A0A060XM08_ONCMY Loading...

TRAF-interacting protein with FHA domain-containing protein A

AlphaFold DB , UniProt , Accession A0A060XM08, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tifa, Length 200 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
1M42.1Very low55.7Low241 Ų241154.1 Ų154.1100%1.18781%0.813SS**  0106.20-76.8177.618000106.1
2E45.8Very low58.7Low188 Ų188151.3 Ų151.388%0.87980%0.798SS**  trans-87.2111.8178.7-159.8172.8161.100106.8S4E2-S4 PolarHBondContact O-N 2.94Å
3V49.3Very low61.5Low122 Ų122143.7 Ų143.774%0.73976%0.756SS**  trans-82.397.1176.6179.60000105.9Q5V3-Q5 PolarHBondContact O-N 3.24Å
4S51.5Low64.1Low102 Ų102133.4 Ų133.471%0.71370%0.702SS**  trans-62.4101.2169.6-59.10000108.2E2 T6E2-S4 PolarHBondContact O-N 2.94Å; S4-T6 PolarHBondContact O-N 3.06Å
5Q51.4Low66.4Low173 Ų173124.6 Ų124.681%0.80866%0.656SS**  trans-68.798.6168.6-66.6178.5-15.200106.9V3 V7V3-Q5 PolarHBondContact O-N 3.24Å; Q5-V7 VanDerWaalsContact C-N 3.32Å; Q5-V7 PolarHBondContact O-N 2.98Å
6T52.3Low68.4Low124 Ų124116.8 Ų116.876%0.76162%0.615SS**  trans-6699.116541.80000106.9S4 E8S4-T6 PolarHBondContact O-N 3.06Å; T6-E8 PolarHBondContact O-N 3.04Å
7V53.3Low70.1Confident131 Ų131112.2 Ų112.279%0.79459%0.589SS**  trans-56.4108.5161.4-87.10000107Q5 T9Q5-V7 VanDerWaalsContact C-N 3.32Å; Q5-V7 PolarHBondContact O-N 2.98Å; V7-T9 PolarHBondContact O-N 3.28Å
8E52.2Low71.7Confident185 Ų185106.2 Ų106.286%0.86456%0.558SS**  trans-64.9102.5170.6-69.4-177142.900107.1T6 E10T6-E8 PolarHBondContact O-N 3.04Å; E8-E10 PolarHBondContact O-N 3.02Å
9T59.2Low73.1Confident128 Ų128102.7 Ų102.779%0.78554%0.538SS*.  trans-65.9119.4170.1-21.60000107.1V7 E11V7-T9 PolarHBondContact O-N 3.28Å; T9-E11 PolarHBondContact O-N 3.32Å
10E74.2Confident74.3Confident187 Ų18797.6 Ų97.687%0.87451%0.511SS*.  trans-62.4107.7173.5-67.1-174.915400108.7E8 L12E8-E10 PolarHBondContact O-N 3.02Å; E10-L12 PolarHBondContact O-N 3Å
11E81Confident75.4Confident114 Ų11494.7 Ų94.753%0.53349%0.494SS..PPolyproline II helixtrans-61.8126.6176.1-66.5-175.6158.200109.5T9 M13 A134T9-E11 PolarHBondContact O-N 3.32Å; E11-M13 PolarHBondContact O-N 3.39Å; E11-A134 HydrophobicContact CB-CB 4.22Å; E11-A134 WeakPolarHBondContact OE2-CA 3.2Å
12L92.3Very high78.1Confident121 Ų12183.2 Ų83.263%0.63444%0.437SS*.PPolyproline II helixtrans-64.2130.9174.5-66.4175.5000109.8E10 G132 E133 A134E10-L12 PolarHBondContact O-N 3Å; L12-G132 CarbonylContact O-C 3.59Å; L12-G132 WeakPolarHBondContact O-CA 3.48Å; L12-E133 PolarHBondContact O-N 3.29Å; L12-A134 PolarHBondContact O-N 2.9Å
13M95.5Very high80.5Confident52 Ų5277.7 Ų77.726%0.25642%0.417SS..PPolyproline II helixtrans-82.6143.3176.8-63.9-174-160.300111E11 C15 K41 A134 E139E11-M13 PolarHBondContact O-N 3.39Å; M13-C15 PolarHBondContact O-N 2.82Å; M13-K41 HydrophobicContact CE-CD 3.74Å; M13-K41 HydrophobicContact CE-CG 4.47Å; M13-K41 VanDerWaalsContact CE-NZ 3.32Å; M13-K41 HydrophobicContact SD-CD 3.82Å; M13-K41 HydrophobicContact SD-CG 3.88Å; M13-A134 HydrophobicContact CB-CB 4.42Å; M13-A134 HydrophobicContact CG-CB 3.89Å; M13-E139 HydrophobicContact CB-CG 3.92Å; M13-E139 HydrophobicContact SD-CG 3.95Å
14T97.7Very high82.7Confident0 Ų074.5 Ų74.50%039%0.394CS..EExtended strand (participates in β ladder)trans-63135.3165.6-65.40000108.1M84 F86 R129 E130 G132 F138 E139T14-M84 HydrophobicContact CG2-CB 4.25Å; T14-F86 HydrophobicContact CG2-CE2 3.8Å; T14-F86 HydrophobicContact CG2-CZ 4.31Å; T14-R129 HydrophobicContact CG2-CG 3.97Å; T14-E130 CarbonylContact C-O 3.55Å; T14-E130 WeakPolarHBondContact CA-O 3.47Å; T14-E130 WeakPolarHBondContact CG2-O 3.22Å; T14-G132 PolarHBondContact OG1-N 3.27Å; T14-G132 VanDerWaalsContact OG1-N 3.09Å; T14-G132 PolarHBondContact OG1-O 3.17Å; T14-F138 CarbonylContact O-C 3.44Å; T14-F138 VanDerWaalsContact O-CA 3.28Å; T14-F138 WeakPolarHBondContact O-CA 3.47Å; T14-F138 VanDerWaalsContact O-CB 3.24Å; T14-F138 WeakPolarHBondContact O-CB 3.31Å; T14-E139 PolarHBondContact O-N 2.69Å
15C98Very high84.7Confident1 Ų171.6 Ų71.61%0.00737%0.37CS..EExtended strand (participates in β ladder)trans-120.5132.2179.8-175.70000111.4M13 R129 E130 E139M13-C15 PolarHBondContact O-N 2.82Å; C15-R129 WeakPolarHBondContact O-CA 3.16Å; C15-E130 HydrophobicContact CB-CB 4.24Å; C15-E130 PolarHBondContact N-O 2.99Å; C15-E130 PolarHBondContact O-N 2.87Å; C15-E139 CarbonylContact C-O 3.58Å; C15-E139 WeakPolarHBondContact CA-O 3.5Å; C15-E139 HydrophobicContact CB-CB 4.23Å
16L98.4Very high86.5Confident0 Ų068.3 Ų68.30%037%0.372CS..EExtended strand (participates in β ladder)trans-97.3104.7166.5-65.7-176.9000109.5I18 L73 F86 I127 R129 F138 E139 V140 E141L16-I18 HydrophobicContact CB-CG1 4.4Å; L16-I18 PolarHBondContact O-N 3.08Å; L16-L73 HydrophobicContact CD1-CD1 3.96Å; L16-F86 HydrophobicContact CD1-CD1 3.76Å; L16-F86 HydrophobicContact CD1-CD2 4.36Å; L16-F86 HydrophobicContact CD1-CE1 3.67Å; L16-F86 HydrophobicContact CD1-CE2 4.29Å; L16-F86 HydrophobicContact CD1-CG 4.1Å; L16-F86 HydrophobicContact CD1-CZ 3.95Å; L16-F86 HydrophobicContact CD2-CD2 3.77Å; L16-F86 HydrophobicContact CD2-CE2 3.79Å; L16-F86 HydrophobicContact CD2-CG 4.2Å; L16-F86 HydrophobicContact CD2-CZ 4.23Å; L16-F86 HydrophobicContact CG-CD2 4.36Å; L16-F86 HydrophobicContact CG-CE1 4.23Å; L16-F86 HydrophobicContact CG-CE2 4.05Å; L16-F86 HydrophobicContact CG-CZ 3.98Å; L16-I127 HydrophobicContact CD2-CG2 4.05Å; L16-R129 HydrophobicContact CD2-CB 4.14Å; L16-R129 HydrophobicContact CD2-CG 4.12Å; L16-F138 HydrophobicContact CD1-CE2 4.24Å; L16-E139 PolarHBondContact N-O 2.98Å; L16-V140 HydrophobicContact CB-CG2 4.37Å; L16-V140 WeakPolarHBondContact O-CA 3.39Å; L16-E141 PolarHBondContact O-N 3.41Å
17Q98.3Very high88.1Confident39 Ų3967.1 Ų67.118%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-80.9114.7168.7-71.6175.5-12.300109.4I127 R128 E130Q17-I127 WeakPolarHBondContact O-CA 3.46Å; Q17-R128 HydrophobicContact CB-CB 4.3Å; Q17-R128 PolarHBondContact N-O 2.82Å; Q17-R128 PolarHBondContact O-N 3.46Å; Q17-E130 VanDerWaalsContact NE2-CD 3.25Å; Q17-E130 PolarHBondContact NE2-OE1 2.83Å
18I98.3Very high89.8Confident4 Ų466.2 Ų66.22%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-112.1107-177.6-55.1-175.7000109.1L16 L20 L73 M125 I127 V140 E141 F142 G143L16-I18 HydrophobicContact CB-CG1 4.4Å; L16-I18 PolarHBondContact O-N 3.08Å; I18-L20 HydrophobicContact CG2-CG 4.33Å; I18-L73 HydrophobicContact CD1-CD1 4.17Å; I18-M125 HydrophobicContact CG2-CG 3.48Å; I18-M125 VanDerWaalsContact CG2-CG 3.48Å; I18-M125 HydrophobicContact CG2-SD 3.58Å; I18-M125 VanDerWaalsContact CG2-SD 3.58Å; I18-I127 HydrophobicContact CG1-CD1 4.47Å; I18-I127 HydrophobicContact CG1-CG1 4.26Å; I18-V140 HydrophobicContact CD1-CG1 3.64Å; I18-V140 HydrophobicContact CG1-CG1 4.16Å; I18-E141 PolarHBondContact N-O 3.27Å; I18-F142 HydrophobicContact CB-CD1 3.84Å; I18-F142 HydrophobicContact CB-CE1 3.89Å; I18-F142 HydrophobicContact CD1-CE1 3.91Å; I18-F142 HydrophobicContact CD1-CZ 4.07Å; I18-F142 HydrophobicContact CG1-CE1 4.46Å; I18-F142 HydrophobicContact CG2-CD1 3.89Å; I18-F142 HydrophobicContact CG2-CE1 3.74Å; I18-F142 WeakPolarHBondContact O-CA 3.38Å; I18-G143 PolarHBondContact O-N 2.94Å
19Q97.8Very high91.8Very high39 Ų3960.6 Ų60.618%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-102.7116.5179.7-67-64.3-34.700109.7M125 L126 G143 L145Q19-M125 WeakPolarHBondContact O-CA 3.19Å; Q19-L126 HydrophobicContact CB-CB 4.33Å; Q19-L126 PolarHBondContact N-O 3.22Å; Q19-L126 PolarHBondContact O-N 3.46Å; Q19-G143 VanDerWaalsContact OE1-C 3.28Å; Q19-L145 HydrophobicContact CB-CD1 3.89Å; Q19-L145 HydrophobicContact CB-CD2 4.27Å; Q19-L145 HydrophobicContact CB-CG 3.9Å
20L97.7Very high93.5Very high0 Ų054.7 Ų54.70%030%0.3CS..EExtended strand (participates in β ladder)trans-102.2143.2-174.2-70.7160.9000111.5I18 Y31 L34 M125 F142 G143 M144 L145I18-L20 HydrophobicContact CG2-CG 4.33Å; L20-Y31 HydrophobicContact CB-CE1 3.91Å; L20-Y31 HydrophobicContact CD1-CD1 4.06Å; L20-Y31 HydrophobicContact CD1-CE1 3.94Å; L20-Y31 HydrophobicContact CG-CE1 4.38Å; L20-L34 HydrophobicContact CD1-CD1 3.3Å; L20-M125 HydrophobicContact CD2-CB 3.9Å; L20-M125 HydrophobicContact CD2-CG 3.74Å; L20-M125 HydrophobicContact CD2-SD 4.12Å; L20-F142 HydrophobicContact CD1-CD1 3.85Å; L20-F142 HydrophobicContact CD1-CE1 4.28Å; L20-G143 PolarHBondContact N-O 2.8Å; L20-M144 CarbonylContact O-C 3.59Å; L20-M144 WeakPolarHBondContact O-CA 3.45Å; L20-L145 PolarHBondContact O-N 2.89Å
21Y98.1Very high94.6Very high37 Ų3746.3 Ų46.315%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-134.3138.8168.5171.6-95000110P23 E124 L145 V147 P148Y21-P23 HydrophobicContact CE1-CG 4Å; Y21-E124 HydrophobicContact CD1-CB 4.35Å; Y21-E124 HydrophobicContact CD1-CG 4.45Å; Y21-E124 PolarHBondContact N-O 2.86Å; Y21-E124 PolarHBondContact O-N 2.83Å; Y21-L145 WeakPolarHBondContact CD2-O 3.13Å; Y21-V147 VanDerWaalsContact CD2-C 3.44Å; Y21-P148 HydrophobicContact CD1-CB 3.84Å; Y21-P148 HydrophobicContact CD1-CG 4.14Å; Y21-P148 HydrophobicContact CE1-CB 3.71Å; Y21-P148 HydrophobicContact CE1-CG 3.52Å; Y21-P148 HydrophobicContact CE2-CG 4.21Å; Y21-P148 HydrophobicContact CG-CB 4.41Å
22H97.7Very high95.2Very high0 Ų049.8 Ų49.80%027%0.269CS..  trans-144.1135.6166.5-175.1-75000109.7Q24 Q25 L30 Y31 R65 E122 Y123H22-Q24 PolarHBondContact ND1-N 2.99Å; H22-Q24 PolarHBondContact O-N 3.38Å; H22-Q25 HydrophobicContact CB-CB 4.32Å; H22-Q25 VanDerWaalsContact O-CB 3.3Å; H22-Q25 WeakPolarHBondContact O-CB 3.29Å; H22-Q25 WeakPolarHBondContact O-CG 3.44Å; H22-Q25 PolarHBondContact O-N 3.01Å; H22-L30 HydrophobicContact CB-CD1 3.83Å; H22-L30 WeakPolarHBondContact ND1-CD1 3.35Å; H22-Y31 WeakPolarHBondContact CB-OH 3.11Å; H22-Y31 PolarHBondContact N-OH 3.5Å; H22-Y31 VanDerWaalsContact N-OH 3.1Å; H22-R65 PolarHBondContact CE1-NH2 2.87Å; H22-R65 PolarHBondContact NE2-NH2 2.93Å; H22-E122 IonicContact CE1-OE2 3.67Å; H22-E122 IonicContact NE2-OE2 2.72Å; H22-Y123 HydrophobicContact CB-CD1 4.19Å; H22-Y123 HydrophobicContact CB-CE1 4.12Å; H22-Y123 AromaticContact CD2-CD1 3.98Å; H22-Y123 AromaticContact CD2-CD2 3.71Å; H22-Y123 AromaticContact CD2-CE1 3.79Å; H22-Y123 AromaticContact CD2-CE2 3.49Å; H22-Y123 VanDerWaalsContact CD2-CE2 3.49Å; H22-Y123 WeakPolarHBondContact CD2-CE2 3.46Å; H22-Y123 AromaticContact CD2-CG 3.93Å; H22-Y123 AromaticContact CD2-CZ 3.53Å; H22-Y123 AromaticContact NE2-CE2 3.99Å
23P96.3Very high95.4Very high72 Ų7249 Ų4947%0.46826%0.263SS..THydrogen-bonded Turntrans-54.6-32.9-176.7-27.333.8000114.5Y21 E122Y21-P23 HydrophobicContact CE1-CG 4Å; P23-E122 WeakPolarHBondContact CD-O 3.41Å
24Q94.9Very high95.4Very high55 Ų5547.1 Ų47.126%0.25725%0.254SS..THydrogen-bonded Turntrans-9610.1-179.2-55.3173.5-14.300114.5H22 A26 S27 R28H22-Q24 PolarHBondContact ND1-N 2.99Å; H22-Q24 PolarHBondContact O-N 3.38Å; Q24-A26 PolarHBondContact O-N 3.49Å; Q24-S27 PolarHBondContact O-N 3.01Å; Q24-S27 VanDerWaalsContact O-N 3.14Å; Q24-S27 PolarHBondContact O-OG 2.76Å; Q24-R28 HydrophobicContact CB-CG 4.36Å; Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.42Å
25Q93.3Very high95.3Very high41 Ų4149.1 Ų49.119%0.19227%0.267CS..THydrogen-bonded Turntrans-62.6-23.4-176.770-165.4100114.1H22 R28 Y31 L145H22-Q25 HydrophobicContact CB-CB 4.32Å; H22-Q25 VanDerWaalsContact O-CB 3.3Å; H22-Q25 WeakPolarHBondContact O-CB 3.29Å; H22-Q25 WeakPolarHBondContact O-CG 3.44Å; H22-Q25 PolarHBondContact O-N 3.01Å; Q25-R28 VanDerWaalsContact O-O 3.06Å; Q25-Y31 HydrophobicContact CB-CD2 4.29Å; Q25-Y31 HydrophobicContact CB-CE2 3.6Å; Q25-Y31 HydrophobicContact CG-CE2 4.46Å; Q25-Y31 PolarHBondContact OE1-OH 3.03Å; Q25-L145 PolarHBondContact NE2-O 2.72Å
26A89.5Confident95.1Very high105 Ų10551.4 Ų51.487%0.86828%0.279SS*.THydrogen-bonded Turntrans-77.9-30.1176.500000113.1Q24Q24-A26 PolarHBondContact O-N 3.49Å
27S87.4Confident94.5Very high99 Ų9959.2 Ų59.269%0.69232%0.315SS*.THydrogen-bonded Turntrans-100.9-14.2-177.659.10000113.4Q24Q24-S27 PolarHBondContact O-N 3.01Å; Q24-S27 VanDerWaalsContact O-N 3.14Å; Q24-S27 PolarHBondContact O-OG 2.76Å
28R88.3Confident94.2Very high112 Ų11260.5 Ų60.542%0.42333%0.326SS..SBendtrans-128.1135.2-179.5-65-177.1175.2-173.4-1.8110.3Q24 Q25 L30Q24-R28 HydrophobicContact CB-CG 4.36Å; Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.42Å; Q25-R28 VanDerWaalsContact O-O 3.06Å; R28-L30 HydrophobicContact CB-CD1 4.34Å; R28-L30 HydrophobicContact CB-CD2 3.74Å; R28-L30 HydrophobicContact CB-CG 3.71Å; R28-L30 PolarHBondContact O-N 3.33Å
29A93.1Very high94.1Very high67 Ų6766.5 Ų66.555%0.55435%0.348SS*.  trans-76.952.3176.600000112.4Y31 R32A29-Y31 VanDerWaalsContact C-N 3.27Å; A29-Y31 PolarHBondContact O-N 3.35Å; A29-R32 HydrophobicContact CB-CB 4.12Å; A29-R32 HydrophobicContact CB-CG 4.43Å; A29-R32 WeakPolarHBondContact O-CB 3.45Å; A29-R32 WeakPolarHBondContact O-CD 3.34Å; A29-R32 VanDerWaalsContact O-CG 3.25Å; A29-R32 WeakPolarHBondContact O-CG 3.45Å; A29-R32 PolarHBondContact O-N 3.46Å
30L96.1Very high94Very high4 Ų467.2 Ų67.22%0.02135%0.352CS..THydrogen-bonded Turntrans-62.5-33.9-173.5-58.4173.7000112.4H22 R28 A62 D63H22-L30 HydrophobicContact CB-CD1 3.83Å; H22-L30 WeakPolarHBondContact ND1-CD1 3.35Å; R28-L30 HydrophobicContact CB-CD1 4.34Å; R28-L30 HydrophobicContact CB-CD2 3.74Å; R28-L30 HydrophobicContact CB-CG 3.71Å; R28-L30 PolarHBondContact O-N 3.33Å; L30-A62 PolarHBondContact O-N 2.83Å; L30-D63 HydrophobicContact CD2-CB 3.94Å
31Y96.1Very high94Very high10 Ų1073 Ų734%0.03938%0.377CS..THydrogen-bonded Turntrans-99.98.1-175.6-51.1-52.3000113.9L20 H22 Q25 A29 M33 L34 L61 Y123 M144L20-Y31 HydrophobicContact CB-CE1 3.91Å; L20-Y31 HydrophobicContact CD1-CD1 4.06Å; L20-Y31 HydrophobicContact CD1-CE1 3.94Å; L20-Y31 HydrophobicContact CG-CE1 4.38Å; H22-Y31 WeakPolarHBondContact CB-OH 3.11Å; H22-Y31 PolarHBondContact N-OH 3.5Å; H22-Y31 VanDerWaalsContact N-OH 3.1Å; Q25-Y31 HydrophobicContact CB-CD2 4.29Å; Q25-Y31 HydrophobicContact CB-CE2 3.6Å; Q25-Y31 HydrophobicContact CG-CE2 4.46Å; Q25-Y31 PolarHBondContact OE1-OH 3.03Å; A29-Y31 VanDerWaalsContact C-N 3.27Å; A29-Y31 PolarHBondContact O-N 3.35Å; Y31-M33 PolarHBondContact O-N 3.39Å; Y31-L34 HydrophobicContact CD1-CD1 3.81Å; Y31-L34 HydrophobicContact CG-CD1 4.35Å; Y31-L34 WeakPolarHBondContact O-CB 3.13Å; Y31-L34 PolarHBondContact O-N 3.15Å; Y31-L61 HydrophobicContact CD1-CD2 3.81Å; Y31-L61 HydrophobicContact CE1-CD2 4.04Å; Y31-Y123 HydrophobicContact CE1-CD1 4.24Å; Y31-Y123 AromaticContact CE1-CE1 3.76Å; Y31-Y123 HydrophobicContact CE1-CE1 3.76Å; Y31-M144 HydrophobicContact CD2-CG 3.89Å; Y31-M144 HydrophobicContact CD2-SD 3.44Å; Y31-M144 WeakPolarHBondContact CD2-SD 3.18Å; Y31-M144 HydrophobicContact CE2-CG 4.16Å; Y31-M144 HydrophobicContact CE2-SD 4.06Å; Y31-M144 HydrophobicContact CG-SD 4.33Å
32R95.4Very high93.9Very high187 Ų18772.9 Ų72.971%0.70638%0.378SS*.THydrogen-bonded Turntrans-59.9-18-174.572.1-172.7175.9120.10.1115.6A29 A62A29-R32 HydrophobicContact CB-CB 4.12Å; A29-R32 HydrophobicContact CB-CG 4.43Å; A29-R32 WeakPolarHBondContact O-CB 3.45Å; A29-R32 WeakPolarHBondContact O-CD 3.34Å; A29-R32 VanDerWaalsContact O-CG 3.25Å; A29-R32 WeakPolarHBondContact O-CG 3.45Å; A29-R32 PolarHBondContact O-N 3.46Å; R32-A62 HydrophobicContact CG-CB 3.83Å
33M96Very high93.9Very high105 Ų10577.4 Ų77.452%0.51740%0.4SS..THydrogen-bonded Turntrans-100.6-3.9178.9-62.1-58.5-57.500112.5Y31 V60 A62Y31-M33 PolarHBondContact O-N 3.39Å; M33-V60 HydrophobicContact CB-CB 4.09Å; M33-V60 HydrophobicContact CB-CG1 4.38Å; M33-V60 WeakPolarHBondContact CB-O 3.24Å; M33-A62 HydrophobicContact CG-CB 4.27Å
34L96.3Very high94Very high13 Ų1374.9 Ų74.97%0.06839%0.385CS..SBendtrans-85.9139.9175.2-65-177.9000109.5L20 Y31 L36 L50 F59 V60 L61 F142L20-L34 HydrophobicContact CD1-CD1 3.3Å; Y31-L34 HydrophobicContact CD1-CD1 3.81Å; Y31-L34 HydrophobicContact CG-CD1 4.35Å; Y31-L34 WeakPolarHBondContact O-CB 3.13Å; Y31-L34 PolarHBondContact O-N 3.15Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD2 4Å; L34-L36 HydrophobicContact CB-CG 4.39Å; L34-L36 PolarHBondContact O-N 2.92Å; L34-L50 HydrophobicContact CD2-CD1 4.44Å; L34-F59 HydrophobicContact CD2-CB 3.78Å; L34-V60 WeakPolarHBondContact CD2-O 3.42Å; L34-L61 HydrophobicContact CD1-CD2 3.86Å; L34-L61 HydrophobicContact CG-CD2 4.34Å; L34-F142 HydrophobicContact CD1-CD1 4.15Å; L34-F142 HydrophobicContact CD1-CE1 4.45Å; L34-F142 HydrophobicContact CD2-CE1 4.47Å; L34-F142 HydrophobicContact CD2-CZ 4.42Å
35P94.8Very high94Very high41 Ų4179.4 Ų79.427%0.26641%0.406SS..  trans-84.482.5174.638.1-37.2000109.2T38 H40 F59P35-T38 PolarHBondContact O-OG1 2.95Å; P35-T38 VanDerWaalsContact O-OG1 3.08Å; P35-H40 WeakPolarHBondContact CB-CE1 3.47Å; P35-H40 WeakPolarHBondContact CB-NE2 3.33Å; P35-H40 VanDerWaalsContact CG-CD2 3.45Å; P35-H40 WeakPolarHBondContact CG-CD2 3.28Å; P35-H40 VanDerWaalsContact CG-CE1 3.41Å; P35-H40 WeakPolarHBondContact CG-CE1 3.38Å; P35-H40 WeakPolarHBondContact CG-NE2 3.39Å; P35-H40 PolarHBondContact O-NE2 3.09Å; P35-F59 HydrophobicContact CG-CD1 4.22Å; P35-F59 HydrophobicContact CG-CE1 3.94Å
36L93.8Very high94.1Very high50 Ų5082.2 Ų82.226%0.26242%0.422SS..BIsolated β-bridgetrans-66.2151.6-177.8-59.1176.7000111.4L34 T38 F142 M144L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD2 4Å; L34-L36 HydrophobicContact CB-CG 4.39Å; L34-L36 PolarHBondContact O-N 2.92Å; L36-T38 PolarHBondContact O-N 2.81Å; L36-T38 PolarHBondContact O-OG1 2.99Å; L36-F142 HydrophobicContact CD2-CB 3.84Å; L36-M144 HydrophobicContact CD1-CE 3.8Å; L36-M144 HydrophobicContact CD1-CG 4.37Å; L36-M144 HydrophobicContact CD1-SD 3.93Å; L36-M144 HydrophobicContact CD2-CG 4.39Å
37E86.3Confident94.5Very high163 Ų16378.3 Ų78.376%0.76239%0.388SS*.THydrogen-bonded Turntrans55.923.9171.1-56.8-179.9178.700114.5F142E37-F142 PolarHBondContact N-O 2.9Å
38T91.8Very high95Very high66 Ų6673.8 Ų73.841%0.40536%0.356SS..SBendtrans-134.1143.5177.645.10000109P35 L36 H40P35-T38 PolarHBondContact O-OG1 2.95Å; P35-T38 VanDerWaalsContact O-OG1 3.08Å; L36-T38 PolarHBondContact O-N 2.81Å; L36-T38 PolarHBondContact O-OG1 2.99Å; T38-H40 PolarHBondContact O-CD2 2.87Å; T38-H40 PolarHBondContact O-NE2 3.2Å; T38-H40 PolarHBondContact OG1-NE2 2.83Å
39R95.3Very high95.5Very high130 Ų13073.3 Ų73.349%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-86.5128.1175.8-66.7-179.5172.3-154.53.5110E139 E141R39-E139 WeakPolarHBondContact CD-OE2 3.42Å; R39-E139 IonicContact CZ-OE2 2.81Å; R39-E139 IonicContact NE-OE2 3.98Å; R39-E139 IonicContact NH1-OE2 3.52Å; R39-E139 PolarHBondContact NH1-OE2 3.22Å; R39-E141 HydrophobicContact CG-CB 4.32Å; R39-E141 HydrophobicContact CG-CG 4.49Å
40H96.1Very high95.8Very high54 Ų5470.5 Ų70.525%0.2533%0.33CS..EExtended strand (participates in β ladder)trans-111.9110.5-179.6-67.3-80.8000109.8P35 T38 F59 E139 V140P35-H40 WeakPolarHBondContact CB-CE1 3.47Å; P35-H40 WeakPolarHBondContact CB-NE2 3.33Å; P35-H40 VanDerWaalsContact CG-CD2 3.45Å; P35-H40 WeakPolarHBondContact CG-CD2 3.28Å; P35-H40 VanDerWaalsContact CG-CE1 3.41Å; P35-H40 WeakPolarHBondContact CG-CE1 3.38Å; P35-H40 WeakPolarHBondContact CG-NE2 3.39Å; P35-H40 PolarHBondContact O-NE2 3.09Å; T38-H40 PolarHBondContact O-CD2 2.87Å; T38-H40 PolarHBondContact O-NE2 3.2Å; T38-H40 PolarHBondContact OG1-NE2 2.83Å; H40-F59 HydrophobicContact CB-CE1 4.41Å; H40-F59 HydrophobicContact CB-CZ 4.12Å; H40-E139 CarbonylContact O-C 3.54Å; H40-E139 WeakPolarHBondContact O-CA 3.38Å; H40-V140 PolarHBondContact N-O 2.87Å; H40-V140 PolarHBondContact O-N 2.76Å
41K96.8Very high95.9Very high121 Ų12170.3 Ų70.353%0.52633%0.329SS..EExtended strand (participates in β ladder)trans-73.3128.9175.2-175.8178.3-178.1176.80110.5M13 S137 F138M13-K41 HydrophobicContact CE-CD 3.74Å; M13-K41 HydrophobicContact CE-CG 4.47Å; M13-K41 VanDerWaalsContact CE-NZ 3.32Å; M13-K41 HydrophobicContact SD-CD 3.82Å; M13-K41 HydrophobicContact SD-CG 3.88Å; K41-S137 WeakPolarHBondContact CE-OG 3.25Å; K41-F138 CarbonylContact C-O 3.58Å; K41-F138 WeakPolarHBondContact CA-O 3.43Å
42L97.5Very high95.9Very high35 Ų3575.5 Ų75.518%0.18335%0.349CS..EExtended strand (participates in β ladder)trans-128.1150.5178.9-61.5176.4000110.5V48 T58 F59 S137 F138 V140L42-V48 HydrophobicContact CD1-CG1 4.43Å; L42-V48 HydrophobicContact CD1-CG2 3.65Å; L42-T58 HydrophobicContact CD1-CG2 4.2Å; L42-T58 HydrophobicContact CD2-CG2 3.99Å; L42-F59 HydrophobicContact CD1-CE2 3.94Å; L42-F59 HydrophobicContact CD1-CZ 4.1Å; L42-S137 CarbonylContact O-C 3.6Å; L42-S137 WeakPolarHBondContact O-CA 3.47Å; L42-S137 VanDerWaalsContact O-CB 3.22Å; L42-S137 WeakPolarHBondContact O-CB 3.28Å; L42-F138 HydrophobicContact CB-CD1 4.49Å; L42-F138 HydrophobicContact CB-CE1 3.94Å; L42-F138 HydrophobicContact CB-CE2 4.26Å; L42-F138 HydrophobicContact CB-CZ 3.8Å; L42-F138 HydrophobicContact CD1-CE2 4.07Å; L42-F138 HydrophobicContact CD1-CZ 3.97Å; L42-F138 PolarHBondContact N-O 3.49Å; L42-F138 PolarHBondContact O-N 2.73Å; L42-V140 HydrophobicContact CD1-CG2 3.72Å
43Q97.8Very high96.1Very high96 Ų9668.8 Ų68.845%0.44933%0.327SS..EExtended strand (participates in β ladder)trans-75.2139171.9-61.2-58.9-41.800109.8E45 D46 G136Q43-E45 HydrophobicContact CB-CG 4.05Å; Q43-E45 PolarHBondContact O-N 2.71Å; Q43-D46 PolarHBondContact O-N 3.48Å; Q43-G136 PolarHBondContact OE1-O 3.37Å
44A96.6Very high96.1Very high18 Ų1866.8 Ų66.815%0.14933%0.327CS..THydrogen-bonded Turntrans-68.3-22.4-177.800000113.4D46 Q74 A75 M84 G136 F138A44-D46 VanDerWaalsContact C-N 3.34Å; A44-Q74 PolarHBondContact O-NE2 2.89Å; A44-A75 HydrophobicContact CB-CB 4.21Å; A44-M84 HydrophobicContact CB-CE 3.78Å; A44-M84 HydrophobicContact CB-SD 4.22Å; A44-G136 WeakPolarHBondContact CB-O 3.44Å; A44-G136 PolarHBondContact N-O 3.22Å; A44-F138 HydrophobicContact CB-CD1 4.35Å
45E96.3Very high96.1Very high150 Ų15074.8 Ų74.870%0.70136%0.364SS*.THydrogen-bonded Turntrans-69.5-32.2177.962.8-170.5-177.800112.7Q43 Q74Q43-E45 HydrophobicContact CB-CG 4.05Å; Q43-E45 PolarHBondContact O-N 2.71Å; E45-Q74 PolarHBondContact O-NE2 2.76Å
46D95.7Very high96.2Very high100 Ų10074.2 Ų74.254%0.53536%0.362SS..SBendtrans-90.4129.1-175.7-73.1-44.5000111.8Q43 A44 V48Q43-D46 PolarHBondContact O-N 3.48Å; A44-D46 VanDerWaalsContact C-N 3.34Å; D46-V48 PolarHBondContact O-N 3.37Å
47P97.1Very high96.4Very high23 Ų2372.5 Ų72.515%0.14935%0.354CS..PPolyproline II helixtrans-67.1135.3173.323.3-30.1000111.2R49 L73 Q74P47-R49 PolarHBondContact O-N 2.95Å; P47-L73 CarbonylContact C-O 3.38Å; P47-L73 WeakPolarHBondContact CA-O 3.47Å; P47-Q74 VanDerWaalsContact CB-OE1 3.27Å
48V98.2Very high96.9Very high5 Ų567.6 Ų67.63%0.0334%0.336CS..EExtended strand (participates in β ladder)trans-69.9121.4165-170.50000108.2L42 D46 F59 S72 L73 F138 V140L42-V48 HydrophobicContact CD1-CG1 4.43Å; L42-V48 HydrophobicContact CD1-CG2 3.65Å; D46-V48 PolarHBondContact O-N 3.37Å; V48-F59 HydrophobicContact CG1-CD2 3.46Å; V48-F59 VanDerWaalsContact CG1-CD2 3.46Å; V48-F59 HydrophobicContact CG1-CE2 3.52Å; V48-S72 CarbonylContact O-C 3.51Å; V48-S72 WeakPolarHBondContact O-CA 3.49Å; V48-S72 WeakPolarHBondContact O-CB 3.48Å; V48-L73 HydrophobicContact CB-CB 4.16Å; V48-L73 PolarHBondContact N-O 2.99Å; V48-L73 PolarHBondContact O-N 3.01Å; V48-F138 HydrophobicContact CG2-CE2 3.7Å; V48-F138 HydrophobicContact CG2-CZ 3.41Å; V48-F138 VanDerWaalsContact CG2-CZ 3.41Å; V48-V140 HydrophobicContact CG2-CG2 4.39Å
49R98.6Very high97.2Very high102 Ų10265 Ų6539%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-112.3129.3177-68.8175.9-168.4133.97.1110.5P47 A56 C57 T58 F59 L91P47-R49 PolarHBondContact O-N 2.95Å; R49-A56 WeakPolarHBondContact CD-O 3.44Å; R49-C57 HydrophobicContact CB-CB 4.31Å; R49-C57 WeakPolarHBondContact O-CB 3.39Å; R49-T58 PolarHBondContact N-OG1 3.49Å; R49-T58 PolarHBondContact O-N 2.88Å; R49-F59 PolarHBondContact O-N 2.59Å; R49-L91 HydrophobicContact CG-CD1 4.46Å
50L98.6Very high97.4Very high7 Ų759.8 Ų59.84%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-111.3136.5173.7-171.770.4000109.4L34 F59 L61 Q70 L71 F120 M125L34-L50 HydrophobicContact CD2-CD1 4.44Å; L50-F59 WeakPolarHBondContact CA-O 3.08Å; L50-F59 HydrophobicContact CD1-CB 3.88Å; L50-L61 HydrophobicContact CD1-CD1 4.32Å; L50-L61 HydrophobicContact CD1-CD2 4.42Å; L50-L61 HydrophobicContact CD1-CG 3.98Å; L50-L61 HydrophobicContact CD2-CD1 4.11Å; L50-L61 HydrophobicContact CG-CD1 4.13Å; L50-L61 HydrophobicContact CG-CG 4.3Å; L50-Q70 WeakPolarHBondContact O-CA 3.45Å; L50-Q70 VanDerWaalsContact O-CB 3.29Å; L50-Q70 WeakPolarHBondContact O-CB 3.29Å; L50-Q70 PolarHBondContact O-N 3.38Å; L50-L71 HydrophobicContact CB-CD1 3.93Å; L50-L71 HydrophobicContact CB-CG 4.17Å; L50-L71 HydrophobicContact CD2-CG 4.49Å; L50-L71 PolarHBondContact N-O 3.03Å; L50-L71 PolarHBondContact O-N 2.86Å; L50-F120 HydrophobicContact CD2-CE1 4.42Å; L50-F120 HydrophobicContact CD2-CZ 4.18Å; L50-M125 HydrophobicContact CD2-SD 4.01Å
51G98.3Very high97.5Very high0 Ų057.3 Ų57.30%029%0.29CS..EExtended strand (participates in β ladder)trans175.3-166.4179.800000111.1C57 F59 V60 L61G51-C57 VanDerWaalsContact CA-SG 3.6Å; G51-C57 PolarHBondContact N-SG 2.8Å; G51-F59 PolarHBondContact N-O 3.3Å; G51-V60 CarbonylContact O-C 3.58Å; G51-V60 VanDerWaalsContact O-CA 3.29Å; G51-V60 WeakPolarHBondContact O-CA 3.36Å; G51-L61 PolarHBondContact O-N 2.88Å
52R97.7Very high97.5Very high119 Ų11952.9 Ų52.945%0.44928%0.276SS..SBendtrans-99.4-6.117770.6171174.190.3-3.2115V66 S67 R68R52-V66 HydrophobicContact CB-CB 4.43Å; R52-V66 WeakPolarHBondContact CD-O 3.43Å; R52-V66 WeakPolarHBondContact CG-O 3.38Å; R52-V66 PolarHBondContact NE-O 2.9Å; R52-S67 PolarHBondContact N-O 3.47Å; R52-S67 VanDerWaalsContact N-O 3.09Å; R52-R68 PolarHBondContact N-O 3.33Å
53D97.9Very high97.4Very high47 Ų4751.4 Ų51.425%0.25127%0.268SS..  trans-97.1107.1-175.5-172.4-11.3000111.2Q55 A56 C57 R68D53-Q55 PolarHBondContact O-N 2.83Å; D53-Q55 PolarHBondContact OD1-N 2.85Å; D53-Q55 VanDerWaalsContact OD1-N 3.08Å; D53-A56 HydrophobicContact CB-CB 4.14Å; D53-A56 PolarHBondContact O-N 2.89Å; D53-A56 VanDerWaalsContact O-N 3.1Å; D53-C57 WeakPolarHBondContact O-CB 3.41Å; D53-C57 PolarHBondContact O-N 2.94Å; D53-R68 HydrophobicContact CB-CB 3.84Å; D53-R68 HydrophobicContact CB-CG 4.21Å; D53-R68 WeakPolarHBondContact CB-O 3.3Å; D53-R68 PolarHBondContact N-O 3.35Å
54A96.4Very high97.2Very high62 Ų6252 Ų5251%0.51228%0.281SS..THydrogen-bonded Turntrans-65.7-17-177.500000114.6V60A54-V60 HydrophobicContact CB-CG2 3.91Å
55Q96.7Very high97.2Very high182 Ų18256.8 Ų56.885%0.8530%0.295SS*.THydrogen-bonded Turntrans-86.4-21.9175.8-61.7-58.5-54.400112.3D53D53-Q55 PolarHBondContact O-N 2.83Å; D53-Q55 PolarHBondContact OD1-N 2.85Å; D53-Q55 VanDerWaalsContact OD1-N 3.08Å
56A95.9Very high97.2Very high28 Ų2849.9 Ų49.923%0.23126%0.263CS..THydrogen-bonded Turntrans-110.4-14.9-173.600000113.9R49 D53 K69R49-A56 WeakPolarHBondContact CD-O 3.44Å; D53-A56 HydrophobicContact CB-CB 4.14Å; D53-A56 PolarHBondContact O-N 2.89Å; D53-A56 VanDerWaalsContact O-N 3.1Å; A56-K69 HydrophobicContact CB-CD 4.18Å; A56-K69 HydrophobicContact CB-CG 4.01Å
57C98.3Very high97.3Very high14 Ų1446.3 Ų46.310%0.09525%0.246CC..  trans-117.8139.8-173.3-69.10000112.5R49 G51 D53 F59 R68R49-C57 HydrophobicContact CB-CB 4.31Å; R49-C57 WeakPolarHBondContact O-CB 3.39Å; G51-C57 VanDerWaalsContact CA-SG 3.6Å; G51-C57 PolarHBondContact N-SG 2.8Å; D53-C57 WeakPolarHBondContact O-CB 3.41Å; D53-C57 PolarHBondContact O-N 2.94Å; C57-F59 VanDerWaalsContact C-N 3.33Å; C57-F59 WeakPolarHBondContact CB-O 3.42Å; C57-R68 PolarHBondContact SG-O 3.47Å
58T98Very high97.3Very high61 Ų6152.7 Ų52.737%0.37427%0.267SS..SBendtrans-64.5-41.3171.4-41.70000110.8L42 R49L42-T58 HydrophobicContact CD1-CG2 4.2Å; L42-T58 HydrophobicContact CD2-CG2 3.99Å; R49-T58 PolarHBondContact N-OG1 3.49Å; R49-T58 PolarHBondContact O-N 2.88Å
59F98.3Very high97.3Very high12 Ų1257.2 Ų57.25%0.05329%0.286CS..EExtended strand (participates in β ladder)trans-127.9138.5179-60.3-64.2000110.4L34 P35 H40 L42 V48 R49 L50 G51 C57 V140 F142L34-F59 HydrophobicContact CD2-CB 3.78Å; P35-F59 HydrophobicContact CG-CD1 4.22Å; P35-F59 HydrophobicContact CG-CE1 3.94Å; H40-F59 HydrophobicContact CB-CE1 4.41Å; H40-F59 HydrophobicContact CB-CZ 4.12Å; L42-F59 HydrophobicContact CD1-CE2 3.94Å; L42-F59 HydrophobicContact CD1-CZ 4.1Å; V48-F59 HydrophobicContact CG1-CD2 3.46Å; V48-F59 VanDerWaalsContact CG1-CD2 3.46Å; V48-F59 HydrophobicContact CG1-CE2 3.52Å; R49-F59 PolarHBondContact O-N 2.59Å; L50-F59 WeakPolarHBondContact CA-O 3.08Å; L50-F59 HydrophobicContact CD1-CB 3.88Å; G51-F59 PolarHBondContact N-O 3.3Å; C57-F59 VanDerWaalsContact C-N 3.33Å; C57-F59 WeakPolarHBondContact CB-O 3.42Å; F59-V140 HydrophobicContact CE2-CB 4.13Å; F59-V140 HydrophobicContact CE2-CG1 3.95Å; F59-V140 HydrophobicContact CE2-CG2 4.23Å; F59-V140 HydrophobicContact CZ-CB 4.16Å; F59-V140 HydrophobicContact CZ-CG1 4.22Å; F59-F142 HydrophobicContact CB-CE2 4.27Å; F59-F142 HydrophobicContact CB-CZ 3.96Å; F59-F142 HydrophobicContact CD1-CD2 4.47Å; F59-F142 AromaticContact CD1-CE2 3.53Å; F59-F142 HydrophobicContact CD1-CE2 3.53Å; F59-F142 HydrophobicContact CD1-CZ 4.08Å; F59-F142 AromaticContact CD2-CE2 3.59Å; F59-F142 HydrophobicContact CD2-CE2 3.59Å; F59-F142 AromaticContact CD2-CZ 3.48Å; F59-F142 HydrophobicContact CD2-CZ 3.48Å; F59-F142 VanDerWaalsContact CD2-CZ 3.48Å; F59-F142 HydrophobicContact CE1-CD2 4.46Å; F59-F142 AromaticContact CE1-CE2 3.63Å; F59-F142 HydrophobicContact CE1-CE2 3.63Å; F59-F142 HydrophobicContact CE1-CZ 4.48Å; F59-F142 AromaticContact CE2-CE2 3.67Å; F59-F142 HydrophobicContact CE2-CE2 3.67Å; F59-F142 AromaticContact CE2-CZ 3.92Å; F59-F142 HydrophobicContact CE2-CZ 3.92Å; F59-F142 AromaticContact CG-CE2 3.51Å; F59-F142 HydrophobicContact CG-CE2 3.51Å; F59-F142 AromaticContact CG-CZ 3.56Å; F59-F142 HydrophobicContact CG-CZ 3.56Å; F59-F142 AromaticContact CZ-CE2 3.7Å; F59-F142 HydrophobicContact CZ-CE2 3.7Å; F59-F142 HydrophobicContact CZ-CZ 4.41Å
60V98.3Very high97.3Very high20 Ų2052.7 Ų52.712%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-117.1129-169.2-177.30000110.9M33 L34 G51 A54M33-V60 HydrophobicContact CB-CB 4.09Å; M33-V60 HydrophobicContact CB-CG1 4.38Å; M33-V60 WeakPolarHBondContact CB-O 3.24Å; L34-V60 WeakPolarHBondContact CD2-O 3.42Å; G51-V60 CarbonylContact O-C 3.58Å; G51-V60 VanDerWaalsContact O-CA 3.29Å; G51-V60 WeakPolarHBondContact O-CA 3.36Å; A54-V60 HydrophobicContact CB-CG2 3.91Å
61L97.8Very high97.3Very high1 Ų152.5 Ų52.51%0.00527%0.268CS..  trans-93.9127.5166.9-64.3175.1000109.3Y31 L34 L50 G51 D63 V66 F120 Y123Y31-L61 HydrophobicContact CD1-CD2 3.81Å; Y31-L61 HydrophobicContact CE1-CD2 4.04Å; L34-L61 HydrophobicContact CD1-CD2 3.86Å; L34-L61 HydrophobicContact CG-CD2 4.34Å; L50-L61 HydrophobicContact CD1-CD1 4.32Å; L50-L61 HydrophobicContact CD1-CD2 4.42Å; L50-L61 HydrophobicContact CD1-CG 3.98Å; L50-L61 HydrophobicContact CD2-CD1 4.11Å; L50-L61 HydrophobicContact CG-CD1 4.13Å; L50-L61 HydrophobicContact CG-CG 4.3Å; G51-L61 PolarHBondContact O-N 2.88Å; L61-D63 PolarHBondContact O-N 2.92Å; L61-V66 HydrophobicContact CB-CG2 4.39Å; L61-V66 HydrophobicContact CD1-CG1 4.28Å; L61-V66 HydrophobicContact CD1-CG2 4.11Å; L61-F120 HydrophobicContact CD1-CE2 4.1Å; L61-F120 HydrophobicContact CD1-CZ 3.9Å; L61-Y123 HydrophobicContact CD1-CD1 4.34Å; L61-Y123 HydrophobicContact CD1-CE1 4.04Å; L61-Y123 HydrophobicContact CD2-CE1 4.35Å
62A96.9Very high97.3Very high29 Ų2952.9 Ų52.924%0.2427%0.271CS..  trans-81.553.6178.200000111.6L30 R32 M33L30-A62 PolarHBondContact O-N 2.83Å; R32-A62 HydrophobicContact CG-CB 3.83Å; M33-A62 HydrophobicContact CG-CB 4.27Å
63D96.4Very high97.4Very high3 Ų347.4 Ų47.42%0.01625%0.25CS..  trans-131.3117.8-178.8-170.7-19.1000110.9L30 L61 R65 V66 Y123L30-D63 HydrophobicContact CD2-CB 3.94Å; L61-D63 PolarHBondContact O-N 2.92Å; D63-R65 PolarHBondContact O-N 3.08Å; D63-R65 VanDerWaalsContact O-N 3.16Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.33Å; D63-R65 WeakPolarHBondContact OD1-CG 3.33Å; D63-R65 IonicContact OD1-CZ 3.6Å; D63-R65 PolarHBondContact OD1-N 3.1Å; D63-R65 IonicContact OD1-NE 2.69Å; D63-R65 PolarHBondContact OD1-NE 3.17Å; D63-R65 IonicContact OD1-NH2 3.76Å; D63-R65 IonicContact OD2-CZ 3.52Å; D63-R65 IonicContact OD2-NE 3.26Å; D63-R65 PolarHBondContact OD2-NE 3.24Å; D63-R65 IonicContact OD2-NH2 3.62Å; D63-R65 PolarHBondContact OD2-NH2 3.46Å; D63-V66 HydrophobicContact CB-CG2 3.83Å; D63-V66 PolarHBondContact O-N 3.19Å; D63-Y123 WeakPolarHBondContact CB-OH 3.34Å; D63-Y123 WeakPolarHBondContact OD2-CE2 3.44Å; D63-Y123 PolarHBondContact OD2-OH 2.89Å
64P94.4Very high97.4Very high110 Ų11047.4 Ų47.471%0.71425%0.249SC*.THydrogen-bonded Turntrans-65.1-17.9179.827.3-35.2000113.7V66P64-V66 VanDerWaalsContact C-N 3.33Å
65R95Very high97.5Very high118 Ų11845 Ų4545%0.44523%0.229SC..THydrogen-bonded Turntrans-78.3-19.3178.6-59.5172.5-66.2164.111.9112.6H22 D63 E122H22-R65 PolarHBondContact CE1-NH2 2.87Å; H22-R65 PolarHBondContact NE2-NH2 2.93Å; D63-R65 PolarHBondContact O-N 3.08Å; D63-R65 VanDerWaalsContact O-N 3.16Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.33Å; D63-R65 WeakPolarHBondContact OD1-CG 3.33Å; D63-R65 IonicContact OD1-CZ 3.6Å; D63-R65 PolarHBondContact OD1-N 3.1Å; D63-R65 IonicContact OD1-NE 2.69Å; D63-R65 PolarHBondContact OD1-NE 3.17Å; D63-R65 IonicContact OD1-NH2 3.76Å; D63-R65 IonicContact OD2-CZ 3.52Å; D63-R65 IonicContact OD2-NE 3.26Å; D63-R65 PolarHBondContact OD2-NE 3.24Å; D63-R65 IonicContact OD2-NH2 3.62Å; D63-R65 PolarHBondContact OD2-NH2 3.46Å; R65-E122 IonicContact CZ-OE2 3.01Å; R65-E122 IonicContact NH1-OE2 3.84Å; R65-E122 PolarHBondContact NH1-OE2 2.96Å; R65-E122 IonicContact NH2-OE2 3.85Å
66V97Very high97.5Very high5 Ų539.1 Ų39.13%0.0320%0.2CC..SBendtrans-75.4144.2176.4177.30000109.6R52 L61 D63 P64 Q70 F120 Y123R52-V66 HydrophobicContact CB-CB 4.43Å; R52-V66 WeakPolarHBondContact CD-O 3.43Å; R52-V66 WeakPolarHBondContact CG-O 3.38Å; R52-V66 PolarHBondContact NE-O 2.9Å; L61-V66 HydrophobicContact CB-CG2 4.39Å; L61-V66 HydrophobicContact CD1-CG1 4.28Å; L61-V66 HydrophobicContact CD1-CG2 4.11Å; D63-V66 HydrophobicContact CB-CG2 3.83Å; D63-V66 PolarHBondContact O-N 3.19Å; P64-V66 VanDerWaalsContact C-N 3.33Å; V66-Q70 HydrophobicContact CG1-CB 3.84Å; V66-Q70 HydrophobicContact CG1-CG 4.19Å; V66-F120 HydrophobicContact CG2-CE2 4.23Å; V66-Y123 HydrophobicContact CG2-CD2 4.29Å; V66-Y123 HydrophobicContact CG2-CE2 3.6Å
67S97.8Very high97.5Very high24 Ų2443 Ų4317%0.16821%0.208CC..  trans-65153.5174.7-81.80000111.5R52 K69 Q70 S92R52-S67 PolarHBondContact N-O 3.47Å; R52-S67 VanDerWaalsContact N-O 3.09Å; S67-K69 VanDerWaalsContact CB-O 3.28Å; S67-K69 WeakPolarHBondContact CB-O 3.18Å; S67-K69 PolarHBondContact O-N 2.83Å; S67-Q70 VanDerWaalsContact N-OE1 3.15Å; S67-S92 WeakPolarHBondContact CB-OG 3.43Å; S67-S92 PolarHBondContact OG-OG 2.9Å
68R97.4Very high97.3Very high158 Ų15844.5 Ų44.560%0.59622%0.217SC*.SBendtrans-49.5-45.8175.2-74.5-171.1-69.1178.2-1.9111.2R52 D53 C57R52-R68 PolarHBondContact N-O 3.33Å; D53-R68 HydrophobicContact CB-CB 3.84Å; D53-R68 HydrophobicContact CB-CG 4.21Å; D53-R68 WeakPolarHBondContact CB-O 3.3Å; D53-R68 PolarHBondContact N-O 3.35Å; C57-R68 PolarHBondContact SG-O 3.47Å
69K97.9Very high97.1Very high100 Ų10048.1 Ų48.144%0.43525%0.245SC..SBendtrans-120.9117.4165.4-61.8178.6-70.3-177.40107.2A56 S67 L91A56-K69 HydrophobicContact CB-CD 4.18Å; A56-K69 HydrophobicContact CB-CG 4.01Å; S67-K69 VanDerWaalsContact CB-O 3.28Å; S67-K69 WeakPolarHBondContact CB-O 3.18Å; S67-K69 PolarHBondContact O-N 2.83Å; K69-L91 HydrophobicContact CB-CB 3.81Å; K69-L91 HydrophobicContact CB-CD1 3.99Å; K69-L91 HydrophobicContact CD-CD1 4.5Å; K69-L91 CarbonylContact O-C 3.54Å
70Q98.4Very high96.8Very high7 Ų754.1 Ų54.13%0.03328%0.278CS..  trans-93.6-54.1-177.1-176.260.844.400110.9L50 V66 S67 N90 L91 S92 F120L50-Q70 WeakPolarHBondContact O-CA 3.45Å; L50-Q70 VanDerWaalsContact O-CB 3.29Å; L50-Q70 WeakPolarHBondContact O-CB 3.29Å; L50-Q70 PolarHBondContact O-N 3.38Å; V66-Q70 HydrophobicContact CG1-CB 3.84Å; V66-Q70 HydrophobicContact CG1-CG 4.19Å; S67-Q70 VanDerWaalsContact N-OE1 3.15Å; Q70-N90 PolarHBondContact O-OD1 3Å; Q70-L91 PolarHBondContact O-N 3.3Å; Q70-S92 PolarHBondContact O-N 2.82Å; Q70-F120 HydrophobicContact CG-CD1 4.19Å; Q70-F120 HydrophobicContact CG-CD2 3.58Å; Q70-F120 HydrophobicContact CG-CE1 4.32Å; Q70-F120 HydrophobicContact CG-CE2 3.74Å; Q70-F120 HydrophobicContact CG-CG 3.83Å; Q70-F120 HydrophobicContact CG-CZ 4.12Å
71L98.5Very high96.4Very high2 Ų254.6 Ų54.61%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-150.2164.7179.461.882.3000110.5L50 L73 Q89 I118 F120 M125L50-L71 HydrophobicContact CB-CD1 3.93Å; L50-L71 HydrophobicContact CB-CG 4.17Å; L50-L71 HydrophobicContact CD2-CG 4.49Å; L50-L71 PolarHBondContact N-O 3.03Å; L50-L71 PolarHBondContact O-N 2.86Å; L71-L73 HydrophobicContact CD1-CD2 4.33Å; L71-L73 HydrophobicContact CD1-CG 4.3Å; L71-Q89 CarbonylContact C-O 3.57Å; L71-Q89 VanDerWaalsContact CA-O 3.22Å; L71-Q89 WeakPolarHBondContact CA-O 3.42Å; L71-Q89 WeakPolarHBondContact CB-O 3.37Å; L71-I118 HydrophobicContact CD2-CG2 3.98Å; L71-F120 HydrophobicContact CD2-CD1 4.05Å; L71-F120 HydrophobicContact CD2-CE1 3.9Å; L71-M125 HydrophobicContact CD1-CE 4.38Å; L71-M125 HydrophobicContact CD2-CE 3.73Å
72S98.6Very high96.1Very high8 Ų859.4 Ų59.46%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-130.6145.7167.554.90000112.4V48 V88 Q89V48-S72 CarbonylContact O-C 3.51Å; V48-S72 WeakPolarHBondContact O-CA 3.49Å; V48-S72 WeakPolarHBondContact O-CB 3.48Å; S72-V88 CarbonylContact O-C 3.59Å; S72-V88 WeakPolarHBondContact O-CA 3.1Å; S72-Q89 PolarHBondContact N-O 2.85Å; S72-Q89 PolarHBondContact O-N 2.89Å
73L98.7Very high96Very high4 Ų460 Ų602%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-108124.6168.3-51.4174.8000108.3L16 I18 P47 V48 L71 S87 V88 L112 I127L16-L73 HydrophobicContact CD1-CD1 3.96Å; I18-L73 HydrophobicContact CD1-CD1 4.17Å; P47-L73 CarbonylContact C-O 3.38Å; P47-L73 WeakPolarHBondContact CA-O 3.47Å; V48-L73 HydrophobicContact CB-CB 4.16Å; V48-L73 PolarHBondContact N-O 2.99Å; V48-L73 PolarHBondContact O-N 3.01Å; L71-L73 HydrophobicContact CD1-CD2 4.33Å; L71-L73 HydrophobicContact CD1-CG 4.3Å; L73-S87 CarbonylContact C-O 3.35Å; L73-S87 VanDerWaalsContact CA-O 3.26Å; L73-S87 WeakPolarHBondContact CA-O 3.3Å; L73-V88 HydrophobicContact CD2-CB 3.78Å; L73-V88 HydrophobicContact CD2-CG2 3.92Å; L73-L112 HydrophobicContact CD2-CD2 4.4Å; L73-I127 HydrophobicContact CD1-CD1 3.71Å; L73-I127 HydrophobicContact CD2-CD1 4.13Å
74Q98.4Very high96Very high47 Ų4760.1 Ų60.122%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-116.6123179.1-179.56857.800109.4A44 E45 P47 F86 S87A44-Q74 PolarHBondContact O-NE2 2.89Å; E45-Q74 PolarHBondContact O-NE2 2.76Å; P47-Q74 VanDerWaalsContact CB-OE1 3.27Å; Q74-F86 CarbonylContact O-C 3.57Å; Q74-F86 WeakPolarHBondContact O-CA 3.5Å; Q74-S87 PolarHBondContact N-O 2.95Å; Q74-S87 PolarHBondContact O-N 2.78Å
75A98.3Very high96.2Very high12 Ų1256.1 Ų56.110%0.09929%0.285CS..EExtended strand (participates in β ladder)trans-69.5142.8171.100000110.5A44 M84 L85 F86 F138A44-A75 HydrophobicContact CB-CB 4.21Å; A75-M84 HydrophobicContact CB-CG 3.95Å; A75-M84 HydrophobicContact CB-SD 3.72Å; A75-L85 CarbonylContact C-O 3.55Å; A75-L85 VanDerWaalsContact CA-O 3.3Å; A75-L85 WeakPolarHBondContact CA-O 3.33Å; A75-F86 HydrophobicContact CB-CD1 4.02Å; A75-F86 HydrophobicContact CB-CE1 3.62Å; A75-F86 HydrophobicContact CB-CZ 4.17Å; A75-F138 HydrophobicContact CB-CE1 4.42Å
76Y97.3Very high96.3Very high59 Ų5950.5 Ų50.523%0.23126%0.264CS..EExtended strand (participates in β ladder)trans-150.7169.517271.8-81.2000110.7T78 L85 F86 E111Y76-T78 HydrophobicContact CD2-CG2 4.06Å; Y76-T78 HydrophobicContact CE2-CG2 3.74Å; Y76-L85 HydrophobicContact CD1-CB 3.99Å; Y76-L85 HydrophobicContact CD2-CB 4.19Å; Y76-L85 HydrophobicContact CD2-CD1 4.5Å; Y76-L85 HydrophobicContact CE1-CB 3.58Å; Y76-L85 HydrophobicContact CE2-CB 3.82Å; Y76-L85 HydrophobicContact CE2-CD1 3.74Å; Y76-L85 HydrophobicContact CE2-CG 4.4Å; Y76-L85 HydrophobicContact CG-CB 4.28Å; Y76-L85 VanDerWaalsContact CZ-CB 3.49Å; Y76-L85 PolarHBondContact N-O 2.84Å; Y76-L85 PolarHBondContact O-N 2.82Å; Y76-F86 WeakPolarHBondContact CE1-O 3.36Å; Y76-E111 WeakPolarHBondContact OH-CG 3.26Å; Y76-E111 PolarHBondContact OH-OE1 3.28Å
77R95.9Very high96.4Very high110 Ų11050.7 Ų50.742%0.41527%0.266SS..  trans-133156173.9-62.8-175.771.916811.7109.9P82R77-P82 PolarHBondContact NH2-O 3.18Å
78T94.4Very high96.5Very high44 Ų4449.6 Ų49.627%0.2726%0.258SS..  trans-121.1156.9175.957.20000109Y76 N80 S81 L85Y76-T78 HydrophobicContact CD2-CG2 4.06Å; Y76-T78 HydrophobicContact CE2-CG2 3.74Å; T78-N80 WeakPolarHBondContact CB-OD1 3.39Å; T78-N80 PolarHBondContact O-N 3.34Å; T78-N80 PolarHBondContact OG1-OD1 2.9Å; T78-S81 PolarHBondContact O-N 2.9Å; T78-S81 VanDerWaalsContact O-O 3.07Å; T78-S81 WeakPolarHBondContact OG1-CB 3.27Å; T78-L85 HydrophobicContact CG2-CD1 3.94Å
79S93.3Very high96.5Very high138 Ų13843.6 Ų43.697%0.96524%0.236SC*.THydrogen-bonded Turntrans-69-18177.852.40000113.4
80N92.8Very high96.6Very high138 Ų13839 Ų3974%0.73822%0.216SC*.THydrogen-bonded Turntrans-97.6-1.3-176.963.5-0.9000113.9T78T78-N80 WeakPolarHBondContact CB-OD1 3.39Å; T78-N80 PolarHBondContact O-N 3.34Å; T78-N80 PolarHBondContact OG1-OD1 2.9Å
81S90Very high96.6Very high30 Ų3039.9 Ų39.921%0.2122%0.221CC..  trans-136.3133.9179.9-175.60000111.2T78 D83T78-S81 PolarHBondContact O-N 2.9Å; T78-S81 VanDerWaalsContact O-O 3.07Å; T78-S81 WeakPolarHBondContact OG1-CB 3.27Å; S81-D83 PolarHBondContact O-N 3.49Å; S81-D83 PolarHBondContact OG-N 3.1Å
82P90.3Very high96.5Very high102 Ų10240 Ų4066%0.66222%0.222SC*.SBendtrans-71.4-22.1171.331.2-34.4000112R77R77-P82 PolarHBondContact NH2-O 3.18Å
83D95.2Very high96.4Very high40 Ų4046.9 Ų46.921%0.21425%0.254CS..SBendtrans-72152.5-171.5-63-17.4000113.2S81 L85 R129 N131S81-D83 PolarHBondContact O-N 3.49Å; S81-D83 PolarHBondContact OG-N 3.1Å; D83-L85 HydrophobicContact CB-CD2 4.2Å; D83-R129 IonicContact OD2-NH2 3.38Å; D83-N131 VanDerWaalsContact CG-ND2 3.27Å; D83-N131 PolarHBondContact OD1-ND2 3.24Å; D83-N131 PolarHBondContact OD2-ND2 2.83Å
84M96.8Very high96Very high6 Ų656.5 Ų56.53%0.0330%0.295CS..PPolyproline II helixtrans-77.9119162.2-171.2-179.6-6200109.7T14 A44 A75 F86 R129 F138T14-M84 HydrophobicContact CG2-CB 4.25Å; A44-M84 HydrophobicContact CB-CE 3.78Å; A44-M84 HydrophobicContact CB-SD 4.22Å; A75-M84 HydrophobicContact CB-CG 3.95Å; A75-M84 HydrophobicContact CB-SD 3.72Å; M84-F86 HydrophobicContact CG-CE2 4.05Å; M84-F86 HydrophobicContact CG-CZ 4.03Å; M84-F86 HydrophobicContact SD-CE1 4.41Å; M84-F86 HydrophobicContact SD-CE2 4.26Å; M84-F86 HydrophobicContact SD-CZ 3.69Å; M84-R129 WeakPolarHBondContact O-CD 3.29Å; M84-F138 HydrophobicContact CE-CB 4.37Å; M84-F138 HydrophobicContact SD-CB 3.72Å; M84-F138 HydrophobicContact SD-CD1 3.91Å; M84-F138 HydrophobicContact SD-CG 4.04Å
85L97.8Very high95.4Very high26 Ų2655.5 Ų55.514%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-100.7164.2178-53.8-179.5000110A75 Y76 T78 D83A75-L85 CarbonylContact C-O 3.55Å; A75-L85 VanDerWaalsContact CA-O 3.3Å; A75-L85 WeakPolarHBondContact CA-O 3.33Å; Y76-L85 HydrophobicContact CD1-CB 3.99Å; Y76-L85 HydrophobicContact CD2-CB 4.19Å; Y76-L85 HydrophobicContact CD2-CD1 4.5Å; Y76-L85 HydrophobicContact CE1-CB 3.58Å; Y76-L85 HydrophobicContact CE2-CB 3.82Å; Y76-L85 HydrophobicContact CE2-CD1 3.74Å; Y76-L85 HydrophobicContact CE2-CG 4.4Å; Y76-L85 HydrophobicContact CG-CB 4.28Å; Y76-L85 VanDerWaalsContact CZ-CB 3.49Å; Y76-L85 PolarHBondContact N-O 2.84Å; Y76-L85 PolarHBondContact O-N 2.82Å; T78-L85 HydrophobicContact CG2-CD1 3.94Å; D83-L85 HydrophobicContact CB-CD2 4.2Å
86F98.5Very high95.1Very high1 Ų162.9 Ų62.90%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-133.6144.7-179.4-68-92.5000110.9T14 L16 Q74 A75 Y76 M84 L112 F138T14-F86 HydrophobicContact CG2-CE2 3.8Å; T14-F86 HydrophobicContact CG2-CZ 4.31Å; L16-F86 HydrophobicContact CD1-CD1 3.76Å; L16-F86 HydrophobicContact CD1-CD2 4.36Å; L16-F86 HydrophobicContact CD1-CE1 3.67Å; L16-F86 HydrophobicContact CD1-CE2 4.29Å; L16-F86 HydrophobicContact CD1-CG 4.1Å; L16-F86 HydrophobicContact CD1-CZ 3.95Å; L16-F86 HydrophobicContact CD2-CD2 3.77Å; L16-F86 HydrophobicContact CD2-CE2 3.79Å; L16-F86 HydrophobicContact CD2-CG 4.2Å; L16-F86 HydrophobicContact CD2-CZ 4.23Å; L16-F86 HydrophobicContact CG-CD2 4.36Å; L16-F86 HydrophobicContact CG-CE1 4.23Å; L16-F86 HydrophobicContact CG-CE2 4.05Å; L16-F86 HydrophobicContact CG-CZ 3.98Å; Q74-F86 CarbonylContact O-C 3.57Å; Q74-F86 WeakPolarHBondContact O-CA 3.5Å; A75-F86 HydrophobicContact CB-CD1 4.02Å; A75-F86 HydrophobicContact CB-CE1 3.62Å; A75-F86 HydrophobicContact CB-CZ 4.17Å; Y76-F86 WeakPolarHBondContact CE1-O 3.36Å; M84-F86 HydrophobicContact CG-CE2 4.05Å; M84-F86 HydrophobicContact CG-CZ 4.03Å; M84-F86 HydrophobicContact SD-CE1 4.41Å; M84-F86 HydrophobicContact SD-CE2 4.26Å; M84-F86 HydrophobicContact SD-CZ 3.69Å; F86-L112 HydrophobicContact CB-CB 4.18Å; F86-L112 HydrophobicContact CB-CD2 4.2Å; F86-L112 WeakPolarHBondContact O-CA 3.45Å; F86-L112 WeakPolarHBondContact O-CB 3.42Å; F86-L112 PolarHBondContact O-N 2.93Å; F86-F138 HydrophobicContact CE1-CD1 4.32Å; F86-F138 AromaticContact CE1-CD2 3.9Å; F86-F138 HydrophobicContact CE1-CD2 3.9Å; F86-F138 HydrophobicContact CE1-CE1 4.28Å; F86-F138 AromaticContact CE1-CE2 3.83Å; F86-F138 HydrophobicContact CE1-CE2 3.83Å; F86-F138 HydrophobicContact CE1-CG 4.15Å; F86-F138 HydrophobicContact CE1-CZ 4.05Å; F86-F138 HydrophobicContact CZ-CB 4.23Å; F86-F138 HydrophobicContact CZ-CD1 4.32Å; F86-F138 AromaticContact CZ-CD2 3.76Å; F86-F138 HydrophobicContact CZ-CD2 3.76Å; F86-F138 HydrophobicContact CZ-CE2 4.19Å; F86-F138 AromaticContact CZ-CG 3.84Å; F86-F138 HydrophobicContact CZ-CG 3.84Å
87S98.5Very high95.1Very high9 Ų960 Ų606%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-115.6147.9168.762.10000109.3L73 Q74 A110L73-S87 CarbonylContact C-O 3.35Å; L73-S87 VanDerWaalsContact CA-O 3.26Å; L73-S87 WeakPolarHBondContact CA-O 3.3Å; Q74-S87 PolarHBondContact N-O 2.95Å; Q74-S87 PolarHBondContact O-N 2.78Å; S87-A110 CarbonylContact C-O 3.55Å; S87-A110 VanDerWaalsContact CA-O 3.27Å; S87-A110 WeakPolarHBondContact CA-O 3.19Å; S87-A110 WeakPolarHBondContact CB-O 3.15Å
88V98.7Very high95.2Very high0 Ų056.3 Ų56.30%030%0.301CS..EExtended strand (participates in β ladder)trans-109.5135174.155.50000109.1S72 L73 V99 L104 R109 A110 L112 I118S72-V88 CarbonylContact O-C 3.59Å; S72-V88 WeakPolarHBondContact O-CA 3.1Å; L73-V88 HydrophobicContact CD2-CB 3.78Å; L73-V88 HydrophobicContact CD2-CG2 3.92Å; V88-V99 HydrophobicContact CG1-CG1 4.23Å; V88-V99 HydrophobicContact CG1-CG2 3.53Å; V88-L104 HydrophobicContact CG1-CD1 4.19Å; V88-R109 CarbonylContact O-C 3.52Å; V88-R109 VanDerWaalsContact O-CA 3.23Å; V88-R109 WeakPolarHBondContact O-CA 3.15Å; V88-R109 WeakPolarHBondContact O-CG 3.43Å; V88-A110 PolarHBondContact N-O 2.74Å; V88-A110 PolarHBondContact O-N 3.47Å; V88-L112 HydrophobicContact CB-CD1 4.32Å; V88-L112 HydrophobicContact CG1-CD1 3.98Å; V88-I118 HydrophobicContact CB-CD1 4.33Å; V88-I118 HydrophobicContact CG2-CD1 3.92Å
89Q98.7Very high95.4Very high33 Ų3354.6 Ų54.615%0.15429%0.29CS..EExtended strand (participates in β ladder)trans-126.7134.7177.3-175.8173.122.900110.1L71 S72 L91 L107 E108 R109L71-Q89 CarbonylContact C-O 3.57Å; L71-Q89 VanDerWaalsContact CA-O 3.22Å; L71-Q89 WeakPolarHBondContact CA-O 3.42Å; L71-Q89 WeakPolarHBondContact CB-O 3.37Å; S72-Q89 PolarHBondContact N-O 2.85Å; S72-Q89 PolarHBondContact O-N 2.89Å; Q89-L91 HydrophobicContact CG-CD2 4.21Å; Q89-L107 PolarHBondContact NE2-O 2.85Å; Q89-E108 WeakPolarHBondContact CA-O 3.39Å; Q89-E108 WeakPolarHBondContact CG-O 3.33Å; Q89-R109 HydrophobicContact CB-CB 4.13Å; Q89-R109 HydrophobicContact CB-CG 4.28Å; Q89-R109 HydrophobicContact CG-CB 4.21Å
90N98.7Very high95.5Very high2 Ų249.6 Ų49.61%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-78.2125172.8-179.49.9000110.1Q70 S92 G95 V97 L104 G105 L107 E108Q70-N90 PolarHBondContact O-OD1 3Å; N90-S92 WeakPolarHBondContact OD1-CA 3.43Å; N90-S92 VanDerWaalsContact OD1-CB 3.29Å; N90-S92 WeakPolarHBondContact OD1-CB 3.02Å; N90-S92 PolarHBondContact OD1-N 3.09Å; N90-S92 PolarHBondContact OD1-O 3.19Å; N90-G95 PolarHBondContact ND2-O 2.86Å; N90-V97 HydrophobicContact CB-CB 4.04Å; N90-V97 HydrophobicContact CB-CG2 3.92Å; N90-V97 WeakPolarHBondContact OD1-CG2 3.41Å; N90-L104 HydrophobicContact CB-CB 4.02Å; N90-L104 PolarHBondContact ND2-O 3.04Å; N90-G105 VanDerWaalsContact CB-O 3.28Å; N90-G105 WeakPolarHBondContact CB-O 3.49Å; N90-G105 PolarHBondContact ND2-O 3.03Å; N90-L107 VanDerWaalsContact O-CA 3.31Å; N90-L107 WeakPolarHBondContact O-CA 3.46Å; N90-L107 PolarHBondContact O-N 2.73Å; N90-E108 PolarHBondContact N-O 2.93Å
91L98.5Very high95.6Very high27 Ų2745.9 Ų45.914%0.14125%0.248CC..  trans-107.4-3.3177.2-59.6-176.6000112.9R49 K69 Q70 Q89 L107R49-L91 HydrophobicContact CG-CD1 4.46Å; K69-L91 HydrophobicContact CB-CB 3.81Å; K69-L91 HydrophobicContact CB-CD1 3.99Å; K69-L91 HydrophobicContact CD-CD1 4.5Å; K69-L91 CarbonylContact O-C 3.54Å; Q70-L91 PolarHBondContact O-N 3.3Å; Q89-L91 HydrophobicContact CG-CD2 4.21Å; L91-L107 HydrophobicContact CD2-CD2 4.21Å
92S97.8Very high95.8Very high3 Ų352.2 Ų52.22%0.02127%0.272CS..  trans-85.4125179.1-174.30000110.8S67 Q70 N90 K94 G95S67-S92 WeakPolarHBondContact CB-OG 3.43Å; S67-S92 PolarHBondContact OG-OG 2.9Å; Q70-S92 PolarHBondContact O-N 2.82Å; N90-S92 WeakPolarHBondContact OD1-CA 3.43Å; N90-S92 VanDerWaalsContact OD1-CB 3.29Å; N90-S92 WeakPolarHBondContact OD1-CB 3.02Å; N90-S92 PolarHBondContact OD1-N 3.09Å; N90-S92 PolarHBondContact OD1-O 3.19Å; S92-K94 PolarHBondContact OG-N 3.17Å; S92-G95 WeakPolarHBondContact CB-O 3.36Å; S92-G95 PolarHBondContact OG-N 3.06Å; S92-G95 PolarHBondContact OG-O 3.16Å
93Q95.5Very high96.2Very high154 Ų15451.6 Ų51.672%0.7226%0.26SS*.SBendtrans-79.1-22170.5-68.41798.500112.6F106Q93-F106 HydrophobicContact CB-CD2 4.35Å; Q93-F106 HydrophobicContact CG-CD1 4Å; Q93-F106 HydrophobicContact CG-CD2 3.5Å; Q93-F106 VanDerWaalsContact CG-CD2 3.5Å; Q93-F106 HydrophobicContact CG-CE1 3.95Å; Q93-F106 HydrophobicContact CG-CE2 3.46Å; Q93-F106 VanDerWaalsContact CG-CE2 3.46Å; Q93-F106 HydrophobicContact CG-CG 3.78Å; Q93-F106 HydrophobicContact CG-CZ 3.7Å
94K90.2Very high96.3Very high205 Ų20550.3 Ų50.389%0.89125%0.253SS*.SBendtrans-97.9-34.1-172.1-65.6-173.1176.7-171.40113.4S92S92-K94 PolarHBondContact OG-N 3.17Å
95G86.6Confident96.4Very high26 Ų2650.9 Ų50.927%0.26826%0.261SS..SBendtrans-116.2133.6-172.500000110.6N90 S92N90-G95 PolarHBondContact ND2-O 2.86Å; S92-G95 WeakPolarHBondContact CB-O 3.36Å; S92-G95 PolarHBondContact OG-N 3.06Å; S92-G95 PolarHBondContact OG-O 3.16Å
96R91.4Very high96.4Very high167 Ų16754.3 Ų54.363%0.6327%0.274SS*.  trans-70.5145.9169.4-68.5160.2175.6-136.21.5109.3E103R96-E103 HydrophobicContact CB-CG 4.06Å; R96-E103 WeakPolarHBondContact CD-OE1 3.43Å; R96-E103 WeakPolarHBondContact CD-OE2 3.28Å; R96-E103 HydrophobicContact CG-CG 4.15Å; R96-E103 WeakPolarHBondContact CG-OE1 3.29Å; R96-E103 IonicContact CZ-OE1 3.09Å; R96-E103 IonicContact CZ-OE2 3.91Å; R96-E103 IonicContact NE-OE1 3.81Å; R96-E103 PolarHBondContact NE-OE1 3.02Å; R96-E103 VanDerWaalsContact NE-OE1 3.09Å; R96-E103 IonicContact NE-OE2 3.06Å; R96-E103 IonicContact NH1-OE1 2.73Å; R96-E103 PolarHBondContact NH1-OE1 2.87Å; R96-E103 IonicContact NH1-OE2 3.83Å; R96-E103 PolarHBondContact NH1-OE2 2.81Å; R96-E103 IonicContact NH2-OE1 3.59Å
97V98.1Very high96.4Very high0 Ų058.5 Ų58.50%030%0.296CS..EExtended strand (participates in β ladder)trans-111.7134168.5172.90000106.3N90 L104 I118 R119 F120N90-V97 HydrophobicContact CB-CB 4.04Å; N90-V97 HydrophobicContact CB-CG2 3.92Å; N90-V97 WeakPolarHBondContact OD1-CG2 3.41Å; V97-L104 PolarHBondContact N-O 3.2Å; V97-L104 PolarHBondContact O-N 2.97Å; V97-I118 HydrophobicContact CG1-CG2 3.76Å; V97-R119 CarbonylContact C-O 3.58Å; V97-R119 WeakPolarHBondContact CA-O 3.46Å; V97-F120 HydrophobicContact CG2-CB 4.19Å
98T97.8Very high96.4Very high32 Ų3263.1 Ų63.120%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-111.3146.2168.967.40000111F102 E103 I118 R119T98-F102 CarbonylContact C-O 3.46Å; T98-F102 WeakPolarHBondContact CA-O 3.27Å; T98-E103 HydrophobicContact CG2-CB 4.35Å; T98-E103 HydrophobicContact CG2-CG 4.47Å; T98-I118 CarbonylContact O-C 3.54Å; T98-I118 WeakPolarHBondContact O-CA 3.4Å; T98-R119 PolarHBondContact N-O 2.99Å; T98-R119 PolarHBondContact O-N 3.04Å; T98-R119 WeakPolarHBondContact OG1-CB 3.23Å
99V97.8Very high96.3Very high7 Ų769.7 Ų69.74%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-125.7111.7176.6-172.30000107V88 G101 F102 L104 L112 A116 I118V88-V99 HydrophobicContact CG1-CG1 4.23Å; V88-V99 HydrophobicContact CG1-CG2 3.53Å; V99-G101 PolarHBondContact O-N 3.31Å; V99-G101 VanDerWaalsContact O-N 3.09Å; V99-F102 PolarHBondContact N-O 2.93Å; V99-F102 WeakPolarHBondContact O-CB 3.15Å; V99-F102 PolarHBondContact O-N 3.23Å; V99-L104 HydrophobicContact CG2-CD1 3.62Å; V99-L104 HydrophobicContact CG2-CG 4.2Å; V99-L112 HydrophobicContact CG1-CD1 4.28Å; V99-A116 HydrophobicContact CG1-CB 4.44Å; V99-I118 HydrophobicContact CG1-CG1 4.4Å; V99-I118 HydrophobicContact CG2-CG1 4.31Å
100N96.1Very high96.3Very high33 Ų3369.6 Ų69.618%0.17635%0.347CS..THydrogen-bonded Turntrans5133.4-174.8-64.3-19.9000113.5A116 L117N100-A116 WeakPolarHBondContact OD1-CA 3.49Å; N100-L117 PolarHBondContact N-O 3.01Å; N100-L117 PolarHBondContact OD1-N 2.96Å
101G93.9Very high96.3Very high61 Ų6176 Ų7663%0.62938%0.377SS*.THydrogen-bonded Turntrans90.6-14.1-17800000115.1V99V99-G101 PolarHBondContact O-N 3.31Å; V99-G101 VanDerWaalsContact O-N 3.09Å
102F95.9Very high96.2Very high163 Ų16375.2 Ų75.272%0.71537%0.373SS*.EExtended strand (participates in β ladder)trans-82.2127.8174.7-61.9-82000110.7T98 V99T98-F102 CarbonylContact C-O 3.46Å; T98-F102 WeakPolarHBondContact CA-O 3.27Å; V99-F102 PolarHBondContact N-O 2.93Å; V99-F102 WeakPolarHBondContact O-CB 3.15Å; V99-F102 PolarHBondContact O-N 3.23Å
103E97.3Very high96.1Very high88 Ų8877.8 Ų77.841%0.41139%0.389SS..EExtended strand (participates in β ladder)trans-80.6141.7-178.4-168.8178.3123.900112.1R96 T98R96-E103 HydrophobicContact CB-CG 4.06Å; R96-E103 WeakPolarHBondContact CD-OE1 3.43Å; R96-E103 WeakPolarHBondContact CD-OE2 3.28Å; R96-E103 HydrophobicContact CG-CG 4.15Å; R96-E103 WeakPolarHBondContact CG-OE1 3.29Å; R96-E103 IonicContact CZ-OE1 3.09Å; R96-E103 IonicContact CZ-OE2 3.91Å; R96-E103 IonicContact NE-OE1 3.81Å; R96-E103 PolarHBondContact NE-OE1 3.02Å; R96-E103 VanDerWaalsContact NE-OE1 3.09Å; R96-E103 IonicContact NE-OE2 3.06Å; R96-E103 IonicContact NH1-OE1 2.73Å; R96-E103 PolarHBondContact NH1-OE1 2.87Å; R96-E103 IonicContact NH1-OE2 3.83Å; R96-E103 PolarHBondContact NH1-OE2 2.81Å; R96-E103 IonicContact NH2-OE1 3.59Å; T98-E103 HydrophobicContact CG2-CB 4.35Å; T98-E103 HydrophobicContact CG2-CG 4.47Å
104L98.2Very high96.2Very high13 Ų1372.1 Ų72.17%0.06837%0.373CS..EExtended strand (participates in β ladder)trans-117.6117169.5-59.7-178.7000109.6V88 N90 V97 V99 E108 A110V88-L104 HydrophobicContact CG1-CD1 4.19Å; N90-L104 HydrophobicContact CB-CB 4.02Å; N90-L104 PolarHBondContact ND2-O 3.04Å; V97-L104 PolarHBondContact N-O 3.2Å; V97-L104 PolarHBondContact O-N 2.97Å; V99-L104 HydrophobicContact CG2-CD1 3.62Å; V99-L104 HydrophobicContact CG2-CG 4.2Å; L104-E108 WeakPolarHBondContact CA-OE2 3.22Å; L104-E108 HydrophobicContact CB-CB 4.17Å; L104-E108 HydrophobicContact CD2-CB 4.18Å; L104-A110 HydrophobicContact CD1-CB 4.29Å; L104-A110 HydrophobicContact CD2-CB 3.98Å
105G98.1Very high96.5Very high19 Ų1966.6 Ų66.620%0.19635%0.349CS..  trans-70.4-178.2167.700000113N90 L107 E108N90-G105 VanDerWaalsContact CB-O 3.28Å; N90-G105 WeakPolarHBondContact CB-O 3.49Å; N90-G105 PolarHBondContact ND2-O 3.03Å; G105-L107 PolarHBondContact O-N 2.81Å; G105-E108 PolarHBondContact N-OE2 2.87Å; G105-E108 WeakPolarHBondContact O-CB 3.46Å; G105-E108 PolarHBondContact O-N 3.38Å; G105-E108 VanDerWaalsContact O-N 3.14Å
106F98.1Very high97Very high97 Ų9765.4 Ų65.443%0.42534%0.336SS..THydrogen-bonded Turntrans-61.4127.9-179.5176.1-120000111.3Q93 E108Q93-F106 HydrophobicContact CB-CD2 4.35Å; Q93-F106 HydrophobicContact CG-CD1 4Å; Q93-F106 HydrophobicContact CG-CD2 3.5Å; Q93-F106 VanDerWaalsContact CG-CD2 3.5Å; Q93-F106 HydrophobicContact CG-CE1 3.95Å; Q93-F106 HydrophobicContact CG-CE2 3.46Å; Q93-F106 VanDerWaalsContact CG-CE2 3.46Å; Q93-F106 HydrophobicContact CG-CG 3.78Å; Q93-F106 HydrophobicContact CG-CZ 3.7Å; F106-E108 PolarHBondContact O-N 2.93Å; F106-E108 VanDerWaalsContact O-N 3.17Å
107L98Very high97.4Very high89 Ų8957.7 Ų57.747%0.46631%0.307SS..THydrogen-bonded Turntrans65.2-0.2-175.7-55.3177.2000115.9Q89 N90 L91 G105Q89-L107 PolarHBondContact NE2-O 2.85Å; N90-L107 VanDerWaalsContact O-CA 3.31Å; N90-L107 WeakPolarHBondContact O-CA 3.46Å; N90-L107 PolarHBondContact O-N 2.73Å; L91-L107 HydrophobicContact CD2-CD2 4.21Å; G105-L107 PolarHBondContact O-N 2.81Å
108E98.4Very high97.4Very high106 Ų10657.7 Ų57.750%0.49531%0.307SS..  trans-68145.3171.3-65.4-176176.900110.6Q89 N90 L104 G105 F106Q89-E108 WeakPolarHBondContact CA-O 3.39Å; Q89-E108 WeakPolarHBondContact CG-O 3.33Å; N90-E108 PolarHBondContact N-O 2.93Å; L104-E108 WeakPolarHBondContact CA-OE2 3.22Å; L104-E108 HydrophobicContact CB-CB 4.17Å; L104-E108 HydrophobicContact CD2-CB 4.18Å; G105-E108 PolarHBondContact N-OE2 2.87Å; G105-E108 WeakPolarHBondContact O-CB 3.46Å; G105-E108 PolarHBondContact O-N 3.38Å; G105-E108 VanDerWaalsContact O-N 3.14Å; F106-E108 PolarHBondContact O-N 2.93Å; F106-E108 VanDerWaalsContact O-N 3.17Å
109R98.1Very high97.4Very high138 Ų13859.2 Ų59.252%0.52131%0.31SS..EExtended strand (participates in β ladder)trans-132.6142.7-173.9179-175.5-67.8176-0.5109.9V88 Q89V88-R109 CarbonylContact O-C 3.52Å; V88-R109 VanDerWaalsContact O-CA 3.23Å; V88-R109 WeakPolarHBondContact O-CA 3.15Å; V88-R109 WeakPolarHBondContact O-CG 3.43Å; Q89-R109 HydrophobicContact CB-CB 4.13Å; Q89-R109 HydrophobicContact CB-CG 4.28Å; Q89-R109 HydrophobicContact CG-CB 4.21Å
110A98.1Very high97.4Very high32 Ų3259.3 Ų59.326%0.26431%0.309SS..EExtended strand (participates in β ladder)trans-131.6156.2170.100000111.1S87 V88 L104S87-A110 CarbonylContact C-O 3.55Å; S87-A110 VanDerWaalsContact CA-O 3.27Å; S87-A110 WeakPolarHBondContact CA-O 3.19Å; S87-A110 WeakPolarHBondContact CB-O 3.15Å; V88-A110 PolarHBondContact N-O 2.74Å; V88-A110 PolarHBondContact O-N 3.47Å; L104-A110 HydrophobicContact CD1-CB 4.29Å; L104-A110 HydrophobicContact CD2-CB 3.98Å
111E97.7Very high97.3Very high136 Ų13661.7 Ų61.764%0.63634%0.342SS*.EExtended strand (participates in β ladder)trans-67.6140.1168.3-59-166.4145.300110.1Y76 P113Y76-E111 WeakPolarHBondContact OH-CG 3.26Å; Y76-E111 PolarHBondContact OH-OE1 3.28Å; E111-P113 WeakPolarHBondContact O-CD 3.37Å
112L97.3Very high97.4Very high10 Ų1063 Ų635%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-96.3114.5178.4-163.474.4000109L73 F86 V88 V99 A116 I118 I127L73-L112 HydrophobicContact CD2-CD2 4.4Å; F86-L112 HydrophobicContact CB-CB 4.18Å; F86-L112 HydrophobicContact CB-CD2 4.2Å; F86-L112 WeakPolarHBondContact O-CA 3.45Å; F86-L112 WeakPolarHBondContact O-CB 3.42Å; F86-L112 PolarHBondContact O-N 2.93Å; V88-L112 HydrophobicContact CB-CD1 4.32Å; V88-L112 HydrophobicContact CG1-CD1 3.98Å; V99-L112 HydrophobicContact CG1-CD1 4.28Å; L112-A116 HydrophobicContact CD1-CB 3.43Å; L112-A116 VanDerWaalsContact CD1-CB 3.43Å; L112-A116 HydrophobicContact CG-CB 4.02Å; L112-I118 HydrophobicContact CD1-CD1 3.86Å; L112-I118 HydrophobicContact CD1-CG1 4.48Å; L112-I127 HydrophobicContact CD2-CB 4.33Å; L112-I127 HydrophobicContact CD2-CD1 4.01Å; L112-I127 HydrophobicContact CD2-CG2 3.92Å
113P96.1Very high97.5Very high57 Ų5755.5 Ų55.537%0.3730%0.299SS..  trans-66.5168.4173.727.2-32.9000111.1E111 K115 A116E111-P113 WeakPolarHBondContact O-CD 3.37Å; P113-K115 WeakPolarHBondContact CG-O 3.23Å; P113-K115 PolarHBondContact O-N 3.14Å; P113-A116 HydrophobicContact CG-CB 4.02Å
114G96.5Very high97.6Very high36 Ų3652 Ų5237%0.37128%0.282SS..SBendtrans-58.5-21.4179.900000114.5R128 R129G114-R128 CarbonylContact O-C 3.54Å; G114-R128 WeakPolarHBondContact O-CA 3.41Å; G114-R129 PolarHBondContact O-N 3.42Å
115K97.6Very high97.6Very high89 Ų8951.4 Ų51.439%0.38728%0.279SS..EExtended strand (participates in β ladder)trans-136.8124.2168.5-174.8-179.5-179.7-172.70109.5P113 L126 I127 R128P113-K115 WeakPolarHBondContact CG-O 3.23Å; P113-K115 PolarHBondContact O-N 3.14Å; K115-L126 HydrophobicContact CG-CD1 4.04Å; K115-I127 WeakPolarHBondContact CA-O 3.49Å; K115-R128 HydrophobicContact CG-CG 4.22Å
116A97.6Very high97.6Very high1 Ų150.7 Ų50.71%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-140.6137.2-177.400000112.2V99 N100 L112 P113 L126 I127V99-A116 HydrophobicContact CG1-CB 4.44Å; N100-A116 WeakPolarHBondContact OD1-CA 3.49Å; L112-A116 HydrophobicContact CD1-CB 3.43Å; L112-A116 VanDerWaalsContact CD1-CB 3.43Å; L112-A116 HydrophobicContact CG-CB 4.02Å; P113-A116 HydrophobicContact CG-CB 4.02Å; A116-L126 WeakPolarHBondContact O-CD1 3.47Å; A116-I127 PolarHBondContact N-O 2.98Å; A116-I127 PolarHBondContact O-N 2.71Å
117L98.1Very high97.6Very high5 Ų546.1 Ų46.13%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-96.8116.1168.1177.562.6000109.3N100 R119 E124 P149 M155N100-L117 PolarHBondContact N-O 3.01Å; N100-L117 PolarHBondContact OD1-N 2.96Å; L117-R119 HydrophobicContact CG-CG 4.21Å; L117-E124 HydrophobicContact CD1-CB 4.26Å; L117-P149 HydrophobicContact CD1-CB 4.24Å; L117-P149 HydrophobicContact CD1-CG 3.73Å; L117-M155 HydrophobicContact CD2-CB 4.3Å
118I98.3Very high97.6Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-104.7135.6174.6-64.5171.6000109.6L71 V88 V97 T98 V99 L112 F120 M125 I127L71-I118 HydrophobicContact CD2-CG2 3.98Å; V88-I118 HydrophobicContact CB-CD1 4.33Å; V88-I118 HydrophobicContact CG2-CD1 3.92Å; V97-I118 HydrophobicContact CG1-CG2 3.76Å; T98-I118 CarbonylContact O-C 3.54Å; T98-I118 WeakPolarHBondContact O-CA 3.4Å; V99-I118 HydrophobicContact CG1-CG1 4.4Å; V99-I118 HydrophobicContact CG2-CG1 4.31Å; L112-I118 HydrophobicContact CD1-CD1 3.86Å; L112-I118 HydrophobicContact CD1-CG1 4.48Å; I118-F120 HydrophobicContact CG2-CD1 4.38Å; I118-M125 HydrophobicContact CB-CB 4.32Å; I118-M125 HydrophobicContact CB-CE 3.68Å; I118-M125 HydrophobicContact CD1-CE 3.5Å; I118-M125 HydrophobicContact CG1-CE 4.14Å; I118-M125 HydrophobicContact CG2-CE 3.75Å; I118-M125 PolarHBondContact N-O 3.11Å; I118-M125 PolarHBondContact O-N 3.27Å; I118-I127 HydrophobicContact CD1-CD1 3.74Å; I118-I127 HydrophobicContact CD1-CG1 4.4Å
119R98.1Very high97.6Very high64 Ų6442.7 Ų42.724%0.24223%0.227CC..EExtended strand (participates in β ladder)trans-128.9140.6176.8-48.4174.770.4136.411.4111.2V97 T98 L117 Y123 E124V97-R119 CarbonylContact C-O 3.58Å; V97-R119 WeakPolarHBondContact CA-O 3.46Å; T98-R119 PolarHBondContact N-O 2.99Å; T98-R119 PolarHBondContact O-N 3.04Å; T98-R119 WeakPolarHBondContact OG1-CB 3.23Å; L117-R119 HydrophobicContact CG-CG 4.21Å; R119-Y123 WeakPolarHBondContact CA-O 3.2Å; R119-E124 HydrophobicContact CG-CG 4.39Å; R119-E124 IonicContact CZ-OE1 3.97Å; R119-E124 VanDerWaalsContact CZ-OE1 3.26Å; R119-E124 IonicContact NE-OE1 2.81Å; R119-E124 IonicContact NH1-OE1 3.86Å; R119-E124 IonicContact NH2-OE1 2.99Å; R119-E124 PolarHBondContact NH2-OE1 2.82Å
120F97.8Very high97.6Very high8 Ų840 Ų404%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-154.8131.4169.558-89.4000109.7L50 L61 V66 Q70 L71 V97 I118 E122 Y123L50-F120 HydrophobicContact CD2-CE1 4.42Å; L50-F120 HydrophobicContact CD2-CZ 4.18Å; L61-F120 HydrophobicContact CD1-CE2 4.1Å; L61-F120 HydrophobicContact CD1-CZ 3.9Å; V66-F120 HydrophobicContact CG2-CE2 4.23Å; Q70-F120 HydrophobicContact CG-CD1 4.19Å; Q70-F120 HydrophobicContact CG-CD2 3.58Å; Q70-F120 HydrophobicContact CG-CE1 4.32Å; Q70-F120 HydrophobicContact CG-CE2 3.74Å; Q70-F120 HydrophobicContact CG-CG 3.83Å; Q70-F120 HydrophobicContact CG-CZ 4.12Å; L71-F120 HydrophobicContact CD2-CD1 4.05Å; L71-F120 HydrophobicContact CD2-CE1 3.9Å; V97-F120 HydrophobicContact CG2-CB 4.19Å; I118-F120 HydrophobicContact CG2-CD1 4.38Å; F120-E122 PolarHBondContact O-N 2.79Å; F120-Y123 AromaticContact CD2-CD2 4Å; F120-Y123 HydrophobicContact CD2-CD2 4Å; F120-Y123 HydrophobicContact CD2-CG 4.29Å; F120-Y123 HydrophobicContact CE2-CD1 4.41Å; F120-Y123 AromaticContact CE2-CD2 3.49Å; F120-Y123 HydrophobicContact CE2-CD2 3.49Å; F120-Y123 VanDerWaalsContact CE2-CD2 3.49Å; F120-Y123 HydrophobicContact CE2-CE2 4.26Å; F120-Y123 AromaticContact CE2-CG 3.6Å; F120-Y123 HydrophobicContact CE2-CG 3.6Å; F120-Y123 HydrophobicContact CZ-CD1 4.35Å; F120-Y123 HydrophobicContact CZ-CD2 4.18Å; F120-Y123 AromaticContact CZ-CG 3.81Å; F120-Y123 HydrophobicContact CZ-CG 3.81Å; F120-Y123 PolarHBondContact N-O 2.89Å; F120-Y123 WeakPolarHBondContact O-CB 3.49Å; F120-Y123 PolarHBondContact O-N 2.82Å
121G95.2Very high97.5Very high83 Ų8342.5 Ų42.586%0.85623%0.229SC*.THydrogen-bonded Turntrans54.5-125.8-170.200000111.1
122E95.8Very high97.4Very high88 Ų8836.6 Ų36.641%0.41121%0.205SC..THydrogen-bonded Turntrans-962.4176.2-60.3-176114.800113.4H22 P23 R65 F120H22-E122 IonicContact CE1-OE2 3.67Å; H22-E122 IonicContact NE2-OE2 2.72Å; P23-E122 WeakPolarHBondContact CD-O 3.41Å; R65-E122 IonicContact CZ-OE2 3.01Å; R65-E122 IonicContact NH1-OE2 3.84Å; R65-E122 PolarHBondContact NH1-OE2 2.96Å; R65-E122 IonicContact NH2-OE2 3.85Å; F120-E122 PolarHBondContact O-N 2.79Å
123Y98.1Very high97.2Very high7 Ų742.5 Ų42.53%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-81.3135.1178.4-70.1-94.4000110.7H22 Y31 L61 D63 V66 R119 F120H22-Y123 HydrophobicContact CB-CD1 4.19Å; H22-Y123 HydrophobicContact CB-CE1 4.12Å; H22-Y123 AromaticContact CD2-CD1 3.98Å; H22-Y123 AromaticContact CD2-CD2 3.71Å; H22-Y123 AromaticContact CD2-CE1 3.79Å; H22-Y123 AromaticContact CD2-CE2 3.49Å; H22-Y123 VanDerWaalsContact CD2-CE2 3.49Å; H22-Y123 WeakPolarHBondContact CD2-CE2 3.46Å; H22-Y123 AromaticContact CD2-CG 3.93Å; H22-Y123 AromaticContact CD2-CZ 3.53Å; H22-Y123 AromaticContact NE2-CE2 3.99Å; Y31-Y123 HydrophobicContact CE1-CD1 4.24Å; Y31-Y123 AromaticContact CE1-CE1 3.76Å; Y31-Y123 HydrophobicContact CE1-CE1 3.76Å; L61-Y123 HydrophobicContact CD1-CD1 4.34Å; L61-Y123 HydrophobicContact CD1-CE1 4.04Å; L61-Y123 HydrophobicContact CD2-CE1 4.35Å; D63-Y123 WeakPolarHBondContact CB-OH 3.34Å; D63-Y123 WeakPolarHBondContact OD2-CE2 3.44Å; D63-Y123 PolarHBondContact OD2-OH 2.89Å; V66-Y123 HydrophobicContact CG2-CD2 4.29Å; V66-Y123 HydrophobicContact CG2-CE2 3.6Å; R119-Y123 WeakPolarHBondContact CA-O 3.2Å; F120-Y123 AromaticContact CD2-CD2 4Å; F120-Y123 HydrophobicContact CD2-CD2 4Å; F120-Y123 HydrophobicContact CD2-CG 4.29Å; F120-Y123 HydrophobicContact CE2-CD1 4.41Å; F120-Y123 AromaticContact CE2-CD2 3.49Å; F120-Y123 HydrophobicContact CE2-CD2 3.49Å; F120-Y123 VanDerWaalsContact CE2-CD2 3.49Å; F120-Y123 HydrophobicContact CE2-CE2 4.26Å; F120-Y123 AromaticContact CE2-CG 3.6Å; F120-Y123 HydrophobicContact CE2-CG 3.6Å; F120-Y123 HydrophobicContact CZ-CD1 4.35Å; F120-Y123 HydrophobicContact CZ-CD2 4.18Å; F120-Y123 AromaticContact CZ-CG 3.81Å; F120-Y123 HydrophobicContact CZ-CG 3.81Å; F120-Y123 PolarHBondContact N-O 2.89Å; F120-Y123 WeakPolarHBondContact O-CB 3.49Å; F120-Y123 PolarHBondContact O-N 2.82Å
124E98.2Very high97Very high13 Ų1340.1 Ų40.16%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-114.2129.3161.6-62.6-169.3-16900108.6Y21 L117 R119 P148 P149 S150Y21-E124 HydrophobicContact CD1-CB 4.35Å; Y21-E124 HydrophobicContact CD1-CG 4.45Å; Y21-E124 PolarHBondContact N-O 2.86Å; Y21-E124 PolarHBondContact O-N 2.83Å; L117-E124 HydrophobicContact CD1-CB 4.26Å; R119-E124 HydrophobicContact CG-CG 4.39Å; R119-E124 IonicContact CZ-OE1 3.97Å; R119-E124 VanDerWaalsContact CZ-OE1 3.26Å; R119-E124 IonicContact NE-OE1 2.81Å; R119-E124 IonicContact NH1-OE1 3.86Å; R119-E124 IonicContact NH2-OE1 2.99Å; R119-E124 PolarHBondContact NH2-OE1 2.82Å; E124-P148 WeakPolarHBondContact OE2-CB 3.17Å; E124-P149 HydrophobicContact CB-CG 3.7Å; E124-P149 WeakPolarHBondContact OE2-CD 3.35Å; E124-P149 WeakPolarHBondContact OE2-CG 3.38Å; E124-S150 VanDerWaalsContact CD-OG 3.29Å; E124-S150 PolarHBondContact OE1-OG 3.23Å; E124-S150 WeakPolarHBondContact OE2-CB 3.46Å; E124-S150 PolarHBondContact OE2-N 3.21Å; E124-S150 PolarHBondContact OE2-OG 3.2Å
125M98Very high96.8Very high1 Ų144.6 Ų44.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-128.5110.1-177.2-176.7177.66700108.9I18 Q19 L20 L50 L71 I118 I127I18-M125 HydrophobicContact CG2-CG 3.48Å; I18-M125 VanDerWaalsContact CG2-CG 3.48Å; I18-M125 HydrophobicContact CG2-SD 3.58Å; I18-M125 VanDerWaalsContact CG2-SD 3.58Å; Q19-M125 WeakPolarHBondContact O-CA 3.19Å; L20-M125 HydrophobicContact CD2-CB 3.9Å; L20-M125 HydrophobicContact CD2-CG 3.74Å; L20-M125 HydrophobicContact CD2-SD 4.12Å; L50-M125 HydrophobicContact CD2-SD 4.01Å; L71-M125 HydrophobicContact CD1-CE 4.38Å; L71-M125 HydrophobicContact CD2-CE 3.73Å; I118-M125 HydrophobicContact CB-CB 4.32Å; I118-M125 HydrophobicContact CB-CE 3.68Å; I118-M125 HydrophobicContact CD1-CE 3.5Å; I118-M125 HydrophobicContact CG1-CE 4.14Å; I118-M125 HydrophobicContact CG2-CE 3.75Å; I118-M125 PolarHBondContact N-O 3.11Å; I118-M125 PolarHBondContact O-N 3.27Å; M125-I127 HydrophobicContact CE-CD1 3.77Å; M125-I127 HydrophobicContact CE-CG1 4.22Å; M125-I127 HydrophobicContact CG-CG1 4.23Å; M125-I127 HydrophobicContact SD-CD1 4.44Å
126L98.3Very high96.6Very high4 Ų442.5 Ų42.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-95.4115.6176.6179.358.6000109.2Q19 K115 A116 R128 P149Q19-L126 HydrophobicContact CB-CB 4.33Å; Q19-L126 PolarHBondContact N-O 3.22Å; Q19-L126 PolarHBondContact O-N 3.46Å; K115-L126 HydrophobicContact CG-CD1 4.04Å; A116-L126 WeakPolarHBondContact O-CD1 3.47Å; L126-R128 VanDerWaalsContact CD2-CZ 3.49Å; L126-R128 VanDerWaalsContact CD2-NH1 3.27Å; L126-R128 VanDerWaalsContact CD2-NH2 3.32Å; L126-P149 HydrophobicContact CB-CB 3.97Å; L126-P149 HydrophobicContact CB-CG 4.21Å; L126-P149 HydrophobicContact CD2-CB 3.94Å
127I98.3Very high96.6Very high1 Ų143 Ų431%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-100.9130.6175.4-55.3-171.1000109.2L16 Q17 I18 L73 L112 K115 A116 I118 M125L16-I127 HydrophobicContact CD2-CG2 4.05Å; Q17-I127 WeakPolarHBondContact O-CA 3.46Å; I18-I127 HydrophobicContact CG1-CD1 4.47Å; I18-I127 HydrophobicContact CG1-CG1 4.26Å; L73-I127 HydrophobicContact CD1-CD1 3.71Å; L73-I127 HydrophobicContact CD2-CD1 4.13Å; L112-I127 HydrophobicContact CD2-CB 4.33Å; L112-I127 HydrophobicContact CD2-CD1 4.01Å; L112-I127 HydrophobicContact CD2-CG2 3.92Å; K115-I127 WeakPolarHBondContact CA-O 3.49Å; A116-I127 PolarHBondContact N-O 2.98Å; A116-I127 PolarHBondContact O-N 2.71Å; I118-I127 HydrophobicContact CD1-CD1 3.74Å; I118-I127 HydrophobicContact CD1-CG1 4.4Å; M125-I127 HydrophobicContact CE-CD1 3.77Å; M125-I127 HydrophobicContact CE-CG1 4.22Å; M125-I127 HydrophobicContact CG-CG1 4.23Å; M125-I127 HydrophobicContact SD-CD1 4.44Å
128R98.3Very high96.6Very high73 Ų7342.8 Ų42.828%0.27523%0.232SC..EExtended strand (participates in β ladder)trans-118.8134.6165.5-64.9178.4-177.382.6-5.9108.9Q17 G114 K115 L126Q17-R128 HydrophobicContact CB-CB 4.3Å; Q17-R128 PolarHBondContact N-O 2.82Å; Q17-R128 PolarHBondContact O-N 3.46Å; G114-R128 CarbonylContact O-C 3.54Å; G114-R128 WeakPolarHBondContact O-CA 3.41Å; K115-R128 HydrophobicContact CG-CG 4.22Å; L126-R128 VanDerWaalsContact CD2-CZ 3.49Å; L126-R128 VanDerWaalsContact CD2-NH1 3.27Å; L126-R128 VanDerWaalsContact CD2-NH2 3.32Å
129R97.9Very high96.6Very high50 Ų5044.5 Ų44.519%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-100.3123.3174.8-172.7-178.776.2-155.28.8109.6T14 C15 L16 D83 M84 G114 N131T14-R129 HydrophobicContact CG2-CG 3.97Å; C15-R129 WeakPolarHBondContact O-CA 3.16Å; L16-R129 HydrophobicContact CD2-CB 4.14Å; L16-R129 HydrophobicContact CD2-CG 4.12Å; D83-R129 IonicContact OD2-NH2 3.38Å; M84-R129 WeakPolarHBondContact O-CD 3.29Å; G114-R129 PolarHBondContact O-N 3.42Å; R129-N131 PolarHBondContact NE-OD1 3.29Å; R129-N131 PolarHBondContact NH2-OD1 3.14Å
130E97.7Very high96.6Very high81 Ų8141.5 Ų41.538%0.37923%0.229SC..EExtended strand (participates in β ladder)trans-98.8120.4165.5-59.8-176.3158.600107.7T14 C15 Q17T14-E130 CarbonylContact C-O 3.55Å; T14-E130 WeakPolarHBondContact CA-O 3.47Å; T14-E130 WeakPolarHBondContact CG2-O 3.22Å; C15-E130 HydrophobicContact CB-CB 4.24Å; C15-E130 PolarHBondContact N-O 2.99Å; C15-E130 PolarHBondContact O-N 2.87Å; Q17-E130 VanDerWaalsContact NE2-CD 3.25Å; Q17-E130 PolarHBondContact NE2-OE1 2.83Å
131N96.6Very high96.6Very high85 Ų8543.3 Ų43.346%0.45524%0.238SC..PPolyproline II helixtrans-72.2145.2-177-71.6-13.9000111D83 R129D83-N131 VanDerWaalsContact CG-ND2 3.27Å; D83-N131 PolarHBondContact OD1-ND2 3.24Å; D83-N131 PolarHBondContact OD2-ND2 2.83Å; R129-N131 PolarHBondContact NE-OD1 3.29Å; R129-N131 PolarHBondContact NH2-OD1 3.14Å
132G94.9Very high96.7Very high12 Ų1239.5 Ų39.512%0.12420%0.198CC..  trans-142.9173.9171.400000111.9L12 T14L12-G132 CarbonylContact O-C 3.59Å; L12-G132 WeakPolarHBondContact O-CA 3.48Å; T14-G132 PolarHBondContact OG1-N 3.27Å; T14-G132 VanDerWaalsContact OG1-N 3.09Å; T14-G132 PolarHBondContact OG1-O 3.17Å
133E93.9Very high96.8Very high134 Ų13435.7 Ų35.763%0.62618%0.182SC*.SBendtrans-91.2-27-172.6-62.4174.1-168.300112.6L12 K135L12-E133 PolarHBondContact O-N 3.29Å; E133-K135 PolarHBondContact O-N 2.93Å
134A92.5Very high96.6Very high7 Ų739.9 Ų39.96%0.05820%0.203CC..  trans-59.1130.5-177.700000111.7E11 L12 M13E11-A134 HydrophobicContact CB-CB 4.22Å; E11-A134 WeakPolarHBondContact OE2-CA 3.2Å; L12-A134 PolarHBondContact O-N 2.9Å; M13-A134 HydrophobicContact CB-CB 4.42Å; M13-A134 HydrophobicContact CG-CB 3.89Å
135K91.9Very high96.5Very high131 Ų13140.9 Ų40.957%0.5721%0.208SC*.SBendtrans-96.3-34.3-171.5-55.3-175171.6172.90113.6E133E133-K135 PolarHBondContact O-N 2.93Å
136G94Very high96.3Very high44 Ų4445.2 Ų45.245%0.45424%0.244SC..SBendtrans-93.5-14.7-172.800000114.3Q43 A44Q43-G136 PolarHBondContact OE1-O 3.37Å; A44-G136 WeakPolarHBondContact CB-O 3.44Å; A44-G136 PolarHBondContact N-O 3.22Å
137S96.5Very high96.1Very high12 Ų1248.1 Ų48.18%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-148157.3-175.459.30000112.4K41 L42K41-S137 WeakPolarHBondContact CE-OG 3.25Å; L42-S137 CarbonylContact O-C 3.6Å; L42-S137 WeakPolarHBondContact O-CA 3.47Å; L42-S137 VanDerWaalsContact O-CB 3.22Å; L42-S137 WeakPolarHBondContact O-CB 3.28Å
138F97.8Very high96Very high1 Ų149.4 Ų49.40%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-142.1169.9175.467-80.7000109.7T14 L16 K41 L42 A44 V48 A75 M84 F86 V140T14-F138 CarbonylContact O-C 3.44Å; T14-F138 VanDerWaalsContact O-CA 3.28Å; T14-F138 WeakPolarHBondContact O-CA 3.47Å; T14-F138 VanDerWaalsContact O-CB 3.24Å; T14-F138 WeakPolarHBondContact O-CB 3.31Å; L16-F138 HydrophobicContact CD1-CE2 4.24Å; K41-F138 CarbonylContact C-O 3.58Å; K41-F138 WeakPolarHBondContact CA-O 3.43Å; L42-F138 HydrophobicContact CB-CD1 4.49Å; L42-F138 HydrophobicContact CB-CE1 3.94Å; L42-F138 HydrophobicContact CB-CE2 4.26Å; L42-F138 HydrophobicContact CB-CZ 3.8Å; L42-F138 HydrophobicContact CD1-CE2 4.07Å; L42-F138 HydrophobicContact CD1-CZ 3.97Å; L42-F138 PolarHBondContact N-O 3.49Å; L42-F138 PolarHBondContact O-N 2.73Å; A44-F138 HydrophobicContact CB-CD1 4.35Å; V48-F138 HydrophobicContact CG2-CE2 3.7Å; V48-F138 HydrophobicContact CG2-CZ 3.41Å; V48-F138 VanDerWaalsContact CG2-CZ 3.41Å; A75-F138 HydrophobicContact CB-CE1 4.42Å; M84-F138 HydrophobicContact CE-CB 4.37Å; M84-F138 HydrophobicContact SD-CB 3.72Å; M84-F138 HydrophobicContact SD-CD1 3.91Å; M84-F138 HydrophobicContact SD-CG 4.04Å; F86-F138 HydrophobicContact CE1-CD1 4.32Å; F86-F138 AromaticContact CE1-CD2 3.9Å; F86-F138 HydrophobicContact CE1-CD2 3.9Å; F86-F138 HydrophobicContact CE1-CE1 4.28Å; F86-F138 AromaticContact CE1-CE2 3.83Å; F86-F138 HydrophobicContact CE1-CE2 3.83Å; F86-F138 HydrophobicContact CE1-CG 4.15Å; F86-F138 HydrophobicContact CE1-CZ 4.05Å; F86-F138 HydrophobicContact CZ-CB 4.23Å; F86-F138 HydrophobicContact CZ-CD1 4.32Å; F86-F138 AromaticContact CZ-CD2 3.76Å; F86-F138 HydrophobicContact CZ-CD2 3.76Å; F86-F138 HydrophobicContact CZ-CE2 4.19Å; F86-F138 AromaticContact CZ-CG 3.84Å; F86-F138 HydrophobicContact CZ-CG 3.84Å; F138-V140 HydrophobicContact CD2-CG2 4.14Å; F138-V140 HydrophobicContact CE2-CG2 3.64Å
139E98Very high95.7Very high36 Ų3646 Ų4617%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-110.8151.3178.1-61.7-174.3134.400111.3M13 T14 C15 L16 R39 H40M13-E139 HydrophobicContact CB-CG 3.92Å; M13-E139 HydrophobicContact SD-CG 3.95Å; T14-E139 PolarHBondContact O-N 2.69Å; C15-E139 CarbonylContact C-O 3.58Å; C15-E139 WeakPolarHBondContact CA-O 3.5Å; C15-E139 HydrophobicContact CB-CB 4.23Å; L16-E139 PolarHBondContact N-O 2.98Å; R39-E139 WeakPolarHBondContact CD-OE2 3.42Å; R39-E139 IonicContact CZ-OE2 2.81Å; R39-E139 IonicContact NE-OE2 3.98Å; R39-E139 IonicContact NH1-OE2 3.52Å; R39-E139 PolarHBondContact NH1-OE2 3.22Å; H40-E139 CarbonylContact O-C 3.54Å; H40-E139 WeakPolarHBondContact O-CA 3.38Å
140V98.3Very high95.4Very high0 Ų044.1 Ų44.10%025%0.252CS..EExtended strand (participates in β ladder)trans-124132.1167.3179.80000108.7L16 I18 H40 L42 V48 F59 F138 F142L16-V140 HydrophobicContact CB-CG2 4.37Å; L16-V140 WeakPolarHBondContact O-CA 3.39Å; I18-V140 HydrophobicContact CD1-CG1 3.64Å; I18-V140 HydrophobicContact CG1-CG1 4.16Å; H40-V140 PolarHBondContact N-O 2.87Å; H40-V140 PolarHBondContact O-N 2.76Å; L42-V140 HydrophobicContact CD1-CG2 3.72Å; V48-V140 HydrophobicContact CG2-CG2 4.39Å; F59-V140 HydrophobicContact CE2-CB 4.13Å; F59-V140 HydrophobicContact CE2-CG1 3.95Å; F59-V140 HydrophobicContact CE2-CG2 4.23Å; F59-V140 HydrophobicContact CZ-CB 4.16Å; F59-V140 HydrophobicContact CZ-CG1 4.22Å; F138-V140 HydrophobicContact CD2-CG2 4.14Å; F138-V140 HydrophobicContact CE2-CG2 3.64Å; V140-F142 HydrophobicContact CG1-CD2 4.07Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CZ 3.82Å
141E98.2Very high94.9Very high47 Ų4748.8 Ų48.822%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-124.5124.8175.9-177.8174.6-125.300109.5L16 I18 R39L16-E141 PolarHBondContact O-N 3.41Å; I18-E141 PolarHBondContact N-O 3.27Å; R39-E141 HydrophobicContact CG-CB 4.32Å; R39-E141 HydrophobicContact CG-CG 4.49Å
142F98.2Very high94Very high3 Ų350.4 Ų50.41%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-99.5136.3177.8-71.6-81.7000111.9I18 L20 L34 L36 E37 F59 V140I18-F142 HydrophobicContact CB-CD1 3.84Å; I18-F142 HydrophobicContact CB-CE1 3.89Å; I18-F142 HydrophobicContact CD1-CE1 3.91Å; I18-F142 HydrophobicContact CD1-CZ 4.07Å; I18-F142 HydrophobicContact CG1-CE1 4.46Å; I18-F142 HydrophobicContact CG2-CD1 3.89Å; I18-F142 HydrophobicContact CG2-CE1 3.74Å; I18-F142 WeakPolarHBondContact O-CA 3.38Å; L20-F142 HydrophobicContact CD1-CD1 3.85Å; L20-F142 HydrophobicContact CD1-CE1 4.28Å; L34-F142 HydrophobicContact CD1-CD1 4.15Å; L34-F142 HydrophobicContact CD1-CE1 4.45Å; L34-F142 HydrophobicContact CD2-CE1 4.47Å; L34-F142 HydrophobicContact CD2-CZ 4.42Å; L36-F142 HydrophobicContact CD2-CB 3.84Å; E37-F142 PolarHBondContact N-O 2.9Å; F59-F142 HydrophobicContact CB-CE2 4.27Å; F59-F142 HydrophobicContact CB-CZ 3.96Å; F59-F142 HydrophobicContact CD1-CD2 4.47Å; F59-F142 AromaticContact CD1-CE2 3.53Å; F59-F142 HydrophobicContact CD1-CE2 3.53Å; F59-F142 HydrophobicContact CD1-CZ 4.08Å; F59-F142 AromaticContact CD2-CE2 3.59Å; F59-F142 HydrophobicContact CD2-CE2 3.59Å; F59-F142 AromaticContact CD2-CZ 3.48Å; F59-F142 HydrophobicContact CD2-CZ 3.48Å; F59-F142 VanDerWaalsContact CD2-CZ 3.48Å; F59-F142 HydrophobicContact CE1-CD2 4.46Å; F59-F142 AromaticContact CE1-CE2 3.63Å; F59-F142 HydrophobicContact CE1-CE2 3.63Å; F59-F142 HydrophobicContact CE1-CZ 4.48Å; F59-F142 AromaticContact CE2-CE2 3.67Å; F59-F142 HydrophobicContact CE2-CE2 3.67Å; F59-F142 AromaticContact CE2-CZ 3.92Å; F59-F142 HydrophobicContact CE2-CZ 3.92Å; F59-F142 AromaticContact CG-CE2 3.51Å; F59-F142 HydrophobicContact CG-CE2 3.51Å; F59-F142 AromaticContact CG-CZ 3.56Å; F59-F142 HydrophobicContact CG-CZ 3.56Å; F59-F142 AromaticContact CZ-CE2 3.7Å; F59-F142 HydrophobicContact CZ-CE2 3.7Å; F59-F142 HydrophobicContact CZ-CZ 4.41Å; V140-F142 HydrophobicContact CG1-CD2 4.07Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CZ 3.82Å
143G96.4Very high93.2Very high8 Ų853.2 Ų53.28%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-137.2172.3167.800000112.3I18 Q19 L20I18-G143 PolarHBondContact O-N 2.94Å; Q19-G143 VanDerWaalsContact OE1-C 3.28Å; L20-G143 PolarHBondContact N-O 2.8Å
144M95.7Very high91.9Very high94 Ų9450 Ų5046%0.46329%0.285SS..EExtended strand (participates in β ladder)trans-119.6137.9178.5-63-179-6500110.2L20 Y31 L36L20-M144 CarbonylContact O-C 3.59Å; L20-M144 WeakPolarHBondContact O-CA 3.45Å; Y31-M144 HydrophobicContact CD2-CG 3.89Å; Y31-M144 HydrophobicContact CD2-SD 3.44Å; Y31-M144 WeakPolarHBondContact CD2-SD 3.18Å; Y31-M144 HydrophobicContact CE2-CG 4.16Å; Y31-M144 HydrophobicContact CE2-SD 4.06Å; Y31-M144 HydrophobicContact CG-SD 4.33Å; L36-M144 HydrophobicContact CD1-CE 3.8Å; L36-M144 HydrophobicContact CD1-CG 4.37Å; L36-M144 HydrophobicContact CD1-SD 3.93Å; L36-M144 HydrophobicContact CD2-CG 4.39Å
145L95.5Very high90.4Very high34 Ų3453.6 Ų53.618%0.17830%0.302CS..  trans-99.6137.9171.4-62.4172.5000109.5Q19 L20 Y21 Q25 V147 P149Q19-L145 HydrophobicContact CB-CD1 3.89Å; Q19-L145 HydrophobicContact CB-CD2 4.27Å; Q19-L145 HydrophobicContact CB-CG 3.9Å; L20-L145 PolarHBondContact O-N 2.89Å; Y21-L145 WeakPolarHBondContact CD2-O 3.13Å; Q25-L145 PolarHBondContact NE2-O 2.72Å; L145-V147 VanDerWaalsContact C-N 3.25Å; L145-V147 WeakPolarHBondContact CB-O 3.48Å; L145-V147 PolarHBondContact O-N 3.09Å; L145-P149 HydrophobicContact CD1-CB 3.77Å; L145-P149 HydrophobicContact CD1-CG 4.01Å
146A93.3Very high88.8Confident92 Ų9251.8 Ų51.876%0.7630%0.302SS*.SBendtrans-72.3-22.6173.800000112.6
147V94.1Very high87Confident66 Ų6654 Ų5440%0.431%0.306SS..SBendtrans-126.1154.1-176.3-63.30000111.1Y21 L145Y21-V147 VanDerWaalsContact CD2-C 3.44Å; L145-V147 VanDerWaalsContact C-N 3.25Å; L145-V147 WeakPolarHBondContact CB-O 3.48Å; L145-V147 PolarHBondContact O-N 3.09Å
148P95.5Very high84.6Confident27 Ų2759.4 Ų59.418%0.17534%0.341CS..  trans-63.6126.4178.1-9.317.1000111.6Y21 E124 S150 R151Y21-P148 HydrophobicContact CD1-CB 3.84Å; Y21-P148 HydrophobicContact CD1-CG 4.14Å; Y21-P148 HydrophobicContact CE1-CB 3.71Å; Y21-P148 HydrophobicContact CE1-CG 3.52Å; Y21-P148 HydrophobicContact CE2-CG 4.21Å; Y21-P148 HydrophobicContact CG-CB 4.41Å; E124-P148 WeakPolarHBondContact OE2-CB 3.17Å; P148-S150 PolarHBondContact O-N 2.92Å; P148-R151 PolarHBondContact O-N 3.5Å
149P93.9Very high82.2Confident3 Ų366 Ų662%0.01938%0.376CS..G310 helixtrans-64-20.8178.624.4-34.4000113.7L117 E124 L126 L145 R151 E152 M153L117-P149 HydrophobicContact CD1-CB 4.24Å; L117-P149 HydrophobicContact CD1-CG 3.73Å; E124-P149 HydrophobicContact CB-CG 3.7Å; E124-P149 WeakPolarHBondContact OE2-CD 3.35Å; E124-P149 WeakPolarHBondContact OE2-CG 3.38Å; L126-P149 HydrophobicContact CB-CB 3.97Å; L126-P149 HydrophobicContact CB-CG 4.21Å; L126-P149 HydrophobicContact CD2-CB 3.94Å; L145-P149 HydrophobicContact CD1-CB 3.77Å; L145-P149 HydrophobicContact CD1-CG 4.01Å; P149-R151 PolarHBondContact O-N 3.46Å; P149-E152 PolarHBondContact O-N 3.18Å; P149-E152 VanDerWaalsContact O-N 3.11Å; P149-M153 PolarHBondContact O-N 3.46Å
150S91.5Very high80.1Confident9 Ų972.6 Ų72.66%0.06341%0.409CS..G310 helixtrans-58.6-26.3174.755.90000114E124 P148 E152 M153 G154 M155E124-S150 VanDerWaalsContact CD-OG 3.29Å; E124-S150 PolarHBondContact OE1-OG 3.23Å; E124-S150 WeakPolarHBondContact OE2-CB 3.46Å; E124-S150 PolarHBondContact OE2-N 3.21Å; E124-S150 PolarHBondContact OE2-OG 3.2Å; P148-S150 PolarHBondContact O-N 2.92Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 3.49Å; S150-M153 PolarHBondContact O-N 3.44Å; S150-G154 PolarHBondContact O-N 3.31Å; S150-M155 PolarHBondContact O-N 3.22Å
151R86.1Confident77.8Confident180 Ų18078 Ų7868%0.67944%0.442SS*.G310 helixtrans-64.2-37.1175.3-62.4-175.476.21744.1112.2P148 P149P148-R151 PolarHBondContact O-N 3.5Å; P149-R151 PolarHBondContact O-N 3.46Å
152E78.2Confident75.6Confident119 Ų11980.8 Ų80.856%0.55646%0.464SS*.THydrogen-bonded Turntrans-80.3-31.2-179.4-61.3178.7-178.600112.1P149 S150 G154P149-E152 PolarHBondContact O-N 3.18Å; P149-E152 VanDerWaalsContact O-N 3.11Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 3.49Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 2.81Å
153M76.9Confident73.6Confident70 Ų7086.6 Ų86.635%0.34550%0.499SS..THydrogen-bonded Turntrans-83.6-2.5-175.6-162.961.1-167.700113.4P149 S150 M155P149-M153 PolarHBondContact O-N 3.46Å; S150-M153 PolarHBondContact O-N 3.44Å; M153-M155 HydrophobicContact CB-CB 4.42Å; M153-M155 HydrophobicContact CB-CG 4.14Å; M153-M155 HydrophobicContact CG-CG 3.77Å; M153-M155 PolarHBondContact O-N 3.09Å
154G66.4Low71.7Confident68 Ų6893.7 Ų93.770%0.70153%0.532SS*.THydrogen-bonded Turntrans66.714.5-174.600000113.8S150 E152 V156S150-G154 PolarHBondContact O-N 3.31Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 2.81Å; G154-V156 VanDerWaalsContact C-N 3.33Å; G154-V156 PolarHBondContact O-N 2.78Å
155M62.5Low69.6Low81 Ų8196.7 Ų96.740%0.39955%0.55SS.*  trans-100.232.5-176.2-66.2-69.1-163.700111.5L117 S150 M153 V157L117-M155 HydrophobicContact CD2-CB 4.3Å; S150-M155 PolarHBondContact O-N 3.22Å; M153-M155 HydrophobicContact CB-CB 4.42Å; M153-M155 HydrophobicContact CB-CG 4.14Å; M153-M155 HydrophobicContact CG-CG 3.77Å; M153-M155 PolarHBondContact O-N 3.09Å; M155-V157 PolarHBondContact O-N 2.76Å
156V56.8Low67.5Low94 Ų94100.1 Ų100.157%0.5757%0.573SS**  trans-64117.9177177.90000107.7G154G154-V156 VanDerWaalsContact C-N 3.33Å; G154-V156 PolarHBondContact O-N 2.78Å
157V56.5Low65.3Low90 Ų9099 Ų9955%0.54557%0.57SS.*  trans-62.6128.1170.1-1730000106.6M155 N159M155-V157 PolarHBondContact O-N 2.76Å; V157-N159 PolarHBondContact O-N 3.35Å
158P45.8Very low62.9Low125 Ų125100.5 Ų100.581%0.81258%0.583SS**  trans-72.585.617829.5-31.3000107.9
159N49.4Very low60.3Low141 Ų141106.7 Ų106.775%0.75462%0.615SS**  trans-121.134.6166.2-154.124.5000110.7V157V157-N159 PolarHBondContact O-N 3.35Å
160M52.3Low57.8Low173 Ų173114.6 Ų114.685%0.85266%0.656SS**  trans-93.8100.7154.8-64.5-144103.900106.3P162M160-P162 WeakPolarHBondContact O-CD 3.32Å
161V50.2Low55.1Low115 Ų115119 Ų11970%0.69769%0.687SS**  trans-56.6118.3148.7-1780000104.1V163V161-V163 PolarHBondContact O-N 3.36Å
162P51.5Low52.7Low104 Ų104116.4 Ų116.468%0.67569%0.692SS**  trans-55.9121.1173.421.8-29.6000106.6M160 M164M160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-M164 VanDerWaalsContact C-N 3.26Å; P162-M164 PolarHBondContact O-N 2.73Å
163V57.5Low50.7Low125 Ų125118.2 Ų118.276%0.75871%0.705SS**  trans-65.199.6167.8178.40000104.3V161 D165V161-V163 PolarHBondContact O-N 3.36Å; V163-D165 PolarHBondContact O-N 3.2Å
164M56.7Low49.1Very low158 Ų158118.4 Ų118.478%0.77872%0.724SS**  trans-62118160.9-86.7-176.7177.600105.5P162 T166P162-M164 VanDerWaalsContact C-N 3.26Å; P162-M164 PolarHBondContact O-N 2.73Å; M164-T166 PolarHBondContact O-N 3.03Å; M164-T166 PolarHBondContact O-OG1 2.89Å
165D51.7Low47.7Very low156 Ų156123.3 Ų123.383%0.83473%0.733SS**  trans-61.880.3163.7-70.6-36.7000107.7V163 G167V163-D165 PolarHBondContact O-N 3.2Å; D165-G167 PolarHBondContact O-N 3.22Å
166T49.7Very low46.6Very low106 Ų106125 Ų12565%0.6575%0.75SS**  trans-78.886.3175.4-44.60000105.9M164 S168M164-T166 PolarHBondContact O-N 3.03Å; M164-T166 PolarHBondContact O-OG1 2.89Å; T166-S168 VanDerWaalsContact C-N 3.31Å; T166-S168 PolarHBondContact O-N 2.71Å; T166-S168 PolarHBondContact O-OG 3.33Å
167G48.9Very low46.4Very low68 Ų68126.3 Ų126.370%0.70176%0.76SS**  trans-54.299.5163.300000108.3D165 D169D165-G167 PolarHBondContact O-N 3.22Å; G167-D169 PolarHBondContact O-N 3.2Å
168S43.3Very low45.5Very low98 Ų98129.2 Ų129.269%0.68577%0.772SS**  trans-88.182.6179-63.30000108.3T166 L170T166-S168 VanDerWaalsContact C-N 3.31Å; T166-S168 PolarHBondContact O-N 2.71Å; T166-S168 PolarHBondContact O-OG 3.33Å; S168-L170 PolarHBondContact O-N 2.87Å
169D40Very low45Very low158 Ų158130.8 Ų130.885%0.84577%0.77SS**  trans-84.895.6165.8-69.2-28.4000108.7G167 S171G167-D169 PolarHBondContact O-N 3.2Å; D169-S171 PolarHBondContact O-N 3.29Å
170L41.3Very low44.7Very low169 Ų169130 Ų13089%0.88578%0.776SS**  trans-74.595.3163.5-83.1157.2000108.9S168S168-L170 PolarHBondContact O-N 2.87Å
171S35.9Very low44.3Very low102 Ų102130.2 Ų130.271%0.71378%0.775SS**  trans-170.4106.9147.253.30000113.2D169D169-S171 PolarHBondContact O-N 3.29Å
172T34.8Very low44.5Very low125 Ų125127.4 Ų127.477%0.76777%0.77SS**  trans38.7122.1131.2-42.90000120.9
173N36.2Very low44.2Very low157 Ų157129 Ų12984%0.8478%0.78SS**  trans73.9103.8151.7-74.73.8000121.2
174G43.1Very low43.6Very low73 Ų73130.6 Ų130.675%0.75378%0.781SS**  95.2129.5127.800000118.5
175I38.4Very low43.4Very low172 Ų172132.2 Ų132.288%0.88279%0.787SS**  trans104.7133.7162.2-54-172.7000115.6
176P39.3Very low43.8Very low116 Ų116133 Ų13375%0.75379%0.788SS**  trans-90.7172.5-158.637.9-32.2000114.4
177P51.4Low44.1Very low121 Ų121135.4 Ų135.479%0.78680%0.796SS**  trans-95147.2-154.936.6-31.2000113.2
178L37.4Very low44.7Very low151 Ų151140.8 Ų140.879%0.79180%0.803SS**  trans-163.9123.8154.2-146.841000113.9
179M37Very low45.3Very low158 Ų158141.6 Ų141.678%0.77880%0.804SS**  trans77.687.4153.8-55.2-90.8145.100117.6Q181M179-Q181 PolarHBondContact O-N 3.48Å
180S42.8Very low45.8Very low126 Ų126141.2 Ų141.288%0.88180%0.8SS**  trans-76.7113.2149.9178.30000107.8G182S180-G182 PolarHBondContact O-N 2.97Å
181Q42.8Very low46Very low177 Ų177140.3 Ų140.383%0.82779%0.793SS**PPolyproline II helixtrans-69.5119.9172.9-69.1-174.6-5200108.7M179M179-Q181 PolarHBondContact O-N 3.48Å
182G53.9Low46.7Very low56 Ų56146.8 Ų146.858%0.57780%0.804SS**PPolyproline II helixtrans-63.6168.9167.300000111.8S180 M184S180-G182 PolarHBondContact O-N 2.97Å; G182-M184 PolarHBondContact O-N 3.41Å
183P45.7Very low47Very low138 Ų138149.2 Ų149.290%0.89681%0.807SS**PPolyproline II helixtrans-64.7122.4-174.66.62.6000110
184M45.5Very low47.4Very low158 Ų158147.8 Ų147.878%0.77881%0.809SS**PPolyproline II helixtrans-82.7116.9-179.8-165.6168.576.700108.8G182 M186G182-M184 PolarHBondContact O-N 3.41Å; M184-M186 PolarHBondContact O-N 3.35Å
185E53.1Low47.3Very low192 Ų192147.9 Ų147.990%0.89781%0.81SS**PPolyproline II helixtrans-60.2123.2169.7-79.9-175.2112.900109.1
186M60Low47.4Very low173 Ų173151.9 Ų151.985%0.85281%0.814SS**  trans-87.8108.8173.4-63.2-172.9-169.900108.2M184M184-M186 PolarHBondContact O-N 3.35Å
187D55.7Low47.4Very low155 Ų155150.8 Ų150.883%0.82982%0.815SS**  trans-76.3123.7169.6-17035.4000109.1T189D187-T189 PolarHBondContact O-N 3.23Å
188E60.7Low47.1Very low182 Ų182153.2 Ų153.285%0.8582%0.82SS**  trans-77.3112.2179.3-70.4-166.8145.100109.9
189T56.8Low47.4Very low115 Ų115153.9 Ų153.971%0.70682%0.823SS**  trans-158.9133.6149-56.70000107.6D187D187-T189 PolarHBondContact O-N 3.23Å
190I50.3Low48.6Very low149 Ų149155.5 Ų155.576%0.76485%0.846SS**  177.6111.2127.7-77-112.4000110.7
191M44.8Very low48.9Very low150 Ų150157 Ų15774%0.73984%0.844SS**  53.7113.6126.3-48-81.4-94.500119.8Q193M191-Q193 PolarHBondContact O-N 3.24Å
192Y50Low49.3Very low238 Ų238155.9 Ų155.993%0.93385%0.845SS**  trans-59.8119.2158.7-78.5-93.7000111.5
193Q42.3Very low49Very low177 Ų177161.5 Ų161.583%0.82786%0.86SS**  trans-140.9110.5149.1-74.1-166.25.500112.1M191M191-Q193 PolarHBondContact O-N 3.24Å
194S44.3Very low49.2Very low127 Ų127162.9 Ų162.989%0.88886%0.858SS**  trans48.1122.7134-60.30000121.7
195G42Very low49.4Very low75 Ų75163.2 Ų163.277%0.77386%0.863SS**  153.9112.8123.800000119.1
196R39Very low49.2Very low256 Ų256161.3 Ų161.397%0.96686%0.861SS**  trans74.1113.5144.1-79.2-179163.2-177.8-4.6121.1
197A40.2Very low48.4Very low93 Ų93160.4 Ų160.477%0.76986%0.861SS**  trans-91.8120.5154.500000110.9
198L44.8Very low47.8Very low172 Ų172160.8 Ų160.890%0.90186%0.864SS**  trans40.1120.7131.5-66152.5000120.3
199L43.5Very low46.8Very low164 Ų164159.1 Ų159.186%0.85987%0.865SS**  trans-82.7157.3156.8-81.3163.2000110.3
200P63.2Low45.8Very low193 Ų193163.1 Ų163.1100%1.25388%0.879SS**  trans-72.10-178.731.3-36.1000114.3

Retrieved 200 of 200 residues in 770.2 ms (Link to these results)

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