A0A077Z2L1_TRITR Loading...

Heterogeneous nuclear ribonucleoprotein A1

AlphaFold DB , UniProt , Accession A0A077Z2L1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 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
1M58.7Low78.7Confident120 Ų12087.5 Ų87.559%0.59144%0.44SS*.  0131.80-76.8-163.7-88.200107.7Q5 P88M1-Q5 HydrophobicContact CB-CB 4.3Å; M1-P88 HydrophobicContact CE-CB 3.71Å; M1-P88 HydrophobicContact CE-CG 3.49Å; M1-P88 VanDerWaalsContact CE-CG 3.49Å; M1-P88 HydrophobicContact SD-CB 3.95Å; M1-P88 HydrophobicContact SD-CG 4.11Å
2S68.2Low80.2Confident62 Ų6283.3 Ų83.343%0.43442%0.417SS..  trans-66.9160.217058.30000110.3L4 Q5 K6S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 2.91Å; S2-Q5 PolarHBondContact O-N 3.13Å; S2-Q5 VanDerWaalsContact O-N 3.13Å; S2-Q5 VanDerWaalsContact OG-CG 3.3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.32Å; S2-Q5 PolarHBondContact OG-N 2.8Å; S2-K6 PolarHBondContact O-N 3.47Å; S2-K6 VanDerWaalsContact O-N 3.11Å
3T72.7Confident81.4Confident105 Ų10576.8 Ų76.864%0.64439%0.385SS*.Hα-helixtrans-54.6-43.1177.6-490000111.6Q5 K6 E7T3-Q5 PolarHBondContact O-N 3.37Å; T3-K6 WeakPolarHBondContact O-CB 3.5Å; T3-K6 PolarHBondContact O-N 3.45Å; T3-K6 VanDerWaalsContact O-N 3.08Å; T3-E7 WeakPolarHBondContact O-CG 3.24Å; T3-E7 PolarHBondContact O-N 2.59Å
4L73.8Confident82.4Confident128 Ų12874 Ų7467%0.6737%0.369SS*.Hα-helixtrans-61-40.4177.5-63.7174.4000113.1S2 K6 E7 E8S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 2.91Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.83Å; L4-E7 PolarHBondContact O-N 3.41Å; L4-E8 PolarHBondContact O-N 3.46Å
5Q75Confident83.4Confident104 Ų10469.1 Ų69.149%0.48634%0.344SS..Hα-helixtrans-65.9-35.6175.6-74.9173.2-16.200111.7M1 S2 T3 Q9M1-Q5 HydrophobicContact CB-CB 4.3Å; S2-Q5 PolarHBondContact O-N 3.13Å; S2-Q5 VanDerWaalsContact O-N 3.13Å; S2-Q5 VanDerWaalsContact OG-CG 3.3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.32Å; S2-Q5 PolarHBondContact OG-N 2.8Å; T3-Q5 PolarHBondContact O-N 3.37Å; Q5-Q9 VanDerWaalsContact O-CB 3.22Å; Q5-Q9 WeakPolarHBondContact O-CB 3.38Å; Q5-Q9 PolarHBondContact O-N 2.95Å
6K75.6Confident84.1Confident103 Ų10365.2 Ų65.245%0.44833%0.327SS..Hα-helixtrans-68.1-39.7176.3-169.5-179.8179.8-175.90111.1S2 T3 L4 Q9 N10S2-K6 PolarHBondContact O-N 3.47Å; S2-K6 VanDerWaalsContact O-N 3.11Å; T3-K6 WeakPolarHBondContact O-CB 3.5Å; T3-K6 PolarHBondContact O-N 3.45Å; T3-K6 VanDerWaalsContact O-N 3.08Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.83Å; K6-Q9 WeakPolarHBondContact O-CB 3.47Å; K6-Q9 PolarHBondContact O-N 3.49Å; K6-N10 VanDerWaalsContact O-CG 3.29Å; K6-N10 PolarHBondContact O-N 3.38Å; K6-N10 VanDerWaalsContact O-N 3.11Å; K6-N10 PolarHBondContact O-ND2 3.23Å
7E80.4Confident84.7Confident99 Ų9963.2 Ų63.246%0.46333%0.327SS..Hα-helixtrans-66.7-46.3176.6-72.3169.8-175.900112.1T3 L4 Q9 N10 R11T3-E7 WeakPolarHBondContact O-CG 3.24Å; T3-E7 PolarHBondContact O-N 2.59Å; L4-E7 PolarHBondContact O-N 3.41Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 2.75Å; E7-N10 PolarHBondContact O-N 3.15Å; E7-R11 WeakPolarHBondContact O-CG 3.46Å; E7-R11 PolarHBondContact O-N 3.32Å; E7-R11 PolarHBondContact O-NE 3.26Å
8E87.5Confident85.4Confident85 Ų8559.9 Ų59.940%0.39731%0.31SS..Hα-helixtrans-59.7-42.1173.2-168.5-167.7149.500111.2L4 N10 R11 K12 T58L4-E8 PolarHBondContact O-N 3.46Å; E8-N10 VanDerWaalsContact C-N 3.29Å; E8-N10 PolarHBondContact O-N 2.86Å; E8-R11 PolarHBondContact O-N 2.83Å; E8-K12 PolarHBondContact O-N 2.8Å; E8-K12 IonicContact OE1-NZ 2.99Å; E8-T58 HydrophobicContact CG-CG2 4.17Å
9Q88.3Confident85.9Confident28 Ų2858.2 Ų58.213%0.13130%0.302CS..Hα-helixtrans-59.2-39.9179.1-173.864.177.800112.8Q5 K6 E7 R11 K12 A86 P88 L161Q5-Q9 VanDerWaalsContact O-CB 3.22Å; Q5-Q9 WeakPolarHBondContact O-CB 3.38Å; Q5-Q9 PolarHBondContact O-N 2.95Å; K6-Q9 WeakPolarHBondContact O-CB 3.47Å; K6-Q9 PolarHBondContact O-N 3.49Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 2.75Å; Q9-R11 PolarHBondContact O-N 3.5Å; Q9-K12 PolarHBondContact O-N 3.33Å; Q9-A86 VanDerWaalsContact NE2-CB 3.26Å; Q9-A86 PolarHBondContact NE2-O 3.37Å; Q9-P88 HydrophobicContact CG-CG 3.97Å; Q9-P88 VanDerWaalsContact OE1-CA 3.25Å; Q9-L161 HydrophobicContact CG-CD2 4.1Å
10N91.3Very high86.3Confident60 Ų6060.6 Ų60.632%0.32132%0.315SS..Hα-helixtrans-69.9-19.3179.1-71.6-14.7000113.1K6 E7 E8 P62K6-N10 VanDerWaalsContact O-CG 3.29Å; K6-N10 PolarHBondContact O-N 3.38Å; K6-N10 VanDerWaalsContact O-N 3.11Å; K6-N10 PolarHBondContact O-ND2 3.23Å; E7-N10 PolarHBondContact O-N 3.15Å; E8-N10 VanDerWaalsContact C-N 3.29Å; E8-N10 PolarHBondContact O-N 2.86Å; N10-P62 HydrophobicContact CB-CB 4.43Å
11R94.7Very high86.7Confident68 Ų6866.4 Ų66.426%0.25734%0.338SS..THydrogen-bonded Turntrans-96.1-0.7178.4-63.3-174.4-66.6162.15.2113.5E7 E8 Q9 T58 Y59 A60 P62 V65E7-R11 WeakPolarHBondContact O-CG 3.46Å; E7-R11 PolarHBondContact O-N 3.32Å; E7-R11 PolarHBondContact O-NE 3.26Å; E8-R11 PolarHBondContact O-N 2.83Å; Q9-R11 PolarHBondContact O-N 3.5Å; R11-T58 HydrophobicContact CB-CG2 4.21Å; R11-T58 WeakPolarHBondContact O-CA 3.41Å; R11-Y59 WeakPolarHBondContact CB-O 3.3Å; R11-Y59 WeakPolarHBondContact CD-O 3.05Å; R11-Y59 PolarHBondContact O-N 3.31Å; R11-A60 WeakPolarHBondContact CD-O 3.22Å; R11-A60 PolarHBondContact NH1-O 3.42Å; R11-P62 HydrophobicContact CG-CB 4.23Å; R11-V65 VanDerWaalsContact C-CG2 3.46Å; R11-V65 WeakPolarHBondContact O-CG2 3.28Å
12K95.8Very high88.4Confident37 Ų3760.7 Ų60.716%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-107.7129.4-171.5-165.4169.9-162.4138.70112.7E8 Q9 F56 V57 T58 A86E8-K12 PolarHBondContact O-N 2.8Å; E8-K12 IonicContact OE1-NZ 2.99Å; Q9-K12 PolarHBondContact O-N 3.33Å; K12-F56 HydrophobicContact CD-CD1 4.36Å; K12-F56 HydrophobicContact CG-CB 4.44Å; K12-F56 HydrophobicContact CG-CD1 4.28Å; K12-V57 CarbonylContact C-O 3.58Å; K12-V57 WeakPolarHBondContact CA-O 3.45Å; K12-T58 HydrophobicContact CB-CG2 4.41Å; K12-A86 HydrophobicContact CB-CB 3.89Å; K12-A86 HydrophobicContact CD-CB 4.18Å; K12-A86 HydrophobicContact CG-CB 3.72Å; K12-A86 VanDerWaalsContact O-CB 3.31Å; K12-A86 WeakPolarHBondContact O-CB 3.14Å; K12-A86 PolarHBondContact O-N 3.13Å
13I96Very high89.7Confident0 Ų059.7 Ų59.70%030%0.301CS..EExtended strand (participates in β ladder)trans-107.3134.5174.5-58.1-170.1000109.2I15 F56 V57 Y59 V65 A68 M69 P83 K84I13-I15 HydrophobicContact CG2-CG1 4.03Å; I13-F56 WeakPolarHBondContact O-CA 3.49Å; I13-V57 PolarHBondContact N-O 2.99Å; I13-V57 PolarHBondContact O-N 2.95Å; I13-Y59 HydrophobicContact CD1-CD2 4.34Å; I13-Y59 HydrophobicContact CD1-CE2 3.7Å; I13-Y59 HydrophobicContact CG1-CE2 4.33Å; I13-V65 HydrophobicContact CD1-CB 4.33Å; I13-V65 HydrophobicContact CD1-CG1 3.88Å; I13-V65 HydrophobicContact CD1-CG2 4.35Å; I13-V65 HydrophobicContact CG1-CB 4.36Å; I13-V65 HydrophobicContact CG1-CG1 3.76Å; I13-V65 HydrophobicContact CG1-CG2 4.02Å; I13-A68 HydrophobicContact CD1-CB 3.9Å; I13-M69 HydrophobicContact CD1-SD 4.42Å; I13-P83 HydrophobicContact CG2-CB 3.9Å; I13-K84 CarbonylContact C-O 3.59Å; I13-K84 WeakPolarHBondContact CA-O 3.5Å; I13-K84 WeakPolarHBondContact CG2-O 3.02Å
14F96Very high90.9Very high37 Ų3757 Ų5716%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-88.1131.8163167.1-91.2000109F54 F56 P83 K84 A86F14-F54 HydrophobicContact CD2-CD2 4.04Å; F14-F54 HydrophobicContact CE2-CB 3.8Å; F14-F54 AromaticContact CE2-CD2 3.39Å; F14-F54 HydrophobicContact CE2-CD2 3.39Å; F14-F54 HydrophobicContact CE2-CE2 4.1Å; F14-F54 AromaticContact CE2-CG 3.8Å; F14-F54 HydrophobicContact CE2-CG 3.8Å; F14-F54 HydrophobicContact CZ-CB 3.9Å; F14-F54 HydrophobicContact CZ-CD2 4.29Å; F14-F54 HydrophobicContact CZ-CG 4.26Å; F14-F56 HydrophobicContact CB-CD1 4.13Å; F14-F56 HydrophobicContact CB-CE1 3.88Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.78Å; F14-F56 HydrophobicContact CD2-CE1 3.78Å; F14-F56 AromaticContact CD2-CZ 3.85Å; F14-F56 HydrophobicContact CD2-CZ 3.85Å; F14-F56 HydrophobicContact CG-CE1 4.34Å; F14-P83 CarbonylContact O-C 3.54Å; F14-P83 WeakPolarHBondContact O-CA 3.39Å; F14-K84 HydrophobicContact CD1-CB 4.25Å; F14-K84 PolarHBondContact N-O 2.87Å; F14-K84 PolarHBondContact O-N 3.33Å; F14-A86 HydrophobicContact CB-CB 4.49Å
15I96.5Very high91.9Very high0 Ų057 Ų570%028%0.28CS..EExtended strand (participates in β ladder)trans-117.9101.9-179.4-53156.6000107.9I13 I18 L27 Y31 F54 G55 V57 V81I13-I15 HydrophobicContact CG2-CG1 4.03Å; I15-I18 HydrophobicContact CB-CG2 4.5Å; I15-I18 HydrophobicContact CG2-CG2 3.64Å; I15-L27 HydrophobicContact CD1-CD1 4.1Å; I15-L27 HydrophobicContact CD1-CD2 4.17Å; I15-Y31 HydrophobicContact CD1-CD2 3.67Å; I15-Y31 HydrophobicContact CD1-CE1 4.43Å; I15-Y31 HydrophobicContact CD1-CE2 3.2Å; I15-Y31 HydrophobicContact CD1-CG 4.47Å; I15-Y31 HydrophobicContact CG1-CE2 3.8Å; I15-Y31 HydrophobicContact CG2-CE2 4.15Å; I15-F54 CarbonylContact O-C 3.56Å; I15-F54 WeakPolarHBondContact O-CA 3.49Å; I15-F54 WeakPolarHBondContact O-CB 3.23Å; I15-G55 PolarHBondContact N-O 3.2Å; I15-G55 PolarHBondContact O-N 2.56Å; I15-V57 HydrophobicContact CD1-CB 4Å; I15-V57 HydrophobicContact CD1-CG2 3.42Å; I15-V57 VanDerWaalsContact CD1-CG2 3.42Å; I15-V81 HydrophobicContact CG2-CB 4Å; I15-V81 HydrophobicContact CG2-CG2 3.96Å
16G95.4Very high93Very high7 Ų754.6 Ų54.67%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-86.9153.7176.800000112.2I18 V81 E82G16-I18 PolarHBondContact O-N 2.92Å; G16-V81 WeakPolarHBondContact O-CB 3.47Å; G16-E82 PolarHBondContact N-O 3.47Å; G16-E82 PolarHBondContact O-N 2.88Å
17G94.4Very high94Very high31 Ų3149.7 Ų49.732%0.3225%0.248SC..SBendtrans80.213.1167.500000115.3G53 K79G17-G53 PolarHBondContact N-O 3.22Å; G17-K79 VanDerWaalsContact O-CD 3.23Å; G17-K79 WeakPolarHBondContact O-CD 3.31Å; G17-K79 WeakPolarHBondContact O-CE 3.38Å; G17-K79 PolarHBondContact O-NZ 2.69Å
18I96.1Very high94.8Very high4 Ų450 Ų502%0.02125%0.248CC..  trans-60.9160.2172.962.8173.4000111.1I15 G16 T22 L27 V42 G53 V81I15-I18 HydrophobicContact CB-CG2 4.5Å; I15-I18 HydrophobicContact CG2-CG2 3.64Å; G16-I18 PolarHBondContact O-N 2.92Å; I18-T22 HydrophobicContact CB-CG2 4.21Å; I18-T22 HydrophobicContact CD1-CG2 4.45Å; I18-L27 HydrophobicContact CD1-CD1 4.47Å; I18-L27 HydrophobicContact CG2-CD2 4.03Å; I18-V42 HydrophobicContact CD1-CB 4.46Å; I18-V42 HydrophobicContact CD1-CG1 3.77Å; I18-V42 HydrophobicContact CD1-CG2 4.01Å; I18-G53 WeakPolarHBondContact CG1-O 3.46Å; I18-G53 PolarHBondContact N-O 3.21Å; I18-V81 HydrophobicContact CG2-CG1 3.86Å
19T95.8Very high95.2Very high27 Ų2753.1 Ų53.117%0.16626%0.263CS..  trans-73.3161.3176.380.60000110.2K21 T22 D77 K79T19-K21 PolarHBondContact O-N 3.27Å; T19-K21 PolarHBondContact OG1-N 3.48Å; T19-T22 PolarHBondContact N-OG1 3.03Å; T19-T22 VanDerWaalsContact N-OG1 3.09Å; T19-T22 PolarHBondContact O-N 2.96Å; T19-T22 PolarHBondContact O-OG1 2.99Å; T19-T22 PolarHBondContact OG1-N 3.26Å; T19-T22 VanDerWaalsContact OG1-N 3.16Å; T19-T22 PolarHBondContact OG1-OG1 2.68Å; T19-D77 HydrophobicContact CG2-CB 3.78Å; T19-D77 PolarHBondContact OG1-OD2 2.99Å; T19-K79 HydrophobicContact CG2-CB 3.85Å; T19-K79 HydrophobicContact CG2-CD 3.94Å
20L94Very high95.6Very high106 Ų10653.3 Ų53.356%0.55526%0.263SS*.SBendtrans-68.3-14175.4-63.8176.9000112.7S51L20-S51 WeakPolarHBondContact CD2-O 3.4Å
21K94.1Very high95.9Very high183 Ų18350.4 Ų50.480%0.79625%0.248SC*.SBendtrans-91.3-26.6179.3-64.2-176.5178.9-178.70112.4T19 T23T19-K21 PolarHBondContact O-N 3.27Å; T19-K21 PolarHBondContact OG1-N 3.48Å; K21-T23 PolarHBondContact O-N 2.76Å
22T95.1Very high96Very high0 Ų049.9 Ų49.90%025%0.254CS..  trans-52.2127.9-179.9-47.60000110.8I18 T19 D26 L27 I76 D77I18-T22 HydrophobicContact CB-CG2 4.21Å; I18-T22 HydrophobicContact CD1-CG2 4.45Å; T19-T22 PolarHBondContact N-OG1 3.03Å; T19-T22 VanDerWaalsContact N-OG1 3.09Å; T19-T22 PolarHBondContact O-N 2.96Å; T19-T22 PolarHBondContact O-OG1 2.99Å; T19-T22 PolarHBondContact OG1-N 3.26Å; T19-T22 VanDerWaalsContact OG1-N 3.16Å; T19-T22 PolarHBondContact OG1-OG1 2.68Å; T22-D26 HydrophobicContact CG2-CB 3.98Å; T22-L27 HydrophobicContact CG2-CD2 3.83Å; T22-L27 HydrophobicContact CG2-CG 3.98Å; T22-I76 HydrophobicContact CG2-CG2 4.03Å; T22-D77 WeakPolarHBondContact CA-OD2 3.38Å; T22-D77 WeakPolarHBondContact CB-OD2 3.41Å; T22-D77 PolarHBondContact OG1-OD2 3Å
23T95.9Very high96.1Very high41 Ų4154.8 Ų54.825%0.25228%0.276SS..  trans-102.2173.2-179.564.30000112K21 E25 D26 L27 V42K21-T23 PolarHBondContact O-N 2.76Å; T23-E25 WeakPolarHBondContact CB-OE2 3.35Å; T23-E25 PolarHBondContact O-N 3.47Å; T23-E25 PolarHBondContact OG1-OE2 3.1Å; T23-D26 WeakPolarHBondContact CB-OD2 3.46Å; T23-D26 PolarHBondContact N-OD2 2.96Å; T23-D26 PolarHBondContact O-N 3.04Å; T23-D26 PolarHBondContact OG1-N 3.31Å; T23-D26 PolarHBondContact OG1-OD1 3.47Å; T23-D26 PolarHBondContact OG1-OD2 2.89Å; T23-L27 PolarHBondContact O-N 3.49Å; T23-V42 WeakPolarHBondContact O-CG2 3.04Å
24D96.6Very high96.1Very high50 Ų5057.6 Ų57.627%0.26729%0.286SS..Hα-helixtrans-66.6-35.2177.6-60.4-3.6000109.2L27 K28 V40 V42D24-L27 PolarHBondContact O-N 3.5Å; D24-K28 WeakPolarHBondContact O-CB 3.43Å; D24-K28 PolarHBondContact O-N 3.21Å; D24-V40 HydrophobicContact CB-CG1 4.34Å; D24-V40 WeakPolarHBondContact O-CG2 3.42Å; D24-V42 WeakPolarHBondContact OD1-CA 3.38Å; D24-V42 WeakPolarHBondContact OD1-CB 3.22Å; D24-V42 VanDerWaalsContact OD1-CG2 3.23Å; D24-V42 WeakPolarHBondContact OD1-CG2 3.23Å; D24-V42 PolarHBondContact OD1-N 3.24Å
25E96.4Very high96.1Very high128 Ų12856.6 Ų56.660%0.59829%0.287SS*.Hα-helixtrans-64.3-46.8175.8-63.971.8-158.500111.9T23 L27 K28 E29T23-E25 WeakPolarHBondContact CB-OE2 3.35Å; T23-E25 PolarHBondContact O-N 3.47Å; T23-E25 PolarHBondContact OG1-OE2 3.1Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 3.33Å; E25-K28 WeakPolarHBondContact O-CB 3.38Å; E25-K28 PolarHBondContact O-N 2.93Å; E25-K28 VanDerWaalsContact O-N 3.13Å; E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 3.32Å
26D96.2Very high96.2Very high52 Ų5262.2 Ų62.228%0.27832%0.317SS..Hα-helixtrans-60.5-42178.4-57.7-41.8000111.1T22 T23 F30T22-D26 HydrophobicContact CG2-CB 3.98Å; T23-D26 WeakPolarHBondContact CB-OD2 3.46Å; T23-D26 PolarHBondContact N-OD2 2.96Å; T23-D26 PolarHBondContact O-N 3.04Å; T23-D26 PolarHBondContact OG1-N 3.31Å; T23-D26 PolarHBondContact OG1-OD1 3.47Å; T23-D26 PolarHBondContact OG1-OD2 2.89Å; D26-F30 VanDerWaalsContact O-CB 3.31Å; D26-F30 WeakPolarHBondContact O-CB 3.41Å; D26-F30 PolarHBondContact O-N 3.34Å
27L97Very high96.3Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-65.2-42.8175.4-72.2-169.8000111.6I15 I18 T22 T23 D24 E25 F30 Y31 V40 V42 V57 I76I15-L27 HydrophobicContact CD1-CD1 4.1Å; I15-L27 HydrophobicContact CD1-CD2 4.17Å; I18-L27 HydrophobicContact CD1-CD1 4.47Å; I18-L27 HydrophobicContact CG2-CD2 4.03Å; T22-L27 HydrophobicContact CG2-CD2 3.83Å; T22-L27 HydrophobicContact CG2-CG 3.98Å; T23-L27 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 3.5Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 3.33Å; L27-F30 PolarHBondContact O-N 3.42Å; L27-Y31 HydrophobicContact CD2-CD2 4.49Å; L27-Y31 HydrophobicContact CD2-CE2 4.25Å; L27-Y31 WeakPolarHBondContact O-CB 3.31Å; L27-Y31 WeakPolarHBondContact O-CD2 3.41Å; L27-Y31 PolarHBondContact O-N 3.3Å; L27-V40 HydrophobicContact CB-CG2 3.71Å; L27-V40 HydrophobicContact CD1-CG2 4.43Å; L27-V42 HydrophobicContact CD1-CG2 3.57Å; L27-V42 HydrophobicContact CG-CG2 4.12Å; L27-V57 HydrophobicContact CB-CG2 4.4Å; L27-I76 HydrophobicContact CD2-CD1 3.68Å
28K97.3Very high96.4Very high105 Ų10565.6 Ų65.646%0.45733%0.329SS..Hα-helixtrans-61.8-50.9178.4-166.7175.9179.4176.70110.9D24 E25 F30 Y31 S32 I37 V40D24-K28 WeakPolarHBondContact O-CB 3.43Å; D24-K28 PolarHBondContact O-N 3.21Å; E25-K28 WeakPolarHBondContact O-CB 3.38Å; E25-K28 PolarHBondContact O-N 2.93Å; E25-K28 VanDerWaalsContact O-N 3.13Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 3.38Å; K28-Y31 PolarHBondContact O-N 3.28Å; K28-S32 VanDerWaalsContact O-CB 3.24Å; K28-S32 WeakPolarHBondContact O-CB 3.42Å; K28-S32 PolarHBondContact O-N 2.78Å; K28-S32 PolarHBondContact O-OG 3.31Å; K28-I37 HydrophobicContact CG-CD1 4.09Å; K28-I37 WeakPolarHBondContact O-CD1 3.47Å; K28-V40 HydrophobicContact CB-CG1 4.14Å; K28-V40 HydrophobicContact CD-CG1 4.34Å; K28-V40 HydrophobicContact CG-CG1 4.45Å
29E96.7Very high96.4Very high151 Ų15168.9 Ų68.971%0.70635%0.346SS*.Hα-helixtrans-58.4-45.7179.8-175.9178.1172.100111E25E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 3.32Å
30F97.1Very high96.5Very high32 Ų3268.8 Ų68.814%0.1435%0.346CS..Hα-helixtrans-66.6-47.8-179-173.7-91.4000112.9D26 L27 K28 K33 W34 H74 V75 I76D26-F30 VanDerWaalsContact O-CB 3.31Å; D26-F30 WeakPolarHBondContact O-CB 3.41Å; D26-F30 PolarHBondContact O-N 3.34Å; L27-F30 PolarHBondContact O-N 3.42Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 3.38Å; F30-K33 VanDerWaalsContact O-CD 3.3Å; F30-K33 WeakPolarHBondContact O-CD 3.42Å; F30-K33 VanDerWaalsContact O-CG 3.28Å; F30-K33 WeakPolarHBondContact O-CG 3.37Å; F30-W34 HydrophobicContact CD1-CH2 4.22Å; F30-W34 AromaticContact CD1-CZ3 3.98Å; F30-W34 HydrophobicContact CD1-CZ3 3.98Å; F30-W34 AromaticContact CE1-CH2 3.54Å; F30-W34 HydrophobicContact CE1-CH2 3.54Å; F30-W34 AromaticContact CE1-CZ3 3.73Å; F30-W34 HydrophobicContact CE1-CZ3 3.73Å; F30-W34 AromaticContact CZ-CH2 3.99Å; F30-W34 HydrophobicContact CZ-CH2 3.99Å; F30-H74 HydrophobicContact CE1-CB 3.76Å; F30-H74 AromaticContact CE1-CG 3.77Å; F30-H74 AromaticContact CE1-ND1 3.93Å; F30-H74 HydrophobicContact CZ-CB 3.95Å; F30-V75 WeakPolarHBondContact CE2-O 3.38Å; F30-I76 HydrophobicContact CB-CD1 4.2Å; F30-I76 HydrophobicContact CB-CG1 4.37Å; F30-I76 HydrophobicContact CD1-CD1 3.59Å; F30-I76 HydrophobicContact CD1-CG1 3.75Å; F30-I76 HydrophobicContact CD2-CG1 3.91Å; F30-I76 HydrophobicContact CE1-CD1 4.07Å; F30-I76 HydrophobicContact CE1-CG1 3.95Å; F30-I76 HydrophobicContact CE2-CG1 4.1Å; F30-I76 HydrophobicContact CG-CD1 3.84Å; F30-I76 HydrophobicContact CG-CG1 3.73Å; F30-I76 HydrophobicContact CZ-CG1 4.12Å
31Y97.5Very high96.6Very high0 Ų065.9 Ų65.90%033%0.332CS..Hα-helixtrans-81.2-16.7-175.4-79.4-82.9000113.7I15 L27 K28 K33 W34 V57 Y59 H74 I76I15-Y31 HydrophobicContact CD1-CD2 3.67Å; I15-Y31 HydrophobicContact CD1-CE1 4.43Å; I15-Y31 HydrophobicContact CD1-CE2 3.2Å; I15-Y31 HydrophobicContact CD1-CG 4.47Å; I15-Y31 HydrophobicContact CG1-CE2 3.8Å; I15-Y31 HydrophobicContact CG2-CE2 4.15Å; L27-Y31 HydrophobicContact CD2-CD2 4.49Å; L27-Y31 HydrophobicContact CD2-CE2 4.25Å; L27-Y31 WeakPolarHBondContact O-CB 3.31Å; L27-Y31 WeakPolarHBondContact O-CD2 3.41Å; L27-Y31 PolarHBondContact O-N 3.3Å; K28-Y31 PolarHBondContact O-N 3.28Å; Y31-K33 PolarHBondContact O-N 3.05Å; Y31-W34 AromaticContact CD1-CE3 3.97Å; Y31-W34 HydrophobicContact CD1-CE3 3.97Å; Y31-W34 AromaticContact CD1-CZ3 3.75Å; Y31-W34 HydrophobicContact CD1-CZ3 3.75Å; Y31-W34 HydrophobicContact CE1-CZ3 4.16Å; Y31-W34 HydrophobicContact CG-CZ3 4.32Å; Y31-W34 PolarHBondContact O-N 3.36Å; Y31-V57 HydrophobicContact CD2-CG2 4.01Å; Y31-V57 HydrophobicContact CG-CG1 4.43Å; Y31-V57 HydrophobicContact CG-CG2 4.18Å; Y31-Y59 WeakPolarHBondContact CD1-OH 3.47Å; Y31-Y59 WeakPolarHBondContact O-CE1 3.38Å; Y31-Y59 PolarHBondContact O-OH 2.92Å; Y31-H74 AromaticContact CE1-CE1 3.65Å; Y31-H74 AromaticContact CE1-ND1 3.35Å; Y31-H74 WeakPolarHBondContact CE1-ND1 3.15Å; Y31-H74 AromaticContact CZ-ND1 3.54Å; Y31-H74 PolarHBondContact OH-ND1 2.74Å; Y31-H74 VanDerWaalsContact OH-ND1 3.17Å; Y31-I76 HydrophobicContact CD2-CD1 4.37Å; Y31-I76 HydrophobicContact CE2-CD1 3.65Å
32S96.9Very high96.8Very high56 Ų5657.4 Ų57.439%0.39230%0.296SS..G310 helixtrans-62.7-12.1175.8-64.20000112.9K28 W34 G35K28-S32 VanDerWaalsContact O-CB 3.24Å; K28-S32 WeakPolarHBondContact O-CB 3.42Å; K28-S32 PolarHBondContact O-N 2.78Å; K28-S32 PolarHBondContact O-OG 3.31Å; S32-W34 PolarHBondContact O-N 3Å; S32-G35 PolarHBondContact O-N 2.84Å
33K96.8Very high96.8Very high140 Ų14059.9 Ų59.961%0.60931%0.308SS*.G310 helixtrans-60.6-23.7175.8-65.6174.8-171.7171.10114.2F30 Y31F30-K33 VanDerWaalsContact O-CD 3.3Å; F30-K33 WeakPolarHBondContact O-CD 3.42Å; F30-K33 VanDerWaalsContact O-CG 3.28Å; F30-K33 WeakPolarHBondContact O-CG 3.37Å; Y31-K33 PolarHBondContact O-N 3.05Å
34W97.2Very high96.8Very high59 Ų5962.2 Ų62.222%0.22331%0.312CS..G310 helixtrans-112.52.1-175.4-59.1-74.4000114.2F30 Y31 S32 M64 A67 A68 S71 H74F30-W34 HydrophobicContact CD1-CH2 4.22Å; F30-W34 AromaticContact CD1-CZ3 3.98Å; F30-W34 HydrophobicContact CD1-CZ3 3.98Å; F30-W34 AromaticContact CE1-CH2 3.54Å; F30-W34 HydrophobicContact CE1-CH2 3.54Å; F30-W34 AromaticContact CE1-CZ3 3.73Å; F30-W34 HydrophobicContact CE1-CZ3 3.73Å; F30-W34 AromaticContact CZ-CH2 3.99Å; F30-W34 HydrophobicContact CZ-CH2 3.99Å; Y31-W34 AromaticContact CD1-CE3 3.97Å; Y31-W34 HydrophobicContact CD1-CE3 3.97Å; Y31-W34 AromaticContact CD1-CZ3 3.75Å; Y31-W34 HydrophobicContact CD1-CZ3 3.75Å; Y31-W34 HydrophobicContact CE1-CZ3 4.16Å; Y31-W34 HydrophobicContact CG-CZ3 4.32Å; Y31-W34 PolarHBondContact O-N 3.36Å; S32-W34 PolarHBondContact O-N 3Å; W34-M64 WeakPolarHBondContact O-CB 3.29Å; W34-A67 HydrophobicContact CB-CB 4.16Å; W34-A68 HydrophobicContact CB-CB 4.03Å; W34-A68 HydrophobicContact CD2-CB 3.95Å; W34-A68 HydrophobicContact CE3-CB 3.87Å; W34-A68 HydrophobicContact CG-CB 4.02Å; W34-S71 WeakPolarHBondContact CZ2-OG 3.3Å; W34-S71 VanDerWaalsContact NE1-CB 3.32Å; W34-S71 PolarHBondContact NE1-OG 2.96Å; W34-H74 AromaticContact CH2-CD2 3.79Å; W34-H74 AromaticContact CH2-CE1 3.54Å; W34-H74 AromaticContact CH2-NE2 3.37Å; W34-H74 WeakPolarHBondContact CH2-NE2 3.37Å; W34-H74 AromaticContact CZ2-NE2 3.62Å; W34-H74 AromaticContact CZ3-CE1 3.68Å; W34-H74 AromaticContact CZ3-NE2 3.97Å
35G95.9Very high96.7Very high17 Ų1762.6 Ų62.618%0.17531%0.314CS..SBendtrans150.8178.4175.800000113.6S32 I37S32-G35 PolarHBondContact O-N 2.84Å; G35-I37 PolarHBondContact O-N 2.72Å
36D97.2Very high96.6Very high117 Ų11761.1 Ų61.163%0.62632%0.316SS*.  trans-71.4127.1-177.4-62.8-44.4000111.3Y59 A60 M64D36-Y59 CarbonylContact O-C 3.49Å; D36-Y59 WeakPolarHBondContact O-CA 3.02Å; D36-Y59 WeakPolarHBondContact O-CD1 3.06Å; D36-A60 HydrophobicContact CB-CB 3.99Å; D36-A60 PolarHBondContact O-N 3.27Å; D36-M64 HydrophobicContact CB-CE 4.3Å; D36-M64 PolarHBondContact N-SD 2.78Å; D36-M64 VanDerWaalsContact N-SD 3.37Å
37I97.3Very high96.5Very high24 Ų2464.7 Ų64.712%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-93.9122.3177.5-63.6177000109.5K28 G35 D39 V40 V57 T58 Y59K28-I37 HydrophobicContact CG-CD1 4.09Å; K28-I37 WeakPolarHBondContact O-CD1 3.47Å; G35-I37 PolarHBondContact O-N 2.72Å; I37-D39 VanDerWaalsContact CG2-O 3.31Å; I37-D39 WeakPolarHBondContact CG2-O 3.48Å; I37-V40 HydrophobicContact CG2-CB 4.28Å; I37-V57 HydrophobicContact CD1-CG1 3.79Å; I37-V57 HydrophobicContact CG1-CG1 3.89Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; I37-T58 CarbonylContact C-O 3.55Å; I37-T58 WeakPolarHBondContact CA-O 3.35Å; I37-Y59 HydrophobicContact CG1-CD1 4.14Å; I37-Y59 HydrophobicContact CG1-CE1 4Å
38T96.7Very high96.4Very high85 Ų8569.1 Ų69.152%0.52137%0.367SS..EExtended strand (participates in β ladder)trans-87.9-29.8175.358.90000112.8T58 A60T38-T58 PolarHBondContact N-O 3.44Å; T38-T58 PolarHBondContact OG1-O 3.29Å; T38-A60 HydrophobicContact CG2-CB 4Å
39D96.7Very high96.2Very high73 Ų7370.7 Ų70.739%0.3937%0.373SS..EExtended strand (participates in β ladder)trans-152.1143.2-179-177.741.5000111.1I37 T58I37-D39 VanDerWaalsContact CG2-O 3.31Å; I37-D39 WeakPolarHBondContact CG2-O 3.48Å; D39-T58 PolarHBondContact N-O 3.15Å; D39-T58 PolarHBondContact O-N 3.43Å
40V97.3Very high96Very high25 Ų2571.7 Ų71.715%0.15237%0.371CS..EExtended strand (participates in β ladder)trans-143.9137.5176.960.90000109.2D24 L27 K28 I37 F56 V57D24-V40 HydrophobicContact CB-CG1 4.34Å; D24-V40 WeakPolarHBondContact O-CG2 3.42Å; L27-V40 HydrophobicContact CB-CG2 3.71Å; L27-V40 HydrophobicContact CD1-CG2 4.43Å; K28-V40 HydrophobicContact CB-CG1 4.14Å; K28-V40 HydrophobicContact CD-CG1 4.34Å; K28-V40 HydrophobicContact CG-CG1 4.45Å; I37-V40 HydrophobicContact CG2-CB 4.28Å; V40-F56 WeakPolarHBondContact CA-O 3.4Å; V40-V57 HydrophobicContact CB-CG2 4.49Å; V40-V57 HydrophobicContact CG2-CG2 3.9Å
41V97Very high95.9Very high45 Ų4570.4 Ų70.427%0.27337%0.366SS..EExtended strand (participates in β ladder)trans-151.3123.4178.257.60000111.4M43 G55 F56V41-M43 HydrophobicContact CG1-SD 4.28Å; V41-M43 HydrophobicContact CG2-SD 3.96Å; V41-G55 CarbonylContact O-C 3.58Å; V41-G55 WeakPolarHBondContact O-CA 3.43Å; V41-F56 HydrophobicContact CG1-CB 3.99Å; V41-F56 HydrophobicContact CG1-CD2 4.24Å; V41-F56 PolarHBondContact N-O 2.89Å; V41-F56 PolarHBondContact O-N 3.09Å
42V97.2Very high95.8Very high5 Ų577.1 Ų77.13%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-84.1123162.6175.10000108.6I18 T23 D24 L27 R44I18-V42 HydrophobicContact CD1-CB 4.46Å; I18-V42 HydrophobicContact CD1-CG1 3.77Å; I18-V42 HydrophobicContact CD1-CG2 4.01Å; T23-V42 WeakPolarHBondContact O-CG2 3.04Å; D24-V42 WeakPolarHBondContact OD1-CA 3.38Å; D24-V42 WeakPolarHBondContact OD1-CB 3.22Å; D24-V42 VanDerWaalsContact OD1-CG2 3.23Å; D24-V42 WeakPolarHBondContact OD1-CG2 3.23Å; D24-V42 PolarHBondContact OD1-N 3.24Å; L27-V42 HydrophobicContact CD1-CG2 3.57Å; L27-V42 HydrophobicContact CG-CG2 4.12Å; V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 3.16Å
43M96.4Very high95.7Very high52 Ų5275.1 Ų75.126%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-74.3120.3-179.4-63.5-56.9-5800109.7V41 R52 F54 F56V41-M43 HydrophobicContact CG1-SD 4.28Å; V41-M43 HydrophobicContact CG2-SD 3.96Å; M43-R52 HydrophobicContact CB-CB 4.48Å; M43-R52 VanDerWaalsContact O-CB 3.27Å; M43-R52 WeakPolarHBondContact O-CB 3.45Å; M43-R52 WeakPolarHBondContact O-CG 3.04Å; M43-R52 PolarHBondContact O-N 3.37Å; M43-F54 HydrophobicContact CB-CD1 4.43Å; M43-F54 HydrophobicContact CB-CD2 4.01Å; M43-F54 HydrophobicContact CB-CE1 4.05Å; M43-F54 HydrophobicContact CB-CE2 3.65Å; M43-F54 HydrophobicContact CB-CG 4.41Å; M43-F54 HydrophobicContact CB-CZ 3.65Å; M43-F54 WeakPolarHBondContact CB-O 3.42Å; M43-F54 HydrophobicContact CG-CD2 3.76Å; M43-F54 HydrophobicContact CG-CE2 3.34Å; M43-F54 HydrophobicContact CG-CZ 3.82Å; M43-F54 PolarHBondContact N-O 3.17Å; M43-F56 HydrophobicContact CG-CD2 4.09Å; M43-F56 HydrophobicContact CG-CE2 3.96Å; M43-F56 HydrophobicContact SD-CD2 4.21Å; M43-F56 HydrophobicContact SD-CE2 4.25Å
44R96.4Very high95.6Very high91 Ų9170.3 Ų70.334%0.34336%0.359SS..EExtended strand (participates in β ladder)trans-114.5151.5179.1-64.5172.3-171.6-84.5-5.9110.6V42 R50V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 3.16Å; R44-R50 CarbonylContact C-O 3.59Å; R44-R50 VanDerWaalsContact CA-O 3.29Å; R44-R50 WeakPolarHBondContact CA-O 3.41Å
45D93.3Very high95.6Very high57 Ų5767.5 Ų67.531%0.30535%0.348SS..  trans-63.4129.1170179.1-91.3000109.2V47 T48 K49 R50D45-V47 PolarHBondContact O-N 3.45Å; D45-V47 PolarHBondContact OD1-N 2.95Å; D45-T48 VanDerWaalsContact CB-OG1 3.26Å; D45-T48 WeakPolarHBondContact CB-OG1 3.37Å; D45-T48 VanDerWaalsContact CG-OG1 3.3Å; D45-T48 PolarHBondContact OD1-N 3.43Å; D45-T48 PolarHBondContact OD1-OG1 2.9Å; D45-K49 WeakPolarHBondContact O-CA 3.3Å; D45-K49 PolarHBondContact O-N 3.28Å; D45-R50 PolarHBondContact N-O 3.22Å
46P93.9Very high95.7Very high98 Ų9868.1 Ų68.164%0.63635%0.346SS*.THydrogen-bonded Turntrans-64.9-26.9-171.723.9-33000113.1K49P46-K49 WeakPolarHBondContact O-CE 3.47Å; P46-K49 PolarHBondContact O-NZ 2.97Å
47V94.9Very high95.7Very high127 Ų12762.5 Ų62.577%0.7732%0.316SS*.THydrogen-bonded Turntrans-91-58.2-176.7-177.30000110.8D45 K49D45-V47 PolarHBondContact O-N 3.45Å; D45-V47 PolarHBondContact OD1-N 2.95Å; V47-K49 VanDerWaalsContact C-N 3.34Å; V47-K49 PolarHBondContact O-N 3.34Å
48T94.7Very high95.7Very high93 Ų9361.5 Ų61.557%0.57131%0.311SS*.THydrogen-bonded Turntrans-82.1-11.3-174.464.20000113.7D45 R50D45-T48 VanDerWaalsContact CB-OG1 3.26Å; D45-T48 WeakPolarHBondContact CB-OG1 3.37Å; D45-T48 VanDerWaalsContact CG-OG1 3.3Å; D45-T48 PolarHBondContact OD1-N 3.43Å; D45-T48 PolarHBondContact OD1-OG1 2.9Å; T48-R50 PolarHBondContact O-N 2.87Å; T48-R50 PolarHBondContact OG1-N 2.99Å
49K92.4Very high95.8Very high138 Ų13857.4 Ų57.460%0.629%0.286SS*.  trans56.78.1-173.1-54.4-54.1-171.9-165.60114.9D45 P46 V47D45-K49 WeakPolarHBondContact O-CA 3.3Å; D45-K49 PolarHBondContact O-N 3.28Å; P46-K49 WeakPolarHBondContact O-CE 3.47Å; P46-K49 PolarHBondContact O-NZ 2.97Å; V47-K49 VanDerWaalsContact C-N 3.34Å; V47-K49 PolarHBondContact O-N 3.34Å
50R92.9Very high95.7Very high171 Ų17155 Ų5565%0.64528%0.276SS*.  trans-69138.4176.9-171-179.6-69.1-170.1-1.2109.6R44 D45 T48 R52R44-R50 CarbonylContact C-O 3.59Å; R44-R50 VanDerWaalsContact CA-O 3.29Å; R44-R50 WeakPolarHBondContact CA-O 3.41Å; D45-R50 PolarHBondContact N-O 3.22Å; T48-R50 PolarHBondContact O-N 2.87Å; T48-R50 PolarHBondContact OG1-N 2.99Å; R50-R52 PolarHBondContact O-N 3.35Å
51S94.5Very high95.6Very high6 Ų659 Ų594%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-57.1138.6172176.10000110.7L20 G53L20-S51 WeakPolarHBondContact CD2-O 3.4Å; S51-G53 PolarHBondContact OG-N 3.27Å; S51-G53 VanDerWaalsContact OG-N 3.13Å
52R95.2Very high95.4Very high140 Ų14059 Ų5953%0.52829%0.294SS..EExtended strand (participates in β ladder)trans-86.13.4174.2-62.8170.760.5-170.5-2.4111.9M43 R50 F54M43-R52 HydrophobicContact CB-CB 4.48Å; M43-R52 VanDerWaalsContact O-CB 3.27Å; M43-R52 WeakPolarHBondContact O-CB 3.45Å; M43-R52 WeakPolarHBondContact O-CG 3.04Å; M43-R52 PolarHBondContact O-N 3.37Å; R50-R52 PolarHBondContact O-N 3.35Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-F54 HydrophobicContact CB-CD1 3.78Å; R52-F54 HydrophobicContact CB-CE1 3.52Å; R52-F54 HydrophobicContact CG-CE1 4.45Å; R52-F54 WeakPolarHBondContact O-CD1 3.35Å
53G95.3Very high95.3Very high15 Ų1564.3 Ų64.316%0.15532%0.322CS..EExtended strand (participates in β ladder)trans74.720.9178.400000114G17 I18 S51G17-G53 PolarHBondContact N-O 3.22Å; I18-G53 WeakPolarHBondContact CG1-O 3.46Å; I18-G53 PolarHBondContact N-O 3.21Å; S51-G53 PolarHBondContact OG-N 3.27Å; S51-G53 VanDerWaalsContact OG-N 3.13Å
54F96Very high95.3Very high38 Ų3863.4 Ų63.417%0.16732%0.318CS..EExtended strand (participates in β ladder)trans-150.8161.1170.871.7-84.7000111.8F14 I15 M43 R52 F56F14-F54 HydrophobicContact CD2-CD2 4.04Å; F14-F54 HydrophobicContact CE2-CB 3.8Å; F14-F54 AromaticContact CE2-CD2 3.39Å; F14-F54 HydrophobicContact CE2-CD2 3.39Å; F14-F54 HydrophobicContact CE2-CE2 4.1Å; F14-F54 AromaticContact CE2-CG 3.8Å; F14-F54 HydrophobicContact CE2-CG 3.8Å; F14-F54 HydrophobicContact CZ-CB 3.9Å; F14-F54 HydrophobicContact CZ-CD2 4.29Å; F14-F54 HydrophobicContact CZ-CG 4.26Å; I15-F54 CarbonylContact O-C 3.56Å; I15-F54 WeakPolarHBondContact O-CA 3.49Å; I15-F54 WeakPolarHBondContact O-CB 3.23Å; M43-F54 HydrophobicContact CB-CD1 4.43Å; M43-F54 HydrophobicContact CB-CD2 4.01Å; M43-F54 HydrophobicContact CB-CE1 4.05Å; M43-F54 HydrophobicContact CB-CE2 3.65Å; M43-F54 HydrophobicContact CB-CG 4.41Å; M43-F54 HydrophobicContact CB-CZ 3.65Å; M43-F54 WeakPolarHBondContact CB-O 3.42Å; M43-F54 HydrophobicContact CG-CD2 3.76Å; M43-F54 HydrophobicContact CG-CE2 3.34Å; M43-F54 HydrophobicContact CG-CZ 3.82Å; M43-F54 PolarHBondContact N-O 3.17Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-F54 HydrophobicContact CB-CD1 3.78Å; R52-F54 HydrophobicContact CB-CE1 3.52Å; R52-F54 HydrophobicContact CG-CE1 4.45Å; R52-F54 WeakPolarHBondContact O-CD1 3.35Å; F54-F56 HydrophobicContact CD2-CE2 4.21Å; F54-F56 AromaticContact CE2-CE2 3.91Å; F54-F56 HydrophobicContact CE2-CE2 3.91Å; F54-F56 HydrophobicContact CE2-CZ 4.36Å
55G96.7Very high95.3Very high0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-149.2-177.3177.200000112.6I15 V41I15-G55 PolarHBondContact N-O 3.2Å; I15-G55 PolarHBondContact O-N 2.56Å; V41-G55 CarbonylContact O-C 3.58Å; V41-G55 WeakPolarHBondContact O-CA 3.43Å
56F97.4Very high95.4Very high30 Ų3059 Ų5913%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-130.5145172.4-62.1-89.8000110.5K12 I13 F14 V40 V41 M43 F54 A86K12-F56 HydrophobicContact CD-CD1 4.36Å; K12-F56 HydrophobicContact CG-CB 4.44Å; K12-F56 HydrophobicContact CG-CD1 4.28Å; I13-F56 WeakPolarHBondContact O-CA 3.49Å; F14-F56 HydrophobicContact CB-CD1 4.13Å; F14-F56 HydrophobicContact CB-CE1 3.88Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.78Å; F14-F56 HydrophobicContact CD2-CE1 3.78Å; F14-F56 AromaticContact CD2-CZ 3.85Å; F14-F56 HydrophobicContact CD2-CZ 3.85Å; F14-F56 HydrophobicContact CG-CE1 4.34Å; V40-F56 WeakPolarHBondContact CA-O 3.4Å; V41-F56 HydrophobicContact CG1-CB 3.99Å; V41-F56 HydrophobicContact CG1-CD2 4.24Å; V41-F56 PolarHBondContact N-O 2.89Å; V41-F56 PolarHBondContact O-N 3.09Å; M43-F56 HydrophobicContact CG-CD2 4.09Å; M43-F56 HydrophobicContact CG-CE2 3.96Å; M43-F56 HydrophobicContact SD-CD2 4.21Å; M43-F56 HydrophobicContact SD-CE2 4.25Å; F54-F56 HydrophobicContact CD2-CE2 4.21Å; F54-F56 AromaticContact CE2-CE2 3.91Å; F54-F56 HydrophobicContact CE2-CE2 3.91Å; F54-F56 HydrophobicContact CE2-CZ 4.36Å; F56-A86 HydrophobicContact CD1-CB 4.06Å; F56-A86 HydrophobicContact CE1-CB 4.06Å
57V97.6Very high95.5Very high0 Ų056.4 Ų56.40%029%0.288CS..EExtended strand (participates in β ladder)trans-125.5131.2169.4167.30000107.6K12 I13 I15 L27 Y31 I37 V40 Y59K12-V57 CarbonylContact C-O 3.58Å; K12-V57 WeakPolarHBondContact CA-O 3.45Å; I13-V57 PolarHBondContact N-O 2.99Å; I13-V57 PolarHBondContact O-N 2.95Å; I15-V57 HydrophobicContact CD1-CB 4Å; I15-V57 HydrophobicContact CD1-CG2 3.42Å; I15-V57 VanDerWaalsContact CD1-CG2 3.42Å; L27-V57 HydrophobicContact CB-CG2 4.4Å; Y31-V57 HydrophobicContact CD2-CG2 4.01Å; Y31-V57 HydrophobicContact CG-CG1 4.43Å; Y31-V57 HydrophobicContact CG-CG2 4.18Å; I37-V57 HydrophobicContact CD1-CG1 3.79Å; I37-V57 HydrophobicContact CG1-CG1 3.89Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; V40-V57 HydrophobicContact CB-CG2 4.49Å; V40-V57 HydrophobicContact CG2-CG2 3.9Å; V57-Y59 HydrophobicContact CG1-CD2 4.45Å; V57-Y59 HydrophobicContact CG1-CE2 4.2Å
58T97.3Very high95.6Very high2 Ų250.3 Ų50.31%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-114.6121.9175.7-45.70000108.6E8 R11 K12 I37 T38 D39E8-T58 HydrophobicContact CG-CG2 4.17Å; R11-T58 HydrophobicContact CB-CG2 4.21Å; R11-T58 WeakPolarHBondContact O-CA 3.41Å; K12-T58 HydrophobicContact CB-CG2 4.41Å; I37-T58 CarbonylContact C-O 3.55Å; I37-T58 WeakPolarHBondContact CA-O 3.35Å; T38-T58 PolarHBondContact N-O 3.44Å; T38-T58 PolarHBondContact OG1-O 3.29Å; D39-T58 PolarHBondContact N-O 3.15Å; D39-T58 PolarHBondContact O-N 3.43Å
59Y97.9Very high95.6Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-86.2164.3176.4-74.4-76.3000112.4R11 I13 Y31 D36 I37 V57 M64 V65 A68R11-Y59 WeakPolarHBondContact CB-O 3.3Å; R11-Y59 WeakPolarHBondContact CD-O 3.05Å; R11-Y59 PolarHBondContact O-N 3.31Å; I13-Y59 HydrophobicContact CD1-CD2 4.34Å; I13-Y59 HydrophobicContact CD1-CE2 3.7Å; I13-Y59 HydrophobicContact CG1-CE2 4.33Å; Y31-Y59 WeakPolarHBondContact CD1-OH 3.47Å; Y31-Y59 WeakPolarHBondContact O-CE1 3.38Å; Y31-Y59 PolarHBondContact O-OH 2.92Å; D36-Y59 CarbonylContact O-C 3.49Å; D36-Y59 WeakPolarHBondContact O-CA 3.02Å; D36-Y59 WeakPolarHBondContact O-CD1 3.06Å; I37-Y59 HydrophobicContact CG1-CD1 4.14Å; I37-Y59 HydrophobicContact CG1-CE1 4Å; V57-Y59 HydrophobicContact CG1-CD2 4.45Å; V57-Y59 HydrophobicContact CG1-CE2 4.2Å; Y59-M64 HydrophobicContact CD1-CB 3.52Å; Y59-M64 HydrophobicContact CD1-CG 4.3Å; Y59-M64 HydrophobicContact CD1-SD 3.95Å; Y59-M64 HydrophobicContact CD2-CB 4.12Å; Y59-M64 HydrophobicContact CE1-CB 4.08Å; Y59-M64 HydrophobicContact CG-CB 3.53Å; Y59-M64 HydrophobicContact CG-SD 4.32Å; Y59-V65 HydrophobicContact CD2-CG2 3.71Å; Y59-V65 HydrophobicContact CE2-CG2 4.45Å; Y59-A68 HydrophobicContact CE2-CB 4.06Å; Y59-A68 WeakPolarHBondContact OH-CB 3.48Å
60A96Very high95.7Very high22 Ų2243.6 Ų43.618%0.18223%0.23CC..SBendtrans-67.2-36.1171.100000112.1R11 D36 T38 M64R11-A60 WeakPolarHBondContact CD-O 3.22Å; R11-A60 PolarHBondContact NH1-O 3.42Å; D36-A60 HydrophobicContact CB-CB 3.99Å; D36-A60 PolarHBondContact O-N 3.27Å; T38-A60 HydrophobicContact CG2-CB 4Å; A60-M64 HydrophobicContact CB-CE 4.14Å; A60-M64 HydrophobicContact CB-SD 4.07Å
61E94.9Very high95.9Very high110 Ų11037.3 Ų37.351%0.51421%0.212SC..SBendtrans-132.4149.3-177-66.2-60.1157.100112.3D63 M64E61-D63 PolarHBondContact O-N 3.42Å; E61-M64 HydrophobicContact CB-CE 4.12Å; E61-M64 HydrophobicContact CB-CG 4.21Å; E61-M64 HydrophobicContact CB-SD 4.13Å; E61-M64 HydrophobicContact CG-CE 4.22Å; E61-M64 WeakPolarHBondContact O-CB 3.26Å; E61-M64 PolarHBondContact O-N 3.19Å
62P93.6Very high95.9Very high45 Ų4539.7 Ų39.729%0.29222%0.22SC..Hα-helixtrans-68.6-23.3-17927.9-34.3000112.7N10 R11 M64 V65 N66N10-P62 HydrophobicContact CB-CB 4.43Å; R11-P62 HydrophobicContact CG-CB 4.23Å; P62-M64 VanDerWaalsContact C-N 3.27Å; P62-M64 PolarHBondContact O-N 3.47Å; P62-V65 VanDerWaalsContact O-CB 3.3Å; P62-V65 WeakPolarHBondContact O-CB 3.48Å; P62-V65 PolarHBondContact O-N 3.4Å; P62-V65 VanDerWaalsContact O-N 3.15Å; P62-N66 PolarHBondContact O-N 2.86Å
63D94.7Very high95.9Very high115 Ų11537.2 Ų37.262%0.61522%0.222SC*.Hα-helixtrans-67.4-29176.4-71-26.1000112.7E61 V65 N66 A67E61-D63 PolarHBondContact O-N 3.42Å; D63-V65 VanDerWaalsContact C-N 3.27Å; D63-V65 PolarHBondContact O-N 3.13Å; D63-N66 WeakPolarHBondContact O-CB 3.2Å; D63-N66 PolarHBondContact O-N 2.93Å; D63-N66 VanDerWaalsContact O-N 3.1Å; D63-N66 PolarHBondContact OD1-ND2 3.06Å; D63-A67 PolarHBondContact O-N 3.28Å
64M96.8Very high96Very high34 Ų3436.6 Ų36.617%0.16722%0.215CC..Hα-helixtrans-66.4-32.9173.6-56.9170.4175.300111.2W34 D36 Y59 A60 E61 P62 A67 A68W34-M64 WeakPolarHBondContact O-CB 3.29Å; D36-M64 HydrophobicContact CB-CE 4.3Å; D36-M64 PolarHBondContact N-SD 2.78Å; D36-M64 VanDerWaalsContact N-SD 3.37Å; Y59-M64 HydrophobicContact CD1-CB 3.52Å; Y59-M64 HydrophobicContact CD1-CG 4.3Å; Y59-M64 HydrophobicContact CD1-SD 3.95Å; Y59-M64 HydrophobicContact CD2-CB 4.12Å; Y59-M64 HydrophobicContact CE1-CB 4.08Å; Y59-M64 HydrophobicContact CG-CB 3.53Å; Y59-M64 HydrophobicContact CG-SD 4.32Å; A60-M64 HydrophobicContact CB-CE 4.14Å; A60-M64 HydrophobicContact CB-SD 4.07Å; E61-M64 HydrophobicContact CB-CE 4.12Å; E61-M64 HydrophobicContact CB-CG 4.21Å; E61-M64 HydrophobicContact CB-SD 4.13Å; E61-M64 HydrophobicContact CG-CE 4.22Å; E61-M64 WeakPolarHBondContact O-CB 3.26Å; E61-M64 PolarHBondContact O-N 3.19Å; P62-M64 VanDerWaalsContact C-N 3.27Å; P62-M64 PolarHBondContact O-N 3.47Å; M64-A67 PolarHBondContact O-N 2.95Å; M64-A68 WeakPolarHBondContact O-CB 3.31Å; M64-A68 PolarHBondContact O-N 3.08Å
65V96.2Very high96Very high0 Ų038.3 Ų38.30%023%0.229CC..Hα-helixtrans-64-44.9170.1176.70000110.4R11 I13 Y59 P62 D63 A67 A68 M69 R85R11-V65 VanDerWaalsContact C-CG2 3.46Å; R11-V65 WeakPolarHBondContact O-CG2 3.28Å; I13-V65 HydrophobicContact CD1-CB 4.33Å; I13-V65 HydrophobicContact CD1-CG1 3.88Å; I13-V65 HydrophobicContact CD1-CG2 4.35Å; I13-V65 HydrophobicContact CG1-CB 4.36Å; I13-V65 HydrophobicContact CG1-CG1 3.76Å; I13-V65 HydrophobicContact CG1-CG2 4.02Å; Y59-V65 HydrophobicContact CD2-CG2 3.71Å; Y59-V65 HydrophobicContact CE2-CG2 4.45Å; P62-V65 VanDerWaalsContact O-CB 3.3Å; P62-V65 WeakPolarHBondContact O-CB 3.48Å; P62-V65 PolarHBondContact O-N 3.4Å; P62-V65 VanDerWaalsContact O-N 3.15Å; D63-V65 VanDerWaalsContact C-N 3.27Å; D63-V65 PolarHBondContact O-N 3.13Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 2.99Å; V65-A68 PolarHBondContact O-N 2.94Å; V65-M69 HydrophobicContact CG1-CG 4.1Å; V65-M69 WeakPolarHBondContact O-CB 3.48Å; V65-M69 VanDerWaalsContact O-CG 3.23Å; V65-M69 WeakPolarHBondContact O-CG 3.27Å; V65-M69 PolarHBondContact O-N 2.95Å; V65-R85 HydrophobicContact CG1-CG 4.46Å
66N94.2Very high96Very high56 Ų5638.6 Ų38.630%0.29923%0.23SC..Hα-helixtrans-60.3-44178.6-60-29.9000111.1P62 D63 M69 A70 R85P62-N66 PolarHBondContact O-N 2.86Å; D63-N66 WeakPolarHBondContact O-CB 3.2Å; D63-N66 PolarHBondContact O-N 2.93Å; D63-N66 VanDerWaalsContact O-N 3.1Å; D63-N66 PolarHBondContact OD1-ND2 3.06Å; N66-M69 PolarHBondContact O-N 3.11Å; N66-A70 WeakPolarHBondContact O-CB 3.2Å; N66-A70 PolarHBondContact O-N 3.49Å; N66-R85 PolarHBondContact OD1-NH1 3.22Å; N66-R85 PolarHBondContact OD1-NH2 3.41Å
67A96Very high95.8Very high42 Ų4241.2 Ų41.235%0.34725%0.246SC..Hα-helixtrans-61.2-48.1176.600000112.2W34 D63 M64 V65 M69 A70 S71W34-A67 HydrophobicContact CB-CB 4.16Å; D63-A67 PolarHBondContact O-N 3.28Å; M64-A67 PolarHBondContact O-N 2.95Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 2.99Å; A67-M69 VanDerWaalsContact C-N 3.33Å; A67-M69 PolarHBondContact O-N 2.74Å; A67-A70 PolarHBondContact O-N 3.11Å; A67-S71 PolarHBondContact O-N 3.5Å; A67-S71 PolarHBondContact O-OG 3.26Å
68A96.8Very high95.6Very high0 Ų044.9 Ų44.90%028%0.283CS..Hα-helixtrans-64.7-34.6177.100000112.8I13 W34 Y59 M64 V65 S71 H74I13-A68 HydrophobicContact CD1-CB 3.9Å; W34-A68 HydrophobicContact CB-CB 4.03Å; W34-A68 HydrophobicContact CD2-CB 3.95Å; W34-A68 HydrophobicContact CE3-CB 3.87Å; W34-A68 HydrophobicContact CG-CB 4.02Å; Y59-A68 HydrophobicContact CE2-CB 4.06Å; Y59-A68 WeakPolarHBondContact OH-CB 3.48Å; M64-A68 WeakPolarHBondContact O-CB 3.31Å; M64-A68 PolarHBondContact O-N 3.08Å; V65-A68 PolarHBondContact O-N 2.94Å; A68-S71 WeakPolarHBondContact CA-OG 3.33Å; A68-S71 PolarHBondContact O-OG 2.83Å; A68-H74 PolarHBondContact O-CE1 2.92Å; A68-H74 PolarHBondContact O-NE2 3.48Å
69M95.6Very high95.4Very high3 Ų349.2 Ų49.22%0.01530%0.302CS..Hα-helixtrans-74.1-29176.1-67.7-60.6-68.800111.8I13 V65 N66 A67 S71 R72 P83 Y153 D154I13-M69 HydrophobicContact CD1-SD 4.42Å; V65-M69 HydrophobicContact CG1-CG 4.1Å; V65-M69 WeakPolarHBondContact O-CB 3.48Å; V65-M69 VanDerWaalsContact O-CG 3.23Å; V65-M69 WeakPolarHBondContact O-CG 3.27Å; V65-M69 PolarHBondContact O-N 2.95Å; N66-M69 PolarHBondContact O-N 3.11Å; A67-M69 VanDerWaalsContact C-N 3.33Å; A67-M69 PolarHBondContact O-N 2.74Å; M69-S71 VanDerWaalsContact C-N 3.33Å; M69-R72 VanDerWaalsContact O-CZ 3.26Å; M69-R72 PolarHBondContact O-NE 3.36Å; M69-R72 PolarHBondContact O-NH2 2.78Å; M69-P83 WeakPolarHBondContact CE-O 3.43Å; M69-P83 HydrophobicContact SD-CB 4.18Å; M69-Y153 HydrophobicContact CE-CE2 4.12Å; M69-D154 HydrophobicContact CE-CB 3.79Å; M69-D154 WeakPolarHBondContact CE-OD1 3.38Å; M69-D154 WeakPolarHBondContact CG-OD1 3.25Å
70A94.9Very high95.4Very high86 Ų8655.5 Ų55.571%0.71133%0.331SS*.Hα-helixtrans-74.2-22.7176.600000113.3N66 A67N66-A70 WeakPolarHBondContact O-CB 3.2Å; N66-A70 PolarHBondContact O-N 3.49Å; A67-A70 PolarHBondContact O-N 3.11Å
71S95.5Very high95.4Very high39 Ų3954.7 Ų54.727%0.27332%0.324SS..THydrogen-bonded Turntrans-91.212.3-178.3560000115.2W34 A67 A68 M69 H74W34-S71 WeakPolarHBondContact CZ2-OG 3.3Å; W34-S71 VanDerWaalsContact NE1-CB 3.32Å; W34-S71 PolarHBondContact NE1-OG 2.96Å; A67-S71 PolarHBondContact O-N 3.5Å; A67-S71 PolarHBondContact O-OG 3.26Å; A68-S71 WeakPolarHBondContact CA-OG 3.33Å; A68-S71 PolarHBondContact O-OG 2.83Å; M69-S71 VanDerWaalsContact C-N 3.33Å; S71-H74 PolarHBondContact O-CD2 3.13Å; S71-H74 VanDerWaalsContact O-CD2 3.31Å; S71-H74 PolarHBondContact O-NE2 2.78Å; S71-H74 PolarHBondContact OG-NE2 2.93Å
72R95.5Very high95.4Very high56 Ų5652.9 Ų52.921%0.21132%0.315CS..  trans-63.1149.5173.4-79.1175.7-74.4149.510.1110.9M69 P83 D152 Y153M69-R72 VanDerWaalsContact O-CZ 3.26Å; M69-R72 PolarHBondContact O-NE 3.36Å; M69-R72 PolarHBondContact O-NH2 2.78Å; R72-P83 HydrophobicContact CG-CG 3.66Å; R72-D152 IonicContact CZ-OD1 2.95Å; R72-D152 IonicContact CZ-OD2 3.77Å; R72-D152 VanDerWaalsContact CZ-OD2 3.24Å; R72-D152 VanDerWaalsContact NH1-CG 3.35Å; R72-D152 IonicContact NH1-OD1 2.63Å; R72-D152 PolarHBondContact NH1-OD1 2.75Å; R72-D152 IonicContact NH1-OD2 2.92Å; R72-D152 PolarHBondContact NH1-OD2 2.86Å; R72-D152 IonicContact NH2-OD1 3.24Å; R72-D152 IonicContact NH2-OD2 3.82Å; R72-D152 PolarHBondContact NH2-OD2 3.5Å; R72-Y153 WeakPolarHBondContact CD-OH 3.34Å; R72-Y153 PolarHBondContact NH1-OH 2.93Å; R72-Y153 VanDerWaalsContact NH1-OH 3.13Å
73P95.9Very high95.5Very high88 Ų8850.8 Ų50.857%0.57130%0.302SS*.SBendcis-78.91524.532.1-35.7000113.5E80P73-E80 HydrophobicContact CB-CG 4.2Å
74H96.9Very high95.5Very high2 Ų246 Ų461%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-106.4132.4178.3-70.3179.4000110.4F30 Y31 W34 A68 S71 E80 V81F30-H74 HydrophobicContact CE1-CB 3.76Å; F30-H74 AromaticContact CE1-CG 3.77Å; F30-H74 AromaticContact CE1-ND1 3.93Å; F30-H74 HydrophobicContact CZ-CB 3.95Å; Y31-H74 AromaticContact CE1-CE1 3.65Å; Y31-H74 AromaticContact CE1-ND1 3.35Å; Y31-H74 WeakPolarHBondContact CE1-ND1 3.15Å; Y31-H74 AromaticContact CZ-ND1 3.54Å; Y31-H74 PolarHBondContact OH-ND1 2.74Å; Y31-H74 VanDerWaalsContact OH-ND1 3.17Å; W34-H74 AromaticContact CH2-CD2 3.79Å; W34-H74 AromaticContact CH2-CE1 3.54Å; W34-H74 AromaticContact CH2-NE2 3.37Å; W34-H74 WeakPolarHBondContact CH2-NE2 3.37Å; W34-H74 AromaticContact CZ2-NE2 3.62Å; W34-H74 AromaticContact CZ3-CE1 3.68Å; W34-H74 AromaticContact CZ3-NE2 3.97Å; A68-H74 PolarHBondContact O-CE1 2.92Å; A68-H74 PolarHBondContact O-NE2 3.48Å; S71-H74 PolarHBondContact O-CD2 3.13Å; S71-H74 VanDerWaalsContact O-CD2 3.31Å; S71-H74 PolarHBondContact O-NE2 2.78Å; S71-H74 PolarHBondContact OG-NE2 2.93Å; H74-E80 CarbonylContact O-C 3.43Å; H74-E80 WeakPolarHBondContact O-CA 3.33Å; H74-V81 HydrophobicContact CB-CG2 3.54Å; H74-V81 WeakPolarHBondContact O-CG2 3.25Å; H74-V81 PolarHBondContact O-N 3.29Å
75V96.8Very high95.3Very high75 Ų7545.1 Ų45.146%0.45527%0.27SS..EExtended strand (participates in β ladder)trans-120.7118.8179.1-1780000109.5F30 K79F30-V75 WeakPolarHBondContact CE2-O 3.38Å; V75-K79 WeakPolarHBondContact CA-O 3.47Å
76I95.1Very high95.2Very high6 Ų645.1 Ų45.13%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-126130.8-179.7-52.3-178.4000107.5T22 L27 F30 Y31 G78 K79 V81T22-I76 HydrophobicContact CG2-CG2 4.03Å; L27-I76 HydrophobicContact CD2-CD1 3.68Å; F30-I76 HydrophobicContact CB-CD1 4.2Å; F30-I76 HydrophobicContact CB-CG1 4.37Å; F30-I76 HydrophobicContact CD1-CD1 3.59Å; F30-I76 HydrophobicContact CD1-CG1 3.75Å; F30-I76 HydrophobicContact CD2-CG1 3.91Å; F30-I76 HydrophobicContact CE1-CD1 4.07Å; F30-I76 HydrophobicContact CE1-CG1 3.95Å; F30-I76 HydrophobicContact CE2-CG1 4.1Å; F30-I76 HydrophobicContact CG-CD1 3.84Å; F30-I76 HydrophobicContact CG-CG1 3.73Å; F30-I76 HydrophobicContact CZ-CG1 4.12Å; Y31-I76 HydrophobicContact CD2-CD1 4.37Å; Y31-I76 HydrophobicContact CE2-CD1 3.65Å; I76-G78 PolarHBondContact O-N 3.28Å; I76-K79 PolarHBondContact N-O 2.82Å; I76-K79 PolarHBondContact O-N 3.03Å; I76-K79 VanDerWaalsContact O-O 3.07Å; I76-V81 HydrophobicContact CB-CG1 4.1Å; I76-V81 HydrophobicContact CD1-CG1 4.23Å; I76-V81 HydrophobicContact CD1-CG2 3.95Å; I76-V81 HydrophobicContact CG1-CG1 4.17Å; I76-V81 HydrophobicContact CG1-CG2 4.13Å
77D92.9Very high95Very high85 Ų8543.1 Ų43.146%0.45526%0.26SS..THydrogen-bonded Turntrans53.334.5-175.1-53.8-36.7000114T19 T22 K79T19-D77 HydrophobicContact CG2-CB 3.78Å; T19-D77 PolarHBondContact OG1-OD2 2.99Å; T22-D77 WeakPolarHBondContact CA-OD2 3.38Å; T22-D77 WeakPolarHBondContact CB-OD2 3.41Å; T22-D77 PolarHBondContact OG1-OD2 3Å; D77-K79 PolarHBondContact O-N 3.13Å
78G93.4Very high94.5Very high76 Ų7641.2 Ų41.278%0.78424%0.244SC*.THydrogen-bonded Turntrans71.39.5-176.800000114.7I76I76-G78 PolarHBondContact O-N 3.28Å
79K94.9Very high93.8Very high93 Ų9349.7 Ų49.740%0.40428%0.281SS..EExtended strand (participates in β ladder)trans-114.9132.9176.4-171.2178.4176.5-161.40110.7G17 T19 V75 I76 D77 V81G17-K79 VanDerWaalsContact O-CD 3.23Å; G17-K79 WeakPolarHBondContact O-CD 3.31Å; G17-K79 WeakPolarHBondContact O-CE 3.38Å; G17-K79 PolarHBondContact O-NZ 2.69Å; T19-K79 HydrophobicContact CG2-CB 3.85Å; T19-K79 HydrophobicContact CG2-CD 3.94Å; V75-K79 WeakPolarHBondContact CA-O 3.47Å; I76-K79 PolarHBondContact N-O 2.82Å; I76-K79 PolarHBondContact O-N 3.03Å; I76-K79 VanDerWaalsContact O-O 3.07Å; D77-K79 PolarHBondContact O-N 3.13Å; K79-V81 PolarHBondContact O-N 3.36Å
80E96.7Very high93.1Very high132 Ų13253.6 Ų53.662%0.61730%0.302SS*.EExtended strand (participates in β ladder)trans-67.9126.9171.5-169.6178.2157.800110.2P73 H74P73-E80 HydrophobicContact CB-CG 4.2Å; H74-E80 CarbonylContact O-C 3.43Å; H74-E80 WeakPolarHBondContact O-CA 3.33Å
81V96.4Very high92.4Very high6 Ų650 Ų504%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-104.3156.4178.6-57.40000110I15 G16 I18 H74 I76 K79 P83I15-V81 HydrophobicContact CG2-CB 4Å; I15-V81 HydrophobicContact CG2-CG2 3.96Å; G16-V81 WeakPolarHBondContact O-CB 3.47Å; I18-V81 HydrophobicContact CG2-CG1 3.86Å; H74-V81 HydrophobicContact CB-CG2 3.54Å; H74-V81 WeakPolarHBondContact O-CG2 3.25Å; H74-V81 PolarHBondContact O-N 3.29Å; I76-V81 HydrophobicContact CB-CG1 4.1Å; I76-V81 HydrophobicContact CD1-CG1 4.23Å; I76-V81 HydrophobicContact CD1-CG2 3.95Å; I76-V81 HydrophobicContact CG1-CG1 4.17Å; I76-V81 HydrophobicContact CG1-CG2 4.13Å; K79-V81 PolarHBondContact O-N 3.36Å; V81-P83 WeakPolarHBondContact O-CD 3.45Å
82E94Very high91.4Very high71 Ų7150.9 Ų50.933%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-11086.5-179.1-163.9-171.7-170.600109.5G16 K84 S100G16-E82 PolarHBondContact N-O 3.47Å; G16-E82 PolarHBondContact O-N 2.88Å; E82-K84 WeakPolarHBondContact OE1-CE 3.23Å; E82-K84 IonicContact OE1-NZ 3Å; E82-K84 PolarHBondContact OE1-NZ 3.44Å; E82-K84 IonicContact OE2-NZ 2.73Å; E82-K84 PolarHBondContact OE2-NZ 2.77Å; E82-K84 VanDerWaalsContact OE2-NZ 3.12Å; E82-S100 WeakPolarHBondContact OE1-CB 3.49Å; E82-S100 PolarHBondContact OE1-OG 3.11Å
83P96Very high90.6Very high1 Ų155.3 Ų55.31%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-73.9135.9174.629.6-30.6000110.3I13 F14 M69 R72 V81 Y153I13-P83 HydrophobicContact CG2-CB 3.9Å; F14-P83 CarbonylContact O-C 3.54Å; F14-P83 WeakPolarHBondContact O-CA 3.39Å; M69-P83 WeakPolarHBondContact CE-O 3.43Å; M69-P83 HydrophobicContact SD-CB 4.18Å; R72-P83 HydrophobicContact CG-CG 3.66Å; V81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-Y153 WeakPolarHBondContact O-CE2 3.13Å; P83-Y153 PolarHBondContact O-OH 2.95Å
84K94.6Very high89.8Confident16 Ų1655 Ų557%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-137.5157.8176.7-64.1-179.2-179.6166.90109.1I13 F14 E82 A86 H98 S100 Y153I13-K84 CarbonylContact C-O 3.59Å; I13-K84 WeakPolarHBondContact CA-O 3.5Å; I13-K84 WeakPolarHBondContact CG2-O 3.02Å; F14-K84 HydrophobicContact CD1-CB 4.25Å; F14-K84 PolarHBondContact N-O 2.87Å; F14-K84 PolarHBondContact O-N 3.33Å; E82-K84 WeakPolarHBondContact OE1-CE 3.23Å; E82-K84 IonicContact OE1-NZ 3Å; E82-K84 PolarHBondContact OE1-NZ 3.44Å; E82-K84 IonicContact OE2-NZ 2.73Å; E82-K84 PolarHBondContact OE2-NZ 2.77Å; E82-K84 VanDerWaalsContact OE2-NZ 3.12Å; K84-A86 PolarHBondContact O-N 2.75Å; K84-H98 PolarHBondContact NZ-O 3.48Å; K84-S100 PolarHBondContact NZ-OG 2.87Å; K84-S100 VanDerWaalsContact NZ-OG 3.09Å; K84-Y153 HydrophobicContact CG-CD2 4.48Å; K84-Y153 HydrophobicContact CG-CE2 4.05Å
85R93.8Very high88.8Confident14 Ų1458.5 Ų58.55%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-65.1135.1169.4-59.5-171179.3-109.1-2.1109V65 N66 M87 D154 D157 R158 L161V65-R85 HydrophobicContact CG1-CG 4.46Å; N66-R85 PolarHBondContact OD1-NH1 3.22Å; N66-R85 PolarHBondContact OD1-NH2 3.41Å; R85-M87 HydrophobicContact CB-CE 4.25Å; R85-M87 WeakPolarHBondContact O-CE 3.01Å; R85-M87 PolarHBondContact O-N 2.73Å; R85-D154 IonicContact CZ-OD1 3.77Å; R85-D154 IonicContact NE-OD1 3.87Å; R85-D154 PolarHBondContact NE-OD1 2.63Å; R85-D154 IonicContact NE-OD2 3.13Å; R85-D154 IonicContact NH2-OD1 3.29Å; R85-D154 PolarHBondContact NH2-OD1 2.92Å; R85-D154 VanDerWaalsContact NH2-OD1 3.13Å; R85-D154 IonicContact NH2-OD2 3.37Å; R85-D154 PolarHBondContact NH2-OD2 3Å; R85-D157 HydrophobicContact CB-CB 4.05Å; R85-D157 HydrophobicContact CG-CB 4.26Å; R85-R158 VanDerWaalsContact CD-CG 3.46Å; R85-R158 VanDerWaalsContact CZ-CD 3.41Å; R85-L161 HydrophobicContact CB-CD1 4.18Å
86A93.2Very high88Confident1 Ų156.6 Ų56.61%0.00830%0.298CS..PPolyproline II helixtrans-62135.2178.600000108.9Q9 K12 F14 F56 K84Q9-A86 VanDerWaalsContact NE2-CB 3.26Å; Q9-A86 PolarHBondContact NE2-O 3.37Å; K12-A86 HydrophobicContact CB-CB 3.89Å; K12-A86 HydrophobicContact CD-CB 4.18Å; K12-A86 HydrophobicContact CG-CB 3.72Å; K12-A86 VanDerWaalsContact O-CB 3.31Å; K12-A86 WeakPolarHBondContact O-CB 3.14Å; K12-A86 PolarHBondContact O-N 3.13Å; F14-A86 HydrophobicContact CB-CB 4.49Å; F56-A86 HydrophobicContact CD1-CB 4.06Å; F56-A86 HydrophobicContact CE1-CB 4.06Å; K84-A86 PolarHBondContact O-N 2.75Å
87M89.3Confident87.2Confident13 Ų1356.6 Ų56.66%0.06430%0.298CS..PPolyproline II helixtrans-91141.4174.2-68.6-65.2112.400109.2R85 M92 D157 L161R85-M87 HydrophobicContact CB-CE 4.25Å; R85-M87 WeakPolarHBondContact O-CE 3.01Å; R85-M87 PolarHBondContact O-N 2.73Å; M87-M92 WeakPolarHBondContact O-CE 3.13Å; M87-D157 HydrophobicContact CE-CB 3.89Å; M87-L161 HydrophobicContact CE-CD1 4.46Å; M87-L161 HydrophobicContact CE-CD2 3.75Å; M87-L161 HydrophobicContact CE-CG 3.91Å; M87-L161 HydrophobicContact SD-CD2 4.18Å
88P85.5Confident86.4Confident3 Ų357.1 Ų57.12%0.01930%0.298CS..PPolyproline II helixtrans-57.7145.3171.8-23.230.4000111.8M1 Q9 D90 V91 M92 L161M1-P88 HydrophobicContact CE-CB 3.71Å; M1-P88 HydrophobicContact CE-CG 3.49Å; M1-P88 VanDerWaalsContact CE-CG 3.49Å; M1-P88 HydrophobicContact SD-CB 3.95Å; M1-P88 HydrophobicContact SD-CG 4.11Å; Q9-P88 HydrophobicContact CG-CG 3.97Å; Q9-P88 VanDerWaalsContact OE1-CA 3.25Å; P88-D90 WeakPolarHBondContact CB-OD1 3.3Å; P88-D90 PolarHBondContact O-N 2.98Å; P88-D90 VanDerWaalsContact O-N 3.1Å; P88-V91 HydrophobicContact CB-CG2 4.18Å; P88-V91 HydrophobicContact CG-CG2 4.22Å; P88-V91 PolarHBondContact O-N 3.07Å; P88-M92 WeakPolarHBondContact O-CG 3.5Å; P88-M92 PolarHBondContact O-N 2.86Å; P88-L161 HydrophobicContact CG-CD2 4.2Å
89K83.3Confident86Confident178 Ų17856 Ų5677%0.77428%0.276SS*.Hα-helixtrans-54.8-32.4-179.3-68.6-176.4-179.7177.80113.5V91 M92K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 PolarHBondContact O-N 3.31Å; K89-M92 HydrophobicContact CB-SD 4.4Å; K89-M92 HydrophobicContact CG-CE 4.21Å; K89-M92 HydrophobicContact CG-SD 4.14Å; K89-M92 WeakPolarHBondContact O-CB 2.9Å; K89-M92 PolarHBondContact O-N 3.36Å
90D80.6Confident85.6Confident84 Ų8454 Ų5445%0.44927%0.274SS..Hα-helixtrans-77-14.9179.867.7-51.1000113.7P88 R163P88-D90 WeakPolarHBondContact CB-OD1 3.3Å; P88-D90 PolarHBondContact O-N 2.98Å; P88-D90 VanDerWaalsContact O-N 3.1Å; D90-R163 IonicContact OD1-NH2 3.96Å; D90-R163 PolarHBondContact OD1-NH2 2.7Å; D90-R163 IonicContact OD2-CZ 2.61Å; D90-R163 IonicContact OD2-NH1 3.95Å; D90-R163 PolarHBondContact OD2-NH1 3.19Å; D90-R163 IonicContact OD2-NH2 2.69Å; D90-R163 PolarHBondContact OD2-NH2 3.39Å
91V79.4Confident85.4Confident10 Ų1048.7 Ų48.76%0.06125%0.25CS..Hα-helixtrans-90.5-26.4169.9-166.90000111.4P88 K89 N93 K94 A97P88-V91 HydrophobicContact CB-CG2 4.18Å; P88-V91 HydrophobicContact CG-CG2 4.22Å; P88-V91 PolarHBondContact O-N 3.07Å; K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 PolarHBondContact O-N 3.31Å; V91-N93 PolarHBondContact O-N 3.34Å; V91-K94 HydrophobicContact CG1-CD 4.38Å; V91-K94 WeakPolarHBondContact O-CB 3.35Å; V91-K94 PolarHBondContact O-N 3.41Å; V91-A97 HydrophobicContact CG1-CB 4.29Å; V91-A97 WeakPolarHBondContact O-CB 3.29Å
92M76Confident85.3Confident58 Ų5853.7 Ų53.729%0.28627%0.271SS..Hα-helixtrans-56.9-26.4-175.9-67.7-179.7-178.500114.1M87 P88 K89 K94M87-M92 WeakPolarHBondContact O-CE 3.13Å; P88-M92 WeakPolarHBondContact O-CG 3.5Å; P88-M92 PolarHBondContact O-N 2.86Å; K89-M92 HydrophobicContact CB-SD 4.4Å; K89-M92 HydrophobicContact CG-CE 4.21Å; K89-M92 HydrophobicContact CG-SD 4.14Å; K89-M92 WeakPolarHBondContact O-CB 2.9Å; K89-M92 PolarHBondContact O-N 3.36Å; M92-K94 PolarHBondContact O-N 3.25Å
93N77.3Confident85.4Confident150 Ų15053.2 Ų53.280%0.80227%0.268SS*.THydrogen-bonded Turntrans-70.3-10.8178.3-67.3-25.9000113.6V91V91-N93 PolarHBondContact O-N 3.34Å
94K79.8Confident85.4Confident82 Ų8253.2 Ų53.236%0.35727%0.268SS..SBendtrans-85.2132.2176-60.9-178.1-179.1174.60109.2V91 M92 E96 A97V91-K94 HydrophobicContact CG1-CD 4.38Å; V91-K94 WeakPolarHBondContact O-CB 3.35Å; V91-K94 PolarHBondContact O-N 3.41Å; M92-K94 PolarHBondContact O-N 3.25Å; K94-E96 HydrophobicContact CB-CG 3.76Å; K94-E96 PolarHBondContact O-N 3.08Å; K94-E96 VanDerWaalsContact O-N 3.08Å; K94-A97 VanDerWaalsContact O-CB 3.28Å; K94-A97 WeakPolarHBondContact O-CB 3.37Å; K94-A97 PolarHBondContact O-N 3.38Å
95P75.5Confident85.4Confident75 Ų7555.8 Ų55.849%0.48728%0.278SS..G310 helixtrans-57.3-31.2-179.223.8-34.3000112.3A97 I186P95-A97 VanDerWaalsContact C-N 3.31Å; P95-A97 PolarHBondContact O-N 3.02Å; P95-I186 HydrophobicContact CB-CD1 3.89Å; P95-I186 HydrophobicContact CB-CG1 4.27Å; P95-I186 HydrophobicContact CG-CD1 3.55Å; P95-I186 HydrophobicContact CG-CG1 4Å; P95-I186 HydrophobicContact CG-CG2 4.2Å
96E80.2Confident85.4Confident35 Ų3555.1 Ų55.116%0.16428%0.275CS..G310 helixtrans-68.4-19.4177.440.5-166.2-165.700114.8K94 H98 V99 K176 L178K94-E96 HydrophobicContact CB-CG 3.76Å; K94-E96 PolarHBondContact O-N 3.08Å; K94-E96 VanDerWaalsContact O-N 3.08Å; E96-H98 PolarHBondContact O-N 3.5Å; E96-V99 PolarHBondContact O-N 3.35Å; E96-K176 HydrophobicContact CB-CB 4.27Å; E96-K176 WeakPolarHBondContact O-CD 3.25Å; E96-L178 HydrophobicContact CB-CD1 4Å; E96-L178 HydrophobicContact CB-CD2 3.76Å; E96-L178 HydrophobicContact CB-CG 3.96Å
97A79.1Confident85.5Confident5 Ų556.4 Ų56.44%0.04128%0.284CS..G310 helixtrans-62-40.7-168.900000113.9V91 K94 P95 K176V91-A97 HydrophobicContact CG1-CB 4.29Å; V91-A97 WeakPolarHBondContact O-CB 3.29Å; K94-A97 VanDerWaalsContact O-CB 3.28Å; K94-A97 WeakPolarHBondContact O-CB 3.37Å; K94-A97 PolarHBondContact O-N 3.38Å; P95-A97 VanDerWaalsContact C-N 3.31Å; P95-A97 PolarHBondContact O-N 3.02Å; A97-K176 PolarHBondContact O-NZ 3.23Å
98H75.6Confident85.7Confident96 Ų9657.4 Ų57.444%0.44430%0.298SS..G310 helixtrans-91.9-11.2-174.2-63.1-69.7000114.1K84 E96 S100K84-H98 PolarHBondContact NZ-O 3.48Å; E96-H98 PolarHBondContact O-N 3.5Å; H98-S100 PolarHBondContact O-N 3.47Å
99V84.8Confident86Confident54 Ų5457.6 Ų57.633%0.32730%0.298SS..  trans-71.4129-177.1-168.20000109.2E96 V101 K176 L178E96-V99 PolarHBondContact O-N 3.35Å; V99-V101 HydrophobicContact CB-CG1 4.19Å; V99-V101 HydrophobicContact CG1-CG1 3.59Å; V99-V101 PolarHBondContact O-N 3.11Å; V99-K176 WeakPolarHBondContact O-CD 3.46Å; V99-K176 PolarHBondContact O-NZ 2.98Å; V99-L178 HydrophobicContact CG2-CD2 4.49Å
100S87Confident86.4Confident50 Ų5054.5 Ų54.535%0.3529%0.285SS..  trans-77.3104.6167.620.60000107.9E82 K84 H98E82-S100 WeakPolarHBondContact OE1-CB 3.49Å; E82-S100 PolarHBondContact OE1-OG 3.11Å; K84-S100 PolarHBondContact NZ-OG 2.87Å; K84-S100 VanDerWaalsContact NZ-OG 3.09Å; H98-S100 PolarHBondContact O-N 3.47Å
101V92.5Very high86.7Confident20 Ų2055.8 Ų55.812%0.12129%0.292CS..  trans-122.6145.1174.4-59.50000109.1V99 K103 Y153 V156 K176V99-V101 HydrophobicContact CB-CG1 4.19Å; V99-V101 HydrophobicContact CG1-CG1 3.59Å; V99-V101 PolarHBondContact O-N 3.11Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 WeakPolarHBondContact CG2-O 3.38Å; V101-Y153 WeakPolarHBondContact O-CB 3.27Å; V101-V156 HydrophobicContact CG2-CG1 3.93Å; V101-V156 WeakPolarHBondContact O-CB 3.5Å; V101-V156 VanDerWaalsContact O-CG2 3.3Å; V101-V156 WeakPolarHBondContact O-CG2 3.2Å; V101-K176 HydrophobicContact CG2-CB 3.6Å; V101-K176 HydrophobicContact CG2-CD 4.17Å; V101-K176 HydrophobicContact CG2-CG 3.82Å
102K94.6Very high87.1Confident111 Ų11161 Ų6148%0.48332%0.316SS..SBendtrans-934.4173.9-58.4-172.9175.5-162.50112.6T149 F150 D151K102-T149 CarbonylContact O-C 3.54Å; K102-T149 WeakPolarHBondContact O-CA 3.22Å; K102-F150 PolarHBondContact O-N 2.92Å; K102-D151 WeakPolarHBondContact CD-O 3.4Å; K102-D151 WeakPolarHBondContact CE-O 3.48Å; K102-D151 PolarHBondContact NZ-O 2.91Å
103K95.4Very high87.8Confident62 Ų6258.2 Ų58.227%0.2730%0.302SS..EExtended strand (participates in β ladder)trans-123.6133.9-173.1-167.5166.6-172.9153.80110.3V101 F147 V148 A177V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 WeakPolarHBondContact CG2-O 3.38Å; K103-F147 HydrophobicContact CD-CB 4.32Å; K103-F147 HydrophobicContact CD-CD1 4.35Å; K103-F147 HydrophobicContact CG-CB 4.24Å; K103-F147 HydrophobicContact CG-CD1 4.29Å; K103-V148 CarbonylContact C-O 3.51Å; K103-V148 WeakPolarHBondContact CA-O 2.94Å; K103-A177 HydrophobicContact CB-CB 3.84Å; K103-A177 HydrophobicContact CD-CB 4.39Å; K103-A177 HydrophobicContact CG-CB 3.71Å; K103-A177 WeakPolarHBondContact O-CB 3.23Å; K103-A177 PolarHBondContact O-N 3.13Å
104V95.4Very high88.5Confident0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-105.9135.1176.8-1770000108.9I106 F147 V148 F150 V156 V159 V174V104-I106 HydrophobicContact CG1-CG1 4.08Å; V104-F147 VanDerWaalsContact O-CA 3.24Å; V104-F147 WeakPolarHBondContact O-CA 3.22Å; V104-V148 PolarHBondContact N-O 3.33Å; V104-V148 PolarHBondContact O-N 3.07Å; V104-F150 HydrophobicContact CG2-CD2 4.09Å; V104-F150 HydrophobicContact CG2-CE2 3.69Å; V104-V156 HydrophobicContact CG2-CB 4.09Å; V104-V156 HydrophobicContact CG2-CG1 3.81Å; V104-V156 HydrophobicContact CG2-CG2 3.78Å; V104-V159 HydrophobicContact CG1-CG1 3.9Å; V104-V159 HydrophobicContact CG2-CG1 4.27Å; V104-V174 HydrophobicContact CG1-CB 3.99Å; V104-V174 HydrophobicContact CG1-CG1 4.07Å
105Y94.5Very high89.1Confident71 Ų7154.9 Ų54.928%0.27829%0.287SS..EExtended strand (participates in β ladder)trans-94.1126.9166.8171.1-95.3000108.6F145 F147 V174 K175Y105-F145 HydrophobicContact CD2-CD2 4.28Å; Y105-F145 HydrophobicContact CE2-CB 3.68Å; Y105-F145 AromaticContact CE2-CD2 3.59Å; Y105-F145 HydrophobicContact CE2-CD2 3.59Å; Y105-F145 HydrophobicContact CE2-CE2 4.38Å; Y105-F145 AromaticContact CE2-CG 3.78Å; Y105-F145 HydrophobicContact CE2-CG 3.78Å; Y105-F147 HydrophobicContact CD2-CD1 4.27Å; Y105-F147 AromaticContact CD2-CE1 3.65Å; Y105-F147 HydrophobicContact CD2-CE1 3.65Å; Y105-F147 AromaticContact CD2-CZ 3.88Å; Y105-F147 HydrophobicContact CD2-CZ 3.88Å; Y105-F147 HydrophobicContact CE2-CZ 4.48Å; Y105-F147 HydrophobicContact CG-CE1 4.37Å; Y105-V174 WeakPolarHBondContact O-CA 3.42Å; Y105-K175 HydrophobicContact CD1-CB 4.4Å; Y105-K175 PolarHBondContact N-O 3.33Å; Y105-K175 PolarHBondContact O-N 3.21Å
106I95.1Very high90Very high0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-117.1119.1179.4-50.4158.1000107.9V104 I109 L118 F122 F145 A146 V148 C172 D173 V174V104-I106 HydrophobicContact CG1-CG1 4.08Å; I106-I109 HydrophobicContact CB-CD1 4.26Å; I106-I109 HydrophobicContact CG2-CD1 3.63Å; I106-I109 HydrophobicContact CG2-CG1 4.23Å; I106-L118 HydrophobicContact CD1-CD1 4.48Å; I106-L118 HydrophobicContact CD1-CD2 4.46Å; I106-F122 HydrophobicContact CD1-CD2 4.05Å; I106-F122 HydrophobicContact CD1-CE2 3.29Å; I106-F122 HydrophobicContact CD1-CZ 3.71Å; I106-F122 HydrophobicContact CG1-CE2 4.12Å; I106-F122 HydrophobicContact CG1-CZ 4.03Å; I106-F145 CarbonylContact O-C 3.55Å; I106-F145 WeakPolarHBondContact O-CA 3.44Å; I106-F145 VanDerWaalsContact O-CB 3.23Å; I106-F145 WeakPolarHBondContact O-CB 3.4Å; I106-A146 HydrophobicContact CD1-CB 4.48Å; I106-A146 PolarHBondContact N-O 3.13Å; I106-A146 PolarHBondContact O-N 2.68Å; I106-V148 HydrophobicContact CD1-CB 4.2Å; I106-V148 HydrophobicContact CD1-CG2 3.41Å; I106-V148 VanDerWaalsContact CD1-CG2 3.41Å; I106-C172 HydrophobicContact CG2-CB 3.76Å; I106-D173 WeakPolarHBondContact CA-O 3.46Å; I106-V174 HydrophobicContact CG1-CG1 4.07Å; I106-V174 HydrophobicContact CG2-CG1 4.29Å
107S94.1Very high90.6Very high27 Ų2759.1 Ų59.119%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-103.2154.7171.5490000111.5C172 D173S107-C172 CarbonylContact O-C 3.58Å; S107-C172 VanDerWaalsContact O-CA 3.27Å; S107-C172 WeakPolarHBondContact O-CA 3.02Å; S107-D173 PolarHBondContact N-O 2.66Å; S107-D173 PolarHBondContact O-N 2.77Å; S107-D173 PolarHBondContact OG-O 2.69Å
108G93.2Very high91.3Very high34 Ų3458.9 Ų58.935%0.35130%0.299SS..  trans89.518.9-178.700000113.6K110 G144G108-K110 PolarHBondContact O-N 3.45Å; G108-G144 PolarHBondContact N-O 3.45Å
109I93.3Very high92.2Very high7 Ų759.2 Ų59.24%0.03630%0.296CS..  trans-68.8127.1172.7-58.8-59.6000108.5I106 H113 L118 I133 K142 G144 A146I106-I109 HydrophobicContact CB-CD1 4.26Å; I106-I109 HydrophobicContact CG2-CD1 3.63Å; I106-I109 HydrophobicContact CG2-CG1 4.23Å; I109-H113 HydrophobicContact CG2-CB 3.9Å; I109-L118 HydrophobicContact CD1-CD1 4.05Å; I109-L118 HydrophobicContact CD1-CD2 3.83Å; I109-I133 HydrophobicContact CG2-CG2 4.23Å; I109-K142 HydrophobicContact CG2-CD 4.43Å; I109-G144 PolarHBondContact N-O 3.34Å; I109-G144 VanDerWaalsContact O-CA 3.25Å; I109-G144 WeakPolarHBondContact O-CA 3.46Å; I109-A146 HydrophobicContact CD1-CB 4.14Å; I109-A146 HydrophobicContact CG1-CB 3.78Å
110K90.2Very high92.7Very high113 Ų11361.9 Ų61.949%0.49131%0.309SS..  trans-106.3173.3176.1-56.9-157.5-163.8170.90110.5G108 E112 H113 K170G108-K110 PolarHBondContact O-N 3.45Å; K110-E112 PolarHBondContact O-N 3.18Å; K110-E112 VanDerWaalsContact O-N 3.15Å; K110-H113 PolarHBondContact N-ND1 2.8Å; K110-H113 PolarHBondContact O-N 2.99Å; K110-H113 VanDerWaalsContact O-N 3.07Å; K110-K170 HydrophobicContact CB-CD 4Å; K110-K170 HydrophobicContact CD-CD 3.63Å; K110-K170 HydrophobicContact CD-CG 4.28Å; K110-K170 HydrophobicContact CG-CD 3.88Å
111D87.4Confident93Very high112 Ų11261.7 Ų61.760%0.59930%0.301SS*.THydrogen-bonded Turntrans-60-25.1-178.4-67.4-27.2000113.9K142D111-K142 PolarHBondContact O-NZ 3.18Å
112E88.2Confident93.1Very high119 Ų11960.7 Ų60.756%0.55630%0.295SS*.THydrogen-bonded Turntrans-75.4-24.2176.6-70.4157.6-122.900113.9K110 T114 K170K110-E112 PolarHBondContact O-N 3.18Å; K110-E112 VanDerWaalsContact O-N 3.15Å; E112-T114 PolarHBondContact O-N 3.14Å; E112-K170 IonicContact OE1-NZ 3.12Å; E112-K170 PolarHBondContact OE1-NZ 3.13Å; E112-K170 VanDerWaalsContact OE2-CE 3.24Å; E112-K170 WeakPolarHBondContact OE2-CE 3.37Å; E112-K170 IonicContact OE2-NZ 2.84Å; E112-K170 PolarHBondContact OE2-NZ 3.21Å
113H90.9Very high93.1Very high0 Ų058.4 Ų58.40%029%0.292CS..  trans-74.6116.2-175.7-68.1105.5000112I109 K110 I133 K142 I167 K170I109-H113 HydrophobicContact CG2-CB 3.9Å; K110-H113 PolarHBondContact N-ND1 2.8Å; K110-H113 PolarHBondContact O-N 2.99Å; K110-H113 VanDerWaalsContact O-N 3.07Å; H113-I133 WeakPolarHBondContact O-CD1 3.48Å; H113-K142 PolarHBondContact O-NZ 3.04Å; H113-I167 PolarHBondContact NE2-O 2.72Å; H113-K170 VanDerWaalsContact CE1-CD 3.44Å; H113-K170 WeakPolarHBondContact CE1-CD 3.31Å
114T92Very high93Very high60 Ų6060.9 Ų60.937%0.36830%0.303SS..  trans-93.7165.2174.868.10000112.3E112 E116 M117 L118E112-T114 PolarHBondContact O-N 3.14Å; T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.28Å; T114-M117 HydrophobicContact CG2-SD 4.11Å; T114-M117 PolarHBondContact N-SD 2.84Å; T114-M117 VanDerWaalsContact N-SD 3.4Å; T114-M117 PolarHBondContact O-N 3.21Å; T114-M117 WeakPolarHBondContact OG1-CG 3.38Å; T114-M117 PolarHBondContact OG1-N 3.08Å; T114-M117 PolarHBondContact OG1-SD 3.09Å; T114-L118 PolarHBondContact O-N 3.12Å
115E92.8Very high92.9Very high102 Ų10262.4 Ų62.448%0.47731%0.309SS..Hα-helixtrans-62.1-37.6175.8-67.1-177.1177.300111.8L118 R119 V131 I133E115-L118 PolarHBondContact O-N 2.69Å; E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 2.79Å; E115-V131 HydrophobicContact CB-CB 4.3Å; E115-V131 HydrophobicContact CB-CG1 4.03Å; E115-V131 HydrophobicContact CG-CG1 4.15Å; E115-I133 HydrophobicContact CB-CD1 4.43Å; E115-I133 HydrophobicContact CG-CB 4.45Å; E115-I133 HydrophobicContact CG-CD1 3.7Å; E115-I133 HydrophobicContact CG-CG1 3.88Å
116E93.4Very high92.8Very high145 Ų14560.1 Ų60.168%0.67831%0.307SS*.Hα-helixtrans-61.9-46.3175.6-64.7178.6171.200111.3T114 L118 R119 D120T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.28Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 3.28Å; E116-R119 WeakPolarHBondContact O-CB 3.34Å; E116-R119 PolarHBondContact O-N 2.64Å; E116-R119 VanDerWaalsContact O-N 3.13Å; E116-D120 WeakPolarHBondContact O-CB 3.41Å; E116-D120 PolarHBondContact O-N 2.76Å
117M92.3Very high92.8Very high53 Ų5363.5 Ų63.526%0.26133%0.331SS..Hα-helixtrans-60.2-41.1178-68.6164.377.200112.4T114 Y121 D168T114-M117 HydrophobicContact CG2-SD 4.11Å; T114-M117 PolarHBondContact N-SD 2.84Å; T114-M117 VanDerWaalsContact N-SD 3.4Å; T114-M117 PolarHBondContact O-N 3.21Å; T114-M117 WeakPolarHBondContact OG1-CG 3.38Å; T114-M117 PolarHBondContact OG1-N 3.08Å; T114-M117 PolarHBondContact OG1-SD 3.09Å; M117-Y121 VanDerWaalsContact O-CB 3.26Å; M117-Y121 WeakPolarHBondContact O-CB 3.42Å; M117-Y121 PolarHBondContact O-N 3.1Å; M117-D168 HydrophobicContact CE-CB 3.32Å; M117-D168 VanDerWaalsContact CE-CG 3.46Å; M117-D168 VanDerWaalsContact CE-OD2 3.25Å; M117-D168 WeakPolarHBondContact CE-OD2 3.32Å
118L93.7Very high93Very high0 Ų062.9 Ų62.90%033%0.326CS..Hα-helixtrans-67.7-44.7175.4-64.1179000110.6I106 I109 T114 E115 E116 D120 Y121 F122 V131 I133 A146 I167I106-L118 HydrophobicContact CD1-CD1 4.48Å; I106-L118 HydrophobicContact CD1-CD2 4.46Å; I109-L118 HydrophobicContact CD1-CD1 4.05Å; I109-L118 HydrophobicContact CD1-CD2 3.83Å; T114-L118 PolarHBondContact O-N 3.12Å; E115-L118 PolarHBondContact O-N 2.69Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 3.28Å; L118-D120 PolarHBondContact O-N 3.23Å; L118-Y121 PolarHBondContact O-N 3.2Å; L118-F122 HydrophobicContact CB-CD2 4.3Å; L118-F122 HydrophobicContact CD2-CE2 4.11Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å; L118-F122 PolarHBondContact O-N 2.83Å; L118-V131 HydrophobicContact CB-CG1 3.91Å; L118-V131 HydrophobicContact CD1-CG1 3.91Å; L118-I133 HydrophobicContact CD1-CD1 3.83Å; L118-I133 HydrophobicContact CD1-CG1 3.78Å; L118-A146 HydrophobicContact CD1-CB 3.67Å; L118-I167 HydrophobicContact CD2-CD1 3.71Å; L118-I167 HydrophobicContact CD2-CG2 4.28Å
119R95.3Very high93.1Very high104 Ų10465.4 Ų65.439%0.39233%0.334SS..Hα-helixtrans-56.6-51.3177.6-178-178.9-71.2-87.11.1110.8E115 E116 Y121 F122 S123 V128 V131E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 2.79Å; E116-R119 WeakPolarHBondContact O-CB 3.34Å; E116-R119 PolarHBondContact O-N 2.64Å; E116-R119 VanDerWaalsContact O-N 3.13Å; R119-Y121 PolarHBondContact O-N 3.34Å; R119-F122 PolarHBondContact O-N 2.82Å; R119-S123 WeakPolarHBondContact O-CB 3.35Å; R119-S123 PolarHBondContact O-N 2.76Å; R119-V128 HydrophobicContact CG-CB 4.36Å; R119-V128 HydrophobicContact CG-CG1 4.33Å; R119-V128 PolarHBondContact NH1-O 3.31Å; R119-V131 HydrophobicContact CB-CG2 3.95Å
120D94.5Very high93.2Very high109 Ų10969.3 Ų69.358%0.58335%0.352SS*.Hα-helixtrans-63-45.7-179.1-69.6-7.8000111.1E116 L118 F122 S123E116-D120 WeakPolarHBondContact O-CB 3.41Å; E116-D120 PolarHBondContact O-N 2.76Å; L118-D120 PolarHBondContact O-N 3.23Å; D120-F122 PolarHBondContact O-N 2.99Å; D120-S123 PolarHBondContact O-N 2.91Å; D120-S123 PolarHBondContact O-OG 3.46Å
121Y94.4Very high93.5Very high46 Ų4664.4 Ų64.418%0.1833%0.332CS..Hα-helixtrans-63-42.2178.4-175.7-91.7000112.9M117 L118 R119 K124 Y125 H165 I167M117-Y121 VanDerWaalsContact O-CB 3.26Å; M117-Y121 WeakPolarHBondContact O-CB 3.42Å; M117-Y121 PolarHBondContact O-N 3.1Å; L118-Y121 PolarHBondContact O-N 3.2Å; R119-Y121 PolarHBondContact O-N 3.34Å; Y121-K124 VanDerWaalsContact O-CD 3.29Å; Y121-K124 WeakPolarHBondContact O-CD 3.43Å; Y121-K124 WeakPolarHBondContact O-CE 3.36Å; Y121-K124 WeakPolarHBondContact O-CG 3.41Å; Y121-K124 PolarHBondContact OH-NZ 3.15Å; Y121-K124 VanDerWaalsContact OH-NZ 3.08Å; Y121-Y125 HydrophobicContact CE1-CE2 4.22Å; Y121-H165 HydrophobicContact CE1-CB 3.66Å; Y121-H165 AromaticContact CE1-CG 3.77Å; Y121-H165 AromaticContact CE1-ND1 3.78Å; Y121-H165 AromaticContact CZ-ND1 3.92Å; Y121-H165 WeakPolarHBondContact OH-CB 3.12Å; Y121-H165 PolarHBondContact OH-ND1 3.02Å; Y121-H165 VanDerWaalsContact OH-ND1 3.15Å; Y121-I167 HydrophobicContact CD1-CD1 3.74Å; Y121-I167 HydrophobicContact CD1-CG1 3.76Å; Y121-I167 HydrophobicContact CD2-CG1 4.15Å; Y121-I167 HydrophobicContact CE1-CD1 4.13Å; Y121-I167 HydrophobicContact CE1-CG1 3.91Å; Y121-I167 HydrophobicContact CE2-CG1 4.27Å; Y121-I167 HydrophobicContact CG-CD1 4.17Å; Y121-I167 HydrophobicContact CG-CG1 3.9Å; Y121-I167 HydrophobicContact CG-CG2 4.41Å
122F95Very high93.8Very high0 Ų060.6 Ų60.60%031%0.312CS..Hα-helixtrans-84-19.1-177.3-75.3-66.6000113.4I106 L118 R119 D120 K124 Y125 V128 V148 F150 V159 I167 V174I106-F122 HydrophobicContact CD1-CD2 4.05Å; I106-F122 HydrophobicContact CD1-CE2 3.29Å; I106-F122 HydrophobicContact CD1-CZ 3.71Å; I106-F122 HydrophobicContact CG1-CE2 4.12Å; I106-F122 HydrophobicContact CG1-CZ 4.03Å; L118-F122 HydrophobicContact CB-CD2 4.3Å; L118-F122 HydrophobicContact CD2-CE2 4.11Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å; L118-F122 PolarHBondContact O-N 2.83Å; R119-F122 PolarHBondContact O-N 2.82Å; D120-F122 PolarHBondContact O-N 2.99Å; F122-K124 PolarHBondContact O-N 3.23Å; F122-Y125 HydrophobicContact CD1-CD2 4.08Å; F122-Y125 HydrophobicContact CD1-CE2 4.33Å; F122-Y125 PolarHBondContact O-N 3.05Å; F122-V128 HydrophobicContact CB-CG2 3.99Å; F122-V148 HydrophobicContact CB-CG1 4.23Å; F122-V148 HydrophobicContact CD2-CG2 3.9Å; F122-V148 HydrophobicContact CE2-CG2 4.34Å; F122-V148 HydrophobicContact CG-CG1 4.43Å; F122-F150 HydrophobicContact CB-CE1 4.41Å; F122-F150 HydrophobicContact CB-CZ 3.87Å; F122-F150 HydrophobicContact CD1-CZ 4.3Å; F122-F150 HydrophobicContact CG-CZ 4.39Å; F122-V159 HydrophobicContact CD1-CG1 4.25Å; F122-V159 HydrophobicContact CD1-CG2 3.81Å; F122-V159 HydrophobicContact CE1-CG1 3.67Å; F122-V159 HydrophobicContact CE1-CG2 4.04Å; F122-I167 HydrophobicContact CE2-CD1 3.64Å; F122-I167 HydrophobicContact CZ-CD1 3.83Å; F122-V174 HydrophobicContact CE1-CG1 4.34Å; F122-V174 HydrophobicContact CZ-CG1 4.1Å
123S94.7Very high94.2Very high62 Ų6255.8 Ų55.843%0.43429%0.289SS..Hα-helixtrans-57.9-28.5175.772.50000113.1R119 D120 Y125 G126R119-S123 WeakPolarHBondContact O-CB 3.35Å; R119-S123 PolarHBondContact O-N 2.76Å; D120-S123 PolarHBondContact O-N 2.91Å; D120-S123 PolarHBondContact O-OG 3.46Å; S123-Y125 PolarHBondContact O-N 3.02Å; S123-G126 WeakPolarHBondContact CA-O 3.45Å; S123-G126 PolarHBondContact O-N 3.39Å; S123-G126 VanDerWaalsContact O-N 3.14Å
124K93.5Very high94.3Very high115 Ų11559.1 Ų59.150%0.530%0.304SS..THydrogen-bonded Turntrans-63-21.3175.578.6-168.9176.8173.50113.8Y121 F122Y121-K124 VanDerWaalsContact O-CD 3.29Å; Y121-K124 WeakPolarHBondContact O-CD 3.43Å; Y121-K124 WeakPolarHBondContact O-CE 3.36Å; Y121-K124 WeakPolarHBondContact O-CG 3.41Å; Y121-K124 PolarHBondContact OH-NZ 3.15Å; Y121-K124 VanDerWaalsContact OH-NZ 3.08Å; F122-K124 PolarHBondContact O-N 3.23Å
125Y92.7Very high94.3Very high32 Ų3259.3 Ų59.313%0.12531%0.305CS..THydrogen-bonded Turntrans-92.5-24176.6-63-76.6000112.4Y121 F122 S123 R158 V159 E162 H165Y121-Y125 HydrophobicContact CE1-CE2 4.22Å; F122-Y125 HydrophobicContact CD1-CD2 4.08Å; F122-Y125 HydrophobicContact CD1-CE2 4.33Å; F122-Y125 PolarHBondContact O-N 3.05Å; S123-Y125 PolarHBondContact O-N 3.02Å; Y125-R158 HydrophobicContact CD1-CB 3.87Å; Y125-R158 HydrophobicContact CE1-CB 4.46Å; Y125-R158 PolarHBondContact O-NH1 3.21Å; Y125-R158 VanDerWaalsContact O-NH1 3.11Å; Y125-R158 PolarHBondContact O-NH2 3.39Å; Y125-V159 HydrophobicContact CD1-CG2 4.07Å; Y125-V159 HydrophobicContact CD2-CG2 3.46Å; Y125-V159 VanDerWaalsContact CD2-CG2 3.46Å; Y125-V159 HydrophobicContact CE1-CG2 4.49Å; Y125-V159 HydrophobicContact CE2-CG2 3.9Å; Y125-V159 HydrophobicContact CG-CG2 3.55Å; Y125-E162 PolarHBondContact OH-OE2 3.28Å; Y125-H165 AromaticContact CZ-CE1 3.75Å; Y125-H165 PolarHBondContact OH-CE1 2.88Å; Y125-H165 VanDerWaalsContact OH-CE1 3.25Å; Y125-H165 PolarHBondContact OH-ND1 2.93Å
126G92.4Very high94.1Very high22 Ų2257.5 Ų57.523%0.22730%0.298CS..SBendtrans164.1-176.4-177.600000112.5S123 V128S123-G126 WeakPolarHBondContact CA-O 3.45Å; S123-G126 PolarHBondContact O-N 3.39Å; S123-G126 VanDerWaalsContact O-N 3.14Å; G126-V128 PolarHBondContact O-N 3.03Å
127S95.5Very high93.8Very high71 Ų7160.2 Ų60.250%0.49731%0.311SS..  trans-73.8115-176.7-169.60000111.4F150 D151S127-F150 WeakPolarHBondContact O-CA 3.48Å; S127-F150 WeakPolarHBondContact O-CD1 3.36Å; S127-D151 WeakPolarHBondContact CB-OD2 3.28Å; S127-D151 PolarHBondContact O-N 3.42Å
128V96.7Very high93.6Very high15 Ų1562.1 Ų62.19%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-86114178.3177.50000109.7R119 F122 G126 V131 V148 F150R119-V128 HydrophobicContact CG-CB 4.36Å; R119-V128 HydrophobicContact CG-CG1 4.33Å; R119-V128 PolarHBondContact NH1-O 3.31Å; F122-V128 HydrophobicContact CB-CG2 3.99Å; G126-V128 PolarHBondContact O-N 3.03Å; V128-V131 HydrophobicContact CG1-CG2 3.63Å; V128-V148 HydrophobicContact CG1-CG1 3.81Å; V128-V148 HydrophobicContact CG2-CG1 4.13Å; V128-F150 HydrophobicContact CG2-CD1 4.13Å; V128-F150 HydrophobicContact CG2-CE1 3.71Å; V128-F150 HydrophobicContact CG2-CZ 4.3Å
129V96.5Very high93.4Very high87 Ų8766 Ų6653%0.52736%0.359SS..EExtended strand (participates in β ladder)trans-78.8-48.5178177.40000110.7T149 D151V129-T149 WeakPolarHBondContact CB-O 3.43Å; V129-T149 PolarHBondContact N-O 3.15Å; V129-D151 HydrophobicContact CG2-CB 3.91Å
130E95.7Very high92.9Very high89 Ų8963.9 Ų63.942%0.41637%0.369SS..EExtended strand (participates in β ladder)trans-144.6141.4-172.3-172.7-169.6-161.300110.5V148 T149E130-V148 CarbonylContact O-C 3.53Å; E130-V148 WeakPolarHBondContact O-CA 3.5Å; E130-T149 PolarHBondContact N-O 2.91Å; E130-T149 PolarHBondContact O-N 2.9Å; E130-T149 PolarHBondContact OE2-OG1 3.41Å
131V95.9Very high92.5Very high10 Ų1065.2 Ų65.26%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-122.4130.3168.3-177.40000107.2E115 L118 R119 V128 I133 F147 V148E115-V131 HydrophobicContact CB-CB 4.3Å; E115-V131 HydrophobicContact CB-CG1 4.03Å; E115-V131 HydrophobicContact CG-CG1 4.15Å; L118-V131 HydrophobicContact CB-CG1 3.91Å; L118-V131 HydrophobicContact CD1-CG1 3.91Å; R119-V131 HydrophobicContact CB-CG2 3.95Å; V128-V131 HydrophobicContact CG1-CG2 3.63Å; V131-I133 HydrophobicContact CG1-CG1 4.47Å; V131-F147 WeakPolarHBondContact CA-O 3.38Å; V131-V148 HydrophobicContact CG1-CG2 4.23Å; V131-V148 HydrophobicContact CG2-CG2 4.22Å
132D94.6Very high92.3Very high32 Ų3265.6 Ų65.617%0.17137%0.373CS..EExtended strand (participates in β ladder)trans-135.492.3-172.3173.717.4000109.3K134 A146 F147D132-K134 WeakPolarHBondContact OD1-CD 3.42Å; D132-K134 VanDerWaalsContact OD1-CE 3.27Å; D132-K134 WeakPolarHBondContact OD1-CE 3.26Å; D132-K134 IonicContact OD1-NZ 2.77Å; D132-K134 PolarHBondContact OD1-NZ 3.03Å; D132-K134 WeakPolarHBondContact OD2-CE 3.24Å; D132-K134 IonicContact OD2-NZ 3.14Å; D132-K134 PolarHBondContact OD2-NZ 3.5Å; D132-A146 CarbonylContact O-C 3.58Å; D132-A146 WeakPolarHBondContact O-CA 3.35Å; D132-F147 HydrophobicContact CB-CB 4.41Å; D132-F147 PolarHBondContact N-O 2.98Å; D132-F147 PolarHBondContact O-N 3.23Å
133I94.8Very high92.1Very high17 Ų1773.2 Ų73.29%0.08740%0.401CS..EExtended strand (participates in β ladder)trans-81.9119176.3-62.9179.1000108.8I109 H113 E115 L118 V131 V135 K142 A146I109-I133 HydrophobicContact CG2-CG2 4.23Å; H113-I133 WeakPolarHBondContact O-CD1 3.48Å; E115-I133 HydrophobicContact CB-CD1 4.43Å; E115-I133 HydrophobicContact CG-CB 4.45Å; E115-I133 HydrophobicContact CG-CD1 3.7Å; E115-I133 HydrophobicContact CG-CG1 3.88Å; L118-I133 HydrophobicContact CD1-CD1 3.83Å; L118-I133 HydrophobicContact CD1-CG1 3.78Å; V131-I133 HydrophobicContact CG1-CG1 4.47Å; I133-V135 PolarHBondContact O-N 3.37Å; I133-K142 HydrophobicContact CG2-CD 3.94Å; I133-K142 HydrophobicContact CG2-CG 4.13Å; I133-A146 HydrophobicContact CB-CB 4.36Å; I133-A146 HydrophobicContact CG1-CB 3.84Å
134K93.3Very high92Very high70 Ų7071.5 Ų71.530%0.30439%0.394SS..EExtended strand (participates in β ladder)trans-79.7122.9-178.7-67.4-50.3-174-163.70111.5D132 R143 F145 F147D132-K134 WeakPolarHBondContact OD1-CD 3.42Å; D132-K134 VanDerWaalsContact OD1-CE 3.27Å; D132-K134 WeakPolarHBondContact OD1-CE 3.26Å; D132-K134 IonicContact OD1-NZ 2.77Å; D132-K134 PolarHBondContact OD1-NZ 3.03Å; D132-K134 WeakPolarHBondContact OD2-CE 3.24Å; D132-K134 IonicContact OD2-NZ 3.14Å; D132-K134 PolarHBondContact OD2-NZ 3.5Å; K134-R143 HydrophobicContact CB-CB 4.41Å; K134-R143 WeakPolarHBondContact O-CB 3.46Å; K134-R143 PolarHBondContact O-N 2.99Å; K134-F145 HydrophobicContact CB-CD2 4.04Å; K134-F145 HydrophobicContact CB-CE1 4.34Å; K134-F145 HydrophobicContact CB-CE2 3.59Å; K134-F145 HydrophobicContact CB-CZ 3.74Å; K134-F145 HydrophobicContact CG-CD2 3.98Å; K134-F145 HydrophobicContact CG-CE2 3.38Å; K134-F145 HydrophobicContact CG-CZ 3.93Å; K134-F145 PolarHBondContact N-O 2.57Å; K134-F145 VanDerWaalsContact N-O 3.09Å; K134-F147 HydrophobicContact CG-CD2 4.24Å; K134-F147 HydrophobicContact CG-CE2 4.06Å
135V92Very high92.1Very high65 Ų6567.5 Ų67.539%0.39438%0.376SS..EExtended strand (participates in β ladder)trans-108.3142.9175.9-175.60000109.2I133 Q137 G140 K141 K142I133-V135 PolarHBondContact O-N 3.37Å; V135-Q137 PolarHBondContact O-N 3.32Å; V135-G140 WeakPolarHBondContact CG1-O 3.14Å; V135-K141 CarbonylContact C-O 3.56Å; V135-K141 WeakPolarHBondContact CA-O 3.35Å; V135-K141 WeakPolarHBondContact CG1-O 3.3Å; V135-K142 HydrophobicContact CG2-CG 4.37Å
136D89.8Confident92.2Very high63 Ų6366 Ų6634%0.33737%0.37SS..  trans-72.4118.5171.3175.711.4000108.6A138 T139 G140 K141 R143D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 PolarHBondContact OD1-N 3.47Å; D136-A138 VanDerWaalsContact OD1-N 3.12Å; D136-T139 WeakPolarHBondContact CB-OG1 3.07Å; D136-T139 PolarHBondContact O-N 2.82Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.48Å; D136-T139 PolarHBondContact OD2-OG1 3.13Å; D136-G140 WeakPolarHBondContact O-CA 3.26Å; D136-G140 PolarHBondContact O-N 3.36Å; D136-K141 PolarHBondContact N-O 3.18Å; D136-R143 HydrophobicContact CB-CG 4.01Å
137Q86.9Confident92.4Very high202 Ų20266.3 Ų66.394%0.94437%0.366SS*.THydrogen-bonded Turntrans-65.6-24.4-175.3-66.4-178.2-8.200112.7V135V135-Q137 PolarHBondContact O-N 3.32Å
138A87.3Confident92.4Very high93 Ų9363 Ų6377%0.76934%0.342SS*.THydrogen-bonded Turntrans-80-38.6179.800000112.5D136D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 PolarHBondContact OD1-N 3.47Å; D136-A138 VanDerWaalsContact OD1-N 3.12Å
139T89Confident92.4Very high83 Ų8363.5 Ų63.551%0.50935%0.345SS..THydrogen-bonded Turntrans-106.6-14.2-172.161.30000114D136 K141D136-T139 WeakPolarHBondContact CB-OG1 3.07Å; D136-T139 PolarHBondContact O-N 2.82Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.48Å; D136-T139 PolarHBondContact OD2-OG1 3.13Å; T139-K141 PolarHBondContact O-N 2.87Å; T139-K141 PolarHBondContact OG1-N 2.77Å
140G85.5Confident92.4Very high58 Ų5859.4 Ų59.460%0.59832%0.321SS*.  trans68.85.1-171.100000113.9V135 D136V135-G140 WeakPolarHBondContact CG1-O 3.14Å; D136-G140 WeakPolarHBondContact O-CA 3.26Å; D136-G140 PolarHBondContact O-N 3.36Å
141K87.3Confident92.4Very high137 Ų13759 Ų5960%0.59632%0.321SS*.  trans-87.7147-178.7-65.5-173.5177.4-176.20111.6V135 D136 T139 R143V135-K141 CarbonylContact C-O 3.56Å; V135-K141 WeakPolarHBondContact CA-O 3.35Å; V135-K141 WeakPolarHBondContact CG1-O 3.3Å; D136-K141 PolarHBondContact N-O 3.18Å; T139-K141 PolarHBondContact O-N 2.87Å; T139-K141 PolarHBondContact OG1-N 2.77Å; K141-R143 PolarHBondContact O-N 3.42Å
142K90Very high92.3Very high55 Ų5560.1 Ų60.124%0.23933%0.327CS..EExtended strand (participates in β ladder)trans-64.5134.2176.9-62.9-177-171.3167.30109.6I109 D111 H113 I133 V135 G144I109-K142 HydrophobicContact CG2-CD 4.43Å; D111-K142 PolarHBondContact O-NZ 3.18Å; H113-K142 PolarHBondContact O-NZ 3.04Å; I133-K142 HydrophobicContact CG2-CD 3.94Å; I133-K142 HydrophobicContact CG2-CG 4.13Å; V135-K142 HydrophobicContact CG2-CG 4.37Å; K142-G144 PolarHBondContact O-N 2.8Å; K142-G144 VanDerWaalsContact O-N 3.13Å
143R90.4Very high92.3Very high159 Ų15960.4 Ų60.460%0.633%0.326SS*.EExtended strand (participates in β ladder)trans-73.91.9-178.2-67-17561.2-172.9-3.7114K134 D136 K141 F145K134-R143 HydrophobicContact CB-CB 4.41Å; K134-R143 WeakPolarHBondContact O-CB 3.46Å; K134-R143 PolarHBondContact O-N 2.99Å; D136-R143 HydrophobicContact CB-CG 4.01Å; K141-R143 PolarHBondContact O-N 3.42Å; R143-F145 HydrophobicContact CB-CD1 3.76Å; R143-F145 HydrophobicContact CB-CE1 3.44Å; R143-F145 VanDerWaalsContact CB-CE1 3.44Å; R143-F145 HydrophobicContact CB-CZ 4.26Å; R143-F145 HydrophobicContact CG-CE1 4.35Å; R143-F145 WeakPolarHBondContact O-CD1 3.46Å
144G92.6Very high92.2Very high27 Ų2760 Ų6028%0.27832%0.324SS..EExtended strand (participates in β ladder)trans893.1-177.800000115.1G108 I109 K142G108-G144 PolarHBondContact N-O 3.45Å; I109-G144 PolarHBondContact N-O 3.34Å; I109-G144 VanDerWaalsContact O-CA 3.25Å; I109-G144 WeakPolarHBondContact O-CA 3.46Å; K142-G144 PolarHBondContact O-N 2.8Å; K142-G144 VanDerWaalsContact O-N 3.13Å
145F94.3Very high92.3Very high30 Ų3056.8 Ų56.813%0.13231%0.31CS..EExtended strand (participates in β ladder)trans-146.7155.7-178.468-87.7000113.6Y105 I106 K134 R143 F147Y105-F145 HydrophobicContact CD2-CD2 4.28Å; Y105-F145 HydrophobicContact CE2-CB 3.68Å; Y105-F145 AromaticContact CE2-CD2 3.59Å; Y105-F145 HydrophobicContact CE2-CD2 3.59Å; Y105-F145 HydrophobicContact CE2-CE2 4.38Å; Y105-F145 AromaticContact CE2-CG 3.78Å; Y105-F145 HydrophobicContact CE2-CG 3.78Å; I106-F145 CarbonylContact O-C 3.55Å; I106-F145 WeakPolarHBondContact O-CA 3.44Å; I106-F145 VanDerWaalsContact O-CB 3.23Å; I106-F145 WeakPolarHBondContact O-CB 3.4Å; K134-F145 HydrophobicContact CB-CD2 4.04Å; K134-F145 HydrophobicContact CB-CE1 4.34Å; K134-F145 HydrophobicContact CB-CE2 3.59Å; K134-F145 HydrophobicContact CB-CZ 3.74Å; K134-F145 HydrophobicContact CG-CD2 3.98Å; K134-F145 HydrophobicContact CG-CE2 3.38Å; K134-F145 HydrophobicContact CG-CZ 3.93Å; K134-F145 PolarHBondContact N-O 2.57Å; K134-F145 VanDerWaalsContact N-O 3.09Å; R143-F145 HydrophobicContact CB-CD1 3.76Å; R143-F145 HydrophobicContact CB-CE1 3.44Å; R143-F145 VanDerWaalsContact CB-CE1 3.44Å; R143-F145 HydrophobicContact CB-CZ 4.26Å; R143-F145 HydrophobicContact CG-CE1 4.35Å; R143-F145 WeakPolarHBondContact O-CD1 3.46Å; F145-F147 AromaticContact CD2-CE2 3.96Å; F145-F147 HydrophobicContact CD2-CE2 3.96Å; F145-F147 HydrophobicContact CD2-CZ 4.37Å; F145-F147 AromaticContact CE2-CE2 3.74Å; F145-F147 HydrophobicContact CE2-CE2 3.74Å; F145-F147 HydrophobicContact CE2-CZ 4.21Å
146A95.4Very high92.4Very high0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-137.6164.4178.100000110.6I106 I109 L118 D132 I133I106-A146 HydrophobicContact CD1-CB 4.48Å; I106-A146 PolarHBondContact N-O 3.13Å; I106-A146 PolarHBondContact O-N 2.68Å; I109-A146 HydrophobicContact CD1-CB 4.14Å; I109-A146 HydrophobicContact CG1-CB 3.78Å; L118-A146 HydrophobicContact CD1-CB 3.67Å; D132-A146 CarbonylContact O-C 3.58Å; D132-A146 WeakPolarHBondContact O-CA 3.35Å; I133-A146 HydrophobicContact CB-CB 4.36Å; I133-A146 HydrophobicContact CG1-CB 3.84Å
147F96.1Very high92.5Very high30 Ų3050.8 Ų50.813%0.13228%0.276CS..EExtended strand (participates in β ladder)trans-120.2144.3167.2-60.4-89.4000111.1K103 V104 Y105 V131 D132 K134 F145 A177K103-F147 HydrophobicContact CD-CB 4.32Å; K103-F147 HydrophobicContact CD-CD1 4.35Å; K103-F147 HydrophobicContact CG-CB 4.24Å; K103-F147 HydrophobicContact CG-CD1 4.29Å; V104-F147 VanDerWaalsContact O-CA 3.24Å; V104-F147 WeakPolarHBondContact O-CA 3.22Å; Y105-F147 HydrophobicContact CD2-CD1 4.27Å; Y105-F147 AromaticContact CD2-CE1 3.65Å; Y105-F147 HydrophobicContact CD2-CE1 3.65Å; Y105-F147 AromaticContact CD2-CZ 3.88Å; Y105-F147 HydrophobicContact CD2-CZ 3.88Å; Y105-F147 HydrophobicContact CE2-CZ 4.48Å; Y105-F147 HydrophobicContact CG-CE1 4.37Å; V131-F147 WeakPolarHBondContact CA-O 3.38Å; D132-F147 HydrophobicContact CB-CB 4.41Å; D132-F147 PolarHBondContact N-O 2.98Å; D132-F147 PolarHBondContact O-N 3.23Å; K134-F147 HydrophobicContact CG-CD2 4.24Å; K134-F147 HydrophobicContact CG-CE2 4.06Å; F145-F147 AromaticContact CD2-CE2 3.96Å; F145-F147 HydrophobicContact CD2-CE2 3.96Å; F145-F147 HydrophobicContact CD2-CZ 4.37Å; F145-F147 AromaticContact CE2-CE2 3.74Å; F145-F147 HydrophobicContact CE2-CE2 3.74Å; F145-F147 HydrophobicContact CE2-CZ 4.21Å; F147-A177 HydrophobicContact CD1-CB 3.85Å; F147-A177 HydrophobicContact CE1-CB 4.01Å
148V96.4Very high92.7Very high0 Ų044.5 Ų44.50%024%0.243CC..EExtended strand (participates in β ladder)trans-124.3122.8172.3173.50000108.1K103 V104 I106 F122 V128 E130 V131 F150K103-V148 CarbonylContact C-O 3.51Å; K103-V148 WeakPolarHBondContact CA-O 2.94Å; V104-V148 PolarHBondContact N-O 3.33Å; V104-V148 PolarHBondContact O-N 3.07Å; I106-V148 HydrophobicContact CD1-CB 4.2Å; I106-V148 HydrophobicContact CD1-CG2 3.41Å; I106-V148 VanDerWaalsContact CD1-CG2 3.41Å; F122-V148 HydrophobicContact CB-CG1 4.23Å; F122-V148 HydrophobicContact CD2-CG2 3.9Å; F122-V148 HydrophobicContact CE2-CG2 4.34Å; F122-V148 HydrophobicContact CG-CG1 4.43Å; V128-V148 HydrophobicContact CG1-CG1 3.81Å; V128-V148 HydrophobicContact CG2-CG1 4.13Å; E130-V148 CarbonylContact O-C 3.53Å; E130-V148 WeakPolarHBondContact O-CA 3.5Å; V131-V148 HydrophobicContact CG1-CG2 4.23Å; V131-V148 HydrophobicContact CG2-CG2 4.22Å; V148-F150 HydrophobicContact CG1-CD2 4.19Å; V148-F150 HydrophobicContact CG1-CE2 3.74Å; V148-F150 HydrophobicContact CG1-CZ 4.04Å
149T96.6Very high93Very high26 Ų2640 Ų4016%0.1621%0.207CC..EExtended strand (participates in β ladder)trans-101125.5176.4-50.20000108.7K102 V129 E130K102-T149 CarbonylContact O-C 3.54Å; K102-T149 WeakPolarHBondContact O-CA 3.22Å; V129-T149 WeakPolarHBondContact CB-O 3.43Å; V129-T149 PolarHBondContact N-O 3.15Å; E130-T149 PolarHBondContact N-O 2.91Å; E130-T149 PolarHBondContact O-N 2.9Å; E130-T149 PolarHBondContact OE2-OG1 3.41Å
150F96.9Very high93Very high2 Ų236.8 Ų36.81%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-97.6165.2171.9-68.5-88.8000110.7K102 V104 F122 S127 V128 V148 D152 P155 V156 V159K102-F150 PolarHBondContact O-N 2.92Å; V104-F150 HydrophobicContact CG2-CD2 4.09Å; V104-F150 HydrophobicContact CG2-CE2 3.69Å; F122-F150 HydrophobicContact CB-CE1 4.41Å; F122-F150 HydrophobicContact CB-CZ 3.87Å; F122-F150 HydrophobicContact CD1-CZ 4.3Å; F122-F150 HydrophobicContact CG-CZ 4.39Å; S127-F150 WeakPolarHBondContact O-CA 3.48Å; S127-F150 WeakPolarHBondContact O-CD1 3.36Å; V128-F150 HydrophobicContact CG2-CD1 4.13Å; V128-F150 HydrophobicContact CG2-CE1 3.71Å; V128-F150 HydrophobicContact CG2-CZ 4.3Å; V148-F150 HydrophobicContact CG1-CD2 4.19Å; V148-F150 HydrophobicContact CG1-CE2 3.74Å; V148-F150 HydrophobicContact CG1-CZ 4.04Å; F150-D152 VanDerWaalsContact C-N 3.27Å; F150-D152 WeakPolarHBondContact CB-O 3.41Å; F150-P155 HydrophobicContact CB-CB 4.27Å; F150-P155 HydrophobicContact CB-CG 4.38Å; F150-P155 HydrophobicContact CD1-CB 3.43Å; F150-P155 VanDerWaalsContact CD1-CB 3.43Å; F150-P155 HydrophobicContact CD1-CG 4Å; F150-P155 HydrophobicContact CD2-CB 4.24Å; F150-P155 HydrophobicContact CE1-CB 3.65Å; F150-P155 HydrophobicContact CE2-CB 4.42Å; F150-P155 HydrophobicContact CG-CB 3.73Å; F150-P155 HydrophobicContact CG-CG 4.31Å; F150-P155 HydrophobicContact CZ-CB 4.13Å; F150-V156 HydrophobicContact CB-CG2 4.47Å; F150-V156 HydrophobicContact CD2-CG2 3.72Å; F150-V156 HydrophobicContact CE2-CG2 4.4Å; F150-V156 HydrophobicContact CG-CG2 4.43Å; F150-V159 HydrophobicContact CE2-CG2 4.5Å; F150-V159 HydrophobicContact CZ-CG2 4.23Å
151D94.9Very high93.2Very high80 Ų8035.1 Ų35.143%0.42816%0.164SC..SBendtrans-72.2-23.9172.461.9-16000112.8K102 S127 V129K102-D151 WeakPolarHBondContact CD-O 3.4Å; K102-D151 WeakPolarHBondContact CE-O 3.48Å; K102-D151 PolarHBondContact NZ-O 2.91Å; S127-D151 WeakPolarHBondContact CB-OD2 3.28Å; S127-D151 PolarHBondContact O-N 3.42Å; V129-D151 HydrophobicContact CG2-CB 3.91Å
152D94.2Very high93.1Very high34 Ų3432.5 Ų32.518%0.18215%0.154CC..SBendtrans-137.1166.6-175.9-176.641.2000113.1R72 F150 D154R72-D152 IonicContact CZ-OD1 2.95Å; R72-D152 IonicContact CZ-OD2 3.77Å; R72-D152 VanDerWaalsContact CZ-OD2 3.24Å; R72-D152 VanDerWaalsContact NH1-CG 3.35Å; R72-D152 IonicContact NH1-OD1 2.63Å; R72-D152 PolarHBondContact NH1-OD1 2.75Å; R72-D152 IonicContact NH1-OD2 2.92Å; R72-D152 PolarHBondContact NH1-OD2 2.86Å; R72-D152 IonicContact NH2-OD1 3.24Å; R72-D152 IonicContact NH2-OD2 3.82Å; R72-D152 PolarHBondContact NH2-OD2 3.5Å; F150-D152 VanDerWaalsContact C-N 3.27Å; F150-D152 WeakPolarHBondContact CB-O 3.41Å; D152-D154 VanDerWaalsContact OD2-CB 3.25Å; D152-D154 WeakPolarHBondContact OD2-CB 3.38Å; D152-D154 PolarHBondContact OD2-N 3.39Å; D152-D154 VanDerWaalsContact OD2-N 3.08Å
153Y93.7Very high92.8Very high37 Ų3733.9 Ų33.915%0.14516%0.158CC..SBendtrans-86.7-19.4177.561.4-98.9000114M69 R72 P83 K84 V101 V156 D157M69-Y153 HydrophobicContact CE-CE2 4.12Å; R72-Y153 WeakPolarHBondContact CD-OH 3.34Å; R72-Y153 PolarHBondContact NH1-OH 2.93Å; R72-Y153 VanDerWaalsContact NH1-OH 3.13Å; P83-Y153 WeakPolarHBondContact O-CE2 3.13Å; P83-Y153 PolarHBondContact O-OH 2.95Å; K84-Y153 HydrophobicContact CG-CD2 4.48Å; K84-Y153 HydrophobicContact CG-CE2 4.05Å; V101-Y153 WeakPolarHBondContact O-CB 3.27Å; Y153-V156 WeakPolarHBondContact O-CB 3.45Å; Y153-V156 PolarHBondContact O-N 2.94Å; Y153-D157 PolarHBondContact O-N 2.87Å; Y153-D157 VanDerWaalsContact O-N 3.13Å
154D93.9Very high92.8Very high8 Ų827.9 Ų27.94%0.04314%0.14CC..Hα-helixtrans-60.4-45177.5175.173.6000113.4M69 R85 D152 V156 D157 R158M69-D154 HydrophobicContact CE-CB 3.79Å; M69-D154 WeakPolarHBondContact CE-OD1 3.38Å; M69-D154 WeakPolarHBondContact CG-OD1 3.25Å; R85-D154 IonicContact CZ-OD1 3.77Å; R85-D154 IonicContact NE-OD1 3.87Å; R85-D154 PolarHBondContact NE-OD1 2.63Å; R85-D154 IonicContact NE-OD2 3.13Å; R85-D154 IonicContact NH2-OD1 3.29Å; R85-D154 PolarHBondContact NH2-OD1 2.92Å; R85-D154 VanDerWaalsContact NH2-OD1 3.13Å; R85-D154 IonicContact NH2-OD2 3.37Å; R85-D154 PolarHBondContact NH2-OD2 3Å; D152-D154 VanDerWaalsContact OD2-CB 3.25Å; D152-D154 WeakPolarHBondContact OD2-CB 3.38Å; D152-D154 PolarHBondContact OD2-N 3.39Å; D152-D154 VanDerWaalsContact OD2-N 3.08Å; D154-V156 PolarHBondContact O-N 3.08Å; D154-D157 PolarHBondContact O-N 2.83Å; D154-R158 PolarHBondContact O-N 3.25Å; D154-R158 VanDerWaalsContact O-N 3.11Å; D154-R158 IonicContact OD2-CZ 2.74Å; D154-R158 IonicContact OD2-NE 2.88Å; D154-R158 PolarHBondContact OD2-NE 3.4Å; D154-R158 IonicContact OD2-NH2 3.35Å; D154-R158 PolarHBondContact OD2-NH2 3.34Å
155P94.5Very high92.8Very high4 Ų426.7 Ų26.73%0.02613%0.127CC..Hα-helixtrans-58.5-36.8175.8-25.736.2000112.3F150 R158 V159F150-P155 HydrophobicContact CB-CB 4.27Å; F150-P155 HydrophobicContact CB-CG 4.38Å; F150-P155 HydrophobicContact CD1-CB 3.43Å; F150-P155 VanDerWaalsContact CD1-CB 3.43Å; F150-P155 HydrophobicContact CD1-CG 4Å; F150-P155 HydrophobicContact CD2-CB 4.24Å; F150-P155 HydrophobicContact CE1-CB 3.65Å; F150-P155 HydrophobicContact CE2-CB 4.42Å; F150-P155 HydrophobicContact CG-CB 3.73Å; F150-P155 HydrophobicContact CG-CG 4.31Å; F150-P155 HydrophobicContact CZ-CB 4.13Å; P155-R158 PolarHBondContact O-N 3.39Å; P155-V159 VanDerWaalsContact O-CG2 3.26Å; P155-V159 WeakPolarHBondContact O-CG2 3.22Å; P155-V159 PolarHBondContact O-N 3.34Å
156V94.1Very high92.7Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-64.1-44.9178.3176.40000111.4V101 V104 F150 Y153 D154 R158 V159 V160 K176V101-V156 HydrophobicContact CG2-CG1 3.93Å; V101-V156 WeakPolarHBondContact O-CB 3.5Å; V101-V156 VanDerWaalsContact O-CG2 3.3Å; V101-V156 WeakPolarHBondContact O-CG2 3.2Å; V104-V156 HydrophobicContact CG2-CB 4.09Å; V104-V156 HydrophobicContact CG2-CG1 3.81Å; V104-V156 HydrophobicContact CG2-CG2 3.78Å; F150-V156 HydrophobicContact CB-CG2 4.47Å; F150-V156 HydrophobicContact CD2-CG2 3.72Å; F150-V156 HydrophobicContact CE2-CG2 4.4Å; F150-V156 HydrophobicContact CG-CG2 4.43Å; Y153-V156 WeakPolarHBondContact O-CB 3.45Å; Y153-V156 PolarHBondContact O-N 2.94Å; D154-V156 PolarHBondContact O-N 3.08Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 2.81Å; V156-V159 PolarHBondContact O-N 3.45Å; V156-V160 HydrophobicContact CG1-CG2 4.36Å; V156-V160 WeakPolarHBondContact O-CB 3.38Å; V156-V160 VanDerWaalsContact O-CG2 3.24Å; V156-V160 WeakPolarHBondContact O-CG2 3.36Å; V156-V160 PolarHBondContact O-N 3.01Å; V156-K176 HydrophobicContact CG1-CG 3.97Å
157D92.2Very high92.5Very high1 Ų131 Ų311%0.00515%0.149CC..Hα-helixtrans-61.7-42.7177.3-73-21.6000111.2R85 M87 Y153 D154 V159 V160 L161 K176R85-D157 HydrophobicContact CB-CB 4.05Å; R85-D157 HydrophobicContact CG-CB 4.26Å; M87-D157 HydrophobicContact CE-CB 3.89Å; Y153-D157 PolarHBondContact O-N 2.87Å; Y153-D157 VanDerWaalsContact O-N 3.13Å; D154-D157 PolarHBondContact O-N 2.83Å; D157-V159 PolarHBondContact O-N 3.29Å; D157-V160 PolarHBondContact O-N 2.86Å; D157-L161 VanDerWaalsContact O-CG 3.3Å; D157-L161 WeakPolarHBondContact O-CG 3.5Å; D157-L161 PolarHBondContact O-N 2.86Å; D157-K176 WeakPolarHBondContact OD1-CE 3.24Å; D157-K176 IonicContact OD1-NZ 2.7Å; D157-K176 PolarHBondContact OD1-NZ 2.9Å
158R91Very high92.1Very high70 Ų7033.5 Ų33.526%0.26416%0.164SC..Hα-helixtrans-60.4-46.2176.3-74.8-168.1-95.2157.3-2.2113.2R85 Y125 D154 P155 V156 V160 L161R85-R158 VanDerWaalsContact CD-CG 3.46Å; R85-R158 VanDerWaalsContact CZ-CD 3.41Å; Y125-R158 HydrophobicContact CD1-CB 3.87Å; Y125-R158 HydrophobicContact CE1-CB 4.46Å; Y125-R158 PolarHBondContact O-NH1 3.21Å; Y125-R158 VanDerWaalsContact O-NH1 3.11Å; Y125-R158 PolarHBondContact O-NH2 3.39Å; D154-R158 PolarHBondContact O-N 3.25Å; D154-R158 VanDerWaalsContact O-N 3.11Å; D154-R158 IonicContact OD2-CZ 2.74Å; D154-R158 IonicContact OD2-NE 2.88Å; D154-R158 PolarHBondContact OD2-NE 3.4Å; D154-R158 IonicContact OD2-NH2 3.35Å; D154-R158 PolarHBondContact OD2-NH2 3.34Å; P155-R158 PolarHBondContact O-N 3.39Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 2.81Å; R158-V160 VanDerWaalsContact C-N 3.33Å; R158-V160 PolarHBondContact O-N 3.44Å; R158-L161 PolarHBondContact O-N 2.78Å
159V92.9Very high91.6Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-59.1-47.5177.81660000110V104 F122 Y125 F150 P155 V156 D157 L161 E162 H165 V174V104-V159 HydrophobicContact CG1-CG1 3.9Å; V104-V159 HydrophobicContact CG2-CG1 4.27Å; F122-V159 HydrophobicContact CD1-CG1 4.25Å; F122-V159 HydrophobicContact CD1-CG2 3.81Å; F122-V159 HydrophobicContact CE1-CG1 3.67Å; F122-V159 HydrophobicContact CE1-CG2 4.04Å; Y125-V159 HydrophobicContact CD1-CG2 4.07Å; Y125-V159 HydrophobicContact CD2-CG2 3.46Å; Y125-V159 VanDerWaalsContact CD2-CG2 3.46Å; Y125-V159 HydrophobicContact CE1-CG2 4.49Å; Y125-V159 HydrophobicContact CE2-CG2 3.9Å; Y125-V159 HydrophobicContact CG-CG2 3.55Å; F150-V159 HydrophobicContact CE2-CG2 4.5Å; F150-V159 HydrophobicContact CZ-CG2 4.23Å; P155-V159 VanDerWaalsContact O-CG2 3.26Å; P155-V159 WeakPolarHBondContact O-CG2 3.22Å; P155-V159 PolarHBondContact O-N 3.34Å; V156-V159 PolarHBondContact O-N 3.45Å; D157-V159 PolarHBondContact O-N 3.29Å; V159-L161 VanDerWaalsContact C-N 3.29Å; V159-L161 PolarHBondContact O-N 3.24Å; V159-E162 PolarHBondContact O-N 2.81Å; V159-H165 PolarHBondContact O-NE2 2.89Å; V159-V174 HydrophobicContact CG1-CB 3.88Å; V159-V174 HydrophobicContact CG1-CG1 3.91Å; V159-V174 HydrophobicContact CG1-CG2 3.79Å; V159-V174 WeakPolarHBondContact O-CG2 3.28Å
160V91.1Very high91.3Very high14 Ų1438.5 Ų38.59%0.08520%0.197CC..Hα-helixtrans-69-26-176.4173.70000113V156 D157 R158 E162 R163 K176V156-V160 HydrophobicContact CG1-CG2 4.36Å; V156-V160 WeakPolarHBondContact O-CB 3.38Å; V156-V160 VanDerWaalsContact O-CG2 3.24Å; V156-V160 WeakPolarHBondContact O-CG2 3.36Å; V156-V160 PolarHBondContact O-N 3.01Å; D157-V160 PolarHBondContact O-N 2.86Å; R158-V160 VanDerWaalsContact C-N 3.33Å; R158-V160 PolarHBondContact O-N 3.44Å; V160-E162 VanDerWaalsContact C-N 3.27Å; V160-E162 PolarHBondContact O-N 2.83Å; V160-R163 PolarHBondContact O-N 2.61Å; V160-K176 HydrophobicContact CG2-CG 3.91Å
161L87.7Confident91.1Very high23 Ų2346.1 Ų46.112%0.1223%0.226CC..Hα-helixtrans-62-33174.2-74.8172.8000112.9Q9 R85 M87 P88 D157 R158 V159Q9-L161 HydrophobicContact CG-CD2 4.1Å; R85-L161 HydrophobicContact CB-CD1 4.18Å; M87-L161 HydrophobicContact CE-CD1 4.46Å; M87-L161 HydrophobicContact CE-CD2 3.75Å; M87-L161 HydrophobicContact CE-CG 3.91Å; M87-L161 HydrophobicContact SD-CD2 4.18Å; P88-L161 HydrophobicContact CG-CD2 4.2Å; D157-L161 VanDerWaalsContact O-CG 3.3Å; D157-L161 WeakPolarHBondContact O-CG 3.5Å; D157-L161 PolarHBondContact O-N 2.86Å; R158-L161 PolarHBondContact O-N 2.78Å; V159-L161 VanDerWaalsContact C-N 3.29Å; V159-L161 PolarHBondContact O-N 3.24Å
162E86.1Confident91.1Very high82 Ų8242.3 Ų42.338%0.38321%0.205SC..Hα-helixtrans-80.5-19.5178.6-162.5169.1-150.500112.9Y125 V159 V160 S164 H165Y125-E162 PolarHBondContact OH-OE2 3.28Å; V159-E162 PolarHBondContact O-N 2.81Å; V160-E162 VanDerWaalsContact C-N 3.27Å; V160-E162 PolarHBondContact O-N 2.83Å; E162-S164 PolarHBondContact O-N 3.15Å; E162-H165 IonicContact OE2-CE1 2.61Å; E162-H165 PolarHBondContact OE2-CE1 3.15Å; E162-H165 IonicContact OE2-CG 3.42Å; E162-H165 IonicContact OE2-ND1 3.74Å; E162-H165 PolarHBondContact OE2-ND1 2.93Å
163R84.4Confident91.1Very high85 Ų8543.5 Ų43.532%0.32121%0.212SC..  trans60.6-43.6179.7-56.3-175.4-173-176.38.5116.5D90 V160 D173 V174D90-R163 IonicContact OD1-NH2 3.96Å; D90-R163 PolarHBondContact OD1-NH2 2.7Å; D90-R163 IonicContact OD2-CZ 2.61Å; D90-R163 IonicContact OD2-NH1 3.95Å; D90-R163 PolarHBondContact OD2-NH1 3.19Å; D90-R163 IonicContact OD2-NH2 2.69Å; D90-R163 PolarHBondContact OD2-NH2 3.39Å; V160-R163 PolarHBondContact O-N 2.61Å; R163-D173 WeakPolarHBondContact O-CA 3.27Å; R163-V174 WeakPolarHBondContact O-CG2 3.43Å; R163-V174 PolarHBondContact O-N 2.89Å
164S90.1Very high91.1Very high33 Ų3342.1 Ų42.123%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-130.6129.1-177.9-590000108.6E162 R171 C172 D173E162-S164 PolarHBondContact O-N 3.15Å; S164-R171 PolarHBondContact OG-NE 3.05Å; S164-R171 PolarHBondContact OG-NH2 2.69Å; S164-C172 CarbonylContact C-O 3.53Å; S164-C172 WeakPolarHBondContact CA-O 3.24Å; S164-D173 WeakPolarHBondContact CB-OD1 3.44Å; S164-D173 PolarHBondContact OG-OD1 2.89Å
165H92.8Very high91Very high1 Ų145.8 Ų45.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-119.6142.7178.2-63.7-79.7000110.1Y121 Y125 V159 E162 I167 C172 V174Y121-H165 HydrophobicContact CE1-CB 3.66Å; Y121-H165 AromaticContact CE1-CG 3.77Å; Y121-H165 AromaticContact CE1-ND1 3.78Å; Y121-H165 AromaticContact CZ-ND1 3.92Å; Y121-H165 WeakPolarHBondContact OH-CB 3.12Å; Y121-H165 PolarHBondContact OH-ND1 3.02Å; Y121-H165 VanDerWaalsContact OH-ND1 3.15Å; Y125-H165 AromaticContact CZ-CE1 3.75Å; Y125-H165 PolarHBondContact OH-CE1 2.88Å; Y125-H165 VanDerWaalsContact OH-CE1 3.25Å; Y125-H165 PolarHBondContact OH-ND1 2.93Å; V159-H165 PolarHBondContact O-NE2 2.89Å; E162-H165 IonicContact OE2-CE1 2.61Å; E162-H165 PolarHBondContact OE2-CE1 3.15Å; E162-H165 IonicContact OE2-CG 3.42Å; E162-H165 IonicContact OE2-ND1 3.74Å; E162-H165 PolarHBondContact OE2-ND1 2.93Å; H165-I167 HydrophobicContact CB-CG1 4.22Å; H165-C172 PolarHBondContact N-O 3.07Å; H165-C172 PolarHBondContact O-N 3.49Å; H165-V174 VanDerWaalsContact CD2-CG2 3.48Å; H165-V174 WeakPolarHBondContact CD2-CG2 3.23Å; H165-V174 WeakPolarHBondContact NE2-CG2 3.32Å
166M91.9Very high90.9Very high116 Ų11645.9 Ų45.957%0.57122%0.223SC*.EExtended strand (participates in β ladder)trans-93.7100.7172.7-67.7-63.4-7100108.5S169 K170 R171M166-S169 WeakPolarHBondContact CE-O 3.44Å; M166-K170 WeakPolarHBondContact CA-O 3.41Å; M166-R171 HydrophobicContact SD-CB 3.93Å
167I91Very high90.8Very high4 Ų446.4 Ų46.42%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-107.1112.9177.5-50.8-179.3000106.5H113 L118 Y121 F122 H165 K170 C172H113-I167 PolarHBondContact NE2-O 2.72Å; L118-I167 HydrophobicContact CD2-CD1 3.71Å; L118-I167 HydrophobicContact CD2-CG2 4.28Å; Y121-I167 HydrophobicContact CD1-CD1 3.74Å; Y121-I167 HydrophobicContact CD1-CG1 3.76Å; Y121-I167 HydrophobicContact CD2-CG1 4.15Å; Y121-I167 HydrophobicContact CE1-CD1 4.13Å; Y121-I167 HydrophobicContact CE1-CG1 3.91Å; Y121-I167 HydrophobicContact CE2-CG1 4.27Å; Y121-I167 HydrophobicContact CG-CD1 4.17Å; Y121-I167 HydrophobicContact CG-CG1 3.9Å; Y121-I167 HydrophobicContact CG-CG2 4.41Å; F122-I167 HydrophobicContact CE2-CD1 3.64Å; F122-I167 HydrophobicContact CZ-CD1 3.83Å; H165-I167 HydrophobicContact CB-CG1 4.22Å; I167-K170 PolarHBondContact N-O 2.82Å; I167-K170 PolarHBondContact O-N 2.66Å; I167-K170 VanDerWaalsContact O-N 3.15Å; I167-C172 HydrophobicContact CD1-CB 4.18Å; I167-C172 HydrophobicContact CG1-CB 4.47Å
168D86.9Confident90.6Very high83 Ų8347.3 Ų47.344%0.44423%0.232SC..THydrogen-bonded Turntrans53.255.9-177.7-168.233.6000113.4M117 K170M117-D168 HydrophobicContact CE-CB 3.32Å; M117-D168 VanDerWaalsContact CE-CG 3.46Å; M117-D168 VanDerWaalsContact CE-OD2 3.25Å; M117-D168 WeakPolarHBondContact CE-OD2 3.32Å; D168-K170 PolarHBondContact O-N 3.09Å
169S86.7Confident90.3Very high109 Ų10947.1 Ų47.176%0.76224%0.241SC*.THydrogen-bonded Turntrans59.19.8-178.3-53.90000115.6M166M166-S169 WeakPolarHBondContact CE-O 3.44Å
170K89.9Confident89.9Confident23 Ų2355.3 Ų55.310%0.128%0.277CS..EExtended strand (participates in β ladder)trans-115.8135.6178.8-70.6166.8176.9-1780110.4K110 E112 H113 M166 I167 D168 C172K110-K170 HydrophobicContact CB-CD 4Å; K110-K170 HydrophobicContact CD-CD 3.63Å; K110-K170 HydrophobicContact CD-CG 4.28Å; K110-K170 HydrophobicContact CG-CD 3.88Å; E112-K170 IonicContact OE1-NZ 3.12Å; E112-K170 PolarHBondContact OE1-NZ 3.13Å; E112-K170 VanDerWaalsContact OE2-CE 3.24Å; E112-K170 WeakPolarHBondContact OE2-CE 3.37Å; E112-K170 IonicContact OE2-NZ 2.84Å; E112-K170 PolarHBondContact OE2-NZ 3.21Å; H113-K170 VanDerWaalsContact CE1-CD 3.44Å; H113-K170 WeakPolarHBondContact CE1-CD 3.31Å; M166-K170 WeakPolarHBondContact CA-O 3.41Å; I167-K170 PolarHBondContact N-O 2.82Å; I167-K170 PolarHBondContact O-N 2.66Å; I167-K170 VanDerWaalsContact O-N 3.15Å; D168-K170 PolarHBondContact O-N 3.09Å; K170-C172 PolarHBondContact O-N 2.89Å
171R93.4Very high89.6Confident161 Ų16161.1 Ų61.161%0.60830%0.303SS*.EExtended strand (participates in β ladder)trans-74.6121.2176.4-176-179.8176.8167.56.3109.9S164 M166 D173S164-R171 PolarHBondContact OG-NE 3.05Å; S164-R171 PolarHBondContact OG-NH2 2.69Å; M166-R171 HydrophobicContact SD-CB 3.93Å; R171-D173 IonicContact NE-OD1 2.68Å; R171-D173 PolarHBondContact NE-OD1 2.61Å; R171-D173 IonicContact NH2-OD1 2.98Å
172C94.3Very high89.3Confident0 Ų063.2 Ų63.20%031%0.312CS..EExtended strand (participates in β ladder)trans-116.2130.4170.6-59.40000109.1I106 S107 S164 H165 I167 K170I106-C172 HydrophobicContact CG2-CB 3.76Å; S107-C172 CarbonylContact O-C 3.58Å; S107-C172 VanDerWaalsContact O-CA 3.27Å; S107-C172 WeakPolarHBondContact O-CA 3.02Å; S164-C172 CarbonylContact C-O 3.53Å; S164-C172 WeakPolarHBondContact CA-O 3.24Å; H165-C172 PolarHBondContact N-O 3.07Å; H165-C172 PolarHBondContact O-N 3.49Å; I167-C172 HydrophobicContact CD1-CB 4.18Å; I167-C172 HydrophobicContact CG1-CB 4.47Å; K170-C172 PolarHBondContact O-N 2.89Å
173D94.1Very high89Confident60 Ų6062.7 Ų62.732%0.32131%0.311SS..EExtended strand (participates in β ladder)trans-97.5137.6177.1-66.4-51.8000109.9I106 S107 R163 S164 R171I106-D173 WeakPolarHBondContact CA-O 3.46Å; S107-D173 PolarHBondContact N-O 2.66Å; S107-D173 PolarHBondContact O-N 2.77Å; S107-D173 PolarHBondContact OG-O 2.69Å; R163-D173 WeakPolarHBondContact O-CA 3.27Å; S164-D173 WeakPolarHBondContact CB-OD1 3.44Å; S164-D173 PolarHBondContact OG-OD1 2.89Å; R171-D173 IonicContact NE-OD1 2.68Å; R171-D173 PolarHBondContact NE-OD1 2.61Å; R171-D173 IonicContact NH2-OD1 2.98Å
174V93.4Very high89.1Confident8 Ų865.8 Ų65.85%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-116143.8-175.1-68.60000112.4V104 Y105 I106 F122 V159 R163 H165V104-V174 HydrophobicContact CG1-CB 3.99Å; V104-V174 HydrophobicContact CG1-CG1 4.07Å; Y105-V174 WeakPolarHBondContact O-CA 3.42Å; I106-V174 HydrophobicContact CG1-CG1 4.07Å; I106-V174 HydrophobicContact CG2-CG1 4.29Å; F122-V174 HydrophobicContact CE1-CG1 4.34Å; F122-V174 HydrophobicContact CZ-CG1 4.1Å; V159-V174 HydrophobicContact CG1-CB 3.88Å; V159-V174 HydrophobicContact CG1-CG1 3.91Å; V159-V174 HydrophobicContact CG1-CG2 3.79Å; V159-V174 WeakPolarHBondContact O-CG2 3.28Å; R163-V174 WeakPolarHBondContact O-CG2 3.43Å; R163-V174 PolarHBondContact O-N 2.89Å; H165-V174 VanDerWaalsContact CD2-CG2 3.48Å; H165-V174 WeakPolarHBondContact CD2-CG2 3.23Å; H165-V174 WeakPolarHBondContact NE2-CG2 3.32Å
175K91.9Very high88.9Confident85 Ų8571.9 Ų71.937%0.3734%0.344SS..EExtended strand (participates in β ladder)trans-142.9160.4174.6-61.8-177.4-177.1179.30110Y105 A177Y105-K175 HydrophobicContact CD1-CB 4.4Å; Y105-K175 PolarHBondContact N-O 3.33Å; Y105-K175 PolarHBondContact O-N 3.21Å; K175-A177 PolarHBondContact O-N 3.45Å
176K93.2Very high88.2Confident6 Ų673 Ų733%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-62.4128.3168.1-73.6-175.9167.3-171.30109E96 A97 V99 V101 V156 D157 V160 L178E96-K176 HydrophobicContact CB-CB 4.27Å; E96-K176 WeakPolarHBondContact O-CD 3.25Å; A97-K176 PolarHBondContact O-NZ 3.23Å; V99-K176 WeakPolarHBondContact O-CD 3.46Å; V99-K176 PolarHBondContact O-NZ 2.98Å; V101-K176 HydrophobicContact CG2-CB 3.6Å; V101-K176 HydrophobicContact CG2-CD 4.17Å; V101-K176 HydrophobicContact CG2-CG 3.82Å; V156-K176 HydrophobicContact CG1-CG 3.97Å; D157-K176 WeakPolarHBondContact OD1-CE 3.24Å; D157-K176 IonicContact OD1-NZ 2.7Å; D157-K176 PolarHBondContact OD1-NZ 2.9Å; V160-K176 HydrophobicContact CG2-CG 3.91Å; K176-L178 PolarHBondContact O-N 3.43Å
177A92.6Very high87.8Confident10 Ų1073.2 Ų73.28%0.08335%0.35CS..  trans-78.4110.4178.500000109.6K103 F147 K175K103-A177 HydrophobicContact CB-CB 3.84Å; K103-A177 HydrophobicContact CD-CB 4.39Å; K103-A177 HydrophobicContact CG-CB 3.71Å; K103-A177 WeakPolarHBondContact O-CB 3.23Å; K103-A177 PolarHBondContact O-N 3.13Å; F147-A177 HydrophobicContact CD1-CB 3.85Å; F147-A177 HydrophobicContact CE1-CB 4.01Å; K175-A177 PolarHBondContact O-N 3.45Å
178L87Confident87.4Confident20 Ų2078 Ų7811%0.10537%0.372CS..  trans-75.7150.7172-64.2-178.7000110.9E96 V99 K176 E182 M183 I186E96-L178 HydrophobicContact CB-CD1 4Å; E96-L178 HydrophobicContact CB-CD2 3.76Å; E96-L178 HydrophobicContact CB-CG 3.96Å; V99-L178 HydrophobicContact CG2-CD2 4.49Å; K176-L178 PolarHBondContact O-N 3.43Å; L178-E182 HydrophobicContact CB-CB 4.21Å; L178-E182 HydrophobicContact CB-CG 4.24Å; L178-E182 HydrophobicContact CD1-CG 4.19Å; L178-E182 HydrophobicContact CD2-CG 3.94Å; L178-E182 HydrophobicContact CG-CG 4.37Å; L178-M183 HydrophobicContact CB-CG 3.75Å; L178-M183 VanDerWaalsContact O-CE 3.31Å; L178-M183 WeakPolarHBondContact O-CE 3.35Å; L178-I186 HydrophobicContact CD1-CD1 3.31Å
179S84.4Confident87.1Confident67 Ų6780.1 Ų80.147%0.46938%0.38SS..  trans-63.7158.1172.676.20000110.1E181 E182 M183S179-E181 PolarHBondContact O-N 2.92Å; S179-E182 PolarHBondContact O-N 3.45Å; S179-E182 VanDerWaalsContact O-N 3.13Å; S179-E182 WeakPolarHBondContact OG-CB 3.33Å; S179-E182 PolarHBondContact OG-N 2.94Å; S179-M183 PolarHBondContact O-N 3.48Å
180K84.2Confident86.9Confident172 Ų17277.5 Ų77.575%0.74836%0.357SS*.Hα-helixtrans-55.5-36.3174.8-70.4-178-178.8175.60111.9K184K180-K184 WeakPolarHBondContact O-CB 3.39Å; K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 3.26Å; K180-K184 PolarHBondContact O-N 3.23Å; K180-K184 VanDerWaalsContact O-N 3.07Å
181E84.5Confident86.5Confident136 Ų13679.4 Ų79.464%0.63637%0.37SS*.Hα-helixtrans-68.9-43.8177.9-62.9-177.8174.300111.6S179 K184 R185S179-E181 PolarHBondContact O-N 2.92Å; E181-K184 PolarHBondContact O-N 3.41Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 3.36Å
182E81.8Confident86Confident67 Ų6775 Ų7531%0.31336%0.359SS..Hα-helixtrans-67.3-41.5179.2-171.857.8-160.300111.4L178 S179 K184 R185 I186L178-E182 HydrophobicContact CB-CB 4.21Å; L178-E182 HydrophobicContact CB-CG 4.24Å; L178-E182 HydrophobicContact CD1-CG 4.19Å; L178-E182 HydrophobicContact CD2-CG 3.94Å; L178-E182 HydrophobicContact CG-CG 4.37Å; S179-E182 PolarHBondContact O-N 3.45Å; S179-E182 VanDerWaalsContact O-N 3.13Å; S179-E182 WeakPolarHBondContact OG-CB 3.33Å; S179-E182 PolarHBondContact OG-N 2.94Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 2.9Å; E182-R185 PolarHBondContact O-N 2.78Å; E182-I186 HydrophobicContact CG-CD1 4Å; E182-I186 WeakPolarHBondContact O-CG1 3.34Å; E182-I186 PolarHBondContact O-N 3.07Å
183M80.9Confident85.4Confident71 Ų7180.6 Ų80.635%0.3538%0.38SS..Hα-helixtrans-58.7-43.5171.8-74.6-169-89.100112.1L178 S179 I186 Q187L178-M183 HydrophobicContact CB-CG 3.75Å; L178-M183 VanDerWaalsContact O-CE 3.31Å; L178-M183 WeakPolarHBondContact O-CE 3.35Å; S179-M183 PolarHBondContact O-N 3.48Å; M183-I186 PolarHBondContact O-N 3.26Å; M183-Q187 WeakPolarHBondContact O-CB 3.33Å; M183-Q187 VanDerWaalsContact O-CG 3.23Å; M183-Q187 WeakPolarHBondContact O-CG 3.25Å; M183-Q187 PolarHBondContact O-N 3.25Å
184K85.8Confident84.7Confident149 Ų14983.3 Ų83.365%0.64839%0.39SS*.Hα-helixtrans-64.6-41176.7-77.5176.6179.7-172.90111.9K180 E181 E182 Q187 Q188K180-K184 WeakPolarHBondContact O-CB 3.39Å; K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 3.26Å; K180-K184 PolarHBondContact O-N 3.23Å; K180-K184 VanDerWaalsContact O-N 3.07Å; E181-K184 PolarHBondContact O-N 3.41Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 2.9Å; K184-Q187 PolarHBondContact O-N 3.4Å; K184-Q188 WeakPolarHBondContact O-CB 3.39Å; K184-Q188 PolarHBondContact O-N 2.88Å
185R85.2Confident84.1Confident161 Ų16187.3 Ų87.361%0.60841%0.409SS*.Hα-helixtrans-61.3-47.5176.9-74.8173.3-176.1-114.62.4111.2E181 E182 Q188 Q189E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 3.36Å; E182-R185 PolarHBondContact O-N 2.78Å; R185-Q188 PolarHBondContact O-N 3.43Å; R185-Q189 WeakPolarHBondContact O-CG 3.44Å; R185-Q189 PolarHBondContact O-N 2.9Å
186I79.6Confident83.5Confident26 Ų2692.5 Ų92.513%0.13343%0.426CS..Hα-helixtrans-65.5-43.4178.5-67.8159.1000111P95 L178 E182 M183 Q188 Q189 D190P95-I186 HydrophobicContact CB-CD1 3.89Å; P95-I186 HydrophobicContact CB-CG1 4.27Å; P95-I186 HydrophobicContact CG-CD1 3.55Å; P95-I186 HydrophobicContact CG-CG1 4Å; P95-I186 HydrophobicContact CG-CG2 4.2Å; L178-I186 HydrophobicContact CD1-CD1 3.31Å; E182-I186 HydrophobicContact CG-CD1 4Å; E182-I186 WeakPolarHBondContact O-CG1 3.34Å; E182-I186 PolarHBondContact O-N 3.07Å; M183-I186 PolarHBondContact O-N 3.26Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 3.39Å; I186-Q189 PolarHBondContact O-N 3Å; I186-D190 PolarHBondContact O-N 2.91Å
187Q82Confident82.6Confident120 Ų12096.5 Ų96.556%0.56145%0.445SS*.Hα-helixtrans-60.9-41.9175.7-76173.316.200112.1M183 K184 D190 V191M183-Q187 WeakPolarHBondContact O-CB 3.33Å; M183-Q187 VanDerWaalsContact O-CG 3.23Å; M183-Q187 WeakPolarHBondContact O-CG 3.25Å; M183-Q187 PolarHBondContact O-N 3.25Å; K184-Q187 PolarHBondContact O-N 3.4Å; Q187-D190 PolarHBondContact O-N 3.32Å; Q187-V191 VanDerWaalsContact O-CG2 3.28Å; Q187-V191 WeakPolarHBondContact O-CG2 3.49Å; Q187-V191 PolarHBondContact O-N 2.96Å
188Q83.5Confident81.6Confident105 Ų10599.2 Ų99.249%0.49147%0.467SS..Hα-helixtrans-63.8-43.1176.2-171.963.650.700111.4K184 R185 I186 D190 V191 D192K184-Q188 WeakPolarHBondContact O-CB 3.39Å; K184-Q188 PolarHBondContact O-N 2.88Å; R185-Q188 PolarHBondContact O-N 3.43Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 3.39Å; Q188-D190 VanDerWaalsContact C-N 3.33Å; Q188-D190 PolarHBondContact O-N 2.94Å; Q188-V191 PolarHBondContact O-N 3.29Å; Q188-D192 PolarHBondContact NE2-OD1 3.48Å; Q188-D192 WeakPolarHBondContact O-CB 3.28Å; Q188-D192 PolarHBondContact O-N 3.45Å
189Q81.1Confident80.6Confident127 Ų127106.9 Ų106.959%0.59350%0.495SS*.Hα-helixtrans-62.9-38.5176.2-73.3175.77.300112.4R185 I186 R193R185-Q189 WeakPolarHBondContact O-CG 3.44Å; R185-Q189 PolarHBondContact O-N 2.9Å; I186-Q189 PolarHBondContact O-N 3Å; Q189-R193 VanDerWaalsContact O-CB 3.28Å; Q189-R193 WeakPolarHBondContact O-CB 3.37Å; Q189-R193 PolarHBondContact O-N 2.88Å
190D81.5Confident79.4Confident53 Ų53108.6 Ų108.628%0.28351%0.506SS..Hα-helixtrans-66-41.8175.1-77.3-26.3000111.8I186 Q187 Q188 R193 Q194I186-D190 PolarHBondContact O-N 2.91Å; Q187-D190 PolarHBondContact O-N 3.32Å; Q188-D190 VanDerWaalsContact C-N 3.33Å; Q188-D190 PolarHBondContact O-N 2.94Å; D190-R193 PolarHBondContact O-N 3.45Å; D190-R193 IonicContact OD1-CZ 3.13Å; D190-R193 IonicContact OD1-NH1 2.76Å; D190-R193 PolarHBondContact OD1-NH1 2.96Å; D190-R193 IonicContact OD1-NH2 2.64Å; D190-R193 PolarHBondContact OD1-NH2 2.85Å; D190-Q194 WeakPolarHBondContact O-CB 3.35Å; D190-Q194 VanDerWaalsContact O-CG 3.25Å; D190-Q194 WeakPolarHBondContact O-CG 3.4Å; D190-Q194 PolarHBondContact O-N 3.16Å
191V81.4Confident78Confident63 Ų63110.8 Ų110.838%0.38251%0.51SS..Hα-helixtrans-63.3-46.8174.9170.40000110.7Q187 Q188 R193 Q194 Q195Q187-V191 VanDerWaalsContact O-CG2 3.28Å; Q187-V191 WeakPolarHBondContact O-CG2 3.49Å; Q187-V191 PolarHBondContact O-N 2.96Å; Q188-V191 PolarHBondContact O-N 3.29Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 2.95Å; V191-Q194 PolarHBondContact O-N 2.89Å; V191-Q195 WeakPolarHBondContact O-CB 3.36Å; V191-Q195 WeakPolarHBondContact O-CG 3.36Å; V191-Q195 PolarHBondContact O-N 3.4Å
192D82.8Confident76.3Confident68 Ų68107.1 Ų107.136%0.36451%0.509SS..Hα-helixtrans-64.2-38.7179-69.3-10.5000111.5Q188 Q195 R196Q188-D192 PolarHBondContact NE2-OD1 3.48Å; Q188-D192 WeakPolarHBondContact O-CB 3.28Å; Q188-D192 PolarHBondContact O-N 3.45Å; D192-Q195 PolarHBondContact O-N 2.88Å; D192-R196 WeakPolarHBondContact O-CG 3.42Å; D192-R196 PolarHBondContact O-N 3.37Å
193R81.6Confident74.6Confident119 Ų119112.1 Ų112.145%0.44953%0.534SS..Hα-helixtrans-62.3-49.8173.7-176177.969.3-109.9-3.1110.8Q189 D190 V191 Q195 R196 E197Q189-R193 VanDerWaalsContact O-CB 3.28Å; Q189-R193 WeakPolarHBondContact O-CB 3.37Å; Q189-R193 PolarHBondContact O-N 2.88Å; D190-R193 PolarHBondContact O-N 3.45Å; D190-R193 IonicContact OD1-CZ 3.13Å; D190-R193 IonicContact OD1-NH1 2.76Å; D190-R193 PolarHBondContact OD1-NH1 2.96Å; D190-R193 IonicContact OD1-NH2 2.64Å; D190-R193 PolarHBondContact OD1-NH2 2.85Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 2.95Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 3.28Å; R193-R196 PolarHBondContact O-N 3.22Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R193-E197 HydrophobicContact CG-CG 4.45Å; R193-E197 WeakPolarHBondContact CG-OE1 3.48Å; R193-E197 IonicContact NE-OE1 2.66Å; R193-E197 WeakPolarHBondContact O-CG 3.27Å; R193-E197 PolarHBondContact O-N 2.83Å
194Q80Confident72.8Confident116 Ų116117.8 Ų117.854%0.54256%0.562SS.*Hα-helixtrans-61.4-39.7178.6-73.8173.846.700112D190 V191 E197 A198D190-Q194 WeakPolarHBondContact O-CB 3.35Å; D190-Q194 VanDerWaalsContact O-CG 3.25Å; D190-Q194 WeakPolarHBondContact O-CG 3.4Å; D190-Q194 PolarHBondContact O-N 3.16Å; V191-Q194 PolarHBondContact O-N 2.89Å; Q194-E197 PolarHBondContact O-N 2.87Å; Q194-A198 WeakPolarHBondContact O-CB 3.46Å; Q194-A198 PolarHBondContact O-N 2.78Å
195Q81.2Confident70.8Confident92 Ų92119.7 Ų119.743%0.4357%0.565SS.*Hα-helixtrans-65.2-39.6174.8-74.1-176.831.600112.4V191 D192 R193 R199V191-Q195 WeakPolarHBondContact O-CB 3.36Å; V191-Q195 WeakPolarHBondContact O-CG 3.36Å; V191-Q195 PolarHBondContact O-N 3.4Å; D192-Q195 PolarHBondContact O-N 2.88Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 3.28Å; Q195-R199 WeakPolarHBondContact O-CB 3.17Å; Q195-R199 VanDerWaalsContact O-CG 3.27Å; Q195-R199 WeakPolarHBondContact O-CG 3.36Å; Q195-R199 PolarHBondContact O-N 3.47Å
196R78.9Confident68.6Low195 Ų195116.3 Ų116.374%0.73658%0.581SS**Hα-helixtrans-65.9-42.9174.5-75.4179.9-174.8-155.22.5111.8D192 R193 R199 S200D192-R196 WeakPolarHBondContact O-CG 3.42Å; D192-R196 PolarHBondContact O-N 3.37Å; R193-R196 PolarHBondContact O-N 3.22Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R196-R199 PolarHBondContact O-N 3.43Å; R196-S200 WeakPolarHBondContact O-CB 3.4Å; R196-S200 PolarHBondContact O-N 3.26Å
197E75.4Confident66.5Low90 Ų90116.9 Ų116.942%0.42159%0.593SS.*Hα-helixtrans-63.6-40.5177-73.1174.9-174.700111.8R193 Q194 S200 R201R193-E197 HydrophobicContact CG-CG 4.45Å; R193-E197 WeakPolarHBondContact CG-OE1 3.48Å; R193-E197 IonicContact NE-OE1 2.66Å; R193-E197 WeakPolarHBondContact O-CG 3.27Å; R193-E197 PolarHBondContact O-N 2.83Å; Q194-E197 PolarHBondContact O-N 2.87Å; E197-S200 PolarHBondContact O-N 2.99Å; E197-R201 PolarHBondContact O-N 3.27Å
198A70Confident64.4Low66 Ų66120 Ų12055%0.54560%0.601SS.*Hα-helixtrans-64.5-42.5174.600000112.1Q194 S200 R201 G202Q194-A198 WeakPolarHBondContact O-CB 3.46Å; Q194-A198 PolarHBondContact O-N 2.78Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.32Å; A198-R201 PolarHBondContact O-N 3.41Å; A198-G202 PolarHBondContact O-N 3Å
199R65.8Low62.4Low182 Ų182118.5 Ų118.569%0.68761%0.614SS**Hα-helixtrans-65.3-31.2174.5-72.1174.6-174.4-179.85.1112.3Q195 R196Q195-R199 WeakPolarHBondContact O-CB 3.17Å; Q195-R199 VanDerWaalsContact O-CG 3.27Å; Q195-R199 WeakPolarHBondContact O-CG 3.36Å; Q195-R199 PolarHBondContact O-N 3.47Å; R196-R199 PolarHBondContact O-N 3.43Å
200S59.4Low60.4Low102 Ų102118.5 Ų118.571%0.71363%0.627SS**Hα-helixtrans-81.8-25.5-178.8-154.80000113.4R196 E197 A198R196-S200 WeakPolarHBondContact O-CB 3.4Å; R196-S200 PolarHBondContact O-N 3.26Å; E197-S200 PolarHBondContact O-N 2.99Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.32Å
201R55.4Low58.6Low218 Ų218121.6 Ų121.682%0.82365%0.651SS**Hα-helixtrans-85.8-7.3171.7-69.6-172.6-167.3172.76.9114.4E197 A198E197-R201 PolarHBondContact O-N 3.27Å; A198-R201 PolarHBondContact O-N 3.41Å
202G48.8Very low56.6Low60 Ų60122.6 Ų122.662%0.61967%0.674SS**SBendtrans-101.15.4-174.900000116.7A198A198-G202 PolarHBondContact O-N 3Å
203M45.6Very low54.9Low172 Ų172122.7 Ų122.785%0.84769%0.69SS**  trans-132.553.3179.3-72-139.9177.800112.9R205M203-R205 VanDerWaalsContact C-N 3.26Å; M203-R205 PolarHBondContact O-N 2.81Å
204M42.9Very low53.2Low189 Ų189123.2 Ų123.293%0.93171%0.709SS**  trans-85.180.6152.3-75.2-153.2176.700109.3G206M204-G206 PolarHBondContact O-N 2.97Å
205R44Very low51.3Low189 Ų189124.2 Ų124.271%0.71372%0.718SS**  42.778.9124.9-160.3176.6-171.2-126.36.5114.9M203 G207 Y208M203-R205 VanDerWaalsContact C-N 3.26Å; M203-R205 PolarHBondContact O-N 2.81Å; R205-G207 PolarHBondContact O-N 3.39Å; R205-Y208 PolarHBondContact NH1-OH 3.38Å; R205-Y208 PolarHBondContact NH2-OH 3.12Å
206G39Very low49.7Very low91 Ų91128.3 Ų128.394%0.93874%0.74SS**  trans-57.3101.1156.200000109.4M204M204-G206 PolarHBondContact O-N 2.97Å
207G36.5Very low48Very low37 Ų37122.2 Ų122.238%0.38174%0.737SS.*  trans-160137.417600000107.3R205R205-G207 PolarHBondContact O-N 3.39Å
208Y36.9Very low46.4Very low187 Ų187125.5 Ų125.573%0.73376%0.756SS**SBendtrans77107.5170-23.5-66.5000115.8R205R205-Y208 PolarHBondContact NH1-OH 3.38Å; R205-Y208 PolarHBondContact NH2-OH 3.12Å
209G41.6Very low45.2Very low73 Ų73126.8 Ų126.875%0.75376%0.758SS**  trans138.368.4156.900000114.8P211G209-P211 WeakPolarHBondContact O-CD 3.42Å
210S40.2Very low44.2Very low126 Ų126128.9 Ų128.988%0.88177%0.768SS**  trans-79.5130.6157.1-173.30000108.3
211P43.2Very low43.4Very low119 Ų119127.7 Ų127.777%0.77377%0.772SS**  trans-132.9121.314822.8-3.3000111.7G209G209-P211 WeakPolarHBondContact O-CD 3.42Å
212G39.9Very low42.6Very low84 Ų84121.6 Ų121.687%0.86678%0.777SS**  trans7795.914300000117.3
213G45.7Very low42.1Very low69 Ų69122.6 Ų122.671%0.71179%0.788SS**  trans-142.5128.4155.500000108.8
214P47.6Very low41.7Very low130 Ų130118.1 Ų118.184%0.84479%0.786SS**  trans-80.4130.8-165.5-2.420.2000112.8
215D40.4Very low41.7Very low137 Ų137117 Ų11773%0.73378%0.781SS**  23.9110.1126.1-165.935000118.4
216M47.4Very low41.7Very low179 Ų179112.7 Ų112.788%0.88278%0.778SS**  trans-169.493.1137.8-79.2-49.3175.300105.1
217G42.4Very low41.9Very low66 Ų66117.5 Ų117.568%0.6878%0.776SS**  71127.192.600000111.9
218I41.9Very low42.1Very low159 Ų159119.3 Ų119.382%0.81579%0.794SS**  cis-162.2155.915.8-82-176.2000106.3
219P45.3Very low42Very low93 Ų93122.9 Ų122.960%0.60481%0.806SS**  trans-99.6177.3-159.736.3-24.9000113.7
220Y44.7Very low41.9Very low226 Ų226122.8 Ų122.889%0.88681%0.806SS**  trans161.6131.9130.4-88.9-72.1000112.7
221G41.8Very low42Very low77 Ų77122.9 Ų122.979%0.79480%0.797SS**  trans90.9103.4162.200000114.3
222G39.1Very low42.1Very low90 Ų90125.7 Ų125.793%0.92880%0.797SS**  8311955.500000108.4
223G38.4Very low42.1Very low82 Ų82127.8 Ų127.885%0.84579%0.788SS**  cis-179.9175.42.400000107.7
224G37.5Very low42.1Very low78 Ų78129.5 Ų129.580%0.80479%0.785SS**  trans99.481.8153.200000119.8
225I41.4Very low41.6Very low164 Ų164130 Ų13084%0.84178%0.779SS**  30.2146125.7-64.6-172.5000122.2
226P44.7Very low41.4Very low100 Ų100130.1 Ų130.165%0.64978%0.779SS**  trans-118.7158.4-144.540.6-27.4000115.6
227H44.2Very low40.8Very low191 Ų191124.8 Ų124.888%0.88477%0.771SS**  trans-157.6140.2165.6-78.792.5000115.1
228G39.6Very low40.4Very low75 Ų75132.7 Ų132.777%0.77378%0.78SS**  trans84.2106.2143.900000117.8
229R36.1Very low40.3Very low262 Ų262130 Ų13099%0.98978%0.781SS**  72.8117.971.8-162.7-175.3-162.8-171.26.1115.1
230G37.6Very low40.3Very low72 Ų72129.9 Ų129.974%0.74279%0.788SS**  trans133.8107.916000000111.7
231N43.6Very low40.4Very low128 Ų128124.9 Ų124.968%0.68478%0.784SS**  cis104.8119.739.5-17444.7000112.4
232K44.8Very low40.5Very low178 Ų178126.4 Ų126.477%0.77478%0.782SS**  trans63.4140.2161.9-69.9159.4-162.5-173.60115.2
233N40.8Very low40.9Very low127 Ų127127.2 Ų127.268%0.67977%0.771SS**  cis-177.4150.347.4-161.526.7000108.9
234T45Very low41.2Very low106 Ų106131.8 Ų131.865%0.6577%0.773SS**  trans55.2139.5143.554.80000119.2
235L36.7Very low41.4Very low139 Ų139134.2 Ų134.273%0.72878%0.777SS**  cis173.3143.444.3-162.557.7000108.8
236L35.9Very low41.3Very low140 Ų140129.8 Ų129.873%0.73377%0.772SS**  trans48.4133.2146.9-66.5163.3000121.9
237G36.1Very low41Very low68 Ų68129.1 Ų129.170%0.70178%0.783SS**  trans167.961.1156.300000119.2
238W34Very low40.6Very low231 Ų231124.2 Ų124.288%0.87578%0.784SS**  trans19.6128.3142-58.674000121.6
239A39.3Very low40.4Very low102 Ų102124.1 Ų124.184%0.84378%0.784SS**  146.8130.5114.800000113.9
240A44.7Very low40.2Very low91 Ų91124.4 Ų124.475%0.75279%0.785SS**  trans-82-160.2175.900000111.4
241P47.7Very low40.3Very low122 Ų122124.6 Ų124.679%0.79279%0.787SS**  cis-136.5176.5-13.327.4-2.6000115
242S42.3Very low39.9Very low109 Ų109123.5 Ų123.576%0.76280%0.796SS**  trans-54.7168.4172.8-37.10000114.9
243P48.8Very low39.7Very low106 Ų106123.2 Ų123.269%0.68880%0.797SS**  -157.5165.988.241.3-21000118.5
244M44.3Very low39.4Very low179 Ų179124 Ų12488%0.88280%0.801SS**  trans81.9136.5140.9-74.8156.8101.900123.6
245S42.5Very low38.9Very low128 Ų128125.7 Ų125.790%0.89581%0.806SS**  trans76.3127.5158.7-156.80000115.5
246G39.2Very low38.7Very low71 Ų71130.8 Ų130.873%0.73282%0.816SS**  cis133.9131.522.400000107.5
247G38.1Very low38.8Very low86 Ų86127.1 Ų127.189%0.88781%0.812SS**  trans100.8121.1166.500000115.6
248G34.8Very low38.6Very low88 Ų88127 Ų12791%0.90781%0.811SS**  trans-81.8176.7-175.400000115.4
249G35.1Very low38.9Very low74 Ų74126.9 Ų126.976%0.76381%0.812SS**  trans164.9115.4173.200000111.7
250W33.4Very low39Very low268 Ų268125.7 Ų125.7100%1.01581%0.81SS**  trans-65.5136.2-179.5-61.975.3000111.5
251G39.2Very low38.5Very low76 Ų76127.2 Ų127.278%0.78482%0.815SS**  trans174.6103.3172.200000112.2
252A35Very low38.5Very low105 Ų105127 Ų12787%0.86881%0.813SS**  trans-69.5123.417200000110.2
253Q41.1Very low38.1Very low171 Ų171127.4 Ų127.480%0.79982%0.816SS**  trans-163.6108.9150.3-149.4161.8-2.900111.8
254D33.7Very low37.6Very low145 Ų145125.7 Ų125.778%0.77582%0.818SS**  trans10.2109.9140.6-14.1-52.6000117.5
255N34.9Very low37.1Very low140 Ų140125.5 Ų125.575%0.74982%0.815SS**  trans-167.9111.7135.8-140.69.6000113.6
256W33.2Very low36.6Very low246 Ų246131.1 Ų131.193%0.93282%0.817SS**  trans40.7126.4134.1-66.564.6000122.2
257G36.6Very low36.5Very low64 Ų64131.3 Ų131.366%0.6682%0.819SS**  trans146.7109.3138.400000117.4
258G33.7Very low36.2Very low65 Ų65135.2 Ų135.267%0.6782%0.819SS**  trans65.5151.415800000114.9
259Y40.1Very low36.2Very low228 Ų228136.7 Ų136.789%0.89482%0.815SS**  cis-160.5130.132.8-57.9-91.7000105.2
260G40.2Very low35.9Very low78 Ų78144.3 Ų144.380%0.80482%0.822SS**  94.688.9100.900000112.5
261S34.4Very low35.9Very low122 Ų122138 Ų13885%0.85381%0.807SS**  trans-110.2139.4162.4-59.40000109.4
262P47.3Very low35.5Very low117 Ų117142.6 Ų142.676%0.7681%0.808SS**  trans-106.2110157.115.93.2000110.7
263S34.5Very low35.4Very low118 Ų118140.9 Ų140.983%0.82580%0.801SS**  35.7115128.461.90000120.3
264G37.5Very low34.9Very low70 Ų70138.6 Ų138.672%0.72280%0.804SS**  trans-166.3106141.300000106.8
265Q34.3Very low34.9Very low176 Ų176136.2 Ų136.282%0.82280%0.799SS**  28.9115.694.7-78.3169.718.200109.9
266W32.4Very low34.8Very low245 Ų245142.5 Ų142.593%0.92881%0.812SS**  -161134.965.8-73.778.1000107
267G37Very low34.9Very low75 Ų75136.2 Ų136.277%0.77380%0.797SS**  99.795.482.800000110.7
268N31.3Very low34.8Very low169 Ų169140.9 Ų140.990%0.90480%0.801SS**  trans-63.7131.2173.8-72.5-25.1000111
269S35.9Very low35.1Very low118 Ų118143.2 Ų143.283%0.82581%0.807SS**  trans-150.9117.8148.2-168.50000110.3
270W28.2Very low35.2Very low235 Ų235142.5 Ų142.589%0.8981%0.809SS**  trans-66.1159.9162.3-71.368.4000109.4
271N33.2Very low35Very low134 Ų134144.2 Ų144.272%0.71781%0.808SS**  trans109.5126.6146.1-144.720000117.9
272Q30.7Very low35.2Very low173 Ų173145.2 Ų145.281%0.80880%0.802SS**  trans78130.2153.3-73.6172.8102.100121.1
273G32.5Very low34.9Very low69 Ų69146.1 Ų146.171%0.71180%0.796SS**  trans12289136.700000116.6
274S32.2Very low35.2Very low123 Ų123148 Ų14886%0.8679%0.792SS**  25142.9126.6-49.80000121.3
275S32.5Very low35.7Very low95 Ų95154.1 Ų154.166%0.66480%0.799SS**  trans90.3107.1149.8-170.80000118
276W32.8Very low36Very low272 Ų272153.7 Ų153.7100%1.0380%0.802SS**  trans-129.198.6144.3-74.983.9000108.9
277N36.2Very low37Very low115 Ų115146.8 Ų146.862%0.61580%0.797SS**  trans-104.2140.7163.4-170.622.7000108
278Q34.2Very low37.4Very low161 Ų161149.3 Ų149.375%0.75280%0.797SS**  trans56120.2155.8-80.8165.849.300120
279S39.6Very low38.6Very low114 Ų114148.6 Ų148.680%0.79779%0.792SS**  -174.1115122.6-80.60000110.5
280K41.6Very low39.3Very low213 Ų213158.1 Ų158.193%0.92681%0.809SS**  178.8112.5111.7-93174.1-174.9-172.30110.7
281C37Very low39.9Very low115 Ų115154.3 Ų154.378%0.77781%0.805SS**  trans-73.6168.4170.3-550000112.2
282L37.8Very low40.3Very low142 Ų142155.3 Ų155.374%0.74381%0.81SS**  110.6129.9127.4-92.1158.1000119.9
283H41.1Very low40.8Very low137 Ų137154.3 Ų154.363%0.63481%0.81SS**  trans86.7100.3157.5-67.5102.6000117.8
284Q41.8Very low41.3Very low157 Ų157159.4 Ų159.473%0.73482%0.816SS**  80.5116.287.2-95-174.9-8.600112
285F46.7Very low41.8Very low199 Ų199161.6 Ų161.687%0.87381%0.813SS**  -170.4122113-108.6-81.5000110.3
286L41.5Very low42.5Very low166 Ų166166.1 Ų166.187%0.86982%0.823SS**  trans-62.9140.4159.7-81.4141.2000109.7
287A53.1Low43.2Very low100 Ų100158.5 Ų158.583%0.82681%0.808SS**  trans-172.3120133.400000110.9
288V45.4Very low43.7Very low128 Ų128161.8 Ų161.878%0.77682%0.823SS**  trans-60.1149.1160.6169.30000110
289I56.9Low44.5Very low155 Ų155161.9 Ų161.980%0.79583%0.829SS**  trans155.592.7139.4-73.8153.6000108.5
290R51.5Low44.9Very low317 Ų317166.3 Ų166.3100%1.19683%0.832SS**  170.50112.7-120.7179.6179.4152.1-0.2110.5

Retrieved 290 of 290 residues in 561.4 ms (Link to these results)

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