86-S90 VanDerWaalsContact CA-OG 3.29Å; G86-S90 WeakPolarHBondContact CA-OG 3.4Å; G86-S90 PolarHBondContact N-OG 2.75Å; G86-S90 VanDerWaalsContact N-OG 3.12Å
87K89.9Confident91.7Very high153 Ų15373.8 Ų73.867%0.66542%0.415SS*.SBendtrans-104.9178.1177.5-62.5-175.6179.7-179.90110.9V56 T85 H89 S90V56-K87 VanDerWaalsContact CB-O 3.3Å; V56-K87 WeakPolarHBondContact CB-O 3.36Å; T85-K87 PolarHBondContact O-N 3.01Å; T85-K87 PolarHBondContact OG1-N 3.28Å; K87-H89 PolarHBondContact O-N 3.21Å; K87-S90 PolarHBondContact N-OG 2.95Å; K87-S90 VanDerWaalsContact N-OG 3.1Å; K87-S90 WeakPolarHBondContact O-CB 3.12Å; K87-S90 PolarHBondContact O-N 3Å; K87-S90 PolarHBondContact O-OG 3.23Å
88L89.7Confident91.6Very high96 Ų9676.5 Ų76.550%0.50343%0.43SS..THydrogen-bonded Turntrans-47.9137.2173.4-154.584.6000111.4D58 S90D58-L88 WeakPolarHBondContact OD1-CD2 3.25Å; L88-S90 PolarHBondContact O-N 2.99Å
89H88.1Confident91.6Very high119 Ų11977.4 Ų77.455%0.55144%0.435SS*.THydrogen-bonded Turntrans59.119.4-172.9-48.6-65.8000115.6V56 D58 K87V56-H89 WeakPolarHBondContact O-CA 3.39Å; V56-H89 PolarHBondContact O-N 3Å; D58-H89 IonicContact OD1-CE1 3.93Å; D58-H89 IonicContact OD1-NE2 2.75Å; D58-H89 IonicContact OD2-CE1 3.9Å; D58-H89 PolarHBondContact OD2-CE1 3.4Å; D58-H89 VanDerWaalsContact OD2-CE1 3.3Å; D58-H89 IonicContact OD2-NE2 2.73Å; K87-H89 PolarHBondContact O-N 3.21Å
90S91.7Very high91.6Very high1 Ų178.2 Ų78.21%0.00743%0.429CS..  trans-88.9142.5170.973.30000111.6V56 F83 T85 G86 K87 L88V56-S90 PolarHBondContact N-O 3.49Å; F83-S90 VanDerWaalsContact O-CB 3.31Å; F83-S90 WeakPolarHBondContact O-CB 3.39Å; T85-S90 WeakPolarHBondContact OG1-CB 3.41Å; G86-S90 VanDerWaalsContact CA-OG 3.29Å; G86-S90 WeakPolarHBondContact CA-OG 3.4Å; G86-S90 PolarHBondContact N-OG 2.75Å; G86-S90 VanDerWaalsContact N-OG 3.12Å; K87-S90 PolarHBondContact N-OG 2.95Å; K87-S90 VanDerWaalsContact N-OG 3.1Å; K87-S90 WeakPolarHBondContact O-CB 3.12Å; K87-S90 PolarHBondContact O-N 3Å; K87-S90 PolarHBondContact O-OG 3.23Å; L88-S90 PolarHBondContact O-N 2.99Å
91V93.5Very high91.7Very high28 Ų2874.7 Ų74.717%0.1742%0.42CS..EExtended strand (participates in β ladder)trans-118.1121.3171.9-179.30000107.5V54 L55 Y80 C84 I93V54-V91 WeakPolarHBondContact O-CA 3.48Å; L55-V91 HydrophobicContact CG-CG1 4.32Å; L55-V91 HydrophobicContact CG-CG2 4.24Å; Y80-V91 HydrophobicContact CD1-CB 3.7Å; Y80-V91 HydrophobicContact CD1-CG1 3.83Å; Y80-V91 HydrophobicContact CD1-CG2 4.36Å; Y80-V91 HydrophobicContact CE1-CB 4.14Å; Y80-V91 HydrophobicContact CE1-CG1 4.16Å; Y80-V91 HydrophobicContact CE1-CG2 4.34Å; Y80-V91 HydrophobicContact CG-CB 4.41Å; Y80-V91 HydrophobicContact CG-CG1 4.18Å; C84-V91 WeakPolarHBondContact CA-O 3.29Å; C84-V91 WeakPolarHBondContact CB-O 3.46Å; V91-I93 HydrophobicContact CG1-CD1 4.4Å; V91-I93 HydrophobicContact CG1-CG1 4.05Å
92C94.9Very high91.9Very high25 Ų2567.9 Ų67.917%0.16939%0.389CS..EExtended strand (participates in β ladder)trans-117.5113.8-179.9-72.40000109.9E53 V54 C84E53-C92 CarbonylContact C-O 3.56Å; E53-C92 VanDerWaalsContact CA-O 3.28Å; E53-C92 WeakPolarHBondContact CA-O 3.44Å; V54-C92 HydrophobicContact CB-CB 4.37Å; V54-C92 PolarHBondContact N-O 3.21Å; V54-C92 PolarHBondContact O-N 3.07Å; C84-C92 WeakPolarHBondContact CA-SG 3.19Å; C84-C92 HydrophobicContact CB-CB 3.99Å; C84-C92 WeakPolarHBondContact CB-SG 3.32Å; C84-C92 VanDerWaalsContact SG-CA 3.54Å; C84-C92 WeakPolarHBondContact SG-CB 3.36Å; C84-C92 CovalentContact SG-SG 2.04Å; C84-C92 PolarHBondContact SG-SG 3.43Å
93I95.7Very high92.1Very high24 Ų2460.2 Ų60.212%0.12336%0.355CS..EExtended strand (participates in β ladder)trans-108133.4-179.8-52.4-173.5000109.1Q51 K52 E53 Y80 V91Q51-I93 HydrophobicContact CG-CG2 4.21Å; K52-I93 CarbonylContact O-C 3.52Å; K52-I93 WeakPolarHBondContact O-CA 3.21Å; E53-I93 HydrophobicContact CB-CG1 4.4Å; E53-I93 HydrophobicContact CG-CB 4.49Å; E53-I93 HydrophobicContact CG-CD1 4.3Å; E53-I93 HydrophobicContact CG-CG1 3.94Å; E53-I93 HydrophobicContact CG-CG2 4.26Å; Y80-I93 HydrophobicContact CD2-CD1 3.39Å; Y80-I93 HydrophobicContact CD2-CG1 4.36Å; Y80-I93 HydrophobicContact CE2-CD1 3.99Å; Y80-I93 HydrophobicContact CG-CD1 3.9Å; Y80-I93 HydrophobicContact CG-CG1 4.42Å; V91-I93 HydrophobicContact CG1-CD1 4.4Å; V91-I93 HydrophobicContact CG1-CG1 4.05Å
94S94.4Very high91.9Very high62 Ų6257 Ų5743%0.43435%0.347SS..EExtended strand (participates in β ladder)trans-133.5144.2177.457.60000111.1K52K52-S94 PolarHBondContact N-O 3.42Å; K52-S94 PolarHBondContact O-N 3.17Å; K52-S94 PolarHBondContact O-OG 3.07Å
95C94.8Very high91.1Very high38 Ų3865.6 Ų65.626%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-125.8142.5-174.7-52.40000110M49 C50 C73M49-C95 HydrophobicContact SD-CB 4.3Å; C50-C95 WeakPolarHBondContact O-CA 3.48Å; C73-C95 HydrophobicContact CB-CB 3.89Å; C73-C95 WeakPolarHBondContact CB-SG 3.26Å; C73-C95 PolarHBondContact O-SG 3.02Å; C73-C95 VanDerWaalsContact SG-CA 3.53Å; C73-C95 WeakPolarHBondContact SG-CB 3.39Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 3.4Å
96C93.9Very high89.8Confident33 Ų3369.4 Ų69.422%0.22338%0.382CS..EExtended strand (participates in β ladder)trans-155.6147.7175.848.90000111.9M49 C50 C101M49-C96 CarbonylContact C-O 3.53Å; M49-C96 WeakPolarHBondContact CA-O 3.36Å; M49-C96 WeakPolarHBondContact CB-O 3.39Å; C50-C96 PolarHBondContact N-O 3.33Å; C50-C96 PolarHBondContact O-N 3.12Å; C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.46Å; C96-C101 PolarHBondContact O-SG 3.06Å; C96-C101 WeakPolarHBondContact SG-CB 3.47Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.15Å
97S91.9Very high88.2Confident75 Ų7576.6 Ų76.652%0.52440%0.398SS..  trans-103.813.8-176.448.60000114.1
98T91.5Very high86.4Confident83 Ų8380.6 Ų80.651%0.50941%0.409SS..SBendtrans-101.9142.1177.543.30000109.8L100 C101T98-L100 PolarHBondContact O-N 3.11Å; T98-C101 WeakPolarHBondContact O-CB 2.98Å; T98-C101 PolarHBondContact O-N 2.81Å; T98-C101 PolarHBondContact O-SG 3.19Å; T98-C101 WeakPolarHBondContact OG1-CB 3.23Å
99P92.1Very high84.6Confident88 Ų8886.9 Ų86.957%0.57143%0.426SS*.THydrogen-bonded Turntrans-59.5137.8-178.324.6-33.1000110.5I22 Q23 C101I22-P99 HydrophobicContact CG1-CB 4.2Å; Q23-P99 CarbonylContact O-C 3.6Å; Q23-P99 WeakPolarHBondContact O-CA 3.29Å; P99-C101 PolarHBondContact O-N 2.75Å; P99-C101 VanDerWaalsContact O-N 3.13Å
100L93.1Very high82.4Confident59 Ų5986.9 Ų86.931%0.30944%0.436SS..THydrogen-bonded Turntrans62.214.8177.3-51.2178.4000114.7Q23 Y25 I39 T98 N102 G103Q23-L100 HydrophobicContact CB-CD2 3.77Å; Q23-L100 HydrophobicContact CB-CG 4.34Å; Q23-L100 PolarHBondContact O-N 3.5Å; Y25-L100 HydrophobicContact CD2-CD2 4.43Å; Y25-L100 HydrophobicContact CE2-CB 3.98Å; Y25-L100 HydrophobicContact CE2-CD2 4.14Å; I39-L100 HydrophobicContact CB-CD2 4.42Å; I39-L100 HydrophobicContact CD1-CD1 4.35Å; I39-L100 HydrophobicContact CD1-CD2 3.94Å; I39-L100 HydrophobicContact CG1-CD2 3.95Å; I39-L100 HydrophobicContact CG2-CD2 3.65Å; T98-L100 PolarHBondContact O-N 3.11Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 3.24Å; L100-G103 PolarHBondContact O-N 3.02Å
101C93.6Very high80.4Confident40 Ų4094.6 Ų94.627%0.2748%0.476SS..THydrogen-bonded Turntrans-67.8-22.7-173.964.20000114.6C96 T98 P99 G103C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.46Å; C96-C101 PolarHBondContact O-SG 3.06Å; C96-C101 WeakPolarHBondContact SG-CB 3.47Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.15Å; T98-C101 WeakPolarHBondContact O-CB 2.98Å; T98-C101 PolarHBondContact O-N 2.81Å; T98-C101 PolarHBondContact O-SG 3.19Å; T98-C101 WeakPolarHBondContact OG1-CB 3.23Å; P99-C101 PolarHBondContact O-N 2.75Å; P99-C101 VanDerWaalsContact O-N 3.13Å; C101-G103 PolarHBondContact O-N 2.77Å
102N94.6Very high78Confident3 Ų398.2 Ų98.22%0.01650%0.501CS..THydrogen-bonded Turntrans-80.94.1173.468.1-20.4000113.2Y25 C50 Q51 K52 K65 L100Y25-N102 PolarHBondContact N-OD1 3.13Å; Y25-N102 PolarHBondContact O-ND2 3.16Å; C50-N102 HydrophobicContact CB-CB 3.78Å; Q51-N102 PolarHBondContact O-ND2 3.45Å; Q51-N102 VanDerWaalsContact O-ND2 3.12Å; K52-N102 HydrophobicContact CB-CB 4Å; K65-N102 VanDerWaalsContact CD-O 3.31Å; K65-N102 WeakPolarHBondContact CD-O 3.09Å; K65-N102 WeakPolarHBondContact CE-O 3.13Å; K65-N102 PolarHBondContact NZ-O 3.23Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 3.24Å
103G91.3Very high76.2Confident8 Ų8102.5 Ų102.58%0.08253%0.531CS..SBendtrans-67-176174.900000114.2Y25 L100 C101 R105Y25-G103 VanDerWaalsContact CE2-CA 3.42Å; L100-G103 PolarHBondContact O-N 3.02Å; C101-G103 PolarHBondContact O-N 2.77Å; G103-R105 PolarHBondContact O-N 3.33Å
104P84.8Confident74Confident57 Ų57106.9 Ų106.937%0.3756%0.564SS.*SBendtrans-55.3136.1174.726-36.2000109.7D32 A34 Q106D32-P104 WeakPolarHBondContact OD2-CA 3.41Å; A34-P104 HydrophobicContact CB-CB 4.1Å; A34-P104 HydrophobicContact CB-CG 3.71Å; P104-Q106 PolarHBondContact O-N 3.39Å
105R75.2Confident71.5Confident237 Ų237107.5 Ų107.589%0.89458%0.58SS**  trans-60.3111.2174.9-78.5-156.6-161.6-172.48.2108.1G103 K107G103-R105 PolarHBondContact O-N 3.33Å; R105-K107 PolarHBondContact O-N 3.42Å
106Q64.4Low69.4Low172 Ų172110.7 Ų110.780%0.80461%0.609SS**  trans-53.4111.4158.5-66.2-81.3-13.200105.7P104 R108P104-Q106 PolarHBondContact O-N 3.39Å; Q106-R108 VanDerWaalsContact C-N 3.25Å; Q106-R108 PolarHBondContact O-N 3.36Å
107K53.4Low67.2Low208 Ų208112.6 Ų112.690%0.90463%0.627SS**  trans-57.598.5168.8-96.1-179.7176.7175.20105.5R105 R109R105-K107 PolarHBondContact O-N 3.42Å; K107-R109 PolarHBondContact O-N 2.89Å
108R51.3Low65.2Low236 Ų236114.4 Ų114.489%0.89164%0.637SS**  trans-58.9105.6174-76-171.2-164.2177.54.8106.2Q106Q106-R108 VanDerWaalsContact C-N 3.25Å; Q106-R108 PolarHBondContact O-N 3.36Å
109R53.3Low63.5Low229 Ų229116.7 Ų116.786%0.86465%0.651SS**PPolyproline II helixtrans-55.4128.9152.2-156.9174.5-164.1-177.93.6104.8K107 L111K107-R109 PolarHBondContact O-N 2.89Å; R109-L111 PolarHBondContact O-N 2.67Å
110P40.7Very low61.9Low119 Ų119114.7 Ų114.777%0.77365%0.647SS**PPolyproline II helixtrans-52.1118.8-179.116.6-27.9000108.5
111L50.1Low60.1Low162 Ų162117.6 Ų117.685%0.84866%0.662SS**PPolyproline II helixtrans-68.7125.5177.5-16872.6000106.5R109 S113R109-L111 PolarHBondContact O-N 2.67Å; L111-S113 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact O-N 3.17Å
112P43.6Very low58.5Low104 Ų104120.6 Ų120.668%0.67568%0.681SS**PPolyproline II helixtrans-59.5123.9169.623.3-29.5000108.2S114P112-S114 PolarHBondContact O-N 3.1Å
113S56.3Low56.8Low116 Ų116126.4 Ų126.481%0.81171%0.711SS**  trans-59.2102.2169.948.60000109.3L111L111-S113 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact O-N 3.17Å
114S49.9Very low55.3Low116 Ų116131.1 Ų131.181%0.81173%0.734SS**  trans-163126.5168.8-78.50000111.6P112P112-S114 PolarHBondContact O-N 3.1Å
115G42.5Very low54.2Low75 Ų75133.8 Ų133.877%0.77374%0.743SS**  trans105.698.5155.900000115A117G115-A117 PolarHBondContact O-N 2.93Å
116A49.9Very low53.6Low104 Ų104127.5 Ų127.586%0.8673%0.726SS**  trans-50.8125.8160.300000110.1
117A48.5Very low53.7Low74 Ų74122.8 Ų122.861%0.61271%0.71SS**  trans-72.2132.716900000109.1G115 T119G115-A117 PolarHBondContact O-N 2.93Å; A117-T119 PolarHBondContact O-N 3Å
118P49.4Very low54.2Low113 Ų113117.4 Ų117.473%0.73469%0.69SS**  trans-78.292.8175.231.4-30.3000108.9G120P118-G120 PolarHBondContact O-N 3.44Å
119T56.1Low54.8Low130 Ų130111.7 Ų111.780%0.79868%0.676SS**THydrogen-bonded Turntrans-84.325.3176.746.10000113.6A117A117-T119 PolarHBondContact O-N 3Å
120G56.9Low55.2Low47 Ų47103.8 Ų103.849%0.48565%0.651SS.*THydrogen-bonded Turntrans-106-19.8-17100000117P118 L124P118-G120 PolarHBondContact O-N 3.44Å; G120-L124 PolarHBondContact O-N 3.35Å
121L55.3Low56.2Low119 Ų119103.3 Ų103.362%0.62364%0.641SS**Hα-helixtrans-74.1-39.7-168.9-77153.1000115.9L123 M125L121-L123 PolarHBondContact O-N 3.5Å; L121-M125 WeakPolarHBondContact O-CG 3.37Å; L121-M125 PolarHBondContact O-N 3.3Å
122P60.6Low56.8Low103 Ų103100.9 Ų100.967%0.66963%0.629SS**Hα-helixtrans-73.9-28.6-175.726.7-31.2000112.8L126P122-L126 PolarHBondContact O-N 3.13Å
123L58.7Low57.4Low126 Ų12698.6 Ų98.666%0.6662%0.616SS**Hα-helixtrans-75.9-39.9179.6-152.682.2000111.6L121 L126 V127L121-L123 PolarHBondContact O-N 3.5Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 2.83Å
124L59.8Low57.6Low107 Ų10797.9 Ų97.956%0.5660%0.602SS**Hα-helixtrans-65-41.5179.6-164.382.8000111.8G120 L126 V127 L128G120-L124 PolarHBondContact O-N 3.35Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L124-V127 PolarHBondContact O-N 3.28Å; L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 PolarHBondContact O-N 2.99Å
125M61.4Low58Low112 Ų112100 Ų10055%0.55260%0.603SS**Hα-helixtrans-67.1-36.1177.6-66.2-59.4-69.900112.2L121 L129L121-M125 WeakPolarHBondContact O-CG 3.37Å; L121-M125 PolarHBondContact O-N 3.3Å; M125-L129 WeakPolarHBondContact O-CG 3.36Å; M125-L129 PolarHBondContact O-N 3.42Å
126L62.8Low58.4Low105 Ų105102 Ų10255%0.5560%0.604SS.*Hα-helixtrans-67.2-41.7176.2-164.865.1000111.2P122 L123 L124 L129 L130P122-L126 PolarHBondContact O-N 3.13Å; L123-L126 PolarHBondContact O-N 2.92Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L126-L129 PolarHBondContact O-N 3.09Å; L126-L130 HydrophobicContact CG-CD1 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CD1 3.45Å; L126-L130 PolarHBondContact O-N 2.91Å; L126-L130 VanDerWaalsContact O-N 3.12Å
127V66.1Low58.8Low74 Ų74101.9 Ų101.945%0.44859%0.591SS.*Hα-helixtrans-65.7-40.5177.3172.30000112L123 L124 L130 L131L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 2.83Å; L124-V127 PolarHBondContact O-N 3.28Å; V127-L130 WeakPolarHBondContact O-CB 3.38Å; V127-L130 PolarHBondContact O-N 3.35Å; V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 VanDerWaalsContact O-CD1 3.26Å; V127-L131 WeakPolarHBondContact O-CD1 3.34Å; V127-L131 PolarHBondContact O-N 2.73Å
128L64.6Low59.3Low95 Ų95103.4 Ų103.450%0.49759%0.59SS.*Hα-helixtrans-63.1-44.6176.5-84.1156.2000112.5L124 L130 L131 D132L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 PolarHBondContact O-N 2.99Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.93Å; L128-L131 PolarHBondContact O-N 3.44Å; L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.11Å
129L63.7Low59.9Low115 Ų115102.8 Ų102.860%0.60258%0.582SS**Hα-helixtrans-63.6-34.4176.3-77.3162.8000112.8M125 L126 S133M125-L129 WeakPolarHBondContact O-CG 3.36Å; M125-L129 PolarHBondContact O-N 3.42Å; L126-L129 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 2.99Å
130L61.8Low60.1Low63 Ų63101.2 Ų101.233%0.3357%0.57SS.*Hα-helixtrans-67.7-40.8174.6-91.4150000112V6 L126 V127 L128 I134V6-L130 HydrophobicContact CG1-CD2 3.35Å; L126-L130 HydrophobicContact CG-CD1 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CD1 3.45Å; L126-L130 PolarHBondContact O-N 2.91Å; L126-L130 VanDerWaalsContact O-N 3.12Å; V127-L130 WeakPolarHBondContact O-CB 3.38Å; V127-L130 PolarHBondContact O-N 3.35Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.93Å; L130-I134 VanDerWaalsContact O-CD1 3.29Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.24Å; L130-I134 PolarHBondContact O-N 3.34Å
131L62.1Low60.3Low109 Ų109104.6 Ų104.657%0.57158%0.575SS**Hα-helixtrans-67.3-44177.7-98.279.6000112.6V127 L128 S133 I134 L135V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 VanDerWaalsContact O-CD1 3.26Å; V127-L131 WeakPolarHBondContact O-CD1 3.34Å; V127-L131 PolarHBondContact O-N 2.73Å; L128-L131 PolarHBondContact O-N 3.44Å; L131-S133 PolarHBondContact O-N 3.39Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-I134 VanDerWaalsContact O-N 3.13Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-L135 VanDerWaalsContact O-N 3.16Å
132D62.6Low60.6Low111 Ų111103.7 Ų103.759%0.59457%0.572SS**Hα-helixtrans-59.3-38.1178.5-120.2-66.6000111.8L128 I134 L135 C136L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.11Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.43Å; D132-L135 PolarHBondContact O-N 3.06Å; D132-C136 PolarHBondContact O-N 3.39Å
133S57.3Low60.6Low56 Ų56103.7 Ų103.739%0.39257%0.565SS.*Hα-helixtrans-75.9-12.9-180-58.10000114.5L129 L131L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 2.99Å; L131-S133 PolarHBondContact O-N 3.39Å
134I59.3Low60.8Low102 Ų102102 Ų10252%0.52356%0.557SS.*Hα-helixtrans-96.3-27176.4-64.2164.5000110.7L130 L131 D132L130-I134 VanDerWaalsContact O-CD1 3.29Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.24Å; L130-I134 PolarHBondContact O-N 3.34Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-I134 VanDerWaalsContact O-N 3.13Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.43Å
135L59.5Low60.8Low160 Ų160101.6 Ų101.684%0.83856%0.557SS**Hα-helixtrans-92-13.7-176.4-154.562.5000114L131 D132L131-L135 PolarHBondContact O-N 2.98Å; L131-L135 VanDerWaalsContact O-N 3.16Å; D132-L135 PolarHBondContact O-N 3.06Å
136C48.8Very low60.8Low117 Ų117100.6 Ų100.679%0.79156%0.558SS**  trans-112.90171.1-74.70000114.1R2 D132R2-C136 PolarHBondContact NE-OXT 3.31Å; R2-C136 VanDerWaalsContact NE-OXT 3.13Å; D132-C136 PolarHBondContact O-N 3.39Å

Retrieved 136 of 136 residues in 119.6 ms (Link to these results)