A0A096M7V5_POEFO Loading...

AB hydrolase-1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M7V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 316 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
1M70.1Confident84.5Confident196 Ų196119.6 Ų119.697%0.96662%0.621SS**  0-61.80-151.516168.700113.3K3 V4 V5M1-K3 PolarHBondContact O-N 3.32Å; M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.15Å; M1-V5 WeakPolarHBondContact O-CG2 3.44Å; M1-V5 PolarHBondContact O-N 3.22Å
2K81.3Confident84.7Confident190 Ų190115.1 Ų115.183%0.82659%0.591SS**Hα-helixtrans-55.7-43.7-177.5-67.5-175.9178.6-178.40115.4V4 V5 S6K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.38Å; K2-V5 PolarHBondContact O-N 3.18Å; K2-S6 WeakPolarHBondContact O-CB 3.42Å; K2-S6 PolarHBondContact O-N 3.12Å
3K84.2Confident84.9Confident189 Ų189112.9 Ų112.982%0.82259%0.586SS**Hα-helixtrans-63.6-37.7177.7-67.9-174177.9-177.30113M1 F7M1-K3 PolarHBondContact O-N 3.32Å; K3-F7 WeakPolarHBondContact O-CB 3.18Å; K3-F7 PolarHBondContact O-N 3.29Å
4V84.9Confident85.3Confident91 Ų91107.9 Ų107.955%0.55257%0.565SS**Hα-helixtrans-69.7-45.51791790000110.3M1 K2 S6 F7 L8M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.15Å; K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.38Å; V4-S6 PolarHBondContact O-N 3.2Å; V4-F7 PolarHBondContact O-N 3.17Å; V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.36Å; V4-L8 PolarHBondContact O-N 3.3Å
5V86.9Confident85.6Confident88 Ų88103.6 Ų103.653%0.53355%0.545SS..Hα-helixtrans-61.4-44.3176.5175.20000111.1M1 K2 F7 L8 L9M1-V5 WeakPolarHBondContact O-CG2 3.44Å; M1-V5 PolarHBondContact O-N 3.22Å; K2-V5 PolarHBondContact O-N 3.18Å; V5-F7 PolarHBondContact O-N 3.37Å; V5-L8 PolarHBondContact O-N 3.03Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 PolarHBondContact O-N 3.05Å
6S86.1Confident86Confident72 Ų7298.3 Ų98.350%0.50352%0.518SS..Hα-helixtrans-60.4-44.3176.3-171.40000112K2 V4 L9 T10K2-S6 WeakPolarHBondContact O-CB 3.42Å; K2-S6 PolarHBondContact O-N 3.12Å; V4-S6 PolarHBondContact O-N 3.2Å; S6-L9 PolarHBondContact O-N 2.99Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 2.95Å
7F88.9Confident86.4Confident146 Ų14697.1 Ų97.164%0.6452%0.516SS*.Hα-helixtrans-62.3-46.3178.2175.8-97.7000112K3 V4 V5 L9 T10 A11K3-F7 WeakPolarHBondContact O-CB 3.18Å; K3-F7 PolarHBondContact O-N 3.29Å; V4-F7 PolarHBondContact O-N 3.17Å; V5-F7 PolarHBondContact O-N 3.37Å; F7-L9 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 3.43Å; F7-T10 PolarHBondContact O-N 3.04Å; F7-A11 WeakPolarHBondContact O-CB 3.38Å; F7-A11 PolarHBondContact O-N 3.49Å
8L87Confident86.8Confident105 Ų10596 Ų9655%0.5551%0.51SS..Hα-helixtrans-62.4-40.3178.2-69.4173.4000111.9V4 V5 A11 Y12V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.36Å; V4-L8 PolarHBondContact O-N 3.3Å; V5-L8 PolarHBondContact O-N 3.03Å; L8-A11 PolarHBondContact O-N 3.16Å; L8-Y12 VanDerWaalsContact O-CB 3.26Å; L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 2.92Å
9L87.4Confident87.1Confident113 Ų11392.4 Ų92.459%0.59249%0.49SS*.Hα-helixtrans-64.8-45176-16595.8000111.4V5 S6 F7 Y12 V13V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 PolarHBondContact O-N 3.05Å; S6-L9 PolarHBondContact O-N 2.99Å; F7-L9 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 3.43Å; L9-Y12 PolarHBondContact O-N 3.46Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.98Å
10T88.5Confident87.5Confident89 Ų8994.2 Ų94.255%0.54649%0.491SS..Hα-helixtrans-60.9-46176.3-59.50000111.1S6 F7 Y12 V13 S14S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 2.95Å; F7-T10 PolarHBondContact O-N 3.04Å; T10-Y12 VanDerWaalsContact C-N 3.34Å; T10-Y12 PolarHBondContact O-N 3.47Å; T10-V13 PolarHBondContact O-N 3.27Å; T10-S14 VanDerWaalsContact O-CB 3.24Å; T10-S14 WeakPolarHBondContact O-CB 3.46Å; T10-S14 PolarHBondContact O-N 2.83Å; T10-S14 PolarHBondContact O-OG 3.05Å
11A83.9Confident87.8Confident37 Ų3794.3 Ų94.331%0.30649%0.492SS..Hα-helixtrans-59.1-46.317600000111.1F7 L8 V13 S14 V15F7-A11 WeakPolarHBondContact O-CB 3.38Å; F7-A11 PolarHBondContact O-N 3.49Å; L8-A11 PolarHBondContact O-N 3.16Å; A11-V13 PolarHBondContact O-N 3.32Å; A11-S14 WeakPolarHBondContact CA-OG 3.41Å; A11-S14 PolarHBondContact O-N 3.48Å; A11-S14 PolarHBondContact O-OG 3.21Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.34Å
12Y87.5Confident89.1Confident65 Ų6589.4 Ų89.426%0.25547%0.465SS..Hα-helixtrans-60.5-44.5178.2-174.9-108000112.7L8 L9 T10 S14 P16 L218 Y219 L222L8-Y12 VanDerWaalsContact O-CB 3.26Å; L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 2.92Å; L9-Y12 PolarHBondContact O-N 3.46Å; T10-Y12 VanDerWaalsContact C-N 3.34Å; T10-Y12 PolarHBondContact O-N 3.47Å; Y12-S14 PolarHBondContact O-N 3.35Å; Y12-P16 VanDerWaalsContact O-CD 3.31Å; Y12-P16 WeakPolarHBondContact O-CD 3.48Å; Y12-L218 PolarHBondContact OH-O 3.4Å; Y12-Y219 AromaticContact CD2-CD1 3.89Å; Y12-Y219 HydrophobicContact CD2-CD1 3.89Å; Y12-Y219 AromaticContact CD2-CE1 3.45Å; Y12-Y219 HydrophobicContact CD2-CE1 3.45Å; Y12-Y219 VanDerWaalsContact CD2-CE1 3.45Å; Y12-Y219 AromaticContact CD2-CZ 3.91Å; Y12-Y219 AromaticContact CE2-CD1 3.66Å; Y12-Y219 HydrophobicContact CE2-CD1 3.66Å; Y12-Y219 AromaticContact CE2-CE1 3.73Å; Y12-Y219 HydrophobicContact CE2-CE1 3.73Å; Y12-Y219 HydrophobicContact CE2-CG 4.19Å; Y12-Y219 HydrophobicContact CG-CE1 4.16Å; Y12-Y219 VanDerWaalsContact O-CE1 3.25Å; Y12-Y219 WeakPolarHBondContact O-CE1 3.4Å; Y12-L222 HydrophobicContact CD1-CD1 4.46Å; Y12-L222 HydrophobicContact CE1-CD1 3.77Å; Y12-L222 HydrophobicContact CE1-CD2 3.64Å; Y12-L222 HydrophobicContact CE1-CG 3.85Å; Y12-L222 WeakPolarHBondContact OH-CG 3.35Å
13V87Confident89.7Confident87 Ų8781.3 Ų81.353%0.52743%0.432SS..Hα-helixtrans-73.7-29.3177.8178.70000112.2L9 T10 A11L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.98Å; T10-V13 PolarHBondContact O-N 3.27Å; A11-V13 PolarHBondContact O-N 3.32Å
14S90.1Very high90.1Very high42 Ų4279.1 Ų79.129%0.29442%0.419SS..Hα-helixtrans-72.1-31.8-176.669.80000114.1T10 A11 Y12 V17 L18T10-S14 VanDerWaalsContact O-CB 3.24Å; T10-S14 WeakPolarHBondContact O-CB 3.46Å; T10-S14 PolarHBondContact O-N 2.83Å; T10-S14 PolarHBondContact O-OG 3.05Å; A11-S14 WeakPolarHBondContact CA-OG 3.41Å; A11-S14 PolarHBondContact O-N 3.48Å; A11-S14 PolarHBondContact O-OG 3.21Å; Y12-S14 PolarHBondContact O-N 3.35Å; S14-V17 PolarHBondContact O-N 2.97Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.1Å
15V90.4Very high90.6Very high44 Ų4477.7 Ų77.727%0.26741%0.408SS..Hα-helixtrans-61.4-49.8-174.3165.40000112.9A11 V17 L18 L19 Y219A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.34Å; V15-V17 VanDerWaalsContact C-N 3.28Å; V15-V17 PolarHBondContact O-N 3.27Å; V15-L18 PolarHBondContact O-N 3.42Å; V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.39Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.6Å; V15-Y219 HydrophobicContact CB-CE1 3.8Å; V15-Y219 HydrophobicContact CG1-CE1 4.02Å; V15-Y219 HydrophobicContact CG1-CE2 4.24Å; V15-Y219 WeakPolarHBondContact CG2-OH 3.28Å
16P91.5Very high91Very high18 Ų1874.2 Ų74.212%0.11739%0.386CS..Hα-helixtrans-56.7-40.4174.4-27.134.9000113.3Y12 L19 Y20 Y219 L222 F225 L228Y12-P16 VanDerWaalsContact O-CD 3.31Å; Y12-P16 WeakPolarHBondContact O-CD 3.48Å; P16-L19 PolarHBondContact O-N 2.94Å; P16-Y20 WeakPolarHBondContact O-CB 3.35Å; P16-Y20 PolarHBondContact O-N 3.22Å; P16-Y219 HydrophobicContact CG-CD1 4.05Å; P16-Y219 HydrophobicContact CG-CE1 4.43Å; P16-L222 HydrophobicContact CG-CD1 4.12Å; P16-F225 HydrophobicContact CB-CD2 4.07Å; P16-F225 HydrophobicContact CB-CE2 4.25Å; P16-F225 HydrophobicContact CG-CD2 3.83Å; P16-F225 HydrophobicContact CG-CE2 3.96Å; P16-L228 HydrophobicContact CB-CD2 3.76Å
17V92.6Very high91.4Very high78 Ų7871.8 Ų71.847%0.47337%0.369SS..Hα-helixtrans-65.5-44.4178.1179.90000110.9S14 V15 Y20 L21S14-V17 PolarHBondContact O-N 2.97Å; V15-V17 VanDerWaalsContact C-N 3.28Å; V15-V17 PolarHBondContact O-N 3.27Å; V17-Y20 WeakPolarHBondContact O-CB 3.43Å; V17-Y20 PolarHBondContact O-N 2.62Å; V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 HydrophobicContact CG1-CG 4.32Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 2.93Å
18L93.6Very high91.6Very high78 Ų7868.8 Ų68.841%0.40835%0.354SS..Hα-helixtrans-62.9-43.6177.1-72.2172.5000111.6S14 V15 Y20 L21 F22S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.1Å; V15-L18 PolarHBondContact O-N 3.42Å; L18-Y20 VanDerWaalsContact C-N 3.31Å; L18-Y20 PolarHBondContact O-N 2.78Å; L18-L21 PolarHBondContact O-N 3.37Å; L18-F22 HydrophobicContact CD2-CD2 4.19Å; L18-F22 HydrophobicContact CD2-CE2 4.19Å; L18-F22 WeakPolarHBondContact O-CA 3.34Å; L18-F22 WeakPolarHBondContact O-CB 3.42Å; L18-F22 PolarHBondContact O-N 3.02Å
19L93.3Very high91.9Very high27 Ų2766.5 Ų66.514%0.14135%0.351CS..Hα-helixtrans-64.7-35.9176.1-70.1176.8000112V15 P16 F22 P23 I25 L26 I232V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.39Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.6Å; P16-L19 PolarHBondContact O-N 2.94Å; L19-F22 CarbonylContact O-C 3.56Å; L19-P23 VanDerWaalsContact O-CA 3.29Å; L19-P23 WeakPolarHBondContact O-CA 3.3Å; L19-I25 HydrophobicContact CD2-CB 4.14Å; L19-I25 HydrophobicContact CD2-CG2 3.93Å; L19-L26 HydrophobicContact CD2-CB 4.48Å; L19-I232 HydrophobicContact CB-CD1 3.76Å
20Y93.9Very high92.3Very high129 Ų12961.7 Ų61.751%0.50633%0.325SS..Hα-helixtrans-66.2-45.1174.7178-100.4000112.6P16 V17 L18 L228 R235P16-Y20 WeakPolarHBondContact O-CB 3.35Å; P16-Y20 PolarHBondContact O-N 3.22Å; V17-Y20 WeakPolarHBondContact O-CB 3.43Å; V17-Y20 PolarHBondContact O-N 2.62Å; L18-Y20 VanDerWaalsContact C-N 3.31Å; L18-Y20 PolarHBondContact O-N 2.78Å; Y20-L228 HydrophobicContact CD2-CD1 3.63Å; Y20-L228 HydrophobicContact CG-CD1 4.25Å; Y20-R235 PolarHBondContact O-NH1 3.3Å; Y20-R235 PolarHBondContact O-NH2 2.78Å; Y20-R235 VanDerWaalsContact O-NH2 3.15Å
21L95.5Very high92.7Very high97 Ų9757.4 Ų57.451%0.50830%0.299SS..Hα-helixtrans-73.5-36.4-179.2-67.3175.9000112.2V17 L18 P23V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 HydrophobicContact CG1-CG 4.32Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 2.93Å; L18-L21 PolarHBondContact O-N 3.37Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å
22F96.4Very high93.2Very high92 Ų9257.1 Ų57.140%0.40430%0.295SS..  trans-127.269.8-173.8-54.6-68.1000110.5L18 L19 W24 I25L18-F22 HydrophobicContact CD2-CD2 4.19Å; L18-F22 HydrophobicContact CD2-CE2 4.19Å; L18-F22 WeakPolarHBondContact O-CA 3.34Å; L18-F22 WeakPolarHBondContact O-CB 3.42Å; L18-F22 PolarHBondContact O-N 3.02Å; L19-F22 CarbonylContact O-C 3.56Å; F22-W24 HydrophobicContact CB-CZ2 4.2Å; F22-W24 HydrophobicContact CD1-CZ2 4.48Å; F22-W24 AromaticContact CD1-NE1 3.74Å; F22-W24 PolarHBondContact O-N 3.36Å; F22-W24 VanDerWaalsContact O-N 3.13Å; F22-I25 HydrophobicContact CB-CD1 3.66Å; F22-I25 HydrophobicContact CB-CG1 4Å; F22-I25 WeakPolarHBondContact O-CB 3.35Å; F22-I25 WeakPolarHBondContact O-CG1 3.29Å; F22-I25 PolarHBondContact O-N 3.44Å
23P93.9Very high93.4Very high21 Ų2154.3 Ų54.314%0.13628%0.284CS..THydrogen-bonded Turntrans-65.6-20.4-173.529.9-39000113.2L19 L21 I25 L26 I232 I236L19-P23 VanDerWaalsContact O-CA 3.29Å; L19-P23 WeakPolarHBondContact O-CA 3.3Å; L21-P23 WeakPolarHBondContact O-CD 3.21Å; P23-I25 PolarHBondContact O-N 3.17Å; P23-L26 WeakPolarHBondContact O-CB 3.48Å; P23-L26 PolarHBondContact O-N 3.34Å; P23-L26 VanDerWaalsContact O-N 3.1Å; P23-I232 HydrophobicContact CB-CG2 3.75Å; P23-I236 HydrophobicContact CB-CG2 3.66Å; P23-I236 HydrophobicContact CG-CG2 4.24Å
24W93.7Very high93.5Very high143 Ų14355.6 Ų55.654%0.54229%0.287SS..Hα-helixtrans-59.2-26.9173.358.6-100.3000112.7F22 L26 S27 Y28F22-W24 HydrophobicContact CB-CZ2 4.2Å; F22-W24 HydrophobicContact CD1-CZ2 4.48Å; F22-W24 AromaticContact CD1-NE1 3.74Å; F22-W24 PolarHBondContact O-N 3.36Å; F22-W24 VanDerWaalsContact O-N 3.13Å; W24-L26 PolarHBondContact O-N 3Å; W24-S27 WeakPolarHBondContact O-CA 3.26Å; W24-S27 VanDerWaalsContact O-CB 3.31Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.69Å; W24-Y28 AromaticContact CE3-CD2 3.66Å; W24-Y28 HydrophobicContact CE3-CD2 3.66Å; W24-Y28 AromaticContact CE3-CE2 3.89Å; W24-Y28 HydrophobicContact CE3-CE2 3.89Å; W24-Y28 HydrophobicContact CZ3-CD2 4.3Å; W24-Y28 WeakPolarHBondContact O-CD2 3.37Å; W24-Y28 PolarHBondContact O-N 3.48Å
25I94.5Very high93.5Very high61 Ų6157.5 Ų57.531%0.31329%0.294SS..Hα-helixtrans-55.6-40.5175.7-65.5173.7000110.5L19 F22 P23 Y28 A29L19-I25 HydrophobicContact CD2-CB 4.14Å; L19-I25 HydrophobicContact CD2-CG2 3.93Å; F22-I25 HydrophobicContact CB-CD1 3.66Å; F22-I25 HydrophobicContact CB-CG1 4Å; F22-I25 WeakPolarHBondContact O-CB 3.35Å; F22-I25 WeakPolarHBondContact O-CG1 3.29Å; F22-I25 PolarHBondContact O-N 3.44Å; P23-I25 PolarHBondContact O-N 3.17Å; I25-Y28 PolarHBondContact O-N 3.29Å; I25-A29 PolarHBondContact O-N 3.43Å
26L94.3Very high93.3Very high14 Ų1462.1 Ų62.17%0.07331%0.306CS..Hα-helixtrans-67.9-39.2177.8-175.960.2000111.8L19 P23 W24 A29 I30 V210 L229 I232 L233 I236L19-L26 HydrophobicContact CD2-CB 4.48Å; P23-L26 WeakPolarHBondContact O-CB 3.48Å; P23-L26 PolarHBondContact O-N 3.34Å; P23-L26 VanDerWaalsContact O-N 3.1Å; W24-L26 PolarHBondContact O-N 3Å; L26-A29 PolarHBondContact O-N 3.49Å; L26-I30 HydrophobicContact CD1-CD1 4.3Å; L26-I30 HydrophobicContact CD1-CG1 4.36Å; L26-I30 HydrophobicContact CG-CD1 3.93Å; L26-I30 HydrophobicContact CG-CG1 4.43Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 2.92Å; L26-V210 HydrophobicContact CD1-CG1 4.03Å; L26-V210 HydrophobicContact CD1-CG2 4.48Å; L26-L229 HydrophobicContact CD2-CD1 3.72Å; L26-I232 HydrophobicContact CB-CG2 4.22Å; L26-I232 HydrophobicContact CD2-CB 4.43Å; L26-I232 HydrophobicContact CD2-CG2 3.68Å; L26-L233 HydrophobicContact CD2-CD2 3.77Å; L26-L233 HydrophobicContact CD2-CG 4.03Å; L26-I236 HydrophobicContact CB-CD1 4.29Å; L26-I236 HydrophobicContact CD2-CD1 4.29Å; L26-I236 HydrophobicContact CG-CD1 4.32Å
27S94.6Very high93.2Very high22 Ų2266 Ų6615%0.15432%0.322CS..Hα-helixtrans-58.1-48.6174.1-177.40000111.4W24 A29 I30 F31W24-S27 WeakPolarHBondContact O-CA 3.26Å; W24-S27 VanDerWaalsContact O-CB 3.31Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.69Å; S27-A29 VanDerWaalsContact C-N 3.3Å; S27-A29 PolarHBondContact O-N 2.84Å; S27-I30 PolarHBondContact O-N 3.46Å; S27-F31 WeakPolarHBondContact O-CD2 3.32Å; S27-F31 PolarHBondContact O-N 2.67Å; S27-F31 WeakPolarHBondContact OG-CD2 3.46Å; S27-F31 VanDerWaalsContact OG-CE2 3.27Å; S27-F31 WeakPolarHBondContact OG-CE2 3.1Å
28Y94.3Very high93.2Very high82 Ų8263.7 Ų63.732%0.32231%0.308SS..Hα-helixtrans-61.2-36.9176.1-85.7-90.4000112.7W24 I25 S32 H33 L34W24-Y28 AromaticContact CE3-CD2 3.66Å; W24-Y28 HydrophobicContact CE3-CD2 3.66Å; W24-Y28 AromaticContact CE3-CE2 3.89Å; W24-Y28 HydrophobicContact CE3-CE2 3.89Å; W24-Y28 HydrophobicContact CZ3-CD2 4.3Å; W24-Y28 WeakPolarHBondContact O-CD2 3.37Å; W24-Y28 PolarHBondContact O-N 3.48Å; I25-Y28 PolarHBondContact O-N 3.29Å; Y28-S32 VanDerWaalsContact O-CA 3.26Å; Y28-S32 WeakPolarHBondContact O-CA 3.32Å; Y28-S32 PolarHBondContact O-N 3.1Å; Y28-H33 AromaticContact CD1-CE1 3.49Å; Y28-H33 VanDerWaalsContact CD1-CE1 3.49Å; Y28-H33 WeakPolarHBondContact CD1-CE1 3.21Å; Y28-H33 AromaticContact CE1-CE1 3.36Å; Y28-H33 WeakPolarHBondContact CE1-CE1 3.37Å; Y28-H33 AromaticContact CE1-NE2 3.92Å; Y28-L34 HydrophobicContact CD1-CD1 3.65Å; Y28-L34 HydrophobicContact CD1-CG 3.88Å; Y28-L34 HydrophobicContact CE1-CD1 3.49Å; Y28-L34 VanDerWaalsContact CE1-CD1 3.49Å; Y28-L34 HydrophobicContact CE1-CD2 4.01Å; Y28-L34 HydrophobicContact CE1-CG 3.68Å
29A93.8Very high92.9Very high58 Ų5866.4 Ų66.448%0.47931%0.314SS..Hα-helixtrans-67.5-43.6175.400000112.1I25 L26 S27 S32I25-A29 PolarHBondContact O-N 3.43Å; L26-A29 PolarHBondContact O-N 3.49Å; S27-A29 VanDerWaalsContact C-N 3.3Å; S27-A29 PolarHBondContact O-N 2.84Å; A29-S32 PolarHBondContact O-OG 3.14Å
30I95.4Very high92.6Very high11 Ų1176.8 Ų76.86%0.05635%0.351CS..Hα-helixtrans-61.6-51.8179.1-72.1168.5000110.5L26 S27 N105 L175 I206 V210 L233 I238L26-I30 HydrophobicContact CD1-CD1 4.3Å; L26-I30 HydrophobicContact CD1-CG1 4.36Å; L26-I30 HydrophobicContact CG-CD1 3.93Å; L26-I30 HydrophobicContact CG-CG1 4.43Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 2.92Å; S27-I30 PolarHBondContact O-N 3.46Å; I30-N105 VanDerWaalsContact O-CB 3.24Å; I30-N105 WeakPolarHBondContact O-CB 3.5Å; I30-N105 PolarHBondContact O-ND2 3.29Å; I30-L175 HydrophobicContact CG2-CD1 4.48Å; I30-I206 HydrophobicContact CD1-CG1 4.33Å; I30-I206 HydrophobicContact CG1-CG1 4.37Å; I30-I206 HydrophobicContact CG2-CD1 4.26Å; I30-I206 HydrophobicContact CG2-CG1 3.9Å; I30-V210 HydrophobicContact CD1-CG2 4.3Å; I30-V210 HydrophobicContact CG1-CG2 4.1Å; I30-L233 HydrophobicContact CD1-CD2 3.8Å; I30-I238 HydrophobicContact CD1-CG2 3.97Å
31F96.8Very high92.6Very high0 Ų072.5 Ų72.50%034%0.339CS..Hα-helixtrans-77.9-38.7-176.5-63.5-55.2000112.8S27 H33 L106 F136 P143 L148 L175 I238 F240S27-F31 WeakPolarHBondContact O-CD2 3.32Å; S27-F31 PolarHBondContact O-N 2.67Å; S27-F31 WeakPolarHBondContact OG-CD2 3.46Å; S27-F31 VanDerWaalsContact OG-CE2 3.27Å; S27-F31 WeakPolarHBondContact OG-CE2 3.1Å; F31-H33 HydrophobicContact CB-CB 4.27Å; F31-H33 PolarHBondContact O-N 3.33Å; F31-H33 VanDerWaalsContact O-N 3.09Å; F31-L106 PolarHBondContact O-N 2.98Å; F31-L106 VanDerWaalsContact O-N 3.14Å; F31-F136 HydrophobicContact CB-CE2 4.28Å; F31-F136 HydrophobicContact CB-CZ 3.94Å; F31-F136 HydrophobicContact CD1-CE2 4.42Å; F31-F136 HydrophobicContact CD1-CZ 4.36Å; F31-F136 WeakPolarHBondContact O-CE1 3.19Å; F31-F136 VanDerWaalsContact O-CZ 3.3Å; F31-F136 WeakPolarHBondContact O-CZ 3.44Å; F31-P143 HydrophobicContact CB-CB 4.29Å; F31-P143 HydrophobicContact CB-CG 3.95Å; F31-P143 HydrophobicContact CD1-CB 4.05Å; F31-P143 HydrophobicContact CD2-CB 3.78Å; F31-P143 HydrophobicContact CD2-CG 3.59Å; F31-P143 HydrophobicContact CE1-CB 4.35Å; F31-P143 HydrophobicContact CE2-CB 4.07Å; F31-P143 HydrophobicContact CE2-CG 4.23Å; F31-P143 HydrophobicContact CG-CB 3.78Å; F31-P143 HydrophobicContact CG-CG 3.78Å; F31-P143 HydrophobicContact CZ-CB 4.36Å; F31-L148 HydrophobicContact CD1-CD2 4.17Å; F31-L148 HydrophobicContact CE1-CD2 3.84Å; F31-L175 HydrophobicContact CD1-CD2 3.9Å; F31-L175 HydrophobicContact CE1-CD2 4.39Å; F31-I238 HydrophobicContact CE2-CD1 3.56Å; F31-I238 HydrophobicContact CZ-CD1 3.72Å; F31-I238 HydrophobicContact CZ-CG1 4.34Å; F31-F240 AromaticContact CE1-CE2 3.89Å; F31-F240 HydrophobicContact CE1-CE2 3.89Å; F31-F240 AromaticContact CE1-CZ 3.96Å; F31-F240 HydrophobicContact CE1-CZ 3.96Å; F31-F240 HydrophobicContact CZ-CE2 4.25Å; F31-F240 HydrophobicContact CZ-CZ 4.43Å
32S94.5Very high92.6Very high31 Ų3170.5 Ų70.522%0.21733%0.328CS..  trans49.931.2-174.4-66.90000112.9Y28 A29 L34 L35Y28-S32 VanDerWaalsContact O-CA 3.26Å; Y28-S32 WeakPolarHBondContact O-CA 3.32Å; Y28-S32 PolarHBondContact O-N 3.1Å; A29-S32 PolarHBondContact O-OG 3.14Å; S32-L34 PolarHBondContact O-N 2.96Å; S32-L35 PolarHBondContact O-N 2.92Å
33H90.6Very high92.6Very high5 Ų566.7 Ų66.72%0.02331%0.312CS..THydrogen-bonded Turntrans-72.5-25.9-168.865.7-67.7000113.8Y28 F31 L35 G135 F136 E142 P143Y28-H33 AromaticContact CD1-CE1 3.49Å; Y28-H33 VanDerWaalsContact CD1-CE1 3.49Å; Y28-H33 WeakPolarHBondContact CD1-CE1 3.21Å; Y28-H33 AromaticContact CE1-CE1 3.36Å; Y28-H33 WeakPolarHBondContact CE1-CE1 3.37Å; Y28-H33 AromaticContact CE1-NE2 3.92Å; F31-H33 HydrophobicContact CB-CB 4.27Å; F31-H33 PolarHBondContact O-N 3.33Å; F31-H33 VanDerWaalsContact O-N 3.09Å; H33-L35 PolarHBondContact O-N 3.46Å; H33-G135 PolarHBondContact CD2-O 3.14Å; H33-F136 HydrophobicContact CB-CD1 4.17Å; H33-F136 HydrophobicContact CB-CD2 3.9Å; H33-F136 HydrophobicContact CB-CE1 4.04Å; H33-F136 HydrophobicContact CB-CE2 3.78Å; H33-F136 HydrophobicContact CB-CG 4.12Å; H33-F136 HydrophobicContact CB-CZ 3.86Å; H33-E142 IonicContact CD2-OE2 3.29Å; H33-E142 IonicContact CE1-OE2 3.67Å; H33-E142 IonicContact NE2-OE2 2.77Å; H33-E142 PolarHBondContact NE2-OE2 2.95Å; H33-P143 HydrophobicContact CB-CG 4.17Å; H33-P143 VanDerWaalsContact CD2-CD 3.46Å; H33-P143 WeakPolarHBondContact CD2-CD 3.39Å; H33-P143 VanDerWaalsContact NE2-CD 3.33Å; H33-P143 WeakPolarHBondContact NE2-CD 3.48Å
34L89.7Confident92.7Very high115 Ų11573.2 Ų73.260%0.60233%0.334SS*.THydrogen-bonded Turntrans-62.3-23.1177.4-65.3-174.6000113.3Y28 S32 R36Y28-L34 HydrophobicContact CD1-CD1 3.65Å; Y28-L34 HydrophobicContact CD1-CG 3.88Å; Y28-L34 HydrophobicContact CE1-CD1 3.49Å; Y28-L34 VanDerWaalsContact CE1-CD1 3.49Å; Y28-L34 HydrophobicContact CE1-CD2 4.01Å; Y28-L34 HydrophobicContact CE1-CG 3.68Å; S32-L34 PolarHBondContact O-N 2.96Å; L34-R36 PolarHBondContact O-N 3.34Å
35L89.1Confident92.7Very high82 Ų8272.1 Ų72.143%0.42933%0.33SS..  trans-89.190.8-179.1-65.6174.1000109.4S32 H33 F37 L106 G107S32-L35 PolarHBondContact O-N 2.92Å; H33-L35 PolarHBondContact O-N 3.46Å; L35-F37 PolarHBondContact O-N 3.22Å; L35-L106 HydrophobicContact CB-CD1 3.4Å; L35-L106 VanDerWaalsContact CB-CD1 3.4Å; L35-L106 HydrophobicContact CD1-CD1 3.47Å; L35-L106 VanDerWaalsContact CD1-CD1 3.47Å; L35-L106 HydrophobicContact CG-CD1 4.07Å; L35-G107 WeakPolarHBondContact O-CA 3.34Å; L35-G107 PolarHBondContact O-N 2.9Å
36R87.5Confident92.7Very high141 Ų14169.3 Ų69.353%0.53232%0.315SS..  trans-77.654.6178.8-60.7-179.7-179.1-176.6-4.7113L34 P38 Y39 T108 G137L34-R36 PolarHBondContact O-N 3.34Å; R36-P38 CarbonylContact O-C 3.46Å; R36-P38 VanDerWaalsContact O-C 3.25Å; R36-Y39 WeakPolarHBondContact O-CA 3.49Å; R36-Y39 PolarHBondContact O-N 3.27Å; R36-T108 HydrophobicContact CB-CG2 4.3Å; R36-G137 WeakPolarHBondContact CD-O 3.29Å; R36-G137 PolarHBondContact NE-O 3.31Å; R36-G137 VanDerWaalsContact NE-O 3.1Å
37F89.8Confident92.5Very high99 Ų9973.3 Ų73.343%0.43433%0.334SS..SBendtrans-79.4138176.4-179.6-96.9000111.5L35 Y39 G107 T108 I111L35-F37 PolarHBondContact O-N 3.22Å; F37-Y39 HydrophobicContact CB-CE2 4.5Å; F37-Y39 HydrophobicContact CD2-CD2 4.12Å; F37-Y39 AromaticContact CD2-CE2 3.96Å; F37-Y39 HydrophobicContact CD2-CE2 3.96Å; F37-G107 CarbonylContact O-C 3.54Å; F37-G107 WeakPolarHBondContact O-CA 3.44Å; F37-T108 PolarHBondContact O-N 3.24Å; F37-T108 PolarHBondContact O-OG1 3.14Å; F37-I111 HydrophobicContact CD1-CD1 4.36Å; F37-I111 HydrophobicContact CD1-CG1 4.04Å; F37-I111 WeakPolarHBondContact O-CG1 3.24Å
38P91.7Very high92.4Very high29 Ų2976.3 Ų76.319%0.18835%0.348CS..SBendcis-71.4134.9-6.629.7-36.2000113.5R36 W40 V41 A110R36-P38 CarbonylContact O-C 3.46Å; R36-P38 VanDerWaalsContact O-C 3.25Å; P38-W40 VanDerWaalsContact C-N 3.32Å; P38-W40 PolarHBondContact O-N 3.49Å; P38-V41 HydrophobicContact CB-CG2 4.01Å; P38-V41 HydrophobicContact CG-CB 4.12Å; P38-V41 HydrophobicContact CG-CG2 3.52Å; P38-A110 HydrophobicContact CG-CB 3.96Å
39Y87.3Confident92.3Very high135 Ų13574.5 Ų74.553%0.52935%0.346SS..THydrogen-bonded Turntrans-69.5-20.6-169-61.1-73.3000115.9R36 F37R36-Y39 WeakPolarHBondContact O-CA 3.49Å; R36-Y39 PolarHBondContact O-N 3.27Å; F37-Y39 HydrophobicContact CB-CE2 4.5Å; F37-Y39 HydrophobicContact CD2-CD2 4.12Å; F37-Y39 AromaticContact CD2-CE2 3.96Å; F37-Y39 HydrophobicContact CD2-CE2 3.96Å
40W87.7Confident92.3Very high245 Ų24572 Ų7293%0.92832%0.324SS*.THydrogen-bonded Turntrans-110.114.6-169.8-48.7110.3000113.4P38P38-W40 VanDerWaalsContact C-N 3.32Å; P38-W40 PolarHBondContact O-N 3.49Å
41V92.8Very high92Very high40 Ų4076.4 Ų76.424%0.24235%0.348CS..  trans-99.8124.6178.7178.20000109.2P38 L43 V49 A110P38-V41 HydrophobicContact CB-CG2 4.01Å; P38-V41 HydrophobicContact CG-CB 4.12Å; P38-V41 HydrophobicContact CG-CG2 3.52Å; V41-L43 HydrophobicContact CG1-CD2 4.32Å; V41-L43 PolarHBondContact O-N 3.05Å; V41-V49 HydrophobicContact CG1-CG1 3.84Å; V41-V49 HydrophobicContact CG1-CG2 4.32Å; V41-V49 HydrophobicContact CG2-CG1 3.94Å; V41-A110 HydrophobicContact CB-CB 4.23Å; V41-A110 HydrophobicContact CG1-CB 3.76Å; V41-A110 HydrophobicContact CG2-CB 4.49Å
42D95.2Very high91.5Very high54 Ų5478.9 Ų78.929%0.28936%0.359SS..  trans-80.3105.2170-171-11.9000109.4R44 R45D42-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact O-N 3.1Å; D42-R44 VanDerWaalsContact OD1-CB 3.32Å; D42-R44 WeakPolarHBondContact OD1-CB 3.39Å; D42-R44 IonicContact OD1-CZ 3.58Å; D42-R44 PolarHBondContact OD1-N 2.82Å; D42-R44 IonicContact OD1-NE 3.42Å; D42-R44 PolarHBondContact OD1-NE 3.4Å; D42-R44 IonicContact OD1-NH2 3.66Å; D42-R44 PolarHBondContact OD1-NH2 2.88Å; D42-R44 IonicContact OD2-CZ 3.56Å; D42-R44 IonicContact OD2-NE 3.94Å; D42-R44 IonicContact OD2-NH2 2.83Å; D42-R44 PolarHBondContact OD2-NH2 3.03Å; D42-R45 HydrophobicContact CB-CB 4.41Å; D42-R45 CarbonylContact O-C 3.5Å; D42-R45 PolarHBondContact O-N 3.16Å
43L96.6Very high91.6Very high12 Ų1277.9 Ų77.96%0.06335%0.352CS..THydrogen-bonded Turntrans-64.9-14.6-177.9-62.8176.3000113.6V41 R45 N55 W69 T108 R109 A110 D132 D138V41-L43 HydrophobicContact CG1-CD2 4.32Å; V41-L43 PolarHBondContact O-N 3.05Å; L43-R45 PolarHBondContact O-N 2.97Å; L43-N55 PolarHBondContact O-OD1 3.42Å; L43-W69 HydrophobicContact CB-CZ2 4.39Å; L43-W69 HydrophobicContact CD2-CH2 4.05Å; L43-W69 HydrophobicContact CD2-CZ2 3.7Å; L43-W69 PolarHBondContact O-NE1 3.27Å; L43-T108 HydrophobicContact CD1-CG2 4.04Å; L43-R109 HydrophobicContact CD2-CG 4.15Å; L43-A110 HydrophobicContact CD2-CB 3.64Å; L43-D132 WeakPolarHBondContact CD1-OD2 3.43Å; L43-D138 HydrophobicContact CB-CB 4.38Å; L43-D138 WeakPolarHBondContact CB-OD2 3.37Å; L43-D138 HydrophobicContact CD1-CB 4.04Å
44R96.2Very high91.8Very high159 Ų15978.5 Ų78.560%0.636%0.357SS*.THydrogen-bonded Turntrans-76.2-14.7172.6-63165.1-59.7176.48.4112.7D42 P46 Y57D42-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact O-N 3.1Å; D42-R44 VanDerWaalsContact OD1-CB 3.32Å; D42-R44 WeakPolarHBondContact OD1-CB 3.39Å; D42-R44 IonicContact OD1-CZ 3.58Å; D42-R44 PolarHBondContact OD1-N 2.82Å; D42-R44 IonicContact OD1-NE 3.42Å; D42-R44 PolarHBondContact OD1-NE 3.4Å; D42-R44 IonicContact OD1-NH2 3.66Å; D42-R44 PolarHBondContact OD1-NH2 2.88Å; D42-R44 IonicContact OD2-CZ 3.56Å; D42-R44 IonicContact OD2-NE 3.94Å; D42-R44 IonicContact OD2-NH2 2.83Å; D42-R44 PolarHBondContact OD2-NH2 3.03Å; R44-P46 VanDerWaalsContact O-CD 3.32Å; R44-P46 WeakPolarHBondContact O-CD 3.28Å; R44-Y57 WeakPolarHBondContact CG-OH 3.47Å
45R94.7Very high92.2Very high120 Ų12074.5 Ų74.545%0.45334%0.336SS..  trans-120.965.3-177.2-67.7-176.653.1-176.2-10.4111D42 L43 Q47 D48D42-R45 HydrophobicContact CB-CB 4.41Å; D42-R45 CarbonylContact O-C 3.5Å; D42-R45 PolarHBondContact O-N 3.16Å; L43-R45 PolarHBondContact O-N 2.97Å; R45-Q47 VanDerWaalsContact CA-OE1 3.22Å; R45-Q47 PolarHBondContact O-N 2.85Å; R45-D48 WeakPolarHBondContact CB-OD2 3.3Å; R45-D48 IonicContact CZ-OD1 3.16Å; R45-D48 IonicContact CZ-OD2 3.2Å; R45-D48 IonicContact NE-OD1 2.92Å; R45-D48 IonicContact NE-OD2 3.77Å; R45-D48 PolarHBondContact NE-OD2 3.05Å; R45-D48 IonicContact NH2-OD1 3.26Å; R45-D48 PolarHBondContact NH2-OD1 3.17Å; R45-D48 IonicContact NH2-OD2 2.78Å; R45-D48 PolarHBondContact NH2-OD2 2.91Å; R45-D48 WeakPolarHBondContact O-CB 3.33Å; R45-D48 PolarHBondContact O-N 2.78Å
46P94.3Very high92.6Very high1 Ų171.1 Ų71.11%0.00632%0.318CS..G310 helixtrans-54.1-30.3-177.922.7-35.3000113.6R44 D48 V49 L50 T53 N55 W69R44-P46 VanDerWaalsContact O-CD 3.32Å; R44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-D48 PolarHBondContact O-N 3.31Å; P46-V49 WeakPolarHBondContact O-CG2 3.48Å; P46-V49 PolarHBondContact O-N 3.5Å; P46-L50 CarbonylContact C-O 3.35Å; P46-L50 CarbonylContact O-C 3.57Å; P46-L50 PolarHBondContact O-N 2.91Å; P46-T53 HydrophobicContact CB-CG2 3.49Å; P46-T53 VanDerWaalsContact CB-CG2 3.49Å; P46-T53 HydrophobicContact CG-CG2 3.87Å; P46-T53 WeakPolarHBondContact CG-O 3.49Å; P46-N55 HydrophobicContact CG-CB 4.14Å; P46-W69 HydrophobicContact CB-CD2 3.86Å; P46-W69 HydrophobicContact CB-CE3 4.37Å; P46-W69 HydrophobicContact CB-CG 4.22Å; P46-W69 HydrophobicContact CB-CH2 4.38Å; P46-W69 HydrophobicContact CB-CZ2 3.86Å
47Q90.6Very high93.1Very high98 Ų9868.7 Ų68.746%0.45831%0.309SS..G310 helixtrans-55.8-19.7177.767.9-85.521.100114.5R45 V49 L50R45-Q47 VanDerWaalsContact CA-OE1 3.22Å; R45-Q47 PolarHBondContact O-N 2.85Å; Q47-V49 PolarHBondContact O-N 3.2Å; Q47-L50 WeakPolarHBondContact CA-O 3.48Å
48D91.1Very high93.5Very high85 Ų8564.7 Ų64.746%0.45529%0.292SS..G310 helixtrans-73.2-18177.5-61.9-18.2000112.1R45 P46R45-D48 WeakPolarHBondContact CB-OD2 3.3Å; R45-D48 IonicContact CZ-OD1 3.16Å; R45-D48 IonicContact CZ-OD2 3.2Å; R45-D48 IonicContact NE-OD1 2.92Å; R45-D48 IonicContact NE-OD2 3.77Å; R45-D48 PolarHBondContact NE-OD2 3.05Å; R45-D48 IonicContact NH2-OD1 3.26Å; R45-D48 PolarHBondContact NH2-OD1 3.17Å; R45-D48 IonicContact NH2-OD2 2.78Å; R45-D48 PolarHBondContact NH2-OD2 2.91Å; R45-D48 WeakPolarHBondContact O-CB 3.33Å; R45-D48 PolarHBondContact O-N 2.78Å; P46-D48 PolarHBondContact O-N 3.31Å
49V93.8Very high93.8Very high45 Ų4566.9 Ų66.927%0.27331%0.308SS..THydrogen-bonded Turntrans-131.8-24.3-179.6-61.30000114.4V41 P46 Q47 W69 A110V41-V49 HydrophobicContact CG1-CG1 3.84Å; V41-V49 HydrophobicContact CG1-CG2 4.32Å; V41-V49 HydrophobicContact CG2-CG1 3.94Å; P46-V49 WeakPolarHBondContact O-CG2 3.48Å; P46-V49 PolarHBondContact O-N 3.5Å; Q47-V49 PolarHBondContact O-N 3.2Å; V49-W69 HydrophobicContact CG2-CH2 3.52Å; V49-W69 HydrophobicContact CG2-CZ2 4.49Å; V49-W69 HydrophobicContact CG2-CZ3 3.99Å; V49-A110 HydrophobicContact CG2-CB 4.4Å
50L93.3Very high94.3Very high5 Ų561.2 Ų61.23%0.02629%0.288CS..SBendtrans-145.2112.3-175.5-176.366.4000110P46 Q47 T53 W69 T71 V115 V118 K119P46-L50 CarbonylContact C-O 3.35Å; P46-L50 CarbonylContact O-C 3.57Å; P46-L50 PolarHBondContact O-N 2.91Å; Q47-L50 WeakPolarHBondContact CA-O 3.48Å; L50-T53 HydrophobicContact CD2-CG2 4.27Å; L50-T53 VanDerWaalsContact CD2-OG1 3.3Å; L50-T53 WeakPolarHBondContact CD2-OG1 3.48Å; L50-T53 VanDerWaalsContact CG-OG1 3.27Å; L50-T53 WeakPolarHBondContact CG-OG1 3.43Å; L50-W69 HydrophobicContact CD2-CE3 4.34Å; L50-T71 HydrophobicContact CD2-CG2 4.2Å; L50-T71 VanDerWaalsContact CD2-OG1 3.26Å; L50-T71 WeakPolarHBondContact CD2-OG1 3.26Å; L50-T71 HydrophobicContact CG-CG2 4.4Å; L50-V115 HydrophobicContact CB-CG1 4.18Å; L50-V115 HydrophobicContact CD1-CG1 3.96Å; L50-V118 HydrophobicContact CD1-CG1 4.43Å; L50-V118 HydrophobicContact CD2-CB 4.23Å; L50-V118 HydrophobicContact CD2-CG1 3.63Å; L50-K119 HydrophobicContact CD1-CD 4.3Å; L50-K119 HydrophobicContact CD1-CG 3.52Å
51N88.7Confident94.7Very high103 Ų10354.4 Ų54.455%0.55127%0.266SS*.THydrogen-bonded Turntrans-69.5156.3178.6-66.8-24.7000111.5T53N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 PolarHBondContact O-OG1 3.39Å
52H87.4Confident94.8Very high53 Ų5361.7 Ų61.725%0.24530%0.298CS..THydrogen-bonded Turntrans63.731.5173.4-36.5-46.4000113.4L72 W77H52-L72 PolarHBondContact O-N 3.17Å; H52-W77 HydrophobicContact CB-CB 4.34Å; H52-W77 WeakPolarHBondContact CE1-CB 3.4Å; H52-W77 AromaticContact CE1-CD2 3.84Å; H52-W77 AromaticContact CE1-CE3 3.57Å; H52-W77 AromaticContact CE1-CG 3.84Å; H52-W77 VanDerWaalsContact CG-CB 3.49Å; H52-W77 WeakPolarHBondContact ND1-CB 3.49Å; H52-W77 AromaticContact NE2-CG 3.98Å
53T94.9Very high94.8Very high9 Ų962.7 Ų62.76%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-123.1132.6-177.3-56.40000109.1P46 L50 N51 W69 H70 T71P46-T53 HydrophobicContact CB-CG2 3.49Å; P46-T53 VanDerWaalsContact CB-CG2 3.49Å; P46-T53 HydrophobicContact CG-CG2 3.87Å; P46-T53 WeakPolarHBondContact CG-O 3.49Å; L50-T53 HydrophobicContact CD2-CG2 4.27Å; L50-T53 VanDerWaalsContact CD2-OG1 3.3Å; L50-T53 WeakPolarHBondContact CD2-OG1 3.48Å; L50-T53 VanDerWaalsContact CG-OG1 3.27Å; L50-T53 WeakPolarHBondContact CG-OG1 3.43Å; N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 PolarHBondContact O-OG1 3.39Å; T53-W69 HydrophobicContact CG2-CB 3.63Å; T53-W69 HydrophobicContact CG2-CD2 4.23Å; T53-W69 HydrophobicContact CG2-CE3 4.48Å; T53-W69 HydrophobicContact CG2-CG 3.89Å; T53-H70 CarbonylContact C-O 3.56Å; T53-H70 WeakPolarHBondContact CA-O 3.26Å; T53-T71 WeakPolarHBondContact CG2-OG1 3.27Å; T53-T71 WeakPolarHBondContact OG1-CB 3.39Å; T53-T71 WeakPolarHBondContact OG1-CG2 3.4Å; T53-T71 PolarHBondContact OG1-OG1 3.26Å
54C95.4Very high94.9Very high19 Ų1962.9 Ų62.913%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-105.8155.1167.7780000110.4W69 H70 Y88C54-W69 WeakPolarHBondContact O-CA 3.34Å; C54-H70 PolarHBondContact N-O 3.22Å; C54-H70 PolarHBondContact O-N 3.44Å; C54-Y88 HydrophobicContact CB-CD1 3.75Å; C54-Y88 HydrophobicContact CB-CD2 4.13Å; C54-Y88 HydrophobicContact CB-CE1 3.74Å; C54-Y88 HydrophobicContact CB-CE2 4.15Å; C54-Y88 HydrophobicContact CB-CG 3.94Å; C54-Y88 WeakPolarHBondContact SG-CD1 3.38Å; C54-Y88 VanDerWaalsContact SG-CG 3.5Å
55N97.4Very high95Very high31 Ų3157.1 Ų57.117%0.16631%0.306CS..EExtended strand (participates in β ladder)trans-110.3139.9174.917880.3000110.3L43 P46 Y57 V68 W69 R109L43-N55 PolarHBondContact O-OD1 3.42Å; P46-N55 HydrophobicContact CG-CB 4.14Å; N55-Y57 WeakPolarHBondContact ND2-CE2 3.22Å; N55-V68 WeakPolarHBondContact CA-O 3.28Å; N55-W69 PolarHBondContact OD1-NE1 3.02Å; N55-R109 PolarHBondContact OD1-NH2 2.69Å
56F97.9Very high95.2Very high11 Ų1151.5 Ų51.55%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-149.3171.2170.563.1-79000110.3L58 V68 H70 L85 L129 W158F56-L58 HydrophobicContact CD2-CD2 3.95Å; F56-L58 HydrophobicContact CD2-CG 4.07Å; F56-L58 HydrophobicContact CE2-CD1 4Å; F56-L58 HydrophobicContact CE2-CD2 3.78Å; F56-L58 HydrophobicContact CE2-CG 3.75Å; F56-V68 HydrophobicContact CD1-CB 4.38Å; F56-V68 HydrophobicContact CD2-CB 4.32Å; F56-V68 HydrophobicContact CE1-CB 3.9Å; F56-V68 HydrophobicContact CE1-CG1 3.73Å; F56-V68 HydrophobicContact CE2-CB 3.86Å; F56-V68 HydrophobicContact CE2-CG1 4.11Å; F56-V68 HydrophobicContact CE2-CG2 4.31Å; F56-V68 HydrophobicContact CZ-CB 3.64Å; F56-V68 HydrophobicContact CZ-CG1 3.43Å; F56-V68 VanDerWaalsContact CZ-CG1 3.43Å; F56-V68 HydrophobicContact CZ-CG2 4.44Å; F56-V68 PolarHBondContact N-O 3.47Å; F56-V68 PolarHBondContact O-N 2.87Å; F56-H70 HydrophobicContact CE1-CB 3.9Å; F56-L85 HydrophobicContact CB-CD1 3.76Å; F56-L85 HydrophobicContact CB-CD2 3.68Å; F56-L85 HydrophobicContact CB-CG 4.39Å; F56-L85 HydrophobicContact CD1-CD1 3.91Å; F56-L85 HydrophobicContact CG-CD1 4.01Å; F56-L85 HydrophobicContact CG-CD2 4.5Å; F56-L129 HydrophobicContact CZ-CD2 4.39Å; F56-W158 HydrophobicContact CD2-CZ2 4.39Å; F56-W158 HydrophobicContact CE1-CH2 4.3Å; F56-W158 AromaticContact CE2-CH2 3.71Å; F56-W158 HydrophobicContact CE2-CH2 3.71Å; F56-W158 AromaticContact CE2-CZ2 3.65Å; F56-W158 HydrophobicContact CE2-CZ2 3.65Å; F56-W158 HydrophobicContact CE2-CZ3 4.19Å; F56-W158 AromaticContact CZ-CH2 3.47Å; F56-W158 HydrophobicContact CZ-CH2 3.47Å; F56-W158 VanDerWaalsContact CZ-CH2 3.47Å; F56-W158 AromaticContact CZ-CZ2 3.93Å; F56-W158 HydrophobicContact CZ-CZ2 3.93Å; F56-W158 AromaticContact CZ-CZ3 3.8Å; F56-W158 HydrophobicContact CZ-CZ3 3.8Å
57Y98.3Very high95.4Very high90 Ų9051.5 Ų51.535%0.35329%0.285SS..EExtended strand (participates in β ladder)trans-122.1143.3179.3-62.7-87.1000110.4R44 N55 V66 D138R44-Y57 WeakPolarHBondContact CG-OH 3.47Å; N55-Y57 WeakPolarHBondContact ND2-CE2 3.22Å; Y57-V66 VanDerWaalsContact CA-O 3.29Å; Y57-V66 WeakPolarHBondContact CA-O 3.44Å; Y57-D138 WeakPolarHBondContact CE1-OD2 3.46Å; Y57-D138 PolarHBondContact OH-OD2 2.95Å
58L98.1Very high95.8Very high14 Ų1446.8 Ų46.87%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-117.2155173.5-64.6-178.2000110.1F56 P60 S65 V66 V68 Y154 L155 W158F56-L58 HydrophobicContact CD2-CD2 3.95Å; F56-L58 HydrophobicContact CD2-CG 4.07Å; F56-L58 HydrophobicContact CE2-CD1 4Å; F56-L58 HydrophobicContact CE2-CD2 3.78Å; F56-L58 HydrophobicContact CE2-CG 3.75Å; L58-P60 WeakPolarHBondContact O-CD 3.29Å; L58-S65 CarbonylContact O-C 3.57Å; L58-S65 WeakPolarHBondContact O-CA 3.48Å; L58-V66 HydrophobicContact CB-CG2 3.97Å; L58-V66 PolarHBondContact N-O 2.88Å; L58-V66 PolarHBondContact O-N 3.28Å; L58-V68 HydrophobicContact CD1-CG2 4.1Å; L58-V68 HydrophobicContact CG-CG2 4.26Å; L58-Y154 HydrophobicContact CB-CD1 4.19Å; L58-Y154 HydrophobicContact CB-CE1 3.81Å; L58-Y154 HydrophobicContact CD1-CD1 4.03Å; L58-Y154 HydrophobicContact CD1-CE1 3.96Å; L58-Y154 HydrophobicContact CD2-CE1 4.27Å; L58-Y154 HydrophobicContact CG-CE1 4.24Å; L58-L155 HydrophobicContact CD1-CD1 3.69Å; L58-W158 HydrophobicContact CD1-CB 4.34Å; L58-W158 HydrophobicContact CD1-CD2 4.19Å; L58-W158 HydrophobicContact CD1-CG 4.01Å; L58-W158 HydrophobicContact CD2-CD2 4.38Å; L58-W158 HydrophobicContact CD2-CG 4.21Å
59S98.1Very high96.1Very high75 Ų7542.9 Ų42.952%0.52424%0.242SC..EExtended strand (participates in β ladder)trans-118.785.7178.6-57.50000110E61 V64S59-E61 PolarHBondContact O-N 3.38Å; S59-V64 WeakPolarHBondContact CA-O 3.27Å
60P97.2Very high96.3Very high16 Ų1640.8 Ų40.810%0.10423%0.229CC..EExtended strand (participates in β ladder)trans-71.6-16.3-17729.5-35.3000113.2L58 V64 V66 N150 D151 Y154L58-P60 WeakPolarHBondContact O-CD 3.29Å; P60-V64 HydrophobicContact CG-CB 4.45Å; P60-V64 HydrophobicContact CG-CG1 3.91Å; P60-V66 HydrophobicContact CG-CG1 4.02Å; P60-V66 HydrophobicContact CG-CG2 4.18Å; P60-N150 PolarHBondContact O-ND2 3.39Å; P60-D151 WeakPolarHBondContact CG-OD1 3.2Å; P60-Y154 HydrophobicContact CB-CD1 4.26Å; P60-Y154 HydrophobicContact CB-CD2 4.02Å; P60-Y154 HydrophobicContact CB-CG 3.74Å
61E96.5Very high96.6Very high103 Ų10340.5 Ų40.548%0.48123%0.228SC..EExtended strand (participates in β ladder)trans-154.4157.1179.3-171.6176.8174.400109.1S59 G63 V64 R134S59-E61 PolarHBondContact O-N 3.38Å; E61-G63 PolarHBondContact O-N 3.01Å; E61-V64 HydrophobicContact CB-CB 4.13Å; E61-V64 HydrophobicContact CB-CG2 4.04Å; E61-V64 PolarHBondContact O-N 3.42Å; E61-V64 VanDerWaalsContact O-N 3.08Å; E61-R134 IonicContact OE2-CZ 2.67Å; E61-R134 IonicContact OE2-NH1 3.51Å; E61-R134 PolarHBondContact OE2-NH1 3.28Å; E61-R134 IonicContact OE2-NH2 3.4Å; E61-R134 PolarHBondContact OE2-NH2 3.44Å
62E95.6Very high97Very high193 Ų19335.6 Ų35.690%0.90220%0.202SC*.THydrogen-bonded Turntrans-57.9130.2175.4-171177.4179.100110.8V64E62-V64 PolarHBondContact O-N 3.01Å
63G95.6Very high97.4Very high74 Ų7433.1 Ų33.176%0.76319%0.19SC*.THydrogen-bonded Turntrans76.3-5.2-177.800000115.5E61 S140E61-G63 PolarHBondContact O-N 3.01Å; G63-S140 PolarHBondContact O-OG 3.27Å
64V98.3Very high97.3Very high16 Ų1635.9 Ų35.910%0.09721%0.207CC..EExtended strand (participates in β ladder)trans-103.3128.7175.1-1780000109.7S59 P60 E61 E62 V66 R134 S140S59-V64 WeakPolarHBondContact CA-O 3.27Å; P60-V64 HydrophobicContact CG-CB 4.45Å; P60-V64 HydrophobicContact CG-CG1 3.91Å; E61-V64 HydrophobicContact CB-CB 4.13Å; E61-V64 HydrophobicContact CB-CG2 4.04Å; E61-V64 PolarHBondContact O-N 3.42Å; E61-V64 VanDerWaalsContact O-N 3.08Å; E62-V64 PolarHBondContact O-N 3.01Å; V64-V66 HydrophobicContact CG1-CG1 4.09Å; V64-R134 HydrophobicContact CG1-CB 3.85Å; V64-S140 WeakPolarHBondContact CA-OG 3.27Å
65S98.4Very high97.2Very high39 Ų3938.8 Ų38.827%0.27323%0.228SC..EExtended strand (participates in β ladder)trans-127.3124.9173.6-173.60000108.9L58 S139 S140L58-S65 CarbonylContact O-C 3.57Å; L58-S65 WeakPolarHBondContact O-CA 3.48Å; S65-S139 CarbonylContact O-C 3.48Å; S65-S139 VanDerWaalsContact O-CA 3.28Å; S65-S139 WeakPolarHBondContact O-CA 3.26Å; S65-S139 WeakPolarHBondContact O-CB 3.45Å; S65-S140 PolarHBondContact N-OG 2.97Å; S65-S140 PolarHBondContact O-N 3.19Å
66V98.7Very high97Very high2 Ų238.6 Ų38.61%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-115.2132.4-179.3-600000110.9Y57 L58 P60 V64 L131 R134 S139 D151Y57-V66 VanDerWaalsContact CA-O 3.29Å; Y57-V66 WeakPolarHBondContact CA-O 3.44Å; L58-V66 HydrophobicContact CB-CG2 3.97Å; L58-V66 PolarHBondContact N-O 2.88Å; L58-V66 PolarHBondContact O-N 3.28Å; P60-V66 HydrophobicContact CG-CG1 4.02Å; P60-V66 HydrophobicContact CG-CG2 4.18Å; V64-V66 HydrophobicContact CG1-CG1 4.09Å; V66-L131 HydrophobicContact CB-CD1 3.8Å; V66-L131 HydrophobicContact CG2-CD1 3.68Å; V66-R134 HydrophobicContact CG1-CB 4.32Å; V66-S139 WeakPolarHBondContact CA-OG 3.45Å; V66-D151 HydrophobicContact CG1-CB 4.34Å
67G98.4Very high96.4Very high0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-80.7133.1178.300000111.8R109 D132 S139G67-R109 PolarHBondContact O-NH1 3.39Å; G67-D132 PolarHBondContact O-N 2.65Å; G67-S139 PolarHBondContact N-OG 3.3Å
68V98.7Very high95.9Very high0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-130133.2179.7-173.70000109.8N55 F56 L58 L129 S130 L131 L155N55-V68 WeakPolarHBondContact CA-O 3.28Å; F56-V68 HydrophobicContact CD1-CB 4.38Å; F56-V68 HydrophobicContact CD2-CB 4.32Å; F56-V68 HydrophobicContact CE1-CB 3.9Å; F56-V68 HydrophobicContact CE1-CG1 3.73Å; F56-V68 HydrophobicContact CE2-CB 3.86Å; F56-V68 HydrophobicContact CE2-CG1 4.11Å; F56-V68 HydrophobicContact CE2-CG2 4.31Å; F56-V68 HydrophobicContact CZ-CB 3.64Å; F56-V68 HydrophobicContact CZ-CG1 3.43Å; F56-V68 VanDerWaalsContact CZ-CG1 3.43Å; F56-V68 HydrophobicContact CZ-CG2 4.44Å; F56-V68 PolarHBondContact N-O 3.47Å; F56-V68 PolarHBondContact O-N 2.87Å; L58-V68 HydrophobicContact CD1-CG2 4.1Å; L58-V68 HydrophobicContact CG-CG2 4.26Å; V68-L129 HydrophobicContact CG1-CB 4.37Å; V68-L129 HydrophobicContact CG1-CD2 4.41Å; V68-S130 WeakPolarHBondContact CA-O 3.47Å; V68-L131 HydrophobicContact CG2-CD1 3.84Å; V68-L155 HydrophobicContact CG1-CD1 4.08Å; V68-L155 HydrophobicContact CG1-CD2 4.28Å; V68-L155 HydrophobicContact CG2-CD1 4.27Å; V68-L155 HydrophobicContact CG2-CD2 4.42Å
69W98.4Very high95.4Very high2 Ų248.1 Ų48.11%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-100130.5167.1-76.4-3.1000110.4L43 P46 V49 L50 T53 C54 N55 R109 A110 L129 S130L43-W69 HydrophobicContact CB-CZ2 4.39Å; L43-W69 HydrophobicContact CD2-CH2 4.05Å; L43-W69 HydrophobicContact CD2-CZ2 3.7Å; L43-W69 PolarHBondContact O-NE1 3.27Å; P46-W69 HydrophobicContact CB-CD2 3.86Å; P46-W69 HydrophobicContact CB-CE3 4.37Å; P46-W69 HydrophobicContact CB-CG 4.22Å; P46-W69 HydrophobicContact CB-CH2 4.38Å; P46-W69 HydrophobicContact CB-CZ2 3.86Å; V49-W69 HydrophobicContact CG2-CH2 3.52Å; V49-W69 HydrophobicContact CG2-CZ2 4.49Å; V49-W69 HydrophobicContact CG2-CZ3 3.99Å; L50-W69 HydrophobicContact CD2-CE3 4.34Å; T53-W69 HydrophobicContact CG2-CB 3.63Å; T53-W69 HydrophobicContact CG2-CD2 4.23Å; T53-W69 HydrophobicContact CG2-CE3 4.48Å; T53-W69 HydrophobicContact CG2-CG 3.89Å; C54-W69 WeakPolarHBondContact O-CA 3.34Å; N55-W69 PolarHBondContact OD1-NE1 3.02Å; W69-R109 HydrophobicContact CD2-CG 3.74Å; W69-R109 HydrophobicContact CE3-CB 4.34Å; W69-R109 HydrophobicContact CE3-CG 3.82Å; W69-R109 HydrophobicContact CG-CG 4.3Å; W69-R109 HydrophobicContact CH2-CG 4.21Å; W69-R109 HydrophobicContact CZ2-CG 4.14Å; W69-R109 HydrophobicContact CZ3-CG 4.05Å; W69-A110 HydrophobicContact CH2-CB 3.7Å; W69-A110 HydrophobicContact CZ3-CB 4.32Å; W69-L129 CarbonylContact O-C 3.57Å; W69-L129 VanDerWaalsContact O-CA 3.27Å; W69-L129 WeakPolarHBondContact O-CA 3.35Å; W69-S130 PolarHBondContact N-O 3.41Å; W69-S130 PolarHBondContact O-N 3.12Å
70H98Very high94.9Very high1 Ų144.9 Ų44.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-108.2109168.5175.1-155.3000109.6T53 C54 F56 Y88 L92 H127 V128 L129T53-H70 CarbonylContact C-O 3.56Å; T53-H70 WeakPolarHBondContact CA-O 3.26Å; C54-H70 PolarHBondContact N-O 3.22Å; C54-H70 PolarHBondContact O-N 3.44Å; F56-H70 HydrophobicContact CE1-CB 3.9Å; H70-Y88 PolarHBondContact CE1-O 2.79Å; H70-Y88 AromaticContact ND1-CD1 3.7Å; H70-Y88 PolarHBondContact ND1-O 2.89Å; H70-L92 WeakPolarHBondContact NE2-CD2 3.42Å; H70-H127 AromaticContact CE1-ND1 3.65Å; H70-H127 AromaticContact NE2-CG 3.63Å; H70-H127 AromaticContact NE2-ND1 3Å; H70-H127 PolarHBondContact NE2-ND1 3.17Å; H70-V128 WeakPolarHBondContact CA-O 3.38Å; H70-L129 HydrophobicContact CB-CD2 3.66Å
71T97.7Very high94.3Very high0 Ų047.6 Ų47.60%028%0.278CS..EExtended strand (participates in β ladder)trans-97.3127.4174.4-51.20000109L50 T53 V118 V128L50-T71 HydrophobicContact CD2-CG2 4.2Å; L50-T71 VanDerWaalsContact CD2-OG1 3.26Å; L50-T71 WeakPolarHBondContact CD2-OG1 3.26Å; L50-T71 HydrophobicContact CG-CG2 4.4Å; T53-T71 WeakPolarHBondContact CG2-OG1 3.27Å; T53-T71 WeakPolarHBondContact OG1-CB 3.39Å; T53-T71 WeakPolarHBondContact OG1-CG2 3.4Å; T53-T71 PolarHBondContact OG1-OG1 3.26Å; T71-V118 HydrophobicContact CG2-CG1 3.92Å; T71-V118 WeakPolarHBondContact OG1-CG1 3.17Å; T71-V128 PolarHBondContact N-O 2.86Å; T71-V128 PolarHBondContact O-N 2.97Å
72L97Very high93.7Very high0 Ų047 Ų470%030%0.3CS..PPolyproline II helixtrans-78.2157.6179.9-64169.7000111.5H52 V74 Q76 A80 W87 Y88 A91 S122H52-L72 PolarHBondContact O-N 3.17Å; L72-V74 PolarHBondContact O-N 3.06Å; L72-Q76 HydrophobicContact CB-CB 4.43Å; L72-A80 HydrophobicContact CD1-CB 3.29Å; L72-W87 HydrophobicContact CD1-CH2 4.42Å; L72-W87 HydrophobicContact CD1-CZ3 3.81Å; L72-W87 HydrophobicContact CD2-CZ3 4.48Å; L72-Y88 HydrophobicContact CD1-CD1 3.93Å; L72-Y88 HydrophobicContact CD1-CE1 3.41Å; L72-Y88 VanDerWaalsContact CD1-CE1 3.41Å; L72-Y88 HydrophobicContact CD2-CD1 3.92Å; L72-Y88 HydrophobicContact CD2-CE1 4.2Å; L72-Y88 HydrophobicContact CG-CD1 3.84Å; L72-Y88 HydrophobicContact CG-CE1 3.6Å; L72-A91 HydrophobicContact CD2-CB 4.1Å; L72-S122 WeakPolarHBondContact O-CB 3.45Å; L72-S122 PolarHBondContact O-OG 3.23Å
73P96.4Very high93.5Very high0 Ų044.5 Ų44.50%028%0.282CS..PPolyproline II helixtrans-49.4135.3159.8-27.235.1000110S75 Q76 S122 G125 H127P73-S75 PolarHBondContact O-N 3.43Å; P73-Q76 HydrophobicContact CB-CG 4.43Å; P73-Q76 PolarHBondContact O-N 3.28Å; P73-S122 WeakPolarHBondContact CA-O 3.36Å; P73-G125 WeakPolarHBondContact CG-O 3.12Å; P73-H127 WeakPolarHBondContact CD-CE1 3.33Å; P73-H127 VanDerWaalsContact CD-ND1 3.29Å; P73-H127 WeakPolarHBondContact CD-ND1 3.39Å
74V93.9Very high93.2Very high67 Ų6745.8 Ų45.841%0.40627%0.272SS..G310 helixtrans-56.4-31.7-174.473.70000111.8L72 Q76 W77 S122L72-V74 PolarHBondContact O-N 3.06Å; V74-Q76 PolarHBondContact O-N 3.26Å; V74-Q76 VanDerWaalsContact O-N 3.16Å; V74-W77 WeakPolarHBondContact O-CB 3.47Å; V74-W77 PolarHBondContact O-N 2.74Å; V74-S122 PolarHBondContact N-O 2.9Å; V74-S122 PolarHBondContact N-OG 3.04Å
75S93.1Very high92.9Very high81 Ų8148 Ų4857%0.56628%0.283SS*.G310 helixtrans-65.2-14.2178.654.30000114.8P73P73-S75 PolarHBondContact O-N 3.43Å
76Q92.1Very high92.6Very high27 Ų2751.3 Ų51.313%0.12630%0.297CS..G310 helixtrans-99.14.6-178.8-64.1-166.671.300113.7L72 P73 V74 E78 A79 A80 D94 H127L72-Q76 HydrophobicContact CB-CB 4.43Å; P73-Q76 HydrophobicContact CB-CG 4.43Å; P73-Q76 PolarHBondContact O-N 3.28Å; V74-Q76 PolarHBondContact O-N 3.26Å; V74-Q76 VanDerWaalsContact O-N 3.16Å; Q76-E78 PolarHBondContact O-N 2.83Å; Q76-A79 PolarHBondContact O-N 2.84Å; Q76-A80 PolarHBondContact O-N 2.75Å; Q76-D94 PolarHBondContact NE2-OD2 3.02Å; Q76-H127 PolarHBondContact NE2-CE1 3.19Å; Q76-H127 PolarHBondContact NE2-NE2 2.8Å
77W85.9Confident92.4Very high122 Ų12254.1 Ų54.146%0.46231%0.308SS..THydrogen-bonded Turntrans-62-39.3-169.679.9-85.5000114.7H52 V74 A80H52-W77 HydrophobicContact CB-CB 4.34Å; H52-W77 WeakPolarHBondContact CE1-CB 3.4Å; H52-W77 AromaticContact CE1-CD2 3.84Å; H52-W77 AromaticContact CE1-CE3 3.57Å; H52-W77 AromaticContact CE1-CG 3.84Å; H52-W77 VanDerWaalsContact CG-CB 3.49Å; H52-W77 WeakPolarHBondContact ND1-CB 3.49Å; H52-W77 AromaticContact NE2-CG 3.98Å; V74-W77 WeakPolarHBondContact O-CB 3.47Å; V74-W77 PolarHBondContact O-N 2.74Å; W77-A80 PolarHBondContact O-N 2.91Å
78E87.2Confident92.2Very high142 Ų14255.1 Ų55.166%0.66431%0.311SS*.THydrogen-bonded Turntrans-67-40.6179.2-62.3-177.7164.700111.1Q76 A80 A81Q76-E78 PolarHBondContact O-N 2.83Å; E78-A80 PolarHBondContact O-N 3.11Å; E78-A81 WeakPolarHBondContact O-CB 3.3Å; E78-A81 PolarHBondContact O-N 2.55Å
79A87.9Confident91.9Very high51 Ų5156.8 Ų56.842%0.42132%0.319SS..THydrogen-bonded Turntrans-67.1-26.7-179.900000112.7Q76 R83 W87Q76-A79 PolarHBondContact O-N 2.84Å; A79-R83 WeakPolarHBondContact O-CG 3.29Å; A79-R83 PolarHBondContact O-NE 2.88Å; A79-W87 HydrophobicContact CB-CH2 4.16Å; A79-W87 HydrophobicContact CB-CZ2 4.03Å
80A87Confident91.7Very high6 Ų661.8 Ų61.85%0.0534%0.343CS..THydrogen-bonded Turntrans-80.6-12.5-179.700000114L72 Q76 W77 E78 G82 R83 W87 Y88L72-A80 HydrophobicContact CD1-CB 3.29Å; Q76-A80 PolarHBondContact O-N 2.75Å; W77-A80 PolarHBondContact O-N 2.91Å; E78-A80 PolarHBondContact O-N 3.11Å; A80-G82 PolarHBondContact O-N 3.16Å; A80-R83 WeakPolarHBondContact O-CB 3.48Å; A80-R83 PolarHBondContact O-N 2.92Å; A80-R83 VanDerWaalsContact O-N 3.12Å; A80-W87 HydrophobicContact CB-CH2 4.14Å; A80-W87 HydrophobicContact CB-CZ3 3.8Å; A80-Y88 HydrophobicContact CB-CE2 4.39Å
81A86.1Confident91.6Very high74 Ų7462.2 Ų62.261%0.61235%0.346SS*.THydrogen-bonded Turntrans-61.3119.6-177.600000111.3E78 R83E78-A81 WeakPolarHBondContact O-CB 3.3Å; E78-A81 PolarHBondContact O-N 2.55Å; A81-R83 VanDerWaalsContact C-N 3.25Å; A81-R83 PolarHBondContact O-N 2.73Å
82G83.4Confident91.5Very high91 Ų9162.2 Ų62.294%0.93835%0.346SS*.THydrogen-bonded Turntrans72.911.3-179.900000115.2A80A80-G82 PolarHBondContact O-N 3.16Å
83R90.1Very high91.4Very high140 Ų14063 Ų6353%0.52835%0.354SS..  trans-80.7152176.8-62.3-62.5-174.6179.3-1.1112.2A79 A80 A81 W87 Y88A79-R83 WeakPolarHBondContact O-CG 3.29Å; A79-R83 PolarHBondContact O-NE 2.88Å; A80-R83 WeakPolarHBondContact O-CB 3.48Å; A80-R83 PolarHBondContact O-N 2.92Å; A80-R83 VanDerWaalsContact O-N 3.12Å; A81-R83 VanDerWaalsContact C-N 3.25Å; A81-R83 PolarHBondContact O-N 2.73Å; R83-W87 HydrophobicContact CB-CB 3.95Å; R83-W87 HydrophobicContact CB-CD2 3.79Å; R83-W87 HydrophobicContact CB-CE3 3.77Å; R83-W87 HydrophobicContact CB-CG 3.86Å; R83-W87 HydrophobicContact CG-CB 4.42Å; R83-W87 HydrophobicContact CG-CD2 3.6Å; R83-W87 HydrophobicContact CG-CE3 3.87Å; R83-W87 HydrophobicContact CG-CG 3.83Å; R83-W87 HydrophobicContact CG-CZ3 4.46Å; R83-Y88 HydrophobicContact CB-CD2 4.49Å; R83-Y88 HydrophobicContact CB-CE2 4.26Å
84D91.3Very high91.4Very high100 Ų10065.5 Ų65.554%0.53537%0.368SS..  trans-90177.1176.961.512.2000112.1D86 W87 Y88D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 3.25Å; D84-D86 PolarHBondContact OD1-N 2.81Å; D84-W87 PolarHBondContact O-N 3.49Å; D84-W87 WeakPolarHBondContact OD1-CB 3.29Å; D84-W87 PolarHBondContact OD1-N 3.36Å; D84-Y88 WeakPolarHBondContact O-CD2 3.31Å; D84-Y88 PolarHBondContact O-N 2.91Å
85L90.7Very high91.5Very high63 Ų6365 Ų6533%0.3338%0.376SS..Hα-helixtrans-63.9-34.6-177.7-179.961.9000112.8F56 W87 Y88 Q89F56-L85 HydrophobicContact CB-CD1 3.76Å; F56-L85 HydrophobicContact CB-CD2 3.68Å; F56-L85 HydrophobicContact CB-CG 4.39Å; F56-L85 HydrophobicContact CD1-CD1 3.91Å; F56-L85 HydrophobicContact CG-CD1 4.01Å; F56-L85 HydrophobicContact CG-CD2 4.5Å; L85-W87 VanDerWaalsContact C-N 3.31Å; L85-W87 PolarHBondContact O-N 2.99Å; L85-Y88 PolarHBondContact O-N 3.28Å; L85-Q89 WeakPolarHBondContact O-CG 2.97Å; L85-Q89 PolarHBondContact O-N 2.86Å
86D93.3Very high91.6Very high108 Ų10865.5 Ų65.558%0.57837%0.365SS*.Hα-helixtrans-64-40.9-179.7-70.7-14.4000110.4D84 Y88 Q89 E90D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 3.25Å; D84-D86 PolarHBondContact OD1-N 2.81Å; D86-Y88 PolarHBondContact O-N 3.15Å; D86-Q89 PolarHBondContact O-N 3.18Å; D86-E90 WeakPolarHBondContact O-CG 3.4Å; D86-E90 PolarHBondContact O-N 2.83Å
87W94.4Very high91.9Very high61 Ų6166 Ų6623%0.23137%0.371CS..Hα-helixtrans-61.1-42.6173.4-173.491.1000112.8L72 A79 A80 R83 D84 L85 Q89 E90 A91L72-W87 HydrophobicContact CD1-CH2 4.42Å; L72-W87 HydrophobicContact CD1-CZ3 3.81Å; L72-W87 HydrophobicContact CD2-CZ3 4.48Å; A79-W87 HydrophobicContact CB-CH2 4.16Å; A79-W87 HydrophobicContact CB-CZ2 4.03Å; A80-W87 HydrophobicContact CB-CH2 4.14Å; A80-W87 HydrophobicContact CB-CZ3 3.8Å; R83-W87 HydrophobicContact CB-CB 3.95Å; R83-W87 HydrophobicContact CB-CD2 3.79Å; R83-W87 HydrophobicContact CB-CE3 3.77Å; R83-W87 HydrophobicContact CB-CG 3.86Å; R83-W87 HydrophobicContact CG-CB 4.42Å; R83-W87 HydrophobicContact CG-CD2 3.6Å; R83-W87 HydrophobicContact CG-CE3 3.87Å; R83-W87 HydrophobicContact CG-CG 3.83Å; R83-W87 HydrophobicContact CG-CZ3 4.46Å; D84-W87 PolarHBondContact O-N 3.49Å; D84-W87 WeakPolarHBondContact OD1-CB 3.29Å; D84-W87 PolarHBondContact OD1-N 3.36Å; L85-W87 VanDerWaalsContact C-N 3.31Å; L85-W87 PolarHBondContact O-N 2.99Å; W87-Q89 VanDerWaalsContact C-N 3.34Å; W87-Q89 PolarHBondContact O-N 2.94Å; W87-E90 PolarHBondContact O-N 3.32Å; W87-A91 HydrophobicContact CE3-CB 4.47Å; W87-A91 HydrophobicContact CH2-CB 4.38Å; W87-A91 HydrophobicContact CZ3-CB 4.17Å; W87-A91 WeakPolarHBondContact O-CB 3.46Å; W87-A91 PolarHBondContact O-N 3.28Å
88Y93.4Very high92.5Very high21 Ų2160.2 Ų60.28%0.08235%0.349CS..Hα-helixtrans-62.3-41.7176.3-87.1-106000111.5C54 H70 L72 A80 R83 D84 L85 D86 E90 A91C54-Y88 HydrophobicContact CB-CD1 3.75Å; C54-Y88 HydrophobicContact CB-CD2 4.13Å; C54-Y88 HydrophobicContact CB-CE1 3.74Å; C54-Y88 HydrophobicContact CB-CE2 4.15Å; C54-Y88 HydrophobicContact CB-CG 3.94Å; C54-Y88 WeakPolarHBondContact SG-CD1 3.38Å; C54-Y88 VanDerWaalsContact SG-CG 3.5Å; H70-Y88 PolarHBondContact CE1-O 2.79Å; H70-Y88 AromaticContact ND1-CD1 3.7Å; H70-Y88 PolarHBondContact ND1-O 2.89Å; L72-Y88 HydrophobicContact CD1-CD1 3.93Å; L72-Y88 HydrophobicContact CD1-CE1 3.41Å; L72-Y88 VanDerWaalsContact CD1-CE1 3.41Å; L72-Y88 HydrophobicContact CD2-CD1 3.92Å; L72-Y88 HydrophobicContact CD2-CE1 4.2Å; L72-Y88 HydrophobicContact CG-CD1 3.84Å; L72-Y88 HydrophobicContact CG-CE1 3.6Å; A80-Y88 HydrophobicContact CB-CE2 4.39Å; R83-Y88 HydrophobicContact CB-CD2 4.49Å; R83-Y88 HydrophobicContact CB-CE2 4.26Å; D84-Y88 WeakPolarHBondContact O-CD2 3.31Å; D84-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 PolarHBondContact O-N 3.28Å; D86-Y88 PolarHBondContact O-N 3.15Å; Y88-E90 PolarHBondContact O-N 3.38Å; Y88-A91 WeakPolarHBondContact O-CB 3.07Å; Y88-A91 PolarHBondContact O-N 3.03Å
89Q93.5Very high93.1Very high35 Ų3553.9 Ų53.916%0.16432%0.319CS..Hα-helixtrans-63.4-41.5176.5-70.1-177.148.400112.2L85 D86 W87 A91 L92 W158L85-Q89 WeakPolarHBondContact O-CG 2.97Å; L85-Q89 PolarHBondContact O-N 2.86Å; D86-Q89 PolarHBondContact O-N 3.18Å; W87-Q89 VanDerWaalsContact C-N 3.34Å; W87-Q89 PolarHBondContact O-N 2.94Å; Q89-A91 VanDerWaalsContact C-N 3.31Å; Q89-A91 PolarHBondContact O-N 2.84Å; Q89-L92 WeakPolarHBondContact O-CB 3.11Å; Q89-L92 PolarHBondContact O-N 3.23Å; Q89-W158 HydrophobicContact CG-CH2 3.96Å; Q89-W158 HydrophobicContact CG-CZ2 3.78Å
90E93.9Very high93.6Very high107 Ų10751.4 Ų51.450%0.530%0.299SS..Hα-helixtrans-65.4-34.3176.3-74.2-65.8131.700112.4D86 W87 Y88 L92 G93 R164D86-E90 WeakPolarHBondContact O-CG 3.4Å; D86-E90 PolarHBondContact O-N 2.83Å; W87-E90 PolarHBondContact O-N 3.32Å; Y88-E90 PolarHBondContact O-N 3.38Å; E90-L92 PolarHBondContact O-N 3.21Å; E90-G93 PolarHBondContact O-N 3.32Å; E90-R164 IonicContact OE1-NH2 2.6Å; E90-R164 IonicContact OE2-CZ 2.73Å; E90-R164 IonicContact OE2-NH1 2.69Å; E90-R164 IonicContact OE2-NH2 3.51Å; E90-R164 PolarHBondContact OE2-NH2 3.42Å
91A95Very high94.1Very high10 Ų1051.2 Ų51.28%0.08330%0.297CS..Hα-helixtrans-62-24.4177.700000113.2L72 W87 Y88 Q89 G93 D94 H127L72-A91 HydrophobicContact CD2-CB 4.1Å; W87-A91 HydrophobicContact CE3-CB 4.47Å; W87-A91 HydrophobicContact CH2-CB 4.38Å; W87-A91 HydrophobicContact CZ3-CB 4.17Å; W87-A91 WeakPolarHBondContact O-CB 3.46Å; W87-A91 PolarHBondContact O-N 3.28Å; Y88-A91 WeakPolarHBondContact O-CB 3.07Å; Y88-A91 PolarHBondContact O-N 3.03Å; Q89-A91 VanDerWaalsContact C-N 3.31Å; Q89-A91 PolarHBondContact O-N 2.84Å; A91-G93 PolarHBondContact O-N 3Å; A91-G93 VanDerWaalsContact O-N 3.14Å; A91-D94 VanDerWaalsContact O-CB 3.31Å; A91-D94 WeakPolarHBondContact O-CB 3.44Å; A91-D94 VanDerWaalsContact O-CG 3.24Å; A91-D94 PolarHBondContact O-N 2.71Å; A91-H127 PolarHBondContact O-CE1 3.13Å; A91-H127 PolarHBondContact O-NE2 2.94Å; A91-H127 VanDerWaalsContact O-NE2 3.17Å
92L95.8Very high94.7Very high0 Ų047.7 Ų47.70%027%0.268CS..THydrogen-bonded Turntrans-59.8-23.5173.8-71.2166.1000112.9H70 Q89 E90 D94 V98 H127 W158 R162 S163H70-L92 WeakPolarHBondContact NE2-CD2 3.42Å; Q89-L92 WeakPolarHBondContact O-CB 3.11Å; Q89-L92 PolarHBondContact O-N 3.23Å; E90-L92 PolarHBondContact O-N 3.21Å; L92-D94 VanDerWaalsContact C-N 3.33Å; L92-V98 HydrophobicContact CD2-CG1 4.07Å; L92-V98 HydrophobicContact CD2-CG2 3.84Å; L92-H127 HydrophobicContact CD2-CB 3.84Å; L92-W158 HydrophobicContact CD1-CH2 3.82Å; L92-W158 HydrophobicContact CD1-CZ3 3.59Å; L92-R162 HydrophobicContact CB-CB 4.26Å; L92-R162 HydrophobicContact CD1-CB 4Å; L92-S163 WeakPolarHBondContact O-CA 3.35Å
93G95.4Very high95.5Very high16 Ų1643.4 Ų43.417%0.16522%0.224CC..THydrogen-bonded Turntrans-90.818.9-179.100000114.6E90 A91 G95 R162E90-G93 PolarHBondContact O-N 3.32Å; A91-G93 PolarHBondContact O-N 3Å; A91-G93 VanDerWaalsContact O-N 3.14Å; G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.98Å; G93-R162 WeakPolarHBondContact CA-O 3.29Å; G93-R162 PolarHBondContact N-O 3.38Å
94D95.1Very high95.8Very high54 Ų5436.9 Ų36.929%0.28920%0.2SC..SBendtrans-83.80-175.777.8-7.4000114.8Q76 A91 L92 R96 H127Q76-D94 PolarHBondContact NE2-OD2 3.02Å; A91-D94 VanDerWaalsContact O-CB 3.31Å; A91-D94 WeakPolarHBondContact O-CB 3.44Å; A91-D94 VanDerWaalsContact O-CG 3.24Å; A91-D94 PolarHBondContact O-N 2.71Å; L92-D94 VanDerWaalsContact C-N 3.33Å; D94-R96 VanDerWaalsContact OD1-CB 3.26Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 WeakPolarHBondContact OD1-CG 3.39Å; D94-R96 PolarHBondContact OD1-N 3.28Å; D94-R96 WeakPolarHBondContact OD2-CD 3.25Å; D94-R96 IonicContact OD2-CZ 3.37Å; D94-R96 IonicContact OD2-NE 3.43Å; D94-R96 IonicContact OD2-NH1 3.99Å; D94-R96 PolarHBondContact OD2-NH1 3.02Å; D94-H127 IonicContact OD1-CD2 3.03Å; D94-H127 IonicContact OD1-NE2 3.59Å; D94-H127 PolarHBondContact OD1-NE2 2.86Å; D94-H127 IonicContact OD2-NE2 3.27Å; D94-H127 PolarHBondContact OD2-NE2 2.82Å
95G96Very high96Very high55 Ų5534.8 Ų34.857%0.56719%0.189SC*.SBendtrans95.4-6.5-179.600000114.9G93 S166G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.98Å; G95-S166 VanDerWaalsContact CA-OG 3.22Å; G95-S166 WeakPolarHBondContact CA-OG 3.47Å; G95-S166 PolarHBondContact N-OG 2.95Å
96R96.9Very high96.1Very high93 Ų9334.8 Ų34.835%0.35119%0.189SC..  trans-82.7146.6178.2-66.9175.8172.686.45.3111.5D94 G125 S166D94-R96 VanDerWaalsContact OD1-CB 3.26Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 WeakPolarHBondContact OD1-CG 3.39Å; D94-R96 PolarHBondContact OD1-N 3.28Å; D94-R96 WeakPolarHBondContact OD2-CD 3.25Å; D94-R96 IonicContact OD2-CZ 3.37Å; D94-R96 IonicContact OD2-NE 3.43Å; D94-R96 IonicContact OD2-NH1 3.99Å; D94-R96 PolarHBondContact OD2-NH1 3.02Å; R96-G125 WeakPolarHBondContact CD-O 3.48Å; R96-S166 VanDerWaalsContact O-CB 3.28Å; R96-S166 WeakPolarHBondContact O-CB 3.4Å
97P97.6Very high96.1Very high37 Ų3729.7 Ų29.724%0.2416%0.161CC..  trans-65.8149178.5-17.531.6000112.1Y126 H127 L167P97-Y126 HydrophobicContact CB-CD1 3.68Å; P97-Y126 HydrophobicContact CB-CE1 3.71Å; P97-Y126 HydrophobicContact CG-CD1 4.09Å; P97-Y126 HydrophobicContact CG-CE1 3.8Å; P97-H127 PolarHBondContact O-N 2.81Å; P97-L167 WeakPolarHBondContact CA-O 3.48Å; P97-L167 HydrophobicContact CB-CB 4.09Å
98V98.6Very high96.2Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-109.3128178.7-174.10000108.8L92 H127 L129 L167 V168 C169L92-V98 HydrophobicContact CD2-CG1 4.07Å; L92-V98 HydrophobicContact CD2-CG2 3.84Å; V98-H127 CarbonylContact C-O 3.55Å; V98-H127 WeakPolarHBondContact CA-O 3.41Å; V98-H127 HydrophobicContact CB-CB 4.47Å; V98-H127 HydrophobicContact CG1-CB 4.32Å; V98-H127 HydrophobicContact CG2-CB 4.16Å; V98-L129 HydrophobicContact CG1-CD1 3.76Å; V98-L129 HydrophobicContact CG1-CG 3.99Å; V98-L167 PolarHBondContact N-O 3.12Å; V98-V168 HydrophobicContact CB-CG2 4.31Å; V98-V168 CarbonylContact O-C 3.55Å; V98-V168 WeakPolarHBondContact O-CA 3.43Å; V98-C169 PolarHBondContact O-N 3.09Å
99I98.8Very high96.4Very high9 Ų926.1 Ų26.15%0.04615%0.148CC..EExtended strand (participates in β ladder)trans-106.1120.5172.1-61.7175.8000108.7L121 Y126 H127 V128 L129 W171I99-L121 HydrophobicContact CB-CD1 4.46Å; I99-L121 HydrophobicContact CD1-CB 4.31Å; I99-L121 HydrophobicContact CD1-CD1 3.89Å; I99-L121 HydrophobicContact CD1-CD2 3.66Å; I99-L121 HydrophobicContact CD1-CG 4.15Å; I99-L121 HydrophobicContact CG2-CD1 4.01Å; I99-Y126 HydrophobicContact CD1-CD1 3.95Å; I99-Y126 HydrophobicContact CD1-CD2 3.68Å; I99-Y126 HydrophobicContact CD1-CE1 4.45Å; I99-Y126 HydrophobicContact CD1-CE2 4.24Å; I99-Y126 HydrophobicContact CD1-CG 3.55Å; I99-Y126 HydrophobicContact CG1-CD1 4.16Å; I99-Y126 HydrophobicContact CG1-CG 4.08Å; I99-H127 PolarHBondContact N-O 3.32Å; I99-V128 CarbonylContact O-C 3.55Å; I99-V128 WeakPolarHBondContact O-CA 3.33Å; I99-L129 PolarHBondContact O-N 2.79Å; I99-W171 HydrophobicContact CG2-CB 3.73Å
100I98.9Very high96.6Very high0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-89.6111.1167.3-62.5169.7000107.5L102 L129 L155 H156 A159 V168 C169 L170 W171I100-L102 HydrophobicContact CG2-CD2 3.88Å; I100-L102 HydrophobicContact CG2-CG 4.18Å; I100-L129 CarbonylContact C-O 3.25Å; I100-L129 WeakPolarHBondContact CA-O 3.33Å; I100-L129 HydrophobicContact CG1-CB 4.22Å; I100-L129 HydrophobicContact CG1-CD1 4.19Å; I100-L155 HydrophobicContact CD1-CG 4.21Å; I100-L155 HydrophobicContact CG1-CG 4.42Å; I100-L155 HydrophobicContact CG2-CD2 3.69Å; I100-L155 HydrophobicContact CG2-CG 4.21Å; I100-H156 VanDerWaalsContact CD1-CA 3.45Å; I100-H156 HydrophobicContact CD1-CB 3.93Å; I100-A159 HydrophobicContact CD1-CB 4.2Å; I100-V168 HydrophobicContact CD1-CG1 3.71Å; I100-V168 HydrophobicContact CG1-CG1 4.26Å; I100-C169 PolarHBondContact N-O 2.89Å; I100-L170 HydrophobicContact CB-CD2 3.78Å; I100-L170 HydrophobicContact CD1-CD2 3.95Å; I100-L170 HydrophobicContact CG1-CD2 4.39Å; I100-L170 HydrophobicContact CG2-CD2 4.11Å; I100-W171 PolarHBondContact O-N 3.37Å
101Y98.9Very high96.7Very high2 Ų220.3 Ų20.31%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-91.5117.9178.8179.4-114.1000110.8H103 R114 L117 V118 L129 L131 W171 H173Y101-H103 HydrophobicContact CD1-CB 4.48Å; Y101-H103 HydrophobicContact CE1-CB 3.76Å; Y101-R114 HydrophobicContact CE1-CB 3.85Å; Y101-R114 HydrophobicContact CE1-CG 4.06Å; Y101-L117 HydrophobicContact CD2-CD2 3.77Å; Y101-L117 HydrophobicContact CE2-CD2 3.31Å; Y101-V118 HydrophobicContact CD1-CG2 4.5Å; Y101-L129 PolarHBondContact N-O 3.42Å; Y101-L131 PolarHBondContact O-N 3.01Å; Y101-W171 HydrophobicContact CD2-CB 4.23Å; Y101-W171 AromaticContact CD2-CD1 3.55Å; Y101-W171 HydrophobicContact CD2-CG 4.02Å; Y101-W171 AromaticContact CE2-CD1 3.62Å; Y101-W171 HydrophobicContact CE2-CG 4.49Å; Y101-H173 HydrophobicContact CE2-CB 4.08Å
102L98.9Very high96.7Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-109.4104.9-179.6-57.7173.6000107.6I100 L131 Y133 A152 W171 H173 V179 A180I100-L102 HydrophobicContact CG2-CD2 3.88Å; I100-L102 HydrophobicContact CG2-CG 4.18Å; L102-L131 HydrophobicContact CD2-CD2 4.02Å; L102-Y133 WeakPolarHBondContact CA-OH 3.21Å; L102-Y133 HydrophobicContact CB-CE1 4.4Å; L102-Y133 WeakPolarHBondContact CB-OH 3.33Å; L102-Y133 HydrophobicContact CD2-CE1 4.04Å; L102-A152 HydrophobicContact CD1-CB 4.02Å; L102-A152 HydrophobicContact CD2-CB 3.78Å; L102-W171 PolarHBondContact N-O 3.14Å; L102-H173 PolarHBondContact O-N 2.82Å; L102-V179 HydrophobicContact CD1-CB 4.49Å; L102-V179 HydrophobicContact CD1-CG1 4.25Å; L102-A180 HydrophobicContact CD1-CB 3.7Å
103H98.4Very high96.7Very high1 Ų130.1 Ų30.11%0.00516%0.158CC..  trans-78.1164.7-171.370.468.4000114Y101 R114 L131 D132 Y133 F136 H173 G176Y101-H103 HydrophobicContact CD1-CB 4.48Å; Y101-H103 HydrophobicContact CE1-CB 3.76Å; H103-R114 PolarHBondContact ND1-NH1 3.1Å; H103-R114 VanDerWaalsContact ND1-NH1 3.19Å; H103-L131 PolarHBondContact CD2-O 3.43Å; H103-L131 PolarHBondContact NE2-O 3.4Å; H103-D132 IonicContact CD2-OD1 3.43Å; H103-D132 IonicContact CE1-OD1 2.97Å; H103-D132 IonicContact NE2-OD1 2.72Å; H103-D132 PolarHBondContact NE2-OD1 3.02Å; H103-Y133 AromaticContact CE1-CD2 3.6Å; H103-Y133 AromaticContact CE1-CE2 3.41Å; H103-Y133 VanDerWaalsContact CE1-CE2 3.41Å; H103-Y133 WeakPolarHBondContact CE1-CE2 3.1Å; H103-Y133 PolarHBondContact N-OH 3.17Å; H103-Y133 AromaticContact ND1-CE2 3.66Å; H103-Y133 AromaticContact NE2-CD2 3.78Å; H103-Y133 AromaticContact NE2-CE2 3.72Å; H103-Y133 WeakPolarHBondContact O-CE2 3.46Å; H103-Y133 PolarHBondContact O-OH 3.39Å; H103-F136 AromaticContact CE1-CD1 3.66Å; H103-H173 CarbonylContact C-O 3.55Å; H103-G176 WeakPolarHBondContact O-CA 3.4Å; H103-G176 PolarHBondContact O-N 2.8Å
104G97Very high96.8Very high2 Ų229.6 Ų29.62%0.02115%0.151CC..  trans-68-173.5175.700000115R114 H173G104-R114 PolarHBondContact O-NH2 2.91Å; G104-H173 WeakPolarHBondContact CA-O 3.22Å; G104-H173 PolarHBondContact N-O 2.83Å; G104-H173 VanDerWaalsContact N-O 3.13Å
105N95.2Very high96.9Very high57 Ų5727.4 Ų27.431%0.30514%0.14SC..SBendtrans-65.6171.9172.673.7-22.1000111.1I30 R114 L175I30-N105 VanDerWaalsContact O-CB 3.24Å; I30-N105 WeakPolarHBondContact O-CB 3.5Å; I30-N105 PolarHBondContact O-ND2 3.29Å; N105-R114 PolarHBondContact O-NH2 2.7Å; N105-L175 HydrophobicContact CB-CB 4.24Å; N105-L175 HydrophobicContact CB-CD2 3.98Å
106L93.9Very high97Very high63 Ų6327 Ų2733%0.3312%0.123SC..SBendtrans64.9142.3175.8-177.169.5000115.2F31 L35 I111 R114F31-L106 PolarHBondContact O-N 2.98Å; F31-L106 VanDerWaalsContact O-N 3.14Å; L35-L106 HydrophobicContact CB-CD1 3.4Å; L35-L106 VanDerWaalsContact CB-CD1 3.4Å; L35-L106 HydrophobicContact CD1-CD1 3.47Å; L35-L106 VanDerWaalsContact CD1-CD1 3.47Å; L35-L106 HydrophobicContact CG-CD1 4.07Å; L106-I111 WeakPolarHBondContact O-CD1 3.29Å; L106-R114 PolarHBondContact O-NH1 3.16Å; L106-R114 PolarHBondContact O-NH2 2.92Å
107G92.9Very high97Very high0 Ų022.7 Ų22.70%011%0.107CC..SBendtrans70.5-148.9167.900000114.5L35 F37L35-G107 WeakPolarHBondContact O-CA 3.34Å; L35-G107 PolarHBondContact O-N 2.9Å; F37-G107 CarbonylContact O-C 3.54Å; F37-G107 WeakPolarHBondContact O-CA 3.44Å
108T96.6Very high97.1Very high4 Ų421 Ų213%0.02510%0.096CC..  trans-137.3170.9-16871.20000111.6R36 F37 L43 A110 I111 R114 D132R36-T108 HydrophobicContact CB-CG2 4.3Å; F37-T108 PolarHBondContact O-N 3.24Å; F37-T108 PolarHBondContact O-OG1 3.14Å; L43-T108 HydrophobicContact CD1-CG2 4.04Å; T108-A110 PolarHBondContact O-N 2.73Å; T108-A110 PolarHBondContact OG1-N 3.03Å; T108-I111 WeakPolarHBondContact O-CG1 3.37Å; T108-I111 PolarHBondContact O-N 3.38Å; T108-I111 VanDerWaalsContact O-N 3.09Å; T108-R114 VanDerWaalsContact C-NH1 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3.31Å; T108-R114 PolarHBondContact O-NH1 3.26Å; T108-D132 WeakPolarHBondContact CA-OD1 3.16Å
109R96.9Very high97Very high4 Ų426.1 Ų26.12%0.01512%0.119CC..THydrogen-bonded Turntrans-56.4-16.4171.763.4-165.6177.1-102.96.4114.1L43 N55 G67 W69 D132 D138L43-R109 HydrophobicContact CD2-CG 4.15Å; N55-R109 PolarHBondContact OD1-NH2 2.69Å; G67-R109 PolarHBondContact O-NH1 3.39Å; W69-R109 HydrophobicContact CD2-CG 3.74Å; W69-R109 HydrophobicContact CE3-CB 4.34Å; W69-R109 HydrophobicContact CE3-CG 3.82Å; W69-R109 HydrophobicContact CG-CG 4.3Å; W69-R109 HydrophobicContact CH2-CG 4.21Å; W69-R109 HydrophobicContact CZ2-CG 4.14Å; W69-R109 HydrophobicContact CZ3-CG 4.05Å; R109-D132 WeakPolarHBondContact CD-OD2 3.42Å; R109-D132 VanDerWaalsContact CG-OD2 3.29Å; R109-D132 WeakPolarHBondContact CG-OD2 3.4Å; R109-D132 IonicContact CZ-OD2 3.55Å; R109-D132 PolarHBondContact N-OD1 3.3Å; R109-D132 PolarHBondContact N-OD2 3.45Å; R109-D132 IonicContact NE-OD2 3.36Å; R109-D132 VanDerWaalsContact NH1-CG 3.35Å; R109-D132 IonicContact NH1-OD2 3.25Å; R109-D132 PolarHBondContact NH1-OD2 2.66Å; R109-D138 IonicContact CZ-OD1 3.41Å; R109-D138 VanDerWaalsContact CZ-OD1 3.26Å; R109-D138 IonicContact NH1-OD1 3.19Å; R109-D138 PolarHBondContact NH1-OD1 3.4Å; R109-D138 IonicContact NH2-OD1 3.9Å; R109-D138 PolarHBondContact NH2-OD1 3.39Å; R109-D138 IonicContact NH2-OD2 2.66Å; R109-D138 PolarHBondContact NH2-OD2 3.01Å; R109-D138 VanDerWaalsContact NH2-OD2 3.16Å
110A97.5Very high96.9Very high6 Ų627.5 Ų27.55%0.0513%0.126CC..THydrogen-bonded Turntrans-85.62.4176.700000115.5P38 V41 L43 V49 W69 T108 R112P38-A110 HydrophobicContact CG-CB 3.96Å; V41-A110 HydrophobicContact CB-CB 4.23Å; V41-A110 HydrophobicContact CG1-CB 3.76Å; V41-A110 HydrophobicContact CG2-CB 4.49Å; L43-A110 HydrophobicContact CD2-CB 3.64Å; V49-A110 HydrophobicContact CG2-CB 4.4Å; W69-A110 HydrophobicContact CH2-CB 3.7Å; W69-A110 HydrophobicContact CZ3-CB 4.32Å; T108-A110 PolarHBondContact O-N 2.73Å; T108-A110 PolarHBondContact OG1-N 3.03Å; A110-R112 PolarHBondContact O-N 3.03Å
111I96.4Very high96.9Very high13 Ų1327.5 Ų27.57%0.06713%0.126CC..  trans-61.2135.9176.5-67173.7000110.1F37 L106 T108 H113 R114 V115F37-I111 HydrophobicContact CD1-CD1 4.36Å; F37-I111 HydrophobicContact CD1-CG1 4.04Å; F37-I111 WeakPolarHBondContact O-CG1 3.24Å; L106-I111 WeakPolarHBondContact O-CD1 3.29Å; T108-I111 WeakPolarHBondContact O-CG1 3.37Å; T108-I111 PolarHBondContact O-N 3.38Å; T108-I111 VanDerWaalsContact O-N 3.09Å; I111-H113 WeakPolarHBondContact CG2-CE1 3.28Å; I111-H113 VanDerWaalsContact CG2-ND1 3.32Å; I111-H113 WeakPolarHBondContact CG2-ND1 3.46Å; I111-H113 PolarHBondContact O-N 2.74Å; I111-R114 HydrophobicContact CB-CG 4.03Å; I111-R114 HydrophobicContact CG2-CG 4.49Å; I111-R114 WeakPolarHBondContact O-CA 3.36Å; I111-R114 VanDerWaalsContact O-CB 3.25Å; I111-R114 WeakPolarHBondContact O-CB 3.33Å; I111-R114 PolarHBondContact O-N 3.1Å; I111-V115 PolarHBondContact O-N 3.48Å
112R95.7Very high96.8Very high190 Ų19027.8 Ų27.872%0.71713%0.128SC*.Hα-helixtrans-46.7-52.9-172.7-179.6178.3169.7-175.1-4.3114.5A110 R114 V115 E116A110-R112 PolarHBondContact O-N 3.03Å; R112-R114 VanDerWaalsContact C-N 3.25Å; R112-R114 PolarHBondContact O-N 3.44Å; R112-V115 PolarHBondContact O-N 2.81Å; R112-E116 HydrophobicContact CG-CG 4.46Å; R112-E116 WeakPolarHBondContact CG-OE1 3.34Å; R112-E116 IonicContact CZ-OE1 3.7Å; R112-E116 IonicContact NE-OE1 3.98Å; R112-E116 PolarHBondContact NE-OE1 3.34Å; R112-E116 IonicContact NH2-OE1 3.85Å; R112-E116 PolarHBondContact NH2-OE1 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.38Å; R112-E116 PolarHBondContact O-N 2.88Å
113H95.8Very high96.7Very high26 Ų2630.8 Ų30.812%0.1215%0.153CC..Hα-helixtrans-64.8-30.8-177.965.4-98.5000112.9I111 E116 L117 H173 S303I111-H113 WeakPolarHBondContact CG2-CE1 3.28Å; I111-H113 VanDerWaalsContact CG2-ND1 3.32Å; I111-H113 WeakPolarHBondContact CG2-ND1 3.46Å; I111-H113 PolarHBondContact O-N 2.74Å; H113-E116 PolarHBondContact O-N 2.85Å; H113-L117 PolarHBondContact O-N 3.06Å; H113-H173 AromaticContact NE2-CE1 3.93Å; H113-S303 WeakPolarHBondContact CB-O 3.35Å; H113-S303 PolarHBondContact CD2-O 2.93Å; H113-S303 VanDerWaalsContact CG-O 3.3Å
114R97.3Very high96.6Very high5 Ų532 Ų322%0.01916%0.163CC..Hα-helixtrans-67.6-47.1175.1-54-177.8-177.9171-6.6110Y101 H103 G104 N105 L106 T108 I111 R112 E116 L117 V118Y101-R114 HydrophobicContact CE1-CB 3.85Å; Y101-R114 HydrophobicContact CE1-CG 4.06Å; H103-R114 PolarHBondContact ND1-NH1 3.1Å; H103-R114 VanDerWaalsContact ND1-NH1 3.19Å; G104-R114 PolarHBondContact O-NH2 2.91Å; N105-R114 PolarHBondContact O-NH2 2.7Å; L106-R114 PolarHBondContact O-NH1 3.16Å; L106-R114 PolarHBondContact O-NH2 2.92Å; T108-R114 VanDerWaalsContact C-NH1 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3.31Å; T108-R114 PolarHBondContact O-NH1 3.26Å; I111-R114 HydrophobicContact CB-CG 4.03Å; I111-R114 HydrophobicContact CG2-CG 4.49Å; I111-R114 WeakPolarHBondContact O-CA 3.36Å; I111-R114 VanDerWaalsContact O-CB 3.25Å; I111-R114 WeakPolarHBondContact O-CB 3.33Å; I111-R114 PolarHBondContact O-N 3.1Å; R112-R114 VanDerWaalsContact C-N 3.25Å; R112-R114 PolarHBondContact O-N 3.44Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.28Å; R114-L117 PolarHBondContact O-N 2.81Å; R114-V118 VanDerWaalsContact O-CG2 3.29Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 3.38Å
115V97.6Very high96.5Very high9 Ų932.8 Ų32.86%0.05517%0.171CC..Hα-helixtrans-61.3-40.2175.2173.50000111.4L50 I111 R112 V118 K119L50-V115 HydrophobicContact CB-CG1 4.18Å; L50-V115 HydrophobicContact CD1-CG1 3.96Å; I111-V115 PolarHBondContact O-N 3.48Å; R112-V115 PolarHBondContact O-N 2.81Å; V115-V118 PolarHBondContact O-N 3.02Å; V115-K119 HydrophobicContact CG1-CD 4.4Å; V115-K119 WeakPolarHBondContact O-CG 3.48Å; V115-K119 PolarHBondContact O-N 3.4Å
116E97.1Very high96.7Very high47 Ų4731.9 Ų31.922%0.2216%0.163CC..Hα-helixtrans-62-45.1175.5-74.7168173.400111.8R112 H113 R114 K119 I120R112-E116 HydrophobicContact CG-CG 4.46Å; R112-E116 WeakPolarHBondContact CG-OE1 3.34Å; R112-E116 IonicContact CZ-OE1 3.7Å; R112-E116 IonicContact NE-OE1 3.98Å; R112-E116 PolarHBondContact NE-OE1 3.34Å; R112-E116 IonicContact NH2-OE1 3.85Å; R112-E116 PolarHBondContact NH2-OE1 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.38Å; R112-E116 PolarHBondContact O-N 2.88Å; H113-E116 PolarHBondContact O-N 2.85Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.28Å; E116-K119 WeakPolarHBondContact O-CB 3.46Å; E116-K119 PolarHBondContact O-N 3.31Å; E116-I120 WeakPolarHBondContact O-CG1 3.32Å; E116-I120 PolarHBondContact O-N 3.31Å
117L98.1Very high96.9Very high1 Ų128.9 Ų28.91%0.00515%0.148CC..Hα-helixtrans-59.7-48.1173.8178.164.4000111.6Y101 H113 R114 K119 I120 L121 W171 L311Y101-L117 HydrophobicContact CD2-CD2 3.77Å; Y101-L117 HydrophobicContact CE2-CD2 3.31Å; H113-L117 PolarHBondContact O-N 3.06Å; R114-L117 PolarHBondContact O-N 2.81Å; L117-K119 PolarHBondContact O-N 2.88Å; L117-I120 WeakPolarHBondContact O-CB 3.34Å; L117-I120 PolarHBondContact O-N 3.25Å; L117-L121 HydrophobicContact CD1-CD1 4.39Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CG-CD1 4.14Å; L117-L121 HydrophobicContact CG-CG 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.22Å; L117-L121 PolarHBondContact O-N 3.08Å; L117-W171 HydrophobicContact CD1-CH2 4.13Å; L117-W171 HydrophobicContact CD1-CZ2 3.78Å; L117-W171 HydrophobicContact CD2-CZ2 4.2Å; L117-L311 HydrophobicContact CD1-CD2 3.97Å
118V98.1Very high97.1Very high3 Ų328.9 Ų28.92%0.01815%0.148CC..Hα-helixtrans-60.2-36.4-179.9176.10000111.6L50 T71 Y101 R114 V115 L121 S122 V128 S130L50-V118 HydrophobicContact CD1-CG1 4.43Å; L50-V118 HydrophobicContact CD2-CB 4.23Å; L50-V118 HydrophobicContact CD2-CG1 3.63Å; T71-V118 HydrophobicContact CG2-CG1 3.92Å; T71-V118 WeakPolarHBondContact OG1-CG1 3.17Å; Y101-V118 HydrophobicContact CD1-CG2 4.5Å; R114-V118 VanDerWaalsContact O-CG2 3.29Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 3.38Å; V115-V118 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 3.34Å; V118-S122 VanDerWaalsContact O-CB 3.3Å; V118-S122 WeakPolarHBondContact O-CB 3.45Å; V118-S122 PolarHBondContact O-N 2.84Å; V118-V128 HydrophobicContact CB-CG1 4.47Å; V118-V128 HydrophobicContact CG1-CB 4Å; V118-V128 HydrophobicContact CG1-CG1 3.97Å; V118-V128 HydrophobicContact CG1-CG2 4.33Å; V118-V128 HydrophobicContact CG2-CG1 4.03Å; V118-S130 WeakPolarHBondContact CG2-OG 3.39Å
119K97Very high97.2Very high107 Ų10728.7 Ų28.747%0.46515%0.147SC..Hα-helixtrans-62.7-42.2173.9-73.8172.7-179.1175.80112.3L50 V115 E116 L117 S122 A123L50-K119 HydrophobicContact CD1-CD 4.3Å; L50-K119 HydrophobicContact CD1-CG 3.52Å; V115-K119 HydrophobicContact CG1-CD 4.4Å; V115-K119 WeakPolarHBondContact O-CG 3.48Å; V115-K119 PolarHBondContact O-N 3.4Å; E116-K119 WeakPolarHBondContact O-CB 3.46Å; E116-K119 PolarHBondContact O-N 3.31Å; L117-K119 PolarHBondContact O-N 2.88Å; K119-S122 PolarHBondContact O-N 3.16Å; K119-A123 VanDerWaalsContact O-CB 3.28Å; K119-A123 WeakPolarHBondContact O-CB 3.47Å; K119-A123 PolarHBondContact O-N 2.84Å
120I97.2Very high97.3Very high38 Ų3828.6 Ų28.620%0.19515%0.147CC..Hα-helixtrans-63.3-45.9177.8-68166.5000110.2E116 L117 A123 A124 S306 L311 A312 V315E116-I120 WeakPolarHBondContact O-CG1 3.32Å; E116-I120 PolarHBondContact O-N 3.31Å; L117-I120 WeakPolarHBondContact O-CB 3.34Å; L117-I120 PolarHBondContact O-N 3.25Å; I120-A123 PolarHBondContact O-N 3.24Å; I120-A124 WeakPolarHBondContact O-CB 3.31Å; I120-A124 PolarHBondContact O-N 3.48Å; I120-S306 WeakPolarHBondContact CD1-O 3.46Å; I120-L311 HydrophobicContact CD1-CD2 4.15Å; I120-A312 HydrophobicContact CG2-CB 4.31Å; I120-V315 HydrophobicContact CG2-CG2 4.13Å
121L97.9Very high97.4Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-65.5-43.5178.6-62.3178.7000112.1I99 L117 V118 A123 A124 G125 Y126 V128 W171 V315I99-L121 HydrophobicContact CB-CD1 4.46Å; I99-L121 HydrophobicContact CD1-CB 4.31Å; I99-L121 HydrophobicContact CD1-CD1 3.89Å; I99-L121 HydrophobicContact CD1-CD2 3.66Å; I99-L121 HydrophobicContact CD1-CG 4.15Å; I99-L121 HydrophobicContact CG2-CD1 4.01Å; L117-L121 HydrophobicContact CD1-CD1 4.39Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CG-CD1 4.14Å; L117-L121 HydrophobicContact CG-CG 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.22Å; L117-L121 PolarHBondContact O-N 3.08Å; V118-L121 PolarHBondContact O-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 2.83Å; L121-G125 PolarHBondContact O-N 3.35Å; L121-Y126 HydrophobicContact CB-CD2 4.34Å; L121-Y126 HydrophobicContact CD2-CD2 4.39Å; L121-Y126 WeakPolarHBondContact O-CB 3.37Å; L121-Y126 VanDerWaalsContact O-CD2 3.26Å; L121-Y126 WeakPolarHBondContact O-CD2 3.32Å; L121-Y126 PolarHBondContact O-N 3.33Å; L121-Y126 VanDerWaalsContact O-N 3.12Å; L121-V128 HydrophobicContact CB-CG2 3.59Å; L121-V128 HydrophobicContact CD1-CG1 4.36Å; L121-V128 HydrophobicContact CD1-CG2 4.34Å; L121-W171 HydrophobicContact CD2-CE3 4.39Å; L121-W171 HydrophobicContact CD2-CZ3 4.04Å; L121-V315 HydrophobicContact CD2-CB 4.05Å; L121-V315 HydrophobicContact CD2-CG1 4.06Å; L121-V315 HydrophobicContact CD2-CG2 4.13Å
122S97.3Very high97.5Very high8 Ų827.8 Ų27.86%0.05614%0.142CC..Hα-helixtrans-58.8-42.3173170.90000111.7L72 P73 V74 V118 K119 A124 G125L72-S122 WeakPolarHBondContact O-CB 3.45Å; L72-S122 PolarHBondContact O-OG 3.23Å; P73-S122 WeakPolarHBondContact CA-O 3.36Å; V74-S122 PolarHBondContact N-O 2.9Å; V74-S122 PolarHBondContact N-OG 3.04Å; V118-S122 VanDerWaalsContact O-CB 3.3Å; V118-S122 WeakPolarHBondContact O-CB 3.45Å; V118-S122 PolarHBondContact O-N 2.84Å; K119-S122 PolarHBondContact O-N 3.16Å; S122-A124 VanDerWaalsContact C-N 3.32Å; S122-A124 PolarHBondContact O-N 2.91Å; S122-G125 PolarHBondContact O-N 2.97Å; S122-G125 VanDerWaalsContact O-N 3.1Å
123A96.1Very high97.6Very high63 Ų6318.7 Ų18.752%0.52111%0.107SC..Hα-helixtrans-68.1-29.817700000113.3K119 I120 L121 G125K119-A123 VanDerWaalsContact O-CB 3.28Å; K119-A123 WeakPolarHBondContact O-CB 3.47Å; K119-A123 PolarHBondContact O-N 2.84Å; I120-A123 PolarHBondContact O-N 3.24Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.08Å; A123-G125 PolarHBondContact O-N 3.23Å
124A96.3Very high97.7Very high26 Ų2618.3 Ų18.322%0.21511%0.105CC..THydrogen-bonded Turntrans-75.9-4.4172.700000113.4I120 L121 S122 Y126 V315 R316I120-A124 WeakPolarHBondContact O-CB 3.31Å; I120-A124 PolarHBondContact O-N 3.48Å; L121-A124 PolarHBondContact O-N 2.83Å; S122-A124 VanDerWaalsContact C-N 3.32Å; S122-A124 PolarHBondContact O-N 2.91Å; A124-Y126 HydrophobicContact CB-CD2 3.75Å; A124-Y126 HydrophobicContact CB-CE2 3.55Å; A124-V315 HydrophobicContact CB-CG2 3.99Å; A124-R316 HydrophobicContact CB-CG 4.29Å
125G96.3Very high97.7Very high19 Ų1918.5 Ų18.520%0.19611%0.108CC..THydrogen-bonded Turntrans98.813.117300000114.6P73 R96 L121 S122 A123P73-G125 WeakPolarHBondContact CG-O 3.12Å; R96-G125 WeakPolarHBondContact CD-O 3.48Å; L121-G125 PolarHBondContact O-N 3.35Å; S122-G125 PolarHBondContact O-N 2.97Å; S122-G125 VanDerWaalsContact O-N 3.1Å; A123-G125 PolarHBondContact O-N 3.23Å
126Y97.9Very high97.7Very high37 Ų3718 Ų1815%0.14511%0.105CC..  trans-88.5145.8179.3-60-68.9000112.7P97 I99 L121 A124 V315P97-Y126 HydrophobicContact CB-CD1 3.68Å; P97-Y126 HydrophobicContact CB-CE1 3.71Å; P97-Y126 HydrophobicContact CG-CD1 4.09Å; P97-Y126 HydrophobicContact CG-CE1 3.8Å; I99-Y126 HydrophobicContact CD1-CD1 3.95Å; I99-Y126 HydrophobicContact CD1-CD2 3.68Å; I99-Y126 HydrophobicContact CD1-CE1 4.45Å; I99-Y126 HydrophobicContact CD1-CE2 4.24Å; I99-Y126 HydrophobicContact CD1-CG 3.55Å; I99-Y126 HydrophobicContact CG1-CD1 4.16Å; I99-Y126 HydrophobicContact CG1-CG 4.08Å; L121-Y126 HydrophobicContact CB-CD2 4.34Å; L121-Y126 HydrophobicContact CD2-CD2 4.39Å; L121-Y126 WeakPolarHBondContact O-CB 3.37Å; L121-Y126 VanDerWaalsContact O-CD2 3.26Å; L121-Y126 WeakPolarHBondContact O-CD2 3.32Å; L121-Y126 PolarHBondContact O-N 3.33Å; L121-Y126 VanDerWaalsContact O-N 3.12Å; A124-Y126 HydrophobicContact CB-CD2 3.75Å; A124-Y126 HydrophobicContact CB-CE2 3.55Å; Y126-V315 WeakPolarHBondContact CE2-O 3.4Å; Y126-V315 VanDerWaalsContact CZ-O 3.26Å; Y126-V315 PolarHBondContact OH-O 3.26Å
127H98.3Very high97.6Very high0 Ų015.9 Ų15.90%010%0.096CC..EExtended strand (participates in β ladder)trans-74.3136.1154-69.4-81.7000108.4H70 P73 Q76 A91 L92 D94 P97 V98 I99H70-H127 AromaticContact CE1-ND1 3.65Å; H70-H127 AromaticContact NE2-CG 3.63Å; H70-H127 AromaticContact NE2-ND1 3Å; H70-H127 PolarHBondContact NE2-ND1 3.17Å; P73-H127 WeakPolarHBondContact CD-CE1 3.33Å; P73-H127 VanDerWaalsContact CD-ND1 3.29Å; P73-H127 WeakPolarHBondContact CD-ND1 3.39Å; Q76-H127 PolarHBondContact NE2-CE1 3.19Å; Q76-H127 PolarHBondContact NE2-NE2 2.8Å; A91-H127 PolarHBondContact O-CE1 3.13Å; A91-H127 PolarHBondContact O-NE2 2.94Å; A91-H127 VanDerWaalsContact O-NE2 3.17Å; L92-H127 HydrophobicContact CD2-CB 3.84Å; D94-H127 IonicContact OD1-CD2 3.03Å; D94-H127 IonicContact OD1-NE2 3.59Å; D94-H127 PolarHBondContact OD1-NE2 2.86Å; D94-H127 IonicContact OD2-NE2 3.27Å; D94-H127 PolarHBondContact OD2-NE2 2.82Å; P97-H127 PolarHBondContact O-N 2.81Å; V98-H127 CarbonylContact C-O 3.55Å; V98-H127 WeakPolarHBondContact CA-O 3.41Å; V98-H127 HydrophobicContact CB-CB 4.47Å; V98-H127 HydrophobicContact CG1-CB 4.32Å; V98-H127 HydrophobicContact CG2-CB 4.16Å; I99-H127 PolarHBondContact N-O 3.32Å
128V98.6Very high97.6Very high0 Ų018.1 Ų18.10%011%0.108CC..EExtended strand (participates in β ladder)trans-123.3121.1179.9-168.70000110H70 T71 I99 V118 L121H70-V128 WeakPolarHBondContact CA-O 3.38Å; T71-V128 PolarHBondContact N-O 2.86Å; T71-V128 PolarHBondContact O-N 2.97Å; I99-V128 CarbonylContact O-C 3.55Å; I99-V128 WeakPolarHBondContact O-CA 3.33Å; V118-V128 HydrophobicContact CB-CG1 4.47Å; V118-V128 HydrophobicContact CG1-CB 4Å; V118-V128 HydrophobicContact CG1-CG1 3.97Å; V118-V128 HydrophobicContact CG1-CG2 4.33Å; V118-V128 HydrophobicContact CG2-CG1 4.03Å; L121-V128 HydrophobicContact CB-CG2 3.59Å; L121-V128 HydrophobicContact CD1-CG1 4.36Å; L121-V128 HydrophobicContact CD1-CG2 4.34Å
129L98.9Very high97.6Very high0 Ų018.2 Ų18.20%011%0.109CC..EExtended strand (participates in β ladder)trans-103.2107.7174.4-61.7175.8000108.7F56 V68 W69 H70 V98 I99 I100 Y101 L155 W158 A159F56-L129 HydrophobicContact CZ-CD2 4.39Å; V68-L129 HydrophobicContact CG1-CB 4.37Å; V68-L129 HydrophobicContact CG1-CD2 4.41Å; W69-L129 CarbonylContact O-C 3.57Å; W69-L129 VanDerWaalsContact O-CA 3.27Å; W69-L129 WeakPolarHBondContact O-CA 3.35Å; H70-L129 HydrophobicContact CB-CD2 3.66Å; V98-L129 HydrophobicContact CG1-CD1 3.76Å; V98-L129 HydrophobicContact CG1-CG 3.99Å; I99-L129 PolarHBondContact O-N 2.79Å; I100-L129 CarbonylContact C-O 3.25Å; I100-L129 WeakPolarHBondContact CA-O 3.33Å; I100-L129 HydrophobicContact CG1-CB 4.22Å; I100-L129 HydrophobicContact CG1-CD1 4.19Å; Y101-L129 PolarHBondContact N-O 3.42Å; L129-L155 HydrophobicContact CB-CD2 4.3Å; L129-L155 HydrophobicContact CD1-CD1 4.06Å; L129-W158 HydrophobicContact CD1-CE3 4.38Å; L129-W158 HydrophobicContact CD1-CZ3 4.06Å; L129-W158 HydrophobicContact CD2-CZ3 4.31Å; L129-A159 HydrophobicContact CD1-CB 3.59Å
130S98.7Very high97.6Very high3 Ų315.3 Ų15.32%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-102.4116.7178.8-52.20000110.4V68 W69 V118V68-S130 WeakPolarHBondContact CA-O 3.47Å; W69-S130 PolarHBondContact N-O 3.41Å; W69-S130 PolarHBondContact O-N 3.12Å; V118-S130 WeakPolarHBondContact CG2-OG 3.39Å
131L98.3Very high97.6Very high1 Ų115.4 Ų15.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-98.6131.8-176.917565.8000110.5V66 V68 Y101 L102 H103 Y133 D151 L155V66-L131 HydrophobicContact CB-CD1 3.8Å; V66-L131 HydrophobicContact CG2-CD1 3.68Å; V68-L131 HydrophobicContact CG2-CD1 3.84Å; Y101-L131 PolarHBondContact O-N 3.01Å; L102-L131 HydrophobicContact CD2-CD2 4.02Å; H103-L131 PolarHBondContact CD2-O 3.43Å; H103-L131 PolarHBondContact NE2-O 3.4Å; L131-Y133 HydrophobicContact CD2-CD1 3.93Å; L131-Y133 HydrophobicContact CD2-CE1 4.26Å; L131-Y133 HydrophobicContact CG-CD1 4.33Å; L131-D151 HydrophobicContact CD2-CB 4.03Å; L131-L155 HydrophobicContact CB-CD2 3.81Å; L131-L155 HydrophobicContact CD1-CD2 4.43Å; L131-L155 HydrophobicContact CD2-CD2 4.29Å; L131-L155 HydrophobicContact CG-CD2 4.4Å
132D98.4Very high97.5Very high0 Ų020.9 Ų20.90%014%0.137CC..PPolyproline II helixtrans-91.7121.9152.6-77.2-40.8000108.5L43 G67 H103 T108 R109 F136 S139L43-D132 WeakPolarHBondContact CD1-OD2 3.43Å; G67-D132 PolarHBondContact O-N 2.65Å; H103-D132 IonicContact CD2-OD1 3.43Å; H103-D132 IonicContact CE1-OD1 2.97Å; H103-D132 IonicContact NE2-OD1 2.72Å; H103-D132 PolarHBondContact NE2-OD1 3.02Å; T108-D132 WeakPolarHBondContact CA-OD1 3.16Å; R109-D132 WeakPolarHBondContact CD-OD2 3.42Å; R109-D132 VanDerWaalsContact CG-OD2 3.29Å; R109-D132 WeakPolarHBondContact CG-OD2 3.4Å; R109-D132 IonicContact CZ-OD2 3.55Å; R109-D132 PolarHBondContact N-OD1 3.3Å; R109-D132 PolarHBondContact N-OD2 3.45Å; R109-D132 IonicContact NE-OD2 3.36Å; R109-D132 VanDerWaalsContact NH1-CG 3.35Å; R109-D132 IonicContact NH1-OD2 3.25Å; R109-D132 PolarHBondContact NH1-OD2 2.66Å; D132-F136 HydrophobicContact CB-CB 4.13Å; D132-S139 PolarHBondContact O-OG 3.44Å
133Y98Very high97.5Very high0 Ų021 Ų210%014%0.138CC..PPolyproline II helixtrans-61164.6179.3-42-73.3000112.5L102 H103 L131 G135 F136 S139 L148 G176 V179L102-Y133 WeakPolarHBondContact CA-OH 3.21Å; L102-Y133 HydrophobicContact CB-CE1 4.4Å; L102-Y133 WeakPolarHBondContact CB-OH 3.33Å; L102-Y133 HydrophobicContact CD2-CE1 4.04Å; H103-Y133 AromaticContact CE1-CD2 3.6Å; H103-Y133 AromaticContact CE1-CE2 3.41Å; H103-Y133 VanDerWaalsContact CE1-CE2 3.41Å; H103-Y133 WeakPolarHBondContact CE1-CE2 3.1Å; H103-Y133 PolarHBondContact N-OH 3.17Å; H103-Y133 AromaticContact ND1-CE2 3.66Å; H103-Y133 AromaticContact NE2-CD2 3.78Å; H103-Y133 AromaticContact NE2-CE2 3.72Å; H103-Y133 WeakPolarHBondContact O-CE2 3.46Å; H103-Y133 PolarHBondContact O-OH 3.39Å; L131-Y133 HydrophobicContact CD2-CD1 3.93Å; L131-Y133 HydrophobicContact CD2-CE1 4.26Å; L131-Y133 HydrophobicContact CG-CD1 4.33Å; Y133-G135 PolarHBondContact O-N 3.41Å; Y133-F136 AromaticContact CD2-CD2 3.91Å; Y133-F136 HydrophobicContact CD2-CD2 3.91Å; Y133-F136 HydrophobicContact CD2-CE2 4.04Å; Y133-F136 HydrophobicContact CD2-CG 4.17Å; Y133-F136 HydrophobicContact CD2-CZ 4.42Å; Y133-F136 HydrophobicContact CG-CD2 4.39Å; Y133-F136 WeakPolarHBondContact O-CB 3.27Å; Y133-F136 PolarHBondContact O-N 3.48Å; Y133-S139 WeakPolarHBondContact O-CB 3.38Å; Y133-S139 PolarHBondContact O-OG 2.92Å; Y133-L148 HydrophobicContact CD1-CB 4.36Å; Y133-L148 HydrophobicContact CD1-CD2 4.47Å; Y133-L148 HydrophobicContact CD1-CG 3.88Å; Y133-L148 HydrophobicContact CD2-CD2 4.09Å; Y133-L148 HydrophobicContact CD2-CG 4.15Å; Y133-L148 HydrophobicContact CE2-CD2 4.48Å; Y133-L148 HydrophobicContact CG-CD1 4.31Å; Y133-L148 HydrophobicContact CG-CD2 4.08Å; Y133-L148 HydrophobicContact CG-CG 3.62Å; Y133-G176 WeakPolarHBondContact OH-CA 3.22Å; Y133-V179 HydrophobicContact CE1-CB 4.38Å; Y133-V179 HydrophobicContact CE1-CG1 3.97Å; Y133-V179 HydrophobicContact CE1-CG2 4.16Å
134R98.2Very high97.6Very high18 Ų1820.5 Ų20.57%0.06813%0.131CC..THydrogen-bonded Turntrans-49.2132.2169.268.7-178.370.5-167.5-4.6111.3E61 V64 V66 F136 S140 E142 G147 L148 N150 D151E61-R134 IonicContact OE2-CZ 2.67Å; E61-R134 IonicContact OE2-NH1 3.51Å; E61-R134 PolarHBondContact OE2-NH1 3.28Å; E61-R134 IonicContact OE2-NH2 3.4Å; E61-R134 PolarHBondContact OE2-NH2 3.44Å; V64-R134 HydrophobicContact CG1-CB 3.85Å; V66-R134 HydrophobicContact CG1-CB 4.32Å; R134-F136 VanDerWaalsContact C-N 3.28Å; R134-F136 PolarHBondContact O-N 3.06Å; R134-S140 CarbonylContact C-O 3.51Å; R134-S140 WeakPolarHBondContact CA-O 3.44Å; R134-S140 WeakPolarHBondContact CB-O 3.46Å; R134-E142 WeakPolarHBondContact CD-O 3.42Å; R134-G147 VanDerWaalsContact CZ-CA 3.4Å; R134-G147 VanDerWaalsContact NE-CA 3.35Å; R134-G147 PolarHBondContact NE-O 2.9Å; R134-G147 PolarHBondContact NH2-O 3.36Å; R134-L148 HydrophobicContact CG-CD1 4.21Å; R134-N150 PolarHBondContact NH2-ND2 3.32Å; R134-D151 WeakPolarHBondContact CB-OD2 3.41Å; R134-D151 VanDerWaalsContact CG-OD2 3.27Å; R134-D151 WeakPolarHBondContact CG-OD2 3.26Å; R134-D151 IonicContact CZ-OD1 3.87Å; R134-D151 VanDerWaalsContact CZ-OD1 3.25Å; R134-D151 PolarHBondContact N-OD2 2.86Å; R134-D151 IonicContact NE-OD1 2.82Å; R134-D151 PolarHBondContact NE-OD1 3.39Å; R134-D151 IonicContact NE-OD2 3.55Å; R134-D151 PolarHBondContact NE-OD2 2.88Å; R134-D151 IonicContact NH2-OD1 3.75Å; R134-D151 PolarHBondContact NH2-OD1 2.85Å
135G97.3Very high97.7Very high8 Ų820.5 Ų20.58%0.08213%0.126CC..THydrogen-bonded Turntrans79.1-9.5-174.800000116.6H33 Y133 S140 G141H33-G135 PolarHBondContact CD2-O 3.14Å; Y133-G135 PolarHBondContact O-N 3.41Å; G135-S140 PolarHBondContact N-O 2.87Å; G135-G141 WeakPolarHBondContact CA-O 3.37Å; G135-G141 PolarHBondContact N-O 2.72Å
136F97.8Very high97.8Very high0 Ų022.5 Ų22.50%014%0.141CC..SBendtrans-95.7153.6174.9-73.6-104.9000111.6F31 H33 H103 D132 Y133 R134 D138 S139 P143 L175F31-F136 HydrophobicContact CB-CE2 4.28Å; F31-F136 HydrophobicContact CB-CZ 3.94Å; F31-F136 HydrophobicContact CD1-CE2 4.42Å; F31-F136 HydrophobicContact CD1-CZ 4.36Å; F31-F136 WeakPolarHBondContact O-CE1 3.19Å; F31-F136 VanDerWaalsContact O-CZ 3.3Å; F31-F136 WeakPolarHBondContact O-CZ 3.44Å; H33-F136 HydrophobicContact CB-CD1 4.17Å; H33-F136 HydrophobicContact CB-CD2 3.9Å; H33-F136 HydrophobicContact CB-CE1 4.04Å; H33-F136 HydrophobicContact CB-CE2 3.78Å; H33-F136 HydrophobicContact CB-CG 4.12Å; H33-F136 HydrophobicContact CB-CZ 3.86Å; H103-F136 AromaticContact CE1-CD1 3.66Å; D132-F136 HydrophobicContact CB-CB 4.13Å; Y133-F136 AromaticContact CD2-CD2 3.91Å; Y133-F136 HydrophobicContact CD2-CD2 3.91Å; Y133-F136 HydrophobicContact CD2-CE2 4.04Å; Y133-F136 HydrophobicContact CD2-CG 4.17Å; Y133-F136 HydrophobicContact CD2-CZ 4.42Å; Y133-F136 HydrophobicContact CG-CD2 4.39Å; Y133-F136 WeakPolarHBondContact O-CB 3.27Å; Y133-F136 PolarHBondContact O-N 3.48Å; R134-F136 VanDerWaalsContact C-N 3.28Å; R134-F136 PolarHBondContact O-N 3.06Å; F136-D138 PolarHBondContact O-N 3.41Å; F136-D138 VanDerWaalsContact O-N 3.16Å; F136-S139 VanDerWaalsContact O-CB 3.24Å; F136-S139 WeakPolarHBondContact O-CB 3.33Å; F136-S139 PolarHBondContact O-N 2.93Å; F136-P143 HydrophobicContact CE2-CB 3.97Å; F136-L175 HydrophobicContact CZ-CD2 4.25Å
137G96.1Very high97.9Very high2 Ų220.9 Ų20.92%0.02114%0.135CC..THydrogen-bonded Turntrans51.9-121.1175.700000113.6R36R36-G137 WeakPolarHBondContact CD-O 3.29Å; R36-G137 PolarHBondContact NE-O 3.31Å; R36-G137 VanDerWaalsContact NE-O 3.1Å
138D96.6Very high97.9Very high48 Ų4820.9 Ų20.926%0.25714%0.135SC..THydrogen-bonded Turntrans-102.38.9176.965.2-17.4000113.5L43 Y57 R109 F136L43-D138 HydrophobicContact CB-CB 4.38Å; L43-D138 WeakPolarHBondContact CB-OD2 3.37Å; L43-D138 HydrophobicContact CD1-CB 4.04Å; Y57-D138 WeakPolarHBondContact CE1-OD2 3.46Å; Y57-D138 PolarHBondContact OH-OD2 2.95Å; R109-D138 IonicContact CZ-OD1 3.41Å; R109-D138 VanDerWaalsContact CZ-OD1 3.26Å; R109-D138 IonicContact NH1-OD1 3.19Å; R109-D138 PolarHBondContact NH1-OD1 3.4Å; R109-D138 IonicContact NH2-OD1 3.9Å; R109-D138 PolarHBondContact NH2-OD1 3.39Å; R109-D138 IonicContact NH2-OD2 2.66Å; R109-D138 PolarHBondContact NH2-OD2 3.01Å; R109-D138 VanDerWaalsContact NH2-OD2 3.16Å; F136-D138 PolarHBondContact O-N 3.41Å; F136-D138 VanDerWaalsContact O-N 3.16Å
139S98.1Very high97.9Very high5 Ų521.5 Ų21.54%0.03514%0.139CC..  trans-76.4147174-58.50000111.5S65 V66 G67 D132 Y133 F136S65-S139 CarbonylContact O-C 3.48Å; S65-S139 VanDerWaalsContact O-CA 3.28Å; S65-S139 WeakPolarHBondContact O-CA 3.26Å; S65-S139 WeakPolarHBondContact O-CB 3.45Å; V66-S139 WeakPolarHBondContact CA-OG 3.45Å; G67-S139 PolarHBondContact N-OG 3.3Å; D132-S139 PolarHBondContact O-OG 3.44Å; Y133-S139 WeakPolarHBondContact O-CB 3.38Å; Y133-S139 PolarHBondContact O-OG 2.92Å; F136-S139 VanDerWaalsContact O-CB 3.24Å; F136-S139 WeakPolarHBondContact O-CB 3.33Å; F136-S139 PolarHBondContact O-N 2.93Å
140S97.9Very high97.9Very high46 Ų4624.1 Ų24.132%0.32215%0.153SC..  trans-85.3176.6176.677.90000112.4G63 V64 S65 R134 G135G63-S140 PolarHBondContact O-OG 3.27Å; V64-S140 WeakPolarHBondContact CA-OG 3.27Å; S65-S140 PolarHBondContact N-OG 2.97Å; S65-S140 PolarHBondContact O-N 3.19Å; R134-S140 CarbonylContact C-O 3.51Å; R134-S140 WeakPolarHBondContact CA-O 3.44Å; R134-S140 WeakPolarHBondContact CB-O 3.46Å; G135-S140 PolarHBondContact N-O 2.87Å
141G96.4Very high97.9Very high39 Ų3924 Ų2440%0.40215%0.153SC..SBendtrans82.4-173.3176.700000114.2G135G135-G141 WeakPolarHBondContact CA-O 3.37Å; G135-G141 PolarHBondContact N-O 2.72Å
142E96.6Very high97.9Very high115 Ų11524 Ų2454%0.53715%0.152SC..  trans-120141.9178.3-71.8-65158.700110.4H33 R134H33-E142 IonicContact CD2-OE2 3.29Å; H33-E142 IonicContact CE1-OE2 3.67Å; H33-E142 IonicContact NE2-OE2 2.77Å; H33-E142 PolarHBondContact NE2-OE2 2.95Å; R134-E142 WeakPolarHBondContact CD-O 3.42Å
143P97.6Very high97.9Very high12 Ų1224.9 Ų24.98%0.07816%0.157CC..  trans-73.9138.3-177.131.8-35.2000111.3F31 H33 F136 L148F31-P143 HydrophobicContact CB-CB 4.29Å; F31-P143 HydrophobicContact CB-CG 3.95Å; F31-P143 HydrophobicContact CD1-CB 4.05Å; F31-P143 HydrophobicContact CD2-CB 3.78Å; F31-P143 HydrophobicContact CD2-CG 3.59Å; F31-P143 HydrophobicContact CE1-CB 4.35Å; F31-P143 HydrophobicContact CE2-CB 4.07Å; F31-P143 HydrophobicContact CE2-CG 4.23Å; F31-P143 HydrophobicContact CG-CB 3.78Å; F31-P143 HydrophobicContact CG-CG 3.78Å; F31-P143 HydrophobicContact CZ-CB 4.36Å; H33-P143 HydrophobicContact CB-CG 4.17Å; H33-P143 VanDerWaalsContact CD2-CD 3.46Å; H33-P143 WeakPolarHBondContact CD2-CD 3.39Å; H33-P143 VanDerWaalsContact NE2-CD 3.33Å; H33-P143 WeakPolarHBondContact NE2-CD 3.48Å; F136-P143 HydrophobicContact CE2-CB 3.97Å; P143-L148 HydrophobicContact CB-CD1 3.72Å
144S98.1Very high98Very high52 Ų5229.1 Ų29.136%0.36417%0.174SC..  trans-146.1159.1165.562.10000108A146 G147 L148S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 2.88Å; S144-G147 PolarHBondContact O-N 3.11Å; S144-G147 VanDerWaalsContact O-N 3.17Å; S144-G147 PolarHBondContact OG-N 3.01Å; S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 WeakPolarHBondContact O-CD1 3.4Å; S144-L148 PolarHBondContact O-N 3.26Å
145E98.4Very high98Very high25 Ų2528.3 Ų28.312%0.11717%0.171CC..Hα-helixtrans-57.3-45.1177.5172.6164.8172.300112.3G147 T149 N182 I238 S239 F240E145-G147 PolarHBondContact O-N 3.24Å; E145-T149 WeakPolarHBondContact O-CB 3.14Å; E145-T149 PolarHBondContact O-N 3.25Å; E145-T149 PolarHBondContact O-OG1 3.02Å; E145-N182 WeakPolarHBondContact CG-ND2 3.37Å; E145-N182 PolarHBondContact OE1-ND2 3.5Å; E145-I238 WeakPolarHBondContact OE2-CA 3.24Å; E145-S239 PolarHBondContact OE2-N 3.04Å; E145-F240 HydrophobicContact CB-CD1 4.5Å; E145-F240 HydrophobicContact CB-CE1 3.94Å; E145-F240 HydrophobicContact CB-CE2 3.97Å; E145-F240 HydrophobicContact CB-CZ 3.65Å; E145-F240 HydrophobicContact CG-CD1 3.78Å; E145-F240 HydrophobicContact CG-CD2 4.48Å; E145-F240 HydrophobicContact CG-CE1 3.56Å; E145-F240 HydrophobicContact CG-CE2 4.27Å; E145-F240 HydrophobicContact CG-CG 4.26Å; E145-F240 HydrophobicContact CG-CZ 3.82Å; E145-F240 VanDerWaalsContact OE1-CA 3.32Å; E145-F240 WeakPolarHBondContact OE1-CA 3.31Å; E145-F240 PolarHBondContact OE1-N 2.94Å; E145-F240 PolarHBondContact OE2-N 3.4Å
146A98.4Very high98.1Very high61 Ų6128.1 Ų28.150%0.50417%0.168SC..Hα-helixtrans-63.1-41.9176.400000111.9S144 T149 N150S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 2.88Å; A146-T149 WeakPolarHBondContact O-CB 3.43Å; A146-T149 PolarHBondContact O-N 2.99Å; A146-N150 WeakPolarHBondContact O-CB 3.38Å; A146-N150 PolarHBondContact O-N 3.09Å
147G98.6Very high98.1Very high3 Ų331.6 Ų31.63%0.03118%0.184CC..Hα-helixtrans-64.2-48.9179.100000113R134 S144 E145 T149 N150 D151R134-G147 VanDerWaalsContact CZ-CA 3.4Å; R134-G147 VanDerWaalsContact NE-CA 3.35Å; R134-G147 PolarHBondContact NE-O 2.9Å; R134-G147 PolarHBondContact NH2-O 3.36Å; S144-G147 PolarHBondContact O-N 3.11Å; S144-G147 VanDerWaalsContact O-N 3.17Å; S144-G147 PolarHBondContact OG-N 3.01Å; E145-G147 PolarHBondContact O-N 3.24Å; G147-T149 VanDerWaalsContact C-N 3.28Å; G147-T149 PolarHBondContact O-N 3.26Å; G147-N150 PolarHBondContact O-N 2.96Å; G147-N150 VanDerWaalsContact O-N 3.14Å; G147-D151 PolarHBondContact O-N 3.29Å
148L98.8Very high98.2Very high0 Ų032.5 Ų32.50%019%0.187CC..Hα-helixtrans-59-41.9175.6-91.858.5000111.4F31 Y133 R134 P143 S144 D151 A152 L175 V179 F240F31-L148 HydrophobicContact CD1-CD2 4.17Å; F31-L148 HydrophobicContact CE1-CD2 3.84Å; Y133-L148 HydrophobicContact CD1-CB 4.36Å; Y133-L148 HydrophobicContact CD1-CD2 4.47Å; Y133-L148 HydrophobicContact CD1-CG 3.88Å; Y133-L148 HydrophobicContact CD2-CD2 4.09Å; Y133-L148 HydrophobicContact CD2-CG 4.15Å; Y133-L148 HydrophobicContact CE2-CD2 4.48Å; Y133-L148 HydrophobicContact CG-CD1 4.31Å; Y133-L148 HydrophobicContact CG-CD2 4.08Å; Y133-L148 HydrophobicContact CG-CG 3.62Å; R134-L148 HydrophobicContact CG-CD1 4.21Å; P143-L148 HydrophobicContact CB-CD1 3.72Å; S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 WeakPolarHBondContact O-CD1 3.4Å; S144-L148 PolarHBondContact O-N 3.26Å; L148-D151 PolarHBondContact O-N 3.43Å; L148-A152 PolarHBondContact O-N 3.21Å; L148-A152 VanDerWaalsContact O-N 3.14Å; L148-L175 HydrophobicContact CD2-CD2 4.15Å; L148-V179 HydrophobicContact CB-CG1 4.3Å; L148-V179 HydrophobicContact CB-CG2 3.91Å; L148-V179 HydrophobicContact CD2-CG2 3.97Å; L148-V179 HydrophobicContact CG-CG2 4.39Å; L148-V179 WeakPolarHBondContact O-CG1 3.47Å; L148-F240 HydrophobicContact CD2-CZ 4.21Å
149T98.8Very high98.3Very high13 Ų1330.2 Ų30.28%0.0817%0.174CC..Hα-helixtrans-60.4-44.8175.6-58.40000111.2E145 A146 G147 A152 L153 N182 K186E145-T149 WeakPolarHBondContact O-CB 3.14Å; E145-T149 PolarHBondContact O-N 3.25Å; E145-T149 PolarHBondContact O-OG1 3.02Å; A146-T149 WeakPolarHBondContact O-CB 3.43Å; A146-T149 PolarHBondContact O-N 2.99Å; G147-T149 VanDerWaalsContact C-N 3.28Å; G147-T149 PolarHBondContact O-N 3.26Å; T149-A152 PolarHBondContact O-N 2.95Å; T149-L153 WeakPolarHBondContact O-CB 3.43Å; T149-L153 PolarHBondContact O-N 2.82Å; T149-N182 HydrophobicContact CG2-CB 3.63Å; T149-N182 WeakPolarHBondContact OG1-CB 3.47Å; T149-N182 PolarHBondContact OG1-ND2 3.35Å; T149-K186 HydrophobicContact CG2-CG 4.23Å
150N98.8Very high98.2Very high56 Ų5633.2 Ų33.230%0.29919%0.187SC..Hα-helixtrans-65.5-39.7178.8-173.265.1000112.2P60 R134 A146 G147 A152 L153 Y154P60-N150 PolarHBondContact O-ND2 3.39Å; R134-N150 PolarHBondContact NH2-ND2 3.32Å; A146-N150 WeakPolarHBondContact O-CB 3.38Å; A146-N150 PolarHBondContact O-N 3.09Å; G147-N150 PolarHBondContact O-N 2.96Å; G147-N150 VanDerWaalsContact O-N 3.14Å; N150-A152 PolarHBondContact O-N 2.9Å; N150-L153 PolarHBondContact O-N 2.9Å; N150-Y154 VanDerWaalsContact O-CB 3.29Å; N150-Y154 WeakPolarHBondContact O-CB 3.3Å; N150-Y154 PolarHBondContact O-N 2.84Å
151D98.9Very high98.1Very high1 Ų136.5 Ų36.51%0.00521%0.205CC..Hα-helixtrans-61.7-44.4177.7-58.2-18.9000111.2P60 V66 L131 R134 G147 L148 L155P60-D151 WeakPolarHBondContact CG-OD1 3.2Å; V66-D151 HydrophobicContact CG1-CB 4.34Å; L131-D151 HydrophobicContact CD2-CB 4.03Å; R134-D151 WeakPolarHBondContact CB-OD2 3.41Å; R134-D151 VanDerWaalsContact CG-OD2 3.27Å; R134-D151 WeakPolarHBondContact CG-OD2 3.26Å; R134-D151 IonicContact CZ-OD1 3.87Å; R134-D151 VanDerWaalsContact CZ-OD1 3.25Å; R134-D151 PolarHBondContact N-OD2 2.86Å; R134-D151 IonicContact NE-OD1 2.82Å; R134-D151 PolarHBondContact NE-OD1 3.39Å; R134-D151 IonicContact NE-OD2 3.55Å; R134-D151 PolarHBondContact NE-OD2 2.88Å; R134-D151 IonicContact NH2-OD1 3.75Å; R134-D151 PolarHBondContact NH2-OD1 2.85Å; G147-D151 PolarHBondContact O-N 3.29Å; L148-D151 PolarHBondContact O-N 3.43Å; D151-L155 PolarHBondContact O-N 2.9Å
152A98.8Very high98.1Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-67.8-42.3176.900000112.8L102 L148 T149 N150 Y154 L155 H156 V179 A183L102-A152 HydrophobicContact CD1-CB 4.02Å; L102-A152 HydrophobicContact CD2-CB 3.78Å; L148-A152 PolarHBondContact O-N 3.21Å; L148-A152 VanDerWaalsContact O-N 3.14Å; T149-A152 PolarHBondContact O-N 2.95Å; N150-A152 PolarHBondContact O-N 2.9Å; A152-Y154 VanDerWaalsContact C-N 3.35Å; A152-L155 PolarHBondContact O-N 3.22Å; A152-H156 WeakPolarHBondContact O-CB 3.24Å; A152-H156 PolarHBondContact O-N 3.29Å; A152-V179 HydrophobicContact CB-CG1 3.6Å; A152-A183 HydrophobicContact CB-CB 4.06Å
153L98.7Very high98Very high19 Ų1932.9 Ų32.910%0.09917%0.174CC..Hα-helixtrans-60.2-45.2175.6-179.364.4000111.3T149 N150 H156 H157 K186 I187T149-L153 WeakPolarHBondContact O-CB 3.43Å; T149-L153 PolarHBondContact O-N 2.82Å; N150-L153 PolarHBondContact O-N 2.9Å; L153-H156 PolarHBondContact O-N 2.94Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.36Å; L153-H157 PolarHBondContact O-CD2 3.16Å; L153-H157 VanDerWaalsContact O-CD2 3.24Å; L153-H157 PolarHBondContact O-N 3.09Å; L153-K186 HydrophobicContact CD1-CB 4.15Å; L153-K186 HydrophobicContact CD2-CB 4.03Å; L153-I187 HydrophobicContact CD1-CD1 4.12Å; L153-I187 HydrophobicContact CD1-CG1 3.44Å; L153-I187 VanDerWaalsContact CD1-CG1 3.44Å
154Y98.8Very high97.9Very high88 Ų8840.2 Ų40.235%0.34520%0.2SC..Hα-helixtrans-61.7-47.9177.9-174.7-83.3000111.5L58 P60 N150 A152 H156 H157 W158L58-Y154 HydrophobicContact CB-CD1 4.19Å; L58-Y154 HydrophobicContact CB-CE1 3.81Å; L58-Y154 HydrophobicContact CD1-CD1 4.03Å; L58-Y154 HydrophobicContact CD1-CE1 3.96Å; L58-Y154 HydrophobicContact CD2-CE1 4.27Å; L58-Y154 HydrophobicContact CG-CE1 4.24Å; P60-Y154 HydrophobicContact CB-CD1 4.26Å; P60-Y154 HydrophobicContact CB-CD2 4.02Å; P60-Y154 HydrophobicContact CB-CG 3.74Å; N150-Y154 VanDerWaalsContact O-CB 3.29Å; N150-Y154 WeakPolarHBondContact O-CB 3.3Å; N150-Y154 PolarHBondContact O-N 2.84Å; A152-Y154 VanDerWaalsContact C-N 3.35Å; Y154-H156 VanDerWaalsContact C-N 3.29Å; Y154-H156 PolarHBondContact O-N 2.82Å; Y154-H157 PolarHBondContact O-N 3.38Å; Y154-W158 VanDerWaalsContact O-CB 3.31Å; Y154-W158 WeakPolarHBondContact O-CB 3.49Å; Y154-W158 PolarHBondContact O-N 2.87Å
155L98.8Very high97.6Very high1 Ų140.8 Ų40.81%0.00521%0.214CC..Hα-helixtrans-61.5-39177.3179.857.7000111.7L58 V68 I100 L129 L131 D151 A152 W158 A159L58-L155 HydrophobicContact CD1-CD1 3.69Å; V68-L155 HydrophobicContact CG1-CD1 4.08Å; V68-L155 HydrophobicContact CG1-CD2 4.28Å; V68-L155 HydrophobicContact CG2-CD1 4.27Å; V68-L155 HydrophobicContact CG2-CD2 4.42Å; I100-L155 HydrophobicContact CD1-CG 4.21Å; I100-L155 HydrophobicContact CG1-CG 4.42Å; I100-L155 HydrophobicContact CG2-CD2 3.69Å; I100-L155 HydrophobicContact CG2-CG 4.21Å; L129-L155 HydrophobicContact CB-CD2 4.3Å; L129-L155 HydrophobicContact CD1-CD1 4.06Å; L131-L155 HydrophobicContact CB-CD2 3.81Å; L131-L155 HydrophobicContact CD1-CD2 4.43Å; L131-L155 HydrophobicContact CD2-CD2 4.29Å; L131-L155 HydrophobicContact CG-CD2 4.4Å; D151-L155 PolarHBondContact O-N 2.9Å; A152-L155 PolarHBondContact O-N 3.22Å; L155-W158 HydrophobicContact CD1-CE3 4.04Å; L155-W158 PolarHBondContact O-N 2.84Å; L155-A159 VanDerWaalsContact O-CB 3.29Å; L155-A159 WeakPolarHBondContact O-CB 3.38Å; L155-A159 PolarHBondContact O-N 2.81Å
156H98.7Very high97.5Very high4 Ų440.1 Ų40.12%0.01921%0.213CC..Hα-helixtrans-60.5-50175178.1-85.6000112.1I100 A152 L153 Y154 W158 A159 K160 I187I100-H156 VanDerWaalsContact CD1-CA 3.45Å; I100-H156 HydrophobicContact CD1-CB 3.93Å; A152-H156 WeakPolarHBondContact O-CB 3.24Å; A152-H156 PolarHBondContact O-N 3.29Å; L153-H156 PolarHBondContact O-N 2.94Å; Y154-H156 VanDerWaalsContact C-N 3.29Å; Y154-H156 PolarHBondContact O-N 2.82Å; H156-W158 PolarHBondContact O-N 3.14Å; H156-A159 PolarHBondContact O-N 2.94Å; H156-K160 WeakPolarHBondContact O-CB 3.27Å; H156-K160 PolarHBondContact O-N 3.44Å; H156-I187 HydrophobicContact CB-CD1 4.16Å; H156-I187 WeakPolarHBondContact ND1-CD1 3.31Å
157H98.1Very high97.4Very high73 Ų7341.6 Ų41.634%0.33821%0.212SC..Hα-helixtrans-61.4-44.6176.1-68.7-46.7000112.1L153 Y154 A159 K160 T161 Q190L153-H157 WeakPolarHBondContact CD1-NE2 3.36Å; L153-H157 PolarHBondContact O-CD2 3.16Å; L153-H157 VanDerWaalsContact O-CD2 3.24Å; L153-H157 PolarHBondContact O-N 3.09Å; Y154-H157 PolarHBondContact O-N 3.38Å; H157-A159 VanDerWaalsContact C-N 3.28Å; H157-A159 PolarHBondContact O-N 3.34Å; H157-K160 PolarHBondContact O-N 2.75Å; H157-T161 PolarHBondContact O-N 3.41Å; H157-T161 PolarHBondContact O-OG1 3.14Å; H157-Q190 PolarHBondContact CE1-OE1 2.84Å; H157-Q190 PolarHBondContact NE2-OE1 3.34Å; H157-Q190 VanDerWaalsContact NE2-OE1 3.11Å
158W98.1Very high97.4Very high22 Ų2241.5 Ų41.58%0.08321%0.21CC..Hα-helixtrans-56.7-43177.5179.697.1000112F56 L58 Q89 L92 L129 Y154 L155 H156 R162F56-W158 HydrophobicContact CD2-CZ2 4.39Å; F56-W158 HydrophobicContact CE1-CH2 4.3Å; F56-W158 AromaticContact CE2-CH2 3.71Å; F56-W158 HydrophobicContact CE2-CH2 3.71Å; F56-W158 AromaticContact CE2-CZ2 3.65Å; F56-W158 HydrophobicContact CE2-CZ2 3.65Å; F56-W158 HydrophobicContact CE2-CZ3 4.19Å; F56-W158 AromaticContact CZ-CH2 3.47Å; F56-W158 HydrophobicContact CZ-CH2 3.47Å; F56-W158 VanDerWaalsContact CZ-CH2 3.47Å; F56-W158 AromaticContact CZ-CZ2 3.93Å; F56-W158 HydrophobicContact CZ-CZ2 3.93Å; F56-W158 AromaticContact CZ-CZ3 3.8Å; F56-W158 HydrophobicContact CZ-CZ3 3.8Å; L58-W158 HydrophobicContact CD1-CB 4.34Å; L58-W158 HydrophobicContact CD1-CD2 4.19Å; L58-W158 HydrophobicContact CD1-CG 4.01Å; L58-W158 HydrophobicContact CD2-CD2 4.38Å; L58-W158 HydrophobicContact CD2-CG 4.21Å; Q89-W158 HydrophobicContact CG-CH2 3.96Å; Q89-W158 HydrophobicContact CG-CZ2 3.78Å; L92-W158 HydrophobicContact CD1-CH2 3.82Å; L92-W158 HydrophobicContact CD1-CZ3 3.59Å; L129-W158 HydrophobicContact CD1-CE3 4.38Å; L129-W158 HydrophobicContact CD1-CZ3 4.06Å; L129-W158 HydrophobicContact CD2-CZ3 4.31Å; Y154-W158 VanDerWaalsContact O-CB 3.31Å; Y154-W158 WeakPolarHBondContact O-CB 3.49Å; Y154-W158 PolarHBondContact O-N 2.87Å; L155-W158 HydrophobicContact CD1-CE3 4.04Å; L155-W158 PolarHBondContact O-N 2.84Å; H156-W158 PolarHBondContact O-N 3.14Å; W158-R162 VanDerWaalsContact CD1-NH1 3.32Å; W158-R162 VanDerWaalsContact CE2-CZ 3.46Å; W158-R162 VanDerWaalsContact CE2-NE 3.34Å; W158-R162 VanDerWaalsContact CZ2-CD 3.49Å; W158-R162 VanDerWaalsContact CZ2-NE 3.35Å; W158-R162 PolarHBondContact O-NH1 3.45Å
159A98.1Very high97.4Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-70.9-45.817800000111.6I100 L129 L155 H156 H157 T161 R162 S163 V168I100-A159 HydrophobicContact CD1-CB 4.2Å; L129-A159 HydrophobicContact CD1-CB 3.59Å; L155-A159 VanDerWaalsContact O-CB 3.29Å; L155-A159 WeakPolarHBondContact O-CB 3.38Å; L155-A159 PolarHBondContact O-N 2.81Å; H156-A159 PolarHBondContact O-N 2.94Å; H157-A159 VanDerWaalsContact C-N 3.28Å; H157-A159 PolarHBondContact O-N 3.34Å; A159-T161 VanDerWaalsContact C-N 3.29Å; A159-T161 PolarHBondContact O-N 2.91Å; A159-R162 CarbonylContact O-C 3.56Å; A159-R162 PolarHBondContact O-N 3.01Å; A159-S163 WeakPolarHBondContact O-CB 3.33Å; A159-S163 PolarHBondContact O-N 3.39Å; A159-V168 HydrophobicContact CB-CG1 4.2Å
160K96.6Very high97.4Very high68 Ų6841.5 Ų41.530%0.29621%0.211SC..Hα-helixtrans-61.7-35.4-178-16466.2172-179.60112.5H156 H157 R162 S163 V168 D195H156-K160 WeakPolarHBondContact O-CB 3.27Å; H156-K160 PolarHBondContact O-N 3.44Å; H157-K160 PolarHBondContact O-N 2.75Å; K160-R162 VanDerWaalsContact C-N 3.31Å; K160-R162 PolarHBondContact O-N 3.38Å; K160-S163 PolarHBondContact O-OG 3.4Å; K160-V168 HydrophobicContact CB-CG2 4.43Å; K160-V168 HydrophobicContact CD-CB 4.15Å; K160-V168 HydrophobicContact CD-CG2 3.66Å; K160-D195 IonicContact NZ-OD1 3.56Å; K160-D195 PolarHBondContact NZ-OD1 3.44Å; K160-D195 IonicContact NZ-OD2 3.19Å; K160-D195 PolarHBondContact NZ-OD2 3.35Å
161T96Very high97.4Very high115 Ų11539 Ų3971%0.70620%0.198SC*.Hα-helixtrans-65.9-33.8173.9-59.10000112.5H157 A159H157-T161 PolarHBondContact O-N 3.41Å; H157-T161 PolarHBondContact O-OG1 3.14Å; A159-T161 VanDerWaalsContact C-N 3.29Å; A159-T161 PolarHBondContact O-N 2.91Å
162R96.7Very high97.4Very high77 Ų7739 Ų3929%0.29120%0.197SC..Hα-helixtrans-90.3-22.7-176.9-72.8167.3173.867.94113.5L92 G93 W158 A159 K160 R164L92-R162 HydrophobicContact CB-CB 4.26Å; L92-R162 HydrophobicContact CD1-CB 4Å; G93-R162 WeakPolarHBondContact CA-O 3.29Å; G93-R162 PolarHBondContact N-O 3.38Å; W158-R162 VanDerWaalsContact CD1-NH1 3.32Å; W158-R162 VanDerWaalsContact CE2-CZ 3.46Å; W158-R162 VanDerWaalsContact CE2-NE 3.34Å; W158-R162 VanDerWaalsContact CZ2-CD 3.49Å; W158-R162 VanDerWaalsContact CZ2-NE 3.35Å; W158-R162 PolarHBondContact O-NH1 3.45Å; A159-R162 CarbonylContact O-C 3.56Å; A159-R162 PolarHBondContact O-N 3.01Å; K160-R162 VanDerWaalsContact C-N 3.31Å; K160-R162 PolarHBondContact O-N 3.38Å; R162-R164 PolarHBondContact O-N 3.33Å
163S95.4Very high97.4Very high0 Ų039.1 Ų39.10%020%0.198CC..THydrogen-bonded Turntrans-74-5.2-174.876.40000114.5L92 A159 K160 G165 S166L92-S163 WeakPolarHBondContact O-CA 3.35Å; A159-S163 WeakPolarHBondContact O-CB 3.33Å; A159-S163 PolarHBondContact O-N 3.39Å; K160-S163 PolarHBondContact O-OG 3.4Å; S163-G165 PolarHBondContact O-N 3.37Å; S163-G165 VanDerWaalsContact O-N 3.11Å; S163-S166 VanDerWaalsContact O-CB 3.27Å; S163-S166 WeakPolarHBondContact O-CB 3.33Å; S163-S166 PolarHBondContact O-N 2.94Å; S163-S166 PolarHBondContact O-OG 3.4Å; S163-S166 PolarHBondContact OG-O 3.17Å; S163-S166 VanDerWaalsContact OG-O 3.1Å
164R93.7Very high97.4Very high166 Ų16638.6 Ų38.663%0.62620%0.196SC*.THydrogen-bonded Turntrans5135.3177.6-62.4-176.6174.4152.11.4114E90 R162E90-R164 IonicContact OE1-NH2 2.6Å; E90-R164 IonicContact OE2-CZ 2.73Å; E90-R164 IonicContact OE2-NH1 2.69Å; E90-R164 IonicContact OE2-NH2 3.51Å; E90-R164 PolarHBondContact OE2-NH2 3.42Å; R162-R164 PolarHBondContact O-N 3.33Å
165G92.6Very high97.4Very high64 Ų6434.6 Ų34.666%0.6618%0.18SC*.THydrogen-bonded Turntrans95.4-3.4-179.700000114.6S163S163-G165 PolarHBondContact O-N 3.37Å; S163-G165 VanDerWaalsContact O-N 3.11Å
166S96Very high97.4Very high12 Ų1234.5 Ų34.58%0.08418%0.18CC..  trans-62.2150.6170.2-45.10000110.7G95 R96 S163G95-S166 VanDerWaalsContact CA-OG 3.22Å; G95-S166 WeakPolarHBondContact CA-OG 3.47Å; G95-S166 PolarHBondContact N-OG 2.95Å; R96-S166 VanDerWaalsContact O-CB 3.28Å; R96-S166 WeakPolarHBondContact O-CB 3.4Å; S163-S166 VanDerWaalsContact O-CB 3.27Å; S163-S166 WeakPolarHBondContact O-CB 3.33Å; S163-S166 PolarHBondContact O-N 2.94Å; S163-S166 PolarHBondContact O-OG 3.4Å; S163-S166 PolarHBondContact OG-O 3.17Å; S163-S166 VanDerWaalsContact OG-O 3.1Å
167L97.3Very high97.4Very high92 Ų9234.3 Ų34.348%0.48218%0.179SC..  trans-61.6136.4178.4-55.3175.7000109.9P97 V98 D195P97-L167 WeakPolarHBondContact CA-O 3.48Å; P97-L167 HydrophobicContact CB-CB 4.09Å; V98-L167 PolarHBondContact N-O 3.12Å; L167-D195 HydrophobicContact CB-CB 4.05Å; L167-D195 HydrophobicContact CD2-CB 4.04Å
168V98.4Very high97.4Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-122.3107.3175.1-175.80000108V98 I100 A159 K160 D195V98-V168 HydrophobicContact CB-CG2 4.31Å; V98-V168 CarbonylContact O-C 3.55Å; V98-V168 WeakPolarHBondContact O-CA 3.43Å; I100-V168 HydrophobicContact CD1-CG1 3.71Å; I100-V168 HydrophobicContact CG1-CG1 4.26Å; A159-V168 HydrophobicContact CB-CG1 4.2Å; K160-V168 HydrophobicContact CB-CG2 4.43Å; K160-V168 HydrophobicContact CD-CB 4.15Å; K160-V168 HydrophobicContact CD-CG2 3.66Å; V168-D195 PolarHBondContact N-OD2 3.26Å; V168-D195 PolarHBondContact O-N 2.93Å
169C98.4Very high97.4Very high14 Ų1429.8 Ų29.810%0.09516%0.159CC..EExtended strand (participates in β ladder)trans-103.9151.2-175.9-53.90000110.6V98 I100 A196 I198V98-C169 PolarHBondContact O-N 3.09Å; I100-C169 PolarHBondContact N-O 2.89Å; C169-A196 VanDerWaalsContact CA-O 3.31Å; C169-A196 WeakPolarHBondContact CA-O 3.45Å; C169-A196 HydrophobicContact CB-CB 4.24Å; C169-I198 HydrophobicContact CB-CD1 4.13Å
170L98.9Very high97.5Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-105.4126.3172.5-60.5-176000109.8I100 A180 A183 A184 V194 A196 L197 I198I100-L170 HydrophobicContact CB-CD2 3.78Å; I100-L170 HydrophobicContact CD1-CD2 3.95Å; I100-L170 HydrophobicContact CG1-CD2 4.39Å; I100-L170 HydrophobicContact CG2-CD2 4.11Å; L170-A180 HydrophobicContact CB-CB 4.24Å; L170-A183 HydrophobicContact CD1-CB 4.23Å; L170-A184 HydrophobicContact CD1-CB 4.49Å; L170-V194 HydrophobicContact CB-CG1 4.28Å; L170-V194 HydrophobicContact CD1-CG1 4.23Å; L170-V194 HydrophobicContact CD1-CG2 3.83Å; L170-V194 HydrophobicContact CG-CG1 3.76Å; L170-V194 HydrophobicContact CG-CG2 4.22Å; L170-A196 PolarHBondContact N-O 3.17Å; L170-L197 HydrophobicContact CB-CD1 3.87Å; L170-I198 PolarHBondContact O-N 3.03Å
171W98.9Very high97.6Very high4 Ų426.6 Ų26.62%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-112.4110.3171-172.5-60.2000109.5I99 I100 Y101 L102 L117 L121 I198 E200 L256 L311 V315I99-W171 HydrophobicContact CG2-CB 3.73Å; I100-W171 PolarHBondContact O-N 3.37Å; Y101-W171 HydrophobicContact CD2-CB 4.23Å; Y101-W171 AromaticContact CD2-CD1 3.55Å; Y101-W171 HydrophobicContact CD2-CG 4.02Å; Y101-W171 AromaticContact CE2-CD1 3.62Å; Y101-W171 HydrophobicContact CE2-CG 4.49Å; L102-W171 PolarHBondContact N-O 3.14Å; L117-W171 HydrophobicContact CD1-CH2 4.13Å; L117-W171 HydrophobicContact CD1-CZ2 3.78Å; L117-W171 HydrophobicContact CD2-CZ2 4.2Å; L121-W171 HydrophobicContact CD2-CE3 4.39Å; L121-W171 HydrophobicContact CD2-CZ3 4.04Å; W171-I198 CarbonylContact C-O 3.59Å; W171-I198 WeakPolarHBondContact CA-O 3.28Å; W171-I198 HydrophobicContact CB-CB 4.4Å; W171-I198 HydrophobicContact CD2-CB 3.85Å; W171-I198 HydrophobicContact CD2-CG2 3.66Å; W171-I198 HydrophobicContact CE3-CB 3.65Å; W171-I198 HydrophobicContact CE3-CD1 4.26Å; W171-I198 HydrophobicContact CE3-CG1 3.89Å; W171-I198 HydrophobicContact CE3-CG2 3.52Å; W171-I198 HydrophobicContact CG-CB 4.21Å; W171-I198 HydrophobicContact CG-CG2 4.37Å; W171-I198 HydrophobicContact CH2-CG2 3.89Å; W171-I198 HydrophobicContact CZ2-CG2 4.02Å; W171-I198 HydrophobicContact CZ3-CB 4.2Å; W171-I198 HydrophobicContact CZ3-CG1 4.25Å; W171-I198 HydrophobicContact CZ3-CG2 3.65Å; W171-E200 PolarHBondContact NE1-OE2 3.21Å; W171-L256 HydrophobicContact CH2-CD1 3.55Å; W171-L256 HydrophobicContact CZ2-CD1 3.59Å; W171-L311 HydrophobicContact CH2-CD1 4.24Å; W171-V315 HydrophobicContact CH2-CG1 3.71Å; W171-V315 HydrophobicContact CZ3-CG1 3.68Å
172G98.8Very high97.7Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-108.6118.8-179.700000112.4G176 I198 E200G172-G176 VanDerWaalsContact CA-C 3.49Å; G172-G176 WeakPolarHBondContact CA-O 3.5Å; G172-I198 PolarHBondContact N-O 2.93Å; G172-E200 PolarHBondContact O-N 2.98Å
173H98.6Very high97.8Very high3 Ų318.4 Ų18.41%0.01410%0.103CC..EExtended strand (participates in β ladder)trans-101.2127.4174.1173.7-123.2000111.3Y101 L102 H103 G104 H113 L175 G176 E200 H302Y101-H173 HydrophobicContact CE2-CB 4.08Å; L102-H173 PolarHBondContact O-N 2.82Å; H103-H173 CarbonylContact C-O 3.55Å; G104-H173 WeakPolarHBondContact CA-O 3.22Å; G104-H173 PolarHBondContact N-O 2.83Å; G104-H173 VanDerWaalsContact N-O 3.13Å; H113-H173 AromaticContact NE2-CE1 3.93Å; H173-L175 PolarHBondContact O-N 3.28Å; H173-L175 VanDerWaalsContact O-N 3.16Å; H173-G176 WeakPolarHBondContact O-CA 3.5Å; H173-G176 PolarHBondContact O-N 3.46Å; H173-E200 WeakPolarHBondContact CA-O 3.23Å; H173-E200 HydrophobicContact CB-CB 4.36Å; H173-E200 VanDerWaalsContact CD2-CD 3.5Å; H173-E200 IonicContact CD2-OE1 2.93Å; H173-E200 IonicContact CD2-OE2 3.77Å; H173-E200 IonicContact CG-OE2 2.75Å; H173-E200 IonicContact NE2-OE1 3.69Å; H173-H302 PolarHBondContact NE2-O 3.1Å
174S97.9Very high97.9Very high8 Ų818.4 Ų18.46%0.05610%0.103CC..THydrogen-bonded Turntrans52.1-119.1175.3-173.70000111.4G176 S177 E200 F203 H302S174-G176 PolarHBondContact O-N 2.75Å; S174-G176 VanDerWaalsContact O-N 3.12Å; S174-S177 WeakPolarHBondContact O-CB 3.36Å; S174-S177 PolarHBondContact O-N 3.16Å; S174-S177 PolarHBondContact O-OG 3.3Å; S174-E200 PolarHBondContact N-O 2.98Å; S174-F203 VanDerWaalsContact O-CE1 3.23Å; S174-F203 WeakPolarHBondContact O-CE1 3.39Å; S174-H302 VanDerWaalsContact CB-NE2 3.27Å; S174-H302 WeakPolarHBondContact CB-NE2 3.4Å; S174-H302 PolarHBondContact OG-CE1 3.12Å; S174-H302 VanDerWaalsContact OG-CE1 3.26Å; S174-H302 PolarHBondContact OG-NE2 3.01Å
175L98.6Very high98.2Very high3 Ų311.4 Ų11.42%0.0168%0.078CC..Hα-helixtrans-46.9-41172.4-179.365.1000112.9I30 F31 N105 F136 L148 H173 S177 G178 V179 F240I30-L175 HydrophobicContact CG2-CD1 4.48Å; F31-L175 HydrophobicContact CD1-CD2 3.9Å; F31-L175 HydrophobicContact CE1-CD2 4.39Å; N105-L175 HydrophobicContact CB-CB 4.24Å; N105-L175 HydrophobicContact CB-CD2 3.98Å; F136-L175 HydrophobicContact CZ-CD2 4.25Å; L148-L175 HydrophobicContact CD2-CD2 4.15Å; H173-L175 PolarHBondContact O-N 3.28Å; H173-L175 VanDerWaalsContact O-N 3.16Å; L175-S177 PolarHBondContact O-N 3.19Å; L175-G178 PolarHBondContact O-N 2.87Å; L175-G178 VanDerWaalsContact O-N 3.14Å; L175-V179 PolarHBondContact O-N 2.9Å; L175-F240 HydrophobicContact CD1-CD2 3.92Å; L175-F240 HydrophobicContact CD1-CE1 4.4Å; L175-F240 HydrophobicContact CD1-CE2 3.57Å; L175-F240 HydrophobicContact CD1-CG 4.48Å; L175-F240 HydrophobicContact CD1-CZ 3.82Å
176G98.7Very high98.4Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-63-20.7178.400000114H103 Y133 G172 H173 S174 G178 V179 A180H103-G176 WeakPolarHBondContact O-CA 3.4Å; H103-G176 PolarHBondContact O-N 2.8Å; Y133-G176 WeakPolarHBondContact OH-CA 3.22Å; G172-G176 VanDerWaalsContact CA-C 3.49Å; G172-G176 WeakPolarHBondContact CA-O 3.5Å; H173-G176 WeakPolarHBondContact O-CA 3.5Å; H173-G176 PolarHBondContact O-N 3.46Å; S174-G176 PolarHBondContact O-N 2.75Å; S174-G176 VanDerWaalsContact O-N 3.12Å; G176-G178 VanDerWaalsContact C-N 3.35Å; G176-V179 PolarHBondContact O-N 3.15Å; G176-A180 VanDerWaalsContact O-CB 3.27Å; G176-A180 WeakPolarHBondContact O-CB 3.49Å; G176-A180 PolarHBondContact O-N 2.86Å
177S98.7Very high98.5Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-63-43.7173.390.70000110.9S174 L175 A180 T181 A202 N242S174-S177 WeakPolarHBondContact O-CB 3.36Å; S174-S177 PolarHBondContact O-N 3.16Å; S174-S177 PolarHBondContact O-OG 3.3Å; L175-S177 PolarHBondContact O-N 3.19Å; S177-A180 PolarHBondContact O-N 2.9Å; S177-T181 PolarHBondContact O-N 2.86Å; S177-T181 PolarHBondContact O-OG1 2.82Å; S177-A202 WeakPolarHBondContact OG-CB 3.21Å; S177-N242 PolarHBondContact O-OD1 3.06Å; S177-N242 PolarHBondContact OG-ND2 3.03Å; S177-N242 VanDerWaalsContact OG-ND2 3.13Å; S177-N242 PolarHBondContact OG-OD1 3.21Å
178G98.7Very high98.5Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-64.8-41.1175.300000112.3L175 G176 T181 N182 N242L175-G178 PolarHBondContact O-N 2.87Å; L175-G178 VanDerWaalsContact O-N 3.14Å; G176-G178 VanDerWaalsContact C-N 3.35Å; G178-T181 PolarHBondContact O-OG1 3.24Å; G178-N182 VanDerWaalsContact O-CB 3.3Å; G178-N182 WeakPolarHBondContact O-CB 3.33Å; G178-N182 PolarHBondContact O-N 2.99Å; G178-N242 WeakPolarHBondContact CA-OD1 3.4Å; G178-N242 PolarHBondContact N-OD1 3.13Å
179V98.9Very high98.4Very high0 Ų016.3 Ų16.30%08%0.079CC..Hα-helixtrans-62.4-44.7175.1-174.90000110.8L102 Y133 L148 A152 L175 G176 N182 A183 F240L102-V179 HydrophobicContact CD1-CB 4.49Å; L102-V179 HydrophobicContact CD1-CG1 4.25Å; Y133-V179 HydrophobicContact CE1-CB 4.38Å; Y133-V179 HydrophobicContact CE1-CG1 3.97Å; Y133-V179 HydrophobicContact CE1-CG2 4.16Å; L148-V179 HydrophobicContact CB-CG1 4.3Å; L148-V179 HydrophobicContact CB-CG2 3.91Å; L148-V179 HydrophobicContact CD2-CG2 3.97Å; L148-V179 HydrophobicContact CG-CG2 4.39Å; L148-V179 WeakPolarHBondContact O-CG1 3.47Å; A152-V179 HydrophobicContact CB-CG1 3.6Å; L175-V179 PolarHBondContact O-N 2.9Å; G176-V179 PolarHBondContact O-N 3.15Å; V179-N182 PolarHBondContact O-N 3.11Å; V179-A183 WeakPolarHBondContact O-CB 3.38Å; V179-A183 PolarHBondContact O-N 2.84Å; V179-F240 HydrophobicContact CG2-CE1 3.88Å
180A98.9Very high98.4Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-63-47.4-179.400000112.1L102 L170 G176 S177 A183 A184 L197 L199L102-A180 HydrophobicContact CD1-CB 3.7Å; L170-A180 HydrophobicContact CB-CB 4.24Å; G176-A180 VanDerWaalsContact O-CB 3.27Å; G176-A180 WeakPolarHBondContact O-CB 3.49Å; G176-A180 PolarHBondContact O-N 2.86Å; S177-A180 PolarHBondContact O-N 2.9Å; A180-A183 PolarHBondContact O-N 3.26Å; A180-A184 VanDerWaalsContact O-CB 3.31Å; A180-A184 WeakPolarHBondContact O-CB 3.27Å; A180-A184 PolarHBondContact O-N 2.77Å; A180-L197 HydrophobicContact CB-CD1 3.68Å; A180-L199 HydrophobicContact CB-CD2 4.33Å
181T98.8Very high98.2Very high0 Ų024.4 Ų24.40%014%0.135CC..Hα-helixtrans-67.8-38.9178.557.10000112.1S177 G178 A184 V185 L197 L199 N242 N245 L246 L249S177-T181 PolarHBondContact O-N 2.86Å; S177-T181 PolarHBondContact O-OG1 2.82Å; G178-T181 PolarHBondContact O-OG1 3.24Å; T181-A184 PolarHBondContact O-N 3.43Å; T181-V185 WeakPolarHBondContact O-CG2 3.47Å; T181-V185 PolarHBondContact O-N 3.43Å; T181-L197 HydrophobicContact CG2-CD2 3.81Å; T181-L199 HydrophobicContact CG2-CD1 3.97Å; T181-L199 HydrophobicContact CG2-CD2 4.19Å; T181-N242 HydrophobicContact CG2-CB 4.42Å; T181-N242 WeakPolarHBondContact CG2-OD1 3.5Å; T181-N242 PolarHBondContact OG1-OD1 3.03Å; T181-N245 WeakPolarHBondContact CB-ND2 3.46Å; T181-N245 PolarHBondContact OG1-ND2 2.78Å; T181-L246 HydrophobicContact CG2-CD2 4.16Å; T181-L246 HydrophobicContact CG2-CG 4.19Å; T181-L249 HydrophobicContact CG2-CD1 4.28Å
182N98.8Very high97.9Very high20 Ų2027.4 Ų27.411%0.10716%0.157CC..Hα-helixtrans-61-47.3174.8-77.9-2.1000111.4E145 T149 G178 V179 V185 K186 N245E145-N182 WeakPolarHBondContact CG-ND2 3.37Å; E145-N182 PolarHBondContact OE1-ND2 3.5Å; T149-N182 HydrophobicContact CG2-CB 3.63Å; T149-N182 WeakPolarHBondContact OG1-CB 3.47Å; T149-N182 PolarHBondContact OG1-ND2 3.35Å; G178-N182 VanDerWaalsContact O-CB 3.3Å; G178-N182 WeakPolarHBondContact O-CB 3.33Å; G178-N182 PolarHBondContact O-N 2.99Å; V179-N182 PolarHBondContact O-N 3.11Å; N182-V185 PolarHBondContact O-N 3.12Å; N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 3.03Å; N182-K186 VanDerWaalsContact O-N 3.1Å; N182-N245 PolarHBondContact N-ND2 2.81Å; N182-N245 PolarHBondContact OD1-ND2 3.31Å
183A98.8Very high97.6Very high0 Ų029.3 Ų29.30%017%0.173CC..Hα-helixtrans-63.5-42.3177.800000111.4A152 L170 V179 A180 V185 K186 I187A152-A183 HydrophobicContact CB-CB 4.06Å; L170-A183 HydrophobicContact CD1-CB 4.23Å; V179-A183 WeakPolarHBondContact O-CB 3.38Å; V179-A183 PolarHBondContact O-N 2.84Å; A180-A183 PolarHBondContact O-N 3.26Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 PolarHBondContact O-N 2.89Å; A183-K186 WeakPolarHBondContact O-CB 3.35Å; A183-K186 PolarHBondContact O-N 2.78Å; A183-I187 WeakPolarHBondContact O-CD1 3.39Å; A183-I187 VanDerWaalsContact O-CG1 3.28Å; A183-I187 WeakPolarHBondContact O-CG1 3.49Å; A183-I187 PolarHBondContact O-N 2.9Å
184A98.6Very high97.5Very high1 Ų129.3 Ų29.31%0.00817%0.173CC..Hα-helixtrans-60.1-40.8176.500000112.3L170 A180 T181 I187 Q188 V194 L249L170-A184 HydrophobicContact CD1-CB 4.49Å; A180-A184 VanDerWaalsContact O-CB 3.31Å; A180-A184 WeakPolarHBondContact O-CB 3.27Å; A180-A184 PolarHBondContact O-N 2.77Å; T181-A184 PolarHBondContact O-N 3.43Å; A184-I187 PolarHBondContact O-N 3.01Å; A184-Q188 PolarHBondContact O-N 2.99Å; A184-V194 HydrophobicContact CB-CG2 3.78Å; A184-L249 HydrophobicContact CB-CD1 4.03Å; A184-L249 HydrophobicContact CB-CD2 3.64Å
185V98.3Very high97.4Very high18 Ų1831.2 Ų31.211%0.10918%0.182CC..Hα-helixtrans-63.3-44.1175.7167.60000110.4T181 N182 A183 I187 Q188 E189 N245 L249T181-V185 WeakPolarHBondContact O-CG2 3.47Å; T181-V185 PolarHBondContact O-N 3.43Å; N182-V185 PolarHBondContact O-N 3.12Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 PolarHBondContact O-N 2.89Å; V185-I187 VanDerWaalsContact C-N 3.32Å; V185-I187 PolarHBondContact O-N 3.23Å; V185-Q188 WeakPolarHBondContact O-CA 3.48Å; V185-Q188 WeakPolarHBondContact O-CB 3.36Å; V185-Q188 PolarHBondContact O-N 3.41Å; V185-Q188 VanDerWaalsContact O-N 3.1Å; V185-E189 HydrophobicContact CG1-CG 4.33Å; V185-E189 WeakPolarHBondContact O-CG 3.29Å; V185-E189 PolarHBondContact O-N 3.13Å; V185-N245 HydrophobicContact CG2-CB 3.75Å; V185-L249 HydrophobicContact CG2-CD1 4.21Å; V185-L249 HydrophobicContact CG2-CD2 3.8Å; V185-L249 HydrophobicContact CG2-CG 3.88Å
186K98.4Very high97.3Very high88 Ų8832.2 Ų32.238%0.38319%0.191SC..Hα-helixtrans-61.3-39.4177.1-68.3-73.8155.2-148.10112.5T149 L153 N182 A183 Q188 E189 Q190T149-K186 HydrophobicContact CG2-CG 4.23Å; L153-K186 HydrophobicContact CD1-CB 4.15Å; L153-K186 HydrophobicContact CD2-CB 4.03Å; N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 3.03Å; N182-K186 VanDerWaalsContact O-N 3.1Å; A183-K186 WeakPolarHBondContact O-CB 3.35Å; A183-K186 PolarHBondContact O-N 2.78Å; K186-Q188 VanDerWaalsContact C-N 3.32Å; K186-E189 WeakPolarHBondContact CD-OE2 3.39Å; K186-E189 WeakPolarHBondContact CE-OE2 3.47Å; K186-E189 IonicContact NZ-OE1 3.89Å; K186-E189 IonicContact NZ-OE2 2.85Å; K186-E189 PolarHBondContact NZ-OE2 3.21Å; K186-E189 PolarHBondContact O-N 2.98Å; K186-Q190 VanDerWaalsContact O-CG 3.27Å; K186-Q190 WeakPolarHBondContact O-CG 3.49Å; K186-Q190 PolarHBondContact O-N 2.81Å
187I98.2Very high97.3Very high1 Ų132.4 Ų32.41%0.00519%0.192CC..Hα-helixtrans-64.8-39.5174.8-67160.4000110.5L153 H156 A183 A184 V185 Q190 S192 V194L153-I187 HydrophobicContact CD1-CD1 4.12Å; L153-I187 HydrophobicContact CD1-CG1 3.44Å; L153-I187 VanDerWaalsContact CD1-CG1 3.44Å; H156-I187 HydrophobicContact CB-CD1 4.16Å; H156-I187 WeakPolarHBondContact ND1-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CD1 3.39Å; A183-I187 VanDerWaalsContact O-CG1 3.28Å; A183-I187 WeakPolarHBondContact O-CG1 3.49Å; A183-I187 PolarHBondContact O-N 2.9Å; A184-I187 PolarHBondContact O-N 3.01Å; V185-I187 VanDerWaalsContact C-N 3.32Å; V185-I187 PolarHBondContact O-N 3.23Å; I187-Q190 WeakPolarHBondContact O-CB 3.3Å; I187-Q190 PolarHBondContact O-N 3.28Å; I187-S192 PolarHBondContact O-N 3.02Å; I187-S192 VanDerWaalsContact O-N 3.12Å; I187-V194 HydrophobicContact CB-CG2 4.43Å; I187-V194 HydrophobicContact CD1-CG2 3.51Å; I187-V194 HydrophobicContact CG2-CG2 4.41Å
188Q96.4Very high97.3Very high55 Ų5533.3 Ų33.326%0.25720%0.197SC..Hα-helixtrans-66.2-41.6175.8-165.1174.1-89.400113.1A184 V185 K186 Q190 G191 S192 T248 S250A184-Q188 PolarHBondContact O-N 2.99Å; V185-Q188 WeakPolarHBondContact O-CA 3.48Å; V185-Q188 WeakPolarHBondContact O-CB 3.36Å; V185-Q188 PolarHBondContact O-N 3.41Å; V185-Q188 VanDerWaalsContact O-N 3.1Å; K186-Q188 VanDerWaalsContact C-N 3.32Å; Q188-Q190 PolarHBondContact O-N 2.99Å; Q188-G191 PolarHBondContact O-N 3.37Å; Q188-S192 WeakPolarHBondContact CA-O 3.36Å; Q188-T248 PolarHBondContact NE2-O 3.35Å; Q188-S250 PolarHBondContact OE1-OG 3.22Å
189E97.1Very high97.3Very high127 Ų12733.3 Ų33.359%0.59320%0.197SC*.Hα-helixtrans-61.1-27.4174-71.3171.9171.400112.5V185 K186 G191V185-E189 HydrophobicContact CG1-CG 4.33Å; V185-E189 WeakPolarHBondContact O-CG 3.29Å; V185-E189 PolarHBondContact O-N 3.13Å; K186-E189 WeakPolarHBondContact CD-OE2 3.39Å; K186-E189 WeakPolarHBondContact CE-OE2 3.47Å; K186-E189 IonicContact NZ-OE1 3.89Å; K186-E189 IonicContact NZ-OE2 2.85Å; K186-E189 PolarHBondContact NZ-OE2 3.21Å; K186-E189 PolarHBondContact O-N 2.98Å; E189-G191 VanDerWaalsContact C-N 3.25Å; E189-G191 PolarHBondContact O-N 2.84Å
190Q96.8Very high97.3Very high110 Ų11033.4 Ų33.451%0.51420%0.197SC..THydrogen-bonded Turntrans-82.53174.4-66.6167.6-3.200113.5H157 K186 I187 Q188H157-Q190 PolarHBondContact CE1-OE1 2.84Å; H157-Q190 PolarHBondContact NE2-OE1 3.34Å; H157-Q190 VanDerWaalsContact NE2-OE1 3.11Å; K186-Q190 VanDerWaalsContact O-CG 3.27Å; K186-Q190 WeakPolarHBondContact O-CG 3.49Å; K186-Q190 PolarHBondContact O-N 2.81Å; I187-Q190 WeakPolarHBondContact O-CB 3.3Å; I187-Q190 PolarHBondContact O-N 3.28Å; Q188-Q190 PolarHBondContact O-N 2.99Å
191G94.8Very high97.2Very high74 Ų7433.4 Ų33.476%0.76320%0.197SC*.THydrogen-bonded Turntrans83.417.9178.800000114.7Q188 E189Q188-G191 PolarHBondContact O-N 3.37Å; E189-G191 VanDerWaalsContact C-N 3.25Å; E189-G191 PolarHBondContact O-N 2.84Å
192S93.4Very high97.2Very high67 Ų6733.4 Ų33.447%0.46920%0.197SC..  trans-118-173.6174.4-163.20000110.9I187 Q188I187-S192 PolarHBondContact O-N 3.02Å; I187-S192 VanDerWaalsContact O-N 3.12Å; Q188-S192 WeakPolarHBondContact CA-O 3.36Å
193A92.6Very high97.2Very high40 Ų4032.5 Ų32.533%0.33119%0.192SC..  trans-145.8150.1171.200000109.1
194V95.5Very high97.1Very high3 Ų332.5 Ų32.52%0.01819%0.192CC..  trans-69.8138.7168.5179.60000108.1L170 A184 I187 A196 S251L170-V194 HydrophobicContact CB-CG1 4.28Å; L170-V194 HydrophobicContact CD1-CG1 4.23Å; L170-V194 HydrophobicContact CD1-CG2 3.83Å; L170-V194 HydrophobicContact CG-CG1 3.76Å; L170-V194 HydrophobicContact CG-CG2 4.22Å; A184-V194 HydrophobicContact CB-CG2 3.78Å; I187-V194 HydrophobicContact CB-CG2 4.43Å; I187-V194 HydrophobicContact CD1-CG2 3.51Å; I187-V194 HydrophobicContact CG2-CG2 4.41Å; V194-A196 VanDerWaalsContact C-N 3.33Å; V194-A196 WeakPolarHBondContact CG1-O 3.24Å; V194-A196 PolarHBondContact O-N 3.22Å; V194-S251 PolarHBondContact N-OG 2.73Å; V194-S251 WeakPolarHBondContact O-CB 3.45Å; V194-S251 PolarHBondContact O-OG 2.99Å
195D96.6Very high97.1Very high48 Ų4835.4 Ų35.426%0.25720%0.203SC..SBendtrans-64.8-36.7-175.3-64.8-69.1000112.3K160 L167 V168 P252K160-D195 IonicContact NZ-OD1 3.56Å; K160-D195 PolarHBondContact NZ-OD1 3.44Å; K160-D195 IonicContact NZ-OD2 3.19Å; K160-D195 PolarHBondContact NZ-OD2 3.35Å; L167-D195 HydrophobicContact CB-CB 4.05Å; L167-D195 HydrophobicContact CD2-CB 4.04Å; V168-D195 PolarHBondContact N-OD2 3.26Å; V168-D195 PolarHBondContact O-N 2.93Å; D195-P252 WeakPolarHBondContact O-CD 3.45Å
196A96.8Very high97Very high25 Ų2535.1 Ų35.121%0.20720%0.201CC..  trans-158.1151.7166.200000111.6C169 L170 V194 I198 P252C169-A196 VanDerWaalsContact CA-O 3.31Å; C169-A196 WeakPolarHBondContact CA-O 3.45Å; C169-A196 HydrophobicContact CB-CB 4.24Å; L170-A196 PolarHBondContact N-O 3.17Å; V194-A196 VanDerWaalsContact C-N 3.33Å; V194-A196 WeakPolarHBondContact CG1-O 3.24Å; V194-A196 PolarHBondContact O-N 3.22Å; A196-I198 HydrophobicContact CB-CD1 4.46Å; A196-P252 HydrophobicContact CB-CB 4.4Å
197L98.1Very high96.8Very high3 Ų331 Ų312%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-116.8125.2175.5-175.263.1000109.7L170 A180 T181 L199 L246 L249 P252 L253 L254L170-L197 HydrophobicContact CB-CD1 3.87Å; A180-L197 HydrophobicContact CB-CD1 3.68Å; T181-L197 HydrophobicContact CG2-CD2 3.81Å; L197-L199 HydrophobicContact CD1-CD2 3.77Å; L197-L199 HydrophobicContact CD2-CD1 4.26Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.19Å; L197-L199 HydrophobicContact CG-CD2 3.73Å; L197-L199 HydrophobicContact CG-CG 3.99Å; L197-L246 HydrophobicContact CD2-CD2 4.18Å; L197-L249 HydrophobicContact CD2-CD1 4.16Å; L197-P252 PolarHBondContact N-O 3.34Å; L197-L253 HydrophobicContact CB-CD1 4.16Å; L197-L253 HydrophobicContact CD2-CD1 3.98Å; L197-L253 HydrophobicContact CG-CD1 4Å; L197-L253 CarbonylContact O-C 3.6Å; L197-L253 VanDerWaalsContact O-CA 3.31Å; L197-L253 WeakPolarHBondContact O-CA 3.26Å; L197-L254 PolarHBondContact O-N 3.09Å
198I98.6Very high96.7Very high19 Ų1933.1 Ų33.110%0.09719%0.193CC..EExtended strand (participates in β ladder)trans-115.8121.5174.3-53.885.6000108C169 L170 W171 G172 A196 L254 L256C169-I198 HydrophobicContact CB-CD1 4.13Å; L170-I198 PolarHBondContact O-N 3.03Å; W171-I198 CarbonylContact C-O 3.59Å; W171-I198 WeakPolarHBondContact CA-O 3.28Å; W171-I198 HydrophobicContact CB-CB 4.4Å; W171-I198 HydrophobicContact CD2-CB 3.85Å; W171-I198 HydrophobicContact CD2-CG2 3.66Å; W171-I198 HydrophobicContact CE3-CB 3.65Å; W171-I198 HydrophobicContact CE3-CD1 4.26Å; W171-I198 HydrophobicContact CE3-CG1 3.89Å; W171-I198 HydrophobicContact CE3-CG2 3.52Å; W171-I198 HydrophobicContact CG-CB 4.21Å; W171-I198 HydrophobicContact CG-CG2 4.37Å; W171-I198 HydrophobicContact CH2-CG2 3.89Å; W171-I198 HydrophobicContact CZ2-CG2 4.02Å; W171-I198 HydrophobicContact CZ3-CB 4.2Å; W171-I198 HydrophobicContact CZ3-CG1 4.25Å; W171-I198 HydrophobicContact CZ3-CG2 3.65Å; G172-I198 PolarHBondContact N-O 2.93Å; A196-I198 HydrophobicContact CB-CD1 4.46Å; I198-L254 CarbonylContact C-O 3.57Å; I198-L254 WeakPolarHBondContact CA-O 3.32Å; I198-L254 HydrophobicContact CG1-CB 4.3Å; I198-L254 HydrophobicContact CG1-CD2 4.49Å; I198-L254 HydrophobicContact CG2-CB 4.34Å; I198-L254 HydrophobicContact CG2-CD2 4.21Å; I198-L254 HydrophobicContact CG2-CG 4.33Å; I198-L256 HydrophobicContact CG2-CD1 4.13Å; I198-L256 HydrophobicContact CG2-CG 4.38Å
199L98.8Very high96.6Very high0 Ų031.5 Ų31.50%019%0.187CC..EExtended strand (participates in β ladder)trans-115.1110-177.1-61.9-170.3000109.7A180 T181 L197 A202 L246 L253 L254 I255 L256A180-L199 HydrophobicContact CB-CD2 4.33Å; T181-L199 HydrophobicContact CG2-CD1 3.97Å; T181-L199 HydrophobicContact CG2-CD2 4.19Å; L197-L199 HydrophobicContact CD1-CD2 3.77Å; L197-L199 HydrophobicContact CD2-CD1 4.26Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.19Å; L197-L199 HydrophobicContact CG-CD2 3.73Å; L197-L199 HydrophobicContact CG-CG 3.99Å; L199-A202 HydrophobicContact CB-CB 3.82Å; L199-A202 HydrophobicContact CD1-CB 4.42Å; L199-L246 HydrophobicContact CD1-CD1 3.87Å; L199-L246 HydrophobicContact CD1-CD2 4.27Å; L199-L253 HydrophobicContact CB-CD1 4.46Å; L199-L253 HydrophobicContact CD1-CD1 3.75Å; L199-L253 HydrophobicContact CG-CD1 3.73Å; L199-L254 PolarHBondContact N-O 3.18Å; L199-I255 HydrophobicContact CB-CG1 4.43Å; L199-I255 WeakPolarHBondContact O-CA 3.41Å; L199-L256 PolarHBondContact O-N 3.21Å
200E98.5Very high96.4Very high2 Ų226.8 Ų26.81%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-104.4125.8-178.7-175.1-164.7164.200110.2W171 G172 H173 S174 A202 L256 I305W171-E200 PolarHBondContact NE1-OE2 3.21Å; G172-E200 PolarHBondContact O-N 2.98Å; H173-E200 WeakPolarHBondContact CA-O 3.23Å; H173-E200 HydrophobicContact CB-CB 4.36Å; H173-E200 VanDerWaalsContact CD2-CD 3.5Å; H173-E200 IonicContact CD2-OE1 2.93Å; H173-E200 IonicContact CD2-OE2 3.77Å; H173-E200 IonicContact CG-OE2 2.75Å; H173-E200 IonicContact NE2-OE1 3.69Å; S174-E200 PolarHBondContact N-O 2.98Å; E200-A202 PolarHBondContact O-N 3.02Å; E200-L256 WeakPolarHBondContact CA-O 3.38Å; E200-I305 HydrophobicContact CG-CB 4.35Å; E200-I305 HydrophobicContact CG-CD1 3.87Å
201A98.1Very high96.3Very high0 Ų022.4 Ų22.40%015%0.149CC..SBendtrans50.442.2-178.300000112.5L256A201-L256 PolarHBondContact N-O 3.25Å
202A98.1Very high96Very high0 Ų020.2 Ų20.20%012%0.123CC..  trans-78.4148.2-172.600000112.6S177 L199 E200 H257 V264 L272S177-A202 WeakPolarHBondContact OG-CB 3.21Å; L199-A202 HydrophobicContact CB-CB 3.82Å; L199-A202 HydrophobicContact CD1-CB 4.42Å; E200-A202 PolarHBondContact O-N 3.02Å; A202-H257 PolarHBondContact O-CE1 3.23Å; A202-V264 WeakPolarHBondContact O-CG1 3.44Å; A202-L272 HydrophobicContact CB-CD1 3.84Å
203F98.4Very high95.9Very high1 Ų120.8 Ų20.80%0.00412%0.12CC..  trans-110.9156.3178.456-98.5000111.4S174 I206 V209 F240 N242 V264 M268S174-F203 VanDerWaalsContact O-CE1 3.23Å; S174-F203 WeakPolarHBondContact O-CE1 3.39Å; F203-I206 HydrophobicContact CE1-CD1 3.99Å; F203-I206 HydrophobicContact CE2-CB 3.93Å; F203-I206 HydrophobicContact CE2-CD1 4.21Å; F203-I206 HydrophobicContact CZ-CB 4.23Å; F203-I206 HydrophobicContact CZ-CD1 3.78Å; F203-V209 HydrophobicContact CB-CG2 3.25Å; F203-V209 HydrophobicContact CD1-CG2 3.93Å; F203-V209 HydrophobicContact CD2-CG2 4.13Å; F203-V209 HydrophobicContact CG-CG2 3.51Å; F203-F240 HydrophobicContact CE2-CB 3.7Å; F203-F240 WeakPolarHBondContact CE2-O 3.15Å; F203-F240 HydrophobicContact CZ-CB 3.84Å; F203-F240 HydrophobicContact CZ-CG 4.49Å; F203-N242 WeakPolarHBondContact CE2-ND2 3.32Å; F203-N242 VanDerWaalsContact O-CB 3.23Å; F203-N242 WeakPolarHBondContact O-CB 3.49Å; F203-N242 PolarHBondContact O-ND2 2.67Å; F203-V264 HydrophobicContact CB-CG1 3.71Å; F203-V264 HydrophobicContact CB-CG2 4.37Å; F203-V264 HydrophobicContact CD1-CG2 4.45Å; F203-M268 HydrophobicContact CB-SD 4.02Å
204T98.2Very high95.6Very high0 Ų028.5 Ų28.50%014%0.141CC..SBendtrans-61.7-58174.243.80000111.8E208 N242 D243 M268 K271 L272T204-E208 PolarHBondContact OG1-OE2 3.1Å; T204-N242 PolarHBondContact O-N 2.89Å; T204-D243 PolarHBondContact O-N 3.06Å; T204-M268 HydrophobicContact CG2-CB 4.19Å; T204-M268 HydrophobicContact CG2-CG 4.47Å; T204-K271 HydrophobicContact CG2-CB 4.13Å; T204-K271 HydrophobicContact CG2-CD 3.73Å; T204-K271 HydrophobicContact CG2-CG 3.96Å; T204-L272 HydrophobicContact CG2-CD2 4.09Å; T204-L272 HydrophobicContact CG2-CG 4.34Å
205R97.1Very high95.1Very high62 Ų6234.2 Ų34.223%0.23417%0.171CC..  trans-149.1149.8174.763.7-175.3-53.5-166.62.8110.8G207 E208 V209R205-G207 VanDerWaalsContact C-N 3.25Å; R205-G207 PolarHBondContact O-N 2.69Å; R205-E208 WeakPolarHBondContact CD-OE1 3.42Å; R205-E208 HydrophobicContact CG-CB 3.9Å; R205-E208 HydrophobicContact CG-CG 3.52Å; R205-E208 PolarHBondContact O-N 3.5Å; R205-V209 PolarHBondContact O-N 2.95Å
206I96.1Very high94.6Very high13 Ų1332.5 Ų32.57%0.06716%0.163CC..Hα-helixtrans-63.1-33.9-172-165.864.1000112.4I30 F203 E208 V209 V210 L233 I238 S239 F240I30-I206 HydrophobicContact CD1-CG1 4.33Å; I30-I206 HydrophobicContact CG1-CG1 4.37Å; I30-I206 HydrophobicContact CG2-CD1 4.26Å; I30-I206 HydrophobicContact CG2-CG1 3.9Å; F203-I206 HydrophobicContact CE1-CD1 3.99Å; F203-I206 HydrophobicContact CE2-CB 3.93Å; F203-I206 HydrophobicContact CE2-CD1 4.21Å; F203-I206 HydrophobicContact CZ-CB 4.23Å; F203-I206 HydrophobicContact CZ-CD1 3.78Å; I206-E208 VanDerWaalsContact C-N 3.28Å; I206-E208 PolarHBondContact O-N 3.1Å; I206-V209 HydrophobicContact CD1-CB 4.5Å; I206-V209 WeakPolarHBondContact O-CB 3.31Å; I206-V209 PolarHBondContact O-N 2.86Å; I206-V209 VanDerWaalsContact O-N 3.08Å; I206-V210 WeakPolarHBondContact O-CG2 3.4Å; I206-V210 PolarHBondContact O-N 3.26Å; I206-L233 HydrophobicContact CG2-CD2 4.45Å; I206-I238 HydrophobicContact CG2-CG2 3.67Å; I206-S239 VanDerWaalsContact CG2-O 3.31Å; I206-S239 WeakPolarHBondContact CG2-O 3.42Å; I206-S239 PolarHBondContact N-O 3.14Å; I206-F240 HydrophobicContact CB-CB 4.22Å; I206-F240 HydrophobicContact CB-CD2 4.2Å; I206-F240 HydrophobicContact CG1-CD2 4.46Å; I206-F240 HydrophobicContact CG2-CB 4.46Å; I206-F240 HydrophobicContact CG2-CD2 4.19Å
207G95Very high94.3Very high1 Ų136.4 Ų36.41%0.0118%0.175CC..Hα-helixtrans-64.1-30.2177.100000113.9R205 V209 V210 A211 L233R205-G207 VanDerWaalsContact C-N 3.25Å; R205-G207 PolarHBondContact O-N 2.69Å; G207-V209 VanDerWaalsContact C-N 3.35Å; G207-V210 PolarHBondContact O-N 2.71Å; G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.46Å; G207-L233 VanDerWaalsContact CA-CD1 3.44Å
208E94.9Very high93.8Very high45 Ų4541 Ų4121%0.2120%0.2CC..Hα-helixtrans-69.6-34.4173.3-76.3179.4-149.100111T204 R205 I206 S212 W230 M268 K271T204-E208 PolarHBondContact OG1-OE2 3.1Å; R205-E208 WeakPolarHBondContact CD-OE1 3.42Å; R205-E208 HydrophobicContact CG-CB 3.9Å; R205-E208 HydrophobicContact CG-CG 3.52Å; R205-E208 PolarHBondContact O-N 3.5Å; I206-E208 VanDerWaalsContact C-N 3.28Å; I206-E208 PolarHBondContact O-N 3.1Å; E208-S212 WeakPolarHBondContact O-CB 3.3Å; E208-S212 PolarHBondContact O-N 3.03Å; E208-S212 PolarHBondContact O-OG 2.89Å; E208-W230 HydrophobicContact CG-CH2 4.17Å; E208-M268 HydrophobicContact CB-CE 3.67Å; E208-M268 HydrophobicContact CB-SD 4.5Å; E208-K271 IonicContact OE1-NZ 3.09Å; E208-K271 PolarHBondContact OE1-NZ 3.33Å; E208-K271 IonicContact OE2-NZ 3.47Å
209V95.1Very high93.3Very high22 Ų2241.8 Ų41.813%0.13320%0.202CC..Hα-helixtrans-65.8-47.3172.4-175.80000110.4F203 R205 I206 G207 A211 S212 N213 V264 M268F203-V209 HydrophobicContact CB-CG2 3.25Å; F203-V209 HydrophobicContact CD1-CG2 3.93Å; F203-V209 HydrophobicContact CD2-CG2 4.13Å; F203-V209 HydrophobicContact CG-CG2 3.51Å; R205-V209 PolarHBondContact O-N 2.95Å; I206-V209 HydrophobicContact CD1-CB 4.5Å; I206-V209 WeakPolarHBondContact O-CB 3.31Å; I206-V209 PolarHBondContact O-N 2.86Å; I206-V209 VanDerWaalsContact O-N 3.08Å; G207-V209 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 3.42Å; V209-S212 PolarHBondContact O-N 2.95Å; V209-S212 VanDerWaalsContact O-N 3.13Å; V209-N213 PolarHBondContact O-N 3.12Å; V209-N213 VanDerWaalsContact O-N 3.1Å; V209-V264 HydrophobicContact CG1-CG2 4.22Å; V209-V264 HydrophobicContact CG2-CG2 4.2Å; V209-M268 HydrophobicContact CG2-SD 4.21Å
210V94Very high92.8Very high28 Ų2844.7 Ų44.717%0.1722%0.216CC..Hα-helixtrans-58.2-48.8176.5179.40000110.5L26 I30 I206 G207 S212 N213 A216 L229L26-V210 HydrophobicContact CD1-CG1 4.03Å; L26-V210 HydrophobicContact CD1-CG2 4.48Å; I30-V210 HydrophobicContact CD1-CG2 4.3Å; I30-V210 HydrophobicContact CG1-CG2 4.1Å; I206-V210 WeakPolarHBondContact O-CG2 3.4Å; I206-V210 PolarHBondContact O-N 3.26Å; G207-V210 PolarHBondContact O-N 2.71Å; V210-S212 PolarHBondContact O-N 3.19Å; V210-N213 VanDerWaalsContact O-CB 3.25Å; V210-N213 WeakPolarHBondContact O-CB 3.39Å; V210-N213 PolarHBondContact O-N 3.07Å; V210-A216 WeakPolarHBondContact O-CB 3.3Å; V210-L229 HydrophobicContact CG1-CD1 3.86Å; V210-L229 HydrophobicContact CG1-CD2 4.19Å
211A92.9Very high92.1Very high17 Ų1753 Ų5314%0.1425%0.252CS..Hα-helixtrans-63.8-29.4178.100000113G207 V209 N213 M220 L229G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.46Å; V209-A211 PolarHBondContact O-N 3.42Å; A211-N213 VanDerWaalsContact C-N 3.34Å; A211-M220 HydrophobicContact CB-CE 4.33Å; A211-M220 HydrophobicContact CB-SD 4.36Å; A211-L229 HydrophobicContact CB-CD2 4.08Å
212S90.1Very high91.6Very high29 Ų2955.6 Ų55.620%0.20327%0.266CS..Hα-helixtrans-79.3-15.8178.7-65.20000113.9E208 V209 V210 K217 M268E208-S212 WeakPolarHBondContact O-CB 3.3Å; E208-S212 PolarHBondContact O-N 3.03Å; E208-S212 PolarHBondContact O-OG 2.89Å; V209-S212 PolarHBondContact O-N 2.95Å; V209-S212 VanDerWaalsContact O-N 3.13Å; V210-S212 PolarHBondContact O-N 3.19Å; S212-K217 WeakPolarHBondContact O-CD 3.19Å; S212-K217 WeakPolarHBondContact O-CE 3.48Å; S212-K217 PolarHBondContact O-NZ 3.38Å; S212-M268 WeakPolarHBondContact OG-CE 3.27Å
213N89.8Confident91.2Very high79 Ų7961.9 Ų61.942%0.42231%0.306SS..SBendtrans-62.4142.8178.7-173.9-79.3000111.6V209 V210 A211 L215 A216 K217V209-N213 PolarHBondContact O-N 3.12Å; V209-N213 VanDerWaalsContact O-N 3.1Å; V210-N213 VanDerWaalsContact O-CB 3.25Å; V210-N213 WeakPolarHBondContact O-CB 3.39Å; V210-N213 PolarHBondContact O-N 3.07Å; A211-N213 VanDerWaalsContact C-N 3.34Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.13Å; N213-L215 WeakPolarHBondContact OD1-CB 3.42Å; N213-L215 PolarHBondContact OD1-N 2.94Å; N213-A216 HydrophobicContact CB-CB 4.36Å; N213-A216 PolarHBondContact O-N 3Å; N213-K217 WeakPolarHBondContact O-CG 3.47Å; N213-K217 PolarHBondContact O-N 3.25Å
214R86.4Confident90.8Very high202 Ų20264.1 Ų64.176%0.76233%0.33SS*.Hα-helixtrans-54.9-39.3-178.5-69.6-175.4179.1172.10.8113.3
215L85.5Confident90.5Very high122 Ų12264.8 Ų64.864%0.63933%0.333SS*.Hα-helixtrans-69.5-47.9179-66175.9000110.9N213 K217 L218 Y219N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.13Å; N213-L215 WeakPolarHBondContact OD1-CB 3.42Å; N213-L215 PolarHBondContact OD1-N 2.94Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 3.23Å; L215-L218 WeakPolarHBondContact O-CB 3.5Å; L215-L218 PolarHBondContact O-N 3.14Å; L215-L218 VanDerWaalsContact O-N 3.15Å; L215-Y219 VanDerWaalsContact O-CD2 3.22Å; L215-Y219 WeakPolarHBondContact O-CD2 3.49Å
216A87.3Confident90.2Very high12 Ų1266.6 Ų66.610%0.09934%0.344CS..Hα-helixtrans-62.4-38.7179.200000112.2V210 N213 L218 Y219 M220V210-A216 WeakPolarHBondContact O-CB 3.3Å; N213-A216 HydrophobicContact CB-CB 4.36Å; N213-A216 PolarHBondContact O-N 3Å; A216-L218 PolarHBondContact O-N 2.92Å; A216-L218 VanDerWaalsContact O-N 3.14Å; A216-Y219 CarbonylContact O-C 3.44Å; A216-Y219 WeakPolarHBondContact O-CA 3.34Å; A216-Y219 WeakPolarHBondContact O-CB 3.41Å; A216-Y219 PolarHBondContact O-N 3.41Å; A216-M220 WeakPolarHBondContact O-CG 3.35Å; A216-M220 PolarHBondContact O-N 2.94Å
217K88.8Confident90.1Very high107 Ų10770 Ų7047%0.46537%0.369SS..Hα-helixtrans-55.1-30.8175.1-80177.6171.7158.80113.6S212 N213 L215 Y219 M220S212-K217 WeakPolarHBondContact O-CD 3.19Å; S212-K217 WeakPolarHBondContact O-CE 3.48Å; S212-K217 PolarHBondContact O-NZ 3.38Å; N213-K217 WeakPolarHBondContact O-CG 3.47Å; N213-K217 PolarHBondContact O-N 3.25Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 3.23Å; K217-Y219 VanDerWaalsContact C-N 3.27Å; K217-Y219 PolarHBondContact O-N 3.18Å; K217-M220 PolarHBondContact O-N 3.39Å
218L88.6Confident90.1Very high100 Ų10071.5 Ų71.552%0.52438%0.377SS..Hα-helixtrans-63.5-36.5173.8-62.1170000111.4Y12 L215 A216Y12-L218 PolarHBondContact OH-O 3.4Å; L215-L218 WeakPolarHBondContact O-CB 3.5Å; L215-L218 PolarHBondContact O-N 3.14Å; L215-L218 VanDerWaalsContact O-N 3.15Å; A216-L218 PolarHBondContact O-N 2.92Å; A216-L218 VanDerWaalsContact O-N 3.14Å
219Y88.1Confident90.1Very high36 Ų3669.6 Ų69.614%0.14137%0.368CS..Hα-helixtrans-86.7-18.7-179.4-63.4-85.6000113.7Y12 V15 P16 L215 A216 K217 F221 L222 F225Y12-Y219 AromaticContact CD2-CD1 3.89Å; Y12-Y219 HydrophobicContact CD2-CD1 3.89Å; Y12-Y219 AromaticContact CD2-CE1 3.45Å; Y12-Y219 HydrophobicContact CD2-CE1 3.45Å; Y12-Y219 VanDerWaalsContact CD2-CE1 3.45Å; Y12-Y219 AromaticContact CD2-CZ 3.91Å; Y12-Y219 AromaticContact CE2-CD1 3.66Å; Y12-Y219 HydrophobicContact CE2-CD1 3.66Å; Y12-Y219 AromaticContact CE2-CE1 3.73Å; Y12-Y219 HydrophobicContact CE2-CE1 3.73Å; Y12-Y219 HydrophobicContact CE2-CG 4.19Å; Y12-Y219 HydrophobicContact CG-CE1 4.16Å; Y12-Y219 VanDerWaalsContact O-CE1 3.25Å; Y12-Y219 WeakPolarHBondContact O-CE1 3.4Å; V15-Y219 HydrophobicContact CB-CE1 3.8Å; V15-Y219 HydrophobicContact CG1-CE1 4.02Å; V15-Y219 HydrophobicContact CG1-CE2 4.24Å; V15-Y219 WeakPolarHBondContact CG2-OH 3.28Å; P16-Y219 HydrophobicContact CG-CD1 4.05Å; P16-Y219 HydrophobicContact CG-CE1 4.43Å; L215-Y219 VanDerWaalsContact O-CD2 3.22Å; L215-Y219 WeakPolarHBondContact O-CD2 3.49Å; A216-Y219 CarbonylContact O-C 3.44Å; A216-Y219 WeakPolarHBondContact O-CA 3.34Å; A216-Y219 WeakPolarHBondContact O-CB 3.41Å; A216-Y219 PolarHBondContact O-N 3.41Å; K217-Y219 VanDerWaalsContact C-N 3.27Å; K217-Y219 PolarHBondContact O-N 3.18Å; Y219-F221 PolarHBondContact O-N 3.29Å; Y219-F221 VanDerWaalsContact O-N 3.1Å; Y219-L222 HydrophobicContact CD1-CD1 4.03Å; Y219-L222 VanDerWaalsContact O-CB 3.29Å; Y219-L222 WeakPolarHBondContact O-CB 3.34Å; Y219-L222 PolarHBondContact O-N 2.91Å; Y219-F225 VanDerWaalsContact CB-CE1 3.47Å; Y219-F225 HydrophobicContact CD1-CE2 4.5Å; Y219-F225 HydrophobicContact CG-CE1 4.48Å; Y219-F225 HydrophobicContact CG-CE2 4.23Å; Y219-F225 HydrophobicContact CG-CZ 4.13Å; Y219-F225 WeakPolarHBondContact O-CB 3.31Å
220M87.3Confident90.1Very high61 Ų6170.9 Ų70.930%0.337%0.371SS..THydrogen-bonded Turntrans-62.3-17.3178.2-67.6-60.1-74.100113.4A211 A216 K217 L222 F225 E226A211-M220 HydrophobicContact CB-CE 4.33Å; A211-M220 HydrophobicContact CB-SD 4.36Å; A216-M220 WeakPolarHBondContact O-CG 3.35Å; A216-M220 PolarHBondContact O-N 2.94Å; K217-M220 PolarHBondContact O-N 3.39Å; M220-L222 VanDerWaalsContact C-N 3.27Å; M220-L222 PolarHBondContact O-N 3.36Å; M220-F225 HydrophobicContact SD-CD1 3.9Å; M220-F225 HydrophobicContact SD-CE1 4.23Å; M220-E226 HydrophobicContact CE-CB 3.83Å; M220-E226 HydrophobicContact CE-CG 3.95Å; M220-E226 HydrophobicContact SD-CB 4.37Å
221F84.8Confident90.2Very high177 Ų17771.4 Ų71.478%0.77638%0.376SS*.THydrogen-bonded Turntrans-74.4-13.9171.2-65.5-74.4000113.7Y219Y219-F221 PolarHBondContact O-N 3.29Å; Y219-F221 VanDerWaalsContact O-N 3.1Å
222L87.4Confident90.4Very high54 Ų5470.7 Ų70.728%0.28337%0.369SS..SBendtrans-79.7124.8176.7-69.1175.4000110.7Y12 P16 Y219 M220 G224 F225Y12-L222 HydrophobicContact CD1-CD1 4.46Å; Y12-L222 HydrophobicContact CE1-CD1 3.77Å; Y12-L222 HydrophobicContact CE1-CD2 3.64Å; Y12-L222 HydrophobicContact CE1-CG 3.85Å; Y12-L222 WeakPolarHBondContact OH-CG 3.35Å; P16-L222 HydrophobicContact CG-CD1 4.12Å; Y219-L222 HydrophobicContact CD1-CD1 4.03Å; Y219-L222 VanDerWaalsContact O-CB 3.29Å; Y219-L222 WeakPolarHBondContact O-CB 3.34Å; Y219-L222 PolarHBondContact O-N 2.91Å; M220-L222 VanDerWaalsContact C-N 3.27Å; M220-L222 PolarHBondContact O-N 3.36Å; L222-G224 PolarHBondContact O-N 2.97Å; L222-F225 HydrophobicContact CB-CB 3.98Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 3.32Å; L222-F225 VanDerWaalsContact O-N 3.14Å
223P89.6Confident90.7Very high131 Ų13169.6 Ų69.685%0.85136%0.361SS*.THydrogen-bonded Turntrans-54.8128.3174-25.334.5000111.7F225P223-F225 VanDerWaalsContact C-N 3.32Å; P223-F225 PolarHBondContact O-N 3.49Å
224G90Very high91Very high49 Ų4972.9 Ų72.951%0.50537%0.374SS..THydrogen-bonded Turntrans82-5.4178.200000115.9L222 E226 S227 L228L222-G224 PolarHBondContact O-N 2.97Å; G224-E226 VanDerWaalsContact C-N 3.34Å; G224-E226 PolarHBondContact O-N 3.06Å; G224-S227 PolarHBondContact O-N 2.92Å; G224-L228 WeakPolarHBondContact O-CB 3.11Å; G224-L228 PolarHBondContact O-N 3.2Å
225F91.2Very high91.4Very high14 Ų1469.4 Ų69.46%0.06136%0.361CS..Hα-helixtrans-64.4-39.1177.7-180-99.4000112.4P16 Y219 M220 L222 P223 L228 L229P16-F225 HydrophobicContact CB-CD2 4.07Å; P16-F225 HydrophobicContact CB-CE2 4.25Å; P16-F225 HydrophobicContact CG-CD2 3.83Å; P16-F225 HydrophobicContact CG-CE2 3.96Å; Y219-F225 VanDerWaalsContact CB-CE1 3.47Å; Y219-F225 HydrophobicContact CD1-CE2 4.5Å; Y219-F225 HydrophobicContact CG-CE1 4.48Å; Y219-F225 HydrophobicContact CG-CE2 4.23Å; Y219-F225 HydrophobicContact CG-CZ 4.13Å; Y219-F225 WeakPolarHBondContact O-CB 3.31Å; M220-F225 HydrophobicContact SD-CD1 3.9Å; M220-F225 HydrophobicContact SD-CE1 4.23Å; L222-F225 HydrophobicContact CB-CB 3.98Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 3.32Å; L222-F225 VanDerWaalsContact O-N 3.14Å; P223-F225 VanDerWaalsContact C-N 3.32Å; P223-F225 PolarHBondContact O-N 3.49Å; F225-L228 HydrophobicContact CD2-CD2 4.33Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 3.37Å; F225-L229 PolarHBondContact O-N 3.05Å
226E92.2Very high91.9Very high99 Ų9965.4 Ų65.446%0.46334%0.339SS..Hα-helixtrans-60.1-49.6174.6179.7174.5177.800111.4M220 G224 L228 L229 W230M220-E226 HydrophobicContact CE-CB 3.83Å; M220-E226 HydrophobicContact CE-CG 3.95Å; M220-E226 HydrophobicContact SD-CB 4.37Å; G224-E226 VanDerWaalsContact C-N 3.34Å; G224-E226 PolarHBondContact O-N 3.06Å; E226-L228 VanDerWaalsContact C-N 3.25Å; E226-L228 PolarHBondContact O-N 3.2Å; E226-L229 WeakPolarHBondContact O-CB 3.5Å; E226-L229 PolarHBondContact O-N 3.19Å; E226-L229 VanDerWaalsContact O-N 3.14Å; E226-W230 PolarHBondContact O-N 3.15Å; E226-W230 PolarHBondContact OE1-NE1 3.43Å; E226-W230 VanDerWaalsContact OE1-NE1 3.12Å
227S94.1Very high92.4Very high85 Ų8570.8 Ų70.859%0.59437%0.367SS*.Hα-helixtrans-59.7-37.8175.8-51.10000112G224 S231G224-S227 PolarHBondContact O-N 2.92Å; S227-S231 WeakPolarHBondContact O-CB 3.39Å; S227-S231 PolarHBondContact O-N 3.46Å
228L94.4Very high92.8Very high32 Ų3266 Ų6617%0.16835%0.346CS..Hα-helixtrans-62.5-48.5174.1172.665000111.1P16 Y20 G224 F225 E226 W230 S231 I232P16-L228 HydrophobicContact CB-CD2 3.76Å; Y20-L228 HydrophobicContact CD2-CD1 3.63Å; Y20-L228 HydrophobicContact CG-CD1 4.25Å; G224-L228 WeakPolarHBondContact O-CB 3.11Å; G224-L228 PolarHBondContact O-N 3.2Å; F225-L228 HydrophobicContact CD2-CD2 4.33Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 3.37Å; E226-L228 VanDerWaalsContact C-N 3.25Å; E226-L228 PolarHBondContact O-N 3.2Å; L228-W230 VanDerWaalsContact C-N 3.34Å; L228-W230 PolarHBondContact O-N 3.1Å; L228-S231 PolarHBondContact O-N 3.32Å; L228-S231 VanDerWaalsContact O-N 3.16Å; L228-S231 PolarHBondContact O-OG 3.42Å; L228-I232 HydrophobicContact CD1-CD1 3.76Å; L228-I232 HydrophobicContact CD1-CG1 4.05Å; L228-I232 HydrophobicContact CD2-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 3.76Å; L228-I232 HydrophobicContact CG-CG1 4.44Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.08Å
229L94.7Very high93.2Very high6 Ų662.7 Ų62.73%0.03133%0.332CS..Hα-helixtrans-55.8-49.1177.7173.562.3000111.1L26 V210 A211 F225 E226 S231 I232 L233L26-L229 HydrophobicContact CD2-CD1 3.72Å; V210-L229 HydrophobicContact CG1-CD1 3.86Å; V210-L229 HydrophobicContact CG1-CD2 4.19Å; A211-L229 HydrophobicContact CB-CD2 4.08Å; F225-L229 PolarHBondContact O-N 3.05Å; E226-L229 WeakPolarHBondContact O-CB 3.5Å; E226-L229 PolarHBondContact O-N 3.19Å; E226-L229 VanDerWaalsContact O-N 3.14Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.95Å; L229-I232 PolarHBondContact O-N 3.48Å; L229-L233 HydrophobicContact CD1-CD1 4.16Å; L229-L233 HydrophobicContact CD1-CG 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.14Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.21Å
230W95.4Very high93.7Very high49 Ų4961 Ų6119%0.18633%0.325CS..Hα-helixtrans-60.2-43.6176.4-62.2125.5000112E208 E226 L228 I232 L233 E234E208-W230 HydrophobicContact CG-CH2 4.17Å; E226-W230 PolarHBondContact O-N 3.15Å; E226-W230 PolarHBondContact OE1-NE1 3.43Å; E226-W230 VanDerWaalsContact OE1-NE1 3.12Å; L228-W230 VanDerWaalsContact C-N 3.34Å; L228-W230 PolarHBondContact O-N 3.1Å; W230-I232 VanDerWaalsContact C-N 3.29Å; W230-I232 PolarHBondContact O-N 3.04Å; W230-L233 HydrophobicContact CE3-CD1 3.82Å; W230-L233 HydrophobicContact CZ3-CD1 3.99Å; W230-L233 PolarHBondContact O-N 3.03Å; W230-E234 WeakPolarHBondContact O-CG 3.42Å; W230-E234 PolarHBondContact O-N 3.13Å
231S96.1Very high94.2Very high39 Ų3958.6 Ų58.627%0.27331%0.314SS..Hα-helixtrans-63.5-33.7177.679.70000112.9S227 L228 L229 R235S227-S231 WeakPolarHBondContact O-CB 3.39Å; S227-S231 PolarHBondContact O-N 3.46Å; L228-S231 PolarHBondContact O-N 3.32Å; L228-S231 VanDerWaalsContact O-N 3.16Å; L228-S231 PolarHBondContact O-OG 3.42Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.95Å; S231-R235 WeakPolarHBondContact O-CB 3.45Å; S231-R235 WeakPolarHBondContact O-CD 2.99Å; S231-R235 WeakPolarHBondContact O-CG 3.25Å; S231-R235 PolarHBondContact O-N 3.06Å
232I96.3Very high94.8Very high2 Ų250.2 Ų50.21%0.0128%0.277CS..Hα-helixtrans-71.2-46.4177.1-69.9166.1000110L19 P23 L26 L228 L229 W230 E234 R235 I236L19-I232 HydrophobicContact CB-CD1 3.76Å; P23-I232 HydrophobicContact CB-CG2 3.75Å; L26-I232 HydrophobicContact CB-CG2 4.22Å; L26-I232 HydrophobicContact CD2-CB 4.43Å; L26-I232 HydrophobicContact CD2-CG2 3.68Å; L228-I232 HydrophobicContact CD1-CD1 3.76Å; L228-I232 HydrophobicContact CD1-CG1 4.05Å; L228-I232 HydrophobicContact CD2-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 3.76Å; L228-I232 HydrophobicContact CG-CG1 4.44Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.47Å; L228-I232 PolarHBondContact O-N 3.08Å; L229-I232 PolarHBondContact O-N 3.48Å; W230-I232 VanDerWaalsContact C-N 3.29Å; W230-I232 PolarHBondContact O-N 3.04Å; I232-E234 VanDerWaalsContact C-N 3.28Å; I232-E234 PolarHBondContact O-N 3.26Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.4Å; I232-R235 VanDerWaalsContact O-N 3.12Å; I232-I236 HydrophobicContact CG2-CD1 4.49Å; I232-I236 WeakPolarHBondContact O-CG1 3.35Å; I232-I236 PolarHBondContact O-N 2.88Å
233L96.6Very high95.3Very high6 Ų648.7 Ų48.73%0.03127%0.269CS..Hα-helixtrans-57.7-41.9176.8-73.7169.2000111.6L26 I30 I206 G207 L229 W230 I236 N237 I238L26-L233 HydrophobicContact CD2-CD2 3.77Å; L26-L233 HydrophobicContact CD2-CG 4.03Å; I30-L233 HydrophobicContact CD1-CD2 3.8Å; I206-L233 HydrophobicContact CG2-CD2 4.45Å; G207-L233 VanDerWaalsContact CA-CD1 3.44Å; L229-L233 HydrophobicContact CD1-CD1 4.16Å; L229-L233 HydrophobicContact CD1-CG 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.14Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.21Å; W230-L233 HydrophobicContact CE3-CD1 3.82Å; W230-L233 HydrophobicContact CZ3-CD1 3.99Å; W230-L233 PolarHBondContact O-N 3.03Å; L233-I236 HydrophobicContact CD2-CD1 4.41Å; L233-I236 WeakPolarHBondContact O-CG1 3.23Å; L233-I236 PolarHBondContact O-N 3.37Å; L233-N237 PolarHBondContact O-N 3.3Å; L233-I238 WeakPolarHBondContact CB-O 3.23Å; L233-I238 HydrophobicContact CD2-CG2 4.41Å; L233-I238 PolarHBondContact O-N 3.44Å
234E96.1Very high95.7Very high147 Ų14748.4 Ų48.469%0.68726%0.255SS*.Hα-helixtrans-63.4-46.3172.6-72.4173.8-175.100112W230 I232 I236 N237W230-E234 WeakPolarHBondContact O-CG 3.42Å; W230-E234 PolarHBondContact O-N 3.13Å; I232-E234 VanDerWaalsContact C-N 3.28Å; I232-E234 PolarHBondContact O-N 3.26Å; E234-I236 VanDerWaalsContact C-N 3.28Å; E234-I236 PolarHBondContact O-N 3.17Å; E234-N237 PolarHBondContact O-N 3.06Å
235R96Very high96.1Very high130 Ų13047.1 Ų47.149%0.49124%0.237SC..Hα-helixtrans-61-32.7178.4-78169.365.5-164.4-0.7113.8Y20 S231 I232Y20-R235 PolarHBondContact O-NH1 3.3Å; Y20-R235 PolarHBondContact O-NH2 2.78Å; Y20-R235 VanDerWaalsContact O-NH2 3.15Å; S231-R235 WeakPolarHBondContact O-CB 3.45Å; S231-R235 WeakPolarHBondContact O-CD 2.99Å; S231-R235 WeakPolarHBondContact O-CG 3.25Å; S231-R235 PolarHBondContact O-N 3.06Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.4Å; I232-R235 VanDerWaalsContact O-N 3.12Å
236I96Very high96.4Very high37 Ų3746.7 Ų46.719%0.1924%0.235CC..THydrogen-bonded Turntrans-93.81.1176.868.8-172.6000112.9P23 L26 I232 L233 E234 I238P23-I236 HydrophobicContact CB-CG2 3.66Å; P23-I236 HydrophobicContact CG-CG2 4.24Å; L26-I236 HydrophobicContact CB-CD1 4.29Å; L26-I236 HydrophobicContact CD2-CD1 4.29Å; L26-I236 HydrophobicContact CG-CD1 4.32Å; I232-I236 HydrophobicContact CG2-CD1 4.49Å; I232-I236 WeakPolarHBondContact O-CG1 3.35Å; I232-I236 PolarHBondContact O-N 2.88Å; L233-I236 HydrophobicContact CD2-CD1 4.41Å; L233-I236 WeakPolarHBondContact O-CG1 3.23Å; L233-I236 PolarHBondContact O-N 3.37Å; E234-I236 VanDerWaalsContact C-N 3.28Å; E234-I236 PolarHBondContact O-N 3.17Å; I236-I238 HydrophobicContact CD1-CB 4.28Å; I236-I238 HydrophobicContact CD1-CD1 3.78Å; I236-I238 HydrophobicContact CD1-CG1 4.31Å; I236-I238 HydrophobicContact CG1-CB 3.96Å; I236-I238 HydrophobicContact CG1-CD1 3.9Å; I236-I238 HydrophobicContact CG1-CG1 3.94Å; I236-I238 PolarHBondContact O-N 3.16Å
237N97Very high96.6Very high125 Ų12547.4 Ų47.467%0.66824%0.238SC*.THydrogen-bonded Turntrans55.247.7179.9-163.742.4000113.2L233 E234L233-N237 PolarHBondContact O-N 3.3Å; E234-N237 PolarHBondContact O-N 3.06Å
238I97.3Very high96.5Very high6 Ų647.4 Ų47.43%0.03124%0.235CC..  trans-124.3119177.8-65.6175.1000109.5I30 F31 E145 I206 L233 I236 F240I30-I238 HydrophobicContact CD1-CG2 3.97Å; F31-I238 HydrophobicContact CE2-CD1 3.56Å; F31-I238 HydrophobicContact CZ-CD1 3.72Å; F31-I238 HydrophobicContact CZ-CG1 4.34Å; E145-I238 WeakPolarHBondContact OE2-CA 3.24Å; I206-I238 HydrophobicContact CG2-CG2 3.67Å; L233-I238 WeakPolarHBondContact CB-O 3.23Å; L233-I238 HydrophobicContact CD2-CG2 4.41Å; L233-I238 PolarHBondContact O-N 3.44Å; I236-I238 HydrophobicContact CD1-CB 4.28Å; I236-I238 HydrophobicContact CD1-CD1 3.78Å; I236-I238 HydrophobicContact CD1-CG1 4.31Å; I236-I238 HydrophobicContact CG1-CB 3.96Å; I236-I238 HydrophobicContact CG1-CD1 3.9Å; I236-I238 HydrophobicContact CG1-CG1 3.94Å; I236-I238 PolarHBondContact O-N 3.16Å; I238-F240 HydrophobicContact CG2-CD2 3.94Å; I238-F240 HydrophobicContact CG2-CE2 4.01Å
239S96.8Very high96.5Very high32 Ų3247 Ų4722%0.22423%0.232CC..  trans-134.8-41.4179-167.80000113.4E145 I206 S241E145-S239 PolarHBondContact OE2-N 3.04Å; I206-S239 VanDerWaalsContact CG2-O 3.31Å; I206-S239 WeakPolarHBondContact CG2-O 3.42Å; I206-S239 PolarHBondContact N-O 3.14Å; S239-S241 PolarHBondContact O-N 3.36Å; S239-S241 PolarHBondContact OG-OG 3.09Å
240F98.2Very high96.2Very high0 Ų049.3 Ų49.30%025%0.249CC..  trans39.665.1-172.4-69.3-72.2000112F31 E145 L148 L175 V179 F203 I206 I238 N242F31-F240 AromaticContact CE1-CE2 3.89Å; F31-F240 HydrophobicContact CE1-CE2 3.89Å; F31-F240 AromaticContact CE1-CZ 3.96Å; F31-F240 HydrophobicContact CE1-CZ 3.96Å; F31-F240 HydrophobicContact CZ-CE2 4.25Å; F31-F240 HydrophobicContact CZ-CZ 4.43Å; E145-F240 HydrophobicContact CB-CD1 4.5Å; E145-F240 HydrophobicContact CB-CE1 3.94Å; E145-F240 HydrophobicContact CB-CE2 3.97Å; E145-F240 HydrophobicContact CB-CZ 3.65Å; E145-F240 HydrophobicContact CG-CD1 3.78Å; E145-F240 HydrophobicContact CG-CD2 4.48Å; E145-F240 HydrophobicContact CG-CE1 3.56Å; E145-F240 HydrophobicContact CG-CE2 4.27Å; E145-F240 HydrophobicContact CG-CG 4.26Å; E145-F240 HydrophobicContact CG-CZ 3.82Å; E145-F240 VanDerWaalsContact OE1-CA 3.32Å; E145-F240 WeakPolarHBondContact OE1-CA 3.31Å; E145-F240 PolarHBondContact OE1-N 2.94Å; E145-F240 PolarHBondContact OE2-N 3.4Å; L148-F240 HydrophobicContact CD2-CZ 4.21Å; L175-F240 HydrophobicContact CD1-CD2 3.92Å; L175-F240 HydrophobicContact CD1-CE1 4.4Å; L175-F240 HydrophobicContact CD1-CE2 3.57Å; L175-F240 HydrophobicContact CD1-CG 4.48Å; L175-F240 HydrophobicContact CD1-CZ 3.82Å; V179-F240 HydrophobicContact CG2-CE1 3.88Å; F203-F240 HydrophobicContact CE2-CB 3.7Å; F203-F240 WeakPolarHBondContact CE2-O 3.15Å; F203-F240 HydrophobicContact CZ-CB 3.84Å; F203-F240 HydrophobicContact CZ-CG 4.49Å; I206-F240 HydrophobicContact CB-CB 4.22Å; I206-F240 HydrophobicContact CB-CD2 4.2Å; I206-F240 HydrophobicContact CG1-CD2 4.46Å; I206-F240 HydrophobicContact CG2-CB 4.46Å; I206-F240 HydrophobicContact CG2-CD2 4.19Å; I238-F240 HydrophobicContact CG2-CD2 3.94Å; I238-F240 HydrophobicContact CG2-CE2 4.01Å; F240-N242 PolarHBondContact O-N 2.83Å
241S97.7Very high96Very high11 Ų1147.5 Ų47.58%0.07724%0.244CC..  trans-84.871.9-169.4-740000113S239 D243 K244 N245S239-S241 PolarHBondContact O-N 3.36Å; S239-S241 PolarHBondContact OG-OG 3.09Å; S241-D243 WeakPolarHBondContact CA-OD1 3.35Å; S241-D243 WeakPolarHBondContact CB-OD1 3.45Å; S241-D243 PolarHBondContact O-N 3.48Å; S241-K244 PolarHBondContact O-N 2.75Å; S241-K244 VanDerWaalsContact O-N 3.14Å; S241-N245 PolarHBondContact O-N 3.11Å; S241-N245 PolarHBondContact O-ND2 3.12Å
242N98.4Very high96Very high0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-54.5-38.7173-66.8-72.6000111.5S177 G178 T181 F203 T204 F240 K244 N245 L246 L272S177-N242 PolarHBondContact O-OD1 3.06Å; S177-N242 PolarHBondContact OG-ND2 3.03Å; S177-N242 VanDerWaalsContact OG-ND2 3.13Å; S177-N242 PolarHBondContact OG-OD1 3.21Å; G178-N242 WeakPolarHBondContact CA-OD1 3.4Å; G178-N242 PolarHBondContact N-OD1 3.13Å; T181-N242 HydrophobicContact CG2-CB 4.42Å; T181-N242 WeakPolarHBondContact CG2-OD1 3.5Å; T181-N242 PolarHBondContact OG1-OD1 3.03Å; F203-N242 WeakPolarHBondContact CE2-ND2 3.32Å; F203-N242 VanDerWaalsContact O-CB 3.23Å; F203-N242 WeakPolarHBondContact O-CB 3.49Å; F203-N242 PolarHBondContact O-ND2 2.67Å; T204-N242 PolarHBondContact O-N 2.89Å; F240-N242 PolarHBondContact O-N 2.83Å; N242-K244 VanDerWaalsContact C-N 3.33Å; N242-K244 PolarHBondContact O-N 3.1Å; N242-N245 PolarHBondContact O-N 3.23Å; N242-L246 VanDerWaalsContact O-CB 3.23Å; N242-L246 WeakPolarHBondContact O-CB 3.36Å; N242-L246 VanDerWaalsContact O-CG 3.24Å; N242-L246 WeakPolarHBondContact O-CG 3.41Å; N242-L246 PolarHBondContact O-N 2.81Å; N242-L272 HydrophobicContact CB-CD1 4.12Å; N242-L272 HydrophobicContact CB-CD2 4.04Å
243D98.3Very high96.1Very high22 Ų2248.4 Ų48.412%0.11825%0.249CC..Hα-helixtrans-59.7-37.3178.165.4-24000113.9T204 S241 Q247 L272 I275T204-D243 PolarHBondContact O-N 3.06Å; S241-D243 WeakPolarHBondContact CA-OD1 3.35Å; S241-D243 WeakPolarHBondContact CB-OD1 3.45Å; S241-D243 PolarHBondContact O-N 3.48Å; D243-Q247 WeakPolarHBondContact O-CG 3.49Å; D243-Q247 PolarHBondContact O-NE2 2.9Å; D243-L272 HydrophobicContact CB-CD2 4.15Å; D243-I275 HydrophobicContact CB-CD1 3.84Å
244K97.9Very high96.1Very high126 Ų12649.4 Ų49.455%0.54825%0.254SS..Hα-helixtrans-79.5-44.8174.5-66.5-176.9178.3178.60111.5S241 N242 L246 Q247S241-K244 PolarHBondContact O-N 2.75Å; S241-K244 VanDerWaalsContact O-N 3.14Å; N242-K244 VanDerWaalsContact C-N 3.33Å; N242-K244 PolarHBondContact O-N 3.1Å; K244-L246 VanDerWaalsContact C-N 3.31Å; K244-L246 PolarHBondContact O-N 3.49Å; K244-Q247 WeakPolarHBondContact O-CB 3.43Å; K244-Q247 PolarHBondContact O-N 2.96Å; K244-Q247 VanDerWaalsContact O-N 3.16Å
245N98.1Very high96.2Very high22 Ų2242.4 Ų42.412%0.11822%0.221CC..Hα-helixtrans-60.5-43.5-178.2-66.6-16.4000111.1T181 N182 V185 S241 N242 Q247 T248 L249T181-N245 WeakPolarHBondContact CB-ND2 3.46Å; T181-N245 PolarHBondContact OG1-ND2 2.78Å; N182-N245 PolarHBondContact N-ND2 2.81Å; N182-N245 PolarHBondContact OD1-ND2 3.31Å; V185-N245 HydrophobicContact CG2-CB 3.75Å; S241-N245 PolarHBondContact O-N 3.11Å; S241-N245 PolarHBondContact O-ND2 3.12Å; N242-N245 PolarHBondContact O-N 3.23Å; N245-Q247 PolarHBondContact O-N 2.99Å; N245-T248 PolarHBondContact O-N 3.02Å; N245-T248 VanDerWaalsContact O-N 3.09Å; N245-T248 PolarHBondContact O-OG1 2.92Å; N245-T248 VanDerWaalsContact O-OG1 3.12Å; N245-L249 HydrophobicContact CB-CD1 4.24Å; N245-L249 VanDerWaalsContact O-CG 3.3Å; N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 3.17Å; N245-L249 VanDerWaalsContact O-N 3.11Å
246L97.1Very high96.4Very high5 Ų536.2 Ų36.23%0.02620%0.198CC..THydrogen-bonded Turntrans-71.1-8-179.2-70.6173.9000114.4T181 L197 L199 N242 K244 T248 L249 L253 L272 I275T181-L246 HydrophobicContact CG2-CD2 4.16Å; T181-L246 HydrophobicContact CG2-CG 4.19Å; L197-L246 HydrophobicContact CD2-CD2 4.18Å; L199-L246 HydrophobicContact CD1-CD1 3.87Å; L199-L246 HydrophobicContact CD1-CD2 4.27Å; N242-L246 VanDerWaalsContact O-CB 3.23Å; N242-L246 WeakPolarHBondContact O-CB 3.36Å; N242-L246 VanDerWaalsContact O-CG 3.24Å; N242-L246 WeakPolarHBondContact O-CG 3.41Å; N242-L246 PolarHBondContact O-N 2.81Å; K244-L246 VanDerWaalsContact C-N 3.31Å; K244-L246 PolarHBondContact O-N 3.49Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-L249 HydrophobicContact CD2-CD1 4.09Å; L246-L253 HydrophobicContact CD1-CD2 4.41Å; L246-L253 HydrophobicContact CD2-CD1 4.25Å; L246-L253 HydrophobicContact CD2-CD2 3.79Å; L246-L272 HydrophobicContact CD1-CB 4.06Å; L246-L272 HydrophobicContact CD1-CD1 4.15Å; L246-L272 HydrophobicContact CD1-CD2 3.92Å; L246-L272 HydrophobicContact CD1-CG 4.26Å; L246-I275 HydrophobicContact CB-CG2 4.4Å
247Q95.5Very high96.5Very high114 Ų11434.5 Ų34.553%0.53319%0.189SC..THydrogen-bonded Turntrans-75.5-23.5170.1-69.1167.825.600112.4D243 K244 N245 I275 A279D243-Q247 WeakPolarHBondContact O-CG 3.49Å; D243-Q247 PolarHBondContact O-NE2 2.9Å; K244-Q247 WeakPolarHBondContact O-CB 3.43Å; K244-Q247 PolarHBondContact O-N 2.96Å; K244-Q247 VanDerWaalsContact O-N 3.16Å; N245-Q247 PolarHBondContact O-N 2.99Å; Q247-I275 HydrophobicContact CG-CG2 3.58Å; Q247-A279 WeakPolarHBondContact O-CB 3.44Å
248T92.4Very high96.5Very high85 Ų8528.6 Ų28.652%0.52116%0.157SC..THydrogen-bonded Turntrans-115.2-21.1-172.163.90000113.2Q188 N245 L246Q188-T248 PolarHBondContact NE2-O 3.35Å; N245-T248 PolarHBondContact O-N 3.02Å; N245-T248 VanDerWaalsContact O-N 3.09Å; N245-T248 PolarHBondContact O-OG1 2.92Å; N245-T248 VanDerWaalsContact O-OG1 3.12Å; L246-T248 VanDerWaalsContact C-N 3.31Å
249L93.9Very high96.6Very high23 Ų2332.9 Ų32.912%0.1218%0.177CC..  trans-68.2133.2-179.4-74.6172000112.3T181 A184 V185 L197 N245 L246T181-L249 HydrophobicContact CG2-CD1 4.28Å; A184-L249 HydrophobicContact CB-CD1 4.03Å; A184-L249 HydrophobicContact CB-CD2 3.64Å; V185-L249 HydrophobicContact CG2-CD1 4.21Å; V185-L249 HydrophobicContact CG2-CD2 3.8Å; V185-L249 HydrophobicContact CG2-CG 3.88Å; L197-L249 HydrophobicContact CD2-CD1 4.16Å; N245-L249 HydrophobicContact CB-CD1 4.24Å; N245-L249 VanDerWaalsContact O-CG 3.3Å; N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 3.17Å; N245-L249 VanDerWaalsContact O-N 3.11Å; L246-L249 HydrophobicContact CD2-CD1 4.09Å
250S88.6Confident96.6Very high55 Ų5533 Ų3339%0.38518%0.175SC..  trans-102.5-6.3179.559.60000114.5Q188Q188-S250 PolarHBondContact OE1-OG 3.22Å
251S92.7Very high96.6Very high10 Ų1033.4 Ų33.47%0.0718%0.177CC..SBendtrans-63.2145.4179.6-67.40000112.1V194 L253V194-S251 PolarHBondContact N-OG 2.73Å; V194-S251 WeakPolarHBondContact O-CB 3.45Å; V194-S251 PolarHBondContact O-OG 2.99Å; S251-L253 PolarHBondContact O-N 2.99Å
252P95.5Very high96.3Very high50 Ų5038.7 Ų38.733%0.32521%0.205SC..  trans-52.1135.3164.7-24.134.4000111D195 A196 L197 R288D195-P252 WeakPolarHBondContact O-CD 3.45Å; A196-P252 HydrophobicContact CB-CB 4.4Å; L197-P252 PolarHBondContact N-O 3.34Å; P252-R288 CarbonylContact C-O 3.6Å; P252-R288 WeakPolarHBondContact CA-O 3.29Å
253L97.3Very high96.2Very high11 Ų1142.9 Ų42.96%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-128.7128-172.6175.466.8000111.2L197 L199 L246 S251 I255 S276 R288 V289 Q290L197-L253 HydrophobicContact CB-CD1 4.16Å; L197-L253 HydrophobicContact CD2-CD1 3.98Å; L197-L253 HydrophobicContact CG-CD1 4Å; L197-L253 CarbonylContact O-C 3.6Å; L197-L253 VanDerWaalsContact O-CA 3.31Å; L197-L253 WeakPolarHBondContact O-CA 3.26Å; L199-L253 HydrophobicContact CB-CD1 4.46Å; L199-L253 HydrophobicContact CD1-CD1 3.75Å; L199-L253 HydrophobicContact CG-CD1 3.73Å; L246-L253 HydrophobicContact CD1-CD2 4.41Å; L246-L253 HydrophobicContact CD2-CD1 4.25Å; L246-L253 HydrophobicContact CD2-CD2 3.79Å; S251-L253 PolarHBondContact O-N 2.99Å; L253-I255 HydrophobicContact CD1-CG1 4.19Å; L253-I255 HydrophobicContact CD2-CD1 3.91Å; L253-I255 HydrophobicContact CD2-CG1 4.04Å; L253-I255 HydrophobicContact CG-CD1 4.45Å; L253-I255 HydrophobicContact CG-CG1 4.03Å; L253-S276 VanDerWaalsContact CD2-OG 3.24Å; L253-S276 WeakPolarHBondContact CD2-OG 3.38Å; L253-R288 PolarHBondContact N-O 3.2Å; L253-V289 HydrophobicContact CB-CG2 3.79Å; L253-V289 HydrophobicContact CD2-CG1 4.46Å; L253-V289 HydrophobicContact CD2-CG2 3.93Å; L253-V289 HydrophobicContact CG-CG2 4.35Å; L253-V289 WeakPolarHBondContact O-CA 3.39Å; L253-Q290 PolarHBondContact O-N 3.46Å
254L97.8Very high96.1Very high27 Ų2741.9 Ų41.914%0.14122%0.221CC..EExtended strand (participates in β ladder)trans-115.8125.8165.9177.261.2000109.5L197 I198 L199 L256 Q290 I292 V314L197-L254 PolarHBondContact O-N 3.09Å; I198-L254 CarbonylContact C-O 3.57Å; I198-L254 WeakPolarHBondContact CA-O 3.32Å; I198-L254 HydrophobicContact CG1-CB 4.3Å; I198-L254 HydrophobicContact CG1-CD2 4.49Å; I198-L254 HydrophobicContact CG2-CB 4.34Å; I198-L254 HydrophobicContact CG2-CD2 4.21Å; I198-L254 HydrophobicContact CG2-CG 4.33Å; L199-L254 PolarHBondContact N-O 3.18Å; L254-L256 HydrophobicContact CD1-CD2 3.99Å; L254-L256 HydrophobicContact CD2-CD2 4Å; L254-L256 HydrophobicContact CD2-CG 4.38Å; L254-L256 HydrophobicContact CG-CD2 3.87Å; L254-L256 HydrophobicContact CG-CG 4.21Å; L254-Q290 WeakPolarHBondContact CA-O 3.33Å; L254-Q290 HydrophobicContact CD1-CB 3.96Å; L254-I292 HydrophobicContact CD1-CD1 4.06Å; L254-I292 HydrophobicContact CD1-CG1 4.18Å; L254-V314 HydrophobicContact CD2-CG1 4.03Å
255I98.6Very high96Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-106.6126173-62.1170.9000108.8L199 L253 L272 Q290 M291 I292L199-I255 HydrophobicContact CB-CG1 4.43Å; L199-I255 WeakPolarHBondContact O-CA 3.41Å; L253-I255 HydrophobicContact CD1-CG1 4.19Å; L253-I255 HydrophobicContact CD2-CD1 3.91Å; L253-I255 HydrophobicContact CD2-CG1 4.04Å; L253-I255 HydrophobicContact CG-CD1 4.45Å; L253-I255 HydrophobicContact CG-CG1 4.03Å; I255-L272 HydrophobicContact CD1-CB 4.06Å; I255-Q290 PolarHBondContact N-O 3.12Å; I255-M291 HydrophobicContact CB-CB 4.26Å; I255-M291 HydrophobicContact CB-CG 4.15Å; I255-M291 HydrophobicContact CG2-CE 4.49Å; I255-M291 HydrophobicContact CG2-CG 4.12Å; I255-M291 CarbonylContact O-C 3.51Å; I255-M291 VanDerWaalsContact O-CA 3.3Å; I255-M291 WeakPolarHBondContact O-CA 3.39Å; I255-I292 PolarHBondContact O-N 2.99Å
256L98.6Very high96Very high0 Ų037.6 Ų37.60%020%0.204CC..EExtended strand (participates in β ladder)trans-114.9122.6175.3-57-178.4000109W171 I198 L199 E200 A201 L254 I292 Y294 I305 L311 V314W171-L256 HydrophobicContact CH2-CD1 3.55Å; W171-L256 HydrophobicContact CZ2-CD1 3.59Å; I198-L256 HydrophobicContact CG2-CD1 4.13Å; I198-L256 HydrophobicContact CG2-CG 4.38Å; L199-L256 PolarHBondContact O-N 3.21Å; E200-L256 WeakPolarHBondContact CA-O 3.38Å; A201-L256 PolarHBondContact N-O 3.25Å; L254-L256 HydrophobicContact CD1-CD2 3.99Å; L254-L256 HydrophobicContact CD2-CD2 4Å; L254-L256 HydrophobicContact CD2-CG 4.38Å; L254-L256 HydrophobicContact CG-CD2 3.87Å; L254-L256 HydrophobicContact CG-CG 4.21Å; L256-I292 HydrophobicContact CD2-CB 3.77Å; L256-I292 HydrophobicContact CD2-CD1 4.11Å; L256-I292 HydrophobicContact CD2-CG1 4.32Å; L256-I292 HydrophobicContact CD2-CG2 4.48Å; L256-Y294 HydrophobicContact CB-CE2 4.27Å; L256-Y294 HydrophobicContact CD2-CE2 4.33Å; L256-I305 HydrophobicContact CB-CD1 4.31Å; L256-I305 HydrophobicContact CD1-CG2 4.41Å; L256-L311 HydrophobicContact CD1-CD1 3.95Å; L256-V314 HydrophobicContact CD2-CG1 4.23Å
257H98.6Very high96Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-145.5132.5-179-144.8126.1000112.2A202 D261 V264 F266 G269 M291 I292 S293 Y294A202-H257 PolarHBondContact O-CE1 3.23Å; H257-D261 IonicContact NE2-OD2 2.88Å; H257-V264 PolarHBondContact NE2-O 3.5Å; H257-F266 HydrophobicContact CB-CD2 3.86Å; H257-F266 HydrophobicContact CB-CE2 4.01Å; H257-F266 AromaticContact CD2-CD2 3.87Å; H257-F266 AromaticContact CG-CD2 3.88Å; H257-G269 WeakPolarHBondContact ND1-CA 3.44Å; H257-M291 HydrophobicContact CB-CE 4.1Å; H257-I292 PolarHBondContact N-O 3.4Å; H257-I292 VanDerWaalsContact N-O 3.11Å; H257-S293 CarbonylContact O-C 3.55Å; H257-S293 WeakPolarHBondContact O-CA 3.29Å; H257-Y294 PolarHBondContact O-N 3.45Å
258A98.2Very high96.1Very high1 Ų137 Ų371%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-86.4134.117300000111.5D260 D261 L300 S301 I305A258-D260 WeakPolarHBondContact CB-OD1 3.49Å; A258-D260 PolarHBondContact O-N 3.46Å; A258-D261 WeakPolarHBondContact O-CB 3.3Å; A258-D261 PolarHBondContact O-N 3.15Å; A258-L300 HydrophobicContact CB-CB 4.15Å; A258-S301 WeakPolarHBondContact CB-O 3.49Å; A258-I305 HydrophobicContact CB-CD1 4.43Å; A258-I305 HydrophobicContact CB-CG1 4.33Å
259E98.1Very high96.4Very high97 Ų9733 Ų3345%0.45318%0.176SC..THydrogen-bonded Turntrans-66.1-23.9-179.7-68.9179.1173.700112.9F266 Y294 G295 A296E259-F266 HydrophobicContact CG-CD1 4.22Å; E259-F266 HydrophobicContact CG-CD2 4.26Å; E259-F266 HydrophobicContact CG-CE1 4.05Å; E259-F266 HydrophobicContact CG-CE2 4.12Å; E259-F266 HydrophobicContact CG-CG 4.32Å; E259-F266 HydrophobicContact CG-CZ 4.01Å; E259-Y294 WeakPolarHBondContact CG-O 3.29Å; E259-Y294 PolarHBondContact N-O 3.45Å; E259-G295 WeakPolarHBondContact OE2-CA 3.48Å; E259-A296 HydrophobicContact CB-CB 4.1Å; E259-A296 PolarHBondContact OE2-N 3.09Å
260D97.5Very high96.6Very high33 Ų3336.1 Ų36.118%0.17619%0.191CC..THydrogen-bonded Turntrans-94.318.8177.971.1-36000113.8A258 N262 A296 G299 L300 S301A258-D260 WeakPolarHBondContact CB-OD1 3.49Å; A258-D260 PolarHBondContact O-N 3.46Å; D260-N262 PolarHBondContact O-N 3.28Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 PolarHBondContact O-ND2 3.47Å; D260-N262 VanDerWaalsContact O-ND2 3.15Å; D260-A296 HydrophobicContact CB-CB 3.96Å; D260-G299 VanDerWaalsContact OD2-C 3.3Å; D260-G299 VanDerWaalsContact OD2-CA 3.26Å; D260-G299 WeakPolarHBondContact OD2-CA 3.49Å; D260-L300 PolarHBondContact OD2-N 3.4Å; D260-S301 VanDerWaalsContact CG-N 3.33Å; D260-S301 PolarHBondContact O-OG 2.88Å; D260-S301 WeakPolarHBondContact OD1-CA 3.2Å; D260-S301 PolarHBondContact OD1-N 3.44Å; D260-S301 PolarHBondContact OD2-N 3.46Å; D260-S301 VanDerWaalsContact OD2-N 3.09Å
261D97.3Very high97.1Very high9 Ų937.6 Ų37.65%0.04819%0.19CC..  trans-68.3109.9173.4-169.3-19.7000111.4H257 A258 I263 V264 H302H257-D261 IonicContact NE2-OD2 2.88Å; A258-D261 WeakPolarHBondContact O-CB 3.3Å; A258-D261 PolarHBondContact O-N 3.15Å; D261-I263 WeakPolarHBondContact OD1-CA 3.48Å; D261-I263 PolarHBondContact OD1-N 3.02Å; D261-V264 VanDerWaalsContact CB-O 3.29Å; D261-V264 WeakPolarHBondContact CB-O 3.44Å; D261-V264 PolarHBondContact OD1-N 2.98Å; D261-H302 VanDerWaalsContact CG-ND1 3.35Å; D261-H302 WeakPolarHBondContact OD1-CB 3.43Å; D261-H302 IonicContact OD1-CG 3.65Å; D261-H302 IonicContact OD1-ND1 2.71Å; D261-H302 PolarHBondContact OD1-ND1 3.38Å; D261-H302 IonicContact OD2-CE1 3.58Å; D261-H302 IonicContact OD2-CG 3.58Å; D261-H302 IonicContact OD2-ND1 3.65Å; D261-H302 PolarHBondContact OD2-ND1 2.89Å
262N92.8Very high97.3Very high123 Ų12337.1 Ų37.166%0.65819%0.187SC*.SBendtrans-92.6-2.9-179-69.1-64.1000113.9D260D260-N262 PolarHBondContact O-N 3.28Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 PolarHBondContact O-ND2 3.47Å; D260-N262 VanDerWaalsContact O-ND2 3.15Å
263I94.9Very high97.4Very high88 Ų8837.8 Ų37.845%0.45118%0.183SC..SBendtrans-103.6-53.1-179.7-56.2-59.1000109.6D261 H302D261-I263 WeakPolarHBondContact OD1-CA 3.48Å; D261-I263 PolarHBondContact OD1-N 3.02Å; I263-H302 HydrophobicContact CB-CB 3.99Å; I263-H302 HydrophobicContact CG1-CB 3.77Å
264V96.9Very high97.4Very high0 Ų042.4 Ų42.40%020%0.204CC..SBendtrans-113.2101.4173.9-179.60000108.2A202 F203 V209 H257 D261 F266 M268A202-V264 WeakPolarHBondContact O-CG1 3.44Å; F203-V264 HydrophobicContact CB-CG1 3.71Å; F203-V264 HydrophobicContact CB-CG2 4.37Å; F203-V264 HydrophobicContact CD1-CG2 4.45Å; V209-V264 HydrophobicContact CG1-CG2 4.22Å; V209-V264 HydrophobicContact CG2-CG2 4.2Å; H257-V264 PolarHBondContact NE2-O 3.5Å; D261-V264 VanDerWaalsContact CB-O 3.29Å; D261-V264 WeakPolarHBondContact CB-O 3.44Å; D261-V264 PolarHBondContact OD1-N 2.98Å; V264-F266 PolarHBondContact O-N 3.46Å; V264-M268 HydrophobicContact CG1-CB 4.28Å; V264-M268 HydrophobicContact CG1-SD 4.03Å
265P95.8Very high97.4Very high27 Ų2742.6 Ų42.618%0.17521%0.205CC..  trans-54.3135.5-176.6-28.536000113.1H267 M268P265-H267 WeakPolarHBondContact CB-CE1 3.35Å; P265-H267 VanDerWaalsContact CB-ND1 3.34Å; P265-H267 WeakPolarHBondContact CB-ND1 3.41Å; P265-H267 PolarHBondContact O-N 3.4Å; P265-M268 HydrophobicContact CG-CE 4.33Å; P265-M268 WeakPolarHBondContact O-CB 3.26Å; P265-M268 PolarHBondContact O-N 2.9Å
266F97.5Very high97.2Very high32 Ų3242.8 Ų42.814%0.1421%0.207CC..Hα-helixtrans-49.5-35.1-178.2178.3-116.6000114.7H257 E259 V264 M268 G269 Q270 M291 S293H257-F266 HydrophobicContact CB-CD2 3.86Å; H257-F266 HydrophobicContact CB-CE2 4.01Å; H257-F266 AromaticContact CD2-CD2 3.87Å; H257-F266 AromaticContact CG-CD2 3.88Å; E259-F266 HydrophobicContact CG-CD1 4.22Å; E259-F266 HydrophobicContact CG-CD2 4.26Å; E259-F266 HydrophobicContact CG-CE1 4.05Å; E259-F266 HydrophobicContact CG-CE2 4.12Å; E259-F266 HydrophobicContact CG-CG 4.32Å; E259-F266 HydrophobicContact CG-CZ 4.01Å; V264-F266 PolarHBondContact O-N 3.46Å; F266-M268 PolarHBondContact O-N 3.14Å; F266-M268 VanDerWaalsContact O-N 3.13Å; F266-G269 PolarHBondContact O-N 3.15Å; F266-G269 VanDerWaalsContact O-N 3.07Å; F266-Q270 HydrophobicContact CD1-CG 4.03Å; F266-Q270 HydrophobicContact CE1-CG 3.67Å; F266-Q270 VanDerWaalsContact CE1-NE2 3.29Å; F266-Q270 HydrophobicContact CE2-CG 4.4Å; F266-Q270 HydrophobicContact CZ-CG 3.86Å; F266-Q270 PolarHBondContact O-N 3.34Å; F266-Q270 VanDerWaalsContact O-N 3.12Å; F266-M291 HydrophobicContact CD2-CE 4.36Å; F266-M291 HydrophobicContact CE2-CE 3.56Å; F266-M291 HydrophobicContact CZ-CE 3.95Å; F266-S293 WeakPolarHBondContact CE2-OG 3.4Å; F266-S293 WeakPolarHBondContact CZ-OG 3.4Å
267H97.4Very high97Very high104 Ų10444.3 Ų44.348%0.48121%0.214SC..Hα-helixtrans-60.9-23.6178.272.2-99.2000113.5P265 K271P265-H267 WeakPolarHBondContact CB-CE1 3.35Å; P265-H267 VanDerWaalsContact CB-ND1 3.34Å; P265-H267 WeakPolarHBondContact CB-ND1 3.41Å; P265-H267 PolarHBondContact O-N 3.4Å; H267-K271 VanDerWaalsContact O-CB 3.32Å; H267-K271 WeakPolarHBondContact O-CB 3.33Å; H267-K271 PolarHBondContact O-N 3Å
268M98.2Very high96.7Very high2 Ų251.8 Ų51.81%0.0124%0.243CC..Hα-helixtrans-68-44.4174.6-65.5-172.4-179.700110.9F203 T204 E208 V209 S212 V264 P265 F266 K271 L272F203-M268 HydrophobicContact CB-SD 4.02Å; T204-M268 HydrophobicContact CG2-CB 4.19Å; T204-M268 HydrophobicContact CG2-CG 4.47Å; E208-M268 HydrophobicContact CB-CE 3.67Å; E208-M268 HydrophobicContact CB-SD 4.5Å; V209-M268 HydrophobicContact CG2-SD 4.21Å; S212-M268 WeakPolarHBondContact OG-CE 3.27Å; V264-M268 HydrophobicContact CG1-CB 4.28Å; V264-M268 HydrophobicContact CG1-SD 4.03Å; P265-M268 HydrophobicContact CG-CE 4.33Å; P265-M268 WeakPolarHBondContact O-CB 3.26Å; P265-M268 PolarHBondContact O-N 2.9Å; F266-M268 PolarHBondContact O-N 3.14Å; F266-M268 VanDerWaalsContact O-N 3.13Å; M268-K271 PolarHBondContact O-N 2.84Å; M268-L272 WeakPolarHBondContact O-CG 3.47Å; M268-L272 PolarHBondContact O-N 3.03Å
269G97.9Very high96.3Very high0 Ų052.4 Ų52.40%025%0.248CC..Hα-helixtrans-61.3-43.317300000112H257 F266 K271 L272 Y273H257-G269 WeakPolarHBondContact ND1-CA 3.44Å; F266-G269 PolarHBondContact O-N 3.15Å; F266-G269 VanDerWaalsContact O-N 3.07Å; G269-K271 VanDerWaalsContact C-N 3.33Å; G269-K271 PolarHBondContact O-N 2.94Å; G269-L272 PolarHBondContact O-N 3.1Å; G269-Y273 PolarHBondContact O-N 2.88Å
270Q98.4Very high95.7Very high90 Ų9048.9 Ų48.942%0.42123%0.231SC..Hα-helixtrans-59.7-42.5174.2-64.1-178.3-58.900111.9F266 Y273 Q274 M291F266-Q270 HydrophobicContact CD1-CG 4.03Å; F266-Q270 HydrophobicContact CE1-CG 3.67Å; F266-Q270 VanDerWaalsContact CE1-NE2 3.29Å; F266-Q270 HydrophobicContact CE2-CG 4.4Å; F266-Q270 HydrophobicContact CZ-CG 3.86Å; F266-Q270 PolarHBondContact O-N 3.34Å; F266-Q270 VanDerWaalsContact O-N 3.12Å; Q270-Y273 PolarHBondContact O-N 2.59Å; Q270-Q274 WeakPolarHBondContact O-CG 3.41Å; Q270-Q274 PolarHBondContact O-N 3.47Å; Q270-M291 HydrophobicContact CG-CE 3.99Å
271K98.4Very high95.1Very high86 Ų8655.1 Ų55.137%0.37425%0.252SS..Hα-helixtrans-63.8-42.6177.2179.6170.2161.4-161.90111.5T204 E208 H267 M268 G269 Q274 I275T204-K271 HydrophobicContact CG2-CB 4.13Å; T204-K271 HydrophobicContact CG2-CD 3.73Å; T204-K271 HydrophobicContact CG2-CG 3.96Å; E208-K271 IonicContact OE1-NZ 3.09Å; E208-K271 PolarHBondContact OE1-NZ 3.33Å; E208-K271 IonicContact OE2-NZ 3.47Å; H267-K271 VanDerWaalsContact O-CB 3.32Å; H267-K271 WeakPolarHBondContact O-CB 3.33Å; H267-K271 PolarHBondContact O-N 3Å; M268-K271 PolarHBondContact O-N 2.84Å; G269-K271 VanDerWaalsContact C-N 3.33Å; G269-K271 PolarHBondContact O-N 2.94Å; K271-Q274 PolarHBondContact O-N 3.24Å; K271-I275 HydrophobicContact CG-CD1 4.09Å; K271-I275 VanDerWaalsContact O-CG1 3.3Å; K271-I275 WeakPolarHBondContact O-CG1 3.44Å; K271-I275 PolarHBondContact O-N 2.79Å
272L98.4Very high94.4Very high0 Ų061.1 Ų61.10%028%0.28CS..Hα-helixtrans-60.7-45.2174.2-69.4-174.7000111.8A202 T204 N242 D243 L246 I255 M268 G269 Q274 I275 S276A202-L272 HydrophobicContact CB-CD1 3.84Å; T204-L272 HydrophobicContact CG2-CD2 4.09Å; T204-L272 HydrophobicContact CG2-CG 4.34Å; N242-L272 HydrophobicContact CB-CD1 4.12Å; N242-L272 HydrophobicContact CB-CD2 4.04Å; D243-L272 HydrophobicContact CB-CD2 4.15Å; L246-L272 HydrophobicContact CD1-CB 4.06Å; L246-L272 HydrophobicContact CD1-CD1 4.15Å; L246-L272 HydrophobicContact CD1-CD2 3.92Å; L246-L272 HydrophobicContact CD1-CG 4.26Å; I255-L272 HydrophobicContact CD1-CB 4.06Å; M268-L272 WeakPolarHBondContact O-CG 3.47Å; M268-L272 PolarHBondContact O-N 3.03Å; G269-L272 PolarHBondContact O-N 3.1Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 3.29Å; L272-I275 HydrophobicContact CD2-CD1 4.5Å; L272-I275 WeakPolarHBondContact O-CB 3.22Å; L272-I275 PolarHBondContact O-N 2.89Å; L272-S276 PolarHBondContact O-N 3.45Å; L272-S276 PolarHBondContact O-OG 3.29Å; L272-S276 VanDerWaalsContact O-OG 3.14Å
273Y97.8Very high93.6Very high64 Ų6458.3 Ų58.325%0.25127%0.27SS..Hα-helixtrans-57.8-44.6176.2179.1-119.1000112.1G269 Q270 I275 S276 L277 V289 M291G269-Y273 PolarHBondContact O-N 2.88Å; Q270-Y273 PolarHBondContact O-N 2.59Å; Y273-I275 PolarHBondContact O-N 3.47Å; Y273-S276 PolarHBondContact O-N 3.25Å; Y273-L277 HydrophobicContact CD1-CD1 4.03Å; Y273-L277 HydrophobicContact CD2-CG 4.34Å; Y273-L277 HydrophobicContact CE1-CD1 3.54Å; Y273-L277 HydrophobicContact CE1-CG 4.29Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.16Å; Y273-L277 HydrophobicContact CE2-CG 4.04Å; Y273-L277 WeakPolarHBondContact O-CG 3.5Å; Y273-L277 PolarHBondContact O-N 2.74Å; Y273-V289 HydrophobicContact CD2-CG1 3.44Å; Y273-V289 VanDerWaalsContact CD2-CG1 3.44Å; Y273-V289 HydrophobicContact CE2-CG1 3.5Å; Y273-V289 VanDerWaalsContact CE2-CG1 3.5Å; Y273-M291 HydrophobicContact CD1-CB 4.17Å; Y273-M291 HydrophobicContact CD1-SD 4.1Å; Y273-M291 HydrophobicContact CD2-CB 3.48Å; Y273-M291 VanDerWaalsContact CD2-CB 3.48Å; Y273-M291 HydrophobicContact CE1-CB 4.41Å; Y273-M291 HydrophobicContact CE2-CB 3.74Å; Y273-M291 HydrophobicContact CG-CB 3.71Å; Y273-M291 HydrophobicContact CG-CG 4.41Å; Y273-M291 HydrophobicContact CG-SD 3.89Å
274Q97.1Very high92.5Very high107 Ų10763.1 Ų63.150%0.529%0.291SS..Hα-helixtrans-64.9-38.9176.7-67-55.3-39.700113.1Q270 K271 L272 R278Q270-Q274 WeakPolarHBondContact O-CG 3.41Å; Q270-Q274 PolarHBondContact O-N 3.47Å; K271-Q274 PolarHBondContact O-N 3.24Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 3.29Å; Q274-R278 WeakPolarHBondContact O-CB 3.37Å; Q274-R278 PolarHBondContact O-N 3.22Å; Q274-R278 VanDerWaalsContact O-N 3.09Å
275I96.8Very high91Very high31 Ų3165.4 Ų65.416%0.15931%0.305CS..Hα-helixtrans-60.1-49174.3-72.6166.2000109.9D243 L246 Q247 K271 L272 Y273 R278 A279D243-I275 HydrophobicContact CB-CD1 3.84Å; L246-I275 HydrophobicContact CB-CG2 4.4Å; Q247-I275 HydrophobicContact CG-CG2 3.58Å; K271-I275 HydrophobicContact CG-CD1 4.09Å; K271-I275 VanDerWaalsContact O-CG1 3.3Å; K271-I275 WeakPolarHBondContact O-CG1 3.44Å; K271-I275 PolarHBondContact O-N 2.79Å; L272-I275 HydrophobicContact CD2-CD1 4.5Å; L272-I275 WeakPolarHBondContact O-CB 3.22Å; L272-I275 PolarHBondContact O-N 2.89Å; Y273-I275 PolarHBondContact O-N 3.47Å; I275-R278 WeakPolarHBondContact O-CB 3.49Å; I275-R278 PolarHBondContact O-N 2.85Å; I275-A279 PolarHBondContact O-N 2.91Å
276S95.3Very high89.5Confident5 Ų568.8 Ų68.84%0.03533%0.329CS..Hα-helixtrans-66.9-40.4-178.2-59.50000112.9L253 L272 Y273 R278 A279 Q280L253-S276 VanDerWaalsContact CD2-OG 3.24Å; L253-S276 WeakPolarHBondContact CD2-OG 3.38Å; L272-S276 PolarHBondContact O-N 3.45Å; L272-S276 PolarHBondContact O-OG 3.29Å; L272-S276 VanDerWaalsContact O-OG 3.14Å; Y273-S276 PolarHBondContact O-N 3.25Å; S276-R278 VanDerWaalsContact C-N 3.26Å; S276-R278 PolarHBondContact O-N 3.37Å; S276-A279 PolarHBondContact O-N 2.91Å; S276-Q280 WeakPolarHBondContact O-CG 3.32Å; S276-Q280 PolarHBondContact O-N 3.22Å
277L93.7Very high87.9Confident31 Ų3174.2 Ų74.216%0.16236%0.36CS..Hα-helixtrans-60.8-36.2172.9-75.3-179000112.3Y273 R281 V289Y273-L277 HydrophobicContact CD1-CD1 4.03Å; Y273-L277 HydrophobicContact CD2-CG 4.34Å; Y273-L277 HydrophobicContact CE1-CD1 3.54Å; Y273-L277 HydrophobicContact CE1-CG 4.29Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.16Å; Y273-L277 HydrophobicContact CE2-CG 4.04Å; Y273-L277 WeakPolarHBondContact O-CG 3.5Å; Y273-L277 PolarHBondContact O-N 2.74Å; L277-R281 WeakPolarHBondContact O-CG 3.35Å; L277-R281 PolarHBondContact O-N 2.89Å; L277-V289 HydrophobicContact CD2-CB 4.34Å; L277-V289 HydrophobicContact CD2-CG1 4.08Å; L277-V289 HydrophobicContact CG-CG1 4.29Å
278R92.5Very high87.4Confident157 Ų15774.7 Ų74.759%0.59236%0.357SS*.Hα-helixtrans-67.5-47.9175.8-177.3179.7-178.3162.45.2111.2Q274 I275 S276 Q280 R281 E282Q274-R278 WeakPolarHBondContact O-CB 3.37Å; Q274-R278 PolarHBondContact O-N 3.22Å; Q274-R278 VanDerWaalsContact O-N 3.09Å; I275-R278 WeakPolarHBondContact O-CB 3.49Å; I275-R278 PolarHBondContact O-N 2.85Å; S276-R278 VanDerWaalsContact C-N 3.26Å; S276-R278 PolarHBondContact O-N 3.37Å; R278-Q280 VanDerWaalsContact C-N 3.28Å; R278-Q280 PolarHBondContact O-N 3.44Å; R278-R281 PolarHBondContact O-N 2.97Å; R278-E282 WeakPolarHBondContact CG-OE1 3.49Å; R278-E282 IonicContact NE-OE1 3.44Å; R278-E282 PolarHBondContact NE-OE1 3.32Å; R278-E282 VanDerWaalsContact NE-OE1 3.09Å; R278-E282 WeakPolarHBondContact O-CG 3.44Å; R278-E282 PolarHBondContact O-N 2.93Å
279A90.4Very high87.2Confident14 Ų1475 Ų7512%0.11636%0.36CS..Hα-helixtrans-57.6-41.8177.600000111.9Q247 I275 S276 R281 E282 S283Q247-A279 WeakPolarHBondContact O-CB 3.44Å; I275-A279 PolarHBondContact O-N 2.91Å; S276-A279 PolarHBondContact O-N 2.91Å; A279-R281 PolarHBondContact O-N 3.45Å; A279-E282 PolarHBondContact O-N 3.26Å; A279-S283 PolarHBondContact O-N 3.2Å; A279-S283 VanDerWaalsContact O-N 3.1Å; A279-S283 PolarHBondContact O-OG 2.8Å
280Q85.5Confident87.1Confident23 Ų2380.9 Ų80.911%0.10739%0.387CS..Hα-helixtrans-64.4-40.3177.7-77.1-169-1100114.5S276 R278 E282 S283 E284 V289S276-Q280 WeakPolarHBondContact O-CG 3.32Å; S276-Q280 PolarHBondContact O-N 3.22Å; R278-Q280 VanDerWaalsContact C-N 3.28Å; R278-Q280 PolarHBondContact O-N 3.44Å; Q280-E282 PolarHBondContact O-N 3.29Å; Q280-S283 WeakPolarHBondContact CA-OG 3.24Å; Q280-S283 PolarHBondContact O-N 2.99Å; Q280-S283 PolarHBondContact O-OG 3.35Å; Q280-E284 PolarHBondContact O-N 3.22Å; Q280-V289 HydrophobicContact CG-CG2 4.15Å; Q280-V289 VanDerWaalsContact NE2-N 3.16Å
281R84.6Confident87Confident164 Ų16478.3 Ų78.362%0.61938%0.375SS*.Hα-helixtrans-62.9-35.5175.3-76-173.9-67.8-106.5-0.3111.5L277 R278 A279 S283L277-R281 WeakPolarHBondContact O-CG 3.35Å; L277-R281 PolarHBondContact O-N 2.89Å; R278-R281 PolarHBondContact O-N 2.97Å; A279-R281 PolarHBondContact O-N 3.45Å; R281-S283 VanDerWaalsContact C-N 3.3Å
282E81.6Confident87Confident135 Ų13576.1 Ų76.163%0.63137%0.367SS*.Hα-helixtrans-73-23.7177.8-67.9171.3-171.200112R278 A279 Q280R278-E282 WeakPolarHBondContact CG-OE1 3.49Å; R278-E282 IonicContact NE-OE1 3.44Å; R278-E282 PolarHBondContact NE-OE1 3.32Å; R278-E282 VanDerWaalsContact NE-OE1 3.09Å; R278-E282 WeakPolarHBondContact O-CG 3.44Å; R278-E282 PolarHBondContact O-N 2.93Å; A279-E282 PolarHBondContact O-N 3.26Å; Q280-E282 PolarHBondContact O-N 3.29Å
283S76.1Confident87Confident65 Ų6578.6 Ų78.646%0.45539%0.385SS..THydrogen-bonded Turntrans-98.82.9179.2640000115.7A279 Q280 R281 T285A279-S283 PolarHBondContact O-N 3.2Å; A279-S283 VanDerWaalsContact O-N 3.1Å; A279-S283 PolarHBondContact O-OG 2.8Å; Q280-S283 WeakPolarHBondContact CA-OG 3.24Å; Q280-S283 PolarHBondContact O-N 2.99Å; Q280-S283 PolarHBondContact O-OG 3.35Å; R281-S283 VanDerWaalsContact C-N 3.3Å; S283-T285 PolarHBondContact O-N 3.37Å; S283-T285 PolarHBondContact OG-OG1 3.15Å; S283-T285 VanDerWaalsContact OG-OG1 3.05Å
284E72.2Confident87Confident189 Ų18975.8 Ų75.888%0.88337%0.374SS*.THydrogen-bonded Turntrans51.727.1-178.3-61.8-174.8175.900114.9Q280Q280-E284 PolarHBondContact O-N 3.22Å
285T65.2Low87Confident47 Ų4771.8 Ų71.829%0.28836%0.361SS..  trans-89.4141.3178.851.40000111.1S283S283-T285 PolarHBondContact O-N 3.37Å; S283-T285 PolarHBondContact OG-OG1 3.15Å; S283-T285 VanDerWaalsContact OG-OG1 3.05Å
286S63.4Low86.9Confident98 Ų9872.8 Ų72.869%0.68537%0.374SS*.  trans-53.9157.3172.7-178.60000112.7R288S286-R288 WeakPolarHBondContact O-CB 3.25Å; S286-R288 VanDerWaalsContact O-CG 3.26Å; S286-R288 WeakPolarHBondContact O-CG 3.45Å; S286-R288 PolarHBondContact O-N 2.82Å
287D65.8Low87Confident147 Ų14778.2 Ų78.279%0.78641%0.412SS*.SBendtrans-46.891.7-177.4-67.7-30.6000113
288R86.3Confident87.1Confident113 Ų11380.6 Ų80.643%0.42642%0.424SS..  trans-112.40.3-176.2-84.6174.1-171.9-160.33.5112.2P252 L253 S286P252-R288 CarbonylContact C-O 3.6Å; P252-R288 WeakPolarHBondContact CA-O 3.29Å; L253-R288 PolarHBondContact N-O 3.2Å; S286-R288 WeakPolarHBondContact O-CB 3.25Å; S286-R288 VanDerWaalsContact O-CG 3.26Å; S286-R288 WeakPolarHBondContact O-CG 3.45Å; S286-R288 PolarHBondContact O-N 2.82Å
289V94.3Very high87.3Confident10 Ų1075.5 Ų75.56%0.06142%0.42CS..EExtended strand (participates in β ladder)trans-118.7122.8-178.8161.80000109.4L253 Y273 L277 Q280L253-V289 HydrophobicContact CB-CG2 3.79Å; L253-V289 HydrophobicContact CD2-CG1 4.46Å; L253-V289 HydrophobicContact CD2-CG2 3.93Å; L253-V289 HydrophobicContact CG-CG2 4.35Å; L253-V289 WeakPolarHBondContact O-CA 3.39Å; Y273-V289 HydrophobicContact CD2-CG1 3.44Å; Y273-V289 VanDerWaalsContact CD2-CG1 3.44Å; Y273-V289 HydrophobicContact CE2-CG1 3.5Å; Y273-V289 VanDerWaalsContact CE2-CG1 3.5Å; L277-V289 HydrophobicContact CD2-CB 4.34Å; L277-V289 HydrophobicContact CD2-CG1 4.08Å; L277-V289 HydrophobicContact CG-CG1 4.29Å; Q280-V289 HydrophobicContact CG-CG2 4.15Å; Q280-V289 VanDerWaalsContact NE2-N 3.16Å
290Q95.6Very high87.5Confident123 Ų12375.1 Ų75.158%0.57542%0.417SS*.EExtended strand (participates in β ladder)trans-126.6148.8175.2-65.1-176.22.400110L253 L254 I255L253-Q290 PolarHBondContact O-N 3.46Å; L254-Q290 WeakPolarHBondContact CA-O 3.33Å; L254-Q290 HydrophobicContact CD1-CB 3.96Å; I255-Q290 PolarHBondContact N-O 3.12Å
291M96.9Very high88Confident35 Ų3575.5 Ų75.517%0.17242%0.422CS..EExtended strand (participates in β ladder)trans-130.2127.7170.6179.9177.2-177.500109.3I255 H257 F266 Q270 Y273I255-M291 HydrophobicContact CB-CB 4.26Å; I255-M291 HydrophobicContact CB-CG 4.15Å; I255-M291 HydrophobicContact CG2-CE 4.49Å; I255-M291 HydrophobicContact CG2-CG 4.12Å; I255-M291 CarbonylContact O-C 3.51Å; I255-M291 VanDerWaalsContact O-CA 3.3Å; I255-M291 WeakPolarHBondContact O-CA 3.39Å; H257-M291 HydrophobicContact CB-CE 4.1Å; F266-M291 HydrophobicContact CD2-CE 4.36Å; F266-M291 HydrophobicContact CE2-CE 3.56Å; F266-M291 HydrophobicContact CZ-CE 3.95Å; Q270-M291 HydrophobicContact CG-CE 3.99Å; Y273-M291 HydrophobicContact CD1-CB 4.17Å; Y273-M291 HydrophobicContact CD1-SD 4.1Å; Y273-M291 HydrophobicContact CD2-CB 3.48Å; Y273-M291 VanDerWaalsContact CD2-CB 3.48Å; Y273-M291 HydrophobicContact CE1-CB 4.41Å; Y273-M291 HydrophobicContact CE2-CB 3.74Å; Y273-M291 HydrophobicContact CG-CB 3.71Å; Y273-M291 HydrophobicContact CG-CG 4.41Å; Y273-M291 HydrophobicContact CG-SD 3.89Å
292I97.8Very high88.6Confident40 Ų4068.4 Ų68.421%0.20540%0.396CS..EExtended strand (participates in β ladder)trans-110.4121.2171-60.8173.8000107.3L254 I255 L256 H257 Y294 V314L254-I292 HydrophobicContact CD1-CD1 4.06Å; L254-I292 HydrophobicContact CD1-CG1 4.18Å; I255-I292 PolarHBondContact O-N 2.99Å; L256-I292 HydrophobicContact CD2-CB 3.77Å; L256-I292 HydrophobicContact CD2-CD1 4.11Å; L256-I292 HydrophobicContact CD2-CG1 4.32Å; L256-I292 HydrophobicContact CD2-CG2 4.48Å; H257-I292 PolarHBondContact N-O 3.4Å; H257-I292 VanDerWaalsContact N-O 3.11Å; I292-Y294 HydrophobicContact CG2-CE1 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.09Å; I292-V314 HydrophobicContact CD1-CB 4.16Å; I292-V314 HydrophobicContact CD1-CG1 3.42Å; I292-V314 VanDerWaalsContact CD1-CG1 3.42Å; I292-V314 HydrophobicContact CD1-CG2 3.61Å
293S97.5Very high89.2Confident53 Ų5363.2 Ų63.237%0.37137%0.374SS..EExtended strand (participates in β ladder)trans-105.4127178.4-53.50000108.8H257 F266H257-S293 CarbonylContact O-C 3.55Å; H257-S293 WeakPolarHBondContact O-CA 3.29Å; F266-S293 WeakPolarHBondContact CE2-OG 3.4Å; F266-S293 WeakPolarHBondContact CZ-OG 3.4Å
294Y97.7Very high90.2Very high5 Ų564.2 Ų64.22%0.0237%0.372CS..EExtended strand (participates in β ladder)trans-96.7120.3177.4-63.4-79.1000110.1L256 H257 E259 I292 L298 L300 I305 A308 D310L256-Y294 HydrophobicContact CB-CE2 4.27Å; L256-Y294 HydrophobicContact CD2-CE2 4.33Å; H257-Y294 PolarHBondContact O-N 3.45Å; E259-Y294 WeakPolarHBondContact CG-O 3.29Å; E259-Y294 PolarHBondContact N-O 3.45Å; I292-Y294 HydrophobicContact CG2-CE1 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.09Å; Y294-L298 HydrophobicContact CD1-CD1 4.17Å; Y294-L300 VanDerWaalsContact CB-CD1 3.49Å; Y294-L300 HydrophobicContact CD1-CD1 3.93Å; Y294-L300 HydrophobicContact CD2-CD1 4.28Å; Y294-L300 HydrophobicContact CG-CD1 3.64Å; Y294-I305 HydrophobicContact CD2-CD1 4.13Å; Y294-I305 HydrophobicContact CD2-CG1 4.07Å; Y294-I305 HydrophobicContact CD2-CG2 4.12Å; Y294-I305 HydrophobicContact CE2-CD1 4.34Å; Y294-I305 HydrophobicContact CE2-CG1 4.32Å; Y294-I305 HydrophobicContact CE2-CG2 3.52Å; Y294-A308 HydrophobicContact CD1-CB 3.81Å; Y294-A308 HydrophobicContact CE1-CB 3.46Å; Y294-A308 VanDerWaalsContact CE1-CB 3.46Å; Y294-D310 WeakPolarHBondContact CE1-OD1 3.46Å
295G97.1Very high91.3Very high23 Ų2355.3 Ų55.324%0.23733%0.33CS..  trans-59.2142.8-176.600000112.9E259 S297 L298E259-G295 WeakPolarHBondContact OE2-CA 3.48Å; G295-S297 PolarHBondContact O-N 3.45Å; G295-L298 WeakPolarHBondContact O-CB 3.49Å; G295-L298 PolarHBondContact O-N 3.06Å
296A96.1Very high92.6Very high51 Ų5153.4 Ų53.442%0.42132%0.319SS..G310 helixtrans-57.1-23-176.500000114.2E259 D260 L298 G299E259-A296 HydrophobicContact CB-CB 4.1Å; E259-A296 PolarHBondContact OE2-N 3.09Å; D260-A296 HydrophobicContact CB-CB 3.96Å; A296-L298 PolarHBondContact O-N 2.97Å; A296-G299 PolarHBondContact O-N 2.98Å
297S96.8Very high94.1Very high119 Ų11952.1 Ų52.183%0.83231%0.309SS*.G310 helixtrans-64.6-18.9176.854.70000114.1G295 G299G295-S297 PolarHBondContact O-N 3.45Å; S297-G299 VanDerWaalsContact C-N 3.34Å
298L95.6Very high95.5Very high81 Ų8145.5 Ų45.542%0.42428%0.275SS..G310 helixtrans-78.7-16.7178.1-64.9174.9000113.1Y294 G295 A296 L300Y294-L298 HydrophobicContact CD1-CD1 4.17Å; G295-L298 WeakPolarHBondContact O-CB 3.49Å; G295-L298 PolarHBondContact O-N 3.06Å; A296-L298 PolarHBondContact O-N 2.97Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 HydrophobicContact CB-CD1 4.12Å; L298-L300 HydrophobicContact CB-CD2 4.05Å; L298-L300 HydrophobicContact CB-CG 3.71Å; L298-L300 HydrophobicContact CD1-CD1 4.17Å; L298-L300 PolarHBondContact O-N 3.32Å
299G96Very high95.8Very high50 Ų5045.1 Ų45.152%0.51529%0.288SS..  trans6428.417600000114.6D260 A296 S297D260-G299 VanDerWaalsContact OD2-C 3.3Å; D260-G299 VanDerWaalsContact OD2-CA 3.26Å; D260-G299 WeakPolarHBondContact OD2-CA 3.49Å; A296-G299 PolarHBondContact O-N 2.98Å; S297-G299 VanDerWaalsContact C-N 3.34Å
300L95.9Very high95.8Very high7 Ų747.5 Ų47.54%0.03730%0.3CS..  trans-75.5-33-174.3-52.9178.1000111.6A258 D260 Y294 L298 H304 I305 A308A258-L300 HydrophobicContact CB-CB 4.15Å; D260-L300 PolarHBondContact OD2-N 3.4Å; Y294-L300 VanDerWaalsContact CB-CD1 3.49Å; Y294-L300 HydrophobicContact CD1-CD1 3.93Å; Y294-L300 HydrophobicContact CD2-CD1 4.28Å; Y294-L300 HydrophobicContact CG-CD1 3.64Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 HydrophobicContact CB-CD1 4.12Å; L298-L300 HydrophobicContact CB-CD2 4.05Å; L298-L300 HydrophobicContact CB-CG 3.71Å; L298-L300 HydrophobicContact CD1-CD1 4.17Å; L298-L300 PolarHBondContact O-N 3.32Å; L300-H304 WeakPolarHBondContact CD2-O 3.18Å; L300-H304 WeakPolarHBondContact O-CA 3.48Å; L300-H304 WeakPolarHBondContact O-CB 3.4Å; L300-H304 PolarHBondContact O-N 3.49Å; L300-H304 VanDerWaalsContact O-N 3.08Å; L300-H304 PolarHBondContact O-ND1 3.14Å; L300-I305 HydrophobicContact CD1-CG1 4.42Å; L300-A308 HydrophobicContact CD1-CB 3.84Å
301S95.9Very high95.7Very high31 Ų3141.7 Ų41.722%0.21727%0.273CS..THydrogen-bonded Turntrans50.2-152.3-177.2-157.50000112.7A258 D260 S303A258-S301 WeakPolarHBondContact CB-O 3.49Å; D260-S301 VanDerWaalsContact CG-N 3.33Å; D260-S301 PolarHBondContact O-OG 2.88Å; D260-S301 WeakPolarHBondContact OD1-CA 3.2Å; D260-S301 PolarHBondContact OD1-N 3.44Å; D260-S301 PolarHBondContact OD2-N 3.46Å; D260-S301 VanDerWaalsContact OD2-N 3.09Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å
302H96.7Very high95.4Very high15 Ų1541.9 Ų41.97%0.06928%0.28CS..THydrogen-bonded Turntrans-68.8-22.8-171.1-171.256000115.5H173 S174 D261 I263H173-H302 PolarHBondContact NE2-O 3.1Å; S174-H302 VanDerWaalsContact CB-NE2 3.27Å; S174-H302 WeakPolarHBondContact CB-NE2 3.4Å; S174-H302 PolarHBondContact OG-CE1 3.12Å; S174-H302 VanDerWaalsContact OG-CE1 3.26Å; S174-H302 PolarHBondContact OG-NE2 3.01Å; D261-H302 VanDerWaalsContact CG-ND1 3.35Å; D261-H302 WeakPolarHBondContact OD1-CB 3.43Å; D261-H302 IonicContact OD1-CG 3.65Å; D261-H302 IonicContact OD1-ND1 2.71Å; D261-H302 PolarHBondContact OD1-ND1 3.38Å; D261-H302 IonicContact OD2-CE1 3.58Å; D261-H302 IonicContact OD2-CG 3.58Å; D261-H302 IonicContact OD2-ND1 3.65Å; D261-H302 PolarHBondContact OD2-ND1 2.89Å; I263-H302 HydrophobicContact CB-CB 3.99Å; I263-H302 HydrophobicContact CG1-CB 3.77Å
303S95.4Very high95.1Very high26 Ų2644.8 Ų44.818%0.18230%0.296CS..THydrogen-bonded Turntrans-134.61.2-164-53.30000115.1H113 S301H113-S303 WeakPolarHBondContact CB-O 3.35Å; H113-S303 PolarHBondContact CD2-O 2.93Å; H113-S303 VanDerWaalsContact CG-O 3.3Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å
304H95.6Very high94.9Very high86 Ų8644.1 Ų44.140%0.39829%0.29SS..  trans-116.926.9-175.5-44.890000112.8L300 S306 S307L300-H304 WeakPolarHBondContact CD2-O 3.18Å; L300-H304 WeakPolarHBondContact O-CA 3.48Å; L300-H304 WeakPolarHBondContact O-CB 3.4Å; L300-H304 PolarHBondContact O-N 3.49Å; L300-H304 VanDerWaalsContact O-N 3.08Å; L300-H304 PolarHBondContact O-ND1 3.14Å; H304-S306 PolarHBondContact O-N 3.32Å; H304-S307 WeakPolarHBondContact O-CA 3.36Å; H304-S307 VanDerWaalsContact O-CB 3.3Å; H304-S307 WeakPolarHBondContact O-CB 3.29Å; H304-S307 PolarHBondContact O-N 2.99Å
305I95.9Very high94.5Very high1 Ų144.5 Ų44.51%0.00529%0.292CS..G310 helixtrans-58.8-29.2168.9-70.8175000110.5E200 L256 A258 Y294 L300 S307 A308 L311E200-I305 HydrophobicContact CG-CB 4.35Å; E200-I305 HydrophobicContact CG-CD1 3.87Å; L256-I305 HydrophobicContact CB-CD1 4.31Å; L256-I305 HydrophobicContact CD1-CG2 4.41Å; A258-I305 HydrophobicContact CB-CD1 4.43Å; A258-I305 HydrophobicContact CB-CG1 4.33Å; Y294-I305 HydrophobicContact CD2-CD1 4.13Å; Y294-I305 HydrophobicContact CD2-CG1 4.07Å; Y294-I305 HydrophobicContact CD2-CG2 4.12Å; Y294-I305 HydrophobicContact CE2-CD1 4.34Å; Y294-I305 HydrophobicContact CE2-CG1 4.32Å; Y294-I305 HydrophobicContact CE2-CG2 3.52Å; L300-I305 HydrophobicContact CD1-CG1 4.42Å; I305-S307 PolarHBondContact O-N 3.47Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.84Å; I305-L311 HydrophobicContact CG2-CD1 4.28Å; I305-L311 HydrophobicContact CG2-CD2 4.48Å; I305-L311 WeakPolarHBondContact O-CD2 3.44Å
306S93.5Very high93.8Very high8 Ų853.3 Ų53.36%0.05632%0.318CS..G310 helixtrans-54.6-19168.261.50000114.6I120 H304I120-S306 WeakPolarHBondContact CD1-O 3.46Å; H304-S306 PolarHBondContact O-N 3.32Å
307S94.3Very high93.7Very high70 Ų7053.5 Ų53.549%0.4931%0.313SS..G310 helixtrans-94.80.9176.2-57.10000113.5H304 I305H304-S307 WeakPolarHBondContact O-CA 3.36Å; H304-S307 VanDerWaalsContact O-CB 3.3Å; H304-S307 WeakPolarHBondContact O-CB 3.29Å; H304-S307 PolarHBondContact O-N 2.99Å; I305-S307 PolarHBondContact O-N 3.47Å
308A95.3Very high93.5Very high8 Ų850 Ų507%0.06629%0.286CS..  trans-66.1135.7176.900000110.7Y294 L300 I305 D310 L311Y294-A308 HydrophobicContact CD1-CB 3.81Å; Y294-A308 HydrophobicContact CE1-CB 3.46Å; Y294-A308 VanDerWaalsContact CE1-CB 3.46Å; L300-A308 HydrophobicContact CD1-CB 3.84Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.84Å; A308-D310 VanDerWaalsContact C-N 3.26Å; A308-D310 PolarHBondContact O-N 3.24Å; A308-L311 HydrophobicContact CB-CB 4.22Å; A308-L311 PolarHBondContact O-N 2.93Å
309P91.9Very high93.4Very high106 Ų10648.3 Ų48.369%0.68828%0.278SS*.THydrogen-bonded Turntrans-66.5-27.7-172.126.7-34.9000113.5
310D93.9Very high93.3Very high60 Ų6048.2 Ų48.232%0.32126%0.264SS..THydrogen-bonded Turntrans-97.7-7-176.960.4-39.8000113.3Y294 A308 A312 D313 V314Y294-D310 WeakPolarHBondContact CE1-OD1 3.46Å; A308-D310 VanDerWaalsContact C-N 3.26Å; A308-D310 PolarHBondContact O-N 3.24Å; D310-A312 PolarHBondContact O-N 3.16Å; D310-A312 VanDerWaalsContact O-N 3.15Å; D310-D313 PolarHBondContact O-N 3.43Å; D310-V314 WeakPolarHBondContact O-CG2 3.39Å; D310-V314 PolarHBondContact O-N 3.42Å
311L93.8Very high93.1Very high0 Ų050.8 Ų50.80%028%0.279CS..Hα-helixtrans-56.8-38.5-176-176.266.7000112L117 I120 W171 L256 I305 A308 D313 V314 V315L117-L311 HydrophobicContact CD1-CD2 3.97Å; I120-L311 HydrophobicContact CD1-CD2 4.15Å; W171-L311 HydrophobicContact CH2-CD1 4.24Å; L256-L311 HydrophobicContact CD1-CD1 3.95Å; I305-L311 HydrophobicContact CG2-CD1 4.28Å; I305-L311 HydrophobicContact CG2-CD2 4.48Å; I305-L311 WeakPolarHBondContact O-CD2 3.44Å; A308-L311 HydrophobicContact CB-CB 4.22Å; A308-L311 PolarHBondContact O-N 2.93Å; L311-D313 PolarHBondContact O-N 2.92Å; L311-V314 PolarHBondContact O-N 3.14Å; L311-V315 HydrophobicContact CD1-CG1 3.89Å; L311-V315 HydrophobicContact CG-CG1 4.16Å; L311-V315 WeakPolarHBondContact O-CG1 3.31Å; L311-V315 VanDerWaalsContact O-CG2 3.31Å; L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.69Å
312A91.3Very high92.9Very high39 Ų3952.1 Ų52.132%0.32228%0.283SS..Hα-helixtrans-62.1-28.1178.300000113.3I120 D310 R316I120-A312 HydrophobicContact CG2-CB 4.31Å; D310-A312 PolarHBondContact O-N 3.16Å; D310-A312 VanDerWaalsContact O-N 3.15Å; A312-R316 WeakPolarHBondContact O-CD 3.38Å; A312-R316 VanDerWaalsContact O-CG 3.29Å; A312-R316 WeakPolarHBondContact O-CG 3.45Å
313D92.1Very high92.7Very high102 Ų10254.7 Ų54.755%0.54530%0.298SS..Hα-helixtrans-87.2-34.2176-65.8-35.8000111.4D310 L311 V315 R316D310-D313 PolarHBondContact O-N 3.43Å; L311-D313 PolarHBondContact O-N 2.92Å; D313-V315 VanDerWaalsContact C-N 3.28Å; D313-V315 PolarHBondContact O-N 2.94Å; D313-R316 PolarHBondContact O-N 3.49Å; D313-R316 IonicContact OD1-CZ 3.57Å; D313-R316 IonicContact OD1-NH1 3.97Å; D313-R316 PolarHBondContact OD1-NH1 3.35Å
314V91.7Very high92.4Very high39 Ų3956.9 Ų56.924%0.23631%0.307CS..Hα-helixtrans-61.3-37.3174.3167.50000112.2L254 L256 I292 D310 L311L254-V314 HydrophobicContact CD2-CG1 4.03Å; L256-V314 HydrophobicContact CD2-CG1 4.23Å; I292-V314 HydrophobicContact CD1-CB 4.16Å; I292-V314 HydrophobicContact CD1-CG1 3.42Å; I292-V314 VanDerWaalsContact CD1-CG1 3.42Å; I292-V314 HydrophobicContact CD1-CG2 3.61Å; D310-V314 WeakPolarHBondContact O-CG2 3.39Å; D310-V314 PolarHBondContact O-N 3.42Å; L311-V314 PolarHBondContact O-N 3.14Å
315V89.6Confident92.2Very high12 Ų1254.5 Ų54.57%0.07330%0.299CS..THydrogen-bonded Turntrans-89.41.6-176.8-56.90000113.8I120 L121 A124 Y126 W171 L311 D313I120-V315 HydrophobicContact CG2-CG2 4.13Å; L121-V315 HydrophobicContact CD2-CB 4.05Å; L121-V315 HydrophobicContact CD2-CG1 4.06Å; L121-V315 HydrophobicContact CD2-CG2 4.13Å; A124-V315 HydrophobicContact CB-CG2 3.99Å; Y126-V315 WeakPolarHBondContact CE2-O 3.4Å; Y126-V315 VanDerWaalsContact CZ-O 3.26Å; Y126-V315 PolarHBondContact OH-O 3.26Å; W171-V315 HydrophobicContact CH2-CG1 3.71Å; W171-V315 HydrophobicContact CZ3-CG1 3.68Å; L311-V315 HydrophobicContact CD1-CG1 3.89Å; L311-V315 HydrophobicContact CG-CG1 4.16Å; L311-V315 WeakPolarHBondContact O-CG1 3.31Å; L311-V315 VanDerWaalsContact O-CG2 3.31Å; L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.69Å; D313-V315 VanDerWaalsContact C-N 3.28Å; D313-V315 PolarHBondContact O-N 2.94Å
316R83.1Confident91.9Very high209 Ų20959.4 Ų59.479%0.78933%0.326SS*.  trans-89.20177.7-84.1172.1179.7158.2-1.7112.1A124 A312 D313A124-R316 HydrophobicContact CB-CG 4.29Å; A312-R316 WeakPolarHBondContact O-CD 3.38Å; A312-R316 VanDerWaalsContact O-CG 3.29Å; A312-R316 WeakPolarHBondContact O-CG 3.45Å; D313-R316 PolarHBondContact O-N 3.49Å; D313-R316 IonicContact OD1-CZ 3.57Å; D313-R316 IonicContact OD1-NH1 3.97Å; D313-R316 PolarHBondContact OD1-NH1 3.35Å

Retrieved 316 of 316 residues in 1137 ms (Link to these results)

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