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Threonylcarbamoyl-AMP synthase

Cytoplasmic and mitochondrial threonylcarbamoyl-AMP synthase required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in tRNAs that read codons beginning with adenine. Catalyzes the conversion of L-threonine, HCO(3)(-)/CO(2) and ATP to give threonylcarbamoyl-AMP (TC-AMP) as the acyladenylate intermediate, with the release of diphosphate. Participates in t(6)A37 formation in cytoplasmic and mitochondrial tRNAs. May regulate the activity of some transporters.

AlphaFold DB , UniProt , Accession A0A077ZLB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M35.1Very low74.2Confident229 Ų22993.8 Ų93.8100%1.12854%0.536SS*.  0111.70-80.5-178.1-85.100107N3M1-N3 PolarHBondContact O-N 3.11Å; M1-N3 VanDerWaalsContact O-N 3.11Å
2V39.5Very low75.8Confident133 Ų13393 Ų9381%0.80653%0.525SS*.  trans-67.1111.2169-176.10000105K4V2-K4 PolarHBondContact O-N 3.26Å
3N45.1Very low77.4Confident142 Ų14292.3 Ų92.376%0.75954%0.538SS*.  trans-56.2106.4173.1-96-10.2000106.8M1 V5M1-N3 PolarHBondContact O-N 3.11Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-V5 WeakPolarHBondContact O-CG2 3.16Å; N3-V5 PolarHBondContact O-N 2.89Å
4K59Low78.7Confident111 Ų11194.6 Ų94.648%0.48354%0.542SS..  trans-73111.9176.5-67.7179.4178.4-171.60106.2V2 V6 F157 P158V2-K4 PolarHBondContact O-N 3.26Å; K4-V6 PolarHBondContact O-N 3.39Å; K4-F157 PolarHBondContact NZ-O 2.97Å; K4-P158 PolarHBondContact NZ-O 3.18Å
5V79.5Confident79.9Confident60 Ų6088.6 Ų88.636%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-90.2110.5-172.5-176.80000107.8N3 I7 L162 V163N3-V5 WeakPolarHBondContact O-CG2 3.16Å; N3-V5 PolarHBondContact O-N 2.89Å; V5-I7 HydrophobicContact CG1-CB 4.34Å; V5-I7 HydrophobicContact CG1-CG2 3.2Å; V5-L162 HydrophobicContact CB-CD1 4.22Å; V5-L162 HydrophobicContact CG1-CD1 4.41Å; V5-L162 WeakPolarHBondContact O-CD1 3.35Å; V5-V163 PolarHBondContact O-N 3.14Å
6V94.2Very high81Confident66 Ų6683.6 Ų83.640%0.448%0.479SS..EExtended strand (participates in β ladder)trans-84.3116.5154.2-175.70000105.4K4 F157 V163 D165K4-V6 PolarHBondContact O-N 3.39Å; V6-F157 HydrophobicContact CG2-CE1 3.83Å; V6-F157 HydrophobicContact CG2-CZ 4.18Å; V6-V163 CarbonylContact C-O 3.55Å; V6-V163 VanDerWaalsContact CA-O 3.31Å; V6-V163 WeakPolarHBondContact CA-O 3.46Å; V6-V163 HydrophobicContact CB-CB 4.46Å; V6-V163 HydrophobicContact CG1-CB 4.36Å; V6-V163 HydrophobicContact CG1-CG1 4.3Å; V6-V163 HydrophobicContact CG2-CB 4.1Å; V6-V163 HydrophobicContact CG2-CG2 4.47Å; V6-D165 HydrophobicContact CG1-CB 3.92Å
7I95Very high82Confident20 Ų2080.8 Ų80.810%0.10347%0.472CS..EExtended strand (participates in β ladder)trans-108.9141.617354.1174.5000110.5V5 C15 Q18 L162 V163 V164 D165V5-I7 HydrophobicContact CG1-CB 4.34Å; V5-I7 HydrophobicContact CG1-CG2 3.2Å; I7-C15 HydrophobicContact CD1-CB 4.15Å; I7-Q18 HydrophobicContact CD1-CB 4.42Å; I7-L162 HydrophobicContact CD1-CD1 4.07Å; I7-L162 HydrophobicContact CG1-CD1 4.02Å; I7-V163 PolarHBondContact N-O 2.91Å; I7-V164 HydrophobicContact CD1-CG2 4.14Å; I7-V164 HydrophobicContact CG1-CB 4.48Å; I7-V164 HydrophobicContact CG1-CG2 4.12Å; I7-V164 CarbonylContact O-C 3.31Å; I7-D165 PolarHBondContact O-N 2.99Å
8P95.2Very high82.9Confident83 Ų8379.6 Ų79.654%0.53946%0.461SS..EExtended strand (participates in β ladder)trans-71.1143.916930.6-33.8000111S10 C15 D165P8-S10 PolarHBondContact O-N 2.88Å; P8-C15 PolarHBondContact O-SG 2.77Å; P8-C15 VanDerWaalsContact O-SG 3.4Å; P8-D165 CarbonylContact C-O 3.57Å; P8-D165 WeakPolarHBondContact CA-O 3.47Å
9L94.7Very high83.7Confident55 Ų5575.4 Ų75.429%0.28844%0.437SS..THydrogen-bonded Turntrans-77.161.4172.5-171.455.8000111.2M12 C15 P32 F122 V164 D165L9-M12 HydrophobicContact CD1-CE 4.5Å; L9-M12 HydrophobicContact CD1-SD 4.42Å; L9-C15 HydrophobicContact CD1-CB 4.07Å; L9-P32 HydrophobicContact CD2-CG 4.01Å; L9-F122 HydrophobicContact CD1-CB 4.49Å; L9-F122 HydrophobicContact CD1-CD2 3.93Å; L9-F122 HydrophobicContact CD1-CE2 4.39Å; L9-F122 HydrophobicContact CD1-CG 4.1Å; L9-V164 HydrophobicContact CB-CG1 4.01Å; L9-V164 HydrophobicContact CD1-CG1 3.84Å; L9-V164 HydrophobicContact CG-CG1 4.36Å; L9-D165 PolarHBondContact N-O 3.16Å
10S88.7Confident84.4Confident105 Ų10572.2 Ų72.273%0.73442%0.418SS*.THydrogen-bonded Turntrans-116.7-25.6-179.356.60000113.4P8P8-S10 PolarHBondContact O-N 2.88Å
11G90.5Very high85Confident28 Ų2873 Ų7329%0.28943%0.427SS..  trans-11088.2174.100000111.8A13 E14 C15G11-A13 PolarHBondContact O-N 3.31Å; G11-E14 PolarHBondContact O-N 2.87Å; G11-E14 VanDerWaalsContact O-N 3.17Å; G11-C15 WeakPolarHBondContact O-CB 3.43Å; G11-C15 PolarHBondContact O-N 3.16Å; G11-C15 PolarHBondContact O-SG 3.34Å
12M93.7Very high88Confident84 Ų8463.7 Ų63.741%0.41438%0.384SS..Hα-helixtrans-53.7-51-169.5-170.961.669.900113.3L9 E14 C15 I16 F122L9-M12 HydrophobicContact CD1-CE 4.5Å; L9-M12 HydrophobicContact CD1-SD 4.42Å; M12-E14 PolarHBondContact O-N 3.41Å; M12-C15 PolarHBondContact O-N 3.16Å; M12-I16 HydrophobicContact CG-CD1 3.73Å; M12-I16 WeakPolarHBondContact O-CB 3.41Å; M12-I16 WeakPolarHBondContact O-CD1 3.35Å; M12-I16 WeakPolarHBondContact O-CG1 3.37Å; M12-I16 PolarHBondContact O-N 2.92Å; M12-I16 HydrophobicContact SD-CD1 4.01Å; M12-I16 HydrophobicContact SD-CG1 4.41Å; M12-F122 HydrophobicContact CE-CB 4.33Å; M12-F122 HydrophobicContact SD-CB 3.69Å; M12-F122 HydrophobicContact SD-CD2 3.96Å; M12-F122 HydrophobicContact SD-CG 4.31Å
13A96.3Very high90.8Very high84 Ų8457.4 Ų57.469%0.69435%0.346SS*.Hα-helixtrans-62.8-41.1-17900000112.7G11 G17G11-A13 PolarHBondContact O-N 3.31Å; A13-G17 PolarHBondContact O-N 3.47Å
14E95.5Very high93.3Very high125 Ų12556.6 Ų56.658%0.58434%0.336SS*.Hα-helixtrans-67.7-46177.5-177.2175.5-176.400111.5G11 M12 I16 G17 Q18G11-E14 PolarHBondContact O-N 2.87Å; G11-E14 VanDerWaalsContact O-N 3.17Å; M12-E14 PolarHBondContact O-N 3.41Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.33Å; E14-G17 PolarHBondContact O-N 3.2Å; E14-Q18 HydrophobicContact CG-CG 4.43Å; E14-Q18 WeakPolarHBondContact O-CG 3.3Å; E14-Q18 PolarHBondContact O-N 2.95Å; E14-Q18 PolarHBondContact OE1-NE2 3.47Å
15C96.8Very high95.1Very high4 Ų454.6 Ų54.63%0.02735%0.347CS..Hα-helixtrans-58-44.4177.2-66.10000111.1I7 P8 L9 G11 M12 A19 F122I7-C15 HydrophobicContact CD1-CB 4.15Å; P8-C15 PolarHBondContact O-SG 2.77Å; P8-C15 VanDerWaalsContact O-SG 3.4Å; L9-C15 HydrophobicContact CD1-CB 4.07Å; G11-C15 WeakPolarHBondContact O-CB 3.43Å; G11-C15 PolarHBondContact O-N 3.16Å; G11-C15 PolarHBondContact O-SG 3.34Å; M12-C15 PolarHBondContact O-N 3.16Å; C15-A19 VanDerWaalsContact O-CB 3.28Å; C15-A19 WeakPolarHBondContact O-CB 3.44Å; C15-A19 PolarHBondContact O-N 3.02Å; C15-F122 HydrophobicContact CB-CD2 4.28Å; C15-F122 HydrophobicContact CB-CE2 3.79Å
16I98.1Very high96Very high9 Ų951.8 Ų51.85%0.04633%0.33CS..Hα-helixtrans-62.3-50.4176.7-68.1161.1000109.7M12 E14 Q18 A19 V20 F122 E125 V126M12-I16 HydrophobicContact CG-CD1 3.73Å; M12-I16 WeakPolarHBondContact O-CB 3.41Å; M12-I16 WeakPolarHBondContact O-CD1 3.35Å; M12-I16 WeakPolarHBondContact O-CG1 3.37Å; M12-I16 PolarHBondContact O-N 2.92Å; M12-I16 HydrophobicContact SD-CD1 4.01Å; M12-I16 HydrophobicContact SD-CG1 4.41Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.33Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 3.04Å; I16-A19 PolarHBondContact O-N 2.66Å; I16-V20 HydrophobicContact CG2-CG2 3.96Å; I16-V20 WeakPolarHBondContact O-CB 3.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.37Å; I16-V20 PolarHBondContact O-N 3.2Å; I16-F122 HydrophobicContact CG1-CD2 3.67Å; I16-F122 HydrophobicContact CG1-CE2 3.96Å; I16-E125 HydrophobicContact CD1-CB 3.85Å; I16-E125 HydrophobicContact CD1-CG 3.69Å; I16-E125 HydrophobicContact CG1-CB 4.46Å; I16-E125 HydrophobicContact CG1-CG 4.48Å; I16-E125 HydrophobicContact CG2-CG 4.13Å; I16-V126 HydrophobicContact CB-CG2 4.4Å; I16-V126 HydrophobicContact CG1-CG2 4.22Å; I16-V126 HydrophobicContact CG2-CG2 4.19Å
17G97.7Very high96.1Very high35 Ų3549.1 Ų49.136%0.36132%0.316SS..Hα-helixtrans-57.5-44.8-179.800000112.9A13 E14 C21A13-G17 PolarHBondContact O-N 3.47Å; E14-G17 PolarHBondContact O-N 3.2Å; G17-C21 VanDerWaalsContact O-CB 3.23Å; G17-C21 WeakPolarHBondContact O-CB 3.35Å; G17-C21 PolarHBondContact O-N 2.98Å
18Q97.2Very high96.3Very high59 Ų5948.5 Ų48.528%0.27631%0.313SS..Hα-helixtrans-65.7-45.8176.5-68.5-166.79.400111.9I7 E14 I16 C21 C22 L162I7-Q18 HydrophobicContact CD1-CB 4.42Å; E14-Q18 HydrophobicContact CG-CG 4.43Å; E14-Q18 WeakPolarHBondContact O-CG 3.3Å; E14-Q18 PolarHBondContact O-N 2.95Å; E14-Q18 PolarHBondContact OE1-NE2 3.47Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 3.04Å; Q18-C21 PolarHBondContact O-N 3.13Å; Q18-C22 WeakPolarHBondContact O-CB 3.16Å; Q18-C22 PolarHBondContact O-N 3.07Å; Q18-C22 PolarHBondContact O-SG 3.07Å; Q18-C22 VanDerWaalsContact O-SG 3.34Å; Q18-L162 HydrophobicContact CB-CD2 4.08Å
19A97.9Very high96.4Very high0 Ų044.6 Ų44.60%029%0.287CS..Hα-helixtrans-62.5-45178.400000112.2C15 I16 C22 L23 V29 F122 V126 L162C15-A19 VanDerWaalsContact O-CB 3.28Å; C15-A19 WeakPolarHBondContact O-CB 3.44Å; C15-A19 PolarHBondContact O-N 3.02Å; I16-A19 PolarHBondContact O-N 2.66Å; A19-C22 PolarHBondContact O-N 3.36Å; A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 WeakPolarHBondContact O-CD1 3.44Å; A19-L23 VanDerWaalsContact O-CG 3.24Å; A19-L23 WeakPolarHBondContact O-CG 3.48Å; A19-L23 PolarHBondContact O-N 3.04Å; A19-V29 HydrophobicContact CB-CG1 4.26Å; A19-F122 HydrophobicContact CB-CE2 4.43Å; A19-F122 HydrophobicContact CB-CZ 3.97Å; A19-V126 HydrophobicContact CB-CG1 4.37Å; A19-V126 HydrophobicContact CB-CG2 3.96Å; A19-L162 HydrophobicContact CB-CD2 4.03Å
20V98.4Very high96.5Very high12 Ų1242 Ų427%0.07327%0.273CS..Hα-helixtrans-61.4-45.5176.7172.60000110.6I16 L23 K24 V126 Q129 V130I16-V20 HydrophobicContact CG2-CG2 3.96Å; I16-V20 WeakPolarHBondContact O-CB 3.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.37Å; I16-V20 PolarHBondContact O-N 3.2Å; V20-L23 PolarHBondContact O-N 2.79Å; V20-K24 HydrophobicContact CG1-CD 4.08Å; V20-K24 HydrophobicContact CG1-CG 4.41Å; V20-K24 WeakPolarHBondContact O-CB 3.23Å; V20-K24 WeakPolarHBondContact O-CG 3.44Å; V20-K24 PolarHBondContact O-N 3.47Å; V20-V126 HydrophobicContact CG2-CB 4.48Å; V20-V126 HydrophobicContact CG2-CG1 4.22Å; V20-V126 HydrophobicContact CG2-CG2 4.47Å; V20-Q129 HydrophobicContact CG1-CB 4.14Å; V20-Q129 HydrophobicContact CG2-CB 3.61Å; V20-V130 HydrophobicContact CB-CG2 4.45Å; V20-V130 HydrophobicContact CG1-CG2 4.24Å; V20-V130 HydrophobicContact CG2-CG2 4.24Å
21C97.8Very high97Very high90 Ų9037 Ų3761%0.60824%0.238SC*.Hα-helixtrans-59.8-48.9177.1-174.90000111.3G17 Q18 L23 K24 G25G17-C21 VanDerWaalsContact O-CB 3.23Å; G17-C21 WeakPolarHBondContact O-CB 3.35Å; G17-C21 PolarHBondContact O-N 2.98Å; Q18-C21 PolarHBondContact O-N 3.13Å; C21-L23 PolarHBondContact O-N 2.93Å; C21-K24 PolarHBondContact O-N 3.05Å; C21-G25 PolarHBondContact O-N 3.42Å
22C97.6Very high97.3Very high33 Ų3336.4 Ų36.422%0.22323%0.229CC..Hα-helixtrans-59.9-47.1177.1-72.40000112.1Q18 A19 G25 G26 G27 V29 L162Q18-C22 WeakPolarHBondContact O-CB 3.16Å; Q18-C22 PolarHBondContact O-N 3.07Å; Q18-C22 PolarHBondContact O-SG 3.07Å; Q18-C22 VanDerWaalsContact O-SG 3.34Å; A19-C22 PolarHBondContact O-N 3.36Å; C22-G25 CarbonylContact O-C 3.53Å; C22-G25 PolarHBondContact O-N 2.82Å; C22-G26 PolarHBondContact O-N 3.42Å; C22-G27 WeakPolarHBondContact O-CA 3.44Å; C22-G27 PolarHBondContact O-N 3.06Å; C22-V29 HydrophobicContact CB-CG2 3.68Å; C22-L162 HydrophobicContact CB-CB 4.42Å
23L98.3Very high97.5Very high0 Ų033 Ų330%021%0.213CC..Hα-helixtrans-64.4-45.5-179-73.2165.6000111.9A19 V20 C21 G25 G26 V29 A40 T42 V126 V130 L134A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 WeakPolarHBondContact O-CD1 3.44Å; A19-L23 VanDerWaalsContact O-CG 3.24Å; A19-L23 WeakPolarHBondContact O-CG 3.48Å; A19-L23 PolarHBondContact O-N 3.04Å; V20-L23 PolarHBondContact O-N 2.79Å; C21-L23 PolarHBondContact O-N 2.93Å; L23-G25 PolarHBondContact O-N 3.15Å; L23-G26 WeakPolarHBondContact O-CA 3.43Å; L23-G26 PolarHBondContact O-N 3.45Å; L23-V29 HydrophobicContact CD1-CG2 4.42Å; L23-V29 HydrophobicContact CD2-CB 4.28Å; L23-V29 HydrophobicContact CD2-CG2 3.91Å; L23-V29 HydrophobicContact CG-CB 4.38Å; L23-V29 HydrophobicContact CG-CG2 3.7Å; L23-A40 WeakPolarHBondContact CD2-O 3.38Å; L23-T42 HydrophobicContact CB-CG2 4.18Å; L23-T42 WeakPolarHBondContact O-CG2 3.3Å; L23-V126 HydrophobicContact CD1-CG1 3.44Å; L23-V126 VanDerWaalsContact CD1-CG1 3.44Å; L23-V130 HydrophobicContact CB-CG2 4.03Å; L23-V130 HydrophobicContact CD1-CG2 3.99Å; L23-L134 HydrophobicContact CD1-CD1 3.81Å; L23-L134 HydrophobicContact CD1-CD2 3.97Å; L23-L134 HydrophobicContact CD2-CD2 4.38Å
24K97.9Very high97.5Very high125 Ų12530.2 Ų30.254%0.54319%0.187SC..Hα-helixtrans-64.7-29.3175.9-72.2-172.7-179.8-179.30112.6V20 C21 G26 Q129 V130V20-K24 HydrophobicContact CG1-CD 4.08Å; V20-K24 HydrophobicContact CG1-CG 4.41Å; V20-K24 WeakPolarHBondContact O-CB 3.23Å; V20-K24 WeakPolarHBondContact O-CG 3.44Å; V20-K24 PolarHBondContact O-N 3.47Å; C21-K24 PolarHBondContact O-N 3.05Å; K24-G26 PolarHBondContact O-N 3.44Å; K24-Q129 WeakPolarHBondContact CE-O 3.34Å; K24-Q129 PolarHBondContact NZ-O 3.34Å; K24-V130 WeakPolarHBondContact CE-O 3.38Å
25G97.3Very high97.6Very high69 Ų6924.3 Ų24.371%0.71116%0.159SC*.THydrogen-bonded Turntrans-76.13.6169.900000114.5C21 C22 L23 G27C21-G25 PolarHBondContact O-N 3.42Å; C22-G25 CarbonylContact O-C 3.53Å; C22-G25 PolarHBondContact O-N 2.82Å; L23-G25 PolarHBondContact O-N 3.15Å; G25-G27 VanDerWaalsContact C-N 3.3Å; G25-G27 PolarHBondContact O-N 3.19Å
26G97.5Very high97.6Very high2 Ų224.5 Ų24.52%0.02116%0.16CC..THydrogen-bonded Turntrans75.214.3-177.700000114.7C22 L23 K24 H45 K48C22-G26 PolarHBondContact O-N 3.42Å; L23-G26 WeakPolarHBondContact O-CA 3.43Å; L23-G26 PolarHBondContact O-N 3.45Å; K24-G26 PolarHBondContact O-N 3.44Å; G26-H45 WeakPolarHBondContact CA-CE1 3.44Å; G26-H45 WeakPolarHBondContact CA-ND1 3.48Å; G26-K48 PolarHBondContact O-NZ 3.34Å
27G97.2Very high97.5Very high9 Ų924 Ų249%0.09316%0.158CC..  trans-71.5160.4175.100000113.1C22 G25 S161C22-G27 WeakPolarHBondContact O-CA 3.44Å; C22-G27 PolarHBondContact O-N 3.06Å; G25-G27 VanDerWaalsContact C-N 3.3Å; G25-G27 PolarHBondContact O-N 3.19Å; G27-S161 WeakPolarHBondContact CA-OG 3.45Å
28I97.3Very high97.5Very high8 Ų822.5 Ų22.54%0.04114%0.141CC..  trans-97.3124.3172.9-48.2-178.8000108I39 V41 K48 L49 V52 L160 S161 L162I28-I39 HydrophobicContact CG2-CB 4.08Å; I28-V41 HydrophobicContact CB-CG1 4.17Å; I28-V41 HydrophobicContact CG1-CG1 3.74Å; I28-V41 HydrophobicContact CG2-CG1 4.16Å; I28-K48 HydrophobicContact CD1-CB 3.94Å; I28-K48 HydrophobicContact CG1-CB 4.33Å; I28-K48 HydrophobicContact CG1-CD 4.41Å; I28-L49 HydrophobicContact CG2-CD2 4.11Å; I28-V52 HydrophobicContact CD1-CG2 3.55Å; I28-L160 HydrophobicContact CB-CD2 4.21Å; I28-L160 HydrophobicContact CG2-CD2 3.69Å; I28-S161 PolarHBondContact N-OG 3.2Å; I28-S161 PolarHBondContact O-N 2.86Å; I28-L162 PolarHBondContact O-N 2.98Å
29V98.1Very high97.5Very high0 Ų019.7 Ų19.70%013%0.128CC..EExtended strand (participates in β ladder)trans-109.6130.4178.3-175.40000109.5A19 C22 L23 F31 I39 A40 L162 V164A19-V29 HydrophobicContact CB-CG1 4.26Å; C22-V29 HydrophobicContact CB-CG2 3.68Å; L23-V29 HydrophobicContact CD1-CG2 4.42Å; L23-V29 HydrophobicContact CD2-CB 4.28Å; L23-V29 HydrophobicContact CD2-CG2 3.91Å; L23-V29 HydrophobicContact CG-CB 4.38Å; L23-V29 HydrophobicContact CG-CG2 3.7Å; V29-F31 HydrophobicContact CB-CD1 4.41Å; V29-F31 HydrophobicContact CG1-CD1 3.84Å; V29-F31 HydrophobicContact CG1-CE1 4.46Å; V29-I39 CarbonylContact O-C 3.45Å; V29-I39 WeakPolarHBondContact O-CA 3.45Å; V29-A40 PolarHBondContact N-O 3.26Å; V29-A40 PolarHBondContact O-N 2.98Å; V29-L162 WeakPolarHBondContact CA-O 3.45Å; V29-L162 HydrophobicContact CG1-CB 4.15Å; V29-L162 HydrophobicContact CG1-CD2 3.94Å; V29-L162 HydrophobicContact CG1-CG 4.19Å; V29-L162 HydrophobicContact CG2-CB 4.2Å; V29-L162 HydrophobicContact CG2-CD2 4.43Å; V29-V164 HydrophobicContact CG1-CG2 4.36Å
30A97.6Very high97.5Very high0 Ų019.7 Ų19.70%013%0.128CC..EExtended strand (participates in β ladder)trans-98.3138.4167.300000110.5G38 I39 F153 L160 L162 V163 V164A30-G38 VanDerWaalsContact CA-O 3.27Å; A30-G38 WeakPolarHBondContact CA-O 3.42Å; A30-I39 HydrophobicContact CB-CG2 3.9Å; A30-F153 HydrophobicContact CB-CE2 3.92Å; A30-F153 HydrophobicContact CB-CZ 4.3Å; A30-L160 HydrophobicContact CB-CD1 3.83Å; A30-L160 HydrophobicContact CB-CD2 4.35Å; A30-L162 PolarHBondContact N-O 3.35Å; A30-V163 HydrophobicContact CB-CG1 4.33Å; A30-V163 HydrophobicContact CB-CG2 4.28Å; A30-V164 PolarHBondContact O-N 2.78Å
31F97.9Very high97.5Very high1 Ų119.1 Ų19.10%0.00413%0.125CC..EExtended strand (participates in β ladder)trans-153.7157.5177.247.3-113.6000112.1V29 T33 Y37 G38 A40 F122 I123 L134 L136 V164V29-F31 HydrophobicContact CB-CD1 4.41Å; V29-F31 HydrophobicContact CG1-CD1 3.84Å; V29-F31 HydrophobicContact CG1-CE1 4.46Å; F31-T33 HydrophobicContact CD2-CG2 4.29Å; F31-T33 HydrophobicContact CE2-CG2 4.23Å; F31-Y37 VanDerWaalsContact C-CD1 3.45Å; F31-Y37 WeakPolarHBondContact O-CA 3.44Å; F31-G38 PolarHBondContact N-O 2.59Å; F31-G38 PolarHBondContact O-N 3.31Å; F31-A40 HydrophobicContact CE1-CB 3.61Å; F31-A40 HydrophobicContact CZ-CB 3.53Å; F31-F122 HydrophobicContact CB-CE1 3.73Å; F31-F122 HydrophobicContact CD1-CE1 4.1Å; F31-F122 AromaticContact CG-CE1 3.97Å; F31-F122 HydrophobicContact CG-CE1 3.97Å; F31-I123 HydrophobicContact CD2-CD1 3.6Å; F31-I123 HydrophobicContact CD2-CG1 3.81Å; F31-I123 HydrophobicContact CE2-CD1 3.49Å; F31-I123 VanDerWaalsContact CE2-CD1 3.49Å; F31-I123 HydrophobicContact CE2-CG1 3.69Å; F31-I123 HydrophobicContact CZ-CD1 4.48Å; F31-I123 HydrophobicContact CZ-CG1 4.28Å; F31-L134 HydrophobicContact CZ-CD1 4.5Å; F31-L136 HydrophobicContact CE2-CD1 3.79Å; F31-L136 HydrophobicContact CZ-CD1 3.89Å; F31-V164 HydrophobicContact CB-CB 4.08Å
32P97.6Very high97.5Very high15 Ų1514.9 Ų14.910%0.09710%0.096CC..EExtended strand (participates in β ladder)trans-67.4142.2172.230.5-38.6000110.9L9 Y37 I123 V164 I169L9-P32 HydrophobicContact CD2-CG 4.01Å; P32-Y37 HydrophobicContact CB-CD1 4.48Å; P32-Y37 HydrophobicContact CB-CE1 4.03Å; P32-Y37 HydrophobicContact CB-CE2 4.09Å; P32-Y37 HydrophobicContact CG-CE1 4.39Å; P32-I123 WeakPolarHBondContact O-CD1 3.3Å; P32-V164 WeakPolarHBondContact CD-O 3.39Å; P32-I169 HydrophobicContact CB-CD1 4.11Å; P32-I169 HydrophobicContact CB-CG1 4.38Å
33T97.7Very high97.5Very high12 Ų1213.5 Ų13.57%0.0749%0.087CC..  trans-111.9-175.6167.277.40000110.3F31 T35 I36 V118 I123F31-T33 HydrophobicContact CD2-CG2 4.29Å; F31-T33 HydrophobicContact CE2-CG2 4.23Å; T33-T35 PolarHBondContact O-N 3.13Å; T33-T35 PolarHBondContact OG1-N 3.11Å; T33-T35 PolarHBondContact OG1-OG1 3.4Å; T33-I36 VanDerWaalsContact CB-O 3.29Å; T33-I36 WeakPolarHBondContact CB-O 3.19Å; T33-I36 WeakPolarHBondContact CG2-O 3.28Å; T33-I36 PolarHBondContact N-O 2.95Å; T33-I36 PolarHBondContact OG1-N 3.25Å; T33-I36 PolarHBondContact OG1-O 2.87Å; T33-V118 HydrophobicContact CG2-CG1 4.48Å; T33-I123 HydrophobicContact CG2-CD1 3.96Å
34D96.2Very high97.3Very high27 Ų2718.1 Ų18.114%0.14411%0.108CC..SBendtrans-68.6-4.4172.257.82.2000114.9G90 R116 V118 Q119 R198D34-G90 VanDerWaalsContact OD2-O 3.05Å; D34-R116 IonicContact OD1-NH2 3.57Å; D34-R116 PolarHBondContact OD1-NH2 3.26Å; D34-V118 HydrophobicContact CB-CG1 4.09Å; D34-Q119 HydrophobicContact CB-CB 3.98Å; D34-Q119 PolarHBondContact OD2-N 3.48Å; D34-R198 PolarHBondContact O-NH1 3.07Å
35T96.9Very high97.2Very high0 Ų014.6 Ų14.60%09%0.094CC..SBendtrans-127.8-64.6-175.445.30000111.4T33 P91 R116 I169 S178 R198T33-T35 PolarHBondContact O-N 3.13Å; T33-T35 PolarHBondContact OG1-N 3.11Å; T33-T35 PolarHBondContact OG1-OG1 3.4Å; T35-P91 HydrophobicContact CG2-CB 3.44Å; T35-P91 VanDerWaalsContact CG2-CB 3.44Å; T35-R116 PolarHBondContact OG1-NH2 3.5Å; T35-I169 WeakPolarHBondContact O-CG2 3.5Å; T35-S178 WeakPolarHBondContact CB-O 3.2Å; T35-R198 HydrophobicContact CG2-CB 4.15Å
36I96.8Very high97.1Very high8 Ų811.5 Ų11.54%0.0416%0.061CC..SBendtrans-145.9167.3-176.258.6175.9000109.5T33 G38 S138 N146 S147 L148 I169 S178T33-I36 VanDerWaalsContact CB-O 3.29Å; T33-I36 WeakPolarHBondContact CB-O 3.19Å; T33-I36 WeakPolarHBondContact CG2-O 3.28Å; T33-I36 PolarHBondContact N-O 2.95Å; T33-I36 PolarHBondContact OG1-N 3.25Å; T33-I36 PolarHBondContact OG1-O 2.87Å; I36-G38 PolarHBondContact O-N 2.93Å; I36-S138 VanDerWaalsContact CD1-CB 3.49Å; I36-N146 HydrophobicContact CD1-CB 4.44Å; I36-N146 HydrophobicContact CG2-CB 3.91Å; I36-S147 CarbonylContact C-O 3.52Å; I36-S147 WeakPolarHBondContact CA-O 3.45Å; I36-S147 WeakPolarHBondContact CB-O 3.4Å; I36-L148 HydrophobicContact CG2-CD2 3.95Å; I36-I169 VanDerWaalsContact C-CD1 3.44Å; I36-S178 WeakPolarHBondContact CG2-OG 3.4Å
37Y97.4Very high96.9Very high0 Ų018.3 Ų18.30%09%0.09CC..EExtended strand (participates in β ladder)trans-62.4139.5170.2-85.6-103.4000110.8F31 P32 A139 S147 L148 V150 F153 D165 G166 G167 I169F31-Y37 VanDerWaalsContact C-CD1 3.45Å; F31-Y37 WeakPolarHBondContact O-CA 3.44Å; P32-Y37 HydrophobicContact CB-CD1 4.48Å; P32-Y37 HydrophobicContact CB-CE1 4.03Å; P32-Y37 HydrophobicContact CB-CE2 4.09Å; P32-Y37 HydrophobicContact CG-CE1 4.39Å; Y37-A139 WeakPolarHBondContact O-CB 3.27Å; Y37-A139 PolarHBondContact O-N 3.23Å; Y37-S147 PolarHBondContact N-O 3.23Å; Y37-L148 WeakPolarHBondContact CE2-O 3.23Å; Y37-V150 HydrophobicContact CE1-CG2 3.94Å; Y37-F153 AromaticContact CD1-CE1 3.64Å; Y37-F153 HydrophobicContact CD1-CE1 3.64Å; Y37-F153 AromaticContact CD1-CZ 3.58Å; Y37-F153 HydrophobicContact CD1-CZ 3.58Å; Y37-F153 HydrophobicContact CD2-CE1 4.24Å; Y37-F153 HydrophobicContact CE1-CE1 4.37Å; Y37-F153 HydrophobicContact CE1-CZ 4.2Å; Y37-F153 AromaticContact CG-CE1 3.56Å; Y37-F153 HydrophobicContact CG-CE1 3.56Å; Y37-F153 HydrophobicContact CG-CZ 4.01Å; Y37-D165 PolarHBondContact OH-OD1 3.45Å; Y37-G166 PolarHBondContact OH-N 3.45Å; Y37-G167 WeakPolarHBondContact CE2-O 3.31Å; Y37-G167 PolarHBondContact OH-N 2.93Å; Y37-G167 PolarHBondContact OH-O 3.48Å; Y37-I169 HydrophobicContact CD2-CD1 3.62Å; Y37-I169 HydrophobicContact CD2-CG1 4.23Å; Y37-I169 HydrophobicContact CE2-CD1 3.86Å; Y37-I169 HydrophobicContact CE2-CG1 3.99Å
38G97Very high96.8Very high2 Ų221.5 Ų21.52%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-118.6156.1175.900000111.5A30 F31 I36 T137A30-G38 VanDerWaalsContact CA-O 3.27Å; A30-G38 WeakPolarHBondContact CA-O 3.42Å; F31-G38 PolarHBondContact N-O 2.59Å; F31-G38 PolarHBondContact O-N 3.31Å; I36-G38 PolarHBondContact O-N 2.93Å; G38-T137 CarbonylContact C-O 3.56Å; G38-T137 WeakPolarHBondContact CA-O 3.17Å
39I97Very high96.6Very high0 Ų021.1 Ų21.10%010%0.1CC..EExtended strand (participates in β ladder)trans-113.7137.4164.853.2170.2000108.9I28 V29 A30 L49 V52 K53 T137 A139 L160I28-I39 HydrophobicContact CG2-CB 4.08Å; V29-I39 CarbonylContact O-C 3.45Å; V29-I39 WeakPolarHBondContact O-CA 3.45Å; A30-I39 HydrophobicContact CB-CG2 3.9Å; I39-L49 HydrophobicContact CB-CD2 4.25Å; I39-L49 HydrophobicContact CD1-CD2 3.69Å; I39-L49 HydrophobicContact CG1-CD2 3.83Å; I39-V52 HydrophobicContact CD1-CG1 4.16Å; I39-K53 HydrophobicContact CD1-CD 4.33Å; I39-K53 HydrophobicContact CD1-CG 4.21Å; I39-T137 HydrophobicContact CD1-CG2 4.03Å; I39-T137 HydrophobicContact CG1-CG2 3.62Å; I39-T137 PolarHBondContact N-O 3.21Å; I39-T137 PolarHBondContact O-N 3.36Å; I39-T137 VanDerWaalsContact O-N 3.12Å; I39-A139 HydrophobicContact CG2-CB 3.86Å; I39-L160 HydrophobicContact CG2-CD2 3.68Å
40A98.2Very high96.3Very high0 Ų022 Ų220%010%0.103CC..EExtended strand (participates in β ladder)trans-133.9151.4-175.200000112.7L23 V29 F31 L134 A135 L136L23-A40 WeakPolarHBondContact CD2-O 3.38Å; V29-A40 PolarHBondContact N-O 3.26Å; V29-A40 PolarHBondContact O-N 2.98Å; F31-A40 HydrophobicContact CE1-CB 3.61Å; F31-A40 HydrophobicContact CZ-CB 3.53Å; A40-L134 HydrophobicContact CB-CB 4.27Å; A40-L134 HydrophobicContact CB-CD1 4.19Å; A40-A135 WeakPolarHBondContact CA-O 3.48Å; A40-L136 HydrophobicContact CB-CD1 4.02Å
41V98.1Very high96Very high0 Ų027.2 Ų27.20%013%0.127CC..EExtended strand (participates in β ladder)trans-141.2166.1170.9-62.70000108.8I28 H45 L49 A135I28-V41 HydrophobicContact CB-CG1 4.17Å; I28-V41 HydrophobicContact CG1-CG1 3.74Å; I28-V41 HydrophobicContact CG2-CG1 4.16Å; V41-H45 HydrophobicContact CB-CB 3.96Å; V41-H45 HydrophobicContact CG2-CB 4.2Å; V41-L49 HydrophobicContact CB-CG 4.45Å; V41-L49 HydrophobicContact CG1-CD2 3.96Å; V41-L49 HydrophobicContact CG1-CG 4.05Å; V41-L49 HydrophobicContact CG2-CD1 3.63Å; V41-L49 HydrophobicContact CG2-CD2 4.35Å; V41-L49 HydrophobicContact CG2-CG 3.6Å; V41-A135 HydrophobicContact CG2-CB 3.97Å; V41-A135 PolarHBondContact N-O 3.49Å; V41-A135 VanDerWaalsContact N-O 3.12Å; V41-A135 PolarHBondContact O-N 2.92Å
42T98.2Very high95.6Very high2 Ų227.6 Ų27.61%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-70.1159.8166.755.10000111.9L23 E44 H45 V130 Q132 L134L23-T42 HydrophobicContact CB-CG2 4.18Å; L23-T42 WeakPolarHBondContact O-CG2 3.3Å; T42-E44 WeakPolarHBondContact CB-OE1 3.37Å; T42-E44 VanDerWaalsContact CB-OE2 3.28Å; T42-E44 WeakPolarHBondContact CB-OE2 3.46Å; T42-E44 PolarHBondContact O-N 3.34Å; T42-E44 PolarHBondContact OG1-OE1 3.4Å; T42-E44 PolarHBondContact OG1-OE2 3.27Å; T42-H45 PolarHBondContact O-N 3.28Å; T42-H45 PolarHBondContact OG1-ND1 3.46Å; T42-V130 HydrophobicContact CG2-CG1 3.83Å; T42-Q132 VanDerWaalsContact CB-NE2 3.33Å; T42-L134 HydrophobicContact CG2-CD2 4.37Å
43L96.7Very high95Very high4 Ų426.9 Ų26.92%0.02113%0.125CC..G310 helixtrans-62.3-28.8-169.8-59.5-173.6000113.8H45 T46 V63 L102 P103 T105 V106 P133 A135L43-H45 VanDerWaalsContact C-N 3.26Å; L43-H45 PolarHBondContact O-N 3.48Å; L43-T46 WeakPolarHBondContact O-CG2 3.48Å; L43-T46 PolarHBondContact O-OG1 2.96Å; L43-V63 HydrophobicContact CD2-CG1 4.02Å; L43-L102 HydrophobicContact CD1-CD1 4.31Å; L43-P103 HydrophobicContact CD1-CG 4.43Å; L43-T105 PolarHBondContact O-OG1 2.71Å; L43-T105 VanDerWaalsContact O-OG1 3.13Å; L43-V106 HydrophobicContact CB-CG2 3.79Å; L43-V106 HydrophobicContact CD1-CG2 4.33Å; L43-V106 HydrophobicContact CD2-CG2 3.86Å; L43-V106 HydrophobicContact CG-CG2 4.2Å; L43-P133 HydrophobicContact CD1-CB 4.39Å; L43-P133 HydrophobicContact CD2-CB 4.41Å; L43-P133 WeakPolarHBondContact CG-O 3.24Å; L43-A135 HydrophobicContact CD2-CB 4.26Å
44E95.5Very high94.3Very high96 Ų9636.2 Ų36.245%0.44916%0.159SC..G310 helixtrans-74.2-15175.568.6-78.8-17900113.3T42 Q132T42-E44 WeakPolarHBondContact CB-OE1 3.37Å; T42-E44 VanDerWaalsContact CB-OE2 3.28Å; T42-E44 WeakPolarHBondContact CB-OE2 3.46Å; T42-E44 PolarHBondContact O-N 3.34Å; T42-E44 PolarHBondContact OG1-OE1 3.4Å; T42-E44 PolarHBondContact OG1-OE2 3.27Å; E44-Q132 PolarHBondContact OE2-NE2 3.07Å
45H96.1Very high93.3Very high51 Ų5137.7 Ų37.724%0.23616%0.162CC..G310 helixtrans-108.810.8-178.1-63.8112.5000113.9G26 V41 T42 L43 K47 K48G26-H45 WeakPolarHBondContact CA-CE1 3.44Å; G26-H45 WeakPolarHBondContact CA-ND1 3.48Å; V41-H45 HydrophobicContact CB-CB 3.96Å; V41-H45 HydrophobicContact CG2-CB 4.2Å; T42-H45 PolarHBondContact O-N 3.28Å; T42-H45 PolarHBondContact OG1-ND1 3.46Å; L43-H45 VanDerWaalsContact C-N 3.26Å; L43-H45 PolarHBondContact O-N 3.48Å; H45-K47 PolarHBondContact O-N 2.73Å; H45-K48 HydrophobicContact CB-CD 4.39Å; H45-K48 WeakPolarHBondContact O-CB 3.46Å; H45-K48 PolarHBondContact O-N 3.12Å
46T94.5Very high92.4Very high5 Ų540.3 Ų40.33%0.03118%0.184CC..Hα-helixtrans-48.3-35.1-179.948.90000114.1L43 K48 L49 Y50 T105 V106 A135L43-T46 WeakPolarHBondContact O-CG2 3.48Å; L43-T46 PolarHBondContact O-OG1 2.96Å; T46-K48 PolarHBondContact O-N 2.89Å; T46-L49 WeakPolarHBondContact O-CB 3.18Å; T46-L49 PolarHBondContact O-N 2.77Å; T46-Y50 PolarHBondContact O-N 2.94Å; T46-T105 PolarHBondContact OG1-O 2.79Å; T46-V106 HydrophobicContact CG2-CB 4.4Å; T46-V106 HydrophobicContact CG2-CG1 4.46Å; T46-V106 HydrophobicContact CG2-CG2 3.99Å; T46-A135 HydrophobicContact CG2-CB 3.53Å
47K93Very high91.3Very high145 Ų14544 Ų4463%0.6321%0.207SC*.Hα-helixtrans-53.3-37.6177.2-167.9-175.3179-165.80112.6H45 L49 Y50 E51H45-K47 PolarHBondContact O-N 2.73Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.88Å; K47-Y50 WeakPolarHBondContact O-CB 3.3Å; K47-Y50 PolarHBondContact O-N 2.91Å; K47-Y50 VanDerWaalsContact O-N 3.15Å; K47-E51 WeakPolarHBondContact CE-OE1 3.31Å; K47-E51 IonicContact NZ-OE1 3.61Å; K47-E51 WeakPolarHBondContact O-CG 3.27Å; K47-E51 PolarHBondContact O-N 2.8Å
48K94.7Very high90.1Very high76 Ų7648.3 Ų48.333%0.3324%0.237SC..Hα-helixtrans-60.1-39.1178.2-65.8-174.3179.4-179.80111.8G26 I28 H45 T46 Y50 E51 V52G26-K48 PolarHBondContact O-NZ 3.34Å; I28-K48 HydrophobicContact CD1-CB 3.94Å; I28-K48 HydrophobicContact CG1-CB 4.33Å; I28-K48 HydrophobicContact CG1-CD 4.41Å; H45-K48 HydrophobicContact CB-CD 4.39Å; H45-K48 WeakPolarHBondContact O-CB 3.46Å; H45-K48 PolarHBondContact O-N 3.12Å; T46-K48 PolarHBondContact O-N 2.89Å; K48-Y50 VanDerWaalsContact C-N 3.35Å; K48-Y50 PolarHBondContact O-N 3.16Å; K48-E51 PolarHBondContact O-N 3.12Å; K48-V52 WeakPolarHBondContact O-CB 3.21Å; K48-V52 VanDerWaalsContact O-CG2 3.23Å; K48-V52 WeakPolarHBondContact O-CG2 3.06Å; K48-V52 PolarHBondContact O-N 2.91Å
49L94.1Very high89.4Confident0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-66.4-36.7178-66.2-177.2000112.4I28 I39 V41 T46 K47 K53 I61 A135 T137I28-L49 HydrophobicContact CG2-CD2 4.11Å; I39-L49 HydrophobicContact CB-CD2 4.25Å; I39-L49 HydrophobicContact CD1-CD2 3.69Å; I39-L49 HydrophobicContact CG1-CD2 3.83Å; V41-L49 HydrophobicContact CB-CG 4.45Å; V41-L49 HydrophobicContact CG1-CD2 3.96Å; V41-L49 HydrophobicContact CG1-CG 4.05Å; V41-L49 HydrophobicContact CG2-CD1 3.63Å; V41-L49 HydrophobicContact CG2-CD2 4.35Å; V41-L49 HydrophobicContact CG2-CG 3.6Å; T46-L49 WeakPolarHBondContact O-CB 3.18Å; T46-L49 PolarHBondContact O-N 2.77Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.88Å; L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.37Å; L49-I61 HydrophobicContact CB-CD1 3.57Å; L49-I61 HydrophobicContact CD1-CD1 4.03Å; L49-I61 HydrophobicContact CD1-CG2 4.03Å; L49-I61 HydrophobicContact CG-CD1 4.45Å; L49-A135 HydrophobicContact CD1-CB 3.99Å; L49-A135 WeakPolarHBondContact CD1-O 3.46Å; L49-T137 HydrophobicContact CB-CG2 4.44Å; L49-T137 HydrophobicContact CD1-CG2 4.09Å; L49-T137 HydrophobicContact CD2-CG2 4.32Å
50Y91.3Very high89Confident17 Ų1754.8 Ų54.87%0.06727%0.27CS..Hα-helixtrans-65.4-44.3174.9-74.7-71.7000111.9T46 K47 K48 R54 R55 T57 I61 N107T46-Y50 PolarHBondContact O-N 2.94Å; K47-Y50 WeakPolarHBondContact O-CB 3.3Å; K47-Y50 PolarHBondContact O-N 2.91Å; K47-Y50 VanDerWaalsContact O-N 3.15Å; K48-Y50 VanDerWaalsContact C-N 3.35Å; K48-Y50 PolarHBondContact O-N 3.16Å; Y50-R54 PolarHBondContact O-N 3.36Å; Y50-R54 VanDerWaalsContact O-N 3.07Å; Y50-R55 HydrophobicContact CD1-CB 4.2Å; Y50-R55 HydrophobicContact CD1-CG 4.28Å; Y50-R55 PolarHBondContact O-N 3.47Å; Y50-T57 HydrophobicContact CD1-CG2 4.27Å; Y50-T57 VanDerWaalsContact CE1-CA 3.48Å; Y50-T57 HydrophobicContact CE1-CG2 4.37Å; Y50-T57 HydrophobicContact CG-CG2 4.35Å; Y50-T57 PolarHBondContact OH-O 2.83Å; Y50-I61 HydrophobicContact CD1-CD1 4.3Å; Y50-I61 HydrophobicContact CD2-CD1 3.8Å; Y50-I61 HydrophobicContact CE1-CD1 4.07Å; Y50-I61 HydrophobicContact CE1-CG1 4.14Å; Y50-I61 HydrophobicContact CE2-CD1 3.58Å; Y50-I61 HydrophobicContact CE2-CG1 4.22Å; Y50-I61 HydrophobicContact CG-CD1 4.17Å; Y50-N107 PolarHBondContact OH-OD1 3.02Å
51E91Very high88.7Confident111 Ų11154.9 Ų54.952%0.51927%0.27SS..Hα-helixtrans-60.7-51.3177-70.2170.2-177.800111.1K47 K48 K53 R54K47-E51 WeakPolarHBondContact CE-OE1 3.31Å; K47-E51 IonicContact NZ-OE1 3.61Å; K47-E51 WeakPolarHBondContact O-CG 3.27Å; K47-E51 PolarHBondContact O-N 2.8Å; K48-E51 PolarHBondContact O-N 3.12Å; E51-K53 VanDerWaalsContact C-N 3.35Å; E51-K53 PolarHBondContact O-N 3.05Å; E51-R54 PolarHBondContact O-N 2.85Å; E51-R54 VanDerWaalsContact O-N 3.14Å
52V89.5Confident88.7Confident8 Ų855.6 Ų55.65%0.04828%0.277CS..Hα-helixtrans-60.5-42.6-179.6171.50000112I28 I39 K48 R54 L156 Y159I28-V52 HydrophobicContact CD1-CG2 3.55Å; I39-V52 HydrophobicContact CD1-CG1 4.16Å; K48-V52 WeakPolarHBondContact O-CB 3.21Å; K48-V52 VanDerWaalsContact O-CG2 3.23Å; K48-V52 WeakPolarHBondContact O-CG2 3.06Å; K48-V52 PolarHBondContact O-N 2.91Å; V52-R54 VanDerWaalsContact C-N 3.27Å; V52-R54 PolarHBondContact O-N 2.75Å; V52-L156 HydrophobicContact CG1-CD2 3.86Å; V52-Y159 HydrophobicContact CB-CG 4.4Å; V52-Y159 HydrophobicContact CG1-CD2 4.05Å; V52-Y159 HydrophobicContact CG1-CG 4.18Å; V52-Y159 VanDerWaalsContact CG2-CB 3.41Å; V52-Y159 HydrophobicContact CG2-CD1 3.82Å; V52-Y159 HydrophobicContact CG2-CD2 4.24Å; V52-Y159 HydrophobicContact CG2-CG 3.57Å
53K84.7Confident88.7Confident1 Ų155.5 Ų55.50%0.00428%0.276CS..Hα-helixtrans-82.1-4.1-178.8-70.1-177.67289.30113.9I39 L49 E51 R55 T137 S138 N140I39-K53 HydrophobicContact CD1-CD 4.33Å; I39-K53 HydrophobicContact CD1-CG 4.21Å; L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.37Å; E51-K53 VanDerWaalsContact C-N 3.35Å; E51-K53 PolarHBondContact O-N 3.05Å; K53-R55 HydrophobicContact CB-CB 3.77Å; K53-R55 PolarHBondContact O-N 2.69Å; K53-T137 HydrophobicContact CD-CG2 3.36Å; K53-T137 VanDerWaalsContact CE-OG1 3.3Å; K53-T137 WeakPolarHBondContact CE-OG1 3.08Å; K53-T137 PolarHBondContact NZ-OG1 3Å; K53-S138 PolarHBondContact NZ-O 3.3Å; K53-S138 PolarHBondContact NZ-OG 3.47Å; K53-N140 PolarHBondContact NZ-O 3.04Å
54R83.1Confident88.7Confident207 Ų20755.3 Ų55.378%0.78128%0.275SS*.THydrogen-bonded Turntrans47.341.6-168.9-58.3-179.6179.5179.8-0.7110.9Y50 E51 V52Y50-R54 PolarHBondContact O-N 3.36Å; Y50-R54 VanDerWaalsContact O-N 3.07Å; E51-R54 PolarHBondContact O-N 2.85Å; E51-R54 VanDerWaalsContact O-N 3.14Å; V52-R54 VanDerWaalsContact C-N 3.27Å; V52-R54 PolarHBondContact O-N 2.75Å
55R75.4Confident88.9Confident58 Ų5850.9 Ų50.922%0.21925%0.254CS..  trans-98.7133.6-169-176.4176.5179.3110.5-11.2108.7Y50 K53 K59 P60Y50-R55 HydrophobicContact CD1-CB 4.2Å; Y50-R55 HydrophobicContact CD1-CG 4.28Å; Y50-R55 PolarHBondContact O-N 3.47Å; K53-R55 HydrophobicContact CB-CB 3.77Å; K53-R55 PolarHBondContact O-N 2.69Å; R55-K59 HydrophobicContact CG-CB 3.9Å; R55-K59 HydrophobicContact CG-CD 4.39Å; R55-K59 VanDerWaalsContact CZ-CB 3.45Å; R55-K59 PolarHBondContact NE-O 3.01Å; R55-K59 PolarHBondContact NH2-O 3.05Å; R55-P60 PolarHBondContact NH2-O 2.63Å
56A77.2Confident89Confident55 Ų5549.4 Ų49.446%0.45525%0.249SC..  trans-60.9139.5169.200000109.9S58 K59A56-S58 WeakPolarHBondContact CB-OG 3.26Å; A56-S58 PolarHBondContact O-N 2.92Å; A56-S58 VanDerWaalsContact O-N 3.13Å; A56-K59 PolarHBondContact O-N 2.82Å
57T75.4Confident89.1Confident86 Ų8650.8 Ų50.853%0.52826%0.259SS..THydrogen-bonded Turntrans-58.8-25.5177.747.20000112.7Y50 K59Y50-T57 HydrophobicContact CD1-CG2 4.27Å; Y50-T57 VanDerWaalsContact CE1-CA 3.48Å; Y50-T57 HydrophobicContact CE1-CG2 4.37Å; Y50-T57 HydrophobicContact CG-CG2 4.35Å; Y50-T57 PolarHBondContact OH-O 2.83Å; T57-K59 PolarHBondContact O-N 2.89Å; T57-K59 VanDerWaalsContact O-N 3.16Å
58S72.5Confident89.4Confident90 Ų9044.9 Ų44.963%0.62924%0.235SC*.THydrogen-bonded Turntrans-61.6-16.1173.260.80000114.8A56 P60A56-S58 WeakPolarHBondContact CB-OG 3.26Å; A56-S58 PolarHBondContact O-N 2.92Å; A56-S58 VanDerWaalsContact O-N 3.13Å; S58-P60 WeakPolarHBondContact O-CD 3.48Å
59K81.7Confident89.5Confident87 Ų8745.6 Ų45.638%0.37825%0.25SS..SBendtrans-98.195.7172.5-65.8-170.7176-176.70108.8R55 A56 T57R55-K59 HydrophobicContact CG-CB 3.9Å; R55-K59 HydrophobicContact CG-CD 4.39Å; R55-K59 VanDerWaalsContact CZ-CB 3.45Å; R55-K59 PolarHBondContact NE-O 3.01Å; R55-K59 PolarHBondContact NH2-O 3.05Å; A56-K59 PolarHBondContact O-N 2.82Å; T57-K59 PolarHBondContact O-N 2.89Å; T57-K59 VanDerWaalsContact O-N 3.16Å
60P87.6Confident89.6Confident51 Ų5149 Ų4933%0.33127%0.266SS..PPolyproline II helixtrans-60.4155.1-173.123.4-33.7000113R55 S58 N107 V110R55-P60 PolarHBondContact NH2-O 2.63Å; S58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-N107 VanDerWaalsContact CA-OD1 3.3Å; P60-N107 WeakPolarHBondContact CA-OD1 3.44Å; P60-N107 HydrophobicContact CB-CB 4.1Å; P60-N107 VanDerWaalsContact CB-CG 3.47Å; P60-V110 HydrophobicContact CB-CG1 4.24Å; P60-V110 HydrophobicContact CG-CG1 4.24Å
61I93.5Very high89.9Confident2 Ų248.2 Ų48.21%0.0126%0.263CS..PPolyproline II helixtrans-99.2137.4173.2-64.3176000107.8L49 Y50 N107 A135 L136L49-I61 HydrophobicContact CB-CD1 3.57Å; L49-I61 HydrophobicContact CD1-CD1 4.03Å; L49-I61 HydrophobicContact CD1-CG2 4.03Å; L49-I61 HydrophobicContact CG-CD1 4.45Å; Y50-I61 HydrophobicContact CD1-CD1 4.3Å; Y50-I61 HydrophobicContact CD2-CD1 3.8Å; Y50-I61 HydrophobicContact CE1-CD1 4.07Å; Y50-I61 HydrophobicContact CE1-CG1 4.14Å; Y50-I61 HydrophobicContact CE2-CD1 3.58Å; Y50-I61 HydrophobicContact CE2-CG1 4.22Å; Y50-I61 HydrophobicContact CG-CD1 4.17Å; I61-N107 PolarHBondContact N-OD1 3.49Å; I61-N107 PolarHBondContact O-ND2 2.78Å; I61-N107 PolarHBondContact O-OD1 3.47Å; I61-A135 HydrophobicContact CG2-CB 4Å; I61-L136 WeakPolarHBondContact CG2-O 3.29Å
62A96.6Very high90.2Very high16 Ų1649.7 Ų49.713%0.13227%0.27CS..EExtended strand (participates in β ladder)trans-77153.9177.400000110.7T93 G114 R116 L136A62-T93 HydrophobicContact CB-CG2 4.06Å; A62-G114 CarbonylContact C-O 3.5Å; A62-G114 WeakPolarHBondContact CA-O 3Å; A62-G114 WeakPolarHBondContact CB-O 3.34Å; A62-R116 HydrophobicContact CB-CG 4.25Å; A62-L136 PolarHBondContact N-O 3.2Å; A62-L136 PolarHBondContact O-N 2.56Å
63V97.8Very high90.5Very high0 Ų056.1 Ų56.10%029%0.293CS..EExtended strand (participates in β ladder)trans-98.4134.7166.8-63.50000109.7L43 L65 L102 V106 V113 G114 V115 R116 P133 L134L43-V63 HydrophobicContact CD2-CG1 4.02Å; V63-L65 HydrophobicContact CG2-CD1 4.01Å; V63-L102 HydrophobicContact CG1-CD1 4.01Å; V63-V106 HydrophobicContact CG1-CG1 3.92Å; V63-V113 HydrophobicContact CG1-CG2 4.22Å; V63-V113 HydrophobicContact CG2-CG2 3.72Å; V63-G114 PolarHBondContact N-O 3.13Å; V63-V115 HydrophobicContact CG2-CB 4.48Å; V63-V115 HydrophobicContact CG2-CG1 3.9Å; V63-R116 PolarHBondContact O-N 2.84Å; V63-P133 HydrophobicContact CB-CB 4.3Å; V63-L134 CarbonylContact C-O 3.58Å; V63-L134 WeakPolarHBondContact CA-O 3.38Å
64C98.5Very high91.1Very high0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-104.5121177.4-172.30000109.3R116 P133 L134 L136C64-R116 CarbonylContact C-O 3.51Å; C64-R116 WeakPolarHBondContact CA-O 3.43Å; C64-P133 VanDerWaalsContact O-CA 3.3Å; C64-P133 WeakPolarHBondContact O-CA 3.43Å; C64-L134 HydrophobicContact CB-CB 4.47Å; C64-L134 PolarHBondContact N-O 3.33Å; C64-L134 PolarHBondContact O-N 2.92Å; C64-L136 HydrophobicContact CB-CB 3.84Å; C64-L136 HydrophobicContact CB-CD2 3.74Å; C64-L136 HydrophobicContact CB-CG 4.41Å
65L98.3Very high91.8Very high2 Ų247 Ų471%0.0126%0.259CS..  trans-108.4156.4-177.8-58.6100.9000110.8V63 S67 E70 I71 Y74 V115 R116 V117 P133V63-L65 HydrophobicContact CG2-CD1 4.01Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-E70 HydrophobicContact CB-CB 4.38Å; L65-E70 HydrophobicContact CD2-CB 3.69Å; L65-E70 WeakPolarHBondContact CD2-O 3.38Å; L65-I71 HydrophobicContact CD1-CG1 4.29Å; L65-I71 HydrophobicContact CD2-CG1 4.44Å; L65-Y74 HydrophobicContact CD2-CD2 3.47Å; L65-Y74 VanDerWaalsContact CD2-CD2 3.47Å; L65-Y74 HydrophobicContact CD2-CE2 3.96Å; L65-Y74 HydrophobicContact CD2-CG 4.41Å; L65-V115 HydrophobicContact CD1-CB 3.92Å; L65-V115 HydrophobicContact CD1-CG1 4.23Å; L65-R116 PolarHBondContact N-O 3.18Å; L65-V117 HydrophobicContact CB-CG2 4.35Å; L65-P133 HydrophobicContact CD2-CG 4.22Å; L65-P133 HydrophobicContact CG-CB 4.32Å; L65-P133 HydrophobicContact CG-CG 4.26Å
66P97.9Very high92.9Very high20 Ų2047.7 Ų47.713%0.1327%0.269CS..SBendtrans-75.2-19.9179.930.6-35.6000114E70 A124 C127 R128P66-E70 HydrophobicContact CG-CG 4.01Å; P66-A124 WeakPolarHBondContact CB-O 3.47Å; P66-C127 HydrophobicContact CB-CB 3.91Å; P66-C127 HydrophobicContact CG-CB 4.32Å; P66-R128 HydrophobicContact CB-CG 3.66Å; P66-R128 HydrophobicContact CG-CG 4.21Å
67S97.8Very high93.8Very high34 Ų3447.1 Ų47.124%0.23826%0.258CS..SBendtrans-160.5164.4-178.656.90000111.7L65 S69 E70L65-S67 VanDerWaalsContact C-N 3.33Å; S67-S69 VanDerWaalsContact C-N 3.28Å; S67-S69 PolarHBondContact O-N 3.32Å; S67-S69 PolarHBondContact OG-OG 3.1Å; S67-E70 PolarHBondContact O-N 2.99Å
68V98Very high94.8Very high21 Ų2144.7 Ų44.713%0.12724%0.243CC..G310 helixtrans-63.6-34.3176.6-179.10000112E70 I71 L84 L88 V117V68-E70 PolarHBondContact O-N 3.2Å; V68-E70 VanDerWaalsContact O-N 3.13Å; V68-I71 HydrophobicContact CB-CD1 4.42Å; V68-I71 HydrophobicContact CG1-CD1 4.09Å; V68-I71 WeakPolarHBondContact O-CB 3.42Å; V68-I71 VanDerWaalsContact O-CG1 3.3Å; V68-I71 WeakPolarHBondContact O-CG1 3.33Å; V68-I71 PolarHBondContact O-N 2.81Å; V68-I71 VanDerWaalsContact O-N 3.1Å; V68-L84 HydrophobicContact CG1-CB 3.83Å; V68-L88 HydrophobicContact CG2-CB 3.6Å; V68-L88 WeakPolarHBondContact CG2-O 3.29Å; V68-V117 HydrophobicContact CG2-CG2 4.36Å
69S96.8Very high96Very high92 Ų9241 Ų4164%0.64322%0.217SC*.G310 helixtrans-60.7-22.1-179.959.90000114.3S67S67-S69 VanDerWaalsContact C-N 3.28Å; S67-S69 PolarHBondContact O-N 3.32Å; S67-S69 PolarHBondContact OG-OG 3.1Å
70E96.8Very high96.6Very high71 Ų7139.8 Ų39.833%0.33222%0.218SC..G310 helixtrans-86.3-9.8-179.3-65.1-67.3123.100112.7L65 P66 S67 V68 R73 Y74L65-E70 HydrophobicContact CB-CB 4.38Å; L65-E70 HydrophobicContact CD2-CB 3.69Å; L65-E70 WeakPolarHBondContact CD2-O 3.38Å; P66-E70 HydrophobicContact CG-CG 4.01Å; S67-E70 PolarHBondContact O-N 2.99Å; V68-E70 PolarHBondContact O-N 3.2Å; V68-E70 VanDerWaalsContact O-N 3.13Å; E70-R73 WeakPolarHBondContact O-CB 3.34Å; E70-R73 PolarHBondContact O-N 3.12Å; E70-Y74 WeakPolarHBondContact O-CD2 3.34Å
71I97.8Very high97Very high0 Ų041.4 Ų41.40%023%0.231CC..G310 helixtrans-65.5-44.5-170.3-64.3175000111.9L65 V68 R73 Y74 A75 L77 L88 V115 V117L65-I71 HydrophobicContact CD1-CG1 4.29Å; L65-I71 HydrophobicContact CD2-CG1 4.44Å; V68-I71 HydrophobicContact CB-CD1 4.42Å; V68-I71 HydrophobicContact CG1-CD1 4.09Å; V68-I71 WeakPolarHBondContact O-CB 3.42Å; V68-I71 VanDerWaalsContact O-CG1 3.3Å; V68-I71 WeakPolarHBondContact O-CG1 3.33Å; V68-I71 PolarHBondContact O-N 2.81Å; V68-I71 VanDerWaalsContact O-N 3.1Å; I71-R73 PolarHBondContact O-N 2.76Å; I71-R73 VanDerWaalsContact O-N 3.08Å; I71-Y74 PolarHBondContact O-N 2.88Å; I71-A75 HydrophobicContact CG2-CB 4.12Å; I71-A75 PolarHBondContact O-N 3.04Å; I71-L77 HydrophobicContact CG2-CD2 3.68Å; I71-L88 HydrophobicContact CD1-CD1 3.61Å; I71-V115 HydrophobicContact CD1-CG2 4.31Å; I71-V115 HydrophobicContact CG2-CB 4.38Å; I71-V115 HydrophobicContact CG2-CG1 4.24Å; I71-V115 HydrophobicContact CG2-CG2 3.98Å; I71-V117 HydrophobicContact CD1-CG2 4.12Å; I71-V117 HydrophobicContact CG1-CG2 4.44Å
72E96.7Very high97.2Very high142 Ų14243 Ų4366%0.66425%0.247SC*.G310 helixtrans-57.7-26.2-178-81.3-174.415800113.3Y74 A75 L77E72-Y74 VanDerWaalsContact C-N 3.26Å; E72-Y74 PolarHBondContact O-N 3.44Å; E72-A75 WeakPolarHBondContact CA-O 3.24Å; E72-L77 HydrophobicContact CG-CB 4.41Å; E72-L77 HydrophobicContact CG-CD1 3.22Å; E72-L77 HydrophobicContact CG-CG 3.6Å
73R96.5Very high97.2Very high144 Ų14442.2 Ų42.254%0.54324%0.241SC..G310 helixtrans-67.3-27.4175.8-175.9173180-178.1-0.7112.7E70 I71 S99 D101E70-R73 WeakPolarHBondContact O-CB 3.34Å; E70-R73 PolarHBondContact O-N 3.12Å; I71-R73 PolarHBondContact O-N 2.76Å; I71-R73 VanDerWaalsContact O-N 3.08Å; R73-S99 PolarHBondContact O-OG 2.85Å; R73-D101 WeakPolarHBondContact O-CB 3.38Å
74Y97.1Very high97.2Very high16 Ų1642.3 Ų42.36%0.06324%0.242CC..THydrogen-bonded Turntrans-114.6-14.5-173.8-59.4-80.4000113.4L65 E70 I71 E72 S99 L102 P133L65-Y74 HydrophobicContact CD2-CD2 3.47Å; L65-Y74 VanDerWaalsContact CD2-CD2 3.47Å; L65-Y74 HydrophobicContact CD2-CE2 3.96Å; L65-Y74 HydrophobicContact CD2-CG 4.41Å; E70-Y74 WeakPolarHBondContact O-CD2 3.34Å; I71-Y74 PolarHBondContact O-N 2.88Å; E72-Y74 VanDerWaalsContact C-N 3.26Å; E72-Y74 PolarHBondContact O-N 3.44Å; Y74-S99 WeakPolarHBondContact CA-OG 3.41Å; Y74-S99 PolarHBondContact O-N 3.36Å; Y74-S99 PolarHBondContact O-OG 2.95Å; Y74-S99 VanDerWaalsContact O-OG 3.12Å; Y74-L102 HydrophobicContact CD1-CB 4.45Å; Y74-L102 HydrophobicContact CD1-CD1 3.89Å; Y74-P133 HydrophobicContact CD1-CG 4.18Å; Y74-P133 HydrophobicContact CD2-CG 3.83Å; Y74-P133 HydrophobicContact CE1-CG 3.76Å; Y74-P133 HydrophobicContact CE2-CG 3.37Å; Y74-P133 HydrophobicContact CG-CG 4.21Å; Y74-P133 VanDerWaalsContact CZ-CD 3.42Å; Y74-P133 WeakPolarHBondContact OH-CD 3.15Å
75A97.8Very high97.2Very high1 Ų147 Ų471%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-141.2143.6-175.600000111.5I71 E72 L77 F96 E97 V113 V115I71-A75 HydrophobicContact CG2-CB 4.12Å; I71-A75 PolarHBondContact O-N 3.04Å; E72-A75 WeakPolarHBondContact CA-O 3.24Å; A75-L77 PolarHBondContact O-N 2.84Å; A75-F96 HydrophobicContact CB-CB 3.75Å; A75-F96 HydrophobicContact CB-CD2 4.24Å; A75-F96 HydrophobicContact CB-CG 4.26Å; A75-E97 CarbonylContact C-O 3.6Å; A75-E97 WeakPolarHBondContact CA-O 3.43Å; A75-V113 HydrophobicContact CB-CG1 3.94Å; A75-V115 HydrophobicContact CB-CG1 4.02Å
76V97.8Very high97.1Very high71 Ų7148.4 Ų48.443%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-81.6109.8172.6-176.30000108.5E97V76-E97 HydrophobicContact CB-CB 4.23Å; V76-E97 HydrophobicContact CG2-CB 4.46Å; V76-E97 PolarHBondContact N-O 2.75Å
77L97.3Very high97.1Very high43 Ų4347.5 Ų47.523%0.22527%0.272CS..  trans-76.7141.5-179.5-66.1-172000112.2I71 E72 A75 L84 F96I71-L77 HydrophobicContact CG2-CD2 3.68Å; E72-L77 HydrophobicContact CG-CB 4.41Å; E72-L77 HydrophobicContact CG-CD1 3.22Å; E72-L77 HydrophobicContact CG-CG 3.6Å; A75-L77 PolarHBondContact O-N 2.84Å; L77-L84 HydrophobicContact CD1-CD1 3.33Å; L77-L84 HydrophobicContact CD2-CD1 3.79Å; L77-L84 HydrophobicContact CG-CD1 4.17Å; L77-F96 HydrophobicContact CD2-CD1 4.25Å; L77-F96 HydrophobicContact CD2-CD2 4.18Å; L77-F96 HydrophobicContact CD2-CE1 4.02Å; L77-F96 HydrophobicContact CD2-CE2 3.93Å; L77-F96 HydrophobicContact CD2-CG 4.34Å; L77-F96 HydrophobicContact CD2-CZ 3.87Å
78T96.8Very high97.2Very high35 Ų3546.1 Ų46.122%0.21526%0.262CS..  trans-123.9-2.2-179.256.40000112.5L185 P188T78-L185 WeakPolarHBondContact CB-O 3.47Å; T78-L185 PolarHBondContact OG1-O 3.38Å; T78-P188 HydrophobicContact CG2-CG 4.01Å
79V96.8Very high97.2Very high12 Ų1248.1 Ų48.17%0.07328%0.276CS..SBendtrans-124.6151.9-174.8-66.60000110.2L83 L84 F96 L185 L214V79-L83 HydrophobicContact CB-CD2 4.15Å; V79-L83 HydrophobicContact CG1-CD2 4.1Å; V79-L84 HydrophobicContact CG2-CD1 4.23Å; V79-L84 HydrophobicContact CG2-CD2 3.76Å; V79-L84 HydrophobicContact CG2-CG 3.77Å; V79-F96 HydrophobicContact CG2-CE1 3.94Å; V79-F96 HydrophobicContact CG2-CZ 3.9Å; V79-L185 HydrophobicContact CG1-CB 4.25Å; V79-L185 HydrophobicContact CG1-CD1 4.13Å; V79-L185 HydrophobicContact CG1-CD2 4.09Å; V79-L185 HydrophobicContact CG1-CG 4.39Å; V79-L185 HydrophobicContact CG2-CD1 4.23Å; V79-L214 HydrophobicContact CG1-CD1 4.43Å; V79-L214 HydrophobicContact CG1-CD2 4.3Å
80P95.2Very high97.2Very high62 Ų6244 Ų4440%0.40325%0.248SC..  trans-66.9150.617827.6-34.9000111.7G82 L83 L84 Y212P80-G82 PolarHBondContact O-N 2.98Å; P80-G82 VanDerWaalsContact O-N 3.15Å; P80-L83 HydrophobicContact CG-CB 4.35Å; P80-L83 PolarHBondContact O-N 2.83Å; P80-L83 VanDerWaalsContact O-N 3.08Å; P80-L84 PolarHBondContact O-N 3.23Å; P80-Y212 HydrophobicContact CG-CD1 3.66Å; P80-Y212 HydrophobicContact CG-CE1 4.28Å
81S95.5Very high97.3Very high86 Ų8641.9 Ų41.960%0.60124%0.24SC*.Hα-helixtrans-57-30177.8600000113.2L83 L84 N85S81-L83 PolarHBondContact O-N 2.95Å; S81-L84 PolarHBondContact O-N 3.37Å; S81-N85 WeakPolarHBondContact O-CB 3.32Å; S81-N85 PolarHBondContact O-N 2.87Å; S81-N85 PolarHBondContact O-ND2 3.36Å
82G96.7Very high97.3Very high34 Ų3442.1 Ų42.135%0.35124%0.241SC..Hα-helixtrans-57.3-46.3174.300000113P80 N85 A86 Y212P80-G82 PolarHBondContact O-N 2.98Å; P80-G82 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 2.96Å; G82-A86 WeakPolarHBondContact O-CB 3.16Å; G82-A86 PolarHBondContact O-N 2.82Å; G82-Y212 PolarHBondContact O-OH 3.19Å
83L97.7Very high97.4Very high0 Ų035.9 Ų35.90%021%0.213CC..Hα-helixtrans-67.5-41.2177.5178.558.3000111.4V79 P80 S81 N85 A86 L87 L206 L207 Y212 L214V79-L83 HydrophobicContact CB-CD2 4.15Å; V79-L83 HydrophobicContact CG1-CD2 4.1Å; P80-L83 HydrophobicContact CG-CB 4.35Å; P80-L83 PolarHBondContact O-N 2.83Å; P80-L83 VanDerWaalsContact O-N 3.08Å; S81-L83 PolarHBondContact O-N 2.95Å; L83-N85 PolarHBondContact O-N 3.03Å; L83-A86 PolarHBondContact O-N 3.17Å; L83-L87 HydrophobicContact CD1-CD1 3.79Å; L83-L87 HydrophobicContact CD1-CG 4.05Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 2.95Å; L83-L206 HydrophobicContact CD1-CB 3.95Å; L83-L207 HydrophobicContact CD2-CD2 4.21Å; L83-Y212 HydrophobicContact CB-CD1 3.74Å; L83-Y212 HydrophobicContact CB-CD2 4.2Å; L83-Y212 HydrophobicContact CB-CE1 3.66Å; L83-Y212 HydrophobicContact CB-CE2 4.14Å; L83-Y212 HydrophobicContact CB-CG 4Å; L83-Y212 HydrophobicContact CD1-CD2 3.79Å; L83-Y212 HydrophobicContact CD1-CE2 3.7Å; L83-Y212 HydrophobicContact CD1-CG 4.35Å; L83-Y212 HydrophobicContact CD2-CD2 4.46Å; L83-Y212 HydrophobicContact CD2-CG 4.31Å; L83-Y212 HydrophobicContact CG-CD2 4.36Å; L83-Y212 HydrophobicContact CG-CE2 4.46Å; L83-Y212 HydrophobicContact CG-CG 4.45Å; L83-Y212 VanDerWaalsContact N-CE1 3.35Å; L83-L214 HydrophobicContact CD2-CD1 3.53Å
84L97.6Very high97.5Very high3 Ų329 Ų292%0.01619%0.187CC..Hα-helixtrans-59.7-46.3176.9-71174.3000111.9V68 L77 V79 P80 S81 A86 L87 L88 L94 F96V68-L84 HydrophobicContact CG1-CB 3.83Å; L77-L84 HydrophobicContact CD1-CD1 3.33Å; L77-L84 HydrophobicContact CD2-CD1 3.79Å; L77-L84 HydrophobicContact CG-CD1 4.17Å; V79-L84 HydrophobicContact CG2-CD1 4.23Å; V79-L84 HydrophobicContact CG2-CD2 3.76Å; V79-L84 HydrophobicContact CG2-CG 3.77Å; P80-L84 PolarHBondContact O-N 3.23Å; S81-L84 PolarHBondContact O-N 3.37Å; L84-A86 VanDerWaalsContact C-N 3.28Å; L84-A86 PolarHBondContact O-N 3.4Å; L84-L87 PolarHBondContact O-N 3.37Å; L84-L88 WeakPolarHBondContact O-CA 3.42Å; L84-L88 WeakPolarHBondContact O-CB 3.36Å; L84-L88 PolarHBondContact O-N 3.39Å; L84-L94 HydrophobicContact CD2-CD1 3.59Å; L84-F96 HydrophobicContact CD2-CE2 4.21Å; L84-F96 HydrophobicContact CD2-CZ 3.84Å
85N97.5Very high97.6Very high98 Ų9829.6 Ų29.652%0.52419%0.191SC..Hα-helixtrans-70.6-23.7178.6-70.1-48.6000113S81 G82 L83 L88S81-N85 WeakPolarHBondContact O-CB 3.32Å; S81-N85 PolarHBondContact O-N 2.87Å; S81-N85 PolarHBondContact O-ND2 3.36Å; G82-N85 PolarHBondContact O-N 2.96Å; L83-N85 PolarHBondContact O-N 3.03Å; N85-L88 CarbonylContact C-O 3.52Å; N85-L88 VanDerWaalsContact O-O 3.14Å
86A97.6Very high97.6Very high31 Ų3129.6 Ų29.626%0.25619%0.191SC..Hα-helixtrans-77.2-31.2173.500000112.4G82 L83 L84 L206G82-A86 WeakPolarHBondContact O-CB 3.16Å; G82-A86 PolarHBondContact O-N 2.82Å; L83-A86 PolarHBondContact O-N 3.17Å; L84-A86 VanDerWaalsContact C-N 3.28Å; L84-A86 PolarHBondContact O-N 3.4Å; A86-L206 HydrophobicContact CB-CD1 3.8Å; A86-L206 HydrophobicContact CB-CD2 3.99Å
87L98.3Very high97.6Very high2 Ų231.2 Ų31.21%0.0119%0.193CC..Hα-helixtrans-86.9-35.9176.8-68.5170.1000112.3L83 L84 Y92 L94 I183 L206L83-L87 HydrophobicContact CD1-CD1 3.79Å; L83-L87 HydrophobicContact CD1-CG 4.05Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.37Å; L87-Y92 HydrophobicContact CB-CD2 4.09Å; L87-Y92 HydrophobicContact CB-CE2 4.36Å; L87-Y92 HydrophobicContact CD2-CD1 4.17Å; L87-Y92 HydrophobicContact CD2-CD2 4.06Å; L87-Y92 HydrophobicContact CD2-CE1 3.96Å; L87-Y92 HydrophobicContact CD2-CE2 3.79Å; L87-Y92 HydrophobicContact CD2-CG 4.21Å; L87-Y92 WeakPolarHBondContact O-CD2 3.15Å; L87-Y92 WeakPolarHBondContact O-CE2 3.28Å; L87-L94 HydrophobicContact CD1-CD1 4.26Å; L87-L94 HydrophobicContact CD1-CD2 4.01Å; L87-I183 HydrophobicContact CD1-CD1 4.43Å; L87-I183 HydrophobicContact CD2-CD1 4.36Å; L87-L206 HydrophobicContact CD2-CD1 3.69Å; L87-L206 HydrophobicContact CG-CD1 4.12Å
88L98.5Very high97.5Very high4 Ų431 Ų312%0.02119%0.19CC..  trans-123.9141.6-169.8-63.8177.7000112.2V68 I71 L84 N85 L94 V117V68-L88 HydrophobicContact CG2-CB 3.6Å; V68-L88 WeakPolarHBondContact CG2-O 3.29Å; I71-L88 HydrophobicContact CD1-CD1 3.61Å; L84-L88 WeakPolarHBondContact O-CA 3.42Å; L84-L88 WeakPolarHBondContact O-CB 3.36Å; L84-L88 PolarHBondContact O-N 3.39Å; N85-L88 CarbonylContact C-O 3.52Å; N85-L88 VanDerWaalsContact O-O 3.14Å; L88-L94 HydrophobicContact CD1-CD1 3.63Å; L88-L94 HydrophobicContact CD1-CG 4.22Å; L88-L94 HydrophobicContact CG-CD1 4.05Å; L88-V117 HydrophobicContact CB-CB 4.25Å; L88-V117 HydrophobicContact CB-CG2 4.48Å; L88-V117 HydrophobicContact CD1-CG2 4.17Å; L88-V117 HydrophobicContact CD2-CB 4.45Å
89P98.5Very high97.5Very high64 Ų6430.2 Ų30.242%0.41619%0.185SC..SBendcis-70.2148.3-1.9-4.919.9000112.3V117 Q119P89-V117 WeakPolarHBondContact CA-O 3.34Å; P89-V117 HydrophobicContact CB-CB 4.24Å; P89-V117 HydrophobicContact CB-CG1 3.79Å; P89-V117 WeakPolarHBondContact CB-O 3.22Å; P89-V117 HydrophobicContact CG-CG1 3.95Å; P89-Q119 HydrophobicContact CB-CB 4.29Å; P89-Q119 VanDerWaalsContact CB-OE1 3.25Å
90G97.7Very high97.4Very high5 Ų537.7 Ų37.75%0.05222%0.224CC..SBendtrans167.3-175.3-175.600000114.9D34 Y92 V117D34-G90 VanDerWaalsContact OD2-O 3.05Å; G90-Y92 PolarHBondContact O-N 2.86Å; G90-V117 PolarHBondContact N-O 2.87Å; G90-V117 VanDerWaalsContact N-O 3.09Å
91P97.6Very high97.4Very high27 Ų2739.4 Ų39.418%0.17523%0.229CC..SBendtrans-77.737.2-170.535.6-39.4000113.2T35 S180 T181 R198T35-P91 HydrophobicContact CG2-CB 3.44Å; T35-P91 VanDerWaalsContact CG2-CB 3.44Å; P91-S180 CarbonylContact O-C 3.51Å; P91-S180 WeakPolarHBondContact O-CA 3.39Å; P91-S180 WeakPolarHBondContact O-CB 3.45Å; P91-T181 PolarHBondContact O-N 3.36Å; P91-R198 HydrophobicContact CB-CB 3.89Å; P91-R198 HydrophobicContact CB-CG 3.74Å; P91-R198 HydrophobicContact CG-CG 4.1Å
92Y98.5Very high97.4Very high5 Ų535.4 Ų35.42%0.0220%0.201CC..EExtended strand (participates in β ladder)trans-117.4156.5-177.1-53.9-82.2000111.9L87 G90 R116 T181 I183 G199 Y202 G203L87-Y92 HydrophobicContact CB-CD2 4.09Å; L87-Y92 HydrophobicContact CB-CE2 4.36Å; L87-Y92 HydrophobicContact CD2-CD1 4.17Å; L87-Y92 HydrophobicContact CD2-CD2 4.06Å; L87-Y92 HydrophobicContact CD2-CE1 3.96Å; L87-Y92 HydrophobicContact CD2-CE2 3.79Å; L87-Y92 HydrophobicContact CD2-CG 4.21Å; L87-Y92 WeakPolarHBondContact O-CD2 3.15Å; L87-Y92 WeakPolarHBondContact O-CE2 3.28Å; G90-Y92 PolarHBondContact O-N 2.86Å; Y92-R116 PolarHBondContact O-NE 3.43Å; Y92-T181 CarbonylContact C-O 3.59Å; Y92-T181 WeakPolarHBondContact CA-O 3.42Å; Y92-I183 HydrophobicContact CD1-CD1 3.58Å; Y92-I183 HydrophobicContact CE1-CD1 4.14Å; Y92-I183 HydrophobicContact CG-CD1 4.36Å; Y92-G199 PolarHBondContact OH-O 2.91Å; Y92-Y202 WeakPolarHBondContact OH-CD1 3.48Å; Y92-G203 PolarHBondContact OH-N 3.04Å
93T98.4Very high97.3Very high11 Ų1136.3 Ų36.37%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-129.7113.4165.1-560000106.3A62 L95 V115 R116 S180 T181 V182 I183A62-T93 HydrophobicContact CB-CG2 4.06Å; T93-L95 HydrophobicContact CG2-CD2 4.47Å; T93-V115 WeakPolarHBondContact CA-O 3.43Å; T93-R116 HydrophobicContact CG2-CG 3.91Å; T93-R116 WeakPolarHBondContact OG1-CD 3.2Å; T93-R116 WeakPolarHBondContact OG1-CG 3.43Å; T93-R116 PolarHBondContact OG1-NE 3Å; T93-S180 PolarHBondContact OG1-OG 3.4Å; T93-T181 PolarHBondContact N-O 3.1Å; T93-V182 CarbonylContact O-C 3.51Å; T93-V182 VanDerWaalsContact O-CA 3.32Å; T93-V182 WeakPolarHBondContact O-CA 3.35Å; T93-I183 PolarHBondContact O-N 3.33Å
94L98.6Very high96.9Very high0 Ų042.5 Ų42.50%023%0.234CC..EExtended strand (participates in β ladder)trans-98.4127.1-175.1-51.8-175.5000108.4L84 L87 L88 F96 G114 V115 I183 L185L84-L94 HydrophobicContact CD2-CD1 3.59Å; L87-L94 HydrophobicContact CD1-CD1 4.26Å; L87-L94 HydrophobicContact CD1-CD2 4.01Å; L88-L94 HydrophobicContact CD1-CD1 3.63Å; L88-L94 HydrophobicContact CD1-CG 4.22Å; L88-L94 HydrophobicContact CG-CD1 4.05Å; L94-F96 HydrophobicContact CB-CD2 4.23Å; L94-F96 HydrophobicContact CB-CE2 3.5Å; L94-F96 HydrophobicContact CB-CZ 4.11Å; L94-F96 HydrophobicContact CD1-CE2 4.2Å; L94-F96 HydrophobicContact CD1-CZ 4.37Å; L94-G114 CarbonylContact O-C 3.56Å; L94-G114 WeakPolarHBondContact O-CA 3.33Å; L94-V115 HydrophobicContact CB-CG2 3.93Å; L94-V115 PolarHBondContact N-O 2.92Å; L94-V115 WeakPolarHBondContact O-CG2 3.47Å; L94-V115 PolarHBondContact O-N 3.05Å; L94-I183 CarbonylContact C-O 3.58Å; L94-I183 WeakPolarHBondContact CA-O 3.14Å; L94-I183 HydrophobicContact CD2-CB 4.02Å; L94-I183 HydrophobicContact CD2-CD1 3.9Å; L94-I183 HydrophobicContact CD2-CG1 4.38Å; L94-L185 HydrophobicContact CB-CD1 4.32Å; L94-L185 HydrophobicContact CD1-CD1 4.18Å; L94-L185 HydrophobicContact CD2-CD1 4.12Å; L94-L185 HydrophobicContact CG-CD1 4.43Å
95L98.3Very high96.5Very high28 Ų2845.7 Ų45.715%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-93.2132.8175.4-45.3-177.6000109.6T93 V113 G114 V182 I183 D184 L185 S186 V194T93-L95 HydrophobicContact CG2-CD2 4.47Å; L95-V113 WeakPolarHBondContact CA-O 3.46Å; L95-G114 VanDerWaalsContact CD2-CA 3.47Å; L95-V182 HydrophobicContact CD1-CG1 4.07Å; L95-V182 HydrophobicContact CD2-CG1 3.91Å; L95-V182 HydrophobicContact CG-CG1 3.92Å; L95-I183 PolarHBondContact N-O 3.48Å; L95-D184 HydrophobicContact CB-CB 4.34Å; L95-D184 HydrophobicContact CD1-CB 4.17Å; L95-L185 CarbonylContact O-C 3.53Å; L95-L185 WeakPolarHBondContact O-CA 3.19Å; L95-L185 PolarHBondContact O-N 2.79Å; L95-S186 PolarHBondContact O-N 3.4Å; L95-V194 HydrophobicContact CD1-CG2 4.01Å
96F98.1Very high96.3Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-135.8164.7174.9-68-72.2000109.2A75 L77 V79 L84 L94 R98 L112 V113 V115 L185A75-F96 HydrophobicContact CB-CB 3.75Å; A75-F96 HydrophobicContact CB-CD2 4.24Å; A75-F96 HydrophobicContact CB-CG 4.26Å; L77-F96 HydrophobicContact CD2-CD1 4.25Å; L77-F96 HydrophobicContact CD2-CD2 4.18Å; L77-F96 HydrophobicContact CD2-CE1 4.02Å; L77-F96 HydrophobicContact CD2-CE2 3.93Å; L77-F96 HydrophobicContact CD2-CG 4.34Å; L77-F96 HydrophobicContact CD2-CZ 3.87Å; V79-F96 HydrophobicContact CG2-CE1 3.94Å; V79-F96 HydrophobicContact CG2-CZ 3.9Å; L84-F96 HydrophobicContact CD2-CE2 4.21Å; L84-F96 HydrophobicContact CD2-CZ 3.84Å; L94-F96 HydrophobicContact CB-CD2 4.23Å; L94-F96 HydrophobicContact CB-CE2 3.5Å; L94-F96 HydrophobicContact CB-CZ 4.11Å; L94-F96 HydrophobicContact CD1-CE2 4.2Å; L94-F96 HydrophobicContact CD1-CZ 4.37Å; F96-R98 PolarHBondContact O-N 2.76Å; F96-L112 CarbonylContact O-C 3.38Å; F96-L112 WeakPolarHBondContact O-CA 3.31Å; F96-V113 PolarHBondContact N-O 3Å; F96-V113 PolarHBondContact O-N 2.96Å; F96-V115 HydrophobicContact CD2-CG2 3.74Å; F96-V115 HydrophobicContact CE2-CG2 3.79Å; F96-L185 HydrophobicContact CD1-CB 4.12Å; F96-L185 HydrophobicContact CE1-CB 3.48Å; F96-L185 VanDerWaalsContact CE1-CB 3.48Å; F96-L185 HydrophobicContact CE1-CD1 4.17Å; F96-L185 HydrophobicContact CE1-CG 4.47Å; F96-L185 HydrophobicContact CZ-CB 3.89Å; F96-L185 HydrophobicContact CZ-CD1 3.75Å; F96-L185 HydrophobicContact CZ-CG 4.45Å
97E97.5Very high96Very high105 Ų10539.6 Ų39.649%0.49122%0.217SC..EExtended strand (participates in β ladder)trans-60.3137.3162.4-67-167.5158.700109.3A75 V76 L112A75-E97 CarbonylContact C-O 3.6Å; A75-E97 WeakPolarHBondContact CA-O 3.43Å; V76-E97 HydrophobicContact CB-CB 4.23Å; V76-E97 HydrophobicContact CG2-CB 4.46Å; V76-E97 PolarHBondContact N-O 2.75Å; E97-L112 HydrophobicContact CG-CD2 4.04Å
98R96.9Very high95.6Very high39 Ų3943 Ų4315%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-69.6143.1176.171.3-173.8-61.6154.72.3110.3F96 L102 P103 V106 N107 V110 P111 V113F96-R98 PolarHBondContact O-N 2.76Å; R98-L102 HydrophobicContact CB-CD2 4.05Å; R98-L102 PolarHBondContact NH2-O 2.82Å; R98-P103 PolarHBondContact NH2-O 2.62Å; R98-V106 PolarHBondContact NH1-O 2.79Å; R98-V106 PolarHBondContact NH2-O 2.8Å; R98-N107 PolarHBondContact NH1-O 2.89Å; R98-N107 VanDerWaalsContact NH1-O 3.12Å; R98-V110 WeakPolarHBondContact CD-O 3.14Å; R98-V110 PolarHBondContact NH1-O 2.79Å; R98-P111 WeakPolarHBondContact CG-O 3.49Å; R98-P111 PolarHBondContact N-O 3.12Å; R98-V113 HydrophobicContact CB-CB 4.13Å; R98-V113 HydrophobicContact CB-CG1 4Å
99S96.5Very high95.2Very high18 Ų1846.8 Ų46.813%0.12628%0.279CS..PPolyproline II helixtrans-73.8166.3166.374.60000111R73 Y74 D101 L102R73-S99 PolarHBondContact O-OG 2.85Å; Y74-S99 WeakPolarHBondContact CA-OG 3.41Å; Y74-S99 PolarHBondContact O-N 3.36Å; Y74-S99 PolarHBondContact O-OG 2.95Å; Y74-S99 VanDerWaalsContact O-OG 3.12Å; S99-D101 PolarHBondContact O-N 3.3Å; S99-D101 PolarHBondContact OG-N 2.8Å; S99-L102 PolarHBondContact O-N 3.48Å; S99-L102 PolarHBondContact OG-N 3.04Å
100I94.2Very high95Very high170 Ų17045 Ų4587%0.87227%0.266SS*.THydrogen-bonded Turntrans-69.3-20.4172.7-164.7155.4000113.5L102I100-L102 VanDerWaalsContact C-N 3.3Å; I100-L102 PolarHBondContact O-N 3.26Å
101D94.7Very high94.8Very high98 Ų9849 Ų4952%0.52429%0.291SS..THydrogen-bonded Turntrans-78.5-15.6-179.5-75.8-1.5000112.4R73 S99 P103R73-D101 WeakPolarHBondContact O-CB 3.38Å; S99-D101 PolarHBondContact O-N 3.3Å; S99-D101 PolarHBondContact OG-N 2.8Å; D101-P103 WeakPolarHBondContact O-CD 3.46Å
102L95.7Very high94.7Very high1 Ų149.6 Ų49.61%0.00529%0.293CS..SBendtrans-78.1116.5176.4-175.969.5000110L43 V63 Y74 R98 S99 I100 D104 V106 V113L43-L102 HydrophobicContact CD1-CD1 4.31Å; V63-L102 HydrophobicContact CG1-CD1 4.01Å; Y74-L102 HydrophobicContact CD1-CB 4.45Å; Y74-L102 HydrophobicContact CD1-CD1 3.89Å; R98-L102 HydrophobicContact CB-CD2 4.05Å; R98-L102 PolarHBondContact NH2-O 2.82Å; S99-L102 PolarHBondContact O-N 3.48Å; S99-L102 PolarHBondContact OG-N 3.04Å; I100-L102 VanDerWaalsContact C-N 3.3Å; I100-L102 PolarHBondContact O-N 3.26Å; L102-D104 PolarHBondContact O-N 3.22Å; L102-V106 HydrophobicContact CD1-CB 4.32Å; L102-V106 HydrophobicContact CD1-CG1 4.37Å; L102-V106 HydrophobicContact CD1-CG2 4.18Å; L102-V106 HydrophobicContact CD2-CB 4.45Å; L102-V106 HydrophobicContact CD2-CG1 4.3Å; L102-V106 HydrophobicContact CG-CB 4.24Å; L102-V113 HydrophobicContact CD2-CB 3.8Å; L102-V113 HydrophobicContact CD2-CG1 4.31Å; L102-V113 HydrophobicContact CD2-CG2 3.55Å
103P94.1Very high94.7Very high54 Ų5449.4 Ų49.435%0.35129%0.292SS..  trans-56139-175.1-26.334.9000113.4L43 R98 D101 T105 V106L43-P103 HydrophobicContact CD1-CG 4.43Å; R98-P103 PolarHBondContact NH2-O 2.62Å; D101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-T105 PolarHBondContact O-N 3.31Å; P103-T105 VanDerWaalsContact O-N 3.07Å; P103-V106 WeakPolarHBondContact O-CB 3.41Å; P103-V106 PolarHBondContact O-N 2.89Å
104D90.8Very high94.6Very high129 Ų12949.1 Ų49.169%0.6929%0.292SS*.THydrogen-bonded Turntrans-61.2-19178.9-79.3-15.3000113.7L102 V106 P108L102-D104 PolarHBondContact O-N 3.22Å; D104-V106 PolarHBondContact O-N 2.75Å; D104-P108 WeakPolarHBondContact O-CA 3.44Å; D104-P108 WeakPolarHBondContact O-CG 3.38Å
105T89.2Confident94.6Very high71 Ų7149.1 Ų49.144%0.43629%0.292SS..THydrogen-bonded Turntrans-60.8-25.4170.758.70000112.2L43 T46 P103L43-T105 PolarHBondContact O-OG1 2.71Å; L43-T105 VanDerWaalsContact O-OG1 3.13Å; T46-T105 PolarHBondContact OG1-O 2.79Å; P103-T105 PolarHBondContact O-N 3.31Å; P103-T105 VanDerWaalsContact O-N 3.07Å
106V92.8Very high94.6Very high0 Ų048.6 Ų48.60%029%0.288CS..SBendtrans-86.3114173.5-170.50000108.1L43 T46 V63 R98 L102 P103 D104L43-V106 HydrophobicContact CB-CG2 3.79Å; L43-V106 HydrophobicContact CD1-CG2 4.33Å; L43-V106 HydrophobicContact CD2-CG2 3.86Å; L43-V106 HydrophobicContact CG-CG2 4.2Å; T46-V106 HydrophobicContact CG2-CB 4.4Å; T46-V106 HydrophobicContact CG2-CG1 4.46Å; T46-V106 HydrophobicContact CG2-CG2 3.99Å; V63-V106 HydrophobicContact CG1-CG1 3.92Å; R98-V106 PolarHBondContact NH1-O 2.79Å; R98-V106 PolarHBondContact NH2-O 2.8Å; L102-V106 HydrophobicContact CD1-CB 4.32Å; L102-V106 HydrophobicContact CD1-CG1 4.37Å; L102-V106 HydrophobicContact CD1-CG2 4.18Å; L102-V106 HydrophobicContact CD2-CB 4.45Å; L102-V106 HydrophobicContact CD2-CG1 4.3Å; L102-V106 HydrophobicContact CG-CB 4.24Å; P103-V106 WeakPolarHBondContact O-CB 3.41Å; P103-V106 PolarHBondContact O-N 2.89Å; D104-V106 PolarHBondContact O-N 2.75Å
107N92.4Very high94.6Very high1 Ų148.7 Ų48.71%0.00529%0.289CS..SBendtrans50.166179.2-51.4-36.8000113.9Y50 P60 I61 R98 G109 V110Y50-N107 PolarHBondContact OH-OD1 3.02Å; P60-N107 VanDerWaalsContact CA-OD1 3.3Å; P60-N107 WeakPolarHBondContact CA-OD1 3.44Å; P60-N107 HydrophobicContact CB-CB 4.1Å; P60-N107 VanDerWaalsContact CB-CG 3.47Å; I61-N107 PolarHBondContact N-OD1 3.49Å; I61-N107 PolarHBondContact O-ND2 2.78Å; I61-N107 PolarHBondContact O-OD1 3.47Å; R98-N107 PolarHBondContact NH1-O 2.89Å; R98-N107 VanDerWaalsContact NH1-O 3.12Å; N107-G109 PolarHBondContact O-N 3.44Å; N107-V110 HydrophobicContact CB-CB 3.87Å; N107-V110 HydrophobicContact CB-CG2 4.02Å; N107-V110 WeakPolarHBondContact O-CB 3.39Å; N107-V110 PolarHBondContact O-N 3.29Å
108P88.9Confident94.7Very high73 Ų7344 Ų4447%0.47427%0.267SS..THydrogen-bonded Turntrans-56128.1-175.9-21.930.9000112.3D104 V110D104-P108 WeakPolarHBondContact O-CA 3.44Å; D104-P108 WeakPolarHBondContact O-CG 3.38Å; P108-V110 PolarHBondContact O-N 3.41Å
109G90.1Very high94.7Very high83 Ų8348.1 Ų48.186%0.85629%0.288SS*.THydrogen-bonded Turntrans71.75.3179.100000115.5N107N107-G109 PolarHBondContact O-N 3.44Å
110V93.3Very high94.7Very high26 Ų2648.7 Ų48.716%0.15829%0.292CS..  trans-94.9123.8175.9-1740000109.2P60 R98 N107 P108 L112P60-V110 HydrophobicContact CB-CG1 4.24Å; P60-V110 HydrophobicContact CG-CG1 4.24Å; R98-V110 WeakPolarHBondContact CD-O 3.14Å; R98-V110 PolarHBondContact NH1-O 2.79Å; N107-V110 HydrophobicContact CB-CB 3.87Å; N107-V110 HydrophobicContact CB-CG2 4.02Å; N107-V110 WeakPolarHBondContact O-CB 3.39Å; N107-V110 PolarHBondContact O-N 3.29Å; P108-V110 PolarHBondContact O-N 3.41Å; V110-L112 WeakPolarHBondContact CG1-O 3.49Å
111P94.3Very high94.9Very high89 Ų8947.1 Ų47.158%0.57828%0.284SS*.SBendtrans-74.4-27.8-177.428.4-34.5000112.8R98R98-P111 WeakPolarHBondContact CG-O 3.49Å; R98-P111 PolarHBondContact N-O 3.12Å
112L96.3Very high95Very high41 Ų4142.5 Ų42.522%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-96.2142.7-179-54.8-171000112F96 E97 V110 S186F96-L112 CarbonylContact O-C 3.38Å; F96-L112 WeakPolarHBondContact O-CA 3.31Å; E97-L112 HydrophobicContact CG-CD2 4.04Å; V110-L112 WeakPolarHBondContact CG1-O 3.49Å; L112-S186 VanDerWaalsContact CD2-CB 3.48Å
113V97Very high95.2Very high0 Ų042.6 Ų42.60%026%0.259CS..EExtended strand (participates in β ladder)trans-116.5133.9169.363.10000109.6V63 A75 L95 F96 R98 L102 V115V63-V113 HydrophobicContact CG1-CG2 4.22Å; V63-V113 HydrophobicContact CG2-CG2 3.72Å; A75-V113 HydrophobicContact CB-CG1 3.94Å; L95-V113 WeakPolarHBondContact CA-O 3.46Å; F96-V113 PolarHBondContact N-O 3Å; F96-V113 PolarHBondContact O-N 2.96Å; R98-V113 HydrophobicContact CB-CB 4.13Å; R98-V113 HydrophobicContact CB-CG1 4Å; L102-V113 HydrophobicContact CD2-CB 3.8Å; L102-V113 HydrophobicContact CD2-CG1 4.31Å; L102-V113 HydrophobicContact CD2-CG2 3.55Å; V113-V115 HydrophobicContact CG1-CG1 4.23Å
114G97.8Very high95.3Very high5 Ų540.6 Ų40.65%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-84.4122.7166.800000110.3A62 V63 L94 L95A62-G114 CarbonylContact C-O 3.5Å; A62-G114 WeakPolarHBondContact CA-O 3Å; A62-G114 WeakPolarHBondContact CB-O 3.34Å; V63-G114 PolarHBondContact N-O 3.13Å; L94-G114 CarbonylContact O-C 3.56Å; L94-G114 WeakPolarHBondContact O-CA 3.33Å; L95-G114 VanDerWaalsContact CD2-CA 3.47Å
115V98.2Very high95.7Very high0 Ų037 Ų370%023%0.226CC..EExtended strand (participates in β ladder)trans-104.6139.4175.6-57.90000110.4V63 L65 I71 A75 T93 L94 F96 V113V63-V115 HydrophobicContact CG2-CB 4.48Å; V63-V115 HydrophobicContact CG2-CG1 3.9Å; L65-V115 HydrophobicContact CD1-CB 3.92Å; L65-V115 HydrophobicContact CD1-CG1 4.23Å; I71-V115 HydrophobicContact CD1-CG2 4.31Å; I71-V115 HydrophobicContact CG2-CB 4.38Å; I71-V115 HydrophobicContact CG2-CG1 4.24Å; I71-V115 HydrophobicContact CG2-CG2 3.98Å; A75-V115 HydrophobicContact CB-CG1 4.02Å; T93-V115 WeakPolarHBondContact CA-O 3.43Å; L94-V115 HydrophobicContact CB-CG2 3.93Å; L94-V115 PolarHBondContact N-O 2.92Å; L94-V115 WeakPolarHBondContact O-CG2 3.47Å; L94-V115 PolarHBondContact O-N 3.05Å; F96-V115 HydrophobicContact CD2-CG2 3.74Å; F96-V115 HydrophobicContact CE2-CG2 3.79Å; V113-V115 HydrophobicContact CG1-CG1 4.23Å
116R98.2Very high96.2Very high17 Ų1733.6 Ų33.66%0.06421%0.206CC..EExtended strand (participates in β ladder)trans-131141.7172.5-63.5-163.775-163.1-9.1110.1D34 T35 A62 V63 C64 L65 Y92 T93D34-R116 IonicContact OD1-NH2 3.57Å; D34-R116 PolarHBondContact OD1-NH2 3.26Å; T35-R116 PolarHBondContact OG1-NH2 3.5Å; A62-R116 HydrophobicContact CB-CG 4.25Å; V63-R116 PolarHBondContact O-N 2.84Å; C64-R116 CarbonylContact C-O 3.51Å; C64-R116 WeakPolarHBondContact CA-O 3.43Å; L65-R116 PolarHBondContact N-O 3.18Å; Y92-R116 PolarHBondContact O-NE 3.43Å; T93-R116 HydrophobicContact CG2-CG 3.91Å; T93-R116 WeakPolarHBondContact OG1-CD 3.2Å; T93-R116 WeakPolarHBondContact OG1-CG 3.43Å; T93-R116 PolarHBondContact OG1-NE 3Å
117V98.6Very high96.4Very high3 Ų333.7 Ų33.72%0.01821%0.206CC..  trans-122.4104.8160.3-1730000105.1L65 V68 I71 L88 P89 G90L65-V117 HydrophobicContact CB-CG2 4.35Å; V68-V117 HydrophobicContact CG2-CG2 4.36Å; I71-V117 HydrophobicContact CD1-CG2 4.12Å; I71-V117 HydrophobicContact CG1-CG2 4.44Å; L88-V117 HydrophobicContact CB-CB 4.25Å; L88-V117 HydrophobicContact CB-CG2 4.48Å; L88-V117 HydrophobicContact CD1-CG2 4.17Å; L88-V117 HydrophobicContact CD2-CB 4.45Å; P89-V117 WeakPolarHBondContact CA-O 3.34Å; P89-V117 HydrophobicContact CB-CB 4.24Å; P89-V117 HydrophobicContact CB-CG1 3.79Å; P89-V117 WeakPolarHBondContact CB-O 3.22Å; P89-V117 HydrophobicContact CG-CG1 3.95Å; G90-V117 PolarHBondContact N-O 2.87Å; G90-V117 VanDerWaalsContact N-O 3.09Å
118V98.3Very high96.7Very high6 Ų639.8 Ų39.84%0.03623%0.229CC..  trans-75.7137-175177.90000109T33 D34 S120 I123 L136T33-V118 HydrophobicContact CG2-CG1 4.48Å; D34-V118 HydrophobicContact CB-CG1 4.09Å; V118-S120 PolarHBondContact O-N 3.36Å; V118-I123 HydrophobicContact CB-CD1 4.02Å; V118-I123 HydrophobicContact CB-CG2 4.36Å; V118-I123 HydrophobicContact CG1-CD1 3.59Å; V118-I123 HydrophobicContact CG2-CD1 4.32Å; V118-L136 HydrophobicContact CG2-CD2 4.08Å
119Q97.8Very high97.2Very high126 Ų12640.3 Ų40.359%0.58923%0.225SC*.SBendtrans-71.273.3172.4-174.36522.500110.5D34 P89D34-Q119 HydrophobicContact CB-CB 3.98Å; D34-Q119 PolarHBondContact OD2-N 3.48Å; P89-Q119 HydrophobicContact CB-CB 4.29Å; P89-Q119 VanDerWaalsContact CB-OE1 3.25Å
120S97.1Very high97.6Very high30 Ų3037.1 Ų37.121%0.2119%0.189CC..  trans-155.6117.6-178.9173.90000111V118 F122 I123 A124V118-S120 PolarHBondContact O-N 3.36Å; S120-F122 PolarHBondContact O-N 2.92Å; S120-F122 PolarHBondContact OG-N 2.84Å; S120-I123 PolarHBondContact O-N 2.85Å; S120-I123 PolarHBondContact OG-N 2.91Å; S120-A124 WeakPolarHBondContact O-CB 3.36Å; S120-A124 PolarHBondContact O-N 3.39Å
121I97Very high97.7Very high136 Ų13638.9 Ų38.970%0.69721%0.213SC*.Hα-helixtrans-59-40.2175.3-62.3173.9000110.2A124 E125I121-A124 PolarHBondContact O-N 2.95Å; I121-E125 WeakPolarHBondContact O-CB 3.21Å; I121-E125 PolarHBondContact O-N 3.39Å
122F98.1Very high97.8Very high2 Ų237.2 Ų37.21%0.00920%0.197CC..Hα-helixtrans-56.1-54.4176.7170.2-105.2000111.7L9 M12 C15 I16 A19 F31 S120 E125 V126 V164L9-F122 HydrophobicContact CD1-CB 4.49Å; L9-F122 HydrophobicContact CD1-CD2 3.93Å; L9-F122 HydrophobicContact CD1-CE2 4.39Å; L9-F122 HydrophobicContact CD1-CG 4.1Å; M12-F122 HydrophobicContact CE-CB 4.33Å; M12-F122 HydrophobicContact SD-CB 3.69Å; M12-F122 HydrophobicContact SD-CD2 3.96Å; M12-F122 HydrophobicContact SD-CG 4.31Å; C15-F122 HydrophobicContact CB-CD2 4.28Å; C15-F122 HydrophobicContact CB-CE2 3.79Å; I16-F122 HydrophobicContact CG1-CD2 3.67Å; I16-F122 HydrophobicContact CG1-CE2 3.96Å; A19-F122 HydrophobicContact CB-CE2 4.43Å; A19-F122 HydrophobicContact CB-CZ 3.97Å; F31-F122 HydrophobicContact CB-CE1 3.73Å; F31-F122 HydrophobicContact CD1-CE1 4.1Å; F31-F122 AromaticContact CG-CE1 3.97Å; F31-F122 HydrophobicContact CG-CE1 3.97Å; S120-F122 PolarHBondContact O-N 2.92Å; S120-F122 PolarHBondContact OG-N 2.84Å; F122-E125 PolarHBondContact O-N 3.46Å; F122-V126 HydrophobicContact CD2-CG2 4.23Å; F122-V126 HydrophobicContact CE1-CG2 4.29Å; F122-V126 HydrophobicContact CE2-CG2 3.77Å; F122-V126 HydrophobicContact CZ-CG2 3.8Å; F122-V126 VanDerWaalsContact O-CG2 3.3Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 3.37Å; F122-V164 HydrophobicContact CE1-CG1 4.43Å; F122-V164 HydrophobicContact CZ-CB 4.43Å; F122-V164 HydrophobicContact CZ-CG1 4.19Å; F122-V164 HydrophobicContact CZ-CG2 3.98Å
123I98.1Very high97.9Very high2 Ų235.4 Ų35.41%0.0119%0.188CC..Hα-helixtrans-66.9-42.6-177.1-66.7168.1000110.8F31 P32 T33 V118 S120 E125 V126 C127F31-I123 HydrophobicContact CD2-CD1 3.6Å; F31-I123 HydrophobicContact CD2-CG1 3.81Å; F31-I123 HydrophobicContact CE2-CD1 3.49Å; F31-I123 VanDerWaalsContact CE2-CD1 3.49Å; F31-I123 HydrophobicContact CE2-CG1 3.69Å; F31-I123 HydrophobicContact CZ-CD1 4.48Å; F31-I123 HydrophobicContact CZ-CG1 4.28Å; P32-I123 WeakPolarHBondContact O-CD1 3.3Å; T33-I123 HydrophobicContact CG2-CD1 3.96Å; V118-I123 HydrophobicContact CB-CD1 4.02Å; V118-I123 HydrophobicContact CB-CG2 4.36Å; V118-I123 HydrophobicContact CG1-CD1 3.59Å; V118-I123 HydrophobicContact CG2-CD1 4.32Å; S120-I123 PolarHBondContact O-N 2.85Å; S120-I123 PolarHBondContact OG-N 2.91Å; I123-E125 VanDerWaalsContact C-N 3.28Å; I123-E125 PolarHBondContact O-N 3.47Å; I123-V126 PolarHBondContact O-N 2.88Å; I123-C127 PolarHBondContact O-N 3.32Å; I123-C127 PolarHBondContact O-SG 2.79Å; I123-C127 VanDerWaalsContact O-SG 3.39Å
124A98.2Very high98Very high12 Ų1235.5 Ų35.510%0.09919%0.188CC..Hα-helixtrans-57.8-44.4177.900000111.1P66 S120 I121 C127 R128P66-A124 WeakPolarHBondContact CB-O 3.47Å; S120-A124 WeakPolarHBondContact O-CB 3.36Å; S120-A124 PolarHBondContact O-N 3.39Å; I121-A124 PolarHBondContact O-N 2.95Å; A124-C127 PolarHBondContact O-N 2.95Å; A124-R128 WeakPolarHBondContact O-CG 3.3Å; A124-R128 PolarHBondContact O-N 3.05Å
125E98.4Very high98Very high53 Ų5335.2 Ų35.225%0.24819%0.186CC..Hα-helixtrans-72-37.1-179.7-169.154.1-154.500113I16 I121 F122 I123 C127 R128 Q129I16-E125 HydrophobicContact CD1-CB 3.85Å; I16-E125 HydrophobicContact CD1-CG 3.69Å; I16-E125 HydrophobicContact CG1-CB 4.46Å; I16-E125 HydrophobicContact CG1-CG 4.48Å; I16-E125 HydrophobicContact CG2-CG 4.13Å; I121-E125 WeakPolarHBondContact O-CB 3.21Å; I121-E125 PolarHBondContact O-N 3.39Å; F122-E125 PolarHBondContact O-N 3.46Å; I123-E125 VanDerWaalsContact C-N 3.28Å; I123-E125 PolarHBondContact O-N 3.47Å; E125-C127 VanDerWaalsContact C-N 3.35Å; E125-C127 PolarHBondContact O-N 3.17Å; E125-R128 PolarHBondContact O-N 2.79Å; E125-R128 IonicContact OE2-CZ 3.77Å; E125-R128 IonicContact OE2-NH1 2.71Å; E125-R128 PolarHBondContact OE2-NH1 3.31Å; E125-Q129 HydrophobicContact CG-CG 4.46Å; E125-Q129 WeakPolarHBondContact O-CG 3.18Å; E125-Q129 PolarHBondContact O-N 3.29Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.47Å; E125-Q129 PolarHBondContact OE1-NE2 2.99Å
126V98.6Very high97.9Very high0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-58.1-47.6170.8172.40000110.6I16 A19 V20 L23 F122 I123 R128 Q129 V130 L134I16-V126 HydrophobicContact CB-CG2 4.4Å; I16-V126 HydrophobicContact CG1-CG2 4.22Å; I16-V126 HydrophobicContact CG2-CG2 4.19Å; A19-V126 HydrophobicContact CB-CG1 4.37Å; A19-V126 HydrophobicContact CB-CG2 3.96Å; V20-V126 HydrophobicContact CG2-CB 4.48Å; V20-V126 HydrophobicContact CG2-CG1 4.22Å; V20-V126 HydrophobicContact CG2-CG2 4.47Å; L23-V126 HydrophobicContact CD1-CG1 3.44Å; L23-V126 VanDerWaalsContact CD1-CG1 3.44Å; F122-V126 HydrophobicContact CD2-CG2 4.23Å; F122-V126 HydrophobicContact CE1-CG2 4.29Å; F122-V126 HydrophobicContact CE2-CG2 3.77Å; F122-V126 HydrophobicContact CZ-CG2 3.8Å; F122-V126 VanDerWaalsContact O-CG2 3.3Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 3.37Å; I123-V126 PolarHBondContact O-N 2.88Å; V126-R128 PolarHBondContact O-N 2.85Å; V126-Q129 PolarHBondContact O-N 3.32Å; V126-V130 HydrophobicContact CG1-CG2 4.2Å; V126-V130 VanDerWaalsContact O-CB 3.32Å; V126-V130 WeakPolarHBondContact O-CB 3.38Å; V126-V130 VanDerWaalsContact O-CG2 3.24Å; V126-V130 WeakPolarHBondContact O-CG2 3.32Å; V126-V130 PolarHBondContact O-N 2.84Å; V126-L134 HydrophobicContact CG1-CD1 4.07Å
127C98.3Very high97.7Very high2 Ų235.6 Ų35.61%0.01419%0.19CC..Hα-helixtrans-58.9-44.8176.9-700000111.9P66 I123 A124 E125 V130 G131P66-C127 HydrophobicContact CB-CB 3.91Å; P66-C127 HydrophobicContact CG-CB 4.32Å; I123-C127 PolarHBondContact O-N 3.32Å; I123-C127 PolarHBondContact O-SG 2.79Å; I123-C127 VanDerWaalsContact O-SG 3.39Å; A124-C127 PolarHBondContact O-N 2.95Å; E125-C127 VanDerWaalsContact C-N 3.35Å; E125-C127 PolarHBondContact O-N 3.17Å; C127-V130 PolarHBondContact O-N 3.44Å; C127-G131 PolarHBondContact O-N 3.1Å
128R98.2Very high97.5Very high130 Ų13036.8 Ų36.849%0.49120%0.198SC..Hα-helixtrans-60.9-47177.8-70.3-177.1-158.5113.15112.4P66 A124 E125 V126 G131P66-R128 HydrophobicContact CB-CG 3.66Å; P66-R128 HydrophobicContact CG-CG 4.21Å; A124-R128 WeakPolarHBondContact O-CG 3.3Å; A124-R128 PolarHBondContact O-N 3.05Å; E125-R128 PolarHBondContact O-N 2.79Å; E125-R128 IonicContact OE2-CZ 3.77Å; E125-R128 IonicContact OE2-NH1 2.71Å; E125-R128 PolarHBondContact OE2-NH1 3.31Å; V126-R128 PolarHBondContact O-N 2.85Å; R128-G131 WeakPolarHBondContact O-CA 3.35Å; R128-G131 PolarHBondContact O-N 3.34Å; R128-G131 VanDerWaalsContact O-N 3.13Å
129Q98.5Very high97.2Very high84 Ų8436.5 Ų36.539%0.39320%0.197SC..Hα-helixtrans-75.6-28.2-177.3-69.1-169.927.500113.4V20 K24 E125 V126 G131V20-Q129 HydrophobicContact CG1-CB 4.14Å; V20-Q129 HydrophobicContact CG2-CB 3.61Å; K24-Q129 WeakPolarHBondContact CE-O 3.34Å; K24-Q129 PolarHBondContact NZ-O 3.34Å; E125-Q129 HydrophobicContact CG-CG 4.46Å; E125-Q129 WeakPolarHBondContact O-CG 3.18Å; E125-Q129 PolarHBondContact O-N 3.29Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.47Å; E125-Q129 PolarHBondContact OE1-NE2 2.99Å; V126-Q129 PolarHBondContact O-N 3.32Å; Q129-G131 VanDerWaalsContact C-N 3.26Å
130V98.3Very high96.5Very high15 Ų1530.9 Ų30.99%0.09117%0.17CC..Hα-helixtrans-63.7-37.7166.3168.50000110.2V20 L23 K24 T42 V126 C127 Q132 L134V20-V130 HydrophobicContact CB-CG2 4.45Å; V20-V130 HydrophobicContact CG1-CG2 4.24Å; V20-V130 HydrophobicContact CG2-CG2 4.24Å; L23-V130 HydrophobicContact CB-CG2 4.03Å; L23-V130 HydrophobicContact CD1-CG2 3.99Å; K24-V130 WeakPolarHBondContact CE-O 3.38Å; T42-V130 HydrophobicContact CG2-CG1 3.83Å; V126-V130 HydrophobicContact CG1-CG2 4.2Å; V126-V130 VanDerWaalsContact O-CB 3.32Å; V126-V130 WeakPolarHBondContact O-CB 3.38Å; V126-V130 VanDerWaalsContact O-CG2 3.24Å; V126-V130 WeakPolarHBondContact O-CG2 3.32Å; V126-V130 PolarHBondContact O-N 2.84Å; C127-V130 PolarHBondContact O-N 3.44Å; V130-Q132 HydrophobicContact CG1-CG 3.72Å; V130-L134 HydrophobicContact CB-CD2 4.42Å; V130-L134 HydrophobicContact CG1-CD2 4.01Å; V130-L134 HydrophobicContact CG2-CD2 4.34Å
131G97.2Very high95.2Very high64 Ų6431.5 Ų31.566%0.6617%0.173SC*.THydrogen-bonded Turntrans90.112.1176.500000114C127 R128 Q129C127-G131 PolarHBondContact O-N 3.1Å; R128-G131 WeakPolarHBondContact O-CA 3.35Å; R128-G131 PolarHBondContact O-N 3.34Å; R128-G131 VanDerWaalsContact O-N 3.13Å; Q129-G131 VanDerWaalsContact C-N 3.26Å
132Q96.1Very high93.6Very high54 Ų5426.3 Ų26.325%0.25215%0.149SC..SBendtrans-157.3164.9177.256170.4-15.800110.7T42 E44 V130T42-Q132 VanDerWaalsContact CB-NE2 3.33Å; E44-Q132 PolarHBondContact OE2-NE2 3.07Å; V130-Q132 HydrophobicContact CG1-CG 3.72Å
133P97.6Very high92Very high3 Ų333.2 Ų33.22%0.01919%0.186CC..PPolyproline II helixtrans-57.6154.9168.7-22.733.2000112L43 V63 C64 L65 Y74L43-P133 HydrophobicContact CD1-CB 4.39Å; L43-P133 HydrophobicContact CD2-CB 4.41Å; L43-P133 WeakPolarHBondContact CG-O 3.24Å; V63-P133 HydrophobicContact CB-CB 4.3Å; C64-P133 VanDerWaalsContact O-CA 3.3Å; C64-P133 WeakPolarHBondContact O-CA 3.43Å; L65-P133 HydrophobicContact CD2-CG 4.22Å; L65-P133 HydrophobicContact CG-CB 4.32Å; L65-P133 HydrophobicContact CG-CG 4.26Å; Y74-P133 HydrophobicContact CD1-CG 4.18Å; Y74-P133 HydrophobicContact CD2-CG 3.83Å; Y74-P133 HydrophobicContact CE1-CG 3.76Å; Y74-P133 HydrophobicContact CE2-CG 3.37Å; Y74-P133 HydrophobicContact CG-CG 4.21Å; Y74-P133 VanDerWaalsContact CZ-CD 3.42Å; Y74-P133 WeakPolarHBondContact OH-CD 3.15Å
134L98.5Very high90.8Very high1 Ų135.2 Ų35.21%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-102139.7171.6-58.8179.6000110.1L23 F31 A40 T42 V63 C64 V126 V130 L136L23-L134 HydrophobicContact CD1-CD1 3.81Å; L23-L134 HydrophobicContact CD1-CD2 3.97Å; L23-L134 HydrophobicContact CD2-CD2 4.38Å; F31-L134 HydrophobicContact CZ-CD1 4.5Å; A40-L134 HydrophobicContact CB-CB 4.27Å; A40-L134 HydrophobicContact CB-CD1 4.19Å; T42-L134 HydrophobicContact CG2-CD2 4.37Å; V63-L134 CarbonylContact C-O 3.58Å; V63-L134 WeakPolarHBondContact CA-O 3.38Å; C64-L134 HydrophobicContact CB-CB 4.47Å; C64-L134 PolarHBondContact N-O 3.33Å; C64-L134 PolarHBondContact O-N 2.92Å; V126-L134 HydrophobicContact CG1-CD1 4.07Å; V130-L134 HydrophobicContact CB-CD2 4.42Å; V130-L134 HydrophobicContact CG1-CD2 4.01Å; V130-L134 HydrophobicContact CG2-CD2 4.34Å; L134-L136 PolarHBondContact O-N 3.18Å
135A97.7Very high90.2Very high0 Ų039.1 Ų39.10%022%0.223CC..EExtended strand (participates in β ladder)trans-72.4121.6163.300000107.8A40 V41 L43 T46 L49 I61A40-A135 WeakPolarHBondContact CA-O 3.48Å; V41-A135 HydrophobicContact CG2-CB 3.97Å; V41-A135 PolarHBondContact N-O 3.49Å; V41-A135 VanDerWaalsContact N-O 3.12Å; V41-A135 PolarHBondContact O-N 2.92Å; L43-A135 HydrophobicContact CD2-CB 4.26Å; T46-A135 HydrophobicContact CG2-CB 3.53Å; L49-A135 HydrophobicContact CD1-CB 3.99Å; L49-A135 WeakPolarHBondContact CD1-O 3.46Å; I61-A135 HydrophobicContact CG2-CB 4Å
136L97.1Very high89.8Confident5 Ų537.4 Ų37.43%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-129133.6-171.4179.868.1000111F31 A40 I61 A62 C64 V118 L134F31-L136 HydrophobicContact CE2-CD1 3.79Å; F31-L136 HydrophobicContact CZ-CD1 3.89Å; A40-L136 HydrophobicContact CB-CD1 4.02Å; I61-L136 WeakPolarHBondContact CG2-O 3.29Å; A62-L136 PolarHBondContact N-O 3.2Å; A62-L136 PolarHBondContact O-N 2.56Å; C64-L136 HydrophobicContact CB-CB 3.84Å; C64-L136 HydrophobicContact CB-CD2 3.74Å; C64-L136 HydrophobicContact CB-CG 4.41Å; V118-L136 HydrophobicContact CG2-CD2 4.08Å; L134-L136 PolarHBondContact O-N 3.18Å
137T94.8Very high89.6Confident19 Ų1937.4 Ų37.412%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-144.9165.5172.6-172.20000109.9G38 I39 L49 K53G38-T137 CarbonylContact C-O 3.56Å; G38-T137 WeakPolarHBondContact CA-O 3.17Å; I39-T137 HydrophobicContact CD1-CG2 4.03Å; I39-T137 HydrophobicContact CG1-CG2 3.62Å; I39-T137 PolarHBondContact N-O 3.21Å; I39-T137 PolarHBondContact O-N 3.36Å; I39-T137 VanDerWaalsContact O-N 3.12Å; L49-T137 HydrophobicContact CB-CG2 4.44Å; L49-T137 HydrophobicContact CD1-CG2 4.09Å; L49-T137 HydrophobicContact CD2-CG2 4.32Å; K53-T137 HydrophobicContact CD-CG2 3.36Å; K53-T137 VanDerWaalsContact CE-OG1 3.3Å; K53-T137 WeakPolarHBondContact CE-OG1 3.08Å; K53-T137 PolarHBondContact NZ-OG1 3Å
138S93.6Very high89.5Confident29 Ų2938.1 Ų38.120%0.20322%0.219CC..EExtended strand (participates in β ladder)trans-61.9143.7179.259.40000111.9I36 K53 N140I36-S138 VanDerWaalsContact CD1-CB 3.49Å; K53-S138 PolarHBondContact NZ-O 3.3Å; K53-S138 PolarHBondContact NZ-OG 3.47Å; S138-N140 WeakPolarHBondContact CB-OD1 3.47Å; S138-N140 PolarHBondContact O-N 2.55Å; S138-N140 PolarHBondContact OG-OD1 3.28Å
139A91.1Very high89.3Confident0 Ų032.9 Ų32.90%020%0.204CC..SBendtrans-79.257178.600000111.2Y37 I39 S147 F153Y37-A139 WeakPolarHBondContact O-CB 3.27Å; Y37-A139 PolarHBondContact O-N 3.23Å; I39-A139 HydrophobicContact CG2-CB 3.86Å; A139-S147 WeakPolarHBondContact O-CB 3.34Å; A139-S147 PolarHBondContact O-OG 3.24Å; A139-F153 HydrophobicContact CB-CD1 4.11Å; A139-F153 HydrophobicContact CB-CD2 4.27Å; A139-F153 HydrophobicContact CB-CE1 4.29Å; A139-F153 HydrophobicContact CB-CE2 4.5Å; A139-F153 HydrophobicContact CB-CG 4.07Å; A139-F153 HydrophobicContact CB-CZ 4.49Å; A139-F153 WeakPolarHBondContact O-CB 3.41Å; A139-F153 WeakPolarHBondContact O-CG 3.41Å
140N83.3Confident89.2Confident7 Ų729.5 Ų29.54%0.03719%0.189CC..SBendtrans-148.7147178.376.6-78000109.8K53 S138 S144K53-N140 PolarHBondContact NZ-O 3.04Å; S138-N140 WeakPolarHBondContact CB-OD1 3.47Å; S138-N140 PolarHBondContact O-N 2.55Å; S138-N140 PolarHBondContact OG-OD1 3.28Å; N140-S144 VanDerWaalsContact CB-OG 3.26Å; N140-S144 WeakPolarHBondContact CB-OG 3.25Å; N140-S144 PolarHBondContact ND2-O 3.19Å; N140-S144 PolarHBondContact ND2-OG 3.27Å
141V71.3Confident88.9Confident44 Ų4432.6 Ų32.627%0.26721%0.211SC..  trans-59.5143.4172.7-177.70000108.8N143 S144 E155 L156V141-N143 PolarHBondContact O-N 3.47Å; V141-S144 PolarHBondContact N-OG 2.67Å; V141-S144 WeakPolarHBondContact O-CB 3.5Å; V141-S144 PolarHBondContact O-N 2.78Å; V141-S144 PolarHBondContact O-OG 3.22Å; V141-E155 HydrophobicContact CG2-CG 3.63Å; V141-L156 HydrophobicContact CG2-CD2 3.72Å
142S62.8Low88.7Confident27 Ų2731.4 Ų31.419%0.18919%0.19CC..THydrogen-bonded Turntrans-52.3129.9-176.1-99.10000112.2S144S142-S144 VanDerWaalsContact C-N 3.33Å
143N64Low88.6Confident146 Ų14628.9 Ų28.978%0.78118%0.177SC*.THydrogen-bonded Turntrans72.69.7-177.4-45.5-28.3000116V141V141-N143 PolarHBondContact O-N 3.47Å
144S73Confident88.2Confident45 Ų4533.9 Ų33.932%0.31520%0.201SC..SBendtrans-84.5172167.671.40000112.2N140 V141 S142N140-S144 VanDerWaalsContact CB-OG 3.26Å; N140-S144 WeakPolarHBondContact CB-OG 3.25Å; N140-S144 PolarHBondContact ND2-O 3.19Å; N140-S144 PolarHBondContact ND2-OG 3.27Å; V141-S144 PolarHBondContact N-OG 2.67Å; V141-S144 WeakPolarHBondContact O-CB 3.5Å; V141-S144 PolarHBondContact O-N 2.78Å; V141-S144 PolarHBondContact O-OG 3.22Å; S142-S144 VanDerWaalsContact C-N 3.33Å
145T85.1Confident87.8Confident94 Ų9438.2 Ų38.258%0.57722%0.221SC*.PPolyproline II helixtrans-58.2144.8175.442.70000111.9
146N90.4Very high87.5Confident16 Ų1638.3 Ų38.39%0.08622%0.221CC..PPolyproline II helixtrans-59.9140.2173.6-73.8-28.9000111.4I36 R175 H176 S178 G179I36-N146 HydrophobicContact CD1-CB 4.44Å; I36-N146 HydrophobicContact CG2-CB 3.91Å; N146-R175 HydrophobicContact CB-CG 4.32Å; N146-R175 WeakPolarHBondContact CB-O 3.35Å; N146-R175 PolarHBondContact ND2-O 3.36Å; N146-R175 PolarHBondContact O-NH1 3.32Å; N146-H176 PolarHBondContact ND2-O 3.09Å; N146-S178 VanDerWaalsContact CB-OG 3.31Å; N146-S178 WeakPolarHBondContact CB-OG 3.49Å; N146-S178 PolarHBondContact ND2-OG 2.82Å; N146-G179 PolarHBondContact ND2-N 3.36Å
147S94.5Very high87.3Confident0 Ų040.2 Ų40.20%023%0.229CC..  trans-90.1111.5-177-60.40000111.8I36 Y37 A139I36-S147 CarbonylContact C-O 3.52Å; I36-S147 WeakPolarHBondContact CA-O 3.45Å; I36-S147 WeakPolarHBondContact CB-O 3.4Å; Y37-S147 PolarHBondContact N-O 3.23Å; A139-S147 WeakPolarHBondContact O-CB 3.34Å; A139-S147 PolarHBondContact O-OG 3.24Å
148L95.7Very high87.1Confident18 Ų1843.4 Ų43.49%0.09425%0.25CS..SBendtrans-104.1-18.3178.8-65.3176.5000112.3I36 Y37 D152 A168 I169 R175I36-L148 HydrophobicContact CG2-CD2 3.95Å; Y37-L148 WeakPolarHBondContact CE2-O 3.23Å; L148-D152 WeakPolarHBondContact CA-OD2 3.39Å; L148-D152 PolarHBondContact N-OD2 2.89Å; L148-A168 CarbonylContact O-C 3.43Å; L148-A168 WeakPolarHBondContact O-CA 3.36Å; L148-I169 HydrophobicContact CD2-CB 4.11Å; L148-I169 HydrophobicContact CD2-CG2 4.22Å; L148-I169 PolarHBondContact O-N 3.34Å; L148-R175 HydrophobicContact CD1-CG 4.24Å
149A95.2Very high87.1Confident20 Ų2047.3 Ų47.317%0.16526%0.262CS..SBendtrans-138.9163.9174.100000110.6S151 D152 F153 A168A149-S151 PolarHBondContact O-N 3.48Å; A149-D152 PolarHBondContact N-OD2 3.08Å; A149-D152 WeakPolarHBondContact O-CB 3.39Å; A149-D152 PolarHBondContact O-N 3.4Å; A149-F153 WeakPolarHBondContact O-CD1 3.3Å; A149-F153 VanDerWaalsContact O-CE1 3.29Å; A149-F153 WeakPolarHBondContact O-CE1 3.41Å; A149-A168 HydrophobicContact CB-CB 4.35Å
150V94.9Very high87.3Confident13 Ų1347.8 Ų47.88%0.07926%0.264CS..G310 helixtrans-54.1-37.6176.81740000112.1Y37 D152 F153 H154 F157 V163 D165Y37-V150 HydrophobicContact CE1-CG2 3.94Å; V150-D152 PolarHBondContact O-N 2.94Å; V150-D152 VanDerWaalsContact O-N 3.1Å; V150-F153 VanDerWaalsContact CA-CE1 3.45Å; V150-F153 HydrophobicContact CB-CZ 4.32Å; V150-F153 HydrophobicContact CG1-CZ 4.42Å; V150-F153 HydrophobicContact CG2-CZ 4.18Å; V150-F153 PolarHBondContact O-N 2.84Å; V150-H154 PolarHBondContact O-CD2 3.39Å; V150-F157 HydrophobicContact CG1-CE2 3.99Å; V150-F157 HydrophobicContact CG1-CZ 3.52Å; V150-V163 HydrophobicContact CG1-CG1 4.13Å; V150-V163 HydrophobicContact CG2-CG1 3.96Å; V150-D165 HydrophobicContact CG2-CB 3.81Å; V150-D165 VanDerWaalsContact CG2-CG 3.46Å
151S93.1Very high87.9Confident80 Ų8050.1 Ų50.156%0.55928%0.281SS*.G310 helixtrans-58.4-22.2177.258.20000114.8A149 F153 H154A149-S151 PolarHBondContact O-N 3.48Å; S151-F153 VanDerWaalsContact C-N 3.28Å; S151-F153 PolarHBondContact O-N 2.97Å; S151-H154 WeakPolarHBondContact CA-NE2 3.43Å
152D93.7Very high89.2Confident39 Ų3948.2 Ų48.221%0.20927%0.269CS..G310 helixtrans-79.3-8.7-174.6-62.7-34.7000113.7L148 A149 V150 R175L148-D152 WeakPolarHBondContact CA-OD2 3.39Å; L148-D152 PolarHBondContact N-OD2 2.89Å; A149-D152 PolarHBondContact N-OD2 3.08Å; A149-D152 WeakPolarHBondContact O-CB 3.39Å; A149-D152 PolarHBondContact O-N 3.4Å; V150-D152 PolarHBondContact O-N 2.94Å; V150-D152 VanDerWaalsContact O-N 3.1Å; D152-R175 VanDerWaalsContact CG-NH1 3.3Å; D152-R175 IonicContact OD1-NH1 3.59Å; D152-R175 IonicContact OD1-NH2 2.92Å; D152-R175 IonicContact OD2-CZ 3.95Å; D152-R175 IonicContact OD2-NH1 3.71Å; D152-R175 PolarHBondContact OD2-NH1 2.92Å; D152-R175 IonicContact OD2-NH2 2.91Å
153F92.9Very high90.8Very high0 Ų047.2 Ų47.20%026%0.262CS..G310 helixtrans-139.831.3-174.560.3-91000114.1A30 Y37 A139 A149 V150 S151 E155 L156 F157 L160 V163A30-F153 HydrophobicContact CB-CE2 3.92Å; A30-F153 HydrophobicContact CB-CZ 4.3Å; Y37-F153 AromaticContact CD1-CE1 3.64Å; Y37-F153 HydrophobicContact CD1-CE1 3.64Å; Y37-F153 AromaticContact CD1-CZ 3.58Å; Y37-F153 HydrophobicContact CD1-CZ 3.58Å; Y37-F153 HydrophobicContact CD2-CE1 4.24Å; Y37-F153 HydrophobicContact CE1-CE1 4.37Å; Y37-F153 HydrophobicContact CE1-CZ 4.2Å; Y37-F153 AromaticContact CG-CE1 3.56Å; Y37-F153 HydrophobicContact CG-CE1 3.56Å; Y37-F153 HydrophobicContact CG-CZ 4.01Å; A139-F153 HydrophobicContact CB-CD1 4.11Å; A139-F153 HydrophobicContact CB-CD2 4.27Å; A139-F153 HydrophobicContact CB-CE1 4.29Å; A139-F153 HydrophobicContact CB-CE2 4.5Å; A139-F153 HydrophobicContact CB-CG 4.07Å; A139-F153 HydrophobicContact CB-CZ 4.49Å; A139-F153 WeakPolarHBondContact O-CB 3.41Å; A139-F153 WeakPolarHBondContact O-CG 3.41Å; A149-F153 WeakPolarHBondContact O-CD1 3.3Å; A149-F153 VanDerWaalsContact O-CE1 3.29Å; A149-F153 WeakPolarHBondContact O-CE1 3.41Å; V150-F153 VanDerWaalsContact CA-CE1 3.45Å; V150-F153 HydrophobicContact CB-CZ 4.32Å; V150-F153 HydrophobicContact CG1-CZ 4.42Å; V150-F153 HydrophobicContact CG2-CZ 4.18Å; V150-F153 PolarHBondContact O-N 2.84Å; S151-F153 VanDerWaalsContact C-N 3.28Å; S151-F153 PolarHBondContact O-N 2.97Å; F153-E155 PolarHBondContact O-N 3.45Å; F153-E155 VanDerWaalsContact O-N 3.11Å; F153-L156 HydrophobicContact CB-CD1 4.14Å; F153-L156 HydrophobicContact CB-CG 4.32Å; F153-L156 WeakPolarHBondContact O-CB 3.34Å; F153-L156 PolarHBondContact O-N 2.91Å; F153-F157 HydrophobicContact CD2-CD2 4.47Å; F153-F157 HydrophobicContact CD2-CE2 4.12Å; F153-F157 HydrophobicContact CE2-CE2 4.06Å; F153-L160 HydrophobicContact CD2-CD1 4.2Å; F153-L160 HydrophobicContact CE2-CD1 4.09Å; F153-V163 HydrophobicContact CE2-CG1 4.28Å; F153-V163 HydrophobicContact CZ-CG1 4.29Å
154H89.5Confident92.4Very high109 Ų10940.2 Ų40.251%0.50522%0.224SC..G310 helixtrans-54.6-29.9176.6-81.9-154.2000112.7V150 S151 L156 F157V150-H154 PolarHBondContact O-CD2 3.39Å; S151-H154 WeakPolarHBondContact CA-NE2 3.43Å; H154-L156 PolarHBondContact O-N 3.37Å; H154-L156 VanDerWaalsContact O-N 3.16Å; H154-F157 AromaticContact CD2-CE2 3.81Å; H154-F157 AromaticContact CD2-CZ 3.93Å; H154-F157 WeakPolarHBondContact O-CB 3.46Å; H154-F157 PolarHBondContact O-N 3.1Å; H154-F157 VanDerWaalsContact O-N 3.16Å
155E89.4Confident93.6Very high92 Ų9240.6 Ų40.643%0.4322%0.223SC..G310 helixtrans-64.3-18.6177.473.3-87.7-164.900113.9V141 F153 P158V141-E155 HydrophobicContact CG2-CG 3.63Å; F153-E155 PolarHBondContact O-N 3.45Å; F153-E155 VanDerWaalsContact O-N 3.11Å; E155-P158 WeakPolarHBondContact O-CD 3.19Å
156L91.7Very high94.1Very high1 Ų138.1 Ų38.11%0.00522%0.216CC..G310 helixtrans-86.2-17.9178.4-58-173.4000112.9V52 V141 F153 H154 P158 Y159 L160V52-L156 HydrophobicContact CG1-CD2 3.86Å; V141-L156 HydrophobicContact CG2-CD2 3.72Å; F153-L156 HydrophobicContact CB-CD1 4.14Å; F153-L156 HydrophobicContact CB-CG 4.32Å; F153-L156 WeakPolarHBondContact O-CB 3.34Å; F153-L156 PolarHBondContact O-N 2.91Å; H154-L156 PolarHBondContact O-N 3.37Å; H154-L156 VanDerWaalsContact O-N 3.16Å; L156-P158 VanDerWaalsContact C-N 3.27Å; L156-P158 VanDerWaalsContact O-N 3.09Å; L156-Y159 WeakPolarHBondContact O-CD2 3.46Å; L156-Y159 PolarHBondContact O-N 2.61Å; L156-L160 HydrophobicContact CB-CD1 4.19Å; L156-L160 HydrophobicContact CB-CG 4.4Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.22Å
157F92.3Very high94.4Very high45 Ų4538.9 Ų38.920%0.19723%0.228CC..THydrogen-bonded Turntrans-52.3-32.6-177.1-84.1-134.7000115.1K4 V6 V150 F153 H154 Y159 L160 V163K4-F157 PolarHBondContact NZ-O 2.97Å; V6-F157 HydrophobicContact CG2-CE1 3.83Å; V6-F157 HydrophobicContact CG2-CZ 4.18Å; V150-F157 HydrophobicContact CG1-CE2 3.99Å; V150-F157 HydrophobicContact CG1-CZ 3.52Å; F153-F157 HydrophobicContact CD2-CD2 4.47Å; F153-F157 HydrophobicContact CD2-CE2 4.12Å; F153-F157 HydrophobicContact CE2-CE2 4.06Å; H154-F157 AromaticContact CD2-CE2 3.81Å; H154-F157 AromaticContact CD2-CZ 3.93Å; H154-F157 WeakPolarHBondContact O-CB 3.46Å; H154-F157 PolarHBondContact O-N 3.1Å; H154-F157 VanDerWaalsContact O-N 3.16Å; F157-Y159 PolarHBondContact O-N 2.83Å; F157-Y159 VanDerWaalsContact O-N 3.16Å; F157-L160 HydrophobicContact CD2-CD1 4.2Å; F157-L160 PolarHBondContact O-N 3.34Å; F157-V163 HydrophobicContact CE2-CG2 4.3Å; F157-V163 HydrophobicContact CZ-CG2 4.26Å
158P92.3Very high94.4Very high86 Ų8642 Ų4256%0.55825%0.253SS*.THydrogen-bonded Turntrans-49.8-34.2170.6-3340.5000114.4K4 E155 L156K4-P158 PolarHBondContact NZ-O 3.18Å; E155-P158 WeakPolarHBondContact O-CD 3.19Å; L156-P158 VanDerWaalsContact C-N 3.27Å; L156-P158 VanDerWaalsContact O-N 3.09Å
159Y93.3Very high94.5Very high112 Ų11242.3 Ų42.344%0.43926%0.255SS..THydrogen-bonded Turntrans-101.6-14.4-172.2-48.9-82.3000114.2V52 L156 F157V52-Y159 HydrophobicContact CB-CG 4.4Å; V52-Y159 HydrophobicContact CG1-CD2 4.05Å; V52-Y159 HydrophobicContact CG1-CG 4.18Å; V52-Y159 VanDerWaalsContact CG2-CB 3.41Å; V52-Y159 HydrophobicContact CG2-CD1 3.82Å; V52-Y159 HydrophobicContact CG2-CD2 4.24Å; V52-Y159 HydrophobicContact CG2-CG 3.57Å; L156-Y159 WeakPolarHBondContact O-CD2 3.46Å; L156-Y159 PolarHBondContact O-N 2.61Å; F157-Y159 PolarHBondContact O-N 2.83Å; F157-Y159 VanDerWaalsContact O-N 3.16Å
160L95Very high94.4Very high9 Ų948.7 Ų48.75%0.04728%0.281CS..  trans-84.1134.6-175.7-55.9177.2000111I28 A30 I39 F153 L156 F157 V163I28-L160 HydrophobicContact CB-CD2 4.21Å; I28-L160 HydrophobicContact CG2-CD2 3.69Å; A30-L160 HydrophobicContact CB-CD1 3.83Å; A30-L160 HydrophobicContact CB-CD2 4.35Å; I39-L160 HydrophobicContact CG2-CD2 3.68Å; F153-L160 HydrophobicContact CD2-CD1 4.2Å; F153-L160 HydrophobicContact CE2-CD1 4.09Å; L156-L160 HydrophobicContact CB-CD1 4.19Å; L156-L160 HydrophobicContact CB-CG 4.4Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.22Å; F157-L160 HydrophobicContact CD2-CD1 4.2Å; F157-L160 PolarHBondContact O-N 3.34Å; L160-V163 HydrophobicContact CB-CG2 4.28Å; L160-V163 HydrophobicContact CD1-CG2 3.75Å
161S96.7Very high94.1Very high56 Ų5649.7 Ų49.739%0.39229%0.289SS..SBendtrans-86.9-31174.2-530000111.8G27 I28G27-S161 WeakPolarHBondContact CA-OG 3.45Å; I28-S161 PolarHBondContact N-OG 3.2Å; I28-S161 PolarHBondContact O-N 2.86Å
162L97.3Very high93.9Very high4 Ų453 Ų532%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-149.6140.9179.5178.367.9000109.5V5 I7 Q18 A19 C22 I28 V29 A30 V164V5-L162 HydrophobicContact CB-CD1 4.22Å; V5-L162 HydrophobicContact CG1-CD1 4.41Å; V5-L162 WeakPolarHBondContact O-CD1 3.35Å; I7-L162 HydrophobicContact CD1-CD1 4.07Å; I7-L162 HydrophobicContact CG1-CD1 4.02Å; Q18-L162 HydrophobicContact CB-CD2 4.08Å; A19-L162 HydrophobicContact CB-CD2 4.03Å; C22-L162 HydrophobicContact CB-CB 4.42Å; I28-L162 PolarHBondContact O-N 2.98Å; V29-L162 WeakPolarHBondContact CA-O 3.45Å; V29-L162 HydrophobicContact CG1-CB 4.15Å; V29-L162 HydrophobicContact CG1-CD2 3.94Å; V29-L162 HydrophobicContact CG1-CG 4.19Å; V29-L162 HydrophobicContact CG2-CB 4.2Å; V29-L162 HydrophobicContact CG2-CD2 4.43Å; A30-L162 PolarHBondContact N-O 3.35Å; L162-V164 HydrophobicContact CD2-CG2 4.01Å; L162-V164 HydrophobicContact CG-CG2 4.15Å
163V97.1Very high93.7Very high6 Ų653.8 Ų53.84%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-120.7120.3167.2-1770000108V5 V6 I7 A30 V150 F153 F157 L160V5-V163 PolarHBondContact O-N 3.14Å; V6-V163 CarbonylContact C-O 3.55Å; V6-V163 VanDerWaalsContact CA-O 3.31Å; V6-V163 WeakPolarHBondContact CA-O 3.46Å; V6-V163 HydrophobicContact CB-CB 4.46Å; V6-V163 HydrophobicContact CG1-CB 4.36Å; V6-V163 HydrophobicContact CG1-CG1 4.3Å; V6-V163 HydrophobicContact CG2-CB 4.1Å; V6-V163 HydrophobicContact CG2-CG2 4.47Å; I7-V163 PolarHBondContact N-O 2.91Å; A30-V163 HydrophobicContact CB-CG1 4.33Å; A30-V163 HydrophobicContact CB-CG2 4.28Å; V150-V163 HydrophobicContact CG1-CG1 4.13Å; V150-V163 HydrophobicContact CG2-CG1 3.96Å; F153-V163 HydrophobicContact CE2-CG1 4.28Å; F153-V163 HydrophobicContact CZ-CG1 4.29Å; F157-V163 HydrophobicContact CE2-CG2 4.3Å; F157-V163 HydrophobicContact CZ-CG2 4.26Å; L160-V163 HydrophobicContact CB-CG2 4.28Å; L160-V163 HydrophobicContact CD1-CG2 3.75Å
164V97.7Very high93.6Very high0 Ų057 Ų570%033%0.325CS..EExtended strand (participates in β ladder)trans-95.9111.6171.4-175.70000107.5I7 L9 V29 A30 F31 P32 F122 L162I7-V164 HydrophobicContact CD1-CG2 4.14Å; I7-V164 HydrophobicContact CG1-CB 4.48Å; I7-V164 HydrophobicContact CG1-CG2 4.12Å; I7-V164 CarbonylContact O-C 3.31Å; L9-V164 HydrophobicContact CB-CG1 4.01Å; L9-V164 HydrophobicContact CD1-CG1 3.84Å; L9-V164 HydrophobicContact CG-CG1 4.36Å; V29-V164 HydrophobicContact CG1-CG2 4.36Å; A30-V164 PolarHBondContact O-N 2.78Å; F31-V164 HydrophobicContact CB-CB 4.08Å; P32-V164 WeakPolarHBondContact CD-O 3.39Å; F122-V164 HydrophobicContact CE1-CG1 4.43Å; F122-V164 HydrophobicContact CZ-CB 4.43Å; F122-V164 HydrophobicContact CZ-CG1 4.19Å; F122-V164 HydrophobicContact CZ-CG2 3.98Å; L162-V164 HydrophobicContact CD2-CG2 4.01Å; L162-V164 HydrophobicContact CG-CG2 4.15Å
165D96.7Very high93.7Very high53 Ų5356.4 Ų56.428%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-93106-177.9-171.5-3.7000110.5V6 I7 P8 L9 Y37 V150 G167V6-D165 HydrophobicContact CG1-CB 3.92Å; I7-D165 PolarHBondContact O-N 2.99Å; P8-D165 CarbonylContact C-O 3.57Å; P8-D165 WeakPolarHBondContact CA-O 3.47Å; L9-D165 PolarHBondContact N-O 3.16Å; Y37-D165 PolarHBondContact OH-OD1 3.45Å; V150-D165 HydrophobicContact CG2-CB 3.81Å; V150-D165 VanDerWaalsContact CG2-CG 3.46Å; D165-G167 VanDerWaalsContact C-N 3.35Å; D165-G167 WeakPolarHBondContact OD1-CA 3.21Å; D165-G167 PolarHBondContact OD1-N 3.09Å
166G96.5Very high93.6Very high42 Ų4258.4 Ų58.443%0.43333%0.327SS..  trans-94.814.7171.900000113.9Y37Y37-G166 PolarHBondContact OH-N 3.45Å
167G96.3Very high93.7Very high32 Ų3260.3 Ų60.333%0.3334%0.338SS..  trans78.1-167.4-173.100000113.1Y37 D165Y37-G167 WeakPolarHBondContact CE2-O 3.31Å; Y37-G167 PolarHBondContact OH-N 2.93Å; Y37-G167 PolarHBondContact OH-O 3.48Å; D165-G167 VanDerWaalsContact C-N 3.35Å; D165-G167 WeakPolarHBondContact OD1-CA 3.21Å; D165-G167 PolarHBondContact OD1-N 3.09Å
168A95.8Very high93.7Very high64 Ų6458.2 Ų58.253%0.52933%0.328SS..PPolyproline II helixtrans-76.3123.2179.400000111.4L148 A149 Q170L148-A168 CarbonylContact O-C 3.43Å; L148-A168 WeakPolarHBondContact O-CA 3.36Å; A149-A168 HydrophobicContact CB-CB 4.35Å; A168-Q170 PolarHBondContact O-N 3Å
169I96.4Very high93.8Very high26 Ų2654.1 Ų54.113%0.13330%0.302CS..PPolyproline II helixtrans-71.8117.3171.5-59.9170.3000108.4P32 T35 I36 Y37 L148P32-I169 HydrophobicContact CB-CD1 4.11Å; P32-I169 HydrophobicContact CB-CG1 4.38Å; T35-I169 WeakPolarHBondContact O-CG2 3.5Å; I36-I169 VanDerWaalsContact C-CD1 3.44Å; Y37-I169 HydrophobicContact CD2-CD1 3.62Å; Y37-I169 HydrophobicContact CD2-CG1 4.23Å; Y37-I169 HydrophobicContact CE2-CD1 3.86Å; Y37-I169 HydrophobicContact CE2-CG1 3.99Å; L148-I169 HydrophobicContact CD2-CB 4.11Å; L148-I169 HydrophobicContact CD2-CG2 4.22Å; L148-I169 PolarHBondContact O-N 3.34Å
170Q93.1Very high94Very high153 Ų15349 Ų4972%0.71528%0.282SS*.PPolyproline II helixtrans-72.5137.5176.8-60.3-60.2-44.800110.5A168 R198A168-Q170 PolarHBondContact O-N 3Å; Q170-R198 PolarHBondContact O-NH2 2.92Å
171S88.3Confident94.1Very high35 Ų3548.6 Ų48.625%0.24528%0.28CS..  trans-142.8126.5176.2-171.60000110.3L173 R198S171-L173 VanDerWaalsContact C-N 3.34Å; S171-L173 PolarHBondContact OG-N 2.78Å; S171-L173 PolarHBondContact OG-O 3.37Å; S171-R198 VanDerWaalsContact CA-NH2 3.26Å; S171-R198 PolarHBondContact OG-NH2 3.5Å
172D89.6Confident94.2Very high149 Ų14946.9 Ų46.980%0.79727%0.267SS*.SBendtrans-79.1-20169.360.3-29.4000112.3
173L90Very high94.2Very high55 Ų5546.7 Ų46.729%0.28827%0.266SS..SBendtrans-83.4152.1176-63173.6000112.7S171 R175 L177 R198S171-L173 VanDerWaalsContact C-N 3.34Å; S171-L173 PolarHBondContact OG-N 2.78Å; S171-L173 PolarHBondContact OG-O 3.37Å; L173-R175 PolarHBondContact O-N 2.69Å; L173-L177 HydrophobicContact CB-CB 4.24Å; L173-R198 HydrophobicContact CD1-CB 4.09Å; L173-R198 HydrophobicContact CD1-CG 4.45Å
174P91.4Very high94.2Very high69 Ų6947.9 Ų47.945%0.44827%0.272SS..  trans-48.1140.6166.1-26.934.3000111.6H176 L177 S178P174-H176 VanDerWaalsContact CB-CE1 3.5Å; P174-H176 WeakPolarHBondContact CB-CE1 3.26Å; P174-H176 PolarHBondContact O-N 2.92Å; P174-L177 HydrophobicContact CG-CD1 4.35Å; P174-L177 WeakPolarHBondContact O-CA 3.32Å; P174-L177 PolarHBondContact O-N 2.86Å; P174-S178 PolarHBondContact O-N 2.97Å
175R90.4Very high94.3Very high96 Ų9647.9 Ų47.936%0.36227%0.273SS..G310 helixtrans-52.1-37.4-172.5-177.3176.4-80.3-99.811.2113.3N146 L148 D152 L173 L177 S178N146-R175 HydrophobicContact CB-CG 4.32Å; N146-R175 WeakPolarHBondContact CB-O 3.35Å; N146-R175 PolarHBondContact ND2-O 3.36Å; N146-R175 PolarHBondContact O-NH1 3.32Å; L148-R175 HydrophobicContact CD1-CG 4.24Å; D152-R175 VanDerWaalsContact CG-NH1 3.3Å; D152-R175 IonicContact OD1-NH1 3.59Å; D152-R175 IonicContact OD1-NH2 2.92Å; D152-R175 IonicContact OD2-CZ 3.95Å; D152-R175 IonicContact OD2-NH1 3.71Å; D152-R175 PolarHBondContact OD2-NH1 2.92Å; D152-R175 IonicContact OD2-NH2 2.91Å; L173-R175 PolarHBondContact O-N 2.69Å; R175-L177 VanDerWaalsContact C-N 3.26Å; R175-L177 PolarHBondContact O-N 2.8Å; R175-S178 WeakPolarHBondContact O-CB 3.44Å; R175-S178 PolarHBondContact O-N 2.78Å; R175-S178 PolarHBondContact O-OG 3.3Å
176H88.3Confident94.3Very high133 Ų13346.1 Ų46.162%0.61627%0.265SS*.G310 helixtrans-66.8-22.7178.767-84.2000114.1N146 P174N146-H176 PolarHBondContact ND2-O 3.09Å; P174-H176 VanDerWaalsContact CB-CE1 3.5Å; P174-H176 WeakPolarHBondContact CB-CE1 3.26Å; P174-H176 PolarHBondContact O-N 2.92Å
177L92.2Very high94.3Very high42 Ų4246.9 Ų46.922%0.2226%0.258CS..G310 helixtrans-96.60.8176.4-59.3178.8000113.6L173 P174 R175 G179 E196 G197 R198L173-L177 HydrophobicContact CB-CB 4.24Å; P174-L177 HydrophobicContact CG-CD1 4.35Å; P174-L177 WeakPolarHBondContact O-CA 3.32Å; P174-L177 PolarHBondContact O-N 2.86Å; R175-L177 VanDerWaalsContact C-N 3.26Å; R175-L177 PolarHBondContact O-N 2.8Å; L177-G179 VanDerWaalsContact C-N 3.28Å; L177-G179 PolarHBondContact O-N 2.85Å; L177-E196 HydrophobicContact CD2-CB 4.15Å; L177-G197 CarbonylContact O-C 3.6Å; L177-G197 VanDerWaalsContact O-C 3.31Å; L177-G197 VanDerWaalsContact O-CA 3.25Å; L177-G197 WeakPolarHBondContact O-CA 3.34Å; L177-R198 PolarHBondContact O-N 2.8Å; L177-R198 VanDerWaalsContact O-N 3.09Å
178S93.6Very high94.2Very high0 Ų050 Ų500%027%0.272CS..  trans-70.4-18.8-17759.80000114.9T35 I36 N146 P174 R175T35-S178 WeakPolarHBondContact CB-O 3.2Å; I36-S178 WeakPolarHBondContact CG2-OG 3.4Å; N146-S178 VanDerWaalsContact CB-OG 3.31Å; N146-S178 WeakPolarHBondContact CB-OG 3.49Å; N146-S178 PolarHBondContact ND2-OG 2.82Å; P174-S178 PolarHBondContact O-N 2.97Å; R175-S178 WeakPolarHBondContact O-CB 3.44Å; R175-S178 PolarHBondContact O-N 2.78Å; R175-S178 PolarHBondContact O-OG 3.3Å
179G94.8Very high94.2Very high0 Ų048.4 Ų48.40%026%0.262CS..SBendtrans-71.7174.5175.600000113.1N146 L177 G197 R198N146-G179 PolarHBondContact ND2-N 3.36Å; L177-G179 VanDerWaalsContact C-N 3.28Å; L177-G179 PolarHBondContact O-N 2.85Å; G179-G197 CarbonylContact O-C 3.49Å; G179-G197 VanDerWaalsContact O-CA 3.27Å; G179-G197 WeakPolarHBondContact O-CA 3.45Å; G179-R198 PolarHBondContact O-N 2.9Å
180S96.7Very high94.3Very high5 Ų549.7 Ų49.74%0.03527%0.268CS..BIsolated β-bridgetrans-60.6146177.355.10000114.7P91 T93 V182 R195P91-S180 CarbonylContact O-C 3.51Å; P91-S180 WeakPolarHBondContact O-CA 3.39Å; P91-S180 WeakPolarHBondContact O-CB 3.45Å; T93-S180 PolarHBondContact OG1-OG 3.4Å; S180-V182 PolarHBondContact O-N 2.75Å; S180-R195 VanDerWaalsContact N-NH2 3.17Å; S180-R195 PolarHBondContact O-NE 3.22Å; S180-R195 PolarHBondContact O-NH2 3.28Å; S180-R195 PolarHBondContact OG-NH2 3.49Å; S180-R195 VanDerWaalsContact OG-NH2 3.1Å
181T97.3Very high94.5Very high1 Ų143.5 Ų43.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-68.9130.3163.5-59.80000109P91 Y92 T93 I183 I193 R195 G197 R198 L200P91-T181 PolarHBondContact O-N 3.36Å; Y92-T181 CarbonylContact C-O 3.59Å; Y92-T181 WeakPolarHBondContact CA-O 3.42Å; T93-T181 PolarHBondContact N-O 3.1Å; T181-I183 HydrophobicContact CG2-CD1 4.46Å; T181-I183 HydrophobicContact CG2-CG1 3.93Å; T181-I193 HydrophobicContact CG2-CD1 4.39Å; T181-I193 HydrophobicContact CG2-CG2 4.4Å; T181-R195 WeakPolarHBondContact CA-O 3.17Å; T181-G197 PolarHBondContact OG1-N 3.33Å; T181-G197 PolarHBondContact OG1-O 2.92Å; T181-G197 VanDerWaalsContact OG1-O 3.1Å; T181-R198 PolarHBondContact N-O 3.08Å; T181-R198 PolarHBondContact OG1-O 3.15Å; T181-L200 HydrophobicContact CG2-CD1 3.88Å; T181-L200 PolarHBondContact OG1-N 3.23Å
182V97.6Very high95Very high19 Ų1945.3 Ų45.312%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-101117.6176.6-174.30000108.3T93 L95 S180 V194 R195T93-V182 CarbonylContact O-C 3.51Å; T93-V182 VanDerWaalsContact O-CA 3.32Å; T93-V182 WeakPolarHBondContact O-CA 3.35Å; L95-V182 HydrophobicContact CD1-CG1 4.07Å; L95-V182 HydrophobicContact CD2-CG1 3.91Å; L95-V182 HydrophobicContact CG-CG1 3.92Å; S180-V182 PolarHBondContact O-N 2.75Å; V182-V194 HydrophobicContact CB-CB 4.15Å; V182-V194 HydrophobicContact CG1-CB 3.91Å; V182-V194 HydrophobicContact CG1-CG1 4.26Å; V182-V194 PolarHBondContact O-N 3.18Å; V182-R195 HydrophobicContact CB-CB 3.83Å; V182-R195 HydrophobicContact CG2-CB 3.78Å; V182-R195 PolarHBondContact N-O 2.98Å; V182-R195 PolarHBondContact O-N 3.26Å
183I98.2Very high95.3Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-116.5120.4-177.2-52.2164.1000107.2L87 Y92 T93 L94 L95 T181 L185 K192 I193 L207L87-I183 HydrophobicContact CD1-CD1 4.43Å; L87-I183 HydrophobicContact CD2-CD1 4.36Å; Y92-I183 HydrophobicContact CD1-CD1 3.58Å; Y92-I183 HydrophobicContact CE1-CD1 4.14Å; Y92-I183 HydrophobicContact CG-CD1 4.36Å; T93-I183 PolarHBondContact O-N 3.33Å; L94-I183 CarbonylContact C-O 3.58Å; L94-I183 WeakPolarHBondContact CA-O 3.14Å; L94-I183 HydrophobicContact CD2-CB 4.02Å; L94-I183 HydrophobicContact CD2-CD1 3.9Å; L94-I183 HydrophobicContact CD2-CG1 4.38Å; L95-I183 PolarHBondContact N-O 3.48Å; T181-I183 HydrophobicContact CG2-CD1 4.46Å; T181-I183 HydrophobicContact CG2-CG1 3.93Å; I183-L185 HydrophobicContact CG2-CD2 3.86Å; I183-L185 HydrophobicContact CG2-CG 3.92Å; I183-K192 CarbonylContact C-O 3.53Å; I183-K192 WeakPolarHBondContact CA-O 3.44Å; I183-I193 HydrophobicContact CG1-CD1 3.98Å; I183-I193 HydrophobicContact CG2-CD1 4.44Å; I183-L207 HydrophobicContact CD1-CD1 4.02Å; I183-L207 HydrophobicContact CG1-CD1 4.39Å; I183-L207 HydrophobicContact CG2-CD1 3.88Å; I183-L207 HydrophobicContact CG2-CD2 4.2Å
184D98.1Very high95.6Very high31 Ų3141.5 Ų41.517%0.16622%0.223CC..EExtended strand (participates in β ladder)trans-82.6120169.6-172.1-9.1000109.3L95 S186 Y191 K192 V194L95-D184 HydrophobicContact CB-CB 4.34Å; L95-D184 HydrophobicContact CD1-CB 4.17Å; D184-S186 WeakPolarHBondContact OD1-CB 3.18Å; D184-S186 PolarHBondContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.85Å; D184-Y191 CarbonylContact O-C 3.56Å; D184-Y191 VanDerWaalsContact O-CA 3.26Å; D184-Y191 WeakPolarHBondContact O-CA 3.49Å; D184-K192 HydrophobicContact CB-CB 4.16Å; D184-K192 PolarHBondContact N-O 2.92Å; D184-K192 PolarHBondContact O-N 2.81Å; D184-V194 HydrophobicContact CB-CG2 3.64Å
185L97.9Very high95.8Very high1 Ų142.3 Ų42.31%0.00522%0.217CC..  trans-120.817.1176.3-63.2174.1000109.9T78 V79 L94 L95 F96 I183 I187 L207 L214T78-L185 WeakPolarHBondContact CB-O 3.47Å; T78-L185 PolarHBondContact OG1-O 3.38Å; V79-L185 HydrophobicContact CG1-CB 4.25Å; V79-L185 HydrophobicContact CG1-CD1 4.13Å; V79-L185 HydrophobicContact CG1-CD2 4.09Å; V79-L185 HydrophobicContact CG1-CG 4.39Å; V79-L185 HydrophobicContact CG2-CD1 4.23Å; L94-L185 HydrophobicContact CB-CD1 4.32Å; L94-L185 HydrophobicContact CD1-CD1 4.18Å; L94-L185 HydrophobicContact CD2-CD1 4.12Å; L94-L185 HydrophobicContact CG-CD1 4.43Å; L95-L185 CarbonylContact O-C 3.53Å; L95-L185 WeakPolarHBondContact O-CA 3.19Å; L95-L185 PolarHBondContact O-N 2.79Å; F96-L185 HydrophobicContact CD1-CB 4.12Å; F96-L185 HydrophobicContact CE1-CB 3.48Å; F96-L185 VanDerWaalsContact CE1-CB 3.48Å; F96-L185 HydrophobicContact CE1-CD1 4.17Å; F96-L185 HydrophobicContact CE1-CG 4.47Å; F96-L185 HydrophobicContact CZ-CB 3.89Å; F96-L185 HydrophobicContact CZ-CD1 3.75Å; F96-L185 HydrophobicContact CZ-CG 4.45Å; I183-L185 HydrophobicContact CG2-CD2 3.86Å; I183-L185 HydrophobicContact CG2-CG 3.92Å; L185-I187 PolarHBondContact O-N 2.5Å; L185-L207 HydrophobicContact CD2-CD2 3.94Å; L185-L214 HydrophobicContact CD2-CD1 4.36Å
186S96.9Very high96Very high16 Ų1643.2 Ų43.211%0.11223%0.226CC..  trans-67.1-18.7-174.960.80000114.3L95 L112 D184L95-S186 PolarHBondContact O-N 3.4Å; L112-S186 VanDerWaalsContact CD2-CB 3.48Å; D184-S186 WeakPolarHBondContact OD1-CB 3.18Å; D184-S186 PolarHBondContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.85Å
187I96.3Very high96.4Very high57 Ų5737.1 Ų37.129%0.29220%0.199SC..SBendtrans-103.2122.2-179.3-56.8175.6000109.4L185 G189 Q190L185-I187 PolarHBondContact O-N 2.5Å; I187-G189 PolarHBondContact O-N 3.33Å; I187-Q190 HydrophobicContact CB-CB 4.1Å; I187-Q190 HydrophobicContact CG2-CB 4.11Å; I187-Q190 HydrophobicContact CG2-CG 4.02Å; I187-Q190 PolarHBondContact O-N 2.77Å
188P96Very high96.6Very high97 Ų9737.5 Ų37.563%0.6320%0.198SC*.THydrogen-bonded Turntrans-52132175.7-28.135.2000113.2T78 Q190T78-P188 HydrophobicContact CG2-CG 4.01Å; P188-Q190 PolarHBondContact O-N 3.38Å
189G95.9Very high96.7Very high31 Ų3138.6 Ų38.632%0.3221%0.208SC..THydrogen-bonded Turntrans72.39.3179.800000114.9I187 S215I187-G189 PolarHBondContact O-N 3.33Å; G189-S215 PolarHBondContact O-N 3.07Å; G189-S215 PolarHBondContact O-OG 3.37Å; G189-S215 VanDerWaalsContact O-OG 3.04Å
190Q97.2Very high96.8Very high54 Ų5440.3 Ų40.325%0.25222%0.217SC..EExtended strand (participates in β ladder)trans-131.4156.3-179.6-60.6-176.327.200113I187 P188 S215 S217I187-Q190 HydrophobicContact CB-CB 4.1Å; I187-Q190 HydrophobicContact CG2-CB 4.11Å; I187-Q190 HydrophobicContact CG2-CG 4.02Å; I187-Q190 PolarHBondContact O-N 2.77Å; P188-Q190 PolarHBondContact O-N 3.38Å; Q190-S215 CarbonylContact C-O 3.59Å; Q190-S215 WeakPolarHBondContact CA-O 3.2Å; Q190-S217 PolarHBondContact OE1-OG 3.32Å
191Y98.1Very high96.8Very high23 Ų2345 Ų459%0.0925%0.25CS..EExtended strand (participates in β ladder)trans-136155.9167.176.2-86.9000111.6D184 I193 L207 L214 S215 L216 S217D184-Y191 CarbonylContact O-C 3.56Å; D184-Y191 VanDerWaalsContact O-CA 3.26Å; D184-Y191 WeakPolarHBondContact O-CA 3.49Å; Y191-I193 HydrophobicContact CD2-CD1 4.44Å; Y191-L207 HydrophobicContact CD1-CB 4.04Å; Y191-L207 HydrophobicContact CD2-CB 4.18Å; Y191-L207 HydrophobicContact CD2-CD1 3.64Å; Y191-L207 HydrophobicContact CD2-CD2 4.5Å; Y191-L207 HydrophobicContact CD2-CG 4.33Å; Y191-L207 HydrophobicContact CE1-CB 4.04Å; Y191-L207 HydrophobicContact CE2-CB 4.18Å; Y191-L207 HydrophobicContact CE2-CD1 4Å; Y191-L207 HydrophobicContact CG-CB 4.1Å; Y191-L207 HydrophobicContact CG-CD1 4.1Å; Y191-L207 HydrophobicContact CG-CD2 4.11Å; Y191-L207 HydrophobicContact CG-CG 4.33Å; Y191-L214 HydrophobicContact CD1-CB 3.94Å; Y191-S215 WeakPolarHBondContact CD1-O 3.49Å; Y191-S215 PolarHBondContact N-O 3.14Å; Y191-L216 HydrophobicContact CD2-CD1 4.13Å; Y191-L216 HydrophobicContact CE1-CB 4.36Å; Y191-L216 HydrophobicContact CE2-CD1 3.61Å; Y191-S217 PolarHBondContact O-N 3.39Å
192K97.8Very high96.8Very high73 Ų7351.1 Ų51.132%0.31727%0.274SS..EExtended strand (participates in β ladder)trans-141.1134.5169172.5179.6-1751680110.8I183 D184 V194 K219I183-K192 CarbonylContact C-O 3.53Å; I183-K192 WeakPolarHBondContact CA-O 3.44Å; D184-K192 HydrophobicContact CB-CB 4.16Å; D184-K192 PolarHBondContact N-O 2.92Å; D184-K192 PolarHBondContact O-N 2.81Å; K192-V194 PolarHBondContact O-N 2.82Å; K192-K219 WeakPolarHBondContact CD-O 3.48Å; K192-K219 VanDerWaalsContact CE-O 3.31Å; K192-K219 WeakPolarHBondContact CE-O 3.44Å; K192-K219 PolarHBondContact NZ-O 3.14Å; K192-K219 PolarHBondContact NZ-OXT 3.48Å
193I97.5Very high96.8Very high45 Ų4550.3 Ų50.323%0.23127%0.269CS..EExtended strand (participates in β ladder)trans-79.6108.8169.8-54.2-56.3000108.1T181 I183 Y191 E196 L200 L207T181-I193 HydrophobicContact CG2-CD1 4.39Å; T181-I193 HydrophobicContact CG2-CG2 4.4Å; I183-I193 HydrophobicContact CG1-CD1 3.98Å; I183-I193 HydrophobicContact CG2-CD1 4.44Å; Y191-I193 HydrophobicContact CD2-CD1 4.44Å; I193-E196 HydrophobicContact CG2-CG 4.24Å; I193-L200 HydrophobicContact CD1-CD1 4.24Å; I193-L200 HydrophobicContact CG1-CD1 4.29Å; I193-L200 HydrophobicContact CG2-CD1 4Å; I193-L207 HydrophobicContact CD1-CD1 4.03Å
194V95.7Very high96.8Very high78 Ų7853.4 Ų53.447%0.47329%0.286SS..EExtended strand (participates in β ladder)trans-84.7-32178.1177.70000110.9L95 V182 D184 K192L95-V194 HydrophobicContact CD1-CG2 4.01Å; V182-V194 HydrophobicContact CB-CB 4.15Å; V182-V194 HydrophobicContact CG1-CB 3.91Å; V182-V194 HydrophobicContact CG1-CG1 4.26Å; V182-V194 PolarHBondContact O-N 3.18Å; D184-V194 HydrophobicContact CB-CG2 3.64Å; K192-V194 PolarHBondContact O-N 2.82Å
195R94.4Very high96.8Very high86 Ų8654.7 Ų54.733%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-150.3129.1176.8-174.2-178.971.6121-12.6110.5S180 T181 V182S180-R195 VanDerWaalsContact N-NH2 3.17Å; S180-R195 PolarHBondContact O-NE 3.22Å; S180-R195 PolarHBondContact O-NH2 3.28Å; S180-R195 PolarHBondContact OG-NH2 3.49Å; S180-R195 VanDerWaalsContact OG-NH2 3.1Å; T181-R195 WeakPolarHBondContact CA-O 3.17Å; V182-R195 HydrophobicContact CB-CB 3.83Å; V182-R195 HydrophobicContact CG2-CB 3.78Å; V182-R195 PolarHBondContact N-O 2.98Å; V182-R195 PolarHBondContact O-N 3.26Å
196E95.7Very high96.7Very high116 Ų11655.5 Ų55.554%0.54230%0.301SS..  trans-71.7137.8169.9-63.2-177.4-169.200111.2L177 I193 L200L177-E196 HydrophobicContact CD2-CB 4.15Å; I193-E196 HydrophobicContact CG2-CG 4.24Å; E196-L200 HydrophobicContact CB-CD2 3.93Å; E196-L200 HydrophobicContact CG-CD2 3.72Å
197G95.8Very high96.8Very high5 Ų554.7 Ų54.75%0.05230%0.296CS..  trans-164.4-160178.600000112.3L177 G179 T181 L200L177-G197 CarbonylContact O-C 3.6Å; L177-G197 VanDerWaalsContact O-C 3.31Å; L177-G197 VanDerWaalsContact O-CA 3.25Å; L177-G197 WeakPolarHBondContact O-CA 3.34Å; G179-G197 CarbonylContact O-C 3.49Å; G179-G197 VanDerWaalsContact O-CA 3.27Å; G179-G197 WeakPolarHBondContact O-CA 3.45Å; T181-G197 PolarHBondContact OG1-N 3.33Å; T181-G197 PolarHBondContact OG1-O 2.92Å; T181-G197 VanDerWaalsContact OG1-O 3.1Å; G197-L200 WeakPolarHBondContact O-CB 3.4Å; G197-L200 PolarHBondContact O-N 3.42Å
198R96.4Very high96.8Very high50 Ų5055.9 Ų55.919%0.18931%0.305CS..BIsolated β-bridgetrans-59.6140.4174.6-174.7176-69.5-154.4-8.6110.5D34 T35 P91 Q170 S171 L173 L177 G179 T181 L200D34-R198 PolarHBondContact O-NH1 3.07Å; T35-R198 HydrophobicContact CG2-CB 4.15Å; P91-R198 HydrophobicContact CB-CB 3.89Å; P91-R198 HydrophobicContact CB-CG 3.74Å; P91-R198 HydrophobicContact CG-CG 4.1Å; Q170-R198 PolarHBondContact O-NH2 2.92Å; S171-R198 VanDerWaalsContact CA-NH2 3.26Å; S171-R198 PolarHBondContact OG-NH2 3.5Å; L173-R198 HydrophobicContact CD1-CB 4.09Å; L173-R198 HydrophobicContact CD1-CG 4.45Å; L177-R198 PolarHBondContact O-N 2.8Å; L177-R198 VanDerWaalsContact O-N 3.09Å; G179-R198 PolarHBondContact O-N 2.9Å; T181-R198 PolarHBondContact N-O 3.08Å; T181-R198 PolarHBondContact OG1-O 3.15Å; R198-L200 VanDerWaalsContact C-N 3.32Å; R198-L200 PolarHBondContact O-N 3.34Å
199G96.4Very high96.8Very high22 Ų2255.1 Ų55.123%0.22729%0.293CS..THydrogen-bonded Turntrans81.4-0-179.400000115.1Y92 S201 Y202 G203Y92-G199 PolarHBondContact OH-O 2.91Å; G199-S201 PolarHBondContact O-N 3.31Å; G199-Y202 PolarHBondContact O-N 3.48Å; G199-G203 PolarHBondContact O-N 3.44Å
200L97.2Very high96.7Very high36 Ų3658.8 Ų58.819%0.18831%0.311CS..Hα-helixtrans-50.3-53.2-173.5178.463.4000113.8T181 I193 E196 G197 R198 Y202 G203 I204T181-L200 HydrophobicContact CG2-CD1 3.88Å; T181-L200 PolarHBondContact OG1-N 3.23Å; I193-L200 HydrophobicContact CD1-CD1 4.24Å; I193-L200 HydrophobicContact CG1-CD1 4.29Å; I193-L200 HydrophobicContact CG2-CD1 4Å; E196-L200 HydrophobicContact CB-CD2 3.93Å; E196-L200 HydrophobicContact CG-CD2 3.72Å; G197-L200 WeakPolarHBondContact O-CB 3.4Å; G197-L200 PolarHBondContact O-N 3.42Å; R198-L200 VanDerWaalsContact C-N 3.32Å; R198-L200 PolarHBondContact O-N 3.34Å; L200-Y202 PolarHBondContact O-N 2.91Å; L200-G203 PolarHBondContact O-N 3.21Å; L200-I204 HydrophobicContact CD1-CD1 3.77Å; L200-I204 HydrophobicContact CD1-CG1 4.15Å; L200-I204 HydrophobicContact CG-CD1 3.95Å; L200-I204 WeakPolarHBondContact O-CG1 3.03Å; L200-I204 PolarHBondContact O-N 3.01Å
201S96.8Very high96.5Very high104 Ų10462.4 Ų62.473%0.72733%0.332SS*.Hα-helixtrans-62-42.5-176.5-50.40000112.6G199 S205G199-S201 PolarHBondContact O-N 3.31Å; S201-S205 PolarHBondContact O-N 3.29Å; S201-S205 VanDerWaalsContact O-N 3.09Å
202Y97.4Very high96.3Very high130 Ų13063.5 Ų63.551%0.5134%0.337SS..Hα-helixtrans-68.5-43176.7-179.3-119.2000111.2Y92 G199 L200 I204 S205 L206Y92-Y202 WeakPolarHBondContact OH-CD1 3.48Å; G199-Y202 PolarHBondContact O-N 3.48Å; L200-Y202 PolarHBondContact O-N 2.91Å; Y202-I204 PolarHBondContact O-N 3.47Å; Y202-S205 WeakPolarHBondContact O-CB 3.46Å; Y202-S205 PolarHBondContact O-N 3Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.97Å; Y202-L206 HydrophobicContact CD1-CD1 4.11Å; Y202-L206 HydrophobicContact CE1-CD1 3.55Å; Y202-L206 HydrophobicContact CE1-CG 4.26Å; Y202-L206 HydrophobicContact CE2-CD1 4.41Å; Y202-L206 HydrophobicContact CE2-CD2 4.41Å; Y202-L206 HydrophobicContact CE2-CG 4.24Å; Y202-L206 PolarHBondContact O-N 3.22Å
203G97.8Very high96.1Very high1 Ų166.7 Ų66.71%0.0136%0.357CS..Hα-helixtrans-56.6-46.8174.800000112.1Y92 G199 L200 S205 L206 L207Y92-G203 PolarHBondContact OH-N 3.04Å; G199-G203 PolarHBondContact O-N 3.44Å; L200-G203 PolarHBondContact O-N 3.21Å; G203-S205 VanDerWaalsContact C-N 3.34Å; G203-S205 PolarHBondContact O-N 3.5Å; G203-L206 PolarHBondContact O-N 2.92Å; G203-L207 WeakPolarHBondContact O-CB 3.44Å; G203-L207 WeakPolarHBondContact O-CD1 3.41Å; G203-L207 WeakPolarHBondContact O-CG 3.45Å; G203-L207 PolarHBondContact O-N 3.27Å
204I97.5Very high96Very high66 Ų6665.8 Ų65.834%0.33835%0.353SS..Hα-helixtrans-59.1-46.2174.4-72.1167.3000110.6L200 Y202 L206 L207 T208L200-I204 HydrophobicContact CD1-CD1 3.77Å; L200-I204 HydrophobicContact CD1-CG1 4.15Å; L200-I204 HydrophobicContact CG-CD1 3.95Å; L200-I204 WeakPolarHBondContact O-CG1 3.03Å; L200-I204 PolarHBondContact O-N 3.01Å; Y202-I204 PolarHBondContact O-N 3.47Å; I204-L206 PolarHBondContact O-N 3.11Å; I204-L207 PolarHBondContact O-N 3.04Å; I204-L207 VanDerWaalsContact O-N 3.11Å; I204-T208 HydrophobicContact CG2-CG2 4.18Å; I204-T208 WeakPolarHBondContact O-CG2 3.47Å; I204-T208 PolarHBondContact O-N 2.65Å; I204-T208 PolarHBondContact O-OG1 3.46Å
205S97.7Very high96Very high57 Ų5765.1 Ų65.140%0.39935%0.352SS..Hα-helixtrans-58-37.8-179.877.80000112.9S201 Y202 G203 T208 H209S201-S205 PolarHBondContact O-N 3.29Å; S201-S205 VanDerWaalsContact O-N 3.09Å; Y202-S205 WeakPolarHBondContact O-CB 3.46Å; Y202-S205 PolarHBondContact O-N 3Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.97Å; G203-S205 VanDerWaalsContact C-N 3.34Å; G203-S205 PolarHBondContact O-N 3.5Å; S205-T208 PolarHBondContact O-OG1 3.45Å; S205-H209 PolarHBondContact O-N 3.1Å
206L97.5Very high96Very high18 Ų1866.5 Ų66.59%0.09437%0.365CS..Hα-helixtrans-70-48.8173.8-69.5174000111.2L83 A86 L87 Y202 G203 I204 T208 H209 Y212L83-L206 HydrophobicContact CD1-CB 3.95Å; A86-L206 HydrophobicContact CB-CD1 3.8Å; A86-L206 HydrophobicContact CB-CD2 3.99Å; L87-L206 HydrophobicContact CD2-CD1 3.69Å; L87-L206 HydrophobicContact CG-CD1 4.12Å; Y202-L206 HydrophobicContact CD1-CD1 4.11Å; Y202-L206 HydrophobicContact CE1-CD1 3.55Å; Y202-L206 HydrophobicContact CE1-CG 4.26Å; Y202-L206 HydrophobicContact CE2-CD1 4.41Å; Y202-L206 HydrophobicContact CE2-CD2 4.41Å; Y202-L206 HydrophobicContact CE2-CG 4.24Å; Y202-L206 PolarHBondContact O-N 3.22Å; G203-L206 PolarHBondContact O-N 2.92Å; I204-L206 PolarHBondContact O-N 3.11Å; L206-T208 PolarHBondContact O-N 2.91Å; L206-H209 WeakPolarHBondContact O-CB 3.41Å; L206-H209 PolarHBondContact O-N 3.25Å; L206-Y212 HydrophobicContact CD2-CE2 4.47Å; L206-Y212 VanDerWaalsContact O-CD2 3.25Å; L206-Y212 WeakPolarHBondContact O-CD2 3.46Å
207L97.1Very high95.8Very high0 Ų061.8 Ų61.80%034%0.344CS..Hα-helixtrans-62.7-27.4-177.6-67.2165000113L83 I183 L185 Y191 I193 G203 I204 L214L83-L207 HydrophobicContact CD2-CD2 4.21Å; I183-L207 HydrophobicContact CD1-CD1 4.02Å; I183-L207 HydrophobicContact CG1-CD1 4.39Å; I183-L207 HydrophobicContact CG2-CD1 3.88Å; I183-L207 HydrophobicContact CG2-CD2 4.2Å; L185-L207 HydrophobicContact CD2-CD2 3.94Å; Y191-L207 HydrophobicContact CD1-CB 4.04Å; Y191-L207 HydrophobicContact CD2-CB 4.18Å; Y191-L207 HydrophobicContact CD2-CD1 3.64Å; Y191-L207 HydrophobicContact CD2-CD2 4.5Å; Y191-L207 HydrophobicContact CD2-CG 4.33Å; Y191-L207 HydrophobicContact CE1-CB 4.04Å; Y191-L207 HydrophobicContact CE2-CB 4.18Å; Y191-L207 HydrophobicContact CE2-CD1 4Å; Y191-L207 HydrophobicContact CG-CB 4.1Å; Y191-L207 HydrophobicContact CG-CD1 4.1Å; Y191-L207 HydrophobicContact CG-CD2 4.11Å; Y191-L207 HydrophobicContact CG-CG 4.33Å; I193-L207 HydrophobicContact CD1-CD1 4.03Å; G203-L207 WeakPolarHBondContact O-CB 3.44Å; G203-L207 WeakPolarHBondContact O-CD1 3.41Å; G203-L207 WeakPolarHBondContact O-CG 3.45Å; G203-L207 PolarHBondContact O-N 3.27Å; I204-L207 PolarHBondContact O-N 3.04Å; I204-L207 VanDerWaalsContact O-N 3.11Å; L207-L214 HydrophobicContact CD2-CD1 3.82Å
208T96.5Very high95Very high81 Ų8167.4 Ų67.450%0.49738%0.383SS..THydrogen-bonded Turntrans-92.11.3175.5590000113.7I204 S205 L206I204-T208 HydrophobicContact CG2-CG2 4.18Å; I204-T208 WeakPolarHBondContact O-CG2 3.47Å; I204-T208 PolarHBondContact O-N 2.65Å; I204-T208 PolarHBondContact O-OG1 3.46Å; S205-T208 PolarHBondContact O-OG1 3.45Å; L206-T208 PolarHBondContact O-N 2.91Å
209H96.3Very high93.3Very high82 Ų8274.4 Ų74.438%0.3842%0.415SS..  trans-69.4131.5-179.1-163.5-83.7000110.5S205 L206 D211 Y212S205-H209 PolarHBondContact O-N 3.1Å; L206-H209 WeakPolarHBondContact O-CB 3.41Å; L206-H209 PolarHBondContact O-N 3.25Å; H209-D211 IonicContact CE1-OD1 3.63Å; H209-D211 IonicContact CE1-OD2 3.14Å; H209-D211 PolarHBondContact CE1-OD2 2.86Å; H209-D211 WeakPolarHBondContact ND1-CB 3.25Å; H209-D211 PolarHBondContact ND1-N 2.98Å; H209-D211 IonicContact ND1-OD1 3.8Å; H209-D211 IonicContact ND1-OD2 3.48Å; H209-D211 PolarHBondContact ND1-OD2 3.43Å; H209-D211 PolarHBondContact O-N 3.09Å; H209-D211 VanDerWaalsContact O-N 3.14Å; H209-Y212 HydrophobicContact CB-CD2 3.94Å; H209-Y212 HydrophobicContact CB-CE2 4.22Å; H209-Y212 PolarHBondContact O-N 3.23Å; H209-Y212 VanDerWaalsContact O-N 3.12Å
210P93.2Very high93.1Very high107 Ų10777.1 Ų77.170%0.69542%0.424SS*.G310 helixtrans-54.4-36.1-176.4-28.535.2000114.4Y212 N213P210-Y212 PolarHBondContact O-N 3.13Å; P210-Y212 VanDerWaalsContact O-N 3.1Å; P210-N213 PolarHBondContact O-N 3.1Å; P210-N213 VanDerWaalsContact O-N 3.13Å
211D92.9Very high92.9Very high130 Ų13079.2 Ų79.270%0.69544%0.437SS*.G310 helixtrans-58.9-23.2-179-63.8-3.1000114.4H209H209-D211 IonicContact CE1-OD1 3.63Å; H209-D211 IonicContact CE1-OD2 3.14Å; H209-D211 PolarHBondContact CE1-OD2 2.86Å; H209-D211 WeakPolarHBondContact ND1-CB 3.25Å; H209-D211 PolarHBondContact ND1-N 2.98Å; H209-D211 IonicContact ND1-OD1 3.8Å; H209-D211 IonicContact ND1-OD2 3.48Å; H209-D211 PolarHBondContact ND1-OD2 3.43Å; H209-D211 PolarHBondContact O-N 3.09Å; H209-D211 VanDerWaalsContact O-N 3.14Å
212Y94.3Very high92.7Very high47 Ų4777.8 Ų77.818%0.18442%0.421CS..G310 helixtrans-98.9-10.8-178.9-56.3-50.4000113.8P80 G82 L83 L206 H209 P210 L214P80-Y212 HydrophobicContact CG-CD1 3.66Å; P80-Y212 HydrophobicContact CG-CE1 4.28Å; G82-Y212 PolarHBondContact O-OH 3.19Å; L83-Y212 HydrophobicContact CB-CD1 3.74Å; L83-Y212 HydrophobicContact CB-CD2 4.2Å; L83-Y212 HydrophobicContact CB-CE1 3.66Å; L83-Y212 HydrophobicContact CB-CE2 4.14Å; L83-Y212 HydrophobicContact CB-CG 4Å; L83-Y212 HydrophobicContact CD1-CD2 3.79Å; L83-Y212 HydrophobicContact CD1-CE2 3.7Å; L83-Y212 HydrophobicContact CD1-CG 4.35Å; L83-Y212 HydrophobicContact CD2-CD2 4.46Å; L83-Y212 HydrophobicContact CD2-CG 4.31Å; L83-Y212 HydrophobicContact CG-CD2 4.36Å; L83-Y212 HydrophobicContact CG-CE2 4.46Å; L83-Y212 HydrophobicContact CG-CG 4.45Å; L83-Y212 VanDerWaalsContact N-CE1 3.35Å; L206-Y212 HydrophobicContact CD2-CE2 4.47Å; L206-Y212 VanDerWaalsContact O-CD2 3.25Å; L206-Y212 WeakPolarHBondContact O-CD2 3.46Å; H209-Y212 HydrophobicContact CB-CD2 3.94Å; H209-Y212 HydrophobicContact CB-CE2 4.22Å; H209-Y212 PolarHBondContact O-N 3.23Å; H209-Y212 VanDerWaalsContact O-N 3.12Å; P210-Y212 PolarHBondContact O-N 3.13Å; P210-Y212 VanDerWaalsContact O-N 3.1Å; Y212-L214 VanDerWaalsContact C-N 3.31Å; Y212-L214 PolarHBondContact O-N 3.12Å
213N93.2Very high92.4Very high140 Ų14074.8 Ų74.875%0.74942%0.416SS*.  trans47.947174.9-168.639.2000114.1P210P210-N213 PolarHBondContact O-N 3.1Å; P210-N213 VanDerWaalsContact O-N 3.13Å
214L96.2Very high92.1Very high26 Ų2679.4 Ų79.414%0.13644%0.441CS..  trans-101147.2177.3-58.8178.2000111.6V79 L83 L185 Y191 L207 Y212V79-L214 HydrophobicContact CG1-CD1 4.43Å; V79-L214 HydrophobicContact CG1-CD2 4.3Å; L83-L214 HydrophobicContact CD2-CD1 3.53Å; L185-L214 HydrophobicContact CD2-CD1 4.36Å; Y191-L214 HydrophobicContact CD1-CB 3.94Å; L207-L214 HydrophobicContact CD2-CD1 3.82Å; Y212-L214 VanDerWaalsContact C-N 3.31Å; Y212-L214 PolarHBondContact O-N 3.12Å
215S95.9Very high91.7Very high64 Ų6480.3 Ų80.345%0.44845%0.448SS..EExtended strand (participates in β ladder)trans-116.7150.117357.40000111.2G189 Q190 Y191 S217G189-S215 PolarHBondContact O-N 3.07Å; G189-S215 PolarHBondContact O-OG 3.37Å; G189-S215 VanDerWaalsContact O-OG 3.04Å; Q190-S215 CarbonylContact C-O 3.59Å; Q190-S215 WeakPolarHBondContact CA-O 3.2Å; Y191-S215 WeakPolarHBondContact CD1-O 3.49Å; Y191-S215 PolarHBondContact N-O 3.14Å; S215-S217 PolarHBondContact O-N 3.35Å
216L95Very high91.3Very high114 Ų11481.9 Ų81.960%0.59745%0.451SS*.EExtended strand (participates in β ladder)trans-67.9128174.2-177.167.6000109.2Y191Y191-L216 HydrophobicContact CD2-CD1 4.13Å; Y191-L216 HydrophobicContact CE1-CB 4.36Å; Y191-L216 HydrophobicContact CE2-CD1 3.61Å
217S91.8Very high90.8Very high17 Ų1786.8 Ų86.812%0.11948%0.479CS..  trans-67.1136.7178.2-161.60000111Q190 Y191 S215 K219Q190-S217 PolarHBondContact OE1-OG 3.32Å; Y191-S217 PolarHBondContact O-N 3.39Å; S215-S217 PolarHBondContact O-N 3.35Å; S217-K219 VanDerWaalsContact C-N 3.35Å
218S78.5Confident90.3Very high124 Ų12494.1 Ų94.187%0.86752%0.519SS*.  trans-87.2-4.2177550000113.9
219K59.9Low89.8Confident197 Ų19795.3 Ų95.386%0.85752%0.521SS*.  trans-93.20177.7-67.2-175.5-180178.90111.8K192 S217K192-K219 WeakPolarHBondContact CD-O 3.48Å; K192-K219 VanDerWaalsContact CE-O 3.31Å; K192-K219 WeakPolarHBondContact CE-O 3.44Å; K192-K219 PolarHBondContact NZ-O 3.14Å; K192-K219 PolarHBondContact NZ-OXT 3.48Å; S217-K219 VanDerWaalsContact C-N 3.35Å

Retrieved 219 of 219 residues in 1555.7 ms (Link to these results)

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