A0A087YCA7_POEFO Loading...

Golgi reassembly stacking protein 1a

AlphaFold DB , UniProt , Accession A0A087YCA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 461 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
1M38.5Very low43.5Very low246 Ų246133.3 Ų133.3100%1.21276%0.762SS**  0106.30-60.2176.4-167.900106.3
2G41.8Very low44.8Very low75 Ų75124.8 Ų124.877%0.77373%0.725SS**  trans-100.3118.717600000108.7S4G2-S4 PolarHBondContact O-N 3.26Å
3L38.4Very low47.2Very low166 Ų166118.1 Ų118.187%0.86970%0.699SS**  trans-87.979.9173.9-66.7174.7000108.6Q5L3-Q5 PolarHBondContact O-N 3.1Å; L3-Q5 VanDerWaalsContact O-N 3.11Å
4S40Very low49.9Very low102 Ų102112.9 Ų112.971%0.71367%0.669SS**  trans-63.3106.9157.947.60000107.3G2 S6G2-S4 PolarHBondContact O-N 3.26Å; S4-S6 PolarHBondContact O-N 3.07Å
5Q40.1Very low52.5Low193 Ų193113 Ų11390%0.90266%0.655SS**  trans-71.574.9168.7-70.9-173.7200108.6L3 S7L3-Q5 PolarHBondContact O-N 3.1Å; L3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-S7 PolarHBondContact O-N 3.39Å; Q5-S7 VanDerWaalsContact O-N 3.07Å
6S41Very low55Low99 Ų99105.9 Ų105.969%0.69261%0.614SS**  trans-71.497.6164.5-59.90000107.1S4 E8S4-S6 PolarHBondContact O-N 3.07Å; S6-E8 PolarHBondContact O-N 2.96Å
7S43.9Very low57.2Low71 Ų71100.6 Ų100.650%0.49758%0.581SS.*  trans-47.3126.6153.7500000107.4Q5 A9Q5-S7 PolarHBondContact O-N 3.39Å; Q5-S7 VanDerWaalsContact O-N 3.07Å; S7-A9 PolarHBondContact O-N 3.04Å
8E41.3Very low59.1Low192 Ų19295.7 Ų95.790%0.89755%0.552SS**  trans-50.6113.1-176.2-167.216192.600109.2S6 P10S6-E8 PolarHBondContact O-N 2.96Å; E8-P10 WeakPolarHBondContact O-CD 3.35Å; E8-P10 VanDerWaalsContact O-N 3.15Å
9A46.6Very low60.8Low68 Ų6890.6 Ų90.656%0.56252%0.523SS*.  trans-65119.8-173.300000107.5S7 E11S7-A9 PolarHBondContact O-N 3.04Å; A9-E11 PolarHBondContact O-N 2.82Å
10P52.5Low62Low41 Ų4188.1 Ų88.127%0.26651%0.506SS..  trans-56.9137.8177.524.3-33.7000108.4E8 G12 G13 L41 V79E8-P10 WeakPolarHBondContact O-CD 3.35Å; E8-P10 VanDerWaalsContact O-N 3.15Å; P10-G12 PolarHBondContact O-N 2.92Å; P10-G13 PolarHBondContact O-N 2.9Å; P10-L41 HydrophobicContact CG-CD1 3.92Å; P10-V79 HydrophobicContact CG-CG2 4.1Å
11E54.6Low63Low213 Ų21385 Ų85100%0.99549%0.493SS*.THydrogen-bonded Turntrans-6110.1-155.8-142.7175.4160.600116.8A9A9-E11 PolarHBondContact O-N 2.82Å
12G58.8Low65.5Low31 Ų3175.1 Ų75.132%0.3245%0.445SS..THydrogen-bonded Turntrans-127.727.1-17900000115.4P10 R47P10-G12 PolarHBondContact O-N 2.92Å; G12-R47 VanDerWaalsContact O-CZ 3.25Å; G12-R47 PolarHBondContact O-NH2 3.07Å
13G76.5Confident67.9Low38 Ų3874.6 Ų74.639%0.39242%0.423SS..  trans90.3-179.5166.800000117.1P10 R47 Y105P10-G13 PolarHBondContact O-N 2.9Å; G13-R47 PolarHBondContact O-NH2 2.84Å; G13-Y105 PolarHBondContact O-OH 2.96Å
14T85Confident70.4Confident46 Ų4671.2 Ų71.228%0.28241%0.41SS..SBendtrans-93.310.7-168.958.20000115.4S104 Y105 Q106T14-S104 WeakPolarHBondContact O-CA 3.23Å; T14-S104 PolarHBondContact O-OG 3.1Å; T14-Y105 VanDerWaalsContact C-CD1 3.47Å; T14-Y105 WeakPolarHBondContact O-CD1 3.43Å; T14-Y105 WeakPolarHBondContact O-CE1 3.35Å; T14-Y105 PolarHBondContact O-N 3.48Å; T14-Q106 HydrophobicContact CG2-CB 4.39Å
15Y89.1Confident72.9Confident114 Ų11471.5 Ų71.545%0.44740%0.404SS..EExtended strand (participates in β ladder)trans-114.5155.8-176.5-65.1-99.3000112.2R47 F102 C103Y15-R47 PolarHBondContact O-NH2 2.94Å; Y15-F102 VanDerWaalsContact CB-CZ 3.44Å; Y15-F102 AromaticContact CD1-CE1 3.79Å; Y15-F102 HydrophobicContact CD1-CE1 3.79Å; Y15-F102 HydrophobicContact CD1-CZ 4.09Å; Y15-F102 HydrophobicContact CG-CE1 4.21Å; Y15-F102 HydrophobicContact CG-CZ 4.04Å; Y15-C103 WeakPolarHBondContact CA-O 3.16Å
16G92.3Very high75.5Confident0 Ų062.3 Ų62.30%036%0.361CS..EExtended strand (participates in β ladder)trans-173.9-175.3173.500000111.8H18 I40 C103G16-H18 PolarHBondContact O-N 2.86Å; G16-I40 WeakPolarHBondContact CA-O 3.37Å; G16-C103 PolarHBondContact N-O 2.89Å; G16-C103 VanDerWaalsContact N-O 3.09Å; G16-C103 PolarHBondContact O-N 2.83Å; G16-C103 VanDerWaalsContact O-O 3.06Å
17Y92.8Very high78.1Confident16 Ų1658.1 Ų58.16%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-90.1101.4177.1-73.5-92.6000110.7F39 I40 L48 E50 N52 L55 V100 R101 F102Y17-F39 CarbonylContact O-C 3.55Å; Y17-F39 WeakPolarHBondContact O-CA 3.41Å; Y17-I40 PolarHBondContact N-O 2.87Å; Y17-I40 PolarHBondContact O-N 2.91Å; Y17-L48 HydrophobicContact CD2-CB 3.87Å; Y17-L48 HydrophobicContact CD2-CD1 3.93Å; Y17-L48 HydrophobicContact CD2-CG 4.4Å; Y17-L48 HydrophobicContact CE2-CB 3.87Å; Y17-L48 HydrophobicContact CE2-CD1 4.34Å; Y17-L48 HydrophobicContact CE2-CD2 4.36Å; Y17-L48 HydrophobicContact CE2-CG 4.42Å; Y17-E50 PolarHBondContact OH-O 2.93Å; Y17-N52 PolarHBondContact OH-N 3.32Å; Y17-N52 PolarHBondContact OH-O 2.62Å; Y17-N52 VanDerWaalsContact OH-O 3.08Å; Y17-L55 HydrophobicContact CD1-CD2 3.86Å; Y17-L55 HydrophobicContact CD2-CB 4.48Å; Y17-L55 HydrophobicContact CD2-CD2 3.99Å; Y17-L55 HydrophobicContact CE1-CD2 4.35Å; Y17-L55 HydrophobicContact CE2-CB 4.28Å; Y17-L55 HydrophobicContact CE2-CD2 4.48Å; Y17-L55 HydrophobicContact CG-CD2 3.66Å; Y17-V100 HydrophobicContact CD1-CB 4.46Å; Y17-V100 HydrophobicContact CD1-CG2 4.02Å; Y17-R101 CarbonylContact C-O 3.59Å; Y17-R101 WeakPolarHBondContact CA-O 3.38Å; Y17-F102 HydrophobicContact CD1-CB 4.26Å; Y17-F102 HydrophobicContact CD2-CD2 4.1Å; Y17-F102 HydrophobicContact CE1-CB 3.97Å; Y17-F102 HydrophobicContact CE1-CD2 4.34Å; Y17-F102 AromaticContact CE2-CD2 3.78Å; Y17-F102 HydrophobicContact CE2-CD2 3.78Å; Y17-F102 HydrophobicContact CE2-CE2 4.43Å; Y17-F102 HydrophobicContact CG-CD2 4.49Å; Y17-F102 AromaticContact CZ-CD2 3.9Å
18H91.3Very high80.5Confident11 Ų1154.8 Ų54.85%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-64.4128.7174-172.5-157.6000111G16 H20 F36 F39 V100 R101 C103G16-H18 PolarHBondContact O-N 2.86Å; H18-H20 AromaticContact CE1-CE1 3.86Å; H18-H20 AromaticContact ND1-CE1 3.36Å; H18-H20 PolarHBondContact ND1-CE1 3.26Å; H18-H20 AromaticContact ND1-ND1 3.94Å; H18-H20 AromaticContact ND1-NE2 3.65Å; H18-F36 PolarHBondContact CD2-O 2.68Å; H18-F36 AromaticContact CE1-CD2 3.51Å; H18-F36 AromaticContact CE1-CE2 3.78Å; H18-F36 AromaticContact NE2-CD2 3.5Å; H18-F36 AromaticContact NE2-CE2 3.94Å; H18-F36 PolarHBondContact NE2-O 2.92Å; H18-F39 HydrophobicContact CB-CD1 3.68Å; H18-F39 HydrophobicContact CB-CE1 3.48Å; H18-F39 VanDerWaalsContact CB-CE1 3.48Å; H18-F39 HydrophobicContact CB-CG 4.47Å; H18-F39 HydrophobicContact CB-CZ 4.06Å; H18-F39 AromaticContact CD2-CD2 3.95Å; H18-F39 AromaticContact CD2-CE1 3.57Å; H18-F39 AromaticContact CD2-CE2 3.39Å; H18-F39 WeakPolarHBondContact CD2-CE2 3.33Å; H18-F39 AromaticContact CD2-CZ 3.19Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.29Å; H18-F39 AromaticContact CE1-CZ 4Å; H18-F39 AromaticContact CG-CE1 3.54Å; H18-F39 AromaticContact CG-CZ 3.57Å; H18-F39 AromaticContact NE2-CE2 3.7Å; H18-F39 AromaticContact NE2-CZ 3.49Å; H18-F39 WeakPolarHBondContact NE2-CZ 3.21Å; H18-V100 CarbonylContact O-C 3.59Å; H18-V100 WeakPolarHBondContact O-CA 3.41Å; H18-R101 PolarHBondContact N-O 2.84Å; H18-R101 PolarHBondContact O-N 2.85Å; H18-C103 VanDerWaalsContact CB-SG 3.54Å
19V91.5Very high83Confident0 Ų050 Ų500%029%0.286CS..EExtended strand (participates in β ladder)trans-86.1109.9178.2-176.60000109.2I22 L33 F36 D38 I40 A98 V100V19-I22 HydrophobicContact CG1-CD1 3.97Å; V19-I22 HydrophobicContact CG1-CG1 3.74Å; V19-L33 HydrophobicContact CG2-CD1 4.47Å; V19-L33 HydrophobicContact CG2-CD2 4.36Å; V19-F36 WeakPolarHBondContact O-CA 3.41Å; V19-F36 PolarHBondContact O-N 3.3Å; V19-D38 HydrophobicContact CB-CB 4.43Å; V19-D38 HydrophobicContact CG2-CB 4.14Å; V19-D38 PolarHBondContact N-O 2.71Å; V19-I40 HydrophobicContact CG2-CD1 4.14Å; V19-I40 HydrophobicContact CG2-CG1 4.03Å; V19-A98 HydrophobicContact CG1-CB 4.3Å; V19-V100 HydrophobicContact CG2-CG1 4.24Å
20H83.6Confident85.3Confident39 Ų3953.7 Ų53.718%0.18129%0.289CS..EExtended strand (participates in β ladder)trans-87.7-34.7178.7-76.6-72.1000113.3H18 S99 R101 L164H18-H20 AromaticContact CE1-CE1 3.86Å; H18-H20 AromaticContact ND1-CE1 3.36Å; H18-H20 PolarHBondContact ND1-CE1 3.26Å; H18-H20 AromaticContact ND1-ND1 3.94Å; H18-H20 AromaticContact ND1-NE2 3.65Å; H20-S99 PolarHBondContact N-O 3.43Å; H20-R101 VanDerWaalsContact CD2-CB 3.49Å; H20-R101 WeakPolarHBondContact CD2-CB 3.47Å; H20-R101 VanDerWaalsContact NE2-CB 3.27Å; H20-R101 WeakPolarHBondContact NE2-CB 3.33Å; H20-L164 HydrophobicContact CB-CD2 4.25Å; H20-L164 VanDerWaalsContact O-CD2 3.29Å; H20-L164 WeakPolarHBondContact O-CD2 3.22Å
21G84.3Confident87.3Confident24 Ų2452.5 Ų52.525%0.24728%0.282CS..EExtended strand (participates in β ladder)trans-156.4151.8-175.500000111.8A98 S99G21-A98 CarbonylContact O-C 3.58Å; G21-A98 VanDerWaalsContact O-CA 3.32Å; G21-A98 WeakPolarHBondContact O-CA 3.21Å; G21-S99 PolarHBondContact N-O 2.68Å; G21-S99 PolarHBondContact O-N 3.45Å
22I91.1Very high89.1Confident38 Ų3844.1 Ų44.120%0.19525%0.254CS..EExtended strand (participates in β ladder)trans-132.1132.5-178.3-65.6177000108V19 S26 A28 E29 L33 P35 A98V19-I22 HydrophobicContact CG1-CD1 3.97Å; V19-I22 HydrophobicContact CG1-CG1 3.74Å; I22-S26 WeakPolarHBondContact CG2-OG 3.29Å; I22-A28 HydrophobicContact CD1-CB 4.37Å; I22-A28 HydrophobicContact CG1-CB 4.28Å; I22-A28 HydrophobicContact CG2-CB 3.92Å; I22-E29 HydrophobicContact CG2-CB 3.73Å; I22-L33 VanDerWaalsContact CD1-C 3.48Å; I22-L33 HydrophobicContact CD1-CB 3.54Å; I22-L33 WeakPolarHBondContact CD1-O 3.36Å; I22-P35 HydrophobicContact CB-CG 4.18Å; I22-P35 HydrophobicContact CD1-CG 3.89Å; I22-P35 HydrophobicContact CG1-CG 3.97Å; I22-A98 HydrophobicContact CG1-CB 4.37Å
23Q91.2Very high90.7Very high65 Ų6543.1 Ų43.130%0.30424%0.241SC..  trans-78.5142.3175.1-74.7165.279.600110.8S26 W90 Q93 G97Q23-S26 WeakPolarHBondContact O-CB 3.27Å; Q23-S26 PolarHBondContact O-N 3.12Å; Q23-S26 PolarHBondContact O-OG 2.78Å; Q23-W90 HydrophobicContact CB-CH2 3.81Å; Q23-W90 HydrophobicContact CB-CZ3 3.95Å; Q23-W90 HydrophobicContact CG-CH2 4.37Å; Q23-Q93 PolarHBondContact NE2-O 3.47Å; Q23-G97 WeakPolarHBondContact CB-O 3.42Å; Q23-G97 PolarHBondContact N-O 2.85Å; Q23-G97 PolarHBondContact NE2-O 3.08Å; Q23-G97 VanDerWaalsContact NE2-O 3.17Å
24P90.8Very high91.4Very high94 Ų9444 Ų4461%0.6124%0.235SC*.THydrogen-bonded Turntrans-64.6144.5178.527.5-35.1000111.5S26 E29P24-S26 PolarHBondContact O-N 3.36Å; P24-E29 WeakPolarHBondContact CA-OE1 3.37Å
25N92.2Very high91.5Very high109 Ų10943.1 Ų43.158%0.58323%0.23SC*.THydrogen-bonded Turntrans61.610.2-173.5-54.8-86.3000115.5E29 K30N25-E29 VanDerWaalsContact CA-OE2 3.27Å; N25-E29 WeakPolarHBondContact CA-OE2 3.49Å; N25-E29 PolarHBondContact N-OE2 3.32Å; N25-K30 VanDerWaalsContact O-CE 3.27Å; N25-K30 WeakPolarHBondContact O-CE 3.48Å; N25-K30 PolarHBondContact O-NZ 2.94Å
26S95.4Very high91.3Very high0 Ų038 Ų380%021%0.21CC..SBendtrans-72.4162.2179.665.90000113.5I22 Q23 P24 A28 E29 K30I22-S26 WeakPolarHBondContact CG2-OG 3.29Å; Q23-S26 WeakPolarHBondContact O-CB 3.27Å; Q23-S26 PolarHBondContact O-N 3.12Å; Q23-S26 PolarHBondContact O-OG 2.78Å; P24-S26 PolarHBondContact O-N 3.36Å; S26-A28 PolarHBondContact O-N 3.01Å; S26-E29 PolarHBondContact O-N 2.96Å; S26-E29 PolarHBondContact OG-N 3.14Å; S26-K30 WeakPolarHBondContact O-CG 3.46Å; S26-K30 PolarHBondContact O-N 3.36Å; S26-K30 VanDerWaalsContact O-N 3.08Å
27P95.6Very high91.2Very high11 Ų1138.3 Ų38.37%0.07121%0.211CC..Hα-helixtrans-55.6-35.6168.2-29.838.8000114.1K30 A31 V84 V85 W90 L96P27-K30 PolarHBondContact O-N 3.32Å; P27-A31 VanDerWaalsContact O-CB 3.29Å; P27-A31 WeakPolarHBondContact O-CB 3.23Å; P27-A31 PolarHBondContact O-N 3.37Å; P27-V84 HydrophobicContact CB-CG2 4.15Å; P27-V85 WeakPolarHBondContact CB-O 3.35Å; P27-W90 HydrophobicContact CG-CG 4.26Å; P27-L96 HydrophobicContact CB-CD1 4.49Å
28A94.8Very high91.2Very high0 Ų037.6 Ų37.60%021%0.208CC..Hα-helixtrans-62.5-47.3175.700000112.9I22 S26 A31 G32 L33 L96 A98I22-A28 HydrophobicContact CD1-CB 4.37Å; I22-A28 HydrophobicContact CG1-CB 4.28Å; I22-A28 HydrophobicContact CG2-CB 3.92Å; S26-A28 PolarHBondContact O-N 3.01Å; A28-A31 PolarHBondContact O-N 3.03Å; A28-G32 PolarHBondContact O-N 2.76Å; A28-L33 HydrophobicContact CB-CB 4.45Å; A28-L33 HydrophobicContact CB-CD1 3.81Å; A28-L33 PolarHBondContact O-N 3.18Å; A28-L33 VanDerWaalsContact O-N 3.14Å; A28-L96 HydrophobicContact CB-CD1 3.82Å; A28-L96 HydrophobicContact CB-CG 3.99Å; A28-L96 VanDerWaalsContact CB-O 3.23Å; A28-L96 WeakPolarHBondContact CB-O 3.47Å; A28-L96 PolarHBondContact N-O 3.17Å; A28-A98 HydrophobicContact CB-CB 3.89Å
29E93.4Very high91.3Very high92 Ų9237.1 Ų37.143%0.4321%0.206SC..Hα-helixtrans-61.6-45.9177.1-170.9-174.4-111.100110.7I22 P24 N25 S26 A31 G32I22-E29 HydrophobicContact CG2-CB 3.73Å; P24-E29 WeakPolarHBondContact CA-OE1 3.37Å; N25-E29 VanDerWaalsContact CA-OE2 3.27Å; N25-E29 WeakPolarHBondContact CA-OE2 3.49Å; N25-E29 PolarHBondContact N-OE2 3.32Å; S26-E29 PolarHBondContact O-N 2.96Å; S26-E29 PolarHBondContact OG-N 3.14Å; E29-A31 VanDerWaalsContact C-N 3.29Å; E29-A31 PolarHBondContact O-N 3.34Å; E29-G32 PolarHBondContact O-N 3.2Å
30K93.7Very high91.5Very high146 Ų14637.1 Ų37.164%0.63521%0.206SC*.Hα-helixtrans-64.2-30.8178.5-71.2165.1177.21570113.5N25 S26 P27 G32N25-K30 VanDerWaalsContact O-CE 3.27Å; N25-K30 WeakPolarHBondContact O-CE 3.48Å; N25-K30 PolarHBondContact O-NZ 2.94Å; S26-K30 WeakPolarHBondContact O-CG 3.46Å; S26-K30 PolarHBondContact O-N 3.36Å; S26-K30 VanDerWaalsContact O-N 3.08Å; P27-K30 PolarHBondContact O-N 3.32Å; K30-G32 VanDerWaalsContact C-N 3.26Å
31A94.5Very high92Very high15 Ų1535.3 Ų35.312%0.12420%0.198CC..THydrogen-bonded Turntrans-78.2-6.5174.500000113.5P27 A28 E29 E83 V84P27-A31 VanDerWaalsContact O-CB 3.29Å; P27-A31 WeakPolarHBondContact O-CB 3.23Å; P27-A31 PolarHBondContact O-N 3.37Å; A28-A31 PolarHBondContact O-N 3.03Å; E29-A31 VanDerWaalsContact C-N 3.29Å; E29-A31 PolarHBondContact O-N 3.34Å; A31-E83 WeakPolarHBondContact CB-O 3.33Å; A31-V84 HydrophobicContact CB-CB 3.83Å; A31-V84 HydrophobicContact CB-CG2 3.84Å
32G92.6Very high92.4Very high38 Ų3834.3 Ų34.339%0.39219%0.187SC..THydrogen-bonded Turntrans74.430.3-178.600000114A28 E29 K30 R80A28-G32 PolarHBondContact O-N 2.76Å; E29-G32 PolarHBondContact O-N 3.2Å; K30-G32 VanDerWaalsContact C-N 3.26Å; G32-R80 PolarHBondContact O-NH2 2.87Å
33L93.5Very high92.5Very high9 Ų932.5 Ų32.55%0.04718%0.178CC..  trans-67.8139163.3-75.7175.7000109.7V19 I22 A28 D38 I40 M69 V71 L82 L96V19-L33 HydrophobicContact CG2-CD1 4.47Å; V19-L33 HydrophobicContact CG2-CD2 4.36Å; I22-L33 VanDerWaalsContact CD1-C 3.48Å; I22-L33 HydrophobicContact CD1-CB 3.54Å; I22-L33 WeakPolarHBondContact CD1-O 3.36Å; A28-L33 HydrophobicContact CB-CB 4.45Å; A28-L33 HydrophobicContact CB-CD1 3.81Å; A28-L33 PolarHBondContact O-N 3.18Å; A28-L33 VanDerWaalsContact O-N 3.14Å; L33-D38 WeakPolarHBondContact CA-OD2 3.5Å; L33-D38 HydrophobicContact CD2-CB 4.22Å; L33-I40 HydrophobicContact CD1-CD1 4.39Å; L33-I40 HydrophobicContact CD2-CG1 4.47Å; L33-M69 HydrophobicContact CD1-CE 3.89Å; L33-M69 HydrophobicContact CD1-SD 4.44Å; L33-M69 HydrophobicContact CD2-CE 3.8Å; L33-M69 HydrophobicContact CG-CE 3.87Å; L33-V71 HydrophobicContact CD2-CG1 4.06Å; L33-V71 HydrophobicContact CD2-CG2 3.81Å; L33-L82 HydrophobicContact CD2-CD1 3.89Å; L33-L82 HydrophobicContact CG-CD1 4.31Å; L33-L96 HydrophobicContact CD1-CD1 4.42Å; L33-L96 HydrophobicContact CD1-CD2 4.45Å
34Q90.1Very high92.5Very high58 Ų5832.2 Ų32.227%0.27118%0.178SC..  trans-110.2122.7177.4-66.4-171.7-57.100109.9F37 D38Q34-F37 HydrophobicContact CB-CB 4.27Å; Q34-F37 HydrophobicContact CB-CD2 4.42Å; Q34-D38 PolarHBondContact N-OD2 3.46Å; Q34-D38 WeakPolarHBondContact O-CB 3.34Å; Q34-D38 PolarHBondContact O-N 2.96Å
35P88.6Confident92.3Very high27 Ų2733 Ų3318%0.17518%0.177CC..THydrogen-bonded Turntrans-59.5148174.9-17.930.5000111.2I22 F37 C173I22-P35 HydrophobicContact CB-CG 4.18Å; I22-P35 HydrophobicContact CD1-CG 3.89Å; I22-P35 HydrophobicContact CG1-CG 3.97Å; P35-F37 WeakPolarHBondContact O-CD2 3.3Å; P35-F37 PolarHBondContact O-N 2.75Å; P35-C173 HydrophobicContact CB-CB 3.96Å
36F85.3Confident92.2Very high6 Ų632.3 Ų32.33%0.02617%0.171CC..THydrogen-bonded Turntrans59.4-33.9-172-179.5-107.1000116.8H18 V19 A108 V112 V137 L164 I202H18-F36 PolarHBondContact CD2-O 2.68Å; H18-F36 AromaticContact CE1-CD2 3.51Å; H18-F36 AromaticContact CE1-CE2 3.78Å; H18-F36 AromaticContact NE2-CD2 3.5Å; H18-F36 AromaticContact NE2-CE2 3.94Å; H18-F36 PolarHBondContact NE2-O 2.92Å; V19-F36 WeakPolarHBondContact O-CA 3.41Å; V19-F36 PolarHBondContact O-N 3.3Å; F36-A108 WeakPolarHBondContact CZ-O 3.41Å; F36-V112 HydrophobicContact CE1-CG2 4.19Å; F36-V112 HydrophobicContact CZ-CG2 3.9Å; F36-V137 HydrophobicContact CB-CB 4.49Å; F36-V137 HydrophobicContact CB-CG2 4.1Å; F36-V137 HydrophobicContact CD1-CB 3.82Å; F36-V137 HydrophobicContact CD1-CG1 3.67Å; F36-V137 HydrophobicContact CD1-CG2 4.26Å; F36-V137 HydrophobicContact CD2-CB 3.53Å; F36-V137 HydrophobicContact CD2-CG1 4.3Å; F36-V137 HydrophobicContact CD2-CG2 3.91Å; F36-V137 HydrophobicContact CE1-CB 3.87Å; F36-V137 HydrophobicContact CE1-CG1 3.57Å; F36-V137 HydrophobicContact CE2-CB 3.6Å; F36-V137 HydrophobicContact CE2-CG1 4.23Å; F36-V137 HydrophobicContact CE2-CG2 4.46Å; F36-V137 WeakPolarHBondContact CE2-O 3.34Å; F36-V137 HydrophobicContact CG-CB 3.64Å; F36-V137 HydrophobicContact CG-CG1 4.03Å; F36-V137 HydrophobicContact CG-CG2 3.79Å; F36-V137 HydrophobicContact CZ-CB 3.75Å; F36-V137 HydrophobicContact CZ-CG1 3.86Å; F36-L164 HydrophobicContact CB-CD2 4.49Å; F36-I202 HydrophobicContact CD1-CD1 4.15Å; F36-I202 HydrophobicContact CE1-CD1 3.8Å
37F89.4Confident92Very high7 Ų734.9 Ų34.93%0.03118%0.18CC..THydrogen-bonded Turntrans-83.1-24.4-174.6-59.2-73.5000113.6Q34 P35 S73 T74 K75 Y166 I202Q34-F37 HydrophobicContact CB-CB 4.27Å; Q34-F37 HydrophobicContact CB-CD2 4.42Å; P35-F37 WeakPolarHBondContact O-CD2 3.3Å; P35-F37 PolarHBondContact O-N 2.75Å; F37-S73 CarbonylContact O-C 3.6Å; F37-S73 WeakPolarHBondContact O-CA 3.1Å; F37-T74 WeakPolarHBondContact CA-OG1 3.24Å; F37-T74 WeakPolarHBondContact CD1-OG1 3.48Å; F37-T74 PolarHBondContact O-N 3.48Å; F37-T74 PolarHBondContact O-OG1 3.04Å; F37-K75 HydrophobicContact CB-CG 4.07Å; F37-K75 HydrophobicContact CD1-CD 4.2Å; F37-K75 HydrophobicContact CD1-CG 3.4Å; F37-K75 VanDerWaalsContact CD1-CG 3.4Å; F37-K75 HydrophobicContact CD2-CD 4.23Å; F37-K75 HydrophobicContact CD2-CG 4.3Å; F37-K75 HydrophobicContact CE1-CD 4.49Å; F37-K75 HydrophobicContact CE1-CG 3.85Å; F37-K75 VanDerWaalsContact CE2-CE 3.45Å; F37-K75 HydrophobicContact CG-CD 4.03Å; F37-K75 HydrophobicContact CG-CG 3.64Å; F37-K75 HydrophobicContact CZ-CG 4.47Å; F37-Y166 AromaticContact CE2-CD2 3.51Å; F37-Y166 HydrophobicContact CE2-CD2 3.51Å; F37-Y166 AromaticContact CE2-CE2 3.46Å; F37-Y166 HydrophobicContact CE2-CE2 3.46Å; F37-Y166 VanDerWaalsContact CE2-CE2 3.46Å; F37-Y166 HydrophobicContact CE2-CG 4.22Å; F37-Y166 HydrophobicContact CZ-CD1 4.1Å; F37-Y166 AromaticContact CZ-CD2 3.55Å; F37-Y166 HydrophobicContact CZ-CD2 3.55Å; F37-Y166 HydrophobicContact CZ-CE1 4.02Å; F37-Y166 AromaticContact CZ-CE2 3.47Å; F37-Y166 HydrophobicContact CZ-CE2 3.47Å; F37-Y166 VanDerWaalsContact CZ-CE2 3.47Å; F37-Y166 AromaticContact CZ-CG 3.85Å; F37-Y166 HydrophobicContact CZ-CG 3.85Å; F37-Y166 AromaticContact CZ-CZ 3.7Å; F37-I202 HydrophobicContact CE1-CD1 3.79Å; F37-I202 HydrophobicContact CE1-CG2 4.01Å; F37-I202 HydrophobicContact CZ-CD1 3.9Å; F37-I202 HydrophobicContact CZ-CG2 4.17Å
38D92.7Very high91.7Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-102138.7-171.1-76-10.7000114.5V19 L33 Q34 V71 Y72 R80V19-D38 HydrophobicContact CB-CB 4.43Å; V19-D38 HydrophobicContact CG2-CB 4.14Å; V19-D38 PolarHBondContact N-O 2.71Å; L33-D38 WeakPolarHBondContact CA-OD2 3.5Å; L33-D38 HydrophobicContact CD2-CB 4.22Å; Q34-D38 PolarHBondContact N-OD2 3.46Å; Q34-D38 WeakPolarHBondContact O-CB 3.34Å; Q34-D38 PolarHBondContact O-N 2.96Å; D38-V71 HydrophobicContact CB-CG1 3.46Å; D38-V71 VanDerWaalsContact CB-CG1 3.46Å; D38-V71 VanDerWaalsContact CG-CG1 3.44Å; D38-Y72 WeakPolarHBondContact CA-O 3.4Å; D38-R80 IonicContact OD1-CZ 3.6Å; D38-R80 IonicContact OD1-NH1 2.68Å; D38-R80 PolarHBondContact OD1-NH1 2.85Å; D38-R80 IonicContact OD1-NH2 3.93Å; D38-R80 PolarHBondContact OD1-NH2 2.83Å; D38-R80 IonicContact OD2-CZ 2.71Å; D38-R80 IonicContact OD2-NH1 2.72Å; D38-R80 PolarHBondContact OD2-NH1 3.15Å; D38-R80 IonicContact OD2-NH2 3.65Å; D38-R80 PolarHBondContact OD2-NH2 2.89Å
39F93.9Very high91.4Very high1 Ų137.2 Ų37.20%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-124.6113.2173.9-68-105.4000108.9Y17 H18 L41 V71 Y72 T74 A108Y17-F39 CarbonylContact O-C 3.55Å; Y17-F39 WeakPolarHBondContact O-CA 3.41Å; H18-F39 HydrophobicContact CB-CD1 3.68Å; H18-F39 HydrophobicContact CB-CE1 3.48Å; H18-F39 VanDerWaalsContact CB-CE1 3.48Å; H18-F39 HydrophobicContact CB-CG 4.47Å; H18-F39 HydrophobicContact CB-CZ 4.06Å; H18-F39 AromaticContact CD2-CD2 3.95Å; H18-F39 AromaticContact CD2-CE1 3.57Å; H18-F39 AromaticContact CD2-CE2 3.39Å; H18-F39 WeakPolarHBondContact CD2-CE2 3.33Å; H18-F39 AromaticContact CD2-CZ 3.19Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.29Å; H18-F39 AromaticContact CE1-CZ 4Å; H18-F39 AromaticContact CG-CE1 3.54Å; H18-F39 AromaticContact CG-CZ 3.57Å; H18-F39 AromaticContact NE2-CE2 3.7Å; H18-F39 AromaticContact NE2-CZ 3.49Å; H18-F39 WeakPolarHBondContact NE2-CZ 3.21Å; F39-L41 HydrophobicContact CB-CD2 4.31Å; F39-L41 PolarHBondContact O-N 3.36Å; F39-V71 CarbonylContact O-C 3.54Å; F39-V71 WeakPolarHBondContact O-CA 3.46Å; F39-Y72 HydrophobicContact CD2-CD1 4.27Å; F39-Y72 PolarHBondContact N-O 3.13Å; F39-Y72 PolarHBondContact O-N 2.71Å; F39-T74 HydrophobicContact CD2-CG2 4.16Å; F39-T74 HydrophobicContact CE2-CG2 3.62Å; F39-A108 HydrophobicContact CE1-CB 4.41Å; F39-A108 HydrophobicContact CE2-CB 3.99Å; F39-A108 HydrophobicContact CZ-CB 3.47Å; F39-A108 VanDerWaalsContact CZ-CB 3.47Å
40I94.8Very high91Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-72.3113.5176.7-51.6172.5000107.9G16 Y17 V19 L33 L48 M69 L96 V100G16-I40 WeakPolarHBondContact CA-O 3.37Å; Y17-I40 PolarHBondContact N-O 2.87Å; Y17-I40 PolarHBondContact O-N 2.91Å; V19-I40 HydrophobicContact CG2-CD1 4.14Å; V19-I40 HydrophobicContact CG2-CG1 4.03Å; L33-I40 HydrophobicContact CD1-CD1 4.39Å; L33-I40 HydrophobicContact CD2-CG1 4.47Å; I40-L48 HydrophobicContact CG2-CD1 3.95Å; I40-M69 HydrophobicContact CD1-SD 3.99Å; I40-M69 HydrophobicContact CG1-SD 4.08Å; I40-M69 HydrophobicContact CG2-CG 3.7Å; I40-M69 HydrophobicContact CG2-SD 3.84Å; I40-L96 HydrophobicContact CD1-CD2 4.22Å; I40-V100 HydrophobicContact CD1-CG1 4.24Å
41L93.6Very high90.7Very high1 Ų138.6 Ų38.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-95.4-36.9-177.4-59.4-167.2000112.6P10 F39 R47 L48 E70 V79 Y105P10-L41 HydrophobicContact CG-CD1 3.92Å; F39-L41 HydrophobicContact CB-CD2 4.31Å; F39-L41 PolarHBondContact O-N 3.36Å; L41-R47 VanDerWaalsContact O-CD 3.24Å; L41-R47 WeakPolarHBondContact O-CD 3.44Å; L41-R47 PolarHBondContact O-NE 3.4Å; L41-L48 WeakPolarHBondContact O-CB 3.27Å; L41-L48 PolarHBondContact O-N 2.83Å; L41-E70 PolarHBondContact N-O 3.39Å; L41-V79 HydrophobicContact CD1-CG2 3.95Å; L41-Y105 HydrophobicContact CD1-CE1 4.44Å; L41-Y105 HydrophobicContact CD2-CD1 3.77Å; L41-Y105 HydrophobicContact CD2-CE1 3.6Å
42S93.4Very high90.4Very high3 Ų340.5 Ų40.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-150.1157.5179.783.20000111.7Q46 M69 E70S42-Q46 CarbonylContact C-O 3.53Å; S42-Q46 WeakPolarHBondContact CA-O 3.1Å; S42-Q46 WeakPolarHBondContact CB-O 3.35Å; S42-M69 WeakPolarHBondContact O-CA 3.41Å; S42-E70 WeakPolarHBondContact CB-OE2 3.44Å; S42-E70 PolarHBondContact N-O 2.84Å; S42-E70 PolarHBondContact O-N 3.44Å; S42-E70 VanDerWaalsContact OG-CB 3.29Å; S42-E70 WeakPolarHBondContact OG-CB 3.5Å; S42-E70 WeakPolarHBondContact OG-CG 3.37Å; S42-E70 PolarHBondContact OG-OE2 3.48Å
43L93.6Very high90.3Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-144131.7175.5-165.9133000109N45 Q46 L48 L55 L58 L59 V67 M69L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.89Å; L43-Q46 PolarHBondContact N-O 3.02Å; L43-Q46 WeakPolarHBondContact O-CB 3.49Å; L43-Q46 PolarHBondContact O-N 2.99Å; L43-L48 HydrophobicContact CB-CD1 4.49Å; L43-L55 HydrophobicContact CD1-CD1 4.05Å; L43-L58 HydrophobicContact CD2-CB 3.54Å; L43-L59 HydrophobicContact CD1-CD2 3.91Å; L43-L59 HydrophobicContact CD1-CG 4.46Å; L43-V67 HydrophobicContact CD2-CG1 3.7Å; L43-V67 HydrophobicContact CG-CG1 3.81Å; L43-M69 HydrophobicContact CD1-CB 4.43Å; L43-M69 HydrophobicContact CD1-CG 4.24Å; L43-M69 HydrophobicContact CD1-SD 4.19Å
44D90.1Very high90.2Very high60 Ų6045.9 Ų45.932%0.32123%0.228SC..THydrogen-bonded Turntrans52.443.5-173.3-151.117.9000112.9Q46 N62 V67 R68D44-Q46 PolarHBondContact O-N 3.34Å; D44-Q46 VanDerWaalsContact O-N 3.1Å; D44-N62 PolarHBondContact OD2-ND2 2.95Å; D44-N62 VanDerWaalsContact OD2-ND2 3.07Å; D44-V67 HydrophobicContact CB-CG1 3.65Å; D44-R68 PolarHBondContact N-O 2.92Å
45N86.7Confident90.3Very high110 Ų11043.6 Ų43.659%0.58822%0.218SC*.THydrogen-bonded Turntrans61.38.2-174.1-72.351.4000115.6L43 R68L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.89Å; N45-R68 VanDerWaalsContact CG-NH2 3.29Å; N45-R68 PolarHBondContact ND2-NH2 3.42Å; N45-R68 VanDerWaalsContact ND2-NH2 3.12Å; N45-R68 PolarHBondContact OD1-NE 2.93Å; N45-R68 PolarHBondContact OD1-NH2 2.92Å
46Q90.4Very high90.5Very high94 Ų9447 Ų4744%0.43923%0.23SC..EExtended strand (participates in β ladder)trans-94.8121.3174.2-57.9-163.37.400111.2S42 L43 D44 L58S42-Q46 CarbonylContact C-O 3.53Å; S42-Q46 WeakPolarHBondContact CA-O 3.1Å; S42-Q46 WeakPolarHBondContact CB-O 3.35Å; L43-Q46 PolarHBondContact N-O 3.02Å; L43-Q46 WeakPolarHBondContact O-CB 3.49Å; L43-Q46 PolarHBondContact O-N 2.99Å; D44-Q46 PolarHBondContact O-N 3.34Å; D44-Q46 VanDerWaalsContact O-N 3.1Å; Q46-L58 HydrophobicContact CB-CD1 3.93Å; Q46-L58 HydrophobicContact CG-CD1 4.44Å; Q46-L58 HydrophobicContact CG-CD2 4.38Å
47R91.1Very high90.9Very high55 Ų5552.1 Ų52.121%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-69.9133.2178.1-17571-161-127.9-6.4110.9G12 G13 Y15 L41 S49G12-R47 VanDerWaalsContact O-CZ 3.25Å; G12-R47 PolarHBondContact O-NH2 3.07Å; G13-R47 PolarHBondContact O-NH2 2.84Å; Y15-R47 PolarHBondContact O-NH2 2.94Å; L41-R47 VanDerWaalsContact O-CD 3.24Å; L41-R47 WeakPolarHBondContact O-CD 3.44Å; L41-R47 PolarHBondContact O-NE 3.4Å; R47-S49 PolarHBondContact O-N 3.03Å
48L90.4Very high91.1Very high0 Ų052.6 Ų52.60%026%0.257CS..  trans-98.876.7177.2-63.1172.7000109.4Y17 I40 L41 L43 Q54 L55 L58Y17-L48 HydrophobicContact CD2-CB 3.87Å; Y17-L48 HydrophobicContact CD2-CD1 3.93Å; Y17-L48 HydrophobicContact CD2-CG 4.4Å; Y17-L48 HydrophobicContact CE2-CB 3.87Å; Y17-L48 HydrophobicContact CE2-CD1 4.34Å; Y17-L48 HydrophobicContact CE2-CD2 4.36Å; Y17-L48 HydrophobicContact CE2-CG 4.42Å; I40-L48 HydrophobicContact CG2-CD1 3.95Å; L41-L48 WeakPolarHBondContact O-CB 3.27Å; L41-L48 PolarHBondContact O-N 2.83Å; L43-L48 HydrophobicContact CB-CD1 4.49Å; L48-Q54 HydrophobicContact CD2-CB 4.12Å; L48-L55 HydrophobicContact CD1-CB 4.13Å; L48-L55 HydrophobicContact CD1-CD1 3.86Å; L48-L55 HydrophobicContact CD1-CG 4.4Å; L48-L55 HydrophobicContact CD2-CB 4.06Å; L48-L58 HydrophobicContact CD2-CD1 4.4Å
49S86.8Confident91.1Very high59 Ų5953.3 Ų53.341%0.41326%0.261SS..  trans-96.1-1.8-175.354.80000114.9R47 F102R47-S49 PolarHBondContact O-N 3.03Å; S49-F102 VanDerWaalsContact C-CZ 3.49Å; S49-F102 VanDerWaalsContact O-CZ 3.3Å; S49-F102 WeakPolarHBondContact O-CZ 3.39Å
50E86.5Confident91.1Very high122 Ų12258.2 Ų58.257%0.5728%0.282SS*.SBendtrans-139.6153.6-176-64.8-178.5178.300111.8Y17 N52Y17-E50 PolarHBondContact OH-O 2.93Å; E50-N52 PolarHBondContact O-N 3.41Å
51E87.4Confident91.1Very high146 Ų14662.1 Ų62.168%0.68231%0.314SS*.SBendtrans-79.2101.3172.1-171.6168.3-145.800110F102E51-F102 HydrophobicContact CB-CB 3.78Å; E51-F102 HydrophobicContact CB-CD1 3.69Å; E51-F102 HydrophobicContact CB-CE1 4.44Å; E51-F102 HydrophobicContact CB-CG 3.75Å; E51-F102 HydrophobicContact CG-CB 3.82Å; E51-F102 HydrophobicContact CG-CG 4.36Å
52N88.4Confident91Very high55 Ų5562.5 Ų62.529%0.29432%0.316SS..SBendtrans-159.4-177.2-175.362.732.1000111Y17 E50 Q54Y17-N52 PolarHBondContact OH-N 3.32Å; Y17-N52 PolarHBondContact OH-O 2.62Å; Y17-N52 VanDerWaalsContact OH-O 3.08Å; E50-N52 PolarHBondContact O-N 3.41Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact ND2-OE1 3.28Å; N52-Q54 PolarHBondContact O-N 3.11Å; N52-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N52-Q54 WeakPolarHBondContact OD1-CG 3.4Å; N52-Q54 PolarHBondContact OD1-N 3.07Å; N52-Q54 PolarHBondContact OD1-OE1 3.1Å
53E90.5Very high91.1Very high97 Ų9766 Ų6645%0.45333%0.333SS..SBendtrans-80.51.9179.1-62.1-128.7128.800114.3L55 K56 E57E53-L55 PolarHBondContact O-N 2.84Å; E53-K56 CarbonylContact O-C 3.43Å; E53-K56 WeakPolarHBondContact O-CA 3.18Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 WeakPolarHBondContact OE1-CD 3.05Å; E53-K56 IonicContact OE1-NZ 2.75Å; E53-K56 PolarHBondContact OE1-NZ 2.67Å; E53-K56 IonicContact OE2-NZ 3.71Å; E53-K56 PolarHBondContact OE2-NZ 3.35Å; E53-E57 HydrophobicContact CB-CG 4.38Å; E53-E57 WeakPolarHBondContact O-CG 3.36Å; E53-E57 PolarHBondContact O-N 3.25Å
54Q91.1Very high91Very high63 Ų6370.4 Ų70.429%0.29435%0.354SS..Hα-helixtrans-56.6-44.6-172.5-71.8-179-75.300113.2L48 N52 K56 E57 L58L48-Q54 HydrophobicContact CD2-CB 4.12Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact ND2-OE1 3.28Å; N52-Q54 PolarHBondContact O-N 3.11Å; N52-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N52-Q54 WeakPolarHBondContact OD1-CG 3.4Å; N52-Q54 PolarHBondContact OD1-N 3.07Å; N52-Q54 PolarHBondContact OD1-OE1 3.1Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.3Å; Q54-E57 PolarHBondContact O-N 2.71Å; Q54-L58 WeakPolarHBondContact O-CB 3.13Å; Q54-L58 VanDerWaalsContact O-CG 3.29Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 3.47Å
55L91.7Very high91.3Very high9 Ų974.5 Ų74.55%0.04737%0.365CS..Hα-helixtrans-57-43.6176172.859.4000111.2Y17 L43 L48 E53 L59 V100Y17-L55 HydrophobicContact CD1-CD2 3.86Å; Y17-L55 HydrophobicContact CD2-CB 4.48Å; Y17-L55 HydrophobicContact CD2-CD2 3.99Å; Y17-L55 HydrophobicContact CE1-CD2 4.35Å; Y17-L55 HydrophobicContact CE2-CB 4.28Å; Y17-L55 HydrophobicContact CE2-CD2 4.48Å; Y17-L55 HydrophobicContact CG-CD2 3.66Å; L43-L55 HydrophobicContact CD1-CD1 4.05Å; L48-L55 HydrophobicContact CD1-CB 4.13Å; L48-L55 HydrophobicContact CD1-CD1 3.86Å; L48-L55 HydrophobicContact CD1-CG 4.4Å; L48-L55 HydrophobicContact CD2-CB 4.06Å; E53-L55 PolarHBondContact O-N 2.84Å; L55-L59 HydrophobicContact CD1-CD1 3.93Å; L55-L59 HydrophobicContact CD1-CG 4.17Å; L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CD1 3.16Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.77Å; L55-V100 HydrophobicContact CD2-CG2 4.02Å
56K92Very high91.7Very high100 Ų10071.4 Ų71.444%0.43535%0.354SS..Hα-helixtrans-71.3-34.1-179.3-177.5-174.9177.4-168.60112E53 Q54 K60E53-K56 CarbonylContact O-C 3.43Å; E53-K56 WeakPolarHBondContact O-CA 3.18Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 WeakPolarHBondContact OE1-CD 3.05Å; E53-K56 IonicContact OE1-NZ 2.75Å; E53-K56 PolarHBondContact OE1-NZ 2.67Å; E53-K56 IonicContact OE2-NZ 3.71Å; E53-K56 PolarHBondContact OE2-NZ 3.35Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.3Å; K56-K60 WeakPolarHBondContact O-CD 3.37Å; K56-K60 VanDerWaalsContact O-CG 3.23Å; K56-K60 WeakPolarHBondContact O-CG 3.39Å; K56-K60 PolarHBondContact O-N 2.65Å
57E93.8Very high91.9Very high113 Ų11367.1 Ų67.153%0.52833%0.334SS..Hα-helixtrans-70.1-46.2174.2-71.3-179.9171.200111.8E53 Q54 L59 K60 A61E53-E57 HydrophobicContact CB-CG 4.38Å; E53-E57 WeakPolarHBondContact O-CG 3.36Å; E53-E57 PolarHBondContact O-N 3.25Å; Q54-E57 PolarHBondContact O-N 2.71Å; E57-L59 PolarHBondContact O-N 3.24Å; E57-K60 WeakPolarHBondContact O-CB 3.23Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 VanDerWaalsContact O-N 3.13Å; E57-A61 WeakPolarHBondContact O-CB 3.35Å; E57-A61 PolarHBondContact O-N 3.23Å
58L93.3Very high92.1Very high17 Ų1768.5 Ų68.59%0.08934%0.34CS..Hα-helixtrans-64.4-39.5178.1-70.2165.9000112.3L43 Q46 L48 Q54 K60 A61 N62L43-L58 HydrophobicContact CD2-CB 3.54Å; Q46-L58 HydrophobicContact CB-CD1 3.93Å; Q46-L58 HydrophobicContact CG-CD1 4.44Å; Q46-L58 HydrophobicContact CG-CD2 4.38Å; L48-L58 HydrophobicContact CD2-CD1 4.4Å; Q54-L58 WeakPolarHBondContact O-CB 3.13Å; Q54-L58 VanDerWaalsContact O-CG 3.29Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 3.47Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.22Å; L58-A61 PolarHBondContact O-N 3.08Å; L58-N62 PolarHBondContact O-N 3.12Å; L58-N62 VanDerWaalsContact O-N 3.08Å; L58-N62 PolarHBondContact O-ND2 3.41Å
59L93.6Very high92.3Very high15 Ų1568.5 Ų68.58%0.07934%0.34CS..Hα-helixtrans-63.4-35.5172.3-71.9170.3000112.5L43 L55 E57 M63 P86 L95 L96L43-L59 HydrophobicContact CD1-CD2 3.91Å; L43-L59 HydrophobicContact CD1-CG 4.46Å; L55-L59 HydrophobicContact CD1-CD1 3.93Å; L55-L59 HydrophobicContact CD1-CG 4.17Å; L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CD1 3.16Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.77Å; E57-L59 PolarHBondContact O-N 3.24Å; L59-M63 PolarHBondContact O-N 3.03Å; L59-P86 HydrophobicContact CD2-CB 3.96Å; L59-P86 HydrophobicContact CD2-CG 3.55Å; L59-L95 HydrophobicContact CB-CD1 4.21Å; L59-L95 WeakPolarHBondContact O-CD1 3.32Å; L59-L96 HydrophobicContact CD1-CB 4.17Å; L59-L96 HydrophobicContact CD1-CD2 4.29Å; L59-L96 HydrophobicContact CD2-CB 4.43Å
60K93.5Very high92.7Very high103 Ų10368 Ų6845%0.44833%0.331SS..Hα-helixtrans-71.9-41.8174-74.5166.3179.4174.60112K56 E57 L58 N62 M63 L95K56-K60 WeakPolarHBondContact O-CD 3.37Å; K56-K60 VanDerWaalsContact O-CG 3.23Å; K56-K60 WeakPolarHBondContact O-CG 3.39Å; K56-K60 PolarHBondContact O-N 2.65Å; E57-K60 WeakPolarHBondContact O-CB 3.23Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 VanDerWaalsContact O-N 3.13Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.22Å; K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.14Å; K60-M63 PolarHBondContact O-N 2.77Å; K60-L95 HydrophobicContact CB-CD1 4.32Å; K60-L95 HydrophobicContact CG-CD1 3.79Å
61A94.3Very high93.1Very high82 Ų8262.2 Ų62.268%0.67830%0.304SS*.Hα-helixtrans-65.2-31.8-178.500000112.3E57 L58E57-A61 WeakPolarHBondContact O-CB 3.35Å; E57-A61 PolarHBondContact O-N 3.23Å; L58-A61 PolarHBondContact O-N 3.08Å
62N92.8Very high93.4Very high9 Ų956.5 Ų56.55%0.04828%0.276CS..THydrogen-bonded Turntrans-107.733178.2-70.5-63.8000113.4D44 L58 K60 R65 V67D44-N62 PolarHBondContact OD2-ND2 2.95Å; D44-N62 VanDerWaalsContact OD2-ND2 3.07Å; L58-N62 PolarHBondContact O-N 3.12Å; L58-N62 VanDerWaalsContact O-N 3.08Å; L58-N62 PolarHBondContact O-ND2 3.41Å; K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.14Å; N62-R65 HydrophobicContact CB-CB 4.47Å; N62-R65 PolarHBondContact O-N 3.28Å; N62-R65 PolarHBondContact OD1-NH1 2.97Å; N62-V67 HydrophobicContact CB-CG2 3.23Å
63M94.1Very high93.5Very high76 Ų7654 Ų5437%0.37426%0.263SS..THydrogen-bonded Turntrans-62137.5174.9-164.2-174.6-51.600111.5L59 K60 R65 N88 L95L59-M63 PolarHBondContact O-N 3.03Å; K60-M63 PolarHBondContact O-N 2.77Å; M63-R65 PolarHBondContact O-N 3.2Å; M63-N88 HydrophobicContact SD-CB 4.36Å; M63-N88 PolarHBondContact SD-ND2 3.19Å; M63-L95 HydrophobicContact CE-CD1 4.12Å; M63-L95 HydrophobicContact CE-CD2 3.85Å; M63-L95 HydrophobicContact CG-CD2 4.25Å; M63-L95 HydrophobicContact SD-CD2 4.19Å
64E93.4Very high93.4Very high94 Ų9450 Ų5044%0.43925%0.245SC..THydrogen-bonded Turntrans55.919.9-173.3-49-56.5149.200114.6P86 S87 N88E64-P86 PolarHBondContact N-O 2.85Å; E64-S87 VanDerWaalsContact CD-OG 3.28Å; E64-S87 WeakPolarHBondContact OE1-CA 3.47Å; E64-S87 WeakPolarHBondContact OE1-CB 3.34Å; E64-S87 PolarHBondContact OE1-OG 2.82Å; E64-S87 WeakPolarHBondContact OE2-CB 3.44Å; E64-S87 PolarHBondContact OE2-OG 3.5Å; E64-N88 PolarHBondContact OE1-N 3.28Å
65R95.1Very high93Very high146 Ų14648.2 Ų48.255%0.55124%0.236SC*.SBendtrans-121.7142.6177.5-176.1179.3172.4-145.1-1.9110.7N62 M63 P86N62-R65 HydrophobicContact CB-CB 4.47Å; N62-R65 PolarHBondContact O-N 3.28Å; N62-R65 PolarHBondContact OD1-NH1 2.97Å; M63-R65 PolarHBondContact O-N 3.2Å; R65-P86 VanDerWaalsContact O-CD 3.23Å; R65-P86 WeakPolarHBondContact O-CD 3.37Å
66A94.6Very high92.7Very high45 Ų4551.7 Ų51.737%0.37226%0.258SS..  trans-65.7129.6170.300000111.6E83 V85A66-E83 HydrophobicContact CB-CG 3.93Å; A66-E83 VanDerWaalsContact CB-OE1 3.22Å; A66-E83 WeakPolarHBondContact CB-OE1 3.46Å; A66-V85 HydrophobicContact CB-CG2 4.18Å
67V95.6Very high92.4Very high3 Ų350.5 Ų50.52%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-127.8138.3179.1-166.80000110.2L43 D44 N62 E83 V84 P86L43-V67 HydrophobicContact CD2-CG1 3.7Å; L43-V67 HydrophobicContact CG-CG1 3.81Å; D44-V67 HydrophobicContact CB-CG1 3.65Å; N62-V67 HydrophobicContact CB-CG2 3.23Å; V67-E83 WeakPolarHBondContact O-CA 3.33Å; V67-V84 PolarHBondContact N-O 2.93Å; V67-V84 PolarHBondContact O-N 2.64Å; V67-P86 HydrophobicContact CG2-CG 4.38Å
68R95.5Very high92.1Very high85 Ų8546.4 Ų46.432%0.32125%0.247SC..EExtended strand (participates in β ladder)trans-80.8131172.9-160.1172.374.4112.519.6110.2D44 N45 E70 E81D44-R68 PolarHBondContact N-O 2.92Å; N45-R68 VanDerWaalsContact CG-NH2 3.29Å; N45-R68 PolarHBondContact ND2-NH2 3.42Å; N45-R68 VanDerWaalsContact ND2-NH2 3.12Å; N45-R68 PolarHBondContact OD1-NE 2.93Å; N45-R68 PolarHBondContact OD1-NH2 2.92Å; R68-E70 IonicContact NH2-OE1 3.49Å; R68-E70 PolarHBondContact NH2-OE1 3.27Å; R68-E81 WeakPolarHBondContact CD-OE2 3.16Å; R68-E81 IonicContact CZ-OE1 2.68Å; R68-E81 IonicContact CZ-OE2 2.69Å; R68-E81 IonicContact NE-OE2 3.52Å; R68-E81 IonicContact NH1-OE1 3.37Å; R68-E81 PolarHBondContact NH1-OE1 3.25Å; R68-E81 IonicContact NH1-OE2 3.52Å; R68-E81 PolarHBondContact NH1-OE2 2.86Å
69M95.3Very high92Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-131.5124.7-174.8-179.6176.356.100109.2L33 I40 S42 L43 V71 L82 V84L33-M69 HydrophobicContact CD1-CE 3.89Å; L33-M69 HydrophobicContact CD1-SD 4.44Å; L33-M69 HydrophobicContact CD2-CE 3.8Å; L33-M69 HydrophobicContact CG-CE 3.87Å; I40-M69 HydrophobicContact CD1-SD 3.99Å; I40-M69 HydrophobicContact CG1-SD 4.08Å; I40-M69 HydrophobicContact CG2-CG 3.7Å; I40-M69 HydrophobicContact CG2-SD 3.84Å; S42-M69 WeakPolarHBondContact O-CA 3.41Å; L43-M69 HydrophobicContact CD1-CB 4.43Å; L43-M69 HydrophobicContact CD1-CG 4.24Å; L43-M69 HydrophobicContact CD1-SD 4.19Å; M69-V71 HydrophobicContact CE-CG2 4.06Å; M69-V71 HydrophobicContact CG-CG2 3.86Å; M69-V71 HydrophobicContact SD-CG2 4.27Å; M69-L82 HydrophobicContact CE-CB 4.08Å; M69-L82 HydrophobicContact CE-CD1 4.18Å; M69-L82 PolarHBondContact N-O 2.84Å; M69-L82 PolarHBondContact O-N 3.27Å; M69-V84 HydrophobicContact CB-CG1 4.32Å; M69-V84 HydrophobicContact CE-CB 4.17Å; M69-V84 HydrophobicContact CE-CG1 4.01Å; M69-V84 HydrophobicContact SD-CG1 4.21Å
70E94.8Very high92Very high49 Ų4951.2 Ų51.223%0.22927%0.27CS..EExtended strand (participates in β ladder)trans-93.2128.3175.7-67.5162-177.800109.5L41 S42 R68 V79 E81L41-E70 PolarHBondContact N-O 3.39Å; S42-E70 WeakPolarHBondContact CB-OE2 3.44Å; S42-E70 PolarHBondContact N-O 2.84Å; S42-E70 PolarHBondContact O-N 3.44Å; S42-E70 VanDerWaalsContact OG-CB 3.29Å; S42-E70 WeakPolarHBondContact OG-CB 3.5Å; S42-E70 WeakPolarHBondContact OG-CG 3.37Å; S42-E70 PolarHBondContact OG-OE2 3.48Å; R68-E70 IonicContact NH2-OE1 3.49Å; R68-E70 PolarHBondContact NH2-OE1 3.27Å; E70-V79 HydrophobicContact CB-CG1 4.13Å; E70-E81 HydrophobicContact CG-CG 4.2Å
71V94.9Very high92Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-130.9122.5-173.1-178.10000110L33 D38 F39 M69 V79 R80 L82L33-V71 HydrophobicContact CD2-CG1 4.06Å; L33-V71 HydrophobicContact CD2-CG2 3.81Å; D38-V71 HydrophobicContact CB-CG1 3.46Å; D38-V71 VanDerWaalsContact CB-CG1 3.46Å; D38-V71 VanDerWaalsContact CG-CG1 3.44Å; F39-V71 CarbonylContact O-C 3.54Å; F39-V71 WeakPolarHBondContact O-CA 3.46Å; M69-V71 HydrophobicContact CE-CG2 4.06Å; M69-V71 HydrophobicContact CG-CG2 3.86Å; M69-V71 HydrophobicContact SD-CG2 4.27Å; V71-V79 CarbonylContact O-C 3.55Å; V71-V79 WeakPolarHBondContact O-CA 3.29Å; V71-R80 PolarHBondContact N-O 3.26Å; V71-R80 PolarHBondContact O-N 3.42Å; V71-L82 HydrophobicContact CB-CD1 4.34Å; V71-L82 HydrophobicContact CG2-CD1 3.89Å; V71-L82 HydrophobicContact CG2-CG 4.39Å
72Y92.9Very high92.1Very high25 Ų2549 Ų4910%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-83.7128.9169.2175.2-98.4000110.1D38 F39 T74 G78 V79 Y105D38-Y72 WeakPolarHBondContact CA-O 3.4Å; F39-Y72 HydrophobicContact CD2-CD1 4.27Å; F39-Y72 PolarHBondContact N-O 3.13Å; F39-Y72 PolarHBondContact O-N 2.71Å; Y72-T74 HydrophobicContact CD1-CG2 4.47Å; Y72-T74 HydrophobicContact CE1-CG2 3.91Å; Y72-G78 WeakPolarHBondContact CA-O 3.45Å; Y72-V79 HydrophobicContact CD2-CG2 4.16Å; Y72-Y105 AromaticContact CD1-CD2 3.58Å; Y72-Y105 HydrophobicContact CD1-CD2 3.58Å; Y72-Y105 HydrophobicContact CD1-CE2 4.29Å; Y72-Y105 AromaticContact CD1-CG 3.74Å; Y72-Y105 HydrophobicContact CD1-CG 3.74Å; Y72-Y105 HydrophobicContact CD2-CD2 4.45Å; Y72-Y105 HydrophobicContact CD2-CE2 4.41Å; Y72-Y105 AromaticContact CE1-CD2 3.5Å; Y72-Y105 HydrophobicContact CE1-CD2 3.5Å; Y72-Y105 HydrophobicContact CE1-CE2 4.29Å; Y72-Y105 HydrophobicContact CE1-CG 4.02Å; Y72-Y105 HydrophobicContact CE2-CD2 4.4Å; Y72-Y105 HydrophobicContact CE2-CE2 4.41Å; Y72-Y105 HydrophobicContact CG-CD2 4.07Å; Y72-Y105 HydrophobicContact CG-CE2 4.34Å; Y72-Y105 HydrophobicContact CG-CG 4.33Å; Y72-Y105 AromaticContact CZ-CD2 3.94Å
73S91Very high92.2Very high2 Ų255.2 Ų55.21%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-103.6129.5174.1-168.30000111.3F37 K75 T77 G78F37-S73 CarbonylContact O-C 3.6Å; F37-S73 WeakPolarHBondContact O-CA 3.1Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact OG-N 3.48Å; S73-T77 VanDerWaalsContact O-CA 3.3Å; S73-T77 WeakPolarHBondContact O-CA 3.46Å; S73-T77 PolarHBondContact O-N 3.37Å; S73-G78 PolarHBondContact N-O 3.22Å; S73-G78 PolarHBondContact O-N 2.83Å
74T87.8Confident92.3Very high14 Ų1451.7 Ų51.79%0.08626%0.26CS..THydrogen-bonded Turntrans-74.3-17.5170.656.70000113.1F37 F39 Y72 A108F37-T74 WeakPolarHBondContact CA-OG1 3.24Å; F37-T74 WeakPolarHBondContact CD1-OG1 3.48Å; F37-T74 PolarHBondContact O-N 3.48Å; F37-T74 PolarHBondContact O-OG1 3.04Å; F39-T74 HydrophobicContact CD2-CG2 4.16Å; F39-T74 HydrophobicContact CE2-CG2 3.62Å; Y72-T74 HydrophobicContact CD1-CG2 4.47Å; Y72-T74 HydrophobicContact CE1-CG2 3.91Å; T74-A108 HydrophobicContact CG2-CB 4.16Å
75K83.4Confident92.4Very high26 Ų2650.2 Ų50.211%0.11326%0.257CS..THydrogen-bonded Turntrans-68.1-49.7172.1-75.7-173.3170.8177.70111.9F37 S73 D171F37-K75 HydrophobicContact CB-CG 4.07Å; F37-K75 HydrophobicContact CD1-CD 4.2Å; F37-K75 HydrophobicContact CD1-CG 3.4Å; F37-K75 VanDerWaalsContact CD1-CG 3.4Å; F37-K75 HydrophobicContact CD2-CD 4.23Å; F37-K75 HydrophobicContact CD2-CG 4.3Å; F37-K75 HydrophobicContact CE1-CD 4.49Å; F37-K75 HydrophobicContact CE1-CG 3.85Å; F37-K75 VanDerWaalsContact CE2-CE 3.45Å; F37-K75 HydrophobicContact CG-CD 4.03Å; F37-K75 HydrophobicContact CG-CG 3.64Å; F37-K75 HydrophobicContact CZ-CG 4.47Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact OG-N 3.48Å; K75-D171 IonicContact NZ-OD1 3.2Å; K75-D171 PolarHBondContact NZ-OD1 3.23Å; K75-D171 IonicContact NZ-OD2 2.74Å; K75-D171 PolarHBondContact NZ-OD2 3.23Å
76T84.4Confident92.4Very high81 Ų8143.3 Ų43.350%0.49723%0.231SC..THydrogen-bonded Turntrans-97.1-5.2-175.563.10000113.4G78T76-G78 PolarHBondContact O-N 3.08Å
77T85.6Confident92.4Very high76 Ų7641.9 Ų41.947%0.46622%0.218SC..THydrogen-bonded Turntrans5143.7-175.451.60000112.5S73S73-T77 VanDerWaalsContact O-CA 3.3Å; S73-T77 WeakPolarHBondContact O-CA 3.46Å; S73-T77 PolarHBondContact O-N 3.37Å
78G88.1Confident92.3Very high26 Ų2646.6 Ų46.627%0.26824%0.243SC..EExtended strand (participates in β ladder)trans-154.3160.2-173.700000113.1Y72 S73 T76Y72-G78 WeakPolarHBondContact CA-O 3.45Å; S73-G78 PolarHBondContact N-O 3.22Å; S73-G78 PolarHBondContact O-N 2.83Å; T76-G78 PolarHBondContact O-N 3.08Å
79V91.5Very high92.1Very high68 Ų6849.8 Ų49.841%0.41226%0.264SS..EExtended strand (participates in β ladder)trans-90.1135.9175.5-174.80000109.5P10 L41 E70 V71 Y72P10-V79 HydrophobicContact CG-CG2 4.1Å; L41-V79 HydrophobicContact CD1-CG2 3.95Å; E70-V79 HydrophobicContact CB-CG1 4.13Å; V71-V79 CarbonylContact O-C 3.55Å; V71-V79 WeakPolarHBondContact O-CA 3.29Å; Y72-V79 HydrophobicContact CD2-CG2 4.16Å
80R93.2Very high92Very high65 Ų6552 Ų5225%0.24527%0.272CS..EExtended strand (participates in β ladder)trans-126.8150.1170.571.6-173.4-168.2-76.48.1110.7G32 D38 V71 L82G32-R80 PolarHBondContact O-NH2 2.87Å; D38-R80 IonicContact OD1-CZ 3.6Å; D38-R80 IonicContact OD1-NH1 2.68Å; D38-R80 PolarHBondContact OD1-NH1 2.85Å; D38-R80 IonicContact OD1-NH2 3.93Å; D38-R80 PolarHBondContact OD1-NH2 2.83Å; D38-R80 IonicContact OD2-CZ 2.71Å; D38-R80 IonicContact OD2-NH1 2.72Å; D38-R80 PolarHBondContact OD2-NH1 3.15Å; D38-R80 IonicContact OD2-NH2 3.65Å; D38-R80 PolarHBondContact OD2-NH2 2.89Å; V71-R80 PolarHBondContact N-O 3.26Å; V71-R80 PolarHBondContact O-N 3.42Å; R80-L82 HydrophobicContact CG-CD2 4.3Å; R80-L82 HydrophobicContact CG-CG 4.37Å
81E94.4Very high91.8Very high111 Ų11153.2 Ų53.252%0.51930%0.299SS..EExtended strand (participates in β ladder)trans-92.4134.6172.2-62-173.7-176.600109.7R68 E70R68-E81 WeakPolarHBondContact CD-OE2 3.16Å; R68-E81 IonicContact CZ-OE1 2.68Å; R68-E81 IonicContact CZ-OE2 2.69Å; R68-E81 IonicContact NE-OE2 3.52Å; R68-E81 IonicContact NH1-OE1 3.37Å; R68-E81 PolarHBondContact NH1-OE1 3.25Å; R68-E81 IonicContact NH1-OE2 3.52Å; R68-E81 PolarHBondContact NH1-OE2 2.86Å; E70-E81 HydrophobicContact CG-CG 4.2Å
82L94.9Very high91.7Very high27 Ų2755 Ų5514%0.14132%0.317CS..EExtended strand (participates in β ladder)trans-123.5150.5174.5-59.4178.8000109.5L33 M69 V71 R80L33-L82 HydrophobicContact CD2-CD1 3.89Å; L33-L82 HydrophobicContact CG-CD1 4.31Å; M69-L82 HydrophobicContact CE-CB 4.08Å; M69-L82 HydrophobicContact CE-CD1 4.18Å; M69-L82 PolarHBondContact N-O 2.84Å; M69-L82 PolarHBondContact O-N 3.27Å; V71-L82 HydrophobicContact CB-CD1 4.34Å; V71-L82 HydrophobicContact CG2-CD1 3.89Å; V71-L82 HydrophobicContact CG2-CG 4.39Å; R80-L82 HydrophobicContact CG-CD2 4.3Å; R80-L82 HydrophobicContact CG-CG 4.37Å
83E95.7Very high91.6Very high141 Ų14161.5 Ų61.566%0.65935%0.348SS*.EExtended strand (participates in β ladder)trans-103.3128.1169-170.5179.5131.300108.8A31 A66 V67A31-E83 WeakPolarHBondContact CB-O 3.33Å; A66-E83 HydrophobicContact CB-CG 3.93Å; A66-E83 VanDerWaalsContact CB-OE1 3.22Å; A66-E83 WeakPolarHBondContact CB-OE1 3.46Å; V67-E83 WeakPolarHBondContact O-CA 3.33Å
84V95.4Very high91.6Very high2 Ų263.7 Ų63.71%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-130.7142.5178.666.40000110.7P27 A31 V67 M69 P86 L96P27-V84 HydrophobicContact CB-CG2 4.15Å; A31-V84 HydrophobicContact CB-CB 3.83Å; A31-V84 HydrophobicContact CB-CG2 3.84Å; V67-V84 PolarHBondContact N-O 2.93Å; V67-V84 PolarHBondContact O-N 2.64Å; M69-V84 HydrophobicContact CB-CG1 4.32Å; M69-V84 HydrophobicContact CE-CB 4.17Å; M69-V84 HydrophobicContact CE-CG1 4.01Å; M69-V84 HydrophobicContact SD-CG1 4.21Å; V84-P86 WeakPolarHBondContact O-CD 3.46Å; V84-L96 HydrophobicContact CG2-CD1 3.53Å
85V95.9Very high91.9Very high63 Ų6364.7 Ų64.738%0.38238%0.376SS..  trans-112.695.8176.9-175.80000108.3P27 A66 S87P27-V85 WeakPolarHBondContact CB-O 3.35Å; A66-V85 HydrophobicContact CB-CG2 4.18Å; V85-S87 PolarHBondContact O-N 3.47Å
86P94.7Very high92.4Very high0 Ų063.9 Ų63.90%037%0.373CS..  trans-62.5129.9176.8-17.231.4000109.3L59 E64 R65 V67 V84 L95L59-P86 HydrophobicContact CD2-CB 3.96Å; L59-P86 HydrophobicContact CD2-CG 3.55Å; E64-P86 PolarHBondContact N-O 2.85Å; R65-P86 VanDerWaalsContact O-CD 3.23Å; R65-P86 WeakPolarHBondContact O-CD 3.37Å; V67-P86 HydrophobicContact CG2-CG 4.38Å; V84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-L95 CarbonylContact C-O 3.59Å; P86-L95 WeakPolarHBondContact CA-O 3.29Å; P86-L95 HydrophobicContact CB-CB 4.08Å
87S94.4Very high92.8Very high15 Ų1560.2 Ų60.211%0.10535%0.35CS..  trans-139.7151.1-174.6179.80000111.9E64 V85 M89 W90 L95E64-S87 VanDerWaalsContact CD-OG 3.28Å; E64-S87 WeakPolarHBondContact OE1-CA 3.47Å; E64-S87 WeakPolarHBondContact OE1-CB 3.34Å; E64-S87 PolarHBondContact OE1-OG 2.82Å; E64-S87 WeakPolarHBondContact OE2-CB 3.44Å; E64-S87 PolarHBondContact OE2-OG 3.5Å; V85-S87 PolarHBondContact O-N 3.47Å; S87-M89 PolarHBondContact OG-N 3.06Å; S87-M89 VanDerWaalsContact OG-N 3.08Å; S87-W90 PolarHBondContact O-NE1 2.75Å; S87-W90 VanDerWaalsContact O-NE1 3.14Å; S87-L95 PolarHBondContact N-O 2.94Å; S87-L95 WeakPolarHBondContact O-CA 3.47Å
88N94.1Very high93.1Very high102 Ų10257.7 Ų57.755%0.54534%0.338SS..SBendtrans-97.1-1116877.643.5000113.2M63 E64 L95M63-N88 HydrophobicContact SD-CB 4.36Å; M63-N88 PolarHBondContact SD-ND2 3.19Å; E64-N88 PolarHBondContact OE1-N 3.28Å; N88-L95 HydrophobicContact CB-CD2 4.24Å
89M92.4Very high93.2Very high153 Ų15360 Ų6075%0.75435%0.349SS*.THydrogen-bonded Turntrans-90.9-3.8-167.3-61.5-171.564.800114.6S87 G91S87-M89 PolarHBondContact OG-N 3.06Å; S87-M89 VanDerWaalsContact OG-N 3.08Å; M89-G91 VanDerWaalsContact C-N 3.32Å; M89-G91 PolarHBondContact O-N 3.5Å
90W92.9Very high93.1Very high45 Ų4559 Ų5917%0.1734%0.344CS..THydrogen-bonded Turntrans-81.3-6.7-176.267.8-83.5000114.6Q23 P27 S87 G92 G94 G97Q23-W90 HydrophobicContact CB-CH2 3.81Å; Q23-W90 HydrophobicContact CB-CZ3 3.95Å; Q23-W90 HydrophobicContact CG-CH2 4.37Å; P27-W90 HydrophobicContact CG-CG 4.26Å; S87-W90 PolarHBondContact O-NE1 2.75Å; S87-W90 VanDerWaalsContact O-NE1 3.14Å; W90-G92 VanDerWaalsContact CH2-CA 3.46Å; W90-G94 WeakPolarHBondContact CZ2-O 3.35Å; W90-G94 PolarHBondContact NE1-O 3.28Å; W90-G97 VanDerWaalsContact CH2-CA 3.49Å
91G90.9Very high92.9Very high76 Ų7659.9 Ų59.978%0.78435%0.347SS*.SBendtrans89.7-1.316700000117.3M89M89-G91 VanDerWaalsContact C-N 3.32Å; M89-G91 PolarHBondContact O-N 3.5Å
92G91.5Very high92.6Very high37 Ų3756.1 Ų56.138%0.38133%0.329SS..SBendtrans-107.4-167.6174.500000114.5W90W90-G92 VanDerWaalsContact CH2-CA 3.46Å
93Q91.1Very high92.2Very high162 Ų16256.4 Ų56.476%0.75733%0.333SS*.SBendtrans-85.7122.5-176-178.7-179.9-23.200112.2Q23Q23-Q93 PolarHBondContact NE2-O 3.47Å
94G91.8Very high91.8Very high48 Ų4851.4 Ų51.450%0.49531%0.313SS..SBendtrans88.7170.8172.900000114.2W90W90-G94 WeakPolarHBondContact CZ2-O 3.35Å; W90-G94 PolarHBondContact NE1-O 3.28Å
95L93.5Very high91.3Very high35 Ų3551.8 Ų51.818%0.18332%0.315CS..SBendtrans-77.6-28.1-175.7-60.4177.9000113.5L59 K60 M63 P86 S87 N88L59-L95 HydrophobicContact CB-CD1 4.21Å; L59-L95 WeakPolarHBondContact O-CD1 3.32Å; K60-L95 HydrophobicContact CB-CD1 4.32Å; K60-L95 HydrophobicContact CG-CD1 3.79Å; M63-L95 HydrophobicContact CE-CD1 4.12Å; M63-L95 HydrophobicContact CE-CD2 3.85Å; M63-L95 HydrophobicContact CG-CD2 4.25Å; M63-L95 HydrophobicContact SD-CD2 4.19Å; P86-L95 CarbonylContact C-O 3.59Å; P86-L95 WeakPolarHBondContact CA-O 3.29Å; P86-L95 HydrophobicContact CB-CB 4.08Å; S87-L95 PolarHBondContact N-O 2.94Å; S87-L95 WeakPolarHBondContact O-CA 3.47Å; N88-L95 HydrophobicContact CB-CD2 4.24Å
96L93.9Very high90.8Very high9 Ų955.2 Ų55.25%0.04733%0.327CS..SBendtrans-104.6-28.5-177.7179.657.5000112.2P27 A28 L33 I40 L59 V84 A98P27-L96 HydrophobicContact CB-CD1 4.49Å; A28-L96 HydrophobicContact CB-CD1 3.82Å; A28-L96 HydrophobicContact CB-CG 3.99Å; A28-L96 VanDerWaalsContact CB-O 3.23Å; A28-L96 WeakPolarHBondContact CB-O 3.47Å; A28-L96 PolarHBondContact N-O 3.17Å; L33-L96 HydrophobicContact CD1-CD1 4.42Å; L33-L96 HydrophobicContact CD1-CD2 4.45Å; I40-L96 HydrophobicContact CD1-CD2 4.22Å; L59-L96 HydrophobicContact CD1-CB 4.17Å; L59-L96 HydrophobicContact CD1-CD2 4.29Å; L59-L96 HydrophobicContact CD2-CB 4.43Å; V84-L96 HydrophobicContact CG2-CD1 3.53Å; L96-A98 HydrophobicContact CD2-CB 4.1Å; L96-A98 HydrophobicContact CG-CB 4.02Å; L96-A98 PolarHBondContact O-N 2.99Å
97G93.1Very high89.9Confident3 Ų356.1 Ų56.13%0.03134%0.335CS..  trans74.26.4-174.700000115.5Q23 W90Q23-G97 WeakPolarHBondContact CB-O 3.42Å; Q23-G97 PolarHBondContact N-O 2.85Å; Q23-G97 PolarHBondContact NE2-O 3.08Å; Q23-G97 VanDerWaalsContact NE2-O 3.17Å; W90-G97 VanDerWaalsContact CH2-CA 3.49Å
98A92.2Very high89.3Confident24 Ų2456 Ų5620%0.19834%0.335CS..EExtended strand (participates in β ladder)trans-95.1145.1171.700000112.2V19 G21 I22 A28 L96 V100V19-A98 HydrophobicContact CG1-CB 4.3Å; G21-A98 CarbonylContact O-C 3.58Å; G21-A98 VanDerWaalsContact O-CA 3.32Å; G21-A98 WeakPolarHBondContact O-CA 3.21Å; I22-A98 HydrophobicContact CG1-CB 4.37Å; A28-A98 HydrophobicContact CB-CB 3.89Å; L96-A98 HydrophobicContact CD2-CB 4.1Å; L96-A98 HydrophobicContact CG-CB 4.02Å; L96-A98 PolarHBondContact O-N 2.99Å; A98-V100 HydrophobicContact CB-CG1 4.2Å
99S88.7Confident88.7Confident73 Ų7353.9 Ų53.951%0.5132%0.324SS..EExtended strand (participates in β ladder)trans-93.3127.8162.5-174.10000108.7H20 G21H20-S99 PolarHBondContact N-O 3.43Å; G21-S99 PolarHBondContact N-O 2.68Å; G21-S99 PolarHBondContact O-N 3.45Å
100V90.3Very high88.3Confident49 Ų4950.4 Ų50.430%0.29731%0.306SS..EExtended strand (participates in β ladder)trans-134.2153.6-173.5-610000112.4Y17 H18 V19 I40 L55 A98Y17-V100 HydrophobicContact CD1-CB 4.46Å; Y17-V100 HydrophobicContact CD1-CG2 4.02Å; H18-V100 CarbonylContact O-C 3.59Å; H18-V100 WeakPolarHBondContact O-CA 3.41Å; V19-V100 HydrophobicContact CG2-CG1 4.24Å; I40-V100 HydrophobicContact CD1-CG1 4.24Å; L55-V100 HydrophobicContact CD2-CG2 4.02Å; A98-V100 HydrophobicContact CB-CG1 4.2Å
101R88.5Confident88Confident82 Ų8250.1 Ų50.131%0.30931%0.308SS..EExtended strand (participates in β ladder)trans-134.9140.2175.7-175.1-176.7-162.9136.619.4110.2Y17 H18 H20 C103 V142Y17-R101 CarbonylContact C-O 3.59Å; Y17-R101 WeakPolarHBondContact CA-O 3.38Å; H18-R101 PolarHBondContact N-O 2.84Å; H18-R101 PolarHBondContact O-N 2.85Å; H20-R101 VanDerWaalsContact CD2-CB 3.49Å; H20-R101 WeakPolarHBondContact CD2-CB 3.47Å; H20-R101 VanDerWaalsContact NE2-CB 3.27Å; H20-R101 WeakPolarHBondContact NE2-CB 3.33Å; R101-C103 PolarHBondContact O-N 3.49Å; R101-V142 VanDerWaalsContact CZ-CG2 3.45Å
102F89.1Confident88Confident32 Ų3246.6 Ų46.614%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-77.8121.1171.2-172.2-97.3000110.8Y15 Y17 S49 E51Y15-F102 VanDerWaalsContact CB-CZ 3.44Å; Y15-F102 AromaticContact CD1-CE1 3.79Å; Y15-F102 HydrophobicContact CD1-CE1 3.79Å; Y15-F102 HydrophobicContact CD1-CZ 4.09Å; Y15-F102 HydrophobicContact CG-CE1 4.21Å; Y15-F102 HydrophobicContact CG-CZ 4.04Å; Y17-F102 HydrophobicContact CD1-CB 4.26Å; Y17-F102 HydrophobicContact CD2-CD2 4.1Å; Y17-F102 HydrophobicContact CE1-CB 3.97Å; Y17-F102 HydrophobicContact CE1-CD2 4.34Å; Y17-F102 AromaticContact CE2-CD2 3.78Å; Y17-F102 HydrophobicContact CE2-CD2 3.78Å; Y17-F102 HydrophobicContact CE2-CE2 4.43Å; Y17-F102 HydrophobicContact CG-CD2 4.49Å; Y17-F102 AromaticContact CZ-CD2 3.9Å; S49-F102 VanDerWaalsContact C-CZ 3.49Å; S49-F102 VanDerWaalsContact O-CZ 3.3Å; S49-F102 WeakPolarHBondContact O-CZ 3.39Å; E51-F102 HydrophobicContact CB-CB 3.78Å; E51-F102 HydrophobicContact CB-CD1 3.69Å; E51-F102 HydrophobicContact CB-CE1 4.44Å; E51-F102 HydrophobicContact CB-CG 3.75Å; E51-F102 HydrophobicContact CG-CB 3.82Å; E51-F102 HydrophobicContact CG-CG 4.36Å
103C86.6Confident88.2Confident34 Ų3444.9 Ų44.923%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-159.3176.417365.40000112.6Y15 G16 H18 R101Y15-C103 WeakPolarHBondContact CA-O 3.16Å; G16-C103 PolarHBondContact N-O 2.89Å; G16-C103 VanDerWaalsContact N-O 3.09Å; G16-C103 PolarHBondContact O-N 2.83Å; G16-C103 VanDerWaalsContact O-O 3.06Å; H18-C103 VanDerWaalsContact CB-SG 3.54Å; R101-C103 PolarHBondContact O-N 3.49Å
104S86.9Confident88.4Confident35 Ų3538 Ų3825%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-74.6134.1173.8174.70000110.5T14 Q106T14-S104 WeakPolarHBondContact O-CA 3.23Å; T14-S104 PolarHBondContact O-OG 3.1Å; S104-Q106 VanDerWaalsContact OG-CB 3.32Å; S104-Q106 WeakPolarHBondContact OG-CB 3.43Å; S104-Q106 PolarHBondContact OG-N 2.82Å; S104-Q106 VanDerWaalsContact OG-N 3.12Å; S104-Q106 PolarHBondContact OG-O 2.84Å
105Y85.2Confident88.7Confident11 Ų1135.7 Ų35.74%0.04320%0.197CC..  trans-85.5-13.9168.161.7-99.8000112.5G13 T14 L41 Y72 G107 A108G13-Y105 PolarHBondContact O-OH 2.96Å; T14-Y105 VanDerWaalsContact C-CD1 3.47Å; T14-Y105 WeakPolarHBondContact O-CD1 3.43Å; T14-Y105 WeakPolarHBondContact O-CE1 3.35Å; T14-Y105 PolarHBondContact O-N 3.48Å; L41-Y105 HydrophobicContact CD1-CE1 4.44Å; L41-Y105 HydrophobicContact CD2-CD1 3.77Å; L41-Y105 HydrophobicContact CD2-CE1 3.6Å; Y72-Y105 AromaticContact CD1-CD2 3.58Å; Y72-Y105 HydrophobicContact CD1-CD2 3.58Å; Y72-Y105 HydrophobicContact CD1-CE2 4.29Å; Y72-Y105 AromaticContact CD1-CG 3.74Å; Y72-Y105 HydrophobicContact CD1-CG 3.74Å; Y72-Y105 HydrophobicContact CD2-CD2 4.45Å; Y72-Y105 HydrophobicContact CD2-CE2 4.41Å; Y72-Y105 AromaticContact CE1-CD2 3.5Å; Y72-Y105 HydrophobicContact CE1-CD2 3.5Å; Y72-Y105 HydrophobicContact CE1-CE2 4.29Å; Y72-Y105 HydrophobicContact CE1-CG 4.02Å; Y72-Y105 HydrophobicContact CE2-CD2 4.4Å; Y72-Y105 HydrophobicContact CE2-CE2 4.41Å; Y72-Y105 HydrophobicContact CG-CD2 4.07Å; Y72-Y105 HydrophobicContact CG-CE2 4.34Å; Y72-Y105 HydrophobicContact CG-CG 4.33Å; Y72-Y105 AromaticContact CZ-CD2 3.94Å; Y105-G107 PolarHBondContact O-N 3.41Å; Y105-A108 WeakPolarHBondContact O-CB 3.48Å; Y105-A108 PolarHBondContact O-N 3.44Å
106Q84.5Confident88.8Confident135 Ų13535.9 Ų35.963%0.63120%0.198SC*.THydrogen-bonded Turntrans-65.8122171.8-16767.943.500109.2T14 S104 A108T14-Q106 HydrophobicContact CG2-CB 4.39Å; S104-Q106 VanDerWaalsContact OG-CB 3.32Å; S104-Q106 WeakPolarHBondContact OG-CB 3.43Å; S104-Q106 PolarHBondContact OG-N 2.82Å; S104-Q106 VanDerWaalsContact OG-N 3.12Å; S104-Q106 PolarHBondContact OG-O 2.84Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 3.27Å
107G77Confident89Confident18 Ų1840.3 Ų40.319%0.18622%0.222CC..THydrogen-bonded Turntrans83.7-6.5-178.700000115.2Y105 N109 E110 N111Y105-G107 PolarHBondContact O-N 3.41Å; G107-N109 PolarHBondContact O-N 2.72Å; G107-E110 WeakPolarHBondContact O-CA 3.22Å; G107-E110 WeakPolarHBondContact O-CB 3.49Å; G107-E110 WeakPolarHBondContact O-CG 3.48Å; G107-E110 PolarHBondContact O-N 2.89Å; G107-N111 PolarHBondContact O-N 2.83Å; G107-N111 PolarHBondContact O-OD1 2.8Å
108A79.9Confident89.2Confident12 Ų1241.9 Ų41.910%0.09923%0.231CC..THydrogen-bonded Turntrans-62.7-21.1-175.400000114.6F36 F39 T74 Y105 Q106 E110F36-A108 WeakPolarHBondContact CZ-O 3.41Å; F39-A108 HydrophobicContact CE1-CB 4.41Å; F39-A108 HydrophobicContact CE2-CB 3.99Å; F39-A108 HydrophobicContact CZ-CB 3.47Å; F39-A108 VanDerWaalsContact CZ-CB 3.47Å; T74-A108 HydrophobicContact CG2-CB 4.16Å; Y105-A108 WeakPolarHBondContact O-CB 3.48Å; Y105-A108 PolarHBondContact O-N 3.44Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 3.27Å; A108-E110 VanDerWaalsContact C-N 3.31Å
109N82Confident89.5Confident58 Ų5845 Ų4531%0.3124%0.241SC..THydrogen-bonded Turntrans-83.6-2.8173.166.3-34.4000114G107 R201G107-N109 PolarHBondContact O-N 2.72Å; N109-R201 WeakPolarHBondContact O-CD 3.28Å
110E84.9Confident89.8Confident81 Ų8146.4 Ų46.438%0.37926%0.257SS..THydrogen-bonded Turntrans-100-32.6179-39.9-154.3132.200110.9G107 A108 V112 Y196 R201G107-E110 WeakPolarHBondContact O-CA 3.22Å; G107-E110 WeakPolarHBondContact O-CB 3.49Å; G107-E110 WeakPolarHBondContact O-CG 3.48Å; G107-E110 PolarHBondContact O-N 2.89Å; A108-E110 VanDerWaalsContact C-N 3.31Å; E110-V112 PolarHBondContact O-N 2.91Å; E110-Y196 VanDerWaalsContact O-CE2 3.27Å; E110-Y196 WeakPolarHBondContact O-CE2 3.25Å; E110-R201 IonicContact OE1-CZ 3.45Å; E110-R201 IonicContact OE1-NH1 2.96Å; E110-R201 PolarHBondContact OE1-NH1 3.21Å; E110-R201 IonicContact OE1-NH2 3.49Å; E110-R201 PolarHBondContact OE1-NH2 3.29Å; E110-R201 IonicContact OE2-NH2 3.46Å
111N87.3Confident90.1Very high38 Ų3846.5 Ų46.520%0.20327%0.268CS..SBendtrans-78.261.6-178.7-59.821.4000111.5G107 W113 L143 Q144G107-N111 PolarHBondContact O-N 2.83Å; G107-N111 PolarHBondContact O-OD1 2.8Å; N111-W113 VanDerWaalsContact C-CZ3 3.49Å; N111-W113 HydrophobicContact CB-CH2 4.06Å; N111-W113 HydrophobicContact CB-CZ3 4.44Å; N111-W113 WeakPolarHBondContact O-CZ3 3.33Å; N111-L143 PolarHBondContact ND2-O 2.87Å; N111-Q144 VanDerWaalsContact CG-O 3.3Å; N111-Q144 WeakPolarHBondContact ND2-CA 3.19Å; N111-Q144 PolarHBondContact ND2-O 3.3Å; N111-Q144 PolarHBondContact OD1-O 3.4Å
112V91Very high90.5Very high2 Ų242.6 Ų42.61%0.01225%0.253CS..  trans-137.9132.6-177.4-175.30000110.2F36 E110 Y135 V137 Y196 I202F36-V112 HydrophobicContact CE1-CG2 4.19Å; F36-V112 HydrophobicContact CZ-CG2 3.9Å; E110-V112 PolarHBondContact O-N 2.91Å; V112-Y135 HydrophobicContact CG1-CD1 3.75Å; V112-Y135 HydrophobicContact CG1-CG 4.22Å; V112-V137 HydrophobicContact CG1-CG1 3.97Å; V112-V137 HydrophobicContact CG2-CG1 4.29Å; V112-Y196 WeakPolarHBondContact O-CD2 3.39Å; V112-I202 HydrophobicContact CG1-CD1 4.17Å; V112-I202 HydrophobicContact CG1-CG1 4.14Å; V112-I202 HydrophobicContact CG2-CD1 4.35Å
113W94.4Very high90.9Very high1 Ų141.6 Ų41.60%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-111.4109.5-179.7-60-97.5000109.6N111 Y135 I136 L143 F149 I194 Y196N111-W113 VanDerWaalsContact C-CZ3 3.49Å; N111-W113 HydrophobicContact CB-CH2 4.06Å; N111-W113 HydrophobicContact CB-CZ3 4.44Å; N111-W113 WeakPolarHBondContact O-CZ3 3.33Å; W113-Y135 CarbonylContact O-C 3.47Å; W113-Y135 WeakPolarHBondContact O-CA 3.23Å; W113-I136 HydrophobicContact CB-CB 4.22Å; W113-I136 PolarHBondContact N-O 2.84Å; W113-I136 PolarHBondContact O-N 3.02Å; W113-L143 HydrophobicContact CE3-CD1 4.26Å; W113-L143 HydrophobicContact CH2-CB 3.35Å; W113-L143 HydrophobicContact CH2-CD1 3.9Å; W113-L143 HydrophobicContact CH2-CG 4.23Å; W113-L143 HydrophobicContact CZ2-CB 4.07Å; W113-L143 HydrophobicContact CZ2-CD1 4.5Å; W113-L143 HydrophobicContact CZ3-CB 3.91Å; W113-L143 HydrophobicContact CZ3-CD1 3.73Å; W113-L143 HydrophobicContact CZ3-CG 4.49Å; W113-F149 AromaticContact CD1-CD1 3.7Å; W113-F149 AromaticContact CD1-CG 3.84Å; W113-F149 HydrophobicContact CD2-CB 4.07Å; W113-F149 HydrophobicContact CD2-CD2 4.32Å; W113-F149 HydrophobicContact CD2-CG 4.07Å; W113-F149 HydrophobicContact CG-CB 4.38Å; W113-F149 HydrophobicContact CG-CD1 4.12Å; W113-F149 HydrophobicContact CG-CD2 4.45Å; W113-F149 HydrophobicContact CG-CG 4.04Å; W113-F149 HydrophobicContact CZ2-CB 3.9Å; W113-F149 VanDerWaalsContact NE1-CB 3.35Å; W113-F149 AromaticContact NE1-CD1 3.99Å; W113-F149 AromaticContact NE1-CG 3.78Å; W113-I194 HydrophobicContact CB-CG2 3.81Å; W113-I194 HydrophobicContact CG-CG2 4.26Å; W113-Y196 HydrophobicContact CG-CD2 4.49Å; W113-Y196 HydrophobicContact CZ2-CE2 4.33Å; W113-Y196 AromaticContact NE1-CD2 3.89Å
114H95.9Very high91.4Very high18 Ų1840 Ų408%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-78.7123.5-179.6-177.2-174.4000110L116 Y132 Y135 G195 H200H114-L116 PolarHBondContact O-N 2.75Å; H114-Y132 WeakPolarHBondContact NE2-CA 3.42Å; H114-Y132 PolarHBondContact NE2-O 2.73Å; H114-Y135 HydrophobicContact CB-CD1 3.91Å; H114-Y135 HydrophobicContact CB-CE1 3.81Å; H114-Y135 AromaticContact CD2-CE1 3.88Å; H114-Y135 AromaticContact CD2-CE2 3.98Å; H114-Y135 AromaticContact CD2-CZ 3.71Å; H114-Y135 AromaticContact CE1-CZ 3.96Å; H114-Y135 AromaticContact CG-CE1 3.62Å; H114-Y135 AromaticContact CG-CZ 3.86Å; H114-Y135 AromaticContact ND1-CE1 3.94Å; H114-Y135 AromaticContact ND1-CZ 3.99Å; H114-Y135 AromaticContact NE2-CZ 3.81Å; H114-G195 PolarHBondContact N-O 2.75Å; H114-G195 PolarHBondContact O-N 3.48Å; H114-H200 HydrophobicContact CB-CB 3.7Å; H114-H200 AromaticContact CG-ND1 3.84Å; H114-H200 AromaticContact ND1-ND1 3.27Å; H114-H200 PolarHBondContact ND1-ND1 2.93Å
115V97.3Very high91.9Very high0 Ų040.1 Ų40.10%024%0.242CC..EExtended strand (participates in β ladder)trans-74.6118.5173.7-1760000109.3V118 L129 Y132 D134 I136 C192V115-V118 HydrophobicContact CG1-CG2 3.52Å; V115-L129 HydrophobicContact CG1-CB 4.4Å; V115-Y132 WeakPolarHBondContact O-CA 3.41Å; V115-Y132 PolarHBondContact O-N 3.12Å; V115-D134 HydrophobicContact CB-CB 4.11Å; V115-D134 WeakPolarHBondContact CB-O 3.48Å; V115-D134 HydrophobicContact CG2-CB 3.88Å; V115-D134 PolarHBondContact N-O 2.72Å; V115-I136 HydrophobicContact CG2-CD1 4.08Å; V115-I136 HydrophobicContact CG2-CG1 4.13Å; V115-C192 HydrophobicContact CG1-CB 4.46Å
116L96.9Very high92.4Very high39 Ų3946.4 Ų46.420%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-92.6-131.5178.8-53.4-179.8000109.7H114 S131 Y132 G193H114-L116 PolarHBondContact O-N 2.75Å; L116-S131 WeakPolarHBondContact O-CA 2.95Å; L116-S131 WeakPolarHBondContact O-CB 3.09Å; L116-Y132 HydrophobicContact CB-CE1 4.44Å; L116-Y132 HydrophobicContact CD2-CD1 4.46Å; L116-Y132 HydrophobicContact CD2-CE1 4.37Å; L116-G193 WeakPolarHBondContact CB-O 3.46Å; L116-G193 PolarHBondContact N-O 3.46Å
117D97.1Very high93Very high101 Ų10141.1 Ų41.154%0.5426%0.256SS..EExtended strand (participates in β ladder)trans-61.4142.7173.6-59-61.1000111.6Y132 C192 G193D117-Y132 VanDerWaalsContact OD1-CE2 3.3Å; D117-Y132 WeakPolarHBondContact OD1-CE2 3.4Å; D117-Y132 PolarHBondContact OD1-OH 2.92Å; D117-Y132 PolarHBondContact OD2-OH 2.68Å; D117-C192 CarbonylContact O-C 3.6Å; D117-C192 WeakPolarHBondContact O-CA 3.48Å; D117-C192 VanDerWaalsContact O-CB 3.29Å; D117-C192 WeakPolarHBondContact O-CB 3.35Å; D117-G193 PolarHBondContact O-N 2.9Å
118V97.8Very high93.9Very high36 Ų3642 Ų4222%0.21827%0.265CS..EExtended strand (participates in β ladder)trans-124.8122.3177.7-179.80000107.8V115 A124 A125 C192V115-V118 HydrophobicContact CG1-CG2 3.52Å; V118-A124 HydrophobicContact CG1-CB 3.92Å; V118-A125 HydrophobicContact CG1-CB 3.91Å; V118-C192 HydrophobicContact CB-CB 4.31Å; V118-C192 HydrophobicContact CG1-CB 4.43Å; V118-C192 HydrophobicContact CG2-CB 3.87Å
119E97.4Very high94.7Very high91 Ų9142 Ų4243%0.42526%0.263SS..  trans-75.5144.4-178.3-72.3-168.2-117.200112.6G121 S122 A125 W184 G191E119-G121 PolarHBondContact O-N 3.23Å; E119-S122 WeakPolarHBondContact O-CB 3.32Å; E119-S122 PolarHBondContact O-N 2.85Å; E119-S122 PolarHBondContact O-OG 3.34Å; E119-A125 VanDerWaalsContact O-CB 3.3Å; E119-A125 WeakPolarHBondContact O-CB 3.16Å; E119-W184 HydrophobicContact CB-CH2 3.61Å; E119-W184 HydrophobicContact CB-CZ2 4.44Å; E119-W184 HydrophobicContact CB-CZ3 4.4Å; E119-W184 HydrophobicContact CG-CH2 4.23Å; E119-G191 PolarHBondContact N-O 3.25Å
120A96.5Very high95.4Very high101 Ų10142.6 Ų42.684%0.83526%0.264SS*.THydrogen-bonded Turntrans-69.1126.4-178.900000111.4S122A120-S122 VanDerWaalsContact C-N 3.28Å
121G94.9Very high96Very high51 Ų5141.5 Ų41.553%0.52627%0.265SS..THydrogen-bonded Turntrans804-177.300000114.7E119E119-G121 PolarHBondContact O-N 3.23Å
122S97.6Very high96.4Very high0 Ų045.7 Ų45.70%028%0.279CS..SBendtrans-70.5161.5174.577.20000113.1E119 A120 A124 A125 L126 W184 L190 G191E119-S122 WeakPolarHBondContact O-CB 3.32Å; E119-S122 PolarHBondContact O-N 2.85Å; E119-S122 PolarHBondContact O-OG 3.34Å; A120-S122 VanDerWaalsContact C-N 3.28Å; S122-A124 PolarHBondContact O-N 3.18Å; S122-A124 PolarHBondContact OG-N 2.95Å; S122-A125 PolarHBondContact O-N 3.48Å; S122-A125 PolarHBondContact OG-N 3.3Å; S122-A125 VanDerWaalsContact OG-N 3.17Å; S122-L126 WeakPolarHBondContact O-CG 3.32Å; S122-L126 PolarHBondContact O-N 3.32Å; S122-W184 VanDerWaalsContact CA-CZ3 3.46Å; S122-L190 WeakPolarHBondContact CB-O 3.48Å; S122-L190 PolarHBondContact OG-O 3.4Å; S122-G191 WeakPolarHBondContact CB-O 3.41Å; S122-G191 PolarHBondContact OG-O 2.93Å
123P97.4Very high96.6Very high11 Ų1146.4 Ų46.47%0.07128%0.284CS..Hα-helixtrans-50.8-39.1170.5-30.237.7000113.8L126 A127 V178 T179 N181 W184 L190P123-L126 PolarHBondContact O-N 2.97Å; P123-A127 WeakPolarHBondContact O-CB 3.36Å; P123-A127 PolarHBondContact O-N 3.05Å; P123-V178 HydrophobicContact CB-CG2 4.34Å; P123-T179 WeakPolarHBondContact CB-O 3.48Å; P123-N181 HydrophobicContact CG-CB 4.13Å; P123-W184 HydrophobicContact CG-CB 4.24Å; P123-W184 HydrophobicContact CG-CG 4.25Å; P123-L190 WeakPolarHBondContact CD-O 3.33Å
124A97.4Very high96.7Very high0 Ų046.3 Ų46.30%028%0.284CS..Hα-helixtrans-65.4-42.8175.200000112.9V118 S122 A127 G128 L129 L190 C192V118-A124 HydrophobicContact CG1-CB 3.92Å; S122-A124 PolarHBondContact O-N 3.18Å; S122-A124 PolarHBondContact OG-N 2.95Å; A124-A127 PolarHBondContact O-N 2.84Å; A124-G128 PolarHBondContact O-N 3.07Å; A124-L129 HydrophobicContact CB-CB 4.35Å; A124-L129 HydrophobicContact CB-CD1 3.87Å; A124-L129 WeakPolarHBondContact O-CB 3.22Å; A124-L129 PolarHBondContact O-N 2.91Å; A124-L190 HydrophobicContact CB-CB 4.49Å; A124-L190 WeakPolarHBondContact CB-O 3.46Å; A124-L190 PolarHBondContact N-O 2.75Å; A124-C192 HydrophobicContact CB-CB 3.8Å
125A96.9Very high96.7Very high39 Ų3946.1 Ų46.132%0.32228%0.282SS..Hα-helixtrans-65.7-41.5175.700000112.1V118 E119 S122 A127 G128V118-A125 HydrophobicContact CG1-CB 3.91Å; E119-A125 VanDerWaalsContact O-CB 3.3Å; E119-A125 WeakPolarHBondContact O-CB 3.16Å; S122-A125 PolarHBondContact O-N 3.48Å; S122-A125 PolarHBondContact OG-N 3.3Å; S122-A125 VanDerWaalsContact OG-N 3.17Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 3.2Å; A125-G128 PolarHBondContact O-N 3.44Å
126L96.9Very high96.5Very high142 Ų14246.1 Ų46.174%0.74328%0.282SS*.Hα-helixtrans-65.6-33.2177.4-67.4172.2000112.3S122 P123 G128S122-L126 WeakPolarHBondContact O-CG 3.32Å; S122-L126 PolarHBondContact O-N 3.32Å; P123-L126 PolarHBondContact O-N 2.97Å; L126-G128 PolarHBondContact O-N 3.09Å
127A96.7Very high96.2Very high25 Ų2544.6 Ų44.621%0.20727%0.274CS..THydrogen-bonded Turntrans-74.4-11.417200000113.7P123 A124 A125 V176 M177 V178P123-A127 WeakPolarHBondContact O-CB 3.36Å; P123-A127 PolarHBondContact O-N 3.05Å; A124-A127 PolarHBondContact O-N 2.84Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 3.2Å; A127-V176 HydrophobicContact CB-CG1 3.82Å; A127-V176 WeakPolarHBondContact O-CG1 3.37Å; A127-M177 WeakPolarHBondContact CB-O 3.43Å; A127-V178 HydrophobicContact CB-CB 3.68Å; A127-V178 HydrophobicContact CB-CG2 3.81Å
128G96.3Very high95.7Very high37 Ų3740.2 Ų40.238%0.38125%0.253SS..THydrogen-bonded Turntrans77.230.9-178.500000114.4A124 A125 L126 R174A124-G128 PolarHBondContact O-N 3.07Å; A125-G128 PolarHBondContact O-N 3.44Å; L126-G128 PolarHBondContact O-N 3.09Å; G128-R174 PolarHBondContact O-NH2 3.39Å
129L96.9Very high95.3Very high11 Ų1139.1 Ų39.16%0.05825%0.248CC..  trans-71138.2166.6-66.5178.5000110.5V115 A124 D134 V165 V176V115-L129 HydrophobicContact CG1-CB 4.4Å; A124-L129 HydrophobicContact CB-CB 4.35Å; A124-L129 HydrophobicContact CB-CD1 3.87Å; A124-L129 WeakPolarHBondContact O-CB 3.22Å; A124-L129 PolarHBondContact O-N 2.91Å; L129-D134 WeakPolarHBondContact CA-OD2 3.06Å; L129-V165 HydrophobicContact CD2-CG1 4.22Å; L129-V165 HydrophobicContact CD2-CG2 3.89Å; L129-V176 HydrophobicContact CD2-CB 4.45Å; L129-V176 HydrophobicContact CD2-CG1 3.95Å; L129-V176 HydrophobicContact CD2-CG2 4.32Å; L129-V176 HydrophobicContact CG-CG1 4.31Å
130Q96.9Very high94.5Very high71 Ų7140 Ų4033%0.33226%0.255SS..  trans-112.9116.6-173.2-59.9-173.7-10.600110.7Y132 S133 D134 N167Q130-Y132 PolarHBondContact O-N 3.43Å; Q130-S133 WeakPolarHBondContact CB-OG 3.3Å; Q130-S133 PolarHBondContact O-N 3.37Å; Q130-S133 PolarHBondContact O-OG 3.49Å; Q130-D134 PolarHBondContact N-OD2 3.38Å; Q130-D134 WeakPolarHBondContact O-CB 3.49Å; Q130-D134 PolarHBondContact O-N 2.74Å; Q130-D134 VanDerWaalsContact O-N 3.1Å; Q130-N167 PolarHBondContact OE1-ND2 2.81Å
131S96.9Very high93.8Very high58 Ų5840.2 Ų40.241%0.40624%0.239SC..THydrogen-bonded Turntrans-53.6137.9179.752.50000113L116 S133L116-S131 WeakPolarHBondContact O-CA 2.95Å; L116-S131 WeakPolarHBondContact O-CB 3.09Å; S131-S133 PolarHBondContact O-N 2.69Å; S131-S133 PolarHBondContact O-OG 3.35Å
132Y96Very high93Very high126 Ų12641.3 Ų41.349%0.49424%0.236SC..THydrogen-bonded Turntrans58.7-1176.9-54.7-80.1000117.4H114 V115 L116 D117 Q130H114-Y132 WeakPolarHBondContact NE2-CA 3.42Å; H114-Y132 PolarHBondContact NE2-O 2.73Å; V115-Y132 WeakPolarHBondContact O-CA 3.41Å; V115-Y132 PolarHBondContact O-N 3.12Å; L116-Y132 HydrophobicContact CB-CE1 4.44Å; L116-Y132 HydrophobicContact CD2-CD1 4.46Å; L116-Y132 HydrophobicContact CD2-CE1 4.37Å; D117-Y132 VanDerWaalsContact OD1-CE2 3.3Å; D117-Y132 WeakPolarHBondContact OD1-CE2 3.4Å; D117-Y132 PolarHBondContact OD1-OH 2.92Å; D117-Y132 PolarHBondContact OD2-OH 2.68Å; Q130-Y132 PolarHBondContact O-N 3.43Å
133S95.3Very high92.2Very high16 Ų1642 Ų4211%0.11224%0.24CC..THydrogen-bonded Turntrans-119.6-23.4-179.757.50000113.1Q130 S131 N167 T168Q130-S133 WeakPolarHBondContact CB-OG 3.3Å; Q130-S133 PolarHBondContact O-N 3.37Å; Q130-S133 PolarHBondContact O-OG 3.49Å; S131-S133 PolarHBondContact O-N 2.69Å; S131-S133 PolarHBondContact O-OG 3.35Å; S133-N167 WeakPolarHBondContact O-CA 3.11Å; S133-N167 PolarHBondContact O-ND2 2.85Å; S133-N167 PolarHBondContact OG-ND2 2.84Å; S133-T168 PolarHBondContact O-N 3.17Å; S133-T168 PolarHBondContact O-OG1 3.3Å
134D96.4Very high91.3Very high0 Ų047.4 Ų47.40%026%0.264CS..EExtended strand (participates in β ladder)trans-91.2137.7175.1-79.3-17.2000113V115 L129 Q130 V165 Y166 N167 R174V115-D134 HydrophobicContact CB-CB 4.11Å; V115-D134 WeakPolarHBondContact CB-O 3.48Å; V115-D134 HydrophobicContact CG2-CB 3.88Å; V115-D134 PolarHBondContact N-O 2.72Å; L129-D134 WeakPolarHBondContact CA-OD2 3.06Å; Q130-D134 PolarHBondContact N-OD2 3.38Å; Q130-D134 WeakPolarHBondContact O-CB 3.49Å; Q130-D134 PolarHBondContact O-N 2.74Å; Q130-D134 VanDerWaalsContact O-N 3.1Å; D134-V165 HydrophobicContact CB-CG1 3.55Å; D134-V165 VanDerWaalsContact CG-CG1 3.44Å; D134-Y166 WeakPolarHBondContact CA-O 3.44Å; D134-N167 WeakPolarHBondContact OD1-CB 3.41Å; D134-N167 PolarHBondContact OD1-ND2 3.23Å; D134-R174 IonicContact OD1-CZ 2.68Å; D134-R174 IonicContact OD1-NH1 3.12Å; D134-R174 PolarHBondContact OD1-NH1 2.94Å; D134-R174 IonicContact OD1-NH2 2.71Å; D134-R174 PolarHBondContact OD1-NH2 2.76Å; D134-R174 IonicContact OD2-CZ 3.3Å; D134-R174 IonicContact OD2-NH1 2.64Å; D134-R174 PolarHBondContact OD2-NH1 2.94Å; D134-R174 IonicContact OD2-NH2 3.46Å; D134-R174 PolarHBondContact OD2-NH2 3.34Å
135Y94.6Very high90.4Very high13 Ų1352.3 Ų52.35%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-125.2115.9173.5-68-104.3000106.6V112 W113 H114 V137 V165 Y166 T168 H200 R201 I202V112-Y135 HydrophobicContact CG1-CD1 3.75Å; V112-Y135 HydrophobicContact CG1-CG 4.22Å; W113-Y135 CarbonylContact O-C 3.47Å; W113-Y135 WeakPolarHBondContact O-CA 3.23Å; H114-Y135 HydrophobicContact CB-CD1 3.91Å; H114-Y135 HydrophobicContact CB-CE1 3.81Å; H114-Y135 AromaticContact CD2-CE1 3.88Å; H114-Y135 AromaticContact CD2-CE2 3.98Å; H114-Y135 AromaticContact CD2-CZ 3.71Å; H114-Y135 AromaticContact CE1-CZ 3.96Å; H114-Y135 AromaticContact CG-CE1 3.62Å; H114-Y135 AromaticContact CG-CZ 3.86Å; H114-Y135 AromaticContact ND1-CE1 3.94Å; H114-Y135 AromaticContact ND1-CZ 3.99Å; H114-Y135 AromaticContact NE2-CZ 3.81Å; Y135-V137 PolarHBondContact O-N 2.67Å; Y135-V165 CarbonylContact O-C 3.51Å; Y135-V165 WeakPolarHBondContact O-CA 3.19Å; Y135-Y166 HydrophobicContact CD2-CD1 4.29Å; Y135-Y166 HydrophobicContact CG-CD1 4.49Å; Y135-Y166 PolarHBondContact N-O 2.99Å; Y135-Y166 PolarHBondContact O-N 3.41Å; Y135-T168 HydrophobicContact CD2-CG2 3.83Å; Y135-T168 HydrophobicContact CE2-CG2 3.35Å; Y135-H200 WeakPolarHBondContact CE1-O 3.49Å; Y135-R201 WeakPolarHBondContact CE1-O 3.43Å; Y135-I202 HydrophobicContact CD1-CG1 3.77Å; Y135-I202 HydrophobicContact CD2-CG1 4.41Å; Y135-I202 HydrophobicContact CE1-CG1 4.34Å; Y135-I202 HydrophobicContact CG-CG1 3.8Å
136I93.8Very high89.7Confident0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-72.9124.7170.3-59.1158.5000106.3W113 V115 F149 L163 V165 I194W113-I136 HydrophobicContact CB-CB 4.22Å; W113-I136 PolarHBondContact N-O 2.84Å; W113-I136 PolarHBondContact O-N 3.02Å; V115-I136 HydrophobicContact CG2-CD1 4.08Å; V115-I136 HydrophobicContact CG2-CG1 4.13Å; I136-F149 HydrophobicContact CD1-CE2 3.98Å; I136-F149 HydrophobicContact CD1-CZ 3.71Å; I136-F149 HydrophobicContact CG2-CE2 4.06Å; I136-L163 HydrophobicContact CD1-CD1 3.99Å; I136-L163 HydrophobicContact CG1-CD1 4.27Å; I136-L163 HydrophobicContact CG2-CB 4.36Å; I136-L163 HydrophobicContact CG2-CD1 4.33Å; I136-L163 HydrophobicContact CG2-CD2 4.27Å; I136-V165 HydrophobicContact CG1-CG2 4.15Å; I136-I194 HydrophobicContact CD1-CD1 4.18Å
137V89.7Confident89.3Confident7 Ų752.9 Ų52.94%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-122.30.1-170.7-70.30000112.7F36 V112 Y135 L164 I202F36-V137 HydrophobicContact CB-CB 4.49Å; F36-V137 HydrophobicContact CB-CG2 4.1Å; F36-V137 HydrophobicContact CD1-CB 3.82Å; F36-V137 HydrophobicContact CD1-CG1 3.67Å; F36-V137 HydrophobicContact CD1-CG2 4.26Å; F36-V137 HydrophobicContact CD2-CB 3.53Å; F36-V137 HydrophobicContact CD2-CG1 4.3Å; F36-V137 HydrophobicContact CD2-CG2 3.91Å; F36-V137 HydrophobicContact CE1-CB 3.87Å; F36-V137 HydrophobicContact CE1-CG1 3.57Å; F36-V137 HydrophobicContact CE2-CB 3.6Å; F36-V137 HydrophobicContact CE2-CG1 4.23Å; F36-V137 HydrophobicContact CE2-CG2 4.46Å; F36-V137 WeakPolarHBondContact CE2-O 3.34Å; F36-V137 HydrophobicContact CG-CB 3.64Å; F36-V137 HydrophobicContact CG-CG1 4.03Å; F36-V137 HydrophobicContact CG-CG2 3.79Å; F36-V137 HydrophobicContact CZ-CB 3.75Å; F36-V137 HydrophobicContact CZ-CG1 3.86Å; V112-V137 HydrophobicContact CG1-CG1 3.97Å; V112-V137 HydrophobicContact CG2-CG1 4.29Å; Y135-V137 PolarHBondContact O-N 2.67Å; V137-L164 HydrophobicContact CG2-CB 4.16Å; V137-L164 HydrophobicContact CG2-CD2 4.02Å; V137-L164 HydrophobicContact CG2-CG 3.76Å; V137-L164 VanDerWaalsContact CG2-O 3.23Å; V137-L164 WeakPolarHBondContact CG2-O 3.13Å; V137-L164 PolarHBondContact N-O 3.17Å; V137-I202 HydrophobicContact CG1-CD1 3.71Å
138G88.3Confident88.9Confident9 Ų954.6 Ų54.69%0.09329%0.289CS..EExtended strand (participates in β ladder)trans172.2176.4174.900000112.5L164G138-L164 PolarHBondContact N-O 3.24Å; G138-L164 PolarHBondContact O-N 3.06Å
139A88.4Confident88.7Confident13 Ų1352.8 Ų52.811%0.10727%0.271CS..EExtended strand (participates in β ladder)trans-145.8-176172.900000109Q141 L143 L152 K162 L163A139-Q141 PolarHBondContact O-N 3.49Å; A139-L143 HydrophobicContact CB-CD1 4.17Å; A139-L152 HydrophobicContact CB-CD2 3.47Å; A139-L152 VanDerWaalsContact CB-CD2 3.47Å; A139-K162 WeakPolarHBondContact CA-O 3.29Å; A139-L163 HydrophobicContact CB-CD2 3.84Å
140D81.6Confident88.4Confident109 Ų10956.5 Ų56.558%0.58329%0.287SS*.SBendtrans-61.1-24.9173.2-69.2-24.4000112.7K162D140-K162 WeakPolarHBondContact OD2-CB 3.46Å
141Q81.1Confident88.3Confident106 Ų10656.2 Ų56.250%0.49529%0.293SS..SBendtrans-97.9157.7175-61.6-168.761.200111.9A139 L143 L152A139-Q141 PolarHBondContact O-N 3.49Å; Q141-L143 PolarHBondContact O-N 2.88Å; Q141-L152 HydrophobicContact CB-CD1 4.29Å; Q141-L152 HydrophobicContact CG-CD1 4.17Å
142V77.2Confident88.1Confident74 Ų7453.9 Ų53.945%0.44828%0.275SS..  trans-66.4134.6171.5-168.20000108.1R101 Q144R101-V142 VanDerWaalsContact CZ-CG2 3.45Å; V142-Q144 HydrophobicContact CG1-CG 3.72Å
143L81.3Confident88Confident16 Ų1648.4 Ų48.48%0.08425%0.254CS..  trans-116.4113.3168.2-59.6174.7000107.6N111 W113 A139 Q141 D148 F149 L152N111-L143 PolarHBondContact ND2-O 2.87Å; W113-L143 HydrophobicContact CE3-CD1 4.26Å; W113-L143 HydrophobicContact CH2-CB 3.35Å; W113-L143 HydrophobicContact CH2-CD1 3.9Å; W113-L143 HydrophobicContact CH2-CG 4.23Å; W113-L143 HydrophobicContact CZ2-CB 4.07Å; W113-L143 HydrophobicContact CZ2-CD1 4.5Å; W113-L143 HydrophobicContact CZ3-CB 3.91Å; W113-L143 HydrophobicContact CZ3-CD1 3.73Å; W113-L143 HydrophobicContact CZ3-CG 4.49Å; A139-L143 HydrophobicContact CB-CD1 4.17Å; Q141-L143 PolarHBondContact O-N 2.88Å; L143-D148 HydrophobicContact CD2-CB 3.82Å; L143-F149 HydrophobicContact CD1-CB 4.42Å; L143-F149 HydrophobicContact CD1-CD2 4.02Å; L143-F149 HydrophobicContact CD2-CB 4.34Å; L143-L152 HydrophobicContact CD1-CD2 4.46Å; L143-L152 HydrophobicContact CD2-CB 4.36Å; L143-L152 HydrophobicContact CD2-CD2 3.87Å
144Q77.8Confident87.9Confident124 Ų12454.5 Ų54.558%0.57928%0.281SS*.  trans-101.3-41179.3-59.9-165.912.500111.4N111 V142 D148N111-Q144 VanDerWaalsContact CG-O 3.3Å; N111-Q144 WeakPolarHBondContact ND2-CA 3.19Å; N111-Q144 PolarHBondContact ND2-O 3.3Å; N111-Q144 PolarHBondContact OD1-O 3.4Å; V142-Q144 HydrophobicContact CG1-CG 3.72Å; Q144-D148 WeakPolarHBondContact CA-OD2 3.27Å; Q144-D148 WeakPolarHBondContact CB-OD2 3.27Å; Q144-D148 PolarHBondContact N-OD2 2.86Å
145D80.5Confident87.8Confident102 Ų10257 Ų5755%0.54530%0.302SS..SBendtrans-127167.1-176.6-77-54.6000113E147 D148D145-E147 VanDerWaalsContact C-N 3.26Å; D145-E147 PolarHBondContact O-N 2.86Å; D145-D148 PolarHBondContact N-OD2 2.86Å; D145-D148 WeakPolarHBondContact O-CB 3.35Å; D145-D148 PolarHBondContact O-N 3.2Å
146L81.3Confident87.8Confident55 Ų5558.3 Ų58.329%0.28831%0.309SS..Hα-helixtrans-53.1-43.1176.1178.762000112.6D148 F149 F150 Y196L146-D148 VanDerWaalsContact C-N 3.28Å; L146-D148 PolarHBondContact O-N 3.43Å; L146-F149 PolarHBondContact O-N 2.93Å; L146-F150 HydrophobicContact CD1-CD2 4.15Å; L146-F150 HydrophobicContact CD1-CE2 3.43Å; L146-F150 VanDerWaalsContact CD1-CE2 3.43Å; L146-F150 HydrophobicContact CD1-CZ 4.14Å; L146-F150 HydrophobicContact CD2-CE2 4.25Å; L146-F150 HydrophobicContact CG-CD2 4.1Å; L146-F150 HydrophobicContact CG-CE2 3.66Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-Y196 HydrophobicContact CB-CD1 3.97Å; L146-Y196 HydrophobicContact CB-CE1 3.98Å; L146-Y196 HydrophobicContact CB-CG 4.32Å; L146-Y196 HydrophobicContact CD1-CD1 4.06Å; L146-Y196 HydrophobicContact CD1-CD2 4.08Å; L146-Y196 HydrophobicContact CD1-CG 3.67Å; L146-Y196 HydrophobicContact CD2-CD1 4.14Å; L146-Y196 HydrophobicContact CG-CD1 4.28Å; L146-Y196 HydrophobicContact CG-CG 4.38Å
147E88Confident87.9Confident139 Ų13961.8 Ų61.865%0.6533%0.325SS*.Hα-helixtrans-62.4-33.7-178.4-133.783-173.900112.3D145 F149 F150 S151D145-E147 VanDerWaalsContact C-N 3.26Å; D145-E147 PolarHBondContact O-N 2.86Å; E147-F149 VanDerWaalsContact C-N 3.32Å; E147-F149 PolarHBondContact O-N 2.81Å; E147-F150 PolarHBondContact O-N 3.48Å; E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.17Å; E147-S151 PolarHBondContact O-N 3.36Å; E147-S151 PolarHBondContact O-OG 2.83Å
148D89.3Confident88.1Confident60 Ų6064.2 Ų64.232%0.32135%0.351SS..Hα-helixtrans-63.4-40.7-179.1-64.7-26.1000111.1L143 Q144 D145 L146 L152L143-D148 HydrophobicContact CD2-CB 3.82Å; Q144-D148 WeakPolarHBondContact CA-OD2 3.27Å; Q144-D148 WeakPolarHBondContact CB-OD2 3.27Å; Q144-D148 PolarHBondContact N-OD2 2.86Å; D145-D148 PolarHBondContact N-OD2 2.86Å; D145-D148 WeakPolarHBondContact O-CB 3.35Å; D145-D148 PolarHBondContact O-N 3.2Å; L146-D148 VanDerWaalsContact C-N 3.28Å; L146-D148 PolarHBondContact O-N 3.43Å; D148-L152 WeakPolarHBondContact O-CB 3.3Å; D148-L152 PolarHBondContact O-N 2.9Å
149F91.1Very high88.5Confident0 Ų069.2 Ų69.20%037%0.371CS..Hα-helixtrans-65.9-47.1179.8174.8-101.4000111W113 I136 L143 L146 E147 L152 I153 L163 L190 I194W113-F149 AromaticContact CD1-CD1 3.7Å; W113-F149 AromaticContact CD1-CG 3.84Å; W113-F149 HydrophobicContact CD2-CB 4.07Å; W113-F149 HydrophobicContact CD2-CD2 4.32Å; W113-F149 HydrophobicContact CD2-CG 4.07Å; W113-F149 HydrophobicContact CG-CB 4.38Å; W113-F149 HydrophobicContact CG-CD1 4.12Å; W113-F149 HydrophobicContact CG-CD2 4.45Å; W113-F149 HydrophobicContact CG-CG 4.04Å; W113-F149 HydrophobicContact CZ2-CB 3.9Å; W113-F149 VanDerWaalsContact NE1-CB 3.35Å; W113-F149 AromaticContact NE1-CD1 3.99Å; W113-F149 AromaticContact NE1-CG 3.78Å; I136-F149 HydrophobicContact CD1-CE2 3.98Å; I136-F149 HydrophobicContact CD1-CZ 3.71Å; I136-F149 HydrophobicContact CG2-CE2 4.06Å; L143-F149 HydrophobicContact CD1-CB 4.42Å; L143-F149 HydrophobicContact CD1-CD2 4.02Å; L143-F149 HydrophobicContact CD2-CB 4.34Å; L146-F149 PolarHBondContact O-N 2.93Å; E147-F149 VanDerWaalsContact C-N 3.32Å; E147-F149 PolarHBondContact O-N 2.81Å; F149-L152 WeakPolarHBondContact O-CB 3.37Å; F149-L152 PolarHBondContact O-N 3.43Å; F149-I153 HydrophobicContact CE1-CG1 4.07Å; F149-I153 HydrophobicContact CE2-CD1 3.99Å; F149-I153 HydrophobicContact CE2-CG1 4.25Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; F149-I153 HydrophobicContact CZ-CG1 3.92Å; F149-I153 WeakPolarHBondContact O-CG1 3.42Å; F149-I153 PolarHBondContact O-N 2.58Å; F149-L163 HydrophobicContact CE2-CD2 4.31Å; F149-L190 HydrophobicContact CZ-CD1 4.24Å; F149-I194 HydrophobicContact CE1-CD1 4.36Å; F149-I194 HydrophobicContact CE1-CG1 4.16Å; F149-I194 HydrophobicContact CE1-CG2 4.32Å
150F92.1Very high88.9Confident89 Ų8972.6 Ų72.639%0.3939%0.391SS..Hα-helixtrans-63.8-44.1177.4-66.7-59.4000111.8L146 E147 L152 I153 E154 I194L146-F150 HydrophobicContact CD1-CD2 4.15Å; L146-F150 HydrophobicContact CD1-CE2 3.43Å; L146-F150 VanDerWaalsContact CD1-CE2 3.43Å; L146-F150 HydrophobicContact CD1-CZ 4.14Å; L146-F150 HydrophobicContact CD2-CE2 4.25Å; L146-F150 HydrophobicContact CG-CD2 4.1Å; L146-F150 HydrophobicContact CG-CE2 3.66Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; E147-F150 PolarHBondContact O-N 3.48Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 2.89Å; F150-I153 PolarHBondContact O-N 3.37Å; F150-I153 VanDerWaalsContact O-N 3.15Å; F150-E154 PolarHBondContact O-N 3.48Å; F150-I194 HydrophobicContact CZ-CG2 4.49Å
151S93.1Very high89.5Confident65 Ų6567.6 Ų67.646%0.45537%0.365SS..Hα-helixtrans-59.2-37.6174.4-56.90000112.4E147 A155E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.17Å; E147-S151 PolarHBondContact O-N 3.36Å; E147-S151 PolarHBondContact O-OG 2.83Å; S151-A155 WeakPolarHBondContact O-CB 3.33Å; S151-A155 PolarHBondContact O-N 3.08Å
152L93Very high90.1Very high8 Ų866 Ų664%0.04236%0.356CS..Hα-helixtrans-65.5-43.4175.7176.767.9000111.8A139 Q141 L143 D148 F149 F150 A155 H156 L161A139-L152 HydrophobicContact CB-CD2 3.47Å; A139-L152 VanDerWaalsContact CB-CD2 3.47Å; Q141-L152 HydrophobicContact CB-CD1 4.29Å; Q141-L152 HydrophobicContact CG-CD1 4.17Å; L143-L152 HydrophobicContact CD1-CD2 4.46Å; L143-L152 HydrophobicContact CD2-CB 4.36Å; L143-L152 HydrophobicContact CD2-CD2 3.87Å; D148-L152 WeakPolarHBondContact O-CB 3.3Å; D148-L152 PolarHBondContact O-N 2.9Å; F149-L152 WeakPolarHBondContact O-CB 3.37Å; F149-L152 PolarHBondContact O-N 3.43Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 2.89Å; L152-A155 PolarHBondContact O-N 3.29Å; L152-H156 VanDerWaalsContact CD1-CE1 3.46Å; L152-H156 WeakPolarHBondContact CD1-CE1 3.46Å; L152-H156 PolarHBondContact O-N 2.98Å; L152-H156 PolarHBondContact O-ND1 3.05Å; L152-L161 HydrophobicContact CD1-CD1 4.06Å; L152-L161 HydrophobicContact CD2-CD1 4.15Å; L152-L161 HydrophobicContact CD2-CD2 4.1Å; L152-L161 HydrophobicContact CG-CD1 4.14Å; L152-L161 HydrophobicContact CG-CD2 3.93Å
153I94.4Very high90.9Very high11 Ų1162.6 Ų62.66%0.05634%0.335CS..Hα-helixtrans-61.1-49.4175.7-63-47.4000110.3F149 F150 A155 H156 E157 L161 P180 L190F149-I153 HydrophobicContact CE1-CG1 4.07Å; F149-I153 HydrophobicContact CE2-CD1 3.99Å; F149-I153 HydrophobicContact CE2-CG1 4.25Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; F149-I153 HydrophobicContact CZ-CG1 3.92Å; F149-I153 WeakPolarHBondContact O-CG1 3.42Å; F149-I153 PolarHBondContact O-N 2.58Å; F150-I153 PolarHBondContact O-N 3.37Å; F150-I153 VanDerWaalsContact O-N 3.15Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.37Å; I153-H156 CarbonylContact O-C 3.46Å; I153-H156 PolarHBondContact O-N 2.88Å; I153-E157 PolarHBondContact O-N 2.91Å; I153-L161 HydrophobicContact CD1-CD2 3.58Å; I153-P180 HydrophobicContact CD1-CG 4.39Å; I153-P180 HydrophobicContact CG2-CB 3.84Å; I153-P180 HydrophobicContact CG2-CG 3.94Å; I153-L190 HydrophobicContact CD1-CD1 3.99Å; I153-L190 HydrophobicContact CD1-CD2 4.4Å; I153-L190 HydrophobicContact CG1-CD1 4.06Å; I153-L190 HydrophobicContact CG2-CD1 4.42Å; I153-L190 HydrophobicContact CG2-CD2 4.33Å; I153-L190 HydrophobicContact CG2-CG 4.04Å
154E93.5Very high91.3Very high144 Ų14462.4 Ų62.467%0.67333%0.334SS*.Hα-helixtrans-60.4-40.2178.8-69.6-177.5-177.700112.5F150 H156 E157F150-E154 PolarHBondContact O-N 3.48Å; E154-H156 PolarHBondContact O-N 3.05Å; E154-E157 WeakPolarHBondContact O-CB 3.39Å; E154-E157 PolarHBondContact O-N 3.04Å
155A94.3Very high92.1Very high54 Ų5456.5 Ų56.545%0.44631%0.307SS..Hα-helixtrans-67.2-21.5176.400000114S151 L152 I153 K159S151-A155 WeakPolarHBondContact O-CB 3.33Å; S151-A155 PolarHBondContact O-N 3.08Å; L152-A155 PolarHBondContact O-N 3.29Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.37Å; A155-K159 PolarHBondContact O-NZ 2.92Å
156H94.6Very high92.6Very high39 Ų3951.9 Ų51.918%0.18128%0.281CS..THydrogen-bonded Turntrans-103.214.1179.1-68.674.7000113.6L152 I153 E154 G158 K159 L161 P180L152-H156 VanDerWaalsContact CD1-CE1 3.46Å; L152-H156 WeakPolarHBondContact CD1-CE1 3.46Å; L152-H156 PolarHBondContact O-N 2.98Å; L152-H156 PolarHBondContact O-ND1 3.05Å; I153-H156 CarbonylContact O-C 3.46Å; I153-H156 PolarHBondContact O-N 2.88Å; E154-H156 PolarHBondContact O-N 3.05Å; H156-G158 PolarHBondContact O-N 3.3Å; H156-G158 VanDerWaalsContact O-N 3.15Å; H156-K159 PolarHBondContact O-N 3.47Å; H156-K159 VanDerWaalsContact O-O 3.13Å; H156-L161 HydrophobicContact CB-CB 4.03Å; H156-L161 HydrophobicContact CB-CD2 4.31Å; H156-P180 HydrophobicContact CB-CG 4.18Å
157E95.8Very high93.2Very high74 Ų7449.3 Ų49.335%0.34627%0.268SS..THydrogen-bonded Turntrans-49.6120.3169.6-172.261.1-151.700111.2I153 E154 K159 N181 G182 S189I153-E157 PolarHBondContact O-N 2.91Å; E154-E157 WeakPolarHBondContact O-CB 3.39Å; E154-E157 PolarHBondContact O-N 3.04Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.46Å; E157-N181 VanDerWaalsContact OE1-CA 3.25Å; E157-N181 WeakPolarHBondContact OE1-CA 3.38Å; E157-G182 PolarHBondContact OE1-N 3.48Å; E157-G182 PolarHBondContact OE2-N 2.87Å; E157-S189 VanDerWaalsContact OE2-CB 3.28Å; E157-S189 WeakPolarHBondContact OE2-CB 3.2Å; E157-S189 PolarHBondContact OE2-OG 3.32Å
158G94.3Very high93.3Very high58 Ų5845 Ų4560%0.59825%0.251SS*.THydrogen-bonded Turntrans756.8-175.600000116.4H156 P180H156-G158 PolarHBondContact O-N 3.3Å; H156-G158 VanDerWaalsContact O-N 3.15Å; G158-P180 PolarHBondContact N-O 3.43Å
159K96.4Very high93.4Very high114 Ų11450.5 Ų50.550%0.49627%0.268SS..SBendtrans-123.7145.4-175.1-57.5171.9-159.2149.50111.6A155 H156 E157 L161 P180A155-K159 PolarHBondContact O-NZ 2.92Å; H156-K159 PolarHBondContact O-N 3.47Å; H156-K159 VanDerWaalsContact O-O 3.13Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.46Å; K159-L161 PolarHBondContact O-N 3.02Å; K159-P180 WeakPolarHBondContact O-CD 3.48Å
160P95.4Very high93.3Very high83 Ų8354.3 Ų54.354%0.53929%0.291SS..  trans-65.8127.2171.628.4-33.4000110.2M177P160-M177 HydrophobicContact CB-CG 3.9Å; P160-M177 HydrophobicContact CB-SD 3.82Å
161L94.8Very high93Very high5 Ų553.4 Ų53.43%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-116.1132.8174.7174.662.9000108.9L152 I153 H156 K159 L163 M177 V178L152-L161 HydrophobicContact CD1-CD1 4.06Å; L152-L161 HydrophobicContact CD2-CD1 4.15Å; L152-L161 HydrophobicContact CD2-CD2 4.1Å; L152-L161 HydrophobicContact CG-CD1 4.14Å; L152-L161 HydrophobicContact CG-CD2 3.93Å; I153-L161 HydrophobicContact CD1-CD2 3.58Å; H156-L161 HydrophobicContact CB-CB 4.03Å; H156-L161 HydrophobicContact CB-CD2 4.31Å; K159-L161 PolarHBondContact O-N 3.02Å; L161-L163 HydrophobicContact CD2-CD2 3.91Å; L161-L163 HydrophobicContact CG-CD2 4.06Å; L161-L163 HydrophobicContact CG-CG 4.47Å; L161-M177 WeakPolarHBondContact O-CA 3.44Å; L161-V178 HydrophobicContact CB-CG1 4.37Å; L161-V178 PolarHBondContact N-O 3.39Å; L161-V178 PolarHBondContact O-N 2.85Å
162K93.9Very high92.7Very high73 Ų7355 Ų5532%0.31729%0.293SS..EExtended strand (participates in β ladder)trans-91.8123.3175.2-165.1-173-180-163.70110.4A139 D140 D175A139-K162 WeakPolarHBondContact CA-O 3.29Å; D140-K162 WeakPolarHBondContact OD2-CB 3.46Å; K162-D175 WeakPolarHBondContact CE-OD1 3.35Å; K162-D175 WeakPolarHBondContact CE-OD2 3.42Å; K162-D175 IonicContact NZ-OD1 3.37Å; K162-D175 PolarHBondContact NZ-OD1 3.41Å; K162-D175 IonicContact NZ-OD2 2.58Å; K162-D175 PolarHBondContact NZ-OD2 3.23Å
163L93.1Very high92.5Very high1 Ų155.7 Ų55.71%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-114.3141.7174.5-60.3-178.5000109.9I136 A139 F149 L161 V165 V176 V178I136-L163 HydrophobicContact CD1-CD1 3.99Å; I136-L163 HydrophobicContact CG1-CD1 4.27Å; I136-L163 HydrophobicContact CG2-CB 4.36Å; I136-L163 HydrophobicContact CG2-CD1 4.33Å; I136-L163 HydrophobicContact CG2-CD2 4.27Å; A139-L163 HydrophobicContact CB-CD2 3.84Å; F149-L163 HydrophobicContact CE2-CD2 4.31Å; L161-L163 HydrophobicContact CD2-CD2 3.91Å; L161-L163 HydrophobicContact CG-CD2 4.06Å; L161-L163 HydrophobicContact CG-CG 4.47Å; L163-V165 HydrophobicContact CB-CG2 4.12Å; L163-V176 PolarHBondContact N-O 3.36Å; L163-V176 PolarHBondContact O-N 3.44Å; L163-V178 HydrophobicContact CD1-CG1 3.65Å; L163-V178 HydrophobicContact CG-CG1 4.03Å
164L90.8Very high92.3Very high12 Ų1258.9 Ų58.96%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-92.9122.5167-17565.3000108.1H20 F36 V137 G138 C173H20-L164 HydrophobicContact CB-CD2 4.25Å; H20-L164 VanDerWaalsContact O-CD2 3.29Å; H20-L164 WeakPolarHBondContact O-CD2 3.22Å; F36-L164 HydrophobicContact CB-CD2 4.49Å; V137-L164 HydrophobicContact CG2-CB 4.16Å; V137-L164 HydrophobicContact CG2-CD2 4.02Å; V137-L164 HydrophobicContact CG2-CG 3.76Å; V137-L164 VanDerWaalsContact CG2-O 3.23Å; V137-L164 WeakPolarHBondContact CG2-O 3.13Å; V137-L164 PolarHBondContact N-O 3.17Å; G138-L164 PolarHBondContact N-O 3.24Å; G138-L164 PolarHBondContact O-N 3.06Å; L164-C173 HydrophobicContact CD1-CB 4.04Å
165V93.8Very high92.1Very high0 Ų056.9 Ų56.90%030%0.304CS..EExtended strand (participates in β ladder)trans-125.9117.4-172.3-175.70000110.3L129 D134 Y135 I136 L163 C173 R174 V176L129-V165 HydrophobicContact CD2-CG1 4.22Å; L129-V165 HydrophobicContact CD2-CG2 3.89Å; D134-V165 HydrophobicContact CB-CG1 3.55Å; D134-V165 VanDerWaalsContact CG-CG1 3.44Å; Y135-V165 CarbonylContact O-C 3.51Å; Y135-V165 WeakPolarHBondContact O-CA 3.19Å; I136-V165 HydrophobicContact CG1-CG2 4.15Å; L163-V165 HydrophobicContact CB-CG2 4.12Å; V165-C173 CarbonylContact O-C 3.53Å; V165-C173 WeakPolarHBondContact O-CA 3.32Å; V165-R174 PolarHBondContact N-O 3.23Å; V165-R174 PolarHBondContact O-N 2.89Å; V165-V176 HydrophobicContact CB-CG2 3.9Å; V165-V176 HydrophobicContact CG2-CB 3.84Å; V165-V176 HydrophobicContact CG2-CG2 3.59Å
166Y92.3Very high92.2Very high5 Ų554.6 Ų54.62%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-85.2135.1170.2168.9-103.6000110.3F37 D134 Y135 T168 D171 I202F37-Y166 AromaticContact CE2-CD2 3.51Å; F37-Y166 HydrophobicContact CE2-CD2 3.51Å; F37-Y166 AromaticContact CE2-CE2 3.46Å; F37-Y166 HydrophobicContact CE2-CE2 3.46Å; F37-Y166 VanDerWaalsContact CE2-CE2 3.46Å; F37-Y166 HydrophobicContact CE2-CG 4.22Å; F37-Y166 HydrophobicContact CZ-CD1 4.1Å; F37-Y166 AromaticContact CZ-CD2 3.55Å; F37-Y166 HydrophobicContact CZ-CD2 3.55Å; F37-Y166 HydrophobicContact CZ-CE1 4.02Å; F37-Y166 AromaticContact CZ-CE2 3.47Å; F37-Y166 HydrophobicContact CZ-CE2 3.47Å; F37-Y166 VanDerWaalsContact CZ-CE2 3.47Å; F37-Y166 AromaticContact CZ-CG 3.85Å; F37-Y166 HydrophobicContact CZ-CG 3.85Å; F37-Y166 AromaticContact CZ-CZ 3.7Å; D134-Y166 WeakPolarHBondContact CA-O 3.44Å; Y135-Y166 HydrophobicContact CD2-CD1 4.29Å; Y135-Y166 HydrophobicContact CG-CD1 4.49Å; Y135-Y166 PolarHBondContact N-O 2.99Å; Y135-Y166 PolarHBondContact O-N 3.41Å; Y166-T168 HydrophobicContact CD1-CG2 4.41Å; Y166-T168 HydrophobicContact CE1-CG2 3.63Å; Y166-D171 WeakPolarHBondContact CE2-OD1 3.41Å; Y166-D171 PolarHBondContact OH-OD1 3.41Å; Y166-I202 HydrophobicContact CD1-CD1 3.56Å; Y166-I202 HydrophobicContact CD1-CG1 3.7Å; Y166-I202 HydrophobicContact CD1-CG2 4.16Å; Y166-I202 HydrophobicContact CE1-CB 4.36Å; Y166-I202 HydrophobicContact CE1-CD1 4.09Å; Y166-I202 HydrophobicContact CE1-CG1 3.93Å; Y166-I202 HydrophobicContact CE1-CG2 3.52Å; Y166-I202 HydrophobicContact CG-CD1 4.11Å
167N92.9Very high92.3Very high2 Ų258.9 Ų58.91%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-113.7122175.8-173.1-90.7000111.4Q130 S133 D134 R169 T170 D171 N172Q130-N167 PolarHBondContact OE1-ND2 2.81Å; S133-N167 WeakPolarHBondContact O-CA 3.11Å; S133-N167 PolarHBondContact O-ND2 2.85Å; S133-N167 PolarHBondContact OG-ND2 2.84Å; D134-N167 WeakPolarHBondContact OD1-CB 3.41Å; D134-N167 PolarHBondContact OD1-ND2 3.23Å; N167-R169 VanDerWaalsContact C-N 3.26Å; N167-R169 PolarHBondContact O-N 2.95Å; N167-R169 WeakPolarHBondContact OD1-CA 3.42Å; N167-R169 WeakPolarHBondContact OD1-CB 3.5Å; N167-R169 PolarHBondContact OD1-N 3.49Å; N167-T170 PolarHBondContact O-N 2.78Å; N167-T170 PolarHBondContact OD1-N 3.37Å; N167-T170 VanDerWaalsContact OD1-N 3.12Å; N167-D171 WeakPolarHBondContact O-CA 3.41Å; N167-D171 PolarHBondContact O-N 2.98Å; N167-N172 PolarHBondContact N-O 2.83Å
168T91.5Very high92.3Very high48 Ų4855.4 Ų55.429%0.29429%0.29SS..THydrogen-bonded Turntrans-67.1-21.9-178.448.30000114.4S133 Y135 Y166 P203S133-T168 PolarHBondContact O-N 3.17Å; S133-T168 PolarHBondContact O-OG1 3.3Å; Y135-T168 HydrophobicContact CD2-CG2 3.83Å; Y135-T168 HydrophobicContact CE2-CG2 3.35Å; Y166-T168 HydrophobicContact CD1-CG2 4.41Å; Y166-T168 HydrophobicContact CE1-CG2 3.63Å; T168-P203 HydrophobicContact CG2-CG 4.31Å
169R91Very high92.5Very high176 Ų17655.8 Ų55.866%0.66428%0.281SS*.THydrogen-bonded Turntrans-84.9-29.2-179.3170.7177.960.7-179.5-3.3112.6N167N167-R169 VanDerWaalsContact C-N 3.26Å; N167-R169 PolarHBondContact O-N 2.95Å; N167-R169 WeakPolarHBondContact OD1-CA 3.42Å; N167-R169 WeakPolarHBondContact OD1-CB 3.5Å; N167-R169 PolarHBondContact OD1-N 3.49Å
170T88.3Confident92.5Very high80 Ų8050.3 Ų50.349%0.49126%0.257SS..THydrogen-bonded Turntrans-102.2-5.9176.361.60000113.6N167 N172N167-T170 PolarHBondContact O-N 2.78Å; N167-T170 PolarHBondContact OD1-N 3.37Å; N167-T170 VanDerWaalsContact OD1-N 3.12Å; T170-N172 PolarHBondContact O-N 2.99Å; T170-N172 PolarHBondContact O-ND2 3.49Å
171D86.6Confident92.5Very high69 Ų6949.3 Ų49.337%0.36925%0.247SC..THydrogen-bonded Turntrans49.835.2-171.9-164.334.3000113.8K75 Y166 N167K75-D171 IonicContact NZ-OD1 3.2Å; K75-D171 PolarHBondContact NZ-OD1 3.23Å; K75-D171 IonicContact NZ-OD2 2.74Å; K75-D171 PolarHBondContact NZ-OD2 3.23Å; Y166-D171 WeakPolarHBondContact CE2-OD1 3.41Å; Y166-D171 PolarHBondContact OH-OD1 3.41Å; N167-D171 WeakPolarHBondContact O-CA 3.41Å; N167-D171 PolarHBondContact O-N 2.98Å
172N85.2Confident92.5Very high98 Ų9850.9 Ų50.952%0.52427%0.265SS..EExtended strand (participates in β ladder)trans-135.2145.8-172.7-86.1-73.9000112N167 T170N167-N172 PolarHBondContact N-O 2.83Å; T170-N172 PolarHBondContact O-N 2.99Å; T170-N172 PolarHBondContact O-ND2 3.49Å
173C88.9Confident92.6Very high24 Ų2451.7 Ų51.716%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-90143.6169.3-610000110.5P35 L164 V165P35-C173 HydrophobicContact CB-CB 3.96Å; L164-C173 HydrophobicContact CD1-CB 4.04Å; V165-C173 CarbonylContact O-C 3.53Å; V165-C173 WeakPolarHBondContact O-CA 3.32Å
174R90.4Very high92.7Very high77 Ų7754.2 Ų54.229%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-138.6150.6173.472.3-171.8-170.3-78.16.8111G128 D134 V165 V176G128-R174 PolarHBondContact O-NH2 3.39Å; D134-R174 IonicContact OD1-CZ 2.68Å; D134-R174 IonicContact OD1-NH1 3.12Å; D134-R174 PolarHBondContact OD1-NH1 2.94Å; D134-R174 IonicContact OD1-NH2 2.71Å; D134-R174 PolarHBondContact OD1-NH2 2.76Å; D134-R174 IonicContact OD2-CZ 3.3Å; D134-R174 IonicContact OD2-NH1 2.64Å; D134-R174 PolarHBondContact OD2-NH1 2.94Å; D134-R174 IonicContact OD2-NH2 3.46Å; D134-R174 PolarHBondContact OD2-NH2 3.34Å; V165-R174 PolarHBondContact N-O 3.23Å; V165-R174 PolarHBondContact O-N 2.89Å; R174-V176 HydrophobicContact CG-CG2 3.97Å
175D91Very high92.9Very high102 Ų10257.4 Ų57.455%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-75.1129.7168.1-71-32.4000109.7K162K162-D175 WeakPolarHBondContact CE-OD1 3.35Å; K162-D175 WeakPolarHBondContact CE-OD2 3.42Å; K162-D175 IonicContact NZ-OD1 3.37Å; K162-D175 PolarHBondContact NZ-OD1 3.41Å; K162-D175 IonicContact NZ-OD2 2.58Å; K162-D175 PolarHBondContact NZ-OD2 3.23Å
176V95.2Very high93Very high6 Ų659 Ų594%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-121.6127.4174.8175.70000108.6A127 L129 L163 V165 R174A127-V176 HydrophobicContact CB-CG1 3.82Å; A127-V176 WeakPolarHBondContact O-CG1 3.37Å; L129-V176 HydrophobicContact CD2-CB 4.45Å; L129-V176 HydrophobicContact CD2-CG1 3.95Å; L129-V176 HydrophobicContact CD2-CG2 4.32Å; L129-V176 HydrophobicContact CG-CG1 4.31Å; L163-V176 PolarHBondContact N-O 3.36Å; L163-V176 PolarHBondContact O-N 3.44Å; V165-V176 HydrophobicContact CB-CG2 3.9Å; V165-V176 HydrophobicContact CG2-CB 3.84Å; V165-V176 HydrophobicContact CG2-CG2 3.59Å; R174-V176 HydrophobicContact CG-CG2 3.97Å
177M96.5Very high93.1Very high130 Ų13066.4 Ų66.464%0.6438%0.382SS*.EExtended strand (participates in β ladder)trans-100114.7173.7-172.9175.3-69.500108.9A127 P160 L161A127-M177 WeakPolarHBondContact CB-O 3.43Å; P160-M177 HydrophobicContact CB-CG 3.9Å; P160-M177 HydrophobicContact CB-SD 3.82Å; L161-M177 WeakPolarHBondContact O-CA 3.44Å
178V96.8Very high93.2Very high1 Ų168.7 Ų68.71%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-117.7144178.465.10000109.7P123 A127 L161 L163 P180 L190P123-V178 HydrophobicContact CB-CG2 4.34Å; A127-V178 HydrophobicContact CB-CB 3.68Å; A127-V178 HydrophobicContact CB-CG2 3.81Å; L161-V178 HydrophobicContact CB-CG1 4.37Å; L161-V178 PolarHBondContact N-O 3.39Å; L161-V178 PolarHBondContact O-N 2.85Å; L163-V178 HydrophobicContact CD1-CG1 3.65Å; L163-V178 HydrophobicContact CG-CG1 4.03Å; V178-P180 WeakPolarHBondContact O-CD 3.42Å; V178-L190 HydrophobicContact CG1-CD2 4.43Å; V178-L190 HydrophobicContact CG2-CD2 3.67Å
179T97Very high93.4Very high65 Ų6567.8 Ų67.840%0.39940%0.401SS..  trans-114.897.2175.9-59.90000108.3P123 N181P123-T179 WeakPolarHBondContact CB-O 3.48Å; T179-N181 PolarHBondContact O-N 2.75Å
180P96.8Very high93.6Very high0 Ų060 Ų600%037%0.373CS..  trans-53.4135.7175.9-26.135.3000111.5I153 H156 G158 K159 V178 S189 L190I153-P180 HydrophobicContact CD1-CG 4.39Å; I153-P180 HydrophobicContact CG2-CB 3.84Å; I153-P180 HydrophobicContact CG2-CG 3.94Å; H156-P180 HydrophobicContact CB-CG 4.18Å; G158-P180 PolarHBondContact N-O 3.43Å; K159-P180 WeakPolarHBondContact O-CD 3.48Å; V178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-S189 CarbonylContact C-O 3.57Å; P180-S189 WeakPolarHBondContact CA-O 3.3Å; P180-L190 HydrophobicContact CB-CD2 4.4Å; P180-L190 HydrophobicContact CG-CD2 4.17Å
181N96.9Very high94Very high61 Ų6156.3 Ų56.333%0.32635%0.351SS..  trans-154.5104.3179.6173.215.5000108.7P123 E157 T179 A183 W184 S189P123-N181 HydrophobicContact CG-CB 4.13Å; E157-N181 VanDerWaalsContact OE1-CA 3.25Å; E157-N181 WeakPolarHBondContact OE1-CA 3.38Å; T179-N181 PolarHBondContact O-N 2.75Å; N181-A183 VanDerWaalsContact C-N 3.29Å; N181-A183 WeakPolarHBondContact OD1-CA 3.46Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 2.86Å; N181-W184 HydrophobicContact CB-CB 4.45Å; N181-W184 WeakPolarHBondContact O-CB 3.41Å; N181-W184 PolarHBondContact OD1-N 2.85Å; N181-S189 PolarHBondContact N-O 3.24Å
182G94.8Very high94.5Very high39 Ų3954.3 Ų54.340%0.40234%0.341SS..THydrogen-bonded Turntrans-76.2-11.2175.100000114.3E157 W184 S189E157-G182 PolarHBondContact OE1-N 3.48Å; E157-G182 PolarHBondContact OE2-N 2.87Å; G182-W184 VanDerWaalsContact C-N 3.33Å; G182-S189 PolarHBondContact N-OG 2.8Å
183A95.3Very high95Very high90 Ų9051 Ų5174%0.74433%0.331SS*.THydrogen-bonded Turntrans-93.314.6174.500000113.1N181 G185N181-A183 VanDerWaalsContact C-N 3.29Å; N181-A183 WeakPolarHBondContact OD1-CA 3.46Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 2.86Å; A183-G185 VanDerWaalsContact C-N 3.32Å; A183-G185 PolarHBondContact O-N 3.46Å
184W95.9Very high95.3Very high53 Ų5351.7 Ų51.720%0.20133%0.333CS..SBendtrans-71.4-20.1-177.175.7-73.5000114.9E119 S122 P123 N181 G182 E187 G188E119-W184 HydrophobicContact CB-CH2 3.61Å; E119-W184 HydrophobicContact CB-CZ2 4.44Å; E119-W184 HydrophobicContact CB-CZ3 4.4Å; E119-W184 HydrophobicContact CG-CH2 4.23Å; S122-W184 VanDerWaalsContact CA-CZ3 3.46Å; P123-W184 HydrophobicContact CG-CB 4.24Å; P123-W184 HydrophobicContact CG-CG 4.25Å; N181-W184 HydrophobicContact CB-CB 4.45Å; N181-W184 WeakPolarHBondContact O-CB 3.41Å; N181-W184 PolarHBondContact OD1-N 2.85Å; G182-W184 VanDerWaalsContact C-N 3.33Å; W184-E187 PolarHBondContact NE1-O 3.15Å; W184-G188 VanDerWaalsContact CD1-O 3.26Å; W184-G188 PolarHBondContact NE1-O 2.68Å
185G94.5Very high95.5Very high79 Ų7948.3 Ų48.381%0.81432%0.321SS*.SBendtrans112.6-2.8173.500000116.5A183A183-G185 VanDerWaalsContact C-N 3.32Å; A183-G185 PolarHBondContact O-N 3.46Å
186G94.6Very high95.6Very high33 Ų3346.7 Ų46.734%0.3431%0.308SS..SBendtrans-122.9-154.3171.900000112.6
187E95.1Very high95.4Very high162 Ų16247.4 Ų47.476%0.75732%0.316SS*.SBendtrans-85.5137.4-174.8-167170.3166.400113.4W184 G191W184-E187 PolarHBondContact NE1-O 3.15Å; E187-G191 WeakPolarHBondContact O-CA 3.4Å; E187-G191 PolarHBondContact O-N 3Å
188G94.5Very high95.1Very high50 Ų5050.3 Ų50.352%0.51532%0.322SS..THydrogen-bonded Turntrans63.5-176.7178.900000114.9W184W184-G188 VanDerWaalsContact CD1-O 3.26Å; W184-G188 PolarHBondContact NE1-O 2.68Å
189S95.4Very high94.8Very high28 Ų2857.2 Ų57.220%0.19636%0.358CS..THydrogen-bonded Turntrans-86.2-7.9178.6-64.40000114.9E157 P180 N181 G182E157-S189 VanDerWaalsContact OE2-CB 3.28Å; E157-S189 WeakPolarHBondContact OE2-CB 3.2Å; E157-S189 PolarHBondContact OE2-OG 3.32Å; P180-S189 CarbonylContact C-O 3.57Å; P180-S189 WeakPolarHBondContact CA-O 3.3Å; N181-S189 PolarHBondContact N-O 3.24Å; G182-S189 PolarHBondContact N-OG 2.8Å
190L96.3Very high94.7Very high14 Ų1456.4 Ų56.47%0.07335%0.349CS..THydrogen-bonded Turntrans-113.4-26.4178.8-67-177.3000113.9S122 P123 A124 F149 I153 V178 P180S122-L190 WeakPolarHBondContact CB-O 3.48Å; S122-L190 PolarHBondContact OG-O 3.4Å; P123-L190 WeakPolarHBondContact CD-O 3.33Å; A124-L190 HydrophobicContact CB-CB 4.49Å; A124-L190 WeakPolarHBondContact CB-O 3.46Å; A124-L190 PolarHBondContact N-O 2.75Å; F149-L190 HydrophobicContact CZ-CD1 4.24Å; I153-L190 HydrophobicContact CD1-CD1 3.99Å; I153-L190 HydrophobicContact CD1-CD2 4.4Å; I153-L190 HydrophobicContact CG1-CD1 4.06Å; I153-L190 HydrophobicContact CG2-CD1 4.42Å; I153-L190 HydrophobicContact CG2-CD2 4.33Å; I153-L190 HydrophobicContact CG2-CG 4.04Å; V178-L190 HydrophobicContact CG1-CD2 4.43Å; V178-L190 HydrophobicContact CG2-CD2 3.67Å; P180-L190 HydrophobicContact CB-CD2 4.4Å; P180-L190 HydrophobicContact CG-CD2 4.17Å
191G96.3Very high94.4Very high2 Ų259.5 Ų59.52%0.02136%0.361CS..SBendtrans57.246.6-169.300000113.2E119 S122 E187E119-G191 PolarHBondContact N-O 3.25Å; S122-G191 WeakPolarHBondContact CB-O 3.41Å; S122-G191 PolarHBondContact OG-O 2.93Å; E187-G191 WeakPolarHBondContact O-CA 3.4Å; E187-G191 PolarHBondContact O-N 3Å
192C96.8Very high94.1Very high26 Ų2658 Ų5818%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-146.9150166.263.40000111.1V115 D117 V118 A124V115-C192 HydrophobicContact CG1-CB 4.46Å; D117-C192 CarbonylContact O-C 3.6Å; D117-C192 WeakPolarHBondContact O-CA 3.48Å; D117-C192 VanDerWaalsContact O-CB 3.29Å; D117-C192 WeakPolarHBondContact O-CB 3.35Å; V118-C192 HydrophobicContact CB-CB 4.31Å; V118-C192 HydrophobicContact CG1-CB 4.43Å; V118-C192 HydrophobicContact CG2-CB 3.87Å; A124-C192 HydrophobicContact CB-CB 3.8Å
193G96.1Very high93.6Very high30 Ų3059.4 Ų59.431%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-75.414017000000110.7L116 D117L116-G193 WeakPolarHBondContact CB-O 3.46Å; L116-G193 PolarHBondContact N-O 3.46Å; D117-G193 PolarHBondContact O-N 2.9Å
194I95.6Very high92.5Very high38 Ų3858.9 Ų58.920%0.19535%0.351CS..EExtended strand (participates in β ladder)trans-120.8122.4177.5-61.9-65.5000109.2W113 I136 F149 F150W113-I194 HydrophobicContact CB-CG2 3.81Å; W113-I194 HydrophobicContact CG-CG2 4.26Å; I136-I194 HydrophobicContact CD1-CD1 4.18Å; F149-I194 HydrophobicContact CE1-CD1 4.36Å; F149-I194 HydrophobicContact CE1-CG1 4.16Å; F149-I194 HydrophobicContact CE1-CG2 4.32Å; F150-I194 HydrophobicContact CZ-CG2 4.49Å
195G94.8Very high91.1Very high5 Ų559.6 Ų59.65%0.05236%0.361CS..EExtended strand (participates in β ladder)trans-102.8143.217400000112H114 H200H114-G195 PolarHBondContact N-O 2.75Å; H114-G195 PolarHBondContact O-N 3.48Å; G195-H200 VanDerWaalsContact C-CG 3.46Å
196Y92.9Very high89.1Confident69 Ų6961.3 Ų61.327%0.27136%0.357SS..  trans-139.2160.7-179.2-176.4-102.3000111.6E110 V112 W113 L146 H200E110-Y196 VanDerWaalsContact O-CE2 3.27Å; E110-Y196 WeakPolarHBondContact O-CE2 3.25Å; V112-Y196 WeakPolarHBondContact O-CD2 3.39Å; W113-Y196 HydrophobicContact CG-CD2 4.49Å; W113-Y196 HydrophobicContact CZ2-CE2 4.33Å; W113-Y196 AromaticContact NE1-CD2 3.89Å; L146-Y196 HydrophobicContact CB-CD1 3.97Å; L146-Y196 HydrophobicContact CB-CE1 3.98Å; L146-Y196 HydrophobicContact CB-CG 4.32Å; L146-Y196 HydrophobicContact CD1-CD1 4.06Å; L146-Y196 HydrophobicContact CD1-CD2 4.08Å; L146-Y196 HydrophobicContact CD1-CG 3.67Å; L146-Y196 HydrophobicContact CD2-CD1 4.14Å; L146-Y196 HydrophobicContact CG-CD1 4.28Å; L146-Y196 HydrophobicContact CG-CG 4.38Å; Y196-H200 PolarHBondContact O-CD2 3.02Å
197G90.4Very high86.8Confident20 Ų2065.9 Ų65.921%0.20637%0.37CS..SBendtrans85.5-165.6179.300000113.7L199 H200 R201G197-L199 PolarHBondContact O-N 3.06Å; G197-H200 CarbonylContact O-C 3.56Å; G197-H200 WeakPolarHBondContact O-CA 3.33Å; G197-H200 PolarHBondContact O-N 3.39Å; G197-R201 PolarHBondContact O-N 2.81Å
198Y89.4Confident84.3Confident192 Ų19266.7 Ų66.775%0.75338%0.376SS*.G310 helixtrans-54.7-42.2-161.4-173.4-103.7000115.5H200Y198-H200 VanDerWaalsContact C-N 3.25Å; Y198-H200 PolarHBondContact O-N 3.15Å
199L92.2Very high81.7Confident145 Ų14569.8 Ų69.876%0.75939%0.39SS*.G310 helixtrans-77.7-8.7179.8-61.4178.5000113.9G197G197-L199 PolarHBondContact O-N 3.06Å
200H93.6Very high79.1Confident49 Ų4974.6 Ų74.623%0.22742%0.418CS..G310 helixtrans-115.412.4-176.2-64.3-79.9000112.5H114 Y135 G195 Y196 G197 Y198H114-H200 HydrophobicContact CB-CB 3.7Å; H114-H200 AromaticContact CG-ND1 3.84Å; H114-H200 AromaticContact ND1-ND1 3.27Å; H114-H200 PolarHBondContact ND1-ND1 2.93Å; Y135-H200 WeakPolarHBondContact CE1-O 3.49Å; G195-H200 VanDerWaalsContact C-CG 3.46Å; Y196-H200 PolarHBondContact O-CD2 3.02Å; G197-H200 CarbonylContact O-C 3.56Å; G197-H200 WeakPolarHBondContact O-CA 3.33Å; G197-H200 PolarHBondContact O-N 3.39Å; Y198-H200 VanDerWaalsContact C-N 3.25Å; Y198-H200 PolarHBondContact O-N 3.15Å
201R91.1Very high76.6Confident65 Ų6582 Ų8225%0.24545%0.452CS..SBendtrans-72.4158.1169.2-61.6-174.6-174.5-165.60.3110.6N109 E110 Y135 G197N109-R201 WeakPolarHBondContact O-CD 3.28Å; E110-R201 IonicContact OE1-CZ 3.45Å; E110-R201 IonicContact OE1-NH1 2.96Å; E110-R201 PolarHBondContact OE1-NH1 3.21Å; E110-R201 IonicContact OE1-NH2 3.49Å; E110-R201 PolarHBondContact OE1-NH2 3.29Å; E110-R201 IonicContact OE2-NH2 3.46Å; Y135-R201 WeakPolarHBondContact CE1-O 3.43Å; G197-R201 PolarHBondContact O-N 2.81Å
202I89.8Confident73.6Confident28 Ų2891.3 Ų91.314%0.14449%0.492CS..PPolyproline II helixtrans-59.7131.2171.4-71.9162000108.8F36 F37 V112 Y135 V137 Y166 A204F36-I202 HydrophobicContact CD1-CD1 4.15Å; F36-I202 HydrophobicContact CE1-CD1 3.8Å; F37-I202 HydrophobicContact CE1-CD1 3.79Å; F37-I202 HydrophobicContact CE1-CG2 4.01Å; F37-I202 HydrophobicContact CZ-CD1 3.9Å; F37-I202 HydrophobicContact CZ-CG2 4.17Å; V112-I202 HydrophobicContact CG1-CD1 4.17Å; V112-I202 HydrophobicContact CG1-CG1 4.14Å; V112-I202 HydrophobicContact CG2-CD1 4.35Å; Y135-I202 HydrophobicContact CD1-CG1 3.77Å; Y135-I202 HydrophobicContact CD2-CG1 4.41Å; Y135-I202 HydrophobicContact CE1-CG1 4.34Å; Y135-I202 HydrophobicContact CG-CG1 3.8Å; V137-I202 HydrophobicContact CG1-CD1 3.71Å; Y166-I202 HydrophobicContact CD1-CD1 3.56Å; Y166-I202 HydrophobicContact CD1-CG1 3.7Å; Y166-I202 HydrophobicContact CD1-CG2 4.16Å; Y166-I202 HydrophobicContact CE1-CB 4.36Å; Y166-I202 HydrophobicContact CE1-CD1 4.09Å; Y166-I202 HydrophobicContact CE1-CG1 3.93Å; Y166-I202 HydrophobicContact CE1-CG2 3.52Å; Y166-I202 HydrophobicContact CG-CD1 4.11Å; I202-A204 PolarHBondContact O-N 3Å; I202-A204 VanDerWaalsContact O-N 3.15Å
203P84.3Confident71Confident69 Ų6995.6 Ų95.645%0.44852%0.52SS..PPolyproline II helixtrans-57.6120.5176-24.934.4000110.6T168 T205T168-P203 HydrophobicContact CG2-CG 4.31Å; P203-T205 PolarHBondContact O-N 3.45Å
204A73.9Confident68.1Low80 Ų8099.7 Ų99.766%0.66154%0.544SS*.  trans-67.898.8168.100000108I202 P206I202-A204 PolarHBondContact O-N 3Å; I202-A204 VanDerWaalsContact O-N 3.15Å; A204-P206 WeakPolarHBondContact O-CD 3.34Å
205T65.5Low65.7Low68 Ų68104.7 Ų104.742%0.41757%0.569SS.*  trans-66.3115.4170.141.90000108.2P203 E207P203-T205 PolarHBondContact O-N 3.45Å; T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 PolarHBondContact O-N 2.93Å
206P51.8Low63.3Low114 Ų114110.2 Ų110.274%0.7460%0.604SS**  trans-70.397.3169.830-31.4000107.1A204 M208A204-P206 WeakPolarHBondContact O-CD 3.34Å; P206-M208 PolarHBondContact O-N 3.33Å
207E48Very low60.8Low129 Ų129113.4 Ų113.460%0.60363%0.631SS**  trans-45.9108.2165.6-76.4-67139.600108.1T205 S209T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 PolarHBondContact O-N 2.93Å; E207-S209 VanDerWaalsContact C-N 3.27Å; E207-S209 PolarHBondContact O-N 3.43Å
208M42.2Very low58.5Low179 Ų179116.9 Ų116.988%0.88266%0.657SS**  trans-67.894.7175.4-70.6-169.2-163.700107P206 T210P206-M208 PolarHBondContact O-N 3.33Å; M208-T210 PolarHBondContact O-N 3.43Å
209S39.2Very low56.3Low116 Ų116117 Ų11781%0.81166%0.664SS**  trans-53.8117.4-175.1-45.70000109.8E207 E211E207-S209 VanDerWaalsContact C-N 3.27Å; E207-S209 PolarHBondContact O-N 3.43Å; S209-E211 PolarHBondContact O-N 2.95Å
210T40.9Very low53.6Low128 Ų128119.3 Ų119.379%0.78567%0.672SS**  trans-47.6130.9-178.9-52.60000111.3M208M208-T210 PolarHBondContact O-N 3.43Å
211E43.4Very low50.8Low170 Ų170125.9 Ų125.979%0.79470%0.699SS**  trans25.9102.5164.6-60-170.7129.200117.4S209 P213S209-E211 PolarHBondContact O-N 2.95Å; E211-P213 WeakPolarHBondContact O-CD 3.48Å
212K33.3Very low48Very low197 Ų197128.6 Ų128.686%0.85773%0.729SS**  trans-54.2126.9147.3-89.7-179.5175.6172.90108.2S214K212-S214 PolarHBondContact O-N 2.73Å
213P41.7Very low45.2Very low116 Ų116132.5 Ų132.575%0.75376%0.758SS**  trans-57118.2173.3-24.634.2000109.9E211 I215E211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-I215 PolarHBondContact O-N 3.47Å
214S36.4Very low43.3Very low116 Ų116135 Ų13581%0.81177%0.774SS**  trans-72.990.5176.735.20000109.3K212 P216K212-S214 PolarHBondContact O-N 2.73Å; S214-P216 WeakPolarHBondContact O-CD 3.41Å
215I45.2Very low41.5Very low144 Ų144139 Ų13974%0.73878%0.779SS**  trans-60.1120.5170.5-57.2172.7000107.8P213 V217P213-I215 PolarHBondContact O-N 3.47Å; I215-V217 PolarHBondContact O-N 3.36Å; I215-V217 VanDerWaalsContact O-N 3.1Å
216P45.3Very low39.9Very low121 Ų121142.4 Ų142.479%0.78679%0.791SS**  trans-72.7106.8176.528.9-32.3000109.3S214 A218S214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-A218 PolarHBondContact O-N 2.93Å
217V39.8Very low39.5Very low136 Ų136142 Ų14282%0.82479%0.788SS**  trans-74.6109.7171.7177.20000108.5I215I215-V217 PolarHBondContact O-N 3.36Å; I215-V217 VanDerWaalsContact O-N 3.1Å
218A41.4Very low38.9Very low92 Ų92140.8 Ų140.876%0.7679%0.789SS**  trans-74.3138.816800000110.4P216P216-A218 PolarHBondContact O-N 2.93Å
219E44.1Very low38.7Very low194 Ų194141.3 Ų141.391%0.90779%0.789SS**  trans-75129.4170.5-62.1-176.8110.900110.9
220E34Very low38.5Very low195 Ų195138.4 Ų138.491%0.91178%0.778SS**  trans-151149.8141.2-145.5175.112700113.1
221K35.4Very low38.6Very low186 Ų186143.8 Ų143.881%0.80979%0.785SS**  trans-80.9147.1-178.1-72.4165.4172.1163.40112.2
222S32Very low38.7Very low123 Ų123142.3 Ų142.386%0.8679%0.788SS**  161.5151105.351.80000113.1
223S32.4Very low39.3Very low110 Ų110141.9 Ų141.977%0.76979%0.789SS**  trans-107.8160170.9570000110.3
224P44.2Very low39.3Very low120 Ų120140.7 Ų140.778%0.77979%0.789SS**  -149.9147.593.833.8-14000118.3
225Q34.3Very low39.7Very low165 Ų165141 Ų14177%0.77179%0.789SS**  trans-0155.1141.4-84.9-176-73.100121
226E33.7Very low39.4Very low139 Ų139142.6 Ų142.665%0.6580%0.798SS**  cis-165-172.318.8-94.8-108.9148.900108.6
227P42.6Very low39.1Very low105 Ų105145.2 Ų145.268%0.68280%0.801SS**  cis-138.2162.7641.6-22.5000119.3
228T35.8Very low39.1Very low104 Ų104143.2 Ų143.264%0.63880%0.8SS**  trans15.7128.3148.565.80000123.8
229H37.3Very low39Very low190 Ų190144.9 Ų144.988%0.8880%0.803SS**  -167.2160.2100.5-115.3-92.1000112
230G35.9Very low38.4Very low55 Ų55140.4 Ų140.457%0.56779%0.793SS**  trans-44.8164.2-167.500000119.1
231Y43.2Very low38.5Very low241 Ų241137.6 Ų137.695%0.94579%0.789SS**  -140.9164.852.7-67.2-89.8000115.1
232T45.6Very low39Very low139 Ų139133.9 Ų133.985%0.85378%0.784SS**  trans-80.9137.3-174.9-58.80000113.9
233E44.4Very low39.2Very low188 Ų188134 Ų13488%0.87978%0.784SS**  trans-75.4141.7171.1-131.9179.9117.600112.1
234A41.6Very low39.1Very low92 Ų92132.3 Ų132.376%0.7679%0.785SS**  trans-120.2110.5-176.900000111.9
235P45.2Very low38.6Very low123 Ų123134.1 Ų134.180%0.79979%0.788SS**  trans-84128.917432.2-31.7000111.1
236L39.3Very low38.7Very low176 Ų176132.9 Ų132.992%0.92179%0.786SS**  trans-92.2104.1174.2-71.1176.1000111
237M38.3Very low38.8Very low176 Ų176133.6 Ų133.687%0.86779%0.793SS**PPolyproline II helixtrans-97.2144.6160.8-69.4-151.277.400110.8
238A39.8Very low38.4Very low95 Ų95135.2 Ų135.279%0.78580%0.796SS**PPolyproline II helixtrans-83.8132.4176.400000111.9
239P39.3Very low38.4Very low127 Ų127135 Ų13583%0.82580%0.795SS**PPolyproline II helixtrans-93.4166.617235.9-33.1000112.9
240S32.2Very low38.2Very low100 Ų100133.3 Ų133.370%0.69979%0.787SS**  trans-131.8171.4-171.9-50.20000113.7
241T35.2Very low38.2Very low136 Ų136138.2 Ų138.283%0.83480%0.795SS**  trans79.8162.7161.975.20000117.7
242P47.4Very low37.8Very low107 Ų107134.5 Ų134.570%0.69579%0.79SS**  cis-139.8173.48.743.5-25.9000119.6
243S35Very low37.1Very low125 Ų125133.3 Ų133.387%0.87478%0.782SS**  trans70.4134.5155.7-52.50000119.8
244G31.7Very low36.9Very low75 Ų75132.3 Ų132.377%0.77378%0.783SS**  cis152.1130.5-12.100000112.7
245D32.4Very low36.5Very low159 Ų159136 Ų13685%0.8579%0.788SS**  trans-167.1161.1146.5-130.8-30000114
246L36.5Very low35.9Very low139 Ų139136.8 Ų136.873%0.72879%0.786SS**  trans-53.8152.9-166.1-91.3160.6000124
247L36.8Very low35.6Very low154 Ų154133.9 Ų133.981%0.80678%0.781SS**  trans72.4157.7155.2-56.3162.2000119.5
248D33Very low35.4Very low139 Ų139131.4 Ų131.474%0.74378%0.775SS**  cis-172.8168.6-35.8-173.720000107.8
249V35.6Very low35.3Very low100 Ų100134.1 Ų134.161%0.60677%0.774SS**  trans82105.5159.8-164.70000121
250E34.5Very low35.5Very low154 Ų154133.5 Ų133.572%0.7277%0.771SS**  trans64.1132.4137.6-60.8-174.1112.600126.8
251Q36.3Very low36.4Very low158 Ų158134.4 Ų134.474%0.73877%0.774SS**  trans35.6128.5134.2-52.8-178.247.200121.4
252I33.7Very low36.9Very low163 Ų163133.7 Ų133.784%0.83677%0.772SS**  -173.2149107.5-91151.9000110.4
253T31.5Very low36.9Very low113 Ų113134.9 Ų134.969%0.69378%0.779SS**  trans-85150.7-176.346.10000114.7
254L38.9Very low36.7Very low168 Ų168136.4 Ų136.488%0.8878%0.778SS**  trans29.8117145.4-61.2174.1000118.7
255L34.3Very low36.8Very low169 Ų169140.9 Ų140.989%0.88578%0.779SS**  trans-118.9105.8165.1-59.7177000110.3
256D32.2Very low36.9Very low140 Ų140138.6 Ų138.675%0.74977%0.77SS**  trans-70.2163.2162.8-178.328.2000110.6V258D256-V258 WeakPolarHBondContact OD2-CG2 3.34Å
257S32.5Very low36.8Very low115 Ų115138 Ų13880%0.80477%0.773SS**  trans-139.5103.4178.1-77.80000112.3
258V34.1Very low36.8Very low124 Ų124140 Ų14075%0.75278%0.78SS**PPolyproline II helixtrans-103.5149.6-177.1170.40000111.7D256D256-V258 WeakPolarHBondContact OD2-CG2 3.34Å
259I38.2Very low36.8Very low151 Ų151140.3 Ų140.377%0.77478%0.782SS**PPolyproline II helixtrans-72.1144.1-178.1-63.5154000112.1
260P44.6Very low36.6Very low115 Ų115140.8 Ų140.875%0.74779%0.789SS**PPolyproline II helixtrans-91.4144.7173.834.8-33.5000114.2
261P49.3Very low36.3Very low118 Ų118137.2 Ų137.277%0.76679%0.794SS**PPolyproline II helixtrans-100.2166.4171.338.4-33.8000113.6
262P47Very low36.1Very low122 Ų122138.3 Ų138.379%0.79280%0.804SS**PPolyproline II helixtrans-83.9157.7174.134.7-34.9000113.4
263P46.4Very low36Very low131 Ų131136.1 Ų136.185%0.85180%0.803SS**PPolyproline II helixtrans-97161.3-177.938.2-35.1000114.2
264D30.3Very low36Very low157 Ų157136.9 Ų136.984%0.8480%0.803SS**  trans-144.8173172.3-151.3-22.4000109.8
265Q34.1Very low36Very low170 Ų170134.5 Ų134.579%0.79480%0.801SS**  trans100.9139.1-176.6-60.6-176.746.700116
266T34.3Very low36.1Very low110 Ų110134.8 Ų134.868%0.67580%0.797SS**  cis-166.5148.1-3.221.30000112.1
267V34.6Very low36.3Very low128 Ų128134.8 Ų134.878%0.77680%0.802SS**  trans61.3118.9143.5178.90000120.7
268M37.3Very low36.4Very low196 Ų196133.5 Ų133.597%0.96680%0.799SS**  -145.6160125.6-80.2-146.117200110.8
269D33.6Very low36.4Very low144 Ų144133.7 Ų133.777%0.7780%0.8SS**  trans-112174.5-164.4167.765.3000113.3
270S31.7Very low36.3Very low110 Ų110135 Ų13577%0.76981%0.805SS**  trans84.6127.7161.5-770000119.5
271G27.8Very low36Very low80 Ų80135 Ų13583%0.82581%0.807SS**  trans156.8101.6159.300000115.4
272L31.4Very low35.6Very low180 Ų180135.4 Ų135.494%0.94281%0.81SS**  trans-87.9174.3178.3-68.5165.3000113.5
273S32.2Very low34.9Very low117 Ų117136.6 Ų136.682%0.81881%0.81SS**  trans98.6105.5161.5-142.30000114.5
274D31.3Very low34.8Very low130 Ų130136.2 Ų136.270%0.69581%0.807SS**  95.511458.2-170.4-75.5000112.4
275S39.4Very low35.1Very low118 Ų118132.7 Ų132.783%0.82580%0.8SS**  trans-170.4119.3141.8-81.30000110.3
276E35.8Very low35.3Very low174 Ų174131.9 Ų131.981%0.81380%0.801SS**  trans-79.2165.6173.1-49.6175.410700111.2
277V37Very low35.6Very low141 Ų141135 Ų13586%0.85581%0.813SS**  trans-176.9128.9132144.50000112.8
278A33.3Very low35.8Very low88 Ų88136.8 Ų136.873%0.72782%0.817SS**  trans54.795.8152.300000122.2
279V34.9Very low35.7Very low128 Ų128133.4 Ų133.478%0.77680%0.803SS**  -20.6130.2128.1178.80000115.6
280M36.7Very low36Very low179 Ų179138 Ų13888%0.88281%0.809SS**  -169.7114.2128.4-109.3161.759.600113
281S37.8Very low36.3Very low113 Ų113139 Ų13979%0.7981%0.806SS**  trans-78.7154.5164.4-28.10000110.7
282P40.7Very low36.6Very low128 Ų128142.5 Ų142.583%0.83181%0.805SS**  trans-128.2162139.135.1-24.8000113.8
283D32.9Very low36.9Very low146 Ų146140.1 Ų140.178%0.78180%0.798SS**  trans-78.7150.2-171.1-167.6-108.5000113.4A285D283-A285 PolarHBondContact O-N 3.2Å
284P43.9Very low37.2Very low123 Ų123140.1 Ų140.180%0.79980%0.798SS**  trans-93.289.1-174.835.7-33.1000113.3
285A37.5Very low37.4Very low83 Ų83139.8 Ų139.869%0.68680%0.801SS**  trans-154.771.5173.700000114.9D283D283-A285 PolarHBondContact O-N 3.2Å
286D36.6Very low37.3Very low154 Ų154139.5 Ų139.582%0.82480%0.799SS**  trans-169.6112.6140.7-138.8-36.9000111.4
287L41.1Very low37.2Very low176 Ų176136.6 Ų136.692%0.92180%0.798SS**  trans-179.680.4153.5-95.2-164.9000108.2
288L39.7Very low37.5Very low164 Ų164138 Ų13886%0.85980%0.798SS**  trans-123.3154.2164.3-85.7171.6000109.8
289D34.6Very low37.7Very low126 Ų126140.8 Ų140.867%0.67480%0.801SS**  trans68.1120.7-175.6-115.7-90.3000114.7
290R39.6Very low38.1Very low240 Ų240143.5 Ų143.591%0.90681%0.808SS**  -138.2145.659.2-71.5175.866.41502.9115.4
291L37.7Very low38.2Very low132 Ų132140.3 Ų140.369%0.69180%0.799SS**  trans-78.8154.7-177.5-60.9137.1000113.6
292D33.9Very low38.1Very low153 Ų153141.5 Ų141.582%0.81880%0.796SS**  -170.8115.6107.4-111.4-40.8000111.7
293V38.6Very low37.8Very low130 Ų130142 Ų14279%0.78880%0.797SS**  trans-128.9110.3166.4167.70000107.9T295V293-T295 PolarHBondContact O-N 3.39Å
294S38.2Very low38.1Very low117 Ų117139.3 Ų139.382%0.81879%0.79SS**  trans-73.3105178.4-61.40000111.6
295T36.6Very low37.7Very low122 Ų122141.7 Ų141.775%0.74880%0.795SS**  trans-95.2104.8160.653.80000109.9V293V293-T295 PolarHBondContact O-N 3.39Å
296S35.6Very low37.7Very low113 Ų113141.4 Ų141.479%0.7979%0.793SS**  trans-9798.9166.660.10000110.2
297S35Very low37.7Very low113 Ų113142.5 Ų142.579%0.7980%0.795SS**  trans-72.6125.7165.8-53.90000109.8
298I42.5Very low37.5Very low169 Ų169142.2 Ų142.287%0.86779%0.789SS**  trans-133.4113.915357.2133.2000109.9
299D38.1Very low37.9Very low148 Ų148142.9 Ų142.979%0.79179%0.787SS**  trans-117.5126.1154.5-171.7-67.9000105.4
300M42.4Very low38.3Very low184 Ų184145.9 Ų145.991%0.90680%0.797SS**  trans-149.7122.1168.6-155.5148.6-165.300111.8
301T39.8Very low38.5Very low113 Ų113142.8 Ų142.869%0.69379%0.79SS**  trans-72.6141.1-174.554.60000113.7
302N35.4Very low38.7Very low138 Ų138143.4 Ų143.474%0.73879%0.789SS**  trans57.5113.4135.6-166.64.8000119.3
303T35.1Very low38.7Very low137 Ų137139.7 Ų139.784%0.8479%0.788SS**  trans-160.1134138.6-73.50000110.1
304S38.6Very low38.6Very low91 Ų91139.8 Ų139.864%0.63678%0.784SS**  trans-95.5175.1175.1-58.80000112.4
305L35.4Very low38.8Very low172 Ų172142.1 Ų142.190%0.90179%0.785SS**  trans79157.2170.9-51.4171.5000115.4
306A36.7Very low38.8Very low78 Ų78141.5 Ų141.565%0.64579%0.786SS**  cis-175.9153.6-31.900000107.1
307M37.6Very low38.8Very low176 Ų176139.5 Ų139.587%0.86778%0.783SS**  trans44.8120161.3-55-60.4-174.700119.3
308H36.7Very low39Very low171 Ų171139.4 Ų139.479%0.79278%0.778SS**  -164.1142.1106.6-132.7-125000112.7
309E47.5Very low39Very low178 Ų178139 Ų13983%0.83277%0.772SS**  trans-75139.2161.7-62.4160.283.400109.2
310E42.8Very low39Very low189 Ų189139.3 Ų139.388%0.88377%0.769SS**  trans-135.7131.7148.7-67.5-165.1-178.700109.5
311K43.5Very low38.9Very low174 Ų174136.1 Ų136.176%0.75776%0.755SS**  trans-116.5168-171.7-173.5-165.6172.4-151.70108.8
312E41.7Very low38.7Very low145 Ų145139 Ų13968%0.67876%0.76SS**  trans95.9145148.9-117.8149.6-129.700117.6
313G34.7Very low38.5Very low76 Ų76139.1 Ų139.178%0.78476%0.761SS**  trans15255.6-160.100000112.2
314D36.5Very low38.4Very low131 Ų131137 Ų13770%0.70175%0.752SS**  trans-58.3155.9-174.6-57.7-104.3000115.9
315I42.9Very low38Very low166 Ų166137.3 Ų137.385%0.85176%0.76SS**  -153.7120.8115.539.3169.9000112.3
316S36.8Very low37.9Very low110 Ų110137 Ų13777%0.76976%0.758SS**  trans19.9122.5136.3175.10000117.6
317G35.5Very low38.5Very low71 Ų71138.6 Ų138.673%0.73276%0.762SS**  102.7153.162.700000109.2
318V38.4Very low38Very low111 Ų111135.6 Ų135.667%0.67376%0.758SS**  cis-167.7147.222.895.20000109.2
319E41.9Very low37.6Very low160 Ų160132.8 Ų132.875%0.74876%0.758SS**  trans57.3155152.3-65.4157.6-17400118.5
320E39.5Very low36.7Very low154 Ų154129.6 Ų129.672%0.7276%0.756SS**  cis-163.9171.9-4.8-112.2-174.8166.200106
321L39.9Very low36.2Very low118 Ų118124.9 Ų124.962%0.61875%0.749SS**  cis-153.9174.97-119.3171.7000110.2
322E35.4Very low35.7Very low173 Ų173124.3 Ų124.381%0.80875%0.749SS**  trans-19.5161.7146.1-72.5177155.100119.4
323D30.9Very low35.1Very low141 Ų141123.6 Ų123.675%0.75475%0.75SS**  cis-170.6179.61.4159.857.7000109.4
324S32.8Very low34.9Very low91 Ų91127.7 Ų127.764%0.63675%0.748SS**  trans96.4112.4148.7-91.90000121.6
325A31.6Very low34.7Very low98 Ų98125.7 Ų125.781%0.8174%0.744SS**  84.5125.4125.600000122.6
326L33.4Very low34.2Very low165 Ų165127.1 Ų127.186%0.86475%0.747SS**  trans-79.8-175.7155.7-49.4170.6000109.9
327P47.5Very low33.9Very low113 Ų113129.6 Ų129.673%0.73475%0.751SS**  cis-133.5-177.1-24.824.40.1000114.4
328S27.8Very low33.8Very low112 Ų112133 Ų13378%0.78375%0.752SS**  trans57.5120.9146.1-70.20000124.3
329S27.8Very low33.5Very low113 Ų113135 Ų13579%0.7975%0.754SS**  -174.5138.4127.6310000107.9
330S28.4Very low33.1Very low111 Ų111134.8 Ų134.878%0.77675%0.753SS**  cis92.2119.332.9-62.50000114.6
331A33.1Very low32.6Very low89 Ų89133.6 Ų133.674%0.73676%0.756SS**  trans71150.7162.500000118.5
332E32.6Very low32.3Very low163 Ų163132.2 Ų132.276%0.76276%0.756SS**  cis-169.4169.9-14.5-111.7174.196.800109.5
333N29.8Very low32.1Very low130 Ų130132.4 Ų132.470%0.69576%0.757SS**  trans69.3145.2172.1-59.8-63.3000116
334Q30.9Very low31.9Very low162 Ų162129.9 Ų129.976%0.75776%0.756SS**  cis-166171-4.4-115.7171.652.400106.8
335S31.6Very low31.7Very low88 Ų88130.1 Ų130.162%0.61576%0.763SS**  cis-160.6-1766.6-141.10000111.8
336E32.4Very low31.9Very low196 Ų196131.6 Ų131.692%0.91676%0.762SS**  trans74.8148156-75.1179.3122.900122.3
337L31.3Very low31.9Very low162 Ų162131.6 Ų131.685%0.84876%0.757SS**  trans-114.8172.9-165.4-95169.4000112
338L32.5Very low31.2Very low144 Ų144135 Ų13575%0.75477%0.768SS**  trans110.3107.8164.9-63.1151.8000111.8
339E32.1Very low31.5Very low151 Ų151138.1 Ų138.171%0.70677%0.77SS**  52.7132.273.4-69.1-172.2126.900111.7
340Q32.5Very low31.7Very low156 Ų156136.6 Ų136.673%0.72976%0.764SS**  cis165.2160.9-5.4-120.7176.16.600102.8
341V29.8Very low31.9Very low130 Ų130136.5 Ų136.579%0.78876%0.764SS**  trans68139.4151.6167.30000117.1
342S33.6Very low31.9Very low89 Ų89140.4 Ų140.462%0.62277%0.771SS**  cis-174.4173.1-15.861.70000111.5
343H30.5Very low31.8Very low177 Ų177137.6 Ų137.682%0.81978%0.776SS**  trans74.1115.9143.2-96.2-120.5000123.6
344A28.2Very low32.2Very low88 Ų88135.9 Ų135.973%0.72778%0.78SS**  104.1135.6110.300000122.9
345A29.2Very low33Very low96 Ų96134 Ų13479%0.79378%0.781SS**  trans67.4152.6162.300000116.8
346V35.2Very low33Very low129 Ų129137.7 Ų137.778%0.78279%0.794SS**  cis-143.5163.127.3175.40000111.6
347E32Very low33.4Very low164 Ų164135.3 Ų135.377%0.76679%0.793SS**  trans-49.5157.4171.5-53.3165.7111.300116.1
348L34.1Very low33.6Very low184 Ų184138.4 Ų138.496%0.96379%0.794SS**  trans-140.8146150.6-81.4-177000112.5
349H33.7Very low33.7Very low179 Ų179141.6 Ų141.683%0.82980%0.802SS**  trans-118.8156.5-172.2-129.2-97.3000110.9
350A32.2Very low33.6Very low81 Ų81140.3 Ų140.367%0.66980%0.8SS**  trans75108.6152.900000122.3
351S32.3Very low33.9Very low109 Ų109138.3 Ų138.376%0.76280%0.804SS**  59.1121112.5-54.20000124.4
352L33.3Very low34.1Very low170 Ų170135.4 Ų135.489%0.8980%0.8SS**  45.5119.8125.8-72.8152.9000121.5
353A30.5Very low34.2Very low104 Ų104138.8 Ų138.886%0.8682%0.816SS**  trans-161.8145.1133.100000111.6
354A38.5Very low34.5Very low95 Ų95134.3 Ų134.379%0.78581%0.81SS**  trans-94.2175.3171.700000111.5
355P48.4Very low35.5Very low121 Ų121136.1 Ų136.179%0.78681%0.814SS**  trans-119.4119.1159.434.2-21.5000113.1
356D31.7Very low35.7Very low166 Ų166135.8 Ų135.889%0.88881%0.811SS**  trans-83.2137.8155.9-85.5-55000109.9
357T39.9Very low35.4Very low146 Ų146138.4 Ų138.490%0.89682%0.815SS**  trans-145.7147.1155.8440000110.7
358W35Very low35.3Very low228 Ų228137.3 Ų137.386%0.86482%0.82SS**  trans-134.8125.2-153.6179.6-29.4000110.8
359F34.1Very low35.3Very low211 Ų211133.8 Ų133.893%0.92581%0.811SS**  trans-161.3143.8157-75.5-73.6000106.9
360D30.9Very low36Very low124 Ų124130.9 Ų130.966%0.66381%0.808SS**  cis154.5130.5-19.3172.420.9000105.7
361S39.3Very low36.3Very low114 Ų114133.3 Ų133.380%0.79782%0.817SS**  trans63.4142.1169.2-63.80000119.2
362G34.1Very low36.1Very low69 Ų69139 Ų13971%0.71182%0.822SS**  cis158.4119.9-9.100000114.9
363V35.8Very low35.8Very low159 Ų159136.2 Ų136.296%0.96481%0.811SS**  trans80142.2157.7-170.90000120
364A36.8Very low35.7Very low84 Ų84140.1 Ų140.169%0.69481%0.812SS**  trans-96-178.8-176.800000114.3
365P49.4Very low35.4Very low125 Ų125140.3 Ų140.381%0.81281%0.808SS**  -154.5160.5100.439.9-22000119
366A32.7Very low34.6Very low89 Ų89139 Ų13974%0.73681%0.807SS**  trans47.9123.7140.200000125
367E29.6Very low34.4Very low184 Ų184138.5 Ų138.586%0.8680%0.804SS**  trans39.2136.5131.3-50-146.7103.600123.7
368T29.1Very low34.1Very low141 Ų141138.9 Ų138.987%0.86580%0.8SS**  177.5146.9116-66.60000111.3
369S33.2Very low33.9Very low111 Ų111136.7 Ų136.778%0.77680%0.799SS**  trans-87.9-177.9-177.4-40.50000113.9
370P48.6Very low33.7Very low117 Ų117130.3 Ų130.376%0.7678%0.781SS**  trans-95.7172.7-156.339.9-39.8000116.3
371P39.4Very low33.5Very low132 Ų132133.3 Ų133.386%0.85779%0.788SS**  trans-94.6176.3162.537.6-32000113.5
372R27.7Very low33Very low230 Ų230133.5 Ų133.587%0.86878%0.784SS**  trans-147.4157.4-155.5-172.5-159.6174.6-175.8-1.8111.2
373T28.1Very low32.8Very low110 Ų110137.4 Ų137.468%0.67579%0.786SS**  trans87.6147.6151.3-9.90000121
374E27.4Very low32.4Very low186 Ų186137 Ų13787%0.86977%0.774SS**  trans109.1130.8147.4-152.5170117.500115.7
375S32.3Very low32Very low100 Ų100138 Ų13870%0.69977%0.771SS**  cis173.9-179.3-25.2-91.50000106.5
376A31.5Very low31.1Very low92 Ų92144 Ų14476%0.7678%0.777SS**  trans80.8142.8165.100000118.1
377D28.1Very low30.9Very low156 Ų156143.3 Ų143.383%0.83478%0.779SS**  cis-161.9173.6-27.8-137.3-58.1000111
378L33.7Very low31.1Very low155 Ų155141.3 Ų141.381%0.81278%0.78SS**  trans-94.1147.5-174-75.4158.5000115.1
379Q31Very low31.9Very low182 Ų182140.2 Ų140.285%0.8578%0.775SS**  trans-153107.6149.6-70-158.2-5.600110
380S29.7Very low31.8Very low77 Ų77140.1 Ų140.154%0.53877%0.774SS.*  61.7120.793.764.50000115.5
381F26.7Very low32.2Very low187 Ų187140.1 Ų140.182%0.8278%0.775SS**  170.816783.8-81.8-74000109.2
382V28.3Very low33.1Very low117 Ų117138.6 Ų138.671%0.70976%0.764SS**  cis-174.4163.3-34.61050000110.7
383M28.8Very low33.3Very low151 Ų151135.9 Ų135.974%0.74477%0.766SS**  trans71.5125168.4-82.5166.995.400119.3
384E27.7Very low33.4Very low152 Ų152134 Ų13471%0.7177%0.769SS**  77.2142.472.2-75.8-159.8123.500114.4
385T29.7Very low33.6Very low104 Ų104130.9 Ų130.964%0.63876%0.762SS**  cis-166177.111.226.50000112.2
386R30.5Very low33.5Very low250 Ų250136.8 Ų136.894%0.94377%0.769SS**  trans85.5140.3162.7-57.7177.6169.8178.2-4.7117.5
387G28.3Very low33.5Very low75 Ų75137.5 Ų137.577%0.77377%0.769SS**  cis-175162.1-2.400000115
388T32.8Very low33.9Very low142 Ų142137.7 Ų137.787%0.87177%0.769SS**  trans-55.3177.7177.2210000117.3
389P47Very low34.5Very low118 Ų118136 Ų13677%0.76677%0.767SS**  cis-138.3179.6-2.829.2-4.9000117.5
390S31.2Very low34.6Very low109 Ų109133.6 Ų133.676%0.76277%0.765SS**  trans-97.7-157.8171.4-18.40000112.4
391P56.8Low34.6Very low118 Ų118138.9 Ų138.977%0.76678%0.781SS**  cis-122.1-112.1-34.727.3-3.8000109.8
392P57.3Low35Very low99 Ų99133.9 Ų133.964%0.64377%0.774SS**  cis-132.2178.4-49.230-7.8000117
393L32.8Very low35.2Very low173 Ų173135.5 Ų135.591%0.90678%0.778SS**  trans107.7132.3147.2-57-175.4000121.9
394G30.1Very low35.4Very low71 Ų71135.3 Ų135.373%0.73278%0.775SS**  trans132.361.7162.600000115.4
395V31.4Very low35.5Very low121 Ų121135.6 Ų135.673%0.73378%0.776SS**  68.192.585.4-174.90000116
396R30.4Very low35.5Very low223 Ų223140.4 Ų140.484%0.84279%0.789SS**  trans65.8129.5137.9-58.2-179.674.61727.5122.6
397S31.2Very low35.7Very low107 Ų107133 Ų13375%0.74878%0.781SS**  130.6124.6119.9-74.30000116.2
398L35.6Very low35.9Very low161 Ų161139 Ų13984%0.84379%0.789SS**  trans-65.8163.7155-59.8162.1000109.7
399P46.3Very low36Very low118 Ų118141 Ų14177%0.76679%0.788SS**  -140.3164.483.236.5-20.9000115.7
400V34.1Very low35.8Very low133 Ų133140.6 Ų140.681%0.80679%0.785SS**  trans-77.8139.9162.9168.90000109.2
401E30.5Very low36.4Very low188 Ų188141.4 Ų141.488%0.87979%0.788SS**  trans-144.1145.3157.5-139.3168.2140.100110.2
402A34.3Very low35.3Very low81 Ų81141.7 Ų141.767%0.66979%0.792SS**  trans-102.9161.4-17600000111.1
403L31.5Very low34.7Very low151 Ų151143.1 Ų143.179%0.79180%0.801SS**  168.1130.9125.7-87.2165.1000113.3
404Q33.5Very low34.9Very low148 Ų148140.4 Ų140.469%0.69280%0.797SS**  trans49.3133.9144-112.381.741.400124.4
405H31.3Very low35.8Very low158 Ų158142.9 Ų142.973%0.73180%0.8SS**  trans59.9131.6156.9-66-71.4000117.6
406F29.5Very low36.1Very low205 Ų205144 Ų14490%0.89981%0.807SS**  -145.9162.554.7-93.6-94.9000112.9
407A34.8Very low36.3Very low95 Ų95140.5 Ų140.579%0.78581%0.805SS**  trans-116.1138.2170.900000109.4
408E30.9Very low37.3Very low200 Ų200140.7 Ų140.794%0.93580%0.803SS**  trans-149.3114.3170.2-154169.5128.300109.8
409E34.8Very low37.3Very low184 Ų184141.4 Ų141.486%0.8681%0.806SS**  trans-125.7146.5170.4-128.5-162.9111.500107
410P43.2Very low36.7Very low109 Ų109139.8 Ų139.871%0.70880%0.803SS**PPolyproline II helixtrans-84.1157.1-170.533.9-33.2000113.1
411P45Very low36.5Very low127 Ų127140.6 Ų140.683%0.82581%0.808SS**PPolyproline II helixtrans-87.9142-167.433.4-35.7000115.1
412C33.7Very low36.7Very low123 Ų123136 Ų13683%0.83180%0.802SS**PPolyproline II helixtrans-86.6151.4163.5-56.10000111.9
413P43.8Very low36.6Very low129 Ų129136.8 Ų136.884%0.83881%0.809SS**PPolyproline II helixtrans-87.7148.7174.335.1-33.7000112.6
414S37.2Very low36.6Very low117 Ų117133.7 Ų133.782%0.81881%0.805SS**  trans-155.4175.1171.180.70000110
415P48.3Very low36.6Very low122 Ų122134 Ų13479%0.79281%0.811SS**  -111.4170.7-117.134.4-18.7000114.8
416V37.5Very low36.7Very low146 Ų146134.9 Ų134.989%0.88582%0.816SS**  trans-135.6132.1173.5-1720000110.4
417D35.3Very low36.9Very low149 Ų149129.4 Ų129.480%0.79781%0.808SS**  trans-151.1172.8179.6-138.4-13.3000108
418P52.1Low36.9Very low110 Ų110131.3 Ų131.371%0.71481%0.805SS**  -114.3165.8-94.738.3-29.3000114.5
419I35.3Very low36.9Very low177 Ų177131.4 Ų131.491%0.90880%0.803SS**  trans-136.6133.5164.1-63.3-177.9000110.4
420A34.4Very low37Very low84 Ų84130.5 Ų130.569%0.69480%0.799SS**  trans-113.2152.9171.600000111.5
421T30.4Very low36.6Very low149 Ų149131.1 Ų131.191%0.91480%0.8SS**  trans179.2148.9131.6-71.40000110.5
422A33.9Very low36.2Very low92 Ų92132.9 Ų132.976%0.7680%0.802SS**  trans-81.8167.6-168.200000116.6
423A32.4Very low36Very low98 Ų98130.5 Ų130.581%0.8180%0.798SS**  -179.8134.9115.200000116.2
424A32.2Very low35.5Very low86 Ų86131.3 Ų131.371%0.71180%0.795SS**  trans57.9113.1139.100000124.2
425N33.1Very low35.3Very low153 Ų153131 Ų13182%0.81879%0.789SS**  167.7124.4115.8-84.6-13.7000108.7
426E33Very low34.4Very low178 Ų178134.6 Ų134.683%0.83279%0.791SS**  cis97.6144.548.5-87-67.3138.100114.1
427A34.1Very low34.2Very low89 Ų89131.5 Ų131.574%0.73678%0.782SS**  trans68.6109.5-168.500000115.8
428D33.9Very low34.1Very low135 Ų135130.1 Ų130.172%0.72278%0.784SS**  cis78115.930-152.1-26.8000115.3
429F30.3Very low33.3Very low203 Ų203129.7 Ų129.789%0.8979%0.789SS**  trans-167.9114.8130.7-121.1-85.1000111.9
430Q37.6Very low33.3Very low164 Ų164126.5 Ų126.577%0.76678%0.783SS**  trans-99.8169.4154.6-68.5-177.2-500109.9
431V35.9Very low33.4Very low123 Ų123131.5 Ų131.575%0.74579%0.792SS**  trans154.8114.8130.4160.90000115
432L34.8Very low33.7Very low164 Ų164129.1 Ų129.186%0.85978%0.781SS**  trans41.9144.5143.3-72.898.3000126.7
433G31.2Very low33.7Very low73 Ų73129 Ų12975%0.75378%0.78SS**  trans115.7143.9140.600000116.3
434D32.4Very low34.1Very low146 Ų146132.7 Ų132.778%0.78178%0.78SS**  cis-167.1151.7-11.8-153.2-117.5000110.8
435V32.8Very low34.9Very low111 Ų111134.2 Ų134.267%0.67378%0.783SS**  trans65.4132.7146.1141.80000125.5
436K30.5Very low35.3Very low196 Ų196134 Ų13485%0.85279%0.787SS**  trans61.3154.3155.4-78.6175.2178.4177.20120.6
437A32.8Very low35.7Very low82 Ų82131.6 Ų131.668%0.67878%0.78SS**  cis155.3118.5-22.600000107.8
438S33.4Very low36Very low120 Ų120134.4 Ų134.484%0.83978%0.777SS**  trans-179.3128.3154.5-75.50000106.9
439A35.2Very low36.1Very low100 Ų100135.7 Ų135.783%0.82678%0.779SS**  cis90.29128.900000115
440S35.9Very low36.3Very low111 Ų111131.7 Ų131.778%0.77678%0.776SS**  trans179112156.250.10000106
441E36.1Very low36.1Very low189 Ų189127.5 Ų127.588%0.88378%0.777SS**  61.3125.458-143.2177.8101.400110.5
442S35.1Very low36Very low98 Ų98125.9 Ų125.969%0.68579%0.785SS**  cis-140.6153.433.1-54.60000111.7
443A35.9Very low36Very low89 Ų89122 Ų12274%0.73678%0.784SS**  57.1141.786.300000114.7
444E39.4Very low36.5Very low176 Ų176128 Ų12882%0.82279%0.793SS**  cis-159.8152.620.5-154175150.300110.5
445P48.6Very low37.9Very low118 Ų118126.5 Ų126.577%0.76679%0.791SS**  trans-85.2152.3165.734.7-33.2000111.4
446V42.8Very low38.3Very low150 Ų150129.8 Ų129.891%0.90980%0.799SS**  trans-107.4131173-177.20000109.9
447D41.7Very low38.8Very low127 Ų127128.3 Ų128.368%0.67979%0.793SS**  trans-110165.9-172.1-147.7-34.1000112
448H39.5Very low39.3Very low148 Ų148130 Ų13069%0.68580%0.795SS**  trans71.7147.4162.4-69.43.6000117.6
449Q36.3Very low39.9Very low162 Ų162132.7 Ų132.776%0.75779%0.794SS**  cis-162.4150.512.5-132.6170.153.700114
450S34.8Very low40.3Very low119 Ų119137.4 Ų137.483%0.83280%0.796SS**  trans66.2144.1137.3-141.40000124.1
451G33.3Very low41Very low76 Ų76142.4 Ų142.478%0.78481%0.814SS**  trans99.4121.2167.800000113.6
452G34.6Very low41.3Very low88 Ų88140.1 Ų140.191%0.90781%0.811SS**  cis113.199.310.900000110.7
453G33.3Very low41.6Very low82 Ų82142.3 Ų142.385%0.84582%0.817SS**  trans172139.6179.900000113.5
454E41.8Very low41.9Very low200 Ų200145.3 Ų145.394%0.93582%0.822SS**  trans-88175.4-172.9-98.9-179.599.300114.6
455P63.3Low42.1Very low115 Ų115143.5 Ų143.575%0.74782%0.822SS**  trans-97.9152.5-16837.5-35000116
456E40.3Very low41.7Very low179 Ų179145.1 Ų145.184%0.83683%0.825SS**  trans-146.8162.3162.3-85.1-156.784.300108.4
457K40.7Very low41.6Very low165 Ų165144.7 Ų144.772%0.71782%0.82SS**  cis175.2126.1-31.3-135.1-178.8-177.9177.10104.7
458T43.1Very low41.6Very low118 Ų118146 Ų14672%0.72483%0.83SS**  trans37.2111.8142.457.70000122.5
459H46Very low41.8Very low177 Ų177145.8 Ų145.882%0.81984%0.841SS**  trans-169.4142135.9-109.431.4000106.8
460F44Very low42.2Very low198 Ų198144.5 Ų144.587%0.86885%0.848SS**  cis57.569.83.3-108.5-65.8000115.7
461D51.4Low42.9Very low217 Ų217146.8 Ų146.8100%1.1685%0.849SS**  -145.7093.7-150.9-125.1000109.2

Retrieved 461 of 461 residues in 416.2 ms (Link to these results)

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