A0A087XB63_POEFO Loading...

T-box transcription factor 22

AlphaFold DB , UniProt , Accession A0A087XB63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 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
1R66.2Low93.4Very high255 Ų25580.5 Ų80.596%0.96238%0.383SS*.  0152.40-72.5179.1179.21691107.2N42R1-N42 HydrophobicContact CB-CB 4.13Å
2E88.4Confident93.8Very high131 Ų13177.3 Ų77.361%0.61237%0.37SS*.  trans-66.9132174.8179.6-168-133.200111R4 N42E2-R4 IonicContact OE2-CZ 2.92Å; E2-R4 IonicContact OE2-NE 3.26Å; E2-R4 PolarHBondContact OE2-NE 3.41Å; E2-R4 IonicContact OE2-NH2 3.77Å; E2-R4 PolarHBondContact OE2-NH2 2.66Å; E2-N42 WeakPolarHBondContact O-CB 3.35Å; E2-N42 PolarHBondContact O-ND2 3.26Å
3V94.6Very high94.2Very high16 Ų1671.5 Ų71.510%0.09734%0.342CS..  trans-70.2138.8176.9-177.70000109.9V40 L43 I138 N159 F161V3-V40 HydrophobicContact CG1-CG1 4.38Å; V3-L43 HydrophobicContact CB-CD2 4.44Å; V3-L43 HydrophobicContact CG1-CD2 3.53Å; V3-L43 HydrophobicContact CG2-CD2 3.98Å; V3-I138 HydrophobicContact CG1-CD1 4.05Å; V3-N159 HydrophobicContact CB-CB 4.4Å; V3-N159 HydrophobicContact CG1-CB 4.48Å; V3-F161 HydrophobicContact CB-CZ 4.28Å; V3-F161 HydrophobicContact CG1-CE2 4.28Å; V3-F161 HydrophobicContact CG1-CZ 3.94Å; V3-F161 WeakPolarHBondContact O-CZ 2.92Å
4R96.1Very high94.5Very high137 Ų13773 Ų7352%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-131143.4-178.4-65.8-175.3175.5-172.9-4.3112E2 V40 R41E2-R4 IonicContact OE2-CZ 2.92Å; E2-R4 IonicContact OE2-NE 3.26Å; E2-R4 PolarHBondContact OE2-NE 3.41Å; E2-R4 IonicContact OE2-NH2 3.77Å; E2-R4 PolarHBondContact OE2-NH2 2.66Å; R4-V40 CarbonylContact O-C 3.56Å; R4-V40 WeakPolarHBondContact O-CA 3.24Å; R4-R41 PolarHBondContact N-O 3.12Å; R4-R41 PolarHBondContact O-N 3.25Å
5A97.2Very high94.7Very high14 Ų1474.7 Ų74.712%0.11635%0.348CS..EExtended strand (participates in β ladder)trans-129.5134.1172.900000111.2K39 F161 F163A5-K39 CarbonylContact C-O 3.58Å; A5-K39 WeakPolarHBondContact CA-O 3.48Å; A5-F161 HydrophobicContact CB-CB 4.09Å; A5-F161 HydrophobicContact CB-CD1 3.77Å; A5-F161 HydrophobicContact CB-CD2 3.78Å; A5-F161 HydrophobicContact CB-CE1 4.16Å; A5-F161 HydrophobicContact CB-CE2 4.16Å; A5-F161 HydrophobicContact CB-CG 3.57Å; A5-F161 HydrophobicContact CB-CZ 4.34Å; A5-F163 HydrophobicContact CB-CZ 4.43Å
6E97.9Very high95Very high67 Ų6770.1 Ų70.131%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-118.9119.7-176.9-68.4162.1-16600110.5Q8 V38 K39 R41E6-Q8 PolarHBondContact O-N 3.36Å; E6-Q8 PolarHBondContact O-NE2 3.21Å; E6-Q8 VanDerWaalsContact O-NE2 3.16Å; E6-V38 WeakPolarHBondContact O-CA 3.36Å; E6-K39 HydrophobicContact CB-CB 4.4Å; E6-K39 PolarHBondContact N-O 3.21Å; E6-K39 PolarHBondContact O-N 3.38Å; E6-R41 VanDerWaalsContact CD-NE 3.32Å; E6-R41 VanDerWaalsContact CD-NH2 3.34Å; E6-R41 IonicContact OE1-CZ 3.38Å; E6-R41 VanDerWaalsContact OE1-CZ 3.22Å; E6-R41 IonicContact OE1-NE 3.77Å; E6-R41 PolarHBondContact OE1-NE 2.89Å; E6-R41 IonicContact OE1-NH2 3.61Å; E6-R41 PolarHBondContact OE1-NH2 3.11Å; E6-R41 VanDerWaalsContact OE1-NH2 3.12Å; E6-R41 IonicContact OE2-CZ 3.51Å; E6-R41 IonicContact OE2-NE 2.67Å; E6-R41 PolarHBondContact OE2-NE 2.8Å; E6-R41 IonicContact OE2-NH2 3.12Å; E6-R41 PolarHBondContact OE2-NH2 3.04Å
7L98.4Very high95.2Very high13 Ų1372.5 Ų72.57%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-62.9118.1177.7-179.366.6000111.3W13 F163 E165 T166L7-W13 HydrophobicContact CD2-CB 4.33Å; L7-W13 HydrophobicContact CD2-CG 4.21Å; L7-F163 HydrophobicContact CB-CD1 3.77Å; L7-F163 HydrophobicContact CB-CD2 4.05Å; L7-F163 HydrophobicContact CB-CE1 3.86Å; L7-F163 HydrophobicContact CB-CE2 4.13Å; L7-F163 HydrophobicContact CB-CG 3.87Å; L7-F163 HydrophobicContact CB-CZ 4.04Å; L7-F163 HydrophobicContact CD1-CD2 4.14Å; L7-F163 HydrophobicContact CD1-CE2 4.49Å; L7-F163 HydrophobicContact CD2-CB 3.96Å; L7-F163 HydrophobicContact CD2-CG 4.1Å; L7-F163 HydrophobicContact CG-CD2 4.46Å; L7-F163 HydrophobicContact CG-CG 4.39Å; L7-E165 HydrophobicContact CD2-CG 3.65Å; L7-T166 HydrophobicContact CD1-CG2 3.96Å; L7-T166 HydrophobicContact CD2-CG2 3.67Å
8Q98.2Very high95.3Very high62 Ų6276.3 Ų76.329%0.2935%0.351SS..THydrogen-bonded Turntrans-89.1126.2-179-62.3-58.7-58.600110.8E6 R37 K39 V104E6-Q8 PolarHBondContact O-N 3.36Å; E6-Q8 PolarHBondContact O-NE2 3.21Å; E6-Q8 VanDerWaalsContact O-NE2 3.16Å; Q8-R37 HydrophobicContact CB-CB 4.04Å; Q8-R37 PolarHBondContact N-O 2.95Å; Q8-K39 HydrophobicContact CG-CB 4.04Å; Q8-V104 HydrophobicContact CB-CG1 4.09Å; Q8-V104 HydrophobicContact CG-CG1 3.73Å; Q8-V104 HydrophobicContact CG-CG2 4Å
9G96.1Very high95.4Very high45 Ų4575.1 Ų75.146%0.46435%0.346SS..THydrogen-bonded Turntrans77.326-171.800000113.8E11 L12 W13G9-E11 PolarHBondContact O-N 3.14Å; G9-L12 WeakPolarHBondContact O-CB 3.44Å; G9-L12 PolarHBondContact O-N 3.01Å; G9-W13 PolarHBondContact O-N 3.45Å
10S96.9Very high95.5Very high41 Ų4172.5 Ų72.529%0.28734%0.342SS..Hα-helixtrans-50.3-36.2175.351.80000113.5L12 W13 K14S10-L12 VanDerWaalsContact C-N 3.26Å; S10-L12 PolarHBondContact O-N 2.81Å; S10-W13 WeakPolarHBondContact O-CA 3.47Å; S10-W13 WeakPolarHBondContact O-CB 3.45Å; S10-W13 PolarHBondContact O-N 2.82Å; S10-K14 WeakPolarHBondContact O-CG 3.31Å; S10-K14 PolarHBondContact O-N 2.65Å
11E97.9Very high95.7Very high104 Ų10469.2 Ų69.249%0.48633%0.326SS..Hα-helixtrans-56-34.1172.7176.854.9-155.200114G9 R15G9-E11 PolarHBondContact O-N 3.14Å; E11-R15 WeakPolarHBondContact O-CG 3.11Å; E11-R15 IonicContact OE1-CZ 3.01Å; E11-R15 IonicContact OE1-NE 3.55Å; E11-R15 PolarHBondContact OE1-NE 3.48Å; E11-R15 IonicContact OE1-NH2 3.24Å; E11-R15 PolarHBondContact OE1-NH2 3.19Å
12L98Very high97.2Very high43 Ų4357 Ų5723%0.22528%0.28CS..Hα-helixtrans-78.1-36.5174.3-177.961.8000111.4G9 S10 F16 F33 P34 R186G9-L12 WeakPolarHBondContact O-CB 3.44Å; G9-L12 PolarHBondContact O-N 3.01Å; S10-L12 VanDerWaalsContact C-N 3.26Å; S10-L12 PolarHBondContact O-N 2.81Å; L12-F16 HydrophobicContact CD1-CD2 4.34Å; L12-F16 HydrophobicContact CD1-CE2 3.96Å; L12-F16 HydrophobicContact CG-CD2 4.3Å; L12-F16 HydrophobicContact CG-CE2 4.13Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.36Å; L12-F33 HydrophobicContact CD2-CZ 4.2Å; L12-P34 HydrophobicContact CD2-CB 4.16Å; L12-P34 HydrophobicContact CD2-CG 3.88Å; L12-P34 HydrophobicContact CG-CG 3.86Å; L12-R186 HydrophobicContact CD1-CB 4.07Å; L12-R186 HydrophobicContact CD1-CG 3.9Å
13W98.5Very high97.7Very high2 Ų251 Ų511%0.00825%0.252CS..Hα-helixtrans-63.7-45.9176.2-81.1102.8000112L7 G9 S10 R15 F16 Y17 T21 M23 P34 V36 E165 T166L7-W13 HydrophobicContact CD2-CB 4.33Å; L7-W13 HydrophobicContact CD2-CG 4.21Å; G9-W13 PolarHBondContact O-N 3.45Å; S10-W13 WeakPolarHBondContact O-CA 3.47Å; S10-W13 WeakPolarHBondContact O-CB 3.45Å; S10-W13 PolarHBondContact O-N 2.82Å; W13-R15 VanDerWaalsContact C-N 3.34Å; W13-R15 PolarHBondContact O-N 2.93Å; W13-F16 WeakPolarHBondContact O-CA 3.41Å; W13-F16 WeakPolarHBondContact O-CB 3.44Å; W13-F16 PolarHBondContact O-N 2.94Å; W13-Y17 WeakPolarHBondContact O-CB 3.43Å; W13-Y17 PolarHBondContact O-N 3.24Å; W13-T21 HydrophobicContact CZ3-CG2 4.37Å; W13-M23 HydrophobicContact CH2-CE 3.53Å; W13-M23 HydrophobicContact CZ3-CE 3.74Å; W13-P34 HydrophobicContact CD2-CB 4.21Å; W13-P34 HydrophobicContact CD2-CG 4.16Å; W13-P34 HydrophobicContact CG-CG 4.5Å; W13-P34 WeakPolarHBondContact CH2-O 3.38Å; W13-P34 HydrophobicContact CZ2-CB 3.98Å; W13-P34 VanDerWaalsContact CZ2-O 3.25Å; W13-P34 WeakPolarHBondContact CZ2-O 3.45Å; W13-V36 HydrophobicContact CH2-CG2 4.21Å; W13-V36 HydrophobicContact CZ2-CG2 3.84Å; W13-E165 HydrophobicContact CB-CB 4.34Å; W13-E165 HydrophobicContact CB-CG 3.84Å; W13-T166 HydrophobicContact CD2-CG2 3.81Å; W13-T166 HydrophobicContact CE3-CG2 3.98Å; W13-T166 HydrophobicContact CG-CG2 4.21Å; W13-T166 HydrophobicContact CH2-CG2 4.4Å; W13-T166 HydrophobicContact CZ2-CG2 4.27Å; W13-T166 HydrophobicContact CZ3-CG2 4.26Å
14K98.4Very high97.9Very high92 Ų9251.5 Ų51.540%0.425%0.254SS..Hα-helixtrans-54.5-46.4176.8-72.5174.7-179.9-176.90112.5S10 F16 Y17 E18 E165S10-K14 WeakPolarHBondContact O-CG 3.31Å; S10-K14 PolarHBondContact O-N 2.65Å; K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.68Å; K14-Y17 WeakPolarHBondContact O-CB 3.45Å; K14-Y17 PolarHBondContact O-N 3.35Å; K14-E18 WeakPolarHBondContact O-CB 3.23Å; K14-E18 VanDerWaalsContact O-CG 3.24Å; K14-E18 WeakPolarHBondContact O-CG 3.41Å; K14-E18 PolarHBondContact O-N 2.82Å; K14-E165 WeakPolarHBondContact CE-OE1 3.48Å; K14-E165 HydrophobicContact CG-CB 3.96Å; K14-E165 HydrophobicContact CG-CG 4.18Å
15R98.4Very high98Very high99 Ų9945.1 Ų45.137%0.37423%0.23SC..Hα-helixtrans-64.3-24.3176-64.5174.5-169.4-132.47.6114.6E11 W13 I19 L182E11-R15 WeakPolarHBondContact O-CG 3.11Å; E11-R15 IonicContact OE1-CZ 3.01Å; E11-R15 IonicContact OE1-NE 3.55Å; E11-R15 PolarHBondContact OE1-NE 3.48Å; E11-R15 IonicContact OE1-NH2 3.24Å; E11-R15 PolarHBondContact OE1-NH2 3.19Å; W13-R15 VanDerWaalsContact C-N 3.34Å; W13-R15 PolarHBondContact O-N 2.93Å; R15-I19 WeakPolarHBondContact O-CD1 3.25Å; R15-I19 WeakPolarHBondContact O-CG1 3.24Å; R15-L182 HydrophobicContact CB-CD2 4.26Å; R15-L182 WeakPolarHBondContact O-CD2 3.46Å
16F98.4Very high97.9Very high0 Ų046.8 Ų46.80%024%0.239CC..Hα-helixtrans-81.1-40.1169-83.8-70000111.5L12 W13 K14 I19 G20 T21 F33 P34 I179 L182 K183L12-F16 HydrophobicContact CD1-CD2 4.34Å; L12-F16 HydrophobicContact CD1-CE2 3.96Å; L12-F16 HydrophobicContact CG-CD2 4.3Å; L12-F16 HydrophobicContact CG-CE2 4.13Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.36Å; W13-F16 WeakPolarHBondContact O-CA 3.41Å; W13-F16 WeakPolarHBondContact O-CB 3.44Å; W13-F16 PolarHBondContact O-N 2.94Å; K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.68Å; F16-I19 PolarHBondContact O-N 3.29Å; F16-G20 CarbonylContact O-C 3.57Å; F16-G20 PolarHBondContact O-N 3.06Å; F16-G20 VanDerWaalsContact O-N 3.07Å; F16-T21 VanDerWaalsContact C-OG1 3.27Å; F16-T21 HydrophobicContact CB-CG2 4.06Å; F16-T21 PolarHBondContact O-N 2.93Å; F16-T21 PolarHBondContact O-OG1 2.92Å; F16-F33 HydrophobicContact CE2-CD1 4.37Å; F16-F33 AromaticContact CE2-CE1 3.94Å; F16-F33 HydrophobicContact CE2-CE1 3.94Å; F16-F33 HydrophobicContact CZ-CD1 4.22Å; F16-F33 AromaticContact CZ-CE1 3.95Å; F16-F33 HydrophobicContact CZ-CE1 3.95Å; F16-P34 HydrophobicContact CD2-CG 3.54Å; F16-P34 HydrophobicContact CE2-CG 3.66Å; F16-I179 HydrophobicContact CD1-CD1 4.01Å; F16-I179 HydrophobicContact CD1-CG2 4.43Å; F16-I179 HydrophobicContact CE1-CG2 4.37Å; F16-L182 HydrophobicContact CD1-CD2 3.67Å; F16-L182 HydrophobicContact CD1-CG 4.22Å; F16-L182 HydrophobicContact CD2-CD2 4.15Å; F16-L182 HydrophobicContact CE1-CB 3.82Å; F16-L182 HydrophobicContact CE1-CD2 3.65Å; F16-L182 HydrophobicContact CE1-CG 3.66Å; F16-L182 HydrophobicContact CE2-CD2 4.14Å; F16-L182 HydrophobicContact CE2-CG 4.14Å; F16-L182 HydrophobicContact CG-CD2 3.92Å; F16-L182 HydrophobicContact CZ-CB 4.11Å; F16-L182 HydrophobicContact CZ-CD2 3.89Å; F16-L182 HydrophobicContact CZ-CG 3.61Å; F16-K183 HydrophobicContact CD1-CD 4.46Å; F16-K183 HydrophobicContact CE1-CD 3.55Å; F16-K183 HydrophobicContact CE1-CG 3.89Å; F16-K183 HydrophobicContact CZ-CD 3.76Å; F16-K183 HydrophobicContact CZ-CG 4.26Å
17Y98.1Very high97.8Very high111 Ų11151 Ų5144%0.43526%0.256SS..Hα-helixtrans-63.8-42.5179.8-179.6-96000112.4W13 K14 I19 G20 T21 P164 E165 E167W13-Y17 WeakPolarHBondContact O-CB 3.43Å; W13-Y17 PolarHBondContact O-N 3.24Å; K14-Y17 WeakPolarHBondContact O-CB 3.45Å; K14-Y17 PolarHBondContact O-N 3.35Å; Y17-I19 PolarHBondContact O-N 2.93Å; Y17-G20 PolarHBondContact O-N 3.25Å; Y17-T21 WeakPolarHBondContact CA-OG1 3.34Å; Y17-T21 PolarHBondContact N-OG1 3.49Å; Y17-P164 WeakPolarHBondContact CD2-O 3.47Å; Y17-P164 VanDerWaalsContact CE2-O 3.23Å; Y17-P164 WeakPolarHBondContact CE2-O 3.39Å; Y17-E165 HydrophobicContact CG-CB 4.39Å; Y17-E167 HydrophobicContact CD2-CB 4.48Å; Y17-E167 HydrophobicContact CE2-CB 4.2Å
18E97.8Very high97.5Very high142 Ų14253.8 Ų53.866%0.66428%0.281SS*.THydrogen-bonded Turntrans-54.6-32.4173.9-75155.9-158.300113.4K14K14-E18 WeakPolarHBondContact O-CB 3.23Å; K14-E18 VanDerWaalsContact O-CG 3.24Å; K14-E18 WeakPolarHBondContact O-CG 3.41Å; K14-E18 PolarHBondContact O-N 2.82Å
19I97.1Very high97.4Very high52 Ų5251.3 Ų51.327%0.26727%0.272SS..THydrogen-bonded Turntrans-94.5-12.5179.9-55.4175.1000111.2R15 F16 Y17 N176 Q178 I179 L182R15-I19 WeakPolarHBondContact O-CD1 3.25Å; R15-I19 WeakPolarHBondContact O-CG1 3.24Å; F16-I19 PolarHBondContact O-N 3.29Å; Y17-I19 PolarHBondContact O-N 2.93Å; I19-N176 VanDerWaalsContact CG2-ND2 3.32Å; I19-N176 WeakPolarHBondContact CG2-ND2 3.48Å; I19-N176 PolarHBondContact O-ND2 3.27Å; I19-Q178 HydrophobicContact CG2-CB 3.7Å; I19-I179 HydrophobicContact CB-CD1 3.66Å; I19-I179 HydrophobicContact CB-CG1 4.46Å; I19-I179 HydrophobicContact CG2-CD1 3.47Å; I19-I179 VanDerWaalsContact CG2-CD1 3.47Å; I19-I179 HydrophobicContact CG2-CG1 3.74Å; I19-L182 HydrophobicContact CD1-CD2 3.92Å
20G97.6Very high97.5Very high24 Ų2455.9 Ų55.925%0.24728%0.275CS..  trans85.889.7-170.400000112F16 Y17 E22 I179F16-G20 CarbonylContact O-C 3.57Å; F16-G20 PolarHBondContact O-N 3.06Å; F16-G20 VanDerWaalsContact O-N 3.07Å; Y17-G20 PolarHBondContact O-N 3.25Å; G20-E22 PolarHBondContact O-N 3.22Å; G20-I179 VanDerWaalsContact O-CD1 3.29Å; G20-I179 WeakPolarHBondContact O-CD1 3.39Å
21T98.6Very high97.5Very high3 Ų360.1 Ų60.12%0.01829%0.285CS..  trans-54.2128.1-175.6-47.60000112.3W13 F16 Y17 M23 E167 F168 T169W13-T21 HydrophobicContact CZ3-CG2 4.37Å; F16-T21 VanDerWaalsContact C-OG1 3.27Å; F16-T21 HydrophobicContact CB-CG2 4.06Å; F16-T21 PolarHBondContact O-N 2.93Å; F16-T21 PolarHBondContact O-OG1 2.92Å; Y17-T21 WeakPolarHBondContact CA-OG1 3.34Å; Y17-T21 PolarHBondContact N-OG1 3.49Å; T21-M23 HydrophobicContact CG2-CE 4.1Å; T21-E167 VanDerWaalsContact CB-O 3.29Å; T21-E167 WeakPolarHBondContact CB-O 3.4Å; T21-E167 PolarHBondContact OG1-O 2.97Å; T21-F168 HydrophobicContact CG2-CB 3.7Å; T21-F168 CarbonylContact O-C 3.6Å; T21-F168 WeakPolarHBondContact O-CA 3.48Å; T21-F168 WeakPolarHBondContact O-CB 3.44Å; T21-T169 PolarHBondContact O-N 2.95Å
22E98.7Very high97.5Very high0 Ų055.5 Ų55.50%026%0.264CS..EExtended strand (participates in β ladder)trans-109.6143.7169.2-59.4177.7-163.800111.5G20 W72 T169 V171 Y174 Q175 N176 I179 K183G20-E22 PolarHBondContact O-N 3.22Å; E22-W72 HydrophobicContact CG-CZ2 4.06Å; E22-T169 WeakPolarHBondContact CA-O 3.21Å; E22-V171 HydrophobicContact CB-CG2 4.02Å; E22-V171 HydrophobicContact CG-CG1 4.49Å; E22-Y174 HydrophobicContact CB-CD1 3.95Å; E22-Y174 HydrophobicContact CB-CE1 4.28Å; E22-Y174 WeakPolarHBondContact OE2-CA 3.29Å; E22-Y174 WeakPolarHBondContact OE2-CD1 3.32Å; E22-Q175 PolarHBondContact OE1-N 3.49Å; E22-Q175 PolarHBondContact OE2-N 3.42Å; E22-N176 WeakPolarHBondContact OE1-CB 3.37Å; E22-N176 PolarHBondContact OE1-N 2.88Å; E22-I179 HydrophobicContact CB-CG2 4.05Å; E22-I179 HydrophobicContact CG-CG1 4.31Å; E22-I179 HydrophobicContact CG-CG2 4.4Å; E22-K183 WeakPolarHBondContact O-CE 3.5Å; E22-K183 PolarHBondContact O-NZ 2.89Å
23M98.7Very high97.5Very high4 Ų454.9 Ų54.92%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-126127.4171.7-66.2-65.3-173.300111W13 T21 M32 L112 F168 T169 T170 V171W13-M23 HydrophobicContact CH2-CE 3.53Å; W13-M23 HydrophobicContact CZ3-CE 3.74Å; T21-M23 HydrophobicContact CG2-CE 4.1Å; M23-M32 HydrophobicContact CE-CB 4.11Å; M23-M32 HydrophobicContact CE-CG 4.46Å; M23-M32 HydrophobicContact SD-CB 4.13Å; M23-M32 HydrophobicContact SD-CG 4.35Å; M23-L112 HydrophobicContact CB-CD1 4.01Å; M23-L112 HydrophobicContact CG-CD1 4.47Å; M23-F168 HydrophobicContact CB-CD2 3.57Å; M23-F168 HydrophobicContact CB-CE2 3.79Å; M23-F168 HydrophobicContact CB-CG 4.11Å; M23-F168 HydrophobicContact CB-CZ 4.48Å; M23-F168 HydrophobicContact CE-CD1 4.41Å; M23-F168 HydrophobicContact CG-CB 3.85Å; M23-F168 HydrophobicContact CG-CD1 3.83Å; M23-F168 HydrophobicContact CG-CD2 3.45Å; M23-F168 VanDerWaalsContact CG-CD2 3.45Å; M23-F168 HydrophobicContact CG-CE1 4.2Å; M23-F168 HydrophobicContact CG-CE2 3.85Å; M23-F168 HydrophobicContact CG-CG 3.44Å; M23-F168 VanDerWaalsContact CG-CG 3.44Å; M23-F168 HydrophobicContact CG-CZ 4.21Å; M23-T169 PolarHBondContact N-O 3.1Å; M23-T170 WeakPolarHBondContact O-CA 3.33Å; M23-V171 PolarHBondContact O-N 3.19Å
24I98.5Very high97.5Very high27 Ų2755.1 Ų55.114%0.13826%0.261CS..EExtended strand (participates in β ladder)trans-71.4133.1176.1-65-78000109.9T26 R30 V171 Y174I24-T26 HydrophobicContact CG2-CG2 3.86Å; I24-R30 HydrophobicContact CB-CG 4.1Å; I24-R30 HydrophobicContact CG2-CB 4.31Å; I24-R30 HydrophobicContact CG2-CG 3.92Å; I24-R30 WeakPolarHBondContact O-CB 3.38Å; I24-V171 CarbonylContact C-O 3.54Å; I24-V171 VanDerWaalsContact CA-O 3.27Å; I24-V171 WeakPolarHBondContact CA-O 3.25Å; I24-V171 HydrophobicContact CD1-CG2 4.05Å; I24-Y174 HydrophobicContact CD1-CD1 4.07Å; I24-Y174 HydrophobicContact CD1-CD2 4.2Å; I24-Y174 HydrophobicContact CD1-CE1 4.09Å; I24-Y174 HydrophobicContact CD1-CE2 4.22Å; I24-Y174 HydrophobicContact CD1-CG 4.12Å; I24-Y174 HydrophobicContact CG1-CD1 4.11Å; I24-Y174 HydrophobicContact CG1-CD2 4.38Å; I24-Y174 HydrophobicContact CG1-CE1 3.61Å; I24-Y174 HydrophobicContact CG1-CE2 3.91Å; I24-Y174 HydrophobicContact CG1-CG 4.47Å; I24-Y174 VanDerWaalsContact CG1-CZ 3.49Å
25I97.8Very high97.4Very high2 Ų252.1 Ų52.11%0.0125%0.252CS..  trans-117.4141.8169.266.3176.2000110.6L112 N114 L126 T170 V171I25-L112 HydrophobicContact CG2-CB 3.76Å; I25-L112 HydrophobicContact CG2-CD1 4.48Å; I25-N114 HydrophobicContact CD1-CB 3.69Å; I25-N114 HydrophobicContact CG1-CB 4.02Å; I25-L126 WeakPolarHBondContact CD1-O 3.15Å; I25-T170 HydrophobicContact CG2-CG2 3.89Å; I25-V171 PolarHBondContact N-O 2.88Å
26T96.9Very high97.4Very high50 Ų5047.5 Ų47.531%0.30723%0.234SC..  trans-145.5157.7-17967.90000111.7I24 A28 G29 R30 T113I24-T26 HydrophobicContact CG2-CG2 3.86Å; T26-A28 PolarHBondContact O-N 3.02Å; T26-A28 VanDerWaalsContact O-N 3.15Å; T26-G29 WeakPolarHBondContact O-CA 3.35Å; T26-G29 PolarHBondContact O-N 3.27Å; T26-G29 PolarHBondContact OG1-N 3.18Å; T26-R30 HydrophobicContact CG2-CB 4.42Å; T26-T113 WeakPolarHBondContact O-CA 3.33Å; T26-T113 WeakPolarHBondContact O-CB 3.36Å; T26-T113 PolarHBondContact O-OG1 2.83Å
27K94.1Very high97.4Very high155 Ų15552.8 Ų52.867%0.67425%0.254SS*.THydrogen-bonded Turntrans-55.9-34.4-177.8-172.4177.4-178.4177.10113.9G29 T113 N114 N115K27-G29 VanDerWaalsContact C-N 3.35Å; K27-T113 PolarHBondContact O-OG1 3.2Å; K27-N114 PolarHBondContact N-OD1 2.86Å; K27-N115 HydrophobicContact CG-CB 4.2Å
28A93.6Very high97.4Very high71 Ų7147.5 Ų47.559%0.58723%0.233SC*.THydrogen-bonded Turntrans-92.16178.200000113.9T26 K111 Q123T26-A28 PolarHBondContact O-N 3.02Å; T26-A28 VanDerWaalsContact O-N 3.15Å; A28-K111 PolarHBondContact O-NZ 3.28Å; A28-Q123 PolarHBondContact O-OE1 2.8Å
29G95.4Very high97.5Very high10 Ų1042.7 Ų42.710%0.10321%0.21CC..  trans72131.518000000115.2T26 K27 K111 L112 Q123T26-G29 WeakPolarHBondContact O-CA 3.35Å; T26-G29 PolarHBondContact O-N 3.27Å; T26-G29 PolarHBondContact OG1-N 3.18Å; K27-G29 VanDerWaalsContact C-N 3.35Å; G29-K111 WeakPolarHBondContact O-CE 3.47Å; G29-L112 WeakPolarHBondContact CA-O 3.41Å; G29-Q123 VanDerWaalsContact CA-OE1 3.28Å
30R97.3Very high97.5Very high142 Ų14240.2 Ų40.254%0.53620%0.198SC..EExtended strand (participates in β ladder)trans-113.6137.3179.7-169.570173.3-175.4-1.3110.6I24 T26 K111 L112I24-R30 HydrophobicContact CB-CG 4.1Å; I24-R30 HydrophobicContact CG2-CB 4.31Å; I24-R30 HydrophobicContact CG2-CG 3.92Å; I24-R30 WeakPolarHBondContact O-CB 3.38Å; T26-R30 HydrophobicContact CG2-CB 4.42Å; R30-K111 CarbonylContact O-C 3.55Å; R30-K111 WeakPolarHBondContact O-CA 3.49Å; R30-L112 PolarHBondContact N-O 2.88Å; R30-L112 PolarHBondContact O-N 2.93Å
31R97.3Very high97.5Very high129 Ų12945.1 Ų45.149%0.48721%0.209SC..EExtended strand (participates in β ladder)trans-71.2143.1174.4-70.3173.7174.1-140.211.4111.3D108 V110 K111R31-D108 WeakPolarHBondContact CD-O 3.14Å; R31-D108 WeakPolarHBondContact CG-O 3.44Å; R31-D108 PolarHBondContact NE-O 3.48Å; R31-D108 PolarHBondContact NH1-O 3.01Å; R31-D108 IonicContact NH1-OD2 3.92Å; R31-D108 PolarHBondContact NH1-OD2 2.74Å; R31-V110 WeakPolarHBondContact CA-O 3.38Å; R31-K111 HydrophobicContact CG-CG 4.4Å
32M97.9Very high97.4Very high7 Ų747.5 Ų47.53%0.03422%0.221CC..  trans-66144.3173.4-66-172.9-67.600111.7M23 P34 S35 V36 M53 V110 L112 F168M23-M32 HydrophobicContact CE-CB 4.11Å; M23-M32 HydrophobicContact CE-CG 4.46Å; M23-M32 HydrophobicContact SD-CB 4.13Å; M23-M32 HydrophobicContact SD-CG 4.35Å; M32-P34 CarbonylContact C-O 3.54Å; M32-S35 PolarHBondContact O-OG 2.78Å; M32-V36 HydrophobicContact CE-CB 4.45Å; M32-V36 HydrophobicContact CE-CG2 3.87Å; M32-M53 HydrophobicContact CE-CE 3.64Å; M32-M53 HydrophobicContact CE-SD 4.07Å; M32-V110 HydrophobicContact CE-CB 4.33Å; M32-V110 HydrophobicContact CE-CG1 4.39Å; M32-L112 HydrophobicContact CG-CD1 3.68Å; M32-L112 HydrophobicContact CG-CD2 4.32Å; M32-L112 HydrophobicContact CG-CG 3.89Å; M32-L112 HydrophobicContact SD-CD1 4.18Å; M32-L112 HydrophobicContact SD-CD2 4.36Å; M32-L112 HydrophobicContact SD-CG 4.5Å; M32-F168 HydrophobicContact SD-CE1 4.25Å
33F98.2Very high97.2Very high31 Ų3147.9 Ų47.914%0.13622%0.224CC..SBendtrans-140.2121.6165-175.9-90.2000110.5L12 F16 K183 R186 N187L12-F33 HydrophobicContact CD2-CZ 4.2Å; F16-F33 HydrophobicContact CE2-CD1 4.37Å; F16-F33 AromaticContact CE2-CE1 3.94Å; F16-F33 HydrophobicContact CE2-CE1 3.94Å; F16-F33 HydrophobicContact CZ-CD1 4.22Å; F16-F33 AromaticContact CZ-CE1 3.95Å; F16-F33 HydrophobicContact CZ-CE1 3.95Å; F33-K183 HydrophobicContact CD1-CD 3.92Å; F33-K183 PolarHBondContact O-NZ 3.32Å; F33-R186 HydrophobicContact CE1-CB 4.01Å; F33-R186 VanDerWaalsContact CZ-C 3.45Å; F33-R186 HydrophobicContact CZ-CB 4Å; F33-R186 WeakPolarHBondContact CZ-O 3.4Å; F33-N187 HydrophobicContact CD1-CB 3.87Å; F33-N187 HydrophobicContact CD2-CB 3.96Å; F33-N187 HydrophobicContact CE1-CB 3.79Å; F33-N187 HydrophobicContact CE2-CB 3.88Å; F33-N187 HydrophobicContact CG-CB 3.97Å; F33-N187 VanDerWaalsContact CZ-CA 3.44Å; F33-N187 HydrophobicContact CZ-CB 3.81Å
34P98.2Very high97.1Very high7 Ų751.6 Ų51.65%0.04524%0.243CC..SBendcis-62.3159.4-2.2-1832.2000112.3L12 W13 F16 M32L12-P34 HydrophobicContact CD2-CB 4.16Å; L12-P34 HydrophobicContact CD2-CG 3.88Å; L12-P34 HydrophobicContact CG-CG 3.86Å; W13-P34 HydrophobicContact CD2-CB 4.21Å; W13-P34 HydrophobicContact CD2-CG 4.16Å; W13-P34 HydrophobicContact CG-CG 4.5Å; W13-P34 WeakPolarHBondContact CH2-O 3.38Å; W13-P34 HydrophobicContact CZ2-CB 3.98Å; W13-P34 VanDerWaalsContact CZ2-O 3.25Å; W13-P34 WeakPolarHBondContact CZ2-O 3.45Å; F16-P34 HydrophobicContact CD2-CG 3.54Å; F16-P34 HydrophobicContact CE2-CG 3.66Å; M32-P34 CarbonylContact C-O 3.54Å
35S97.6Very high97Very high29 Ų2953.4 Ų53.420%0.20326%0.257CS..PPolyproline II helixtrans-81.9142.5172.8-490000109.5M32 R37M32-S35 PolarHBondContact O-OG 2.78Å; S35-R37 PolarHBondContact O-N 2.88Å
36V98.3Very high96.8Very high1 Ų158.7 Ų58.71%0.00629%0.293CS..PPolyproline II helixtrans-68.5126.1171.3179.50000107.9W13 M32 M53 F107 P134 V136W13-V36 HydrophobicContact CH2-CG2 4.21Å; W13-V36 HydrophobicContact CZ2-CG2 3.84Å; M32-V36 HydrophobicContact CE-CB 4.45Å; M32-V36 HydrophobicContact CE-CG2 3.87Å; V36-M53 HydrophobicContact CB-SD 4Å; V36-M53 HydrophobicContact CG1-SD 4.23Å; V36-M53 HydrophobicContact CG2-SD 4.09Å; V36-F107 HydrophobicContact CB-CB 4.28Å; V36-F107 HydrophobicContact CB-CD2 4.32Å; V36-F107 HydrophobicContact CG1-CD2 4.13Å; V36-F107 WeakPolarHBondContact O-CB 3.44Å; V36-F107 PolarHBondContact O-N 2.88Å; V36-P134 HydrophobicContact CG2-CB 4Å; V36-P134 HydrophobicContact CG2-CG 4Å; V36-V136 HydrophobicContact CG1-CG2 3.99Å
37R98.3Very high96.7Very high111 Ų11158.9 Ų58.942%0.41929%0.29SS..EExtended strand (participates in β ladder)trans-140131.4-178.7-64.6178.170.8-145.22.6108.7Q8 S35 V104 I105Q8-R37 HydrophobicContact CB-CB 4.04Å; Q8-R37 PolarHBondContact N-O 2.95Å; S35-R37 PolarHBondContact O-N 2.88Å; R37-V104 HydrophobicContact CB-CG1 4.08Å; R37-I105 CarbonylContact C-O 3.49Å; R37-I105 VanDerWaalsContact CA-O 3.24Å; R37-I105 WeakPolarHBondContact CA-O 3.5Å
38V98.4Very high96.7Very high0 Ų055.3 Ų55.30%028%0.276CS..EExtended strand (participates in β ladder)trans-131.6143.3-175.8-63.60000112E6 V40 I105 V136 F163E6-V38 WeakPolarHBondContact O-CA 3.36Å; V38-V40 HydrophobicContact CG2-CG2 4.31Å; V38-I105 HydrophobicContact CG2-CB 3.99Å; V38-I105 HydrophobicContact CG2-CD1 4.45Å; V38-I105 PolarHBondContact N-O 2.96Å; V38-I105 PolarHBondContact O-N 3.29Å; V38-V136 HydrophobicContact CG1-CG2 4.16Å; V38-V136 HydrophobicContact CG2-CG1 4.24Å; V38-F163 HydrophobicContact CG1-CE2 3.83Å; V38-F163 HydrophobicContact CG1-CZ 4.25Å
39K98.3Very high96.7Very high41 Ų4152.6 Ų52.618%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-101.5120.4166-177.467.3-171.6177.90108.5A5 E6 Q8 M101 R102 Q103 V104A5-K39 CarbonylContact C-O 3.58Å; A5-K39 WeakPolarHBondContact CA-O 3.48Å; E6-K39 HydrophobicContact CB-CB 4.4Å; E6-K39 PolarHBondContact N-O 3.21Å; E6-K39 PolarHBondContact O-N 3.38Å; Q8-K39 HydrophobicContact CG-CB 4.04Å; K39-M101 WeakPolarHBondContact CE-O 3.28Å; K39-M101 PolarHBondContact NZ-O 2.81Å; K39-R102 VanDerWaalsContact NZ-C 3.31Å; K39-R102 PolarHBondContact NZ-O 3.15Å; K39-Q103 VanDerWaalsContact CD-O 3.23Å; K39-Q103 WeakPolarHBondContact CD-O 3.27Å; K39-Q103 PolarHBondContact NZ-O 2.91Å; K39-V104 HydrophobicContact CB-CG2 4.42Å; K39-V104 HydrophobicContact CD-CG2 4.08Å
40V97.7Very high96.6Very high1 Ų153.3 Ų53.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-95.6145.9178.9-179.30000110.2V3 R4 V38 L43 I105 I138V3-V40 HydrophobicContact CG1-CG1 4.38Å; R4-V40 CarbonylContact O-C 3.56Å; R4-V40 WeakPolarHBondContact O-CA 3.24Å; V38-V40 HydrophobicContact CG2-CG2 4.31Å; V40-L43 HydrophobicContact CG1-CD1 3.77Å; V40-L43 HydrophobicContact CG1-CD2 4.11Å; V40-L43 HydrophobicContact CG1-CG 3.72Å; V40-I105 HydrophobicContact CG2-CD1 3.66Å; V40-I138 HydrophobicContact CB-CD1 4.27Å; V40-I138 HydrophobicContact CG1-CD1 3.58Å; V40-I138 HydrophobicContact CG2-CD1 3.6Å
41R97Very high96.5Very high126 Ų12646.6 Ų46.648%0.47523%0.225SC..EExtended strand (participates in β ladder)trans-139.2162.5173.9-50.8-170.4-163.4-140.67.1110.9R4 E6 L43R4-R41 PolarHBondContact N-O 3.12Å; R4-R41 PolarHBondContact O-N 3.25Å; E6-R41 VanDerWaalsContact CD-NE 3.32Å; E6-R41 VanDerWaalsContact CD-NH2 3.34Å; E6-R41 IonicContact OE1-CZ 3.38Å; E6-R41 VanDerWaalsContact OE1-CZ 3.22Å; E6-R41 IonicContact OE1-NE 3.77Å; E6-R41 PolarHBondContact OE1-NE 2.89Å; E6-R41 IonicContact OE1-NH2 3.61Å; E6-R41 PolarHBondContact OE1-NH2 3.11Å; E6-R41 VanDerWaalsContact OE1-NH2 3.12Å; E6-R41 IonicContact OE2-CZ 3.51Å; E6-R41 IonicContact OE2-NE 2.67Å; E6-R41 PolarHBondContact OE2-NE 2.8Å; E6-R41 IonicContact OE2-NH2 3.12Å; E6-R41 PolarHBondContact OE2-NH2 3.04Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.14Å
42N96.6Very high96.3Very high53 Ų5340.4 Ų40.428%0.28320%0.202SC..SBendtrans63.224.8175.4-58.6-24.5000116.2R1 E2 M101R1-N42 HydrophobicContact CB-CB 4.13Å; E2-N42 WeakPolarHBondContact O-CB 3.35Å; E2-N42 PolarHBondContact O-ND2 3.26Å; N42-M101 PolarHBondContact N-SD 2.97Å
43L95.9Very high96.2Very high9 Ų940.1 Ų40.15%0.04720%0.2CC..  trans-71.2158.8161.5-58.9-179.1000110.3V3 V40 R41 Y49 W100 M101 I138V3-L43 HydrophobicContact CB-CD2 4.44Å; V3-L43 HydrophobicContact CG1-CD2 3.53Å; V3-L43 HydrophobicContact CG2-CD2 3.98Å; V40-L43 HydrophobicContact CG1-CD1 3.77Å; V40-L43 HydrophobicContact CG1-CD2 4.11Å; V40-L43 HydrophobicContact CG1-CG 3.72Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.14Å; L43-Y49 HydrophobicContact CB-CD2 4.39Å; L43-Y49 HydrophobicContact CB-CE2 3.78Å; L43-Y49 HydrophobicContact CD1-CD2 3.97Å; L43-Y49 HydrophobicContact CD1-CE2 4.2Å; L43-Y49 HydrophobicContact CD1-CG 4.34Å; L43-Y49 HydrophobicContact CD2-CD1 4.25Å; L43-Y49 HydrophobicContact CD2-CD2 4.43Å; L43-Y49 HydrophobicContact CD2-CE1 3.99Å; L43-Y49 HydrophobicContact CD2-CE2 4.17Å; L43-Y49 HydrophobicContact CD2-CG 4.46Å; L43-Y49 HydrophobicContact CG-CD2 4.5Å; L43-Y49 HydrophobicContact CG-CE2 4.26Å; L43-W100 HydrophobicContact CD1-CB 3.84Å; L43-W100 HydrophobicContact CD1-CG 4.45Å; L43-M101 HydrophobicContact CB-CE 4.01Å; L43-M101 HydrophobicContact CB-CG 4.23Å; L43-M101 HydrophobicContact CB-SD 3.98Å; L43-M101 HydrophobicContact CD1-CG 4.33Å; L43-M101 HydrophobicContact CG-CG 4.26Å; L43-M101 HydrophobicContact CG-SD 4.47Å; L43-M101 PolarHBondContact N-SD 2.85Å; L43-M101 VanDerWaalsContact O-CE 3.24Å; L43-M101 WeakPolarHBondContact O-CE 3.33Å; L43-I138 HydrophobicContact CD2-CG2 3.94Å
44D95.4Very high96Very high81 Ų8139 Ų3943%0.43320%0.196SC..  trans-70.5127.4163.6-178.9-58.3000108.6C46 Q47 Y49 G97D44-C46 VanDerWaalsContact C-N 3.29Å; D44-C46 PolarHBondContact O-N 3.26Å; D44-C46 WeakPolarHBondContact OD1-CA 3.48Å; D44-C46 WeakPolarHBondContact OD1-CB 3.36Å; D44-C46 PolarHBondContact OD1-N 3.09Å; D44-Q47 HydrophobicContact CB-CB 3.8Å; D44-Q47 PolarHBondContact OD1-N 3.3Å; D44-Y49 PolarHBondContact N-OH 2.9Å; D44-G97 WeakPolarHBondContact O-CA 3.41Å
45P96.2Very high95.9Very high66 Ų6639.1 Ų39.143%0.42920%0.196SC..SBendtrans-60.5-35.3-177.9-26.136000114.4E98 M101P45-E98 HydrophobicContact CB-CB 4.01Å; P45-E98 HydrophobicContact CB-CG 4.33Å; P45-E98 PolarHBondContact O-N 2.88Å; P45-M101 HydrophobicContact CG-CE 4.4Å
46C95Very high95.7Very high113 Ų11340.8 Ų40.876%0.76420%0.202SC*.SBendtrans-87.9-32.2-172.1-62.10000112.3D44D44-C46 VanDerWaalsContact C-N 3.29Å; D44-C46 PolarHBondContact O-N 3.26Å; D44-C46 WeakPolarHBondContact OD1-CA 3.48Å; D44-C46 WeakPolarHBondContact OD1-CB 3.36Å; D44-C46 PolarHBondContact OD1-N 3.09Å
47Q93.5Very high95.5Very high54 Ų5443 Ų4325%0.25222%0.216SC..SBendtrans-65.4143.6177179.357.76400111.7D44 Y49 T96 G97 Q140 H141D44-Q47 HydrophobicContact CB-CB 3.8Å; D44-Q47 PolarHBondContact OD1-N 3.3Å; Q47-Y49 HydrophobicContact CB-CE2 3.75Å; Q47-Y49 HydrophobicContact CG-CD2 4.34Å; Q47-Y49 HydrophobicContact CG-CE1 4.2Å; Q47-Y49 HydrophobicContact CG-CE2 3.71Å; Q47-Y49 WeakPolarHBondContact O-CD2 3.39Å; Q47-Y49 WeakPolarHBondContact O-CE2 3.17Å; Q47-T96 CarbonylContact O-C 3.53Å; Q47-T96 WeakPolarHBondContact O-CA 3.49Å; Q47-G97 PolarHBondContact O-N 2.85Å; Q47-Q140 VanDerWaalsContact CD-NE2 3.32Å; Q47-Q140 HydrophobicContact CG-CG 3.77Å; Q47-H141 PolarHBondContact NE2-O 2.98Å
48Q93.8Very high95.4Very high80 Ų8040.3 Ų40.337%0.37421%0.212SC..EExtended strand (participates in β ladder)trans-87.5144.7170.6-71.6-179.1-7.800111.9C95 T96 H141Q48-C95 WeakPolarHBondContact CA-O 3.5Å; Q48-T96 HydrophobicContact CG-CG2 4.35Å; Q48-H141 HydrophobicContact CB-CB 3.83Å; Q48-H141 WeakPolarHBondContact O-CB 3.35Å; Q48-H141 PolarHBondContact O-N 3.29Å; Q48-H141 PolarHBondContact OE1-CE1 3.22Å; Q48-H141 PolarHBondContact OE1-ND1 3.2Å
49Y93.9Very high95.2Very high13 Ų1342 Ų425%0.05122%0.221CC..EExtended strand (participates in β ladder)trans-136.3147.3177.1-59.5-92.8000110.4L43 D44 Q47 C95 W100 I138 I139 Q140L43-Y49 HydrophobicContact CB-CD2 4.39Å; L43-Y49 HydrophobicContact CB-CE2 3.78Å; L43-Y49 HydrophobicContact CD1-CD2 3.97Å; L43-Y49 HydrophobicContact CD1-CE2 4.2Å; L43-Y49 HydrophobicContact CD1-CG 4.34Å; L43-Y49 HydrophobicContact CD2-CD1 4.25Å; L43-Y49 HydrophobicContact CD2-CD2 4.43Å; L43-Y49 HydrophobicContact CD2-CE1 3.99Å; L43-Y49 HydrophobicContact CD2-CE2 4.17Å; L43-Y49 HydrophobicContact CD2-CG 4.46Å; L43-Y49 HydrophobicContact CG-CD2 4.5Å; L43-Y49 HydrophobicContact CG-CE2 4.26Å; D44-Y49 PolarHBondContact N-OH 2.9Å; Q47-Y49 HydrophobicContact CB-CE2 3.75Å; Q47-Y49 HydrophobicContact CG-CD2 4.34Å; Q47-Y49 HydrophobicContact CG-CE1 4.2Å; Q47-Y49 HydrophobicContact CG-CE2 3.71Å; Q47-Y49 WeakPolarHBondContact O-CD2 3.39Å; Q47-Y49 WeakPolarHBondContact O-CE2 3.17Å; Y49-C95 PolarHBondContact N-O 3.37Å; Y49-C95 PolarHBondContact O-N 3.12Å; Y49-W100 PolarHBondContact O-NE1 3.48Å; Y49-I138 HydrophobicContact CD1-CG2 3.98Å; Y49-I138 HydrophobicContact CG-CG2 4.29Å; Y49-I139 CarbonylContact C-O 3.51Å; Y49-I139 VanDerWaalsContact CA-O 3.25Å; Y49-I139 WeakPolarHBondContact CA-O 3.46Å; Y49-Q140 HydrophobicContact CD1-CB 4.12Å; Y49-Q140 HydrophobicContact CE1-CB 4.02Å; Y49-Q140 HydrophobicContact CE1-CG 4.2Å
50Y93.6Very high95Very high26 Ų2643.4 Ų43.410%0.10224%0.236CC..EExtended strand (participates in β ladder)trans-95.5144.8160.4-64.2-106.5000109.1V89 P94 I139 H141 L147Y50-V89 HydrophobicContact CD1-CG1 4.33Å; Y50-P94 HydrophobicContact CD1-CB 4.13Å; Y50-P94 HydrophobicContact CD2-CB 4.02Å; Y50-P94 HydrophobicContact CE1-CB 3.9Å; Y50-P94 HydrophobicContact CE1-CG 4Å; Y50-P94 HydrophobicContact CE2-CB 3.8Å; Y50-P94 HydrophobicContact CE2-CG 4.32Å; Y50-P94 HydrophobicContact CG-CB 4.18Å; Y50-I139 PolarHBondContact N-O 3.39Å; Y50-I139 PolarHBondContact O-N 3.11Å; Y50-H141 HydrophobicContact CD2-CB 4.12Å; Y50-H141 HydrophobicContact CE2-CB 3.89Å; Y50-H141 AromaticContact CE2-CD2 3.63Å; Y50-H141 AromaticContact CE2-CG 3.75Å; Y50-L147 HydrophobicContact CD1-CB 4.23Å; Y50-L147 HydrophobicContact CD1-CD1 3.7Å; Y50-L147 HydrophobicContact CD1-CG 4.15Å; Y50-L147 HydrophobicContact CD2-CD1 3.4Å; Y50-L147 VanDerWaalsContact CD2-CD1 3.4Å; Y50-L147 HydrophobicContact CD2-CG 3.79Å; Y50-L147 HydrophobicContact CE1-CB 3.97Å; Y50-L147 HydrophobicContact CE1-CD1 4.16Å; Y50-L147 HydrophobicContact CE1-CG 4.08Å; Y50-L147 HydrophobicContact CE2-CB 4.44Å; Y50-L147 HydrophobicContact CE2-CD1 3.89Å; Y50-L147 HydrophobicContact CE2-CG 3.71Å; Y50-L147 HydrophobicContact CG-CD1 3.3Å; Y50-L147 HydrophobicContact CG-CG 4.02Å
51V95.2Very high94.9Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-120.4125.2173.6176.90000108.5H90 S93 W100 I105 F107 V136 H137 I138V51-H90 WeakPolarHBondContact O-CB 3.16Å; V51-H90 PolarHBondContact O-N 2.8Å; V51-S93 PolarHBondContact N-OG 2.89Å; V51-S93 PolarHBondContact O-OG 3.26Å; V51-W100 HydrophobicContact CB-CE3 4.49Å; V51-W100 HydrophobicContact CB-CH2 3.88Å; V51-W100 HydrophobicContact CB-CZ2 3.89Å; V51-W100 HydrophobicContact CB-CZ3 4.2Å; V51-W100 HydrophobicContact CG2-CD2 3.73Å; V51-W100 HydrophobicContact CG2-CE3 4.08Å; V51-W100 HydrophobicContact CG2-CG 4.2Å; V51-W100 HydrophobicContact CG2-CH2 4.14Å; V51-W100 HydrophobicContact CG2-CZ2 3.79Å; V51-W100 HydrophobicContact CG2-CZ3 4.28Å; V51-I105 HydrophobicContact CB-CD1 4.4Å; V51-I105 HydrophobicContact CG1-CD1 3.97Å; V51-I105 HydrophobicContact CG1-CG2 4.1Å; V51-I105 HydrophobicContact CG2-CD1 4.02Å; V51-F107 HydrophobicContact CG1-CZ 3.93Å; V51-V136 HydrophobicContact CG1-CG1 4.13Å; V51-H137 WeakPolarHBondContact CA-O 2.94Å; V51-I138 HydrophobicContact CG2-CG1 4.45Å; V51-I138 HydrophobicContact CG2-CG2 4.24Å
52A94.3Very high94.8Very high0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-136.1167.1-174.300000111L87 Y88 V89 V136 H137A52-L87 HydrophobicContact CB-CD1 3.64Å; A52-L87 HydrophobicContact CB-CD2 4.25Å; A52-L87 HydrophobicContact CB-CG 3.9Å; A52-Y88 CarbonylContact C-O 3.59Å; A52-Y88 WeakPolarHBondContact CA-O 3.41Å; A52-Y88 WeakPolarHBondContact CB-O 3.33Å; A52-V89 HydrophobicContact CB-CG2 4.38Å; A52-V136 CarbonylContact O-C 3.42Å; A52-V136 WeakPolarHBondContact O-CA 3.49Å; A52-H137 PolarHBondContact N-O 3.29Å; A52-H137 PolarHBondContact O-N 2.77Å
53M95.2Very high94.9Very high0 Ų046.2 Ų46.20%025%0.245CC..EExtended strand (participates in β ladder)trans-140.6132.4177.7-170.8-165.478.600110.5M32 V36 V55 Y88 F107 V110 I124 P134 R135 V136M32-M53 HydrophobicContact CE-CE 3.64Å; M32-M53 HydrophobicContact CE-SD 4.07Å; V36-M53 HydrophobicContact CB-SD 4Å; V36-M53 HydrophobicContact CG1-SD 4.23Å; V36-M53 HydrophobicContact CG2-SD 4.09Å; M53-V55 HydrophobicContact CE-CG2 4.19Å; M53-Y88 PolarHBondContact N-O 3.21Å; M53-Y88 PolarHBondContact O-N 3.24Å; M53-F107 HydrophobicContact CB-CD1 3.79Å; M53-F107 HydrophobicContact CB-CD2 4.47Å; M53-F107 HydrophobicContact CB-CE1 3.53Å; M53-F107 HydrophobicContact CB-CE2 4.24Å; M53-F107 HydrophobicContact CB-CG 4.25Å; M53-F107 HydrophobicContact CB-CZ 3.76Å; M53-F107 HydrophobicContact SD-CB 3.94Å; M53-F107 HydrophobicContact SD-CD1 4.19Å; M53-F107 HydrophobicContact SD-CD2 4.1Å; M53-F107 HydrophobicContact SD-CG 3.82Å; M53-V110 HydrophobicContact CE-CB 4.25Å; M53-V110 HydrophobicContact CE-CG1 3.8Å; M53-V110 HydrophobicContact CE-CG2 3.94Å; M53-I124 HydrophobicContact CE-CD1 3.86Å; M53-P134 HydrophobicContact SD-CB 4.32Å; M53-R135 CarbonylContact C-O 3.54Å; M53-R135 WeakPolarHBondContact CA-O 3.49Å; M53-R135 WeakPolarHBondContact CG-O 3.27Å; M53-V136 HydrophobicContact CG-CG2 4.2Å
54D93.9Very high95Very high9 Ų951.6 Ų51.65%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-112.8175.2166.187.68.8000111.4L87 P134 R135 H137D54-L87 HydrophobicContact CB-CD1 4.22Å; D54-P134 WeakPolarHBondContact O-CA 3.43Å; D54-R135 PolarHBondContact N-O 2.67Å; D54-R135 PolarHBondContact O-N 2.83Å; D54-R135 WeakPolarHBondContact OD1-CB 3.29Å; D54-R135 IonicContact OD1-CZ 3.12Å; D54-R135 IonicContact OD1-NE 3.6Å; D54-R135 PolarHBondContact OD1-NE 2.92Å; D54-R135 IonicContact OD1-NH2 2.77Å; D54-R135 IonicContact OD2-CZ 3.22Å; D54-R135 IonicContact OD2-NE 2.72Å; D54-R135 PolarHBondContact OD2-NE 3.35Å; D54-R135 IonicContact OD2-NH2 2.67Å; D54-R135 PolarHBondContact OD2-NH2 2.69Å; D54-H137 VanDerWaalsContact CG-NE2 3.29Å; D54-H137 IonicContact OD1-NE2 2.73Å; D54-H137 PolarHBondContact OD1-NE2 2.97Å; D54-H137 IonicContact OD2-NE2 3.43Å
55V95.4Very high95.1Very high9 Ų948.6 Ų48.66%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-135.1106.1176.3176.60000107.6M53 I124 L126 Y132 F168M53-V55 HydrophobicContact CE-CG2 4.19Å; V55-I124 HydrophobicContact CB-CG2 4.09Å; V55-I124 HydrophobicContact CG2-CD1 3.79Å; V55-I124 HydrophobicContact CG2-CG2 4.25Å; V55-L126 HydrophobicContact CB-CD2 4.2Å; V55-L126 HydrophobicContact CG1-CD1 4.08Å; V55-L126 HydrophobicContact CG1-CD2 3.76Å; V55-Y132 HydrophobicContact CG1-CD1 4.03Å; V55-Y132 HydrophobicContact CG1-CG 4.02Å; V55-F168 HydrophobicContact CG1-CZ 4.03Å
56M93.6Very high95.2Very high63 Ų6345.8 Ų45.831%0.3123%0.229SC..EExtended strand (participates in β ladder)trans-91.7147.9-179.270.4176.9-68.500111.5Y132 K133 R135M56-Y132 CarbonylContact O-C 3.52Å; M56-Y132 VanDerWaalsContact O-CA 3.26Å; M56-Y132 WeakPolarHBondContact O-CA 3.44Å; M56-K133 HydrophobicContact CG-CB 4.2Å; M56-K133 PolarHBondContact N-O 3.49Å; M56-K133 PolarHBondContact O-N 3.47Å; M56-R135 HydrophobicContact CG-CG 4.32Å; M56-R135 VanDerWaalsContact SD-CD 3.55Å; M56-R135 HydrophobicContact SD-CG 4.14Å
57P94.9Very high95.2Very high49 Ų4947 Ų4732%0.31822%0.218SC..EExtended strand (participates in β ladder)trans-64.7146.9168.528.4-34.1000110.7H80 K131 Y132P57-H80 HydrophobicContact CG-CB 4.37Å; P57-K131 WeakPolarHBondContact CA-O 3.44Å; P57-Y132 HydrophobicContact CB-CD1 4.18Å; P57-Y132 HydrophobicContact CB-CE1 4.04Å
58V95.4Very high95.3Very high54 Ų5452.7 Ų52.733%0.32725%0.245SC..SBendtrans-88-37.1176.5174.80000111.2K131 K133 E167V58-K131 HydrophobicContact CB-CB 3.9Å; V58-K131 HydrophobicContact CG2-CB 4.25Å; V58-K131 PolarHBondContact N-O 2.93Å; V58-K133 HydrophobicContact CG2-CB 3.98Å; V58-E167 HydrophobicContact CG2-CG 4.16Å
59D94.4Very high95.3Very high35 Ų3551 Ų5119%0.18724%0.242CC..  trans-149170.4173.861.925.3000111.1K61 Y63 H80D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 HydrophobicContact CB-CD 4.49Å; D59-K61 HydrophobicContact CB-CG 4.37Å; D59-K61 PolarHBondContact O-N 3.19Å; D59-K61 WeakPolarHBondContact OD1-CB 3.42Å; D59-K61 PolarHBondContact OD1-N 3.45Å; D59-Y63 WeakPolarHBondContact OD1-CE2 3.47Å; D59-Y63 PolarHBondContact OD2-OH 3.41Å; D59-H80 PolarHBondContact O-NE2 2.94Å
60S94Very high95.4Very high70 Ų7054.1 Ų54.149%0.4927%0.265SS..SBendtrans-90.642.6177.1-49.80000112N77 T78S60-N77 WeakPolarHBondContact O-CA 3.35Å; S60-T78 CarbonylContact C-O 3.59Å; S60-T78 WeakPolarHBondContact CB-O 3.43Å; S60-T78 PolarHBondContact O-N 3.08Å
61K95.1Very high95.4Very high85 Ų8558.4 Ų58.437%0.3729%0.286SS..EExtended strand (participates in β ladder)trans-125.8131.4-172.7-58.1176.2-170.5159.20112.3D59 Y63 V74 H130D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 HydrophobicContact CB-CD 4.49Å; D59-K61 HydrophobicContact CB-CG 4.37Å; D59-K61 PolarHBondContact O-N 3.19Å; D59-K61 WeakPolarHBondContact OD1-CB 3.42Å; D59-K61 PolarHBondContact OD1-N 3.45Å; K61-Y63 HydrophobicContact CB-CD2 4.47Å; K61-Y63 HydrophobicContact CB-CE2 3.88Å; K61-Y63 VanDerWaalsContact O-CD2 3.24Å; K61-Y63 WeakPolarHBondContact O-CD2 3.5Å; K61-Y63 WeakPolarHBondContact O-CE2 3.37Å; K61-V74 HydrophobicContact CB-CG1 4.3Å; K61-V74 HydrophobicContact CD-CG1 4.34Å; K61-V74 HydrophobicContact CD-CG2 3.93Å; K61-H130 PolarHBondContact O-CD2 3.05Å
62R96.3Very high95.5Very high137 Ų13761 Ų6152%0.51730%0.296SS..EExtended strand (participates in β ladder)trans-83.9134167-170.9173.5174.9-168.4-2.4109.5A75 G76 M129 H130R62-A75 PolarHBondContact O-N 3.33Å; R62-G76 PolarHBondContact N-O 3.34Å; R62-G76 PolarHBondContact O-N 2.84Å; R62-M129 HydrophobicContact CG-CB 4.37Å; R62-H130 WeakPolarHBondContact CA-NE2 3.25Å; R62-H130 WeakPolarHBondContact CB-NE2 3.24Å
63Y97.7Very high95.6Very high17 Ų1764.7 Ų64.77%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-105.6162.8-178.3-73.5-93.7000112.5D59 K61 M73 V74 M129 K131D59-Y63 WeakPolarHBondContact OD1-CE2 3.47Å; D59-Y63 PolarHBondContact OD2-OH 3.41Å; K61-Y63 HydrophobicContact CB-CD2 4.47Å; K61-Y63 HydrophobicContact CB-CE2 3.88Å; K61-Y63 VanDerWaalsContact O-CD2 3.24Å; K61-Y63 WeakPolarHBondContact O-CD2 3.5Å; K61-Y63 WeakPolarHBondContact O-CE2 3.37Å; Y63-M73 CarbonylContact C-O 3.52Å; Y63-M73 WeakPolarHBondContact CA-O 3.47Å; Y63-V74 HydrophobicContact CE1-CG2 4.04Å; Y63-M129 PolarHBondContact N-O 2.7Å; Y63-M129 WeakPolarHBondContact O-CB 3.45Å; Y63-K131 HydrophobicContact CD2-CD 4.46Å; Y63-K131 HydrophobicContact CD2-CG 4.15Å; Y63-K131 HydrophobicContact CE1-CD 4.39Å; Y63-K131 HydrophobicContact CE2-CB 4.41Å; Y63-K131 HydrophobicContact CE2-CD 3.7Å; Y63-K131 HydrophobicContact CE2-CG 3.77Å; Y63-K131 VanDerWaalsContact CZ-NZ 3.34Å; Y63-K131 WeakPolarHBondContact OH-CE 3.41Å; Y63-K131 PolarHBondContact OH-NZ 2.93Å
64R97.7Very high95.7Very high123 Ų12368.1 Ų68.146%0.46434%0.335SS..EExtended strand (participates in β ladder)trans-136.7144.9164.765.6-175.7-177104.1-9.5109.8M73 A75R64-M73 PolarHBondContact N-O 3.18Å; R64-M73 VanDerWaalsContact NH2-CE 3.29Å; R64-M73 PolarHBondContact O-N 2.78Å; R64-A75 HydrophobicContact CB-CB 4.07Å; R64-A75 HydrophobicContact CG-CB 4.05Å
65Y98.2Very high95.8Very high18 Ų1870.4 Ų70.47%0.07136%0.355CS..EExtended strand (participates in β ladder)trans-87143.9170.3-164.7-112.5000110.2Y67 S70 Q71 W72 Q175 N176Y65-Y67 AromaticContact CD1-CD1 3.91Å; Y65-Y67 HydrophobicContact CD1-CD1 3.91Å; Y65-Y67 HydrophobicContact CD1-CD2 4.3Å; Y65-Y67 AromaticContact CD1-CE1 3.83Å; Y65-Y67 HydrophobicContact CD1-CE1 3.83Å; Y65-Y67 HydrophobicContact CD1-CE2 4.2Å; Y65-Y67 HydrophobicContact CD1-CG 4.14Å; Y65-Y67 AromaticContact CD1-CZ 3.97Å; Y65-Y67 HydrophobicContact CE1-CD1 4.03Å; Y65-Y67 HydrophobicContact CE1-CE1 4.2Å; Y65-Y67 HydrophobicContact CE1-CG 4.47Å; Y65-S70 WeakPolarHBondContact CE2-O 3.46Å; Y65-S70 VanDerWaalsContact CZ-C 3.47Å; Y65-S70 VanDerWaalsContact OH-C 3.24Å; Y65-S70 VanDerWaalsContact OH-CA 3.26Å; Y65-S70 WeakPolarHBondContact OH-CA 3.08Å; Y65-S70 WeakPolarHBondContact OH-CB 3.16Å; Y65-S70 PolarHBondContact OH-O 2.83Å; Y65-Q71 WeakPolarHBondContact CD2-O 3.4Å; Y65-W72 AromaticContact CD2-CD1 3.93Å; Y65-W72 AromaticContact CD2-CD2 3.82Å; Y65-W72 HydrophobicContact CD2-CD2 3.82Å; Y65-W72 AromaticContact CD2-CE2 3.74Å; Y65-W72 HydrophobicContact CD2-CE3 4.39Å; Y65-W72 AromaticContact CD2-CG 3.97Å; Y65-W72 HydrophobicContact CD2-CG 3.97Å; Y65-W72 HydrophobicContact CD2-CZ2 4.29Å; Y65-W72 AromaticContact CD2-NE1 3.78Å; Y65-Q175 HydrophobicContact CD1-CB 3.74Å; Y65-Q175 HydrophobicContact CD2-CB 4.32Å; Y65-Q175 HydrophobicContact CE1-CB 4.44Å; Y65-Q175 HydrophobicContact CG-CB 3.65Å; Y65-N176 HydrophobicContact CE2-CB 4.19Å
66V97.7Very high95.8Very high7 Ų771.2 Ų71.24%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-120.395.6-176.7-176.40000108.2H68 S69 S70 Q71 M73V66-H68 VanDerWaalsContact CG1-CE1 3.41Å; V66-H68 WeakPolarHBondContact CG1-CE1 3.48Å; V66-H68 VanDerWaalsContact CG1-NE2 3.28Å; V66-H68 WeakPolarHBondContact CG1-NE2 3.38Å; V66-H68 PolarHBondContact O-N 2.93Å; V66-S69 WeakPolarHBondContact CG1-OG 3.09Å; V66-S69 CarbonylContact O-C 3.57Å; V66-S69 PolarHBondContact O-N 2.92Å; V66-S70 WeakPolarHBondContact O-CA 3.44Å; V66-S70 PolarHBondContact O-N 3.42Å; V66-Q71 WeakPolarHBondContact CB-O 3.34Å; V66-Q71 PolarHBondContact N-O 2.93Å; V66-Q71 PolarHBondContact O-N 2.81Å; V66-M73 HydrophobicContact CG2-CB 4.2Å; V66-M73 HydrophobicContact CG2-CE 3.97Å; V66-M73 HydrophobicContact CG2-CG 3.74Å; V66-M73 HydrophobicContact CG2-SD 4.2Å
67Y95.8Very high95.7Very high137 Ų13774.8 Ų74.854%0.53739%0.386SS..G310 helixtrans-58.5-41.5-169.5-68-88.7000113.7Y65 S69 S70 Q175Y65-Y67 AromaticContact CD1-CD1 3.91Å; Y65-Y67 HydrophobicContact CD1-CD1 3.91Å; Y65-Y67 HydrophobicContact CD1-CD2 4.3Å; Y65-Y67 AromaticContact CD1-CE1 3.83Å; Y65-Y67 HydrophobicContact CD1-CE1 3.83Å; Y65-Y67 HydrophobicContact CD1-CE2 4.2Å; Y65-Y67 HydrophobicContact CD1-CG 4.14Å; Y65-Y67 AromaticContact CD1-CZ 3.97Å; Y65-Y67 HydrophobicContact CE1-CD1 4.03Å; Y65-Y67 HydrophobicContact CE1-CE1 4.2Å; Y65-Y67 HydrophobicContact CE1-CG 4.47Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.25Å; Y67-S70 PolarHBondContact O-N 2.85Å; Y67-Q175 VanDerWaalsContact OH-CD 3.22Å; Y67-Q175 PolarHBondContact OH-OE1 2.81Å
68H95Very high95.3Very high175 Ų17574.2 Ų74.281%0.8138%0.382SS*.G310 helixtrans-70.5-17-177.764.471.9000114.5V66V66-H68 VanDerWaalsContact CG1-CE1 3.41Å; V66-H68 WeakPolarHBondContact CG1-CE1 3.48Å; V66-H68 VanDerWaalsContact CG1-NE2 3.28Å; V66-H68 WeakPolarHBondContact CG1-NE2 3.38Å; V66-H68 PolarHBondContact O-N 2.93Å
69S94.4Very high94.6Very high44 Ų4476.8 Ų76.831%0.30839%0.394SS..G310 helixtrans-114.72.3171.560.20000113.1V66 Y67 Q71V66-S69 WeakPolarHBondContact CG1-OG 3.09Å; V66-S69 CarbonylContact O-C 3.57Å; V66-S69 PolarHBondContact O-N 2.92Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.25Å; S69-Q71 WeakPolarHBondContact O-CG 3.37Å; S69-Q71 PolarHBondContact O-N 3.08Å
70S94.8Very high93.7Very high78 Ų7876.2 Ų76.255%0.54539%0.39SS..THydrogen-bonded Turntrans52.429.3-175.5-61.20000115Y65 V66 Y67Y65-S70 WeakPolarHBondContact CE2-O 3.46Å; Y65-S70 VanDerWaalsContact CZ-C 3.47Å; Y65-S70 VanDerWaalsContact OH-C 3.24Å; Y65-S70 VanDerWaalsContact OH-CA 3.26Å; Y65-S70 WeakPolarHBondContact OH-CA 3.08Å; Y65-S70 WeakPolarHBondContact OH-CB 3.16Å; Y65-S70 PolarHBondContact OH-O 2.83Å; V66-S70 WeakPolarHBondContact O-CA 3.44Å; V66-S70 PolarHBondContact O-N 3.42Å; Y67-S70 PolarHBondContact O-N 2.85Å
71Q95.2Very high92.6Very high117 Ų11777.4 Ų77.455%0.54740%0.398SS..EExtended strand (participates in β ladder)trans-118.7149.7-169.8-81.1168.6-3.400114.2Y65 V66 S69Y65-Q71 WeakPolarHBondContact CD2-O 3.4Å; V66-Q71 WeakPolarHBondContact CB-O 3.34Å; V66-Q71 PolarHBondContact N-O 2.93Å; V66-Q71 PolarHBondContact O-N 2.81Å; S69-Q71 WeakPolarHBondContact O-CG 3.37Å; S69-Q71 PolarHBondContact O-N 3.08Å
72W96.9Very high91.1Very high53 Ų5377.5 Ų77.520%0.20141%0.408CS..EExtended strand (participates in β ladder)trans-85.2124.3167.7-75.4103.1000110.7E22 Y65 M129 T169 V171 Q175E22-W72 HydrophobicContact CG-CZ2 4.06Å; Y65-W72 AromaticContact CD2-CD1 3.93Å; Y65-W72 AromaticContact CD2-CD2 3.82Å; Y65-W72 HydrophobicContact CD2-CD2 3.82Å; Y65-W72 AromaticContact CD2-CE2 3.74Å; Y65-W72 HydrophobicContact CD2-CE3 4.39Å; Y65-W72 AromaticContact CD2-CG 3.97Å; Y65-W72 HydrophobicContact CD2-CG 3.97Å; Y65-W72 HydrophobicContact CD2-CZ2 4.29Å; Y65-W72 AromaticContact CD2-NE1 3.78Å; W72-M129 HydrophobicContact CH2-CE 3.97Å; W72-M129 HydrophobicContact CZ3-CE 3.68Å; W72-T169 HydrophobicContact CE3-CG2 4.42Å; W72-T169 HydrophobicContact CH2-CG2 3.68Å; W72-T169 HydrophobicContact CZ2-CG2 4.03Å; W72-T169 HydrophobicContact CZ3-CG2 3.89Å; W72-V171 HydrophobicContact CH2-CG1 3.84Å; W72-V171 HydrophobicContact CZ2-CG1 4.28Å; W72-Q175 HydrophobicContact CH2-CB 4.3Å; W72-Q175 HydrophobicContact CH2-CG 3.76Å; W72-Q175 HydrophobicContact CZ2-CB 4.15Å; W72-Q175 HydrophobicContact CZ2-CG 4.08Å
73M96.8Very high89.9Confident78 Ų7872.3 Ų72.338%0.38439%0.391SS..EExtended strand (participates in β ladder)trans-120.3155.2173.6-57.7-153.5-39.100111.4Y63 R64 V66Y63-M73 CarbonylContact C-O 3.52Å; Y63-M73 WeakPolarHBondContact CA-O 3.47Å; R64-M73 PolarHBondContact N-O 3.18Å; R64-M73 VanDerWaalsContact NH2-CE 3.29Å; R64-M73 PolarHBondContact O-N 2.78Å; V66-M73 HydrophobicContact CG2-CB 4.2Å; V66-M73 HydrophobicContact CG2-CE 3.97Å; V66-M73 HydrophobicContact CG2-CG 3.74Å; V66-M73 HydrophobicContact CG2-SD 4.2Å
74V97.4Very high88.6Confident72 Ų7276 Ų7644%0.43642%0.419SS..EExtended strand (participates in β ladder)trans-68.7133.6171.4-178.60000108.9K61 Y63K61-V74 HydrophobicContact CB-CG1 4.3Å; K61-V74 HydrophobicContact CD-CG1 4.34Å; K61-V74 HydrophobicContact CD-CG2 3.93Å; Y63-V74 HydrophobicContact CE1-CG2 4.04Å
75A95.6Very high87.5Confident57 Ų5774.7 Ų74.747%0.47143%0.427SS..EExtended strand (participates in β ladder)trans-104.5-23.3175.800000112.5R62 R64R62-A75 PolarHBondContact O-N 3.33Å; R64-A75 HydrophobicContact CB-CB 4.07Å; R64-A75 HydrophobicContact CG-CB 4.05Å
76G94.4Very high86.9Confident27 Ų2777 Ų7728%0.27844%0.435SS..EExtended strand (participates in β ladder)trans169179.9175.100000111.7R62R62-G76 PolarHBondContact N-O 3.34Å; R62-G76 PolarHBondContact O-N 2.84Å
77N92.2Very high86.5Confident137 Ų13778.6 Ų78.673%0.73344%0.443SS*.EExtended strand (participates in β ladder)trans-84.6157.7171.6-65.960.7000110.3S60S60-N77 WeakPolarHBondContact O-CA 3.35Å
78T87.3Confident86.3Confident38 Ų3873.5 Ų73.523%0.23342%0.423CS..  trans-149.4137.7173-71.30000109.2S60 H130S60-T78 CarbonylContact C-O 3.59Å; S60-T78 WeakPolarHBondContact CB-O 3.43Å; S60-T78 PolarHBondContact O-N 3.08Å; T78-H130 VanDerWaalsContact CB-NE2 3.3Å; T78-H130 WeakPolarHBondContact CB-NE2 3.46Å; T78-H130 WeakPolarHBondContact CG2-NE2 3.45Å; T78-H130 PolarHBondContact OG1-NE2 2.84Å
79D79.9Confident86.2Confident108 Ų10867.9 Ų67.958%0.57840%0.401SS*.  trans-86.9126.8174.7-175.212.4000110.3S81 C82D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.33Å; D79-S81 PolarHBondContact OD1-N 3.11Å; D79-S81 PolarHBondContact OD1-OG 3.2Å; D79-S81 WeakPolarHBondContact OD2-CB 3.41Å; D79-S81 PolarHBondContact OD2-OG 2.75Å; D79-C82 PolarHBondContact O-SG 3.02Å
80H75.7Confident86.2Confident22 Ų2266.5 Ų66.510%0.10239%0.39CS..  trans-95.40.2177.5-67-43.1000113.2P57 D59 C82 I83 Q127 H130P57-H80 HydrophobicContact CG-CB 4.37Å; D59-H80 PolarHBondContact O-NE2 2.94Å; H80-C82 PolarHBondContact O-N 3.38Å; H80-I83 PolarHBondContact O-N 2.83Å; H80-Q127 PolarHBondContact CE1-OE1 3.01Å; H80-Q127 PolarHBondContact ND1-OE1 2.75Å; H80-H130 AromaticContact CE1-CD2 3.25Å; H80-H130 PolarHBondContact CE1-CD2 2.88Å; H80-H130 AromaticContact CE1-CG 3.7Å; H80-H130 AromaticContact CE1-NE2 3.65Å; H80-H130 AromaticContact NE2-CD2 3.41Å; H80-H130 PolarHBondContact NE2-CD2 2.94Å
81S70.2Confident86.1Confident96 Ų9666 Ų6667%0.67139%0.385SS*.THydrogen-bonded Turntrans-56.1-23.817674.70000114D79D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.33Å; D79-S81 PolarHBondContact OD1-N 3.11Å; D79-S81 PolarHBondContact OD1-OG 3.2Å; D79-S81 WeakPolarHBondContact OD2-CB 3.41Å; D79-S81 PolarHBondContact OD2-OG 2.75Å
82C63.7Low86.1Confident86 Ų8664.1 Ų64.158%0.58138%0.378SS*.THydrogen-bonded Turntrans-76.4-19.9177.460.80000114.5D79 H80D79-C82 PolarHBondContact O-SG 3.02Å; H80-C82 PolarHBondContact O-N 3.38Å
83I71Confident85.9Confident28 Ų2862.6 Ų62.614%0.14438%0.376CS..SBendtrans-95.7105.2177.6-42.9176000109H80 P85 I125 Q127H80-I83 PolarHBondContact O-N 2.83Å; I83-P85 VanDerWaalsContact O-CD 3.28Å; I83-P85 WeakPolarHBondContact O-CD 3.41Å; I83-I125 HydrophobicContact CG2-CG2 4.34Å; I83-Q127 HydrophobicContact CD1-CB 4.26Å; I83-Q127 HydrophobicContact CD1-CG 3.7Å; I83-Q127 HydrophobicContact CG1-CG 4.43Å
84S71.8Confident85.7Confident96 Ų9661.5 Ų61.567%0.67138%0.375SS*.PPolyproline II helixtrans-61119.5166.6-55.30000109.7R86S84-R86 PolarHBondContact O-N 3.39Å
85P73.9Confident85.6Confident95 Ų9559.6 Ų59.662%0.61736%0.364SS*.PPolyproline II helixtrans-59.5130.3179-24.135000110.7I83I83-P85 VanDerWaalsContact O-CD 3.28Å; I83-P85 WeakPolarHBondContact O-CD 3.41Å
86R86.3Confident85.6Confident65 Ų6559 Ų5925%0.24536%0.355CS..PPolyproline II helixtrans-101.6118.8179.6-72.6-169.4171.3-165.2-3.2111.3S84 D118 Q123S84-R86 PolarHBondContact O-N 3.39Å; R86-D118 VanDerWaalsContact CZ-O 3.23Å; R86-D118 PolarHBondContact NH1-O 2.83Å; R86-D118 IonicContact NH1-OD2 2.83Å; R86-D118 PolarHBondContact NH2-O 3.06Å; R86-Q123 WeakPolarHBondContact CD-O 3.46Å; R86-Q123 PolarHBondContact NH1-O 3.24Å
87L88.3Confident85.8Confident41 Ų4157.7 Ų57.722%0.21534%0.341CS..PPolyproline II helixtrans-82.7120.1174.4-172.864.3000110A52 D54 L153A52-L87 HydrophobicContact CB-CD1 3.64Å; A52-L87 HydrophobicContact CB-CD2 4.25Å; A52-L87 HydrophobicContact CB-CG 3.9Å; D54-L87 HydrophobicContact CB-CD1 4.22Å; L87-L153 HydrophobicContact CD1-CD2 3.86Å; L87-L153 HydrophobicContact CD1-CG 4.49Å; L87-L153 HydrophobicContact CD2-CD2 3.8Å; L87-L153 HydrophobicContact CD2-CG 4.47Å
88Y92.1Very high86Confident30 Ų3055.5 Ų55.512%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-92.3114.1170.5178.5-89000109.9A52 M53 F107 V110A52-Y88 CarbonylContact C-O 3.59Å; A52-Y88 WeakPolarHBondContact CA-O 3.41Å; A52-Y88 WeakPolarHBondContact CB-O 3.33Å; M53-Y88 PolarHBondContact N-O 3.21Å; M53-Y88 PolarHBondContact O-N 3.24Å; Y88-F107 AromaticContact CD1-CD1 3.85Å; Y88-F107 HydrophobicContact CD1-CD1 3.85Å; Y88-F107 HydrophobicContact CD1-CE1 4.12Å; Y88-F107 HydrophobicContact CE1-CD1 4.01Å; Y88-F107 HydrophobicContact CE1-CE1 4.44Å; Y88-V110 HydrophobicContact CD1-CG2 3.4Å; Y88-V110 HydrophobicContact CD2-CG2 4.01Å; Y88-V110 HydrophobicContact CE1-CG2 3.51Å; Y88-V110 HydrophobicContact CE2-CG2 4.12Å; Y88-V110 HydrophobicContact CG-CG2 3.66Å
89V92.4Very high86.5Confident58 Ų5856.5 Ų56.535%0.35233%0.333SS..EExtended strand (participates in β ladder)trans-81.9132.9172.6-1770000109.6Y50 A52Y50-V89 HydrophobicContact CD1-CG1 4.33Å; A52-V89 HydrophobicContact CB-CG2 4.38Å
90H94.4Very high87.3Confident14 Ų1451.8 Ų51.87%0.06531%0.307CS..  trans-66.7133.4176-171.1-84.1000109.7V51 D92 S93 W100 I105 S106 F107V51-H90 WeakPolarHBondContact O-CB 3.16Å; V51-H90 PolarHBondContact O-N 2.8Å; H90-D92 VanDerWaalsContact CE1-CG 3.41Å; H90-D92 IonicContact CE1-OD1 3.59Å; H90-D92 IonicContact CE1-OD2 3.49Å; H90-D92 PolarHBondContact CE1-OD2 3.34Å; H90-D92 PolarHBondContact ND1-N 2.97Å; H90-D92 IonicContact ND1-OD1 3.49Å; H90-D92 IonicContact ND1-OD2 3.47Å; H90-D92 PolarHBondContact O-N 3.08Å; H90-D92 VanDerWaalsContact O-N 3.1Å; H90-S93 WeakPolarHBondContact O-CB 3.45Å; H90-S93 PolarHBondContact O-N 3.06Å; H90-S93 PolarHBondContact O-OG 2.73Å; H90-W100 HydrophobicContact CB-CH2 4.16Å; H90-W100 AromaticContact ND1-CH2 3.57Å; H90-W100 AromaticContact ND1-CZ3 3.67Å; H90-I105 VanDerWaalsContact CD2-CG2 3.48Å; H90-I105 WeakPolarHBondContact CD2-CG2 3.39Å; H90-S106 PolarHBondContact CD2-O 2.87Å; H90-S106 PolarHBondContact NE2-O 3.44Å; H90-F107 HydrophobicContact CB-CE1 4.16Å
91P93.6Very high88.4Confident67 Ų6753 Ų5344%0.43531%0.313SS..THydrogen-bonded Turntrans-60-27.8-169.822.4-34.4000114.4S93P91-S93 PolarHBondContact O-N 3.34Å
92D94.1Very high89.7Confident78 Ų7857 Ų5742%0.41731%0.314SS..THydrogen-bonded Turntrans-76.26.8177.1-47.77.7000113.3H90 P94 C95 W100H90-D92 VanDerWaalsContact CE1-CG 3.41Å; H90-D92 IonicContact CE1-OD1 3.59Å; H90-D92 IonicContact CE1-OD2 3.49Å; H90-D92 PolarHBondContact CE1-OD2 3.34Å; H90-D92 PolarHBondContact ND1-N 2.97Å; H90-D92 IonicContact ND1-OD1 3.49Å; H90-D92 IonicContact ND1-OD2 3.47Å; H90-D92 PolarHBondContact O-N 3.08Å; H90-D92 VanDerWaalsContact O-N 3.1Å; D92-P94 CarbonylContact O-C 3.56Å; D92-C95 WeakPolarHBondContact O-CB 3.17Å; D92-C95 PolarHBondContact O-SG 2.88Å; D92-W100 HydrophobicContact CB-CH2 3.95Å; D92-W100 HydrophobicContact CB-CZ3 4.26Å
93S92.7Very high91.3Very high22 Ų2258.8 Ų58.815%0.15431%0.314CS..  trans-91.6142.3-179.7-50.10000112.5V51 H90 P91 W100V51-S93 PolarHBondContact N-OG 2.89Å; V51-S93 PolarHBondContact O-OG 3.26Å; H90-S93 WeakPolarHBondContact O-CB 3.45Å; H90-S93 PolarHBondContact O-N 3.06Å; H90-S93 PolarHBondContact O-OG 2.73Å; P91-S93 PolarHBondContact O-N 3.34Å; S93-W100 WeakPolarHBondContact OG-CZ2 3.01Å
94P93.3Very high92.6Very high54 Ų5459.5 Ų59.535%0.35132%0.319SS..SBendcis-78.2148.3-5.131.2-32.7000112.5Y50 D92Y50-P94 HydrophobicContact CD1-CB 4.13Å; Y50-P94 HydrophobicContact CD2-CB 4.02Å; Y50-P94 HydrophobicContact CE1-CB 3.9Å; Y50-P94 HydrophobicContact CE1-CG 4Å; Y50-P94 HydrophobicContact CE2-CB 3.8Å; Y50-P94 HydrophobicContact CE2-CG 4.32Å; Y50-P94 HydrophobicContact CG-CB 4.18Å; D92-P94 CarbonylContact O-C 3.56Å
95C95Very high93.8Very high33 Ų3355.2 Ų55.222%0.22329%0.288CS..EExtended strand (participates in β ladder)trans-136.6160.4174-105.40000111.2Q48 Y49 D92 T99 W100Q48-C95 WeakPolarHBondContact CA-O 3.5Å; Y49-C95 PolarHBondContact N-O 3.37Å; Y49-C95 PolarHBondContact O-N 3.12Å; D92-C95 WeakPolarHBondContact O-CB 3.17Å; D92-C95 PolarHBondContact O-SG 2.88Å; C95-T99 HydrophobicContact CB-CG2 4.32Å; C95-W100 HydrophobicContact CB-CD2 4.12Å; C95-W100 HydrophobicContact CB-CG 4.41Å; C95-W100 HydrophobicContact CB-CZ2 3.85Å; C95-W100 PolarHBondContact O-NE1 3Å
96T96.4Very high95Very high43 Ų4352.1 Ų52.126%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-67.7151175.760.90000111.5Q47 Q48 E98 T99 W100Q47-T96 CarbonylContact O-C 3.53Å; Q47-T96 WeakPolarHBondContact O-CA 3.49Å; Q48-T96 HydrophobicContact CG-CG2 4.35Å; T96-E98 PolarHBondContact O-N 3.16Å; T96-T99 WeakPolarHBondContact O-CB 3.45Å; T96-T99 PolarHBondContact O-N 3.26Å; T96-T99 PolarHBondContact OG1-N 2.9Å; T96-T99 PolarHBondContact OG1-OG1 2.85Å; T96-W100 VanDerWaalsContact O-CD1 3.29Å; T96-W100 PolarHBondContact O-N 2.72Å
97G96.8Very high95.5Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-59.5-31.3176.800000112.8D44 Q47 M101D44-G97 WeakPolarHBondContact O-CA 3.41Å; Q47-G97 PolarHBondContact O-N 2.85Å; G97-M101 VanDerWaalsContact O-CB 3.31Å; G97-M101 WeakPolarHBondContact O-CB 3.26Å; G97-M101 WeakPolarHBondContact O-CE 3.45Å; G97-M101 VanDerWaalsContact O-CG 3.25Å; G97-M101 WeakPolarHBondContact O-CG 3.34Å; G97-M101 PolarHBondContact O-N 2.85Å
98E97.6Very high95.8Very high91 Ų9149.9 Ų49.943%0.42526%0.262SS..Hα-helixtrans-61.8-45.9172.1-156.2-133.1118.300111.8P45 T96 M101 R102P45-E98 HydrophobicContact CB-CB 4.01Å; P45-E98 HydrophobicContact CB-CG 4.33Å; P45-E98 PolarHBondContact O-N 2.88Å; T96-E98 PolarHBondContact O-N 3.16Å; E98-M101 CarbonylContact O-C 3.59Å; E98-M101 PolarHBondContact O-N 2.93Å; E98-R102 WeakPolarHBondContact O-CB 3.23Å; E98-R102 PolarHBondContact O-N 2.84Å; E98-R102 IonicContact OE1-CZ 3.44Å; E98-R102 IonicContact OE1-NE 3.41Å; E98-R102 PolarHBondContact OE1-NE 2.97Å; E98-R102 IonicContact OE1-NH2 2.66Å; E98-R102 PolarHBondContact OE1-NH2 2.98Å
99T97.4Very high96Very high59 Ų5955.8 Ų55.836%0.36228%0.284SS..Hα-helixtrans-62.8-45.7179-56.90000111.3C95 T96 M101 R102C95-T99 HydrophobicContact CB-CG2 4.32Å; T96-T99 WeakPolarHBondContact O-CB 3.45Å; T96-T99 PolarHBondContact O-N 3.26Å; T96-T99 PolarHBondContact OG1-N 2.9Å; T96-T99 PolarHBondContact OG1-OG1 2.85Å; T99-M101 PolarHBondContact O-N 2.85Å; T99-R102 WeakPolarHBondContact O-CB 3.13Å; T99-R102 PolarHBondContact O-N 3.42Å
100W97.7Very high96.1Very high9 Ų953 Ų533%0.03427%0.268CS..Hα-helixtrans-63.7-38.9175.7-70.2124.7000113.1L43 Y49 V51 H90 D92 S93 C95 T96 R102 I105L43-W100 HydrophobicContact CD1-CB 3.84Å; L43-W100 HydrophobicContact CD1-CG 4.45Å; Y49-W100 PolarHBondContact O-NE1 3.48Å; V51-W100 HydrophobicContact CB-CE3 4.49Å; V51-W100 HydrophobicContact CB-CH2 3.88Å; V51-W100 HydrophobicContact CB-CZ2 3.89Å; V51-W100 HydrophobicContact CB-CZ3 4.2Å; V51-W100 HydrophobicContact CG2-CD2 3.73Å; V51-W100 HydrophobicContact CG2-CE3 4.08Å; V51-W100 HydrophobicContact CG2-CG 4.2Å; V51-W100 HydrophobicContact CG2-CH2 4.14Å; V51-W100 HydrophobicContact CG2-CZ2 3.79Å; V51-W100 HydrophobicContact CG2-CZ3 4.28Å; H90-W100 HydrophobicContact CB-CH2 4.16Å; H90-W100 AromaticContact ND1-CH2 3.57Å; H90-W100 AromaticContact ND1-CZ3 3.67Å; D92-W100 HydrophobicContact CB-CH2 3.95Å; D92-W100 HydrophobicContact CB-CZ3 4.26Å; S93-W100 WeakPolarHBondContact OG-CZ2 3.01Å; C95-W100 HydrophobicContact CB-CD2 4.12Å; C95-W100 HydrophobicContact CB-CG 4.41Å; C95-W100 HydrophobicContact CB-CZ2 3.85Å; C95-W100 PolarHBondContact O-NE1 3Å; T96-W100 VanDerWaalsContact O-CD1 3.29Å; T96-W100 PolarHBondContact O-N 2.72Å; W100-R102 VanDerWaalsContact C-N 3.29Å; W100-R102 PolarHBondContact O-N 2.87Å; W100-I105 HydrophobicContact CB-CD1 4.44Å; W100-I105 HydrophobicContact CD2-CD1 4.14Å; W100-I105 HydrophobicContact CE3-CD1 3.45Å; W100-I105 VanDerWaalsContact CE3-CD1 3.45Å; W100-I105 HydrophobicContact CE3-CG1 3.84Å; W100-I105 HydrophobicContact CZ3-CD1 4.02Å; W100-I105 HydrophobicContact CZ3-CG1 4.24Å; W100-I105 HydrophobicContact CZ3-CG2 4.07Å
101M97.8Very high96.2Very high48 Ų4856.1 Ų56.124%0.23628%0.281CS..Hα-helixtrans-75.6-13.4176.1-71.3-169.8-64.400113.5K39 N42 L43 P45 G97 E98 T99K39-M101 WeakPolarHBondContact CE-O 3.28Å; K39-M101 PolarHBondContact NZ-O 2.81Å; N42-M101 PolarHBondContact N-SD 2.97Å; L43-M101 HydrophobicContact CB-CE 4.01Å; L43-M101 HydrophobicContact CB-CG 4.23Å; L43-M101 HydrophobicContact CB-SD 3.98Å; L43-M101 HydrophobicContact CD1-CG 4.33Å; L43-M101 HydrophobicContact CG-CG 4.26Å; L43-M101 HydrophobicContact CG-SD 4.47Å; L43-M101 PolarHBondContact N-SD 2.85Å; L43-M101 VanDerWaalsContact O-CE 3.24Å; L43-M101 WeakPolarHBondContact O-CE 3.33Å; P45-M101 HydrophobicContact CG-CE 4.4Å; G97-M101 VanDerWaalsContact O-CB 3.31Å; G97-M101 WeakPolarHBondContact O-CB 3.26Å; G97-M101 WeakPolarHBondContact O-CE 3.45Å; G97-M101 VanDerWaalsContact O-CG 3.25Å; G97-M101 WeakPolarHBondContact O-CG 3.34Å; G97-M101 PolarHBondContact O-N 2.85Å; E98-M101 CarbonylContact O-C 3.59Å; E98-M101 PolarHBondContact O-N 2.93Å; T99-M101 PolarHBondContact O-N 2.85Å
102R97.5Very high96.3Very high181 Ų18153 Ų5368%0.68326%0.26SS*.Hα-helixtrans-69-52.4-178.8-165.3176.3-77-1540.4112.1K39 E98 T99 W100K39-R102 VanDerWaalsContact NZ-C 3.31Å; K39-R102 PolarHBondContact NZ-O 3.15Å; E98-R102 WeakPolarHBondContact O-CB 3.23Å; E98-R102 PolarHBondContact O-N 2.84Å; E98-R102 IonicContact OE1-CZ 3.44Å; E98-R102 IonicContact OE1-NE 3.41Å; E98-R102 PolarHBondContact OE1-NE 2.97Å; E98-R102 IonicContact OE1-NH2 2.66Å; E98-R102 PolarHBondContact OE1-NH2 2.98Å; T99-R102 WeakPolarHBondContact O-CB 3.13Å; T99-R102 PolarHBondContact O-N 3.42Å; W100-R102 VanDerWaalsContact C-N 3.29Å; W100-R102 PolarHBondContact O-N 2.87Å
103Q96.8Very high96.4Very high123 Ų12349.3 Ų49.358%0.57524%0.241SC*.SBendtrans-114-161.5-175.764.8179.9-6.400114.1K39K39-Q103 VanDerWaalsContact CD-O 3.23Å; K39-Q103 WeakPolarHBondContact CD-O 3.27Å; K39-Q103 PolarHBondContact NZ-O 2.91Å
104V98.1Very high96.4Very high43 Ų4351.6 Ų51.626%0.26125%0.251SS..  trans-106.9126.8174168.70000108.3Q8 R37 K39Q8-V104 HydrophobicContact CB-CG1 4.09Å; Q8-V104 HydrophobicContact CG-CG1 3.73Å; Q8-V104 HydrophobicContact CG-CG2 4Å; R37-V104 HydrophobicContact CB-CG1 4.08Å; K39-V104 HydrophobicContact CB-CG2 4.42Å; K39-V104 HydrophobicContact CD-CG2 4.08Å
105I98.3Very high96.4Very high5 Ų550.8 Ų50.83%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-77.6139.7-179.2-48.7-179000109R37 V38 V40 V51 H90 W100 F107R37-I105 CarbonylContact C-O 3.49Å; R37-I105 VanDerWaalsContact CA-O 3.24Å; R37-I105 WeakPolarHBondContact CA-O 3.5Å; V38-I105 HydrophobicContact CG2-CB 3.99Å; V38-I105 HydrophobicContact CG2-CD1 4.45Å; V38-I105 PolarHBondContact N-O 2.96Å; V38-I105 PolarHBondContact O-N 3.29Å; V40-I105 HydrophobicContact CG2-CD1 3.66Å; V51-I105 HydrophobicContact CB-CD1 4.4Å; V51-I105 HydrophobicContact CG1-CD1 3.97Å; V51-I105 HydrophobicContact CG1-CG2 4.1Å; V51-I105 HydrophobicContact CG2-CD1 4.02Å; H90-I105 VanDerWaalsContact CD2-CG2 3.48Å; H90-I105 WeakPolarHBondContact CD2-CG2 3.39Å; W100-I105 HydrophobicContact CB-CD1 4.44Å; W100-I105 HydrophobicContact CD2-CD1 4.14Å; W100-I105 HydrophobicContact CE3-CD1 3.45Å; W100-I105 VanDerWaalsContact CE3-CD1 3.45Å; W100-I105 HydrophobicContact CE3-CG1 3.84Å; W100-I105 HydrophobicContact CZ3-CD1 4.02Å; W100-I105 HydrophobicContact CZ3-CG1 4.24Å; W100-I105 HydrophobicContact CZ3-CG2 4.07Å; I105-F107 HydrophobicContact CG2-CE2 4.32Å; I105-F107 HydrophobicContact CG2-CZ 4.47Å
106S97.8Very high96Very high31 Ų3154.9 Ų54.922%0.21726%0.26CS..EExtended strand (participates in β ladder)trans-131.1120.7-170.1-173.80000112.9H90 D108H90-S106 PolarHBondContact CD2-O 2.87Å; H90-S106 PolarHBondContact NE2-O 3.44Å; S106-D108 VanDerWaalsContact C-N 3.34Å; S106-D108 PolarHBondContact OG-OD1 3.44Å
107F97.2Very high95.4Very high1 Ų160.5 Ų60.50%0.00429%0.285CS..  trans-96.629.6174.7-65.3-78.8000112.5V36 V51 M53 Y88 H90 I105 R109 V110 V136V36-F107 HydrophobicContact CB-CB 4.28Å; V36-F107 HydrophobicContact CB-CD2 4.32Å; V36-F107 HydrophobicContact CG1-CD2 4.13Å; V36-F107 WeakPolarHBondContact O-CB 3.44Å; V36-F107 PolarHBondContact O-N 2.88Å; V51-F107 HydrophobicContact CG1-CZ 3.93Å; M53-F107 HydrophobicContact CB-CD1 3.79Å; M53-F107 HydrophobicContact CB-CD2 4.47Å; M53-F107 HydrophobicContact CB-CE1 3.53Å; M53-F107 HydrophobicContact CB-CE2 4.24Å; M53-F107 HydrophobicContact CB-CG 4.25Å; M53-F107 HydrophobicContact CB-CZ 3.76Å; M53-F107 HydrophobicContact SD-CB 3.94Å; M53-F107 HydrophobicContact SD-CD1 4.19Å; M53-F107 HydrophobicContact SD-CD2 4.1Å; M53-F107 HydrophobicContact SD-CG 3.82Å; Y88-F107 AromaticContact CD1-CD1 3.85Å; Y88-F107 HydrophobicContact CD1-CD1 3.85Å; Y88-F107 HydrophobicContact CD1-CE1 4.12Å; Y88-F107 HydrophobicContact CE1-CD1 4.01Å; Y88-F107 HydrophobicContact CE1-CE1 4.44Å; H90-F107 HydrophobicContact CB-CE1 4.16Å; I105-F107 HydrophobicContact CG2-CE2 4.32Å; I105-F107 HydrophobicContact CG2-CZ 4.47Å; F107-R109 PolarHBondContact O-N 3.33Å; F107-V110 HydrophobicContact CB-CG2 3.76Å; F107-V110 HydrophobicContact CD1-CG2 3.97Å; F107-V110 HydrophobicContact CG-CG2 4.35Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 WeakPolarHBondContact O-CG2 3.38Å; F107-V110 PolarHBondContact O-N 3.27Å; F107-V136 HydrophobicContact CD2-CG2 4.38Å; F107-V136 HydrophobicContact CE2-CG1 3.92Å; F107-V136 HydrophobicContact CE2-CG2 3.76Å; F107-V136 HydrophobicContact CZ-CG1 4.06Å; F107-V136 HydrophobicContact CZ-CG2 4.42Å
108D95.7Very high94.7Very high57 Ų5760.9 Ų60.931%0.30529%0.287SS..THydrogen-bonded Turntrans-66.7-20.8178.871.9-83.8000113.9R31 S106R31-D108 WeakPolarHBondContact CD-O 3.14Å; R31-D108 WeakPolarHBondContact CG-O 3.44Å; R31-D108 PolarHBondContact NE-O 3.48Å; R31-D108 PolarHBondContact NH1-O 3.01Å; R31-D108 IonicContact NH1-OD2 3.92Å; R31-D108 PolarHBondContact NH1-OD2 2.74Å; S106-D108 VanDerWaalsContact C-N 3.34Å; S106-D108 PolarHBondContact OG-OD1 3.44Å
109R94.8Very high93.5Very high155 Ų15563.1 Ų63.159%0.58530%0.302SS*.THydrogen-bonded Turntrans-78.7-18.1175.4-75.7-177163.1-159.7-4.9113.4F107F107-R109 PolarHBondContact O-N 3.33Å
110V95.3Very high92.2Very high0 Ų067 Ų670%031%0.314CS..  trans-63.3136.4-178.2-179.20000110.8R31 M32 M53 Y88 F107 L112 I124R31-V110 WeakPolarHBondContact CA-O 3.38Å; M32-V110 HydrophobicContact CE-CB 4.33Å; M32-V110 HydrophobicContact CE-CG1 4.39Å; M53-V110 HydrophobicContact CE-CB 4.25Å; M53-V110 HydrophobicContact CE-CG1 3.8Å; M53-V110 HydrophobicContact CE-CG2 3.94Å; Y88-V110 HydrophobicContact CD1-CG2 3.4Å; Y88-V110 HydrophobicContact CD2-CG2 4.01Å; Y88-V110 HydrophobicContact CE1-CG2 3.51Å; Y88-V110 HydrophobicContact CE2-CG2 4.12Å; Y88-V110 HydrophobicContact CG-CG2 3.66Å; F107-V110 HydrophobicContact CB-CG2 3.76Å; F107-V110 HydrophobicContact CD1-CG2 3.97Å; F107-V110 HydrophobicContact CG-CG2 4.35Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 WeakPolarHBondContact O-CG2 3.38Å; F107-V110 PolarHBondContact O-N 3.27Å; V110-L112 HydrophobicContact CG1-CD2 4.47Å; V110-I124 HydrophobicContact CG1-CD1 3.79Å; V110-I124 HydrophobicContact CG1-CG1 4.17Å
111K95.7Very high91Very high79 Ų7968.6 Ų68.634%0.34333%0.334SS..EExtended strand (participates in β ladder)trans-115.1137.4174.1-75.4-179.6164.5-162.10111.3A28 G29 R30 R31 Q123 I124A28-K111 PolarHBondContact O-NZ 3.28Å; G29-K111 WeakPolarHBondContact O-CE 3.47Å; R30-K111 CarbonylContact O-C 3.55Å; R30-K111 WeakPolarHBondContact O-CA 3.49Å; R31-K111 HydrophobicContact CG-CG 4.4Å; K111-Q123 HydrophobicContact CB-CB 4.45Å; K111-Q123 HydrophobicContact CB-CG 4.14Å; K111-Q123 HydrophobicContact CD-CG 4.37Å; K111-I124 PolarHBondContact O-N 3.08Å
112L96.5Very high90.1Very high1 Ų173.4 Ų73.41%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-100.7129.2169.4-50.8-175.4000109.3M23 I25 G29 R30 M32 V110 I124 L126 F168M23-L112 HydrophobicContact CB-CD1 4.01Å; M23-L112 HydrophobicContact CG-CD1 4.47Å; I25-L112 HydrophobicContact CG2-CB 3.76Å; I25-L112 HydrophobicContact CG2-CD1 4.48Å; G29-L112 WeakPolarHBondContact CA-O 3.41Å; R30-L112 PolarHBondContact N-O 2.88Å; R30-L112 PolarHBondContact O-N 2.93Å; M32-L112 HydrophobicContact CG-CD1 3.68Å; M32-L112 HydrophobicContact CG-CD2 4.32Å; M32-L112 HydrophobicContact CG-CG 3.89Å; M32-L112 HydrophobicContact SD-CD1 4.18Å; M32-L112 HydrophobicContact SD-CD2 4.36Å; M32-L112 HydrophobicContact SD-CG 4.5Å; V110-L112 HydrophobicContact CG1-CD2 4.47Å; L112-I124 WeakPolarHBondContact CA-O 3.38Å; L112-I124 HydrophobicContact CD2-CB 4.05Å; L112-I124 HydrophobicContact CD2-CG2 4.49Å; L112-L126 HydrophobicContact CB-CD1 4.28Å; L112-L126 HydrophobicContact CD1-CD1 3.93Å; L112-L126 HydrophobicContact CD2-CD1 3.94Å; L112-L126 HydrophobicContact CG-CD1 4.26Å; L112-F168 HydrophobicContact CD1-CE2 3.92Å; L112-F168 HydrophobicContact CD1-CZ 3.72Å
113T95.6Very high89.8Confident0 Ų065.5 Ų65.50%033%0.326CS..EExtended strand (participates in β ladder)trans-128.2152.9-178.1-174.60000111.8T26 K27 N115 D118 Q123 I124 I125 L126T26-T113 WeakPolarHBondContact O-CA 3.33Å; T26-T113 WeakPolarHBondContact O-CB 3.36Å; T26-T113 PolarHBondContact O-OG1 2.83Å; K27-T113 PolarHBondContact O-OG1 3.2Å; T113-N115 WeakPolarHBondContact OG1-CB 3.46Å; T113-N115 PolarHBondContact OG1-N 3.39Å; T113-N115 VanDerWaalsContact OG1-N 3.08Å; T113-D118 HydrophobicContact CG2-CB 4.4Å; T113-Q123 HydrophobicContact CG2-CB 3.79Å; T113-I124 PolarHBondContact N-O 3.28Å; T113-I125 HydrophobicContact CG2-CB 4.48Å; T113-I125 HydrophobicContact CG2-CG1 3.83Å; T113-I125 WeakPolarHBondContact O-CA 3.42Å; T113-L126 PolarHBondContact O-N 3.21Å
114N94.3Very high89.6Confident70 Ų7059.9 Ų59.937%0.37430%0.3SS..  trans-101.110.2168.474.5-51.8000112.7I25 K27 E116I25-N114 HydrophobicContact CD1-CB 3.69Å; I25-N114 HydrophobicContact CG1-CB 4.02Å; K27-N114 PolarHBondContact N-OD1 2.86Å; N114-E116 PolarHBondContact O-N 2.82Å
115N91.9Very high89.4Confident37 Ų3758.5 Ų58.520%0.19829%0.291CS..  trans-83.796.6175.6-17534.4000110K27 T113 M117 D118 I125K27-N115 HydrophobicContact CG-CB 4.2Å; T113-N115 WeakPolarHBondContact OG1-CB 3.46Å; T113-N115 PolarHBondContact OG1-N 3.39Å; T113-N115 VanDerWaalsContact OG1-N 3.08Å; N115-M117 PolarHBondContact ND2-O 3.43Å; N115-M117 PolarHBondContact O-N 3.47Å; N115-D118 HydrophobicContact CB-CB 4.24Å; N115-D118 VanDerWaalsContact ND2-CA 3.33Å; N115-D118 WeakPolarHBondContact ND2-CA 3.28Å; N115-D118 PolarHBondContact ND2-N 3.49Å; N115-D118 PolarHBondContact ND2-OD1 2.98Å; N115-D118 WeakPolarHBondContact O-CB 3.43Å; N115-D118 PolarHBondContact O-N 3.33Å; N115-I125 WeakPolarHBondContact O-CD1 3.43Å; N115-I125 WeakPolarHBondContact O-CG1 3.41Å
116E87Confident89.2Confident119 Ų11958.5 Ų58.556%0.55629%0.291SS*.THydrogen-bonded Turntrans-60.6-25176.6-66.6179165.300112.3N114 D118 I125N114-E116 PolarHBondContact O-N 2.82Å; E116-D118 PolarHBondContact O-N 2.85Å; E116-I125 HydrophobicContact CG-CG2 4.12Å; E116-I125 WeakPolarHBondContact O-CD1 3.36Å
117M84Confident89.1Confident162 Ų16258.6 Ų58.680%0.79829%0.288SS*.THydrogen-bonded Turntrans-96.733.9177.7-54.6-57.3-66.300113.1N115 D119N115-M117 PolarHBondContact ND2-O 3.43Å; N115-M117 PolarHBondContact O-N 3.47Å; M117-D119 PolarHBondContact O-N 3.35Å; M117-D119 VanDerWaalsContact O-N 3.11Å
118D81.6Confident89.1Confident8 Ų860.1 Ų60.14%0.04330%0.298CS..  trans-79.291.2178.3-162.469.9000111.8R86 T113 N115 E116 K120 Q123 I125R86-D118 VanDerWaalsContact CZ-O 3.23Å; R86-D118 PolarHBondContact NH1-O 2.83Å; R86-D118 IonicContact NH1-OD2 2.83Å; R86-D118 PolarHBondContact NH2-O 3.06Å; T113-D118 HydrophobicContact CG2-CB 4.4Å; N115-D118 HydrophobicContact CB-CB 4.24Å; N115-D118 VanDerWaalsContact ND2-CA 3.33Å; N115-D118 WeakPolarHBondContact ND2-CA 3.28Å; N115-D118 PolarHBondContact ND2-N 3.49Å; N115-D118 PolarHBondContact ND2-OD1 2.98Å; N115-D118 WeakPolarHBondContact O-CB 3.43Å; N115-D118 PolarHBondContact O-N 3.33Å; E116-D118 PolarHBondContact O-N 2.85Å; D118-K120 PolarHBondContact O-N 2.8Å; D118-Q123 PolarHBondContact OD1-NE2 3.33Å; D118-Q123 PolarHBondContact OD2-NE2 2.91Å; D118-I125 HydrophobicContact CB-CD1 4.23Å; D118-I125 HydrophobicContact CB-CG1 4.41Å
119D72.4Confident89.1Confident138 Ų13858.8 Ų58.874%0.73829%0.291SS*.THydrogen-bonded Turntrans-54.4-31177.364.2-29.1000113.8M117 G121M117-D119 PolarHBondContact O-N 3.35Å; M117-D119 VanDerWaalsContact O-N 3.11Å; D119-G121 PolarHBondContact O-N 3.37Å; D119-G121 VanDerWaalsContact O-N 3.08Å
120K71.3Confident89.2Confident139 Ų13951.6 Ų51.660%0.60426%0.264SS*.THydrogen-bonded Turntrans-67.4-12.6-168.5-49.3-160.3175.9-173.20115.7D118 H122D118-K120 PolarHBondContact O-N 2.8Å; K120-H122 PolarHBondContact O-N 3.13Å; K120-H122 PolarHBondContact O-ND1 3.34Å
121G70.8Confident89.3Confident44 Ų4454.6 Ų54.645%0.45428%0.277SS..SBendtrans69.9-38.6177.600000116.3D119 Q123D119-G121 PolarHBondContact O-N 3.37Å; D119-G121 VanDerWaalsContact O-N 3.08Å; G121-Q123 PolarHBondContact O-N 3.05Å
122H78.9Confident89.4Confident148 Ų14851 Ų5169%0.68526%0.261SS*.SBendtrans-64.4-0.2-174.8-66.184.1000115.8K120K120-H122 PolarHBondContact O-N 3.13Å; K120-H122 PolarHBondContact O-ND1 3.34Å
123Q91.2Very high89.5Confident16 Ų1653 Ų538%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-124.7135.2-174.6-52.5-174.998.700110.1A28 G29 R86 K111 T113 D118 G121 I125A28-Q123 PolarHBondContact O-OE1 2.8Å; G29-Q123 VanDerWaalsContact CA-OE1 3.28Å; R86-Q123 WeakPolarHBondContact CD-O 3.46Å; R86-Q123 PolarHBondContact NH1-O 3.24Å; K111-Q123 HydrophobicContact CB-CB 4.45Å; K111-Q123 HydrophobicContact CB-CG 4.14Å; K111-Q123 HydrophobicContact CD-CG 4.37Å; T113-Q123 HydrophobicContact CG2-CB 3.79Å; D118-Q123 PolarHBondContact OD1-NE2 3.33Å; D118-Q123 PolarHBondContact OD2-NE2 2.91Å; G121-Q123 PolarHBondContact O-N 3.05Å; Q123-I125 PolarHBondContact O-N 3.19Å
124I93.3Very high89.6Confident4 Ų453.1 Ų53.12%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-82.2118177.8-55.1-176.2000108M53 V55 V110 K111 L112 T113 L126M53-I124 HydrophobicContact CE-CD1 3.86Å; V55-I124 HydrophobicContact CB-CG2 4.09Å; V55-I124 HydrophobicContact CG2-CD1 3.79Å; V55-I124 HydrophobicContact CG2-CG2 4.25Å; V110-I124 HydrophobicContact CG1-CD1 3.79Å; V110-I124 HydrophobicContact CG1-CG1 4.17Å; K111-I124 PolarHBondContact O-N 3.08Å; L112-I124 WeakPolarHBondContact CA-O 3.38Å; L112-I124 HydrophobicContact CD2-CB 4.05Å; L112-I124 HydrophobicContact CD2-CG2 4.49Å; T113-I124 PolarHBondContact N-O 3.28Å; I124-L126 HydrophobicContact CG2-CD2 3.98Å; I124-L126 HydrophobicContact CG2-CG 4.21Å
125I93.8Very high89.7Confident15 Ų1553 Ų538%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-81.5127.9177.5-62173.1000108.3I83 T113 N115 E116 D118 Q123I83-I125 HydrophobicContact CG2-CG2 4.34Å; T113-I125 HydrophobicContact CG2-CB 4.48Å; T113-I125 HydrophobicContact CG2-CG1 3.83Å; T113-I125 WeakPolarHBondContact O-CA 3.42Å; N115-I125 WeakPolarHBondContact O-CD1 3.43Å; N115-I125 WeakPolarHBondContact O-CG1 3.41Å; E116-I125 HydrophobicContact CG-CG2 4.12Å; E116-I125 WeakPolarHBondContact O-CD1 3.36Å; D118-I125 HydrophobicContact CB-CD1 4.23Å; D118-I125 HydrophobicContact CB-CG1 4.41Å; Q123-I125 PolarHBondContact O-N 3.19Å
126L94.8Very high89.9Confident5 Ų551.4 Ų51.43%0.02626%0.256CS..  trans-136.6147.6175.3-55.8174.4000110I25 V55 L112 T113 I124 Y132 F168 T170I25-L126 WeakPolarHBondContact CD1-O 3.15Å; V55-L126 HydrophobicContact CB-CD2 4.2Å; V55-L126 HydrophobicContact CG1-CD1 4.08Å; V55-L126 HydrophobicContact CG1-CD2 3.76Å; L112-L126 HydrophobicContact CB-CD1 4.28Å; L112-L126 HydrophobicContact CD1-CD1 3.93Å; L112-L126 HydrophobicContact CD2-CD1 3.94Å; L112-L126 HydrophobicContact CG-CD1 4.26Å; T113-L126 PolarHBondContact O-N 3.21Å; I124-L126 HydrophobicContact CG2-CD2 3.98Å; I124-L126 HydrophobicContact CG2-CG 4.21Å; L126-Y132 HydrophobicContact CB-CE2 3.96Å; L126-Y132 HydrophobicContact CD1-CD2 4.34Å; L126-Y132 HydrophobicContact CD1-CG 4.5Å; L126-Y132 HydrophobicContact CD2-CD1 3.71Å; L126-Y132 HydrophobicContact CD2-CD2 4.33Å; L126-Y132 HydrophobicContact CD2-CE1 3.6Å; L126-Y132 HydrophobicContact CD2-CE2 4.18Å; L126-Y132 HydrophobicContact CD2-CG 4.09Å; L126-Y132 HydrophobicContact CG-CE2 4.46Å; L126-F168 HydrophobicContact CD1-CE2 4.1Å; L126-F168 HydrophobicContact CD1-CZ 4.14Å; L126-T170 HydrophobicContact CB-CG2 3.89Å; L126-T170 HydrophobicContact CD1-CG2 3.64Å; L126-T170 HydrophobicContact CG-CG2 4.42Å
127Q95Very high90.3Very high33 Ų3345.7 Ų45.715%0.15423%0.23CC..  trans-77.8149.9169.4-77.6166.7-11.900110H80 I83 Y132 T170H80-Q127 PolarHBondContact CE1-OE1 3.01Å; H80-Q127 PolarHBondContact ND1-OE1 2.75Å; I83-Q127 HydrophobicContact CD1-CB 4.26Å; I83-Q127 HydrophobicContact CD1-CG 3.7Å; I83-Q127 HydrophobicContact CG1-CG 4.43Å; Q127-Y132 PolarHBondContact N-OH 2.73Å; Q127-Y132 VanDerWaalsContact N-OH 3.12Å; Q127-T170 WeakPolarHBondContact O-CB 3.48Å; Q127-T170 PolarHBondContact O-OG1 3.42Å
128S96.6Very high90.9Very high32 Ų3238 Ų3822%0.22419%0.192CC..THydrogen-bonded Turntrans-75.8153.9174.7-165.70000111.1H130 T172S128-H130 PolarHBondContact O-ND1 3.24Å; S128-T172 PolarHBondContact OG-N 3.01Å
129M97.3Very high91.4Very high29 Ų2937.8 Ų37.814%0.14319%0.191CC..THydrogen-bonded Turntrans63.434.3177.2-45.2-59.6-78.100114.7R62 Y63 W72 T170 V171 Q175R62-M129 HydrophobicContact CG-CB 4.37Å; Y63-M129 PolarHBondContact N-O 2.7Å; Y63-M129 WeakPolarHBondContact O-CB 3.45Å; W72-M129 HydrophobicContact CH2-CE 3.97Å; W72-M129 HydrophobicContact CZ3-CE 3.68Å; M129-T170 VanDerWaalsContact CA-O 3.29Å; M129-T170 WeakPolarHBondContact CA-O 3.49Å; M129-T170 PolarHBondContact N-O 3.37Å; M129-T170 PolarHBondContact N-OG1 3.2Å; M129-V171 HydrophobicContact SD-CG1 4.09Å; M129-Q175 HydrophobicContact CE-CG 4.42Å
130H97.2Very high92.3Very high5 Ų535.7 Ų35.72%0.02318%0.176CC..  trans-129.2155.6178.3-70.389000110.9K61 R62 T78 H80 S128 Y132 T169 T170K61-H130 PolarHBondContact O-CD2 3.05Å; R62-H130 WeakPolarHBondContact CA-NE2 3.25Å; R62-H130 WeakPolarHBondContact CB-NE2 3.24Å; T78-H130 VanDerWaalsContact CB-NE2 3.3Å; T78-H130 WeakPolarHBondContact CB-NE2 3.46Å; T78-H130 WeakPolarHBondContact CG2-NE2 3.45Å; T78-H130 PolarHBondContact OG1-NE2 2.84Å; H80-H130 AromaticContact CE1-CD2 3.25Å; H80-H130 PolarHBondContact CE1-CD2 2.88Å; H80-H130 AromaticContact CE1-CG 3.7Å; H80-H130 AromaticContact CE1-NE2 3.65Å; H80-H130 AromaticContact NE2-CD2 3.41Å; H80-H130 PolarHBondContact NE2-CD2 2.94Å; S128-H130 PolarHBondContact O-ND1 3.24Å; H130-Y132 HydrophobicContact CB-CD2 4.32Å; H130-Y132 HydrophobicContact CB-CE2 3.59Å; H130-Y132 WeakPolarHBondContact O-CD2 3.5Å; H130-T169 WeakPolarHBondContact O-CA 3.32Å; H130-T170 PolarHBondContact N-OG1 3.12Å; H130-T170 PolarHBondContact O-N 3.19Å; H130-T170 PolarHBondContact O-OG1 3.49Å; H130-T170 VanDerWaalsContact O-OG1 3.09Å
131K97.4Very high93Very high63 Ų6330.7 Ų30.727%0.27416%0.155SC..EExtended strand (participates in β ladder)trans-94.2134.7179.7-72.8-179.6-178.41690111.6P57 V58 Y63 F168P57-K131 WeakPolarHBondContact CA-O 3.44Å; V58-K131 HydrophobicContact CB-CB 3.9Å; V58-K131 HydrophobicContact CG2-CB 4.25Å; V58-K131 PolarHBondContact N-O 2.93Å; Y63-K131 HydrophobicContact CD2-CD 4.46Å; Y63-K131 HydrophobicContact CD2-CG 4.15Å; Y63-K131 HydrophobicContact CE1-CD 4.39Å; Y63-K131 HydrophobicContact CE2-CB 4.41Å; Y63-K131 HydrophobicContact CE2-CD 3.7Å; Y63-K131 HydrophobicContact CE2-CG 3.77Å; Y63-K131 VanDerWaalsContact CZ-NZ 3.34Å; Y63-K131 WeakPolarHBondContact OH-CE 3.41Å; Y63-K131 PolarHBondContact OH-NZ 2.93Å; K131-F168 WeakPolarHBondContact CA-O 3.48Å
132Y97.6Very high93.5Very high4 Ų431.7 Ų31.72%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-137.7154.3-177.2-67.1-84000112.4V55 M56 P57 L126 Q127 H130 E167 F168 T170V55-Y132 HydrophobicContact CG1-CD1 4.03Å; V55-Y132 HydrophobicContact CG1-CG 4.02Å; M56-Y132 CarbonylContact O-C 3.52Å; M56-Y132 VanDerWaalsContact O-CA 3.26Å; M56-Y132 WeakPolarHBondContact O-CA 3.44Å; P57-Y132 HydrophobicContact CB-CD1 4.18Å; P57-Y132 HydrophobicContact CB-CE1 4.04Å; L126-Y132 HydrophobicContact CB-CE2 3.96Å; L126-Y132 HydrophobicContact CD1-CD2 4.34Å; L126-Y132 HydrophobicContact CD1-CG 4.5Å; L126-Y132 HydrophobicContact CD2-CD1 3.71Å; L126-Y132 HydrophobicContact CD2-CD2 4.33Å; L126-Y132 HydrophobicContact CD2-CE1 3.6Å; L126-Y132 HydrophobicContact CD2-CE2 4.18Å; L126-Y132 HydrophobicContact CD2-CG 4.09Å; L126-Y132 HydrophobicContact CG-CE2 4.46Å; Q127-Y132 PolarHBondContact N-OH 2.73Å; Q127-Y132 VanDerWaalsContact N-OH 3.12Å; H130-Y132 HydrophobicContact CB-CD2 4.32Å; H130-Y132 HydrophobicContact CB-CE2 3.59Å; H130-Y132 WeakPolarHBondContact O-CD2 3.5Å; Y132-E167 WeakPolarHBondContact O-CA 3.26Å; Y132-F168 PolarHBondContact N-O 3.09Å; Y132-F168 PolarHBondContact O-N 2.59Å; Y132-T170 HydrophobicContact CD2-CG2 3.59Å; Y132-T170 HydrophobicContact CE2-CG2 3.71Å
133K97.1Very high93.1Very high42 Ų4230.1 Ų30.118%0.18315%0.153CC..EExtended strand (participates in β ladder)trans-127.7122.7176.6-179.7151.450.8-158.20110.4M56 V58 E167M56-K133 HydrophobicContact CG-CB 4.2Å; M56-K133 PolarHBondContact N-O 3.49Å; M56-K133 PolarHBondContact O-N 3.47Å; V58-K133 HydrophobicContact CG2-CB 3.98Å; K133-E167 HydrophobicContact CB-CG 3.98Å; K133-E167 HydrophobicContact CD-CG 3.77Å; K133-E167 WeakPolarHBondContact CD-OE1 3.35Å; K133-E167 WeakPolarHBondContact CE-OE1 3.17Å; K133-E167 HydrophobicContact CG-CG 4.12Å; K133-E167 IonicContact NZ-OE1 2.67Å; K133-E167 PolarHBondContact NZ-OE1 2.85Å
134P97.6Very high92.1Very high3 Ų339.6 Ų39.62%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-61.3142.9166.3-22.633.9000112.2V36 M53 D54 T166 F168V36-P134 HydrophobicContact CG2-CB 4Å; V36-P134 HydrophobicContact CG2-CG 4Å; M53-P134 HydrophobicContact SD-CB 4.32Å; D54-P134 WeakPolarHBondContact O-CA 3.43Å; P134-T166 WeakPolarHBondContact CD-O 3.35Å; P134-F168 HydrophobicContact CG-CD1 4.42Å; P134-F168 HydrophobicContact CG-CE1 3.87Å
135R96.9Very high90.8Very high68 Ų6843.8 Ų43.826%0.25721%0.208SC..EExtended strand (participates in β ladder)trans-126.3139.4164.8-54.7-171.6-72-168.24.3109.4M53 D54 M56 T160 F161M53-R135 CarbonylContact C-O 3.54Å; M53-R135 WeakPolarHBondContact CA-O 3.49Å; M53-R135 WeakPolarHBondContact CG-O 3.27Å; D54-R135 PolarHBondContact N-O 2.67Å; D54-R135 PolarHBondContact O-N 2.83Å; D54-R135 WeakPolarHBondContact OD1-CB 3.29Å; D54-R135 IonicContact OD1-CZ 3.12Å; D54-R135 IonicContact OD1-NE 3.6Å; D54-R135 PolarHBondContact OD1-NE 2.92Å; D54-R135 IonicContact OD1-NH2 2.77Å; D54-R135 IonicContact OD2-CZ 3.22Å; D54-R135 IonicContact OD2-NE 2.72Å; D54-R135 PolarHBondContact OD2-NE 3.35Å; D54-R135 IonicContact OD2-NH2 2.67Å; D54-R135 PolarHBondContact OD2-NH2 2.69Å; M56-R135 HydrophobicContact CG-CG 4.32Å; M56-R135 VanDerWaalsContact SD-CD 3.55Å; M56-R135 HydrophobicContact SD-CG 4.14Å; R135-T160 HydrophobicContact CB-CG2 4.19Å; R135-F161 CarbonylContact C-O 3.44Å; R135-F161 WeakPolarHBondContact CA-O 3.5Å
136V97.2Very high89.3Confident2 Ų246.7 Ų46.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-105.7129.7172.6-179.30000108.4V36 V38 V51 A52 M53 F107 F161V36-V136 HydrophobicContact CG1-CG2 3.99Å; V38-V136 HydrophobicContact CG1-CG2 4.16Å; V38-V136 HydrophobicContact CG2-CG1 4.24Å; V51-V136 HydrophobicContact CG1-CG1 4.13Å; A52-V136 CarbonylContact O-C 3.42Å; A52-V136 WeakPolarHBondContact O-CA 3.49Å; M53-V136 HydrophobicContact CG-CG2 4.2Å; F107-V136 HydrophobicContact CD2-CG2 4.38Å; F107-V136 HydrophobicContact CE2-CG1 3.92Å; F107-V136 HydrophobicContact CE2-CG2 3.76Å; F107-V136 HydrophobicContact CZ-CG1 4.06Å; F107-V136 HydrophobicContact CZ-CG2 4.42Å; V136-F161 PolarHBondContact N-O 3.24Å; V136-F161 PolarHBondContact O-N 2.67Å
137H95.6Very high87.8Confident0 Ų047.5 Ų47.50%023%0.228CC..EExtended strand (participates in β ladder)trans-113.2131.5-178.3-50-77.4000109.1V51 A52 D54 I139 L153 V158 N159 T160V51-H137 WeakPolarHBondContact CA-O 2.94Å; A52-H137 PolarHBondContact N-O 3.29Å; A52-H137 PolarHBondContact O-N 2.77Å; D54-H137 VanDerWaalsContact CG-NE2 3.29Å; D54-H137 IonicContact OD1-NE2 2.73Å; D54-H137 PolarHBondContact OD1-NE2 2.97Å; D54-H137 IonicContact OD2-NE2 3.43Å; H137-I139 HydrophobicContact CB-CG1 4.3Å; H137-L153 HydrophobicContact CB-CD2 3.85Å; H137-L153 WeakPolarHBondContact CE1-CD1 3.48Å; H137-L153 WeakPolarHBondContact ND1-CD1 3.47Å; H137-V158 HydrophobicContact CB-CG1 4.12Å; H137-N159 WeakPolarHBondContact CA-O 3.48Å; H137-T160 VanDerWaalsContact CE1-CG2 3.49Å; H137-T160 WeakPolarHBondContact CE1-CG2 3.17Å; H137-T160 WeakPolarHBondContact ND1-CG2 3.23Å; H137-T160 PolarHBondContact ND1-OG1 2.99Å
138I95.3Very high85.9Confident0 Ų050.6 Ų50.60%025%0.254CS..EExtended strand (participates in β ladder)trans-113.9110.6172.3-48.5-179.1000106.7V3 V40 L43 Y49 V51 N159 F161V3-I138 HydrophobicContact CG1-CD1 4.05Å; V40-I138 HydrophobicContact CB-CD1 4.27Å; V40-I138 HydrophobicContact CG1-CD1 3.58Å; V40-I138 HydrophobicContact CG2-CD1 3.6Å; L43-I138 HydrophobicContact CD2-CG2 3.94Å; Y49-I138 HydrophobicContact CD1-CG2 3.98Å; Y49-I138 HydrophobicContact CG-CG2 4.29Å; V51-I138 HydrophobicContact CG2-CG1 4.45Å; V51-I138 HydrophobicContact CG2-CG2 4.24Å; I138-N159 HydrophobicContact CB-CB 4.41Å; I138-N159 PolarHBondContact N-O 3.1Å; I138-N159 PolarHBondContact O-N 3.23Å; I138-F161 HydrophobicContact CD1-CD2 4.19Å; I138-F161 HydrophobicContact CD1-CE2 3.66Å; I138-F161 HydrophobicContact CG1-CD2 4.3Å; I138-F161 HydrophobicContact CG1-CE2 3.99Å
139I92.8Very high83.9Confident4 Ų456.4 Ų56.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-109.4120.8-169.6-52.3172.1000107Y49 Y50 H137 H141 L147 L153 P154 V158Y49-I139 CarbonylContact C-O 3.51Å; Y49-I139 VanDerWaalsContact CA-O 3.25Å; Y49-I139 WeakPolarHBondContact CA-O 3.46Å; Y50-I139 PolarHBondContact N-O 3.39Å; Y50-I139 PolarHBondContact O-N 3.11Å; H137-I139 HydrophobicContact CB-CG1 4.3Å; I139-H141 PolarHBondContact O-N 3.25Å; I139-L147 HydrophobicContact CB-CD1 4.39Å; I139-L147 HydrophobicContact CD1-CD1 3.97Å; I139-L147 HydrophobicContact CG2-CD1 4.09Å; I139-L153 HydrophobicContact CD1-CD2 3.8Å; I139-L153 HydrophobicContact CG1-CD2 4.45Å; I139-P154 HydrophobicContact CG2-CG 3.86Å; I139-V158 HydrophobicContact CG1-CG1 4.25Å; I139-V158 HydrophobicContact CG1-CG2 4.15Å; I139-V158 HydrophobicContact CG2-CG2 4.24Å
140Q91Very high82Confident94 Ų9457.3 Ų57.344%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-65.4132.7172.6-174.6166.3-1400110.1Q47 Y49 D142 G157Q47-Q140 VanDerWaalsContact CD-NE2 3.32Å; Q47-Q140 HydrophobicContact CG-CG 3.77Å; Y49-Q140 HydrophobicContact CD1-CB 4.12Å; Y49-Q140 HydrophobicContact CE1-CB 4.02Å; Y49-Q140 HydrophobicContact CE1-CG 4.2Å; Q140-D142 PolarHBondContact O-N 3.26Å; Q140-G157 PolarHBondContact N-O 2.9Å; Q140-G157 VanDerWaalsContact N-O 3.08Å
141H85.5Confident80.1Confident34 Ų3465.8 Ų65.816%0.15732%0.322CS..  trans-75.4111174.7-179.8-156.4000109.9Q47 Q48 Y50 I139Q47-H141 PolarHBondContact NE2-O 2.98Å; Q48-H141 HydrophobicContact CB-CB 3.83Å; Q48-H141 WeakPolarHBondContact O-CB 3.35Å; Q48-H141 PolarHBondContact O-N 3.29Å; Q48-H141 PolarHBondContact OE1-CE1 3.22Å; Q48-H141 PolarHBondContact OE1-ND1 3.2Å; Y50-H141 HydrophobicContact CD2-CB 4.12Å; Y50-H141 HydrophobicContact CE2-CB 3.89Å; Y50-H141 AromaticContact CE2-CD2 3.63Å; Y50-H141 AromaticContact CE2-CG 3.75Å; I139-H141 PolarHBondContact O-N 3.25Å
142D81.4Confident78.5Confident64 Ų6467 Ų6734%0.34234%0.339SS..  trans-87.8122.7156.4179.2-7.6000107.9Q140 R144 M145Q140-D142 PolarHBondContact O-N 3.26Å; D142-R144 PolarHBondContact O-N 2.99Å; D142-R144 WeakPolarHBondContact OD1-CB 3.39Å; D142-R144 WeakPolarHBondContact OD1-CG 3.21Å; D142-R144 PolarHBondContact OD1-N 2.82Å; D142-M145 HydrophobicContact CB-CB 4.28Å; D142-M145 HydrophobicContact CB-CG 4.14Å; D142-M145 PolarHBondContact O-N 3.35Å
143P71Confident77.2Confident115 Ų11569.3 Ų69.375%0.74735%0.351SS*.THydrogen-bonded Turntrans-55.8-11.1174.4-26.736000115.6
144R69.7Low76Confident215 Ų21569.1 Ų69.181%0.81135%0.354SS*.THydrogen-bonded Turntrans-87.3-8.2173.4-58.4166.7175.7172.5-1113.7D142D142-R144 PolarHBondContact O-N 2.99Å; D142-R144 WeakPolarHBondContact OD1-CB 3.39Å; D142-R144 WeakPolarHBondContact OD1-CG 3.21Å; D142-R144 PolarHBondContact OD1-N 2.82Å
145M66.4Low74.4Confident92 Ų9274.5 Ų74.545%0.45340%0.399SS..  trans-118.792.3-173.2-69.6-70.2139.100111.1D142 L147 I150D142-M145 HydrophobicContact CB-CB 4.28Å; D142-M145 HydrophobicContact CB-CG 4.14Å; D142-M145 PolarHBondContact O-N 3.35Å; M145-L147 PolarHBondContact O-N 3.17Å; M145-L147 VanDerWaalsContact O-N 3.14Å; M145-I150 HydrophobicContact SD-CD1 4.4Å
146D62.8Low73.2Confident76 Ų7679.7 Ų79.741%0.40643%0.426SS..  trans-71.6103.9169.7176.217.2000110.5S148 Q149D146-S148 PolarHBondContact O-N 2.86Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 3.29Å; D146-S148 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact OD1-OG 2.79Å; D146-S148 VanDerWaalsContact OD1-OG 3.12Å; D146-S148 PolarHBondContact OD2-OG 3.05Å; D146-Q149 PolarHBondContact O-N 2.95Å; D146-Q149 PolarHBondContact OD2-NE2 2.86Å
147L63.3Low72.4Confident22 Ų2281 Ų8112%0.11544%0.441CS..G310 helixtrans-65.7-10.3178.6-60.2-154.8000113.5Y50 I139 M145 Q149 I150Y50-L147 HydrophobicContact CD1-CB 4.23Å; Y50-L147 HydrophobicContact CD1-CD1 3.7Å; Y50-L147 HydrophobicContact CD1-CG 4.15Å; Y50-L147 HydrophobicContact CD2-CD1 3.4Å; Y50-L147 VanDerWaalsContact CD2-CD1 3.4Å; Y50-L147 HydrophobicContact CD2-CG 3.79Å; Y50-L147 HydrophobicContact CE1-CB 3.97Å; Y50-L147 HydrophobicContact CE1-CD1 4.16Å; Y50-L147 HydrophobicContact CE1-CG 4.08Å; Y50-L147 HydrophobicContact CE2-CB 4.44Å; Y50-L147 HydrophobicContact CE2-CD1 3.89Å; Y50-L147 HydrophobicContact CE2-CG 3.71Å; Y50-L147 HydrophobicContact CG-CD1 3.3Å; Y50-L147 HydrophobicContact CG-CG 4.02Å; I139-L147 HydrophobicContact CB-CD1 4.39Å; I139-L147 HydrophobicContact CD1-CD1 3.97Å; I139-L147 HydrophobicContact CG2-CD1 4.09Å; M145-L147 PolarHBondContact O-N 3.17Å; M145-L147 VanDerWaalsContact O-N 3.14Å; L147-Q149 PolarHBondContact O-N 3.33Å; L147-I150 HydrophobicContact CD2-CD1 3.69Å; L147-I150 HydrophobicContact CD2-CG1 4.3Å; L147-I150 PolarHBondContact O-N 3.1Å
148S55.1Low72.1Confident99 Ų9982.8 Ų82.869%0.69245%0.451SS*.G310 helixtrans-61.2-24.3173.889.50000112.8D146D146-S148 PolarHBondContact O-N 2.86Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 3.29Å; D146-S148 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact OD1-OG 2.79Å; D146-S148 VanDerWaalsContact OD1-OG 3.12Å; D146-S148 PolarHBondContact OD2-OG 3.05Å
149Q53.2Low72Confident153 Ų15385.4 Ų85.472%0.71547%0.465SS*.G310 helixtrans-98.3-7-177-53.1-175.323.800113.2D146 L147 Q151D146-Q149 PolarHBondContact O-N 2.95Å; D146-Q149 PolarHBondContact OD2-NE2 2.86Å; L147-Q149 PolarHBondContact O-N 3.33Å; Q149-Q151 PolarHBondContact O-N 2.82Å
150I57.8Low72.2Confident49 Ų4988.5 Ų88.525%0.25148%0.484SS..  trans-92.1103.6-165.7-64.5-157.4000111.9M145 L147 S152M145-I150 HydrophobicContact SD-CD1 4.4Å; L147-I150 HydrophobicContact CD2-CD1 3.69Å; L147-I150 HydrophobicContact CD2-CG1 4.3Å; L147-I150 PolarHBondContact O-N 3.1Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 WeakPolarHBondContact CG2-O 3.39Å
151Q57Low72.5Confident182 Ų18285.8 Ų85.885%0.8547%0.471SS*.SBendtrans-74.7-15.9173.6-65.3-173.7-4.100113.9Q149Q149-Q151 PolarHBondContact O-N 2.82Å
152S64.3Low73Confident89 Ų8986.9 Ų86.962%0.62248%0.483SS*.SBendtrans-146.8132.2-173.557.80000111.5I150I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 WeakPolarHBondContact CG2-O 3.39Å
153L70.4Confident73.8Confident52 Ų5285.4 Ų85.427%0.27247%0.473SS..  trans-44.8135.4-178.1-63.4163.5000113L87 H137 I139 V158L87-L153 HydrophobicContact CD1-CD2 3.86Å; L87-L153 HydrophobicContact CD1-CG 4.49Å; L87-L153 HydrophobicContact CD2-CD2 3.8Å; L87-L153 HydrophobicContact CD2-CG 4.47Å; H137-L153 HydrophobicContact CB-CD2 3.85Å; H137-L153 WeakPolarHBondContact CE1-CD1 3.48Å; H137-L153 WeakPolarHBondContact ND1-CD1 3.47Å; I139-L153 HydrophobicContact CD1-CD2 3.8Å; I139-L153 HydrophobicContact CG1-CD2 4.45Å; L153-V158 HydrophobicContact CD2-CG1 4.43Å
154P71.1Confident75Confident38 Ų3883.6 Ų83.625%0.24746%0.462CS..  trans-65.1154.1176.424.8-29.9000111.6I139 E156 V158I139-P154 HydrophobicContact CG2-CG 3.86Å; P154-E156 VanDerWaalsContact C-N 3.32Å; P154-E156 PolarHBondContact O-N 2.97Å; P154-V158 HydrophobicContact CB-CG2 4.5Å; P154-V158 HydrophobicContact CG-CG2 3.63Å; P154-V158 WeakPolarHBondContact O-CG2 3.19Å
155A63.7Low76.4Confident117 Ų11774.9 Ų74.997%0.96743%0.43SS*.SBendtrans-74.3-19.6-173.400000114.3
156E73.2Confident77.9Confident176 Ų17670.5 Ų70.582%0.82241%0.409SS*.SBendtrans-130.2156.2-176.7-169.3165.5-153.800110.2P154 V158P154-E156 VanDerWaalsContact C-N 3.32Å; P154-E156 PolarHBondContact O-N 2.97Å; E156-V158 VanDerWaalsContact C-N 3.26Å; E156-V158 PolarHBondContact O-N 3.26Å
157G79.8Confident79.6Confident31 Ų3168.8 Ų68.832%0.3240%0.398SS..SBendtrans73.45.9179.800000116.1Q140Q140-G157 PolarHBondContact N-O 2.9Å; Q140-G157 VanDerWaalsContact N-O 3.08Å
158V89.6Confident81.3Confident36 Ų3668 Ų6822%0.21839%0.394CS..EExtended strand (participates in β ladder)trans-101.4115.4-179.4-173.90000112H137 I139 L153 P154 E156H137-V158 HydrophobicContact CB-CG1 4.12Å; I139-V158 HydrophobicContact CG1-CG1 4.25Å; I139-V158 HydrophobicContact CG1-CG2 4.15Å; I139-V158 HydrophobicContact CG2-CG2 4.24Å; L153-V158 HydrophobicContact CD2-CG1 4.43Å; P154-V158 HydrophobicContact CB-CG2 4.5Å; P154-V158 HydrophobicContact CG-CG2 3.63Å; P154-V158 WeakPolarHBondContact O-CG2 3.19Å; E156-V158 VanDerWaalsContact C-N 3.26Å; E156-V158 PolarHBondContact O-N 3.26Å
159N93.7Very high83.3Confident55 Ų5563.6 Ų63.629%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-94.7117.3169.4-63.6-98.9000108.7V3 H137 I138 F161V3-N159 HydrophobicContact CB-CB 4.4Å; V3-N159 HydrophobicContact CG1-CB 4.48Å; H137-N159 WeakPolarHBondContact CA-O 3.48Å; I138-N159 HydrophobicContact CB-CB 4.41Å; I138-N159 PolarHBondContact N-O 3.1Å; I138-N159 PolarHBondContact O-N 3.23Å; N159-F161 HydrophobicContact CB-CE2 3.66Å; N159-F161 HydrophobicContact CB-CZ 3.91Å
160T95.5Very high85.5Confident69 Ų6956.3 Ų56.342%0.42333%0.329SS..EExtended strand (participates in β ladder)trans-110.4127.5-176.1-65.10000111.5R135 H137R135-T160 HydrophobicContact CB-CG2 4.19Å; H137-T160 VanDerWaalsContact CE1-CG2 3.49Å; H137-T160 WeakPolarHBondContact CE1-CG2 3.17Å; H137-T160 WeakPolarHBondContact ND1-CG2 3.23Å; H137-T160 PolarHBondContact ND1-OG1 2.99Å
161F97.2Very high87.4Confident37 Ų3754 Ų5416%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-120.7134.4-178.6-56-84.8000110.3V3 A5 R135 V136 I138 N159 F163V3-F161 HydrophobicContact CB-CZ 4.28Å; V3-F161 HydrophobicContact CG1-CE2 4.28Å; V3-F161 HydrophobicContact CG1-CZ 3.94Å; V3-F161 WeakPolarHBondContact O-CZ 2.92Å; A5-F161 HydrophobicContact CB-CB 4.09Å; A5-F161 HydrophobicContact CB-CD1 3.77Å; A5-F161 HydrophobicContact CB-CD2 3.78Å; A5-F161 HydrophobicContact CB-CE1 4.16Å; A5-F161 HydrophobicContact CB-CE2 4.16Å; A5-F161 HydrophobicContact CB-CG 3.57Å; A5-F161 HydrophobicContact CB-CZ 4.34Å; R135-F161 CarbonylContact C-O 3.44Å; R135-F161 WeakPolarHBondContact CA-O 3.5Å; V136-F161 PolarHBondContact N-O 3.24Å; V136-F161 PolarHBondContact O-N 2.67Å; I138-F161 HydrophobicContact CD1-CD2 4.19Å; I138-F161 HydrophobicContact CD1-CE2 3.66Å; I138-F161 HydrophobicContact CG1-CD2 4.3Å; I138-F161 HydrophobicContact CG1-CE2 3.99Å; N159-F161 HydrophobicContact CB-CE2 3.66Å; N159-F161 HydrophobicContact CB-CZ 3.91Å; F161-F163 HydrophobicContact CB-CZ 4.42Å
162S96.6Very high89.4Confident58 Ų5849.4 Ų49.441%0.40630%0.302SS..EExtended strand (participates in β ladder)trans-139.4146.2173.978.70000109.9
163F97.9Very high91Very high32 Ų3247.8 Ų47.814%0.1429%0.294CS..  trans-121.7121.1-174-56.7-78.2000109.3A5 L7 V38 F161 E165 T166A5-F163 HydrophobicContact CB-CZ 4.43Å; L7-F163 HydrophobicContact CB-CD1 3.77Å; L7-F163 HydrophobicContact CB-CD2 4.05Å; L7-F163 HydrophobicContact CB-CE1 3.86Å; L7-F163 HydrophobicContact CB-CE2 4.13Å; L7-F163 HydrophobicContact CB-CG 3.87Å; L7-F163 HydrophobicContact CB-CZ 4.04Å; L7-F163 HydrophobicContact CD1-CD2 4.14Å; L7-F163 HydrophobicContact CD1-CE2 4.49Å; L7-F163 HydrophobicContact CD2-CB 3.96Å; L7-F163 HydrophobicContact CD2-CG 4.1Å; L7-F163 HydrophobicContact CG-CD2 4.46Å; L7-F163 HydrophobicContact CG-CG 4.39Å; V38-F163 HydrophobicContact CG1-CE2 3.83Å; V38-F163 HydrophobicContact CG1-CZ 4.25Å; F161-F163 HydrophobicContact CB-CZ 4.42Å; F163-E165 VanDerWaalsContact C-N 3.25Å; F163-E165 PolarHBondContact O-N 2.88Å; F163-T166 HydrophobicContact CB-CG2 3.92Å; F163-T166 PolarHBondContact O-N 3.5Å; F163-T166 PolarHBondContact O-OG1 2.93Å
164P97.4Very high92.3Very high78 Ų7848.8 Ų48.851%0.50629%0.294SS..G310 helixtrans-56-37.3-177-26.535.6000113.4Y17 T166 E167Y17-P164 WeakPolarHBondContact CD2-O 3.47Å; Y17-P164 VanDerWaalsContact CE2-O 3.23Å; Y17-P164 WeakPolarHBondContact CE2-O 3.39Å; P164-T166 PolarHBondContact O-N 2.79Å; P164-T166 VanDerWaalsContact O-N 3.1Å; P164-E167 WeakPolarHBondContact O-CG 3.29Å; P164-E167 PolarHBondContact O-N 2.87Å
165E97.9Very high93.6Very high31 Ų3148.6 Ų48.615%0.14529%0.29CS..G310 helixtrans-70.2-4178.667.3-96.5-114.800114.7L7 W13 K14 Y17 F163L7-E165 HydrophobicContact CD2-CG 3.65Å; W13-E165 HydrophobicContact CB-CB 4.34Å; W13-E165 HydrophobicContact CB-CG 3.84Å; K14-E165 WeakPolarHBondContact CE-OE1 3.48Å; K14-E165 HydrophobicContact CG-CB 3.96Å; K14-E165 HydrophobicContact CG-CG 4.18Å; Y17-E165 HydrophobicContact CG-CB 4.39Å; F163-E165 VanDerWaalsContact C-N 3.25Å; F163-E165 PolarHBondContact O-N 2.88Å
166T98.4Very high95.3Very high1 Ų143.6 Ų43.61%0.00625%0.247CC..G310 helixtrans-95.32.3174.564.60000114.2L7 W13 P134 F163 P164 F168L7-T166 HydrophobicContact CD1-CG2 3.96Å; L7-T166 HydrophobicContact CD2-CG2 3.67Å; W13-T166 HydrophobicContact CD2-CG2 3.81Å; W13-T166 HydrophobicContact CE3-CG2 3.98Å; W13-T166 HydrophobicContact CG-CG2 4.21Å; W13-T166 HydrophobicContact CH2-CG2 4.4Å; W13-T166 HydrophobicContact CZ2-CG2 4.27Å; W13-T166 HydrophobicContact CZ3-CG2 4.26Å; P134-T166 WeakPolarHBondContact CD-O 3.35Å; F163-T166 HydrophobicContact CB-CG2 3.92Å; F163-T166 PolarHBondContact O-N 3.5Å; F163-T166 PolarHBondContact O-OG1 2.93Å; P164-T166 PolarHBondContact O-N 2.79Å; P164-T166 VanDerWaalsContact O-N 3.1Å; T166-F168 WeakPolarHBondContact O-CD1 3.41Å
167E98.3Very high96.4Very high39 Ų3943.1 Ų43.118%0.18225%0.245CC..  trans-63.3140.8171.9-67.9-170.4-171.800111.9Y17 T21 V58 Y132 K133 P164Y17-E167 HydrophobicContact CD2-CB 4.48Å; Y17-E167 HydrophobicContact CE2-CB 4.2Å; T21-E167 VanDerWaalsContact CB-O 3.29Å; T21-E167 WeakPolarHBondContact CB-O 3.4Å; T21-E167 PolarHBondContact OG1-O 2.97Å; V58-E167 HydrophobicContact CG2-CG 4.16Å; Y132-E167 WeakPolarHBondContact O-CA 3.26Å; K133-E167 HydrophobicContact CB-CG 3.98Å; K133-E167 HydrophobicContact CD-CG 3.77Å; K133-E167 WeakPolarHBondContact CD-OE1 3.35Å; K133-E167 WeakPolarHBondContact CE-OE1 3.17Å; K133-E167 HydrophobicContact CG-CG 4.12Å; K133-E167 IonicContact NZ-OE1 2.67Å; K133-E167 PolarHBondContact NZ-OE1 2.85Å; P164-E167 WeakPolarHBondContact O-CG 3.29Å; P164-E167 PolarHBondContact O-N 2.87Å
168F98.6Very high97.2Very high5 Ų547.4 Ų47.42%0.02226%0.256CS..EExtended strand (participates in β ladder)trans-147.1157.6178.864.4-99.3000113.3T21 M23 M32 V55 L112 L126 K131 Y132 P134 T166 T170T21-F168 HydrophobicContact CG2-CB 3.7Å; T21-F168 CarbonylContact O-C 3.6Å; T21-F168 WeakPolarHBondContact O-CA 3.48Å; T21-F168 WeakPolarHBondContact O-CB 3.44Å; M23-F168 HydrophobicContact CB-CD2 3.57Å; M23-F168 HydrophobicContact CB-CE2 3.79Å; M23-F168 HydrophobicContact CB-CG 4.11Å; M23-F168 HydrophobicContact CB-CZ 4.48Å; M23-F168 HydrophobicContact CE-CD1 4.41Å; M23-F168 HydrophobicContact CG-CB 3.85Å; M23-F168 HydrophobicContact CG-CD1 3.83Å; M23-F168 HydrophobicContact CG-CD2 3.45Å; M23-F168 VanDerWaalsContact CG-CD2 3.45Å; M23-F168 HydrophobicContact CG-CE1 4.2Å; M23-F168 HydrophobicContact CG-CE2 3.85Å; M23-F168 HydrophobicContact CG-CG 3.44Å; M23-F168 VanDerWaalsContact CG-CG 3.44Å; M23-F168 HydrophobicContact CG-CZ 4.21Å; M32-F168 HydrophobicContact SD-CE1 4.25Å; V55-F168 HydrophobicContact CG1-CZ 4.03Å; L112-F168 HydrophobicContact CD1-CE2 3.92Å; L112-F168 HydrophobicContact CD1-CZ 3.72Å; L126-F168 HydrophobicContact CD1-CE2 4.1Å; L126-F168 HydrophobicContact CD1-CZ 4.14Å; K131-F168 WeakPolarHBondContact CA-O 3.48Å; Y132-F168 PolarHBondContact N-O 3.09Å; Y132-F168 PolarHBondContact O-N 2.59Å; P134-F168 HydrophobicContact CG-CD1 4.42Å; P134-F168 HydrophobicContact CG-CE1 3.87Å; T166-F168 WeakPolarHBondContact O-CD1 3.41Å; F168-T170 HydrophobicContact CD2-CG2 4.33Å; F168-T170 HydrophobicContact CE2-CG2 3.8Å
169T98.5Very high97.6Very high7 Ų745.7 Ų45.74%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-96.1131.9167.3-49.90000109.7T21 E22 M23 W72 H130T21-T169 PolarHBondContact O-N 2.95Å; E22-T169 WeakPolarHBondContact CA-O 3.21Å; M23-T169 PolarHBondContact N-O 3.1Å; W72-T169 HydrophobicContact CE3-CG2 4.42Å; W72-T169 HydrophobicContact CH2-CG2 3.68Å; W72-T169 HydrophobicContact CZ2-CG2 4.03Å; W72-T169 HydrophobicContact CZ3-CG2 3.89Å; H130-T169 WeakPolarHBondContact O-CA 3.32Å
170T98.3Very high97.8Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-75.5139.7172.544.70000111.4M23 I25 L126 Q127 M129 H130 Y132 F168M23-T170 WeakPolarHBondContact O-CA 3.33Å; I25-T170 HydrophobicContact CG2-CG2 3.89Å; L126-T170 HydrophobicContact CB-CG2 3.89Å; L126-T170 HydrophobicContact CD1-CG2 3.64Å; L126-T170 HydrophobicContact CG-CG2 4.42Å; Q127-T170 WeakPolarHBondContact O-CB 3.48Å; Q127-T170 PolarHBondContact O-OG1 3.42Å; M129-T170 VanDerWaalsContact CA-O 3.29Å; M129-T170 WeakPolarHBondContact CA-O 3.49Å; M129-T170 PolarHBondContact N-O 3.37Å; M129-T170 PolarHBondContact N-OG1 3.2Å; H130-T170 PolarHBondContact N-OG1 3.12Å; H130-T170 PolarHBondContact O-N 3.19Å; H130-T170 PolarHBondContact O-OG1 3.49Å; H130-T170 VanDerWaalsContact O-OG1 3.09Å; Y132-T170 HydrophobicContact CD2-CG2 3.59Å; Y132-T170 HydrophobicContact CE2-CG2 3.71Å; F168-T170 HydrophobicContact CD2-CG2 4.33Å; F168-T170 HydrophobicContact CE2-CG2 3.8Å
171V98.6Very high97.9Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-144.5153.5178.1-65.50000110.9E22 M23 I24 I25 W72 M129 A173 Y174 Q175E22-V171 HydrophobicContact CB-CG2 4.02Å; E22-V171 HydrophobicContact CG-CG1 4.49Å; M23-V171 PolarHBondContact O-N 3.19Å; I24-V171 CarbonylContact C-O 3.54Å; I24-V171 VanDerWaalsContact CA-O 3.27Å; I24-V171 WeakPolarHBondContact CA-O 3.25Å; I24-V171 HydrophobicContact CD1-CG2 4.05Å; I25-V171 PolarHBondContact N-O 2.88Å; W72-V171 HydrophobicContact CH2-CG1 3.84Å; W72-V171 HydrophobicContact CZ2-CG1 4.28Å; M129-V171 HydrophobicContact SD-CG1 4.09Å; V171-A173 WeakPolarHBondContact CB-O 3.5Å; V171-Y174 HydrophobicContact CG2-CD1 4.28Å; V171-Q175 HydrophobicContact CG1-CG 3.99Å
172T98.2Very high97.9Very high87 Ų8746.6 Ų46.653%0.53425%0.246SC..SBendtrans-85.6-27.8170.3440000112.4S128S128-T172 PolarHBondContact OG-N 3.01Å
173A98.2Very high98Very high55 Ų5544.1 Ų44.146%0.45523%0.228SC..SBendtrans-143.9146.8170.700000108.7V171 Q175V171-A173 WeakPolarHBondContact CB-O 3.5Å; A173-Q175 PolarHBondContact O-NE2 3.07Å
174Y98.5Very high98Very high72 Ų7244.5 Ų44.528%0.28223%0.231SC..  trans-60.3140.9-177.9-65-59.8000111.9E22 I24 V171 I179 T180 K183E22-Y174 HydrophobicContact CB-CD1 3.95Å; E22-Y174 HydrophobicContact CB-CE1 4.28Å; E22-Y174 WeakPolarHBondContact OE2-CA 3.29Å; E22-Y174 WeakPolarHBondContact OE2-CD1 3.32Å; I24-Y174 HydrophobicContact CD1-CD1 4.07Å; I24-Y174 HydrophobicContact CD1-CD2 4.2Å; I24-Y174 HydrophobicContact CD1-CE1 4.09Å; I24-Y174 HydrophobicContact CD1-CE2 4.22Å; I24-Y174 HydrophobicContact CD1-CG 4.12Å; I24-Y174 HydrophobicContact CG1-CD1 4.11Å; I24-Y174 HydrophobicContact CG1-CD2 4.38Å; I24-Y174 HydrophobicContact CG1-CE1 3.61Å; I24-Y174 HydrophobicContact CG1-CE2 3.91Å; I24-Y174 HydrophobicContact CG1-CG 4.47Å; I24-Y174 VanDerWaalsContact CG1-CZ 3.49Å; V171-Y174 HydrophobicContact CG2-CD1 4.28Å; Y174-I179 HydrophobicContact CD1-CG2 4.21Å; Y174-I179 HydrophobicContact CE1-CG2 4.32Å; Y174-T180 WeakPolarHBondContact CB-OG1 3.35Å; Y174-T180 HydrophobicContact CD2-CG2 4.37Å; Y174-K183 HydrophobicContact CE1-CD 4.36Å; Y174-K183 HydrophobicContact CE1-CG 4.12Å; Y174-K183 HydrophobicContact CE2-CG 4.27Å
175Q98.4Very high97.9Very high35 Ų3543.6 Ų43.616%0.16422%0.222CC..  trans-101.4-52.5-179.1-52.8-65.7-78.400110.8E22 Y65 Y67 W72 M129 V171 A173E22-Q175 PolarHBondContact OE1-N 3.49Å; E22-Q175 PolarHBondContact OE2-N 3.42Å; Y65-Q175 HydrophobicContact CD1-CB 3.74Å; Y65-Q175 HydrophobicContact CD2-CB 4.32Å; Y65-Q175 HydrophobicContact CE1-CB 4.44Å; Y65-Q175 HydrophobicContact CG-CB 3.65Å; Y67-Q175 VanDerWaalsContact OH-CD 3.22Å; Y67-Q175 PolarHBondContact OH-OE1 2.81Å; W72-Q175 HydrophobicContact CH2-CB 4.3Å; W72-Q175 HydrophobicContact CH2-CG 3.76Å; W72-Q175 HydrophobicContact CZ2-CB 4.15Å; W72-Q175 HydrophobicContact CZ2-CG 4.08Å; M129-Q175 HydrophobicContact CE-CG 4.42Å; V171-Q175 HydrophobicContact CG1-CG 3.99Å; A173-Q175 PolarHBondContact O-NE2 3.07Å
176N97.6Very high97.9Very high11 Ų1147 Ų476%0.05923%0.233CC..  trans-81.5117.8176.3-173.8-11.2000111.2I19 E22 Y65 Q178 I179 T180I19-N176 VanDerWaalsContact CG2-ND2 3.32Å; I19-N176 WeakPolarHBondContact CG2-ND2 3.48Å; I19-N176 PolarHBondContact O-ND2 3.27Å; E22-N176 WeakPolarHBondContact OE1-CB 3.37Å; E22-N176 PolarHBondContact OE1-N 2.88Å; Y65-N176 HydrophobicContact CE2-CB 4.19Å; N176-Q178 PolarHBondContact ND2-OE1 3.2Å; N176-Q178 PolarHBondContact O-N 2.96Å; N176-Q178 VanDerWaalsContact OD1-CB 3.29Å; N176-Q178 WeakPolarHBondContact OD1-CB 3.48Å; N176-Q178 WeakPolarHBondContact OD1-CG 3.44Å; N176-Q178 PolarHBondContact OD1-N 3.07Å; N176-I179 HydrophobicContact CB-CB 4.43Å; N176-I179 HydrophobicContact CB-CG1 4Å; N176-I179 WeakPolarHBondContact O-CB 3.28Å; N176-I179 PolarHBondContact O-N 3.26Å; N176-I179 VanDerWaalsContact O-N 3.1Å; N176-T180 PolarHBondContact O-N 3.06Å
177Q96.6Very high97.8Very high166 Ų16648.2 Ų48.278%0.77624%0.24SC*.Hα-helixtrans-61.9-28.3177.3-66.3-174.1-5.700113.6I179 T180 K181Q177-I179 VanDerWaalsContact C-N 3.33Å; Q177-T180 WeakPolarHBondContact O-CB 3.42Å; Q177-T180 PolarHBondContact O-N 3.5Å; Q177-K181 PolarHBondContact O-N 3.42Å
178Q97.8Very high97.7Very high121 Ų12150.7 Ų50.757%0.56526%0.259SS*.Hα-helixtrans-64.5-39.2174.6-61.7175.4-29.800111.3I19 N176 L182I19-Q178 HydrophobicContact CG2-CB 3.7Å; N176-Q178 PolarHBondContact ND2-OE1 3.2Å; N176-Q178 PolarHBondContact O-N 2.96Å; N176-Q178 VanDerWaalsContact OD1-CB 3.29Å; N176-Q178 WeakPolarHBondContact OD1-CB 3.48Å; N176-Q178 WeakPolarHBondContact OD1-CG 3.44Å; N176-Q178 PolarHBondContact OD1-N 3.07Å; Q178-L182 WeakPolarHBondContact O-CB 3.3Å; Q178-L182 PolarHBondContact O-N 2.83Å
179I98Very high97.5Very high0 Ų059.7 Ų59.70%030%0.299CS..Hα-helixtrans-62.9-50.5171.6-62.4-68000109.3F16 I19 G20 E22 Y174 N176 Q177 K181 L182 K183F16-I179 HydrophobicContact CD1-CD1 4.01Å; F16-I179 HydrophobicContact CD1-CG2 4.43Å; F16-I179 HydrophobicContact CE1-CG2 4.37Å; I19-I179 HydrophobicContact CB-CD1 3.66Å; I19-I179 HydrophobicContact CB-CG1 4.46Å; I19-I179 HydrophobicContact CG2-CD1 3.47Å; I19-I179 VanDerWaalsContact CG2-CD1 3.47Å; I19-I179 HydrophobicContact CG2-CG1 3.74Å; G20-I179 VanDerWaalsContact O-CD1 3.29Å; G20-I179 WeakPolarHBondContact O-CD1 3.39Å; E22-I179 HydrophobicContact CB-CG2 4.05Å; E22-I179 HydrophobicContact CG-CG1 4.31Å; E22-I179 HydrophobicContact CG-CG2 4.4Å; Y174-I179 HydrophobicContact CD1-CG2 4.21Å; Y174-I179 HydrophobicContact CE1-CG2 4.32Å; N176-I179 HydrophobicContact CB-CB 4.43Å; N176-I179 HydrophobicContact CB-CG1 4Å; N176-I179 WeakPolarHBondContact O-CB 3.28Å; N176-I179 PolarHBondContact O-N 3.26Å; N176-I179 VanDerWaalsContact O-N 3.1Å; Q177-I179 VanDerWaalsContact C-N 3.33Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 2.8Å; I179-L182 PolarHBondContact O-N 3.49Å; I179-L182 VanDerWaalsContact O-N 3.11Å; I179-K183 HydrophobicContact CG2-CD 4.39Å; I179-K183 HydrophobicContact CG2-CG 3.95Å; I179-K183 VanDerWaalsContact O-CG 3.23Å; I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 2.67Å
180T97.4Very high97.2Very high43 Ų4360 Ų6026%0.26430%0.303SS..Hα-helixtrans-51.9-48178.3-57.50000112.1Y174 N176 Q177 K183 I184Y174-T180 WeakPolarHBondContact CB-OG1 3.35Å; Y174-T180 HydrophobicContact CD2-CG2 4.37Å; N176-T180 PolarHBondContact O-N 3.06Å; Q177-T180 WeakPolarHBondContact O-CB 3.42Å; Q177-T180 PolarHBondContact O-N 3.5Å; T180-K183 PolarHBondContact O-N 2.84Å; T180-I184 HydrophobicContact CG2-CD1 4.02Å; T180-I184 WeakPolarHBondContact O-CG1 3.37Å; T180-I184 PolarHBondContact O-N 3.43Å
181K97.2Very high96.9Very high116 Ų11667.4 Ų67.450%0.50433%0.334SS..Hα-helixtrans-61.7-48.5176.1-178162.6-178.6159.60112.1Q177 I179 K183 I184 D185Q177-K181 PolarHBondContact O-N 3.42Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 2.8Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 2.84Å; K181-I184 WeakPolarHBondContact O-CB 3.5Å; K181-I184 PolarHBondContact O-N 3.47Å; K181-D185 WeakPolarHBondContact CG-OD2 3.24Å; K181-D185 WeakPolarHBondContact O-CB 3.47Å; K181-D185 PolarHBondContact O-N 3.25Å
182L97.9Very high96.6Very high21 Ų2171 Ų7111%0.1137%0.372CS..Hα-helixtrans-64.2-32.9178.6-17164.5000112.7R15 F16 I19 Q178 I179 R186R15-L182 HydrophobicContact CB-CD2 4.26Å; R15-L182 WeakPolarHBondContact O-CD2 3.46Å; F16-L182 HydrophobicContact CD1-CD2 3.67Å; F16-L182 HydrophobicContact CD1-CG 4.22Å; F16-L182 HydrophobicContact CD2-CD2 4.15Å; F16-L182 HydrophobicContact CE1-CB 3.82Å; F16-L182 HydrophobicContact CE1-CD2 3.65Å; F16-L182 HydrophobicContact CE1-CG 3.66Å; F16-L182 HydrophobicContact CE2-CD2 4.14Å; F16-L182 HydrophobicContact CE2-CG 4.14Å; F16-L182 HydrophobicContact CG-CD2 3.92Å; F16-L182 HydrophobicContact CZ-CB 4.11Å; F16-L182 HydrophobicContact CZ-CD2 3.89Å; F16-L182 HydrophobicContact CZ-CG 3.61Å; I19-L182 HydrophobicContact CD1-CD2 3.92Å; Q178-L182 WeakPolarHBondContact O-CB 3.3Å; Q178-L182 PolarHBondContact O-N 2.83Å; I179-L182 PolarHBondContact O-N 3.49Å; I179-L182 VanDerWaalsContact O-N 3.11Å; L182-R186 HydrophobicContact CD1-CG 3.68Å; L182-R186 HydrophobicContact CG-CG 4.26Å; L182-R186 VanDerWaalsContact O-CB 3.28Å; L182-R186 WeakPolarHBondContact O-CB 3.43Å; L182-R186 VanDerWaalsContact O-CG 3.26Å; L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.31Å; L182-R186 VanDerWaalsContact O-N 3.13Å
183K98Very high96.2Very high6 Ų674.4 Ų74.43%0.02638%0.379CS..Hα-helixtrans-64.3-45.6170.5-60.8-74.2-170.8-155.30110.5F16 E22 F33 Y174 I179 T180 K181 N187F16-K183 HydrophobicContact CD1-CD 4.46Å; F16-K183 HydrophobicContact CE1-CD 3.55Å; F16-K183 HydrophobicContact CE1-CG 3.89Å; F16-K183 HydrophobicContact CZ-CD 3.76Å; F16-K183 HydrophobicContact CZ-CG 4.26Å; E22-K183 WeakPolarHBondContact O-CE 3.5Å; E22-K183 PolarHBondContact O-NZ 2.89Å; F33-K183 HydrophobicContact CD1-CD 3.92Å; F33-K183 PolarHBondContact O-NZ 3.32Å; Y174-K183 HydrophobicContact CE1-CD 4.36Å; Y174-K183 HydrophobicContact CE1-CG 4.12Å; Y174-K183 HydrophobicContact CE2-CG 4.27Å; I179-K183 HydrophobicContact CG2-CD 4.39Å; I179-K183 HydrophobicContact CG2-CG 3.95Å; I179-K183 VanDerWaalsContact O-CG 3.23Å; I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 2.67Å; T180-K183 PolarHBondContact O-N 2.84Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 2.84Å; K183-N187 WeakPolarHBondContact O-CB 3.26Å; K183-N187 PolarHBondContact O-N 2.59Å
184I97.1Very high96Very high40 Ų4075.8 Ų75.821%0.20537%0.373CS..Hα-helixtrans-61.1-51.3178.1-73.3167.4000111.1T180 K181 R186 F193 R194T180-I184 HydrophobicContact CG2-CD1 4.02Å; T180-I184 WeakPolarHBondContact O-CG1 3.37Å; T180-I184 PolarHBondContact O-N 3.43Å; K181-I184 WeakPolarHBondContact O-CB 3.5Å; K181-I184 PolarHBondContact O-N 3.47Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.41Å; I184-F193 HydrophobicContact CD1-CB 4.09Å; I184-F193 HydrophobicContact CG1-CB 4.07Å; I184-F193 HydrophobicContact CG2-CB 4.01Å; I184-F193 WeakPolarHBondContact CG2-O 3.28Å; I184-R194 HydrophobicContact CG2-CB 4.32Å; I184-R194 HydrophobicContact CG2-CG 3.62Å; I184-R194 PolarHBondContact O-NE 2.79Å; I184-R194 PolarHBondContact O-NH2 3.11Å
185D96.8Very high95Very high60 Ų6078.9 Ų78.932%0.32139%0.394SS..Hα-helixtrans-64.3-32-176.8-70.2-18.9000113.3K181 R194K181-D185 WeakPolarHBondContact CG-OD2 3.24Å; K181-D185 WeakPolarHBondContact O-CB 3.47Å; K181-D185 PolarHBondContact O-N 3.25Å; D185-R194 PolarHBondContact O-NE 3.32Å; D185-R194 PolarHBondContact O-NH1 2.84Å; D185-R194 PolarHBondContact O-NH2 2.88Å; D185-R194 VanDerWaalsContact O-NH2 3.08Å
186R97.1Very high93.1Very high102 Ų10282.9 Ų82.939%0.38542%0.423SS..Hα-helixtrans-107.3-27.5-171.6-54.5-58.7-179.896.1-4.9114.3L12 F33 L182 I184 P188L12-R186 HydrophobicContact CD1-CB 4.07Å; L12-R186 HydrophobicContact CD1-CG 3.9Å; F33-R186 HydrophobicContact CE1-CB 4.01Å; F33-R186 VanDerWaalsContact CZ-C 3.45Å; F33-R186 HydrophobicContact CZ-CB 4Å; F33-R186 WeakPolarHBondContact CZ-O 3.4Å; L182-R186 HydrophobicContact CD1-CG 3.68Å; L182-R186 HydrophobicContact CG-CG 4.26Å; L182-R186 VanDerWaalsContact O-CB 3.28Å; L182-R186 WeakPolarHBondContact O-CB 3.43Å; L182-R186 VanDerWaalsContact O-CG 3.26Å; L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.31Å; L182-R186 VanDerWaalsContact O-N 3.13Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.41Å; R186-P188 WeakPolarHBondContact O-CD 3.41Å
187N96.7Very high91.4Very high27 Ų2785.4 Ų85.414%0.14445%0.452CS..  trans-79.1121.3178.7-172.2-16.3000110.7F33 K183 F189 A190 R194F33-N187 HydrophobicContact CD1-CB 3.87Å; F33-N187 HydrophobicContact CD2-CB 3.96Å; F33-N187 HydrophobicContact CE1-CB 3.79Å; F33-N187 HydrophobicContact CE2-CB 3.88Å; F33-N187 HydrophobicContact CG-CB 3.97Å; F33-N187 VanDerWaalsContact CZ-CA 3.44Å; F33-N187 HydrophobicContact CZ-CB 3.81Å; K183-N187 WeakPolarHBondContact O-CB 3.26Å; K183-N187 PolarHBondContact O-N 2.59Å; N187-F189 PolarHBondContact O-N 2.98Å; N187-F189 WeakPolarHBondContact OD1-CB 3.42Å; N187-F189 WeakPolarHBondContact OD1-CD2 3.37Å; N187-F189 PolarHBondContact OD1-N 2.8Å; N187-A190 HydrophobicContact CB-CB 4Å; N187-A190 PolarHBondContact O-N 3.26Å; N187-R194 PolarHBondContact O-NH2 3.28Å
188P95.3Very high89.5Confident90 Ų9089.2 Ų89.258%0.58446%0.46SS*.G310 helixtrans-57.3-37.4176.4-25.135.4000113R186 A190 K191R186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-A190 PolarHBondContact O-N 3.28Å; P188-K191 WeakPolarHBondContact O-CB 3.37Å; P188-K191 PolarHBondContact O-N 3.21Å
189F94.3Very high87.3Confident194 Ų19491 Ų9185%0.85147%0.473SS*.G310 helixtrans-72.6-7.1179.5-57-73.1000113.8N187N187-F189 PolarHBondContact O-N 2.98Å; N187-F189 WeakPolarHBondContact OD1-CB 3.42Å; N187-F189 WeakPolarHBondContact OD1-CD2 3.37Å; N187-F189 PolarHBondContact OD1-N 2.8Å
190A94Very high85Confident15 Ų15100.5 Ų100.512%0.12451%0.509CS..G310 helixtrans-104.87.5174.600000113.2N187 P188 G192 F193N187-A190 HydrophobicContact CB-CB 4Å; N187-A190 PolarHBondContact O-N 3.26Å; P188-A190 PolarHBondContact O-N 3.28Å; A190-G192 PolarHBondContact O-N 2.83Å; A190-G192 VanDerWaalsContact O-N 3.09Å; A190-F193 PolarHBondContact O-N 2.99Å
191K91.5Very high82.8Confident154 Ų154102 Ų10267%0.6753%0.533SS*.G310 helixtrans-52.3-35.4-175.7-175.6-178175.9-173.60113.8P188 F193 R194P188-K191 WeakPolarHBondContact O-CB 3.37Å; P188-K191 PolarHBondContact O-N 3.21Å; K191-F193 PolarHBondContact O-N 2.88Å; K191-R194 PolarHBondContact O-N 2.6Å
192G91.9Very high80.6Confident76 Ų76102.2 Ų102.278%0.78454%0.543SS*.G310 helixtrans-68.3-10.4178.900000115.7A190A190-G192 PolarHBondContact O-N 2.83Å; A190-G192 VanDerWaalsContact O-N 3.09Å
193F90.4Very high78.1Confident158 Ų158107.8 Ų107.869%0.69357%0.573SS**G310 helixtrans-102.5-0.7175.7-61.6-77.9000113.4I184 A190 K191I184-F193 HydrophobicContact CD1-CB 4.09Å; I184-F193 HydrophobicContact CG1-CB 4.07Å; I184-F193 HydrophobicContact CG2-CB 4.01Å; I184-F193 WeakPolarHBondContact CG2-O 3.28Å; A190-F193 PolarHBondContact O-N 2.99Å; K191-F193 PolarHBondContact O-N 2.88Å
194R92.8Very high75.4Confident84 Ų84115.4 Ų115.432%0.31761%0.614SS.*SBendtrans-74.8128.5172.8-61.7174.1-166.4-172.94.5107.7I184 D185 N187 K191 P196I184-R194 HydrophobicContact CG2-CB 4.32Å; I184-R194 HydrophobicContact CG2-CG 3.62Å; I184-R194 PolarHBondContact O-NE 2.79Å; I184-R194 PolarHBondContact O-NH2 3.11Å; D185-R194 PolarHBondContact O-NE 3.32Å; D185-R194 PolarHBondContact O-NH1 2.84Å; D185-R194 PolarHBondContact O-NH2 2.88Å; D185-R194 VanDerWaalsContact O-NH2 3.08Å; N187-R194 PolarHBondContact O-NH2 3.28Å; K191-R194 PolarHBondContact O-N 2.6Å; R194-P196 VanDerWaalsContact O-CD 3.27Å; R194-P196 WeakPolarHBondContact O-CD 3.41Å
195D78.3Confident72.8Confident137 Ų137116.8 Ų116.873%0.73364%0.637SS**  trans-44.7109.3-169.8-67.3-56.7000112.7G197D195-G197 PolarHBondContact O-N 2.95Å
196P59.2Low70.5Confident119 Ų119121.9 Ų121.977%0.77366%0.664SS**  trans-80.460.2179.934.1-35.2000109.9R194 R198R194-P196 VanDerWaalsContact O-CD 3.27Å; R194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-R198 PolarHBondContact O-N 3.2Å
197G60.3Low67.9Low65 Ų65123.7 Ų123.767%0.6768%0.68SS**THydrogen-bonded Turntrans-56.3132.4-178.500000111.6D195D195-G197 PolarHBondContact O-N 2.95Å
198R58.1Low64.9Low246 Ų246129.7 Ų129.793%0.92871%0.708SS**THydrogen-bonded Turntrans68.743.9166.7-156.5-177.8177.7-176.8-1.1116.3P196P196-R198 PolarHBondContact O-N 3.2Å
199N51.4Low62.2Low158 Ų158130.7 Ų130.785%0.84572%0.717SS**  trans-136.846.1161.1-98.5-41.3000114.2
200R50.3Low59.1Low200 Ų200131.9 Ų131.976%0.75572%0.717SS**  trans-118.762157.3-97.2-168.4175.4-104.33.7110.3V202R200-V202 PolarHBondContact O-N 2.87Å
201G49.6Very low56.8Low75 Ų75136 Ų13677%0.77374%0.742SS**  trans-70.843.2167.300000112.8
202V50.7Low54.4Low119 Ų119140.5 Ų140.572%0.72176%0.755SS**SBendtrans-146.333.2-172.4-156.80000109.8R200R200-V202 PolarHBondContact O-N 2.87Å
203L46.1Very low51.7Low139 Ų139148.4 Ų148.473%0.72876%0.762SS**SBendtrans-143.8-13.9166.5-140.687.3000114G205L203-G205 PolarHBondContact O-N 3.19Å
204D42.4Very low49Very low166 Ų166145.3 Ų145.389%0.88877%0.765SS**THydrogen-bonded Turntrans-80.449.9166.3-63.5-34.8000111.2
205G42.3Very low46.5Very low68 Ų68147.2 Ų147.270%0.70179%0.788SS**THydrogen-bonded Turntrans-140.78.5-171.500000115.4L203L203-G205 PolarHBondContact O-N 3.19Å
206L48.5Very low44.6Very low168 Ų168149.1 Ų149.188%0.8880%0.797SS**SBendtrans-145.512.3-176.6-15073.5000114.9
207L41.5Very low43.4Very low139 Ų139148.6 Ų148.673%0.72880%0.797SS**SBendtrans-148.5131.2174.7-161.461.5000111.2
208E35.1Very low42.3Very low154 Ų154152.8 Ų152.872%0.7280%0.803SS**  trans50.393.9162.2-68164165.500115.8
209S37.2Very low41.2Very low110 Ų110146.4 Ų146.477%0.76979%0.787SS**  cis57.263.235.5-54.20000114.7
210Y30Very low40.5Very low220 Ų220147.6 Ų147.686%0.86379%0.785SS**  trans-164.1157.9147.3-87.3-52.6000110.3
211P46.3Very low39.8Very low100 Ų100145.6 Ų145.665%0.64978%0.782SS**  trans-131.880.7-133.636.5-15.9000114.7
212W39.2Very low38.9Very low249 Ų249147.7 Ų147.794%0.94378%0.782SS**  trans-138.269.3178.6-72.4109.2000115.6
213R35.9Very low38Very low243 Ų243152.1 Ų152.192%0.91779%0.792SS**  trans-163.4142.3134.5-121.1-172.9-71.4-135.32.8111.9
214A33.4Very low37.2Very low93 Ų93150 Ų15077%0.76979%0.789SS**  trans-76.7139.517500000111.3
215P40.5Very low36.7Very low123 Ų123149.9 Ų149.980%0.79979%0.787SS**  trans-87.4121.5174.631.6-28.9000111.3S217P215-S217 PolarHBondContact O-N 3.32Å
216L38Very low36Very low177 Ų177155.1 Ų155.193%0.92779%0.793SS**  trans-76.5102.4159.2-70.9177.8000108
217S34.3Very low35.3Very low109 Ų109155 Ų15576%0.76279%0.792SS**  trans-75.9124.9174.5-170.60000110.4P215P215-S217 PolarHBondContact O-N 3.32Å
218L38.5Very low34.6Very low153 Ų153156.9 Ų156.980%0.80180%0.797SS**  trans-119.4107.1162.4-84.7169.4000107.9
219D33.8Very low34Very low111 Ų111157.9 Ų157.959%0.59480%0.802SS**  trans-75.2123.9-176.5179.920.2000111K221D219-K221 WeakPolarHBondContact OD2-CE 3.36Å; D219-K221 IonicContact OD2-NZ 3.86Å
220F37.1Very low33.6Very low184 Ų184158.8 Ų158.881%0.80780%0.802SS**  trans-125.994.5172-84.3-79.6000109.4
221K34.9Very low33.4Very low158 Ų158152.6 Ų152.669%0.68779%0.791SS**PPolyproline II helixtrans-71.3130.2-179.6-61.5-178.7-173.9178.20111.1D219D219-K221 WeakPolarHBondContact OD2-CE 3.36Å; D219-K221 IonicContact OD2-NZ 3.86Å
222P30.9Very low32.5Very low118 Ų118156.6 Ų156.677%0.76680%0.801SS**PPolyproline II helixtrans-76.1131.7171.731-32.7000110.5
223F31.3Very low31.9Very low212 Ų212148 Ų14893%0.9378%0.782SS**PPolyproline II helixtrans-86.9138.6162.9-95.4-89.8000109.9
224S30.1Very low31.5Very low96 Ų96146.2 Ų146.267%0.67178%0.782SS**  trans-128.3132.1178.8-73.90000111.2
225I32.2Very low31.2Very low163 Ų163145.7 Ų145.784%0.83677%0.772SS**  trans53.6112.2147.1-54166.9000117
226Q27Very low30.8Very low178 Ų178147.1 Ų147.183%0.83277%0.768SS**  -149.2140.7121.4-150.4159.4-9.700111.6
227L33.8Very low30.4Very low166 Ų166146 Ų14687%0.86976%0.763SS**  trans-111127.2167.8-98169.4000107.6
228Q27.7Very low30.1Very low177 Ų177144.1 Ų144.183%0.82776%0.761SS**  trans-154.6151.5154.1-156.9152.19.900110.5
229E23Very low29.7Very low176 Ų176143.8 Ų143.882%0.82277%0.765SS**  trans-84.1163-175.2-59.8160.7104.100112.5
230V27.5Very low29.6Very low128 Ų128144.4 Ų144.478%0.77677%0.773SS**  161.4105118.5163.20000111.3
231S25.6Very low30Very low90 Ų90139.8 Ų139.863%0.62976%0.761SS**  trans56.4147.5136.4-510000125
232H27.5Very low29.7Very low185 Ų185141.1 Ų141.186%0.85677%0.767SS**  trans76.9149.5162-49.1-72.5000118.7
233A27.1Very low29.6Very low67 Ų67140.3 Ų140.355%0.55476%0.764SS**  cis-171.6155.9-30.800000109.6
234F27.6Very low29.6Very low206 Ų206136 Ų13690%0.90476%0.759SS**  trans64.5160.8169.2-59.4-70.5000116.4
235S27.5Very low30.3Very low82 Ų82137.7 Ų137.757%0.57377%0.768SS**  cis-165.1175.1-27.3-176.40000109.8
236H30.7Very low30.2Very low154 Ų154137.6 Ų137.671%0.71377%0.769SS**  trans78.5108.1163-66.5-69000122.5
237N29.9Very low30.4Very low154 Ų154133 Ų13382%0.82476%0.761SS**  41.5135.1111.3-552.5000122
238G27.7Very low30.2Very low68 Ų68129.1 Ų129.170%0.70175%0.753SS**  trans14983.9159.800000112.6
239V30.2Very low30.4Very low147 Ų147128.1 Ų128.189%0.89175%0.753SS**  76.8126.485.6172.40000113.8
240T33.3Very low31Very low124 Ų124129 Ų12976%0.76176%0.757SS**  trans-94.3-163.7175.458.20000109.6
241P44.4Very low31.2Very low86 Ų86127 Ų12756%0.55875%0.753SS**  cis-135.2-156.2-6.325.62.2000113.4
242F29.1Very low31.4Very low187 Ų187130.5 Ų130.582%0.8276%0.764SS**  trans74.2153.4167.2-54.2-56.6000116.7
243S29.1Very low31.5Very low101 Ų101126.9 Ų126.971%0.70676%0.755SS**  cis-158.6166.8-13.8-110.50000110.5
244C30.7Very low32Very low121 Ų121130.7 Ų130.782%0.81877%0.765SS**  trans-71.1158.8165-55.60000111.7
245P44.6Very low32.7Very low132 Ų132127 Ų12786%0.85776%0.762SS**  -119.4-172.7129.637.1-33000112
246D29.1Very low32.9Very low160 Ų160130.2 Ų130.286%0.85677%0.772SS**  trans-131.5170.4-154.8-168.414.5000112.9
247A31.5Very low32.9Very low81 Ų81133.3 Ų133.367%0.66978%0.784SS**  trans76.2136.8150.200000122.6
248A31Very low32.9Very low85 Ų85128.8 Ų128.870%0.70277%0.774SS**  trans88.1110135.800000122.2
249L31.4Very low33Very low156 Ų156135.4 Ų135.482%0.81778%0.783SS**  trans61.5124130-57.5173.8000120.4
250H35.1Very low33.1Very low196 Ų196132.6 Ų132.691%0.90778%0.775SS**  -162158105.6-102.2-74.5000110.8
251A31.2Very low33.1Very low84 Ų84131.4 Ų131.469%0.69477%0.772SS**  trans-138.8-171.7178.400000109.9
252L30.4Very low32.4Very low164 Ų164133.8 Ų133.886%0.85979%0.785SS**  trans84.6140.5-171.1-53.4172.6000113.8
253T29.7Very low32.5Very low110 Ų110129.5 Ų129.568%0.67578%0.784SS**  cis166.2124.6-33.928.80000105.3
254L37.5Very low32.7Very low147 Ų147131 Ų13177%0.7779%0.789SS**  trans46.4155.5148.8-64.7171.8000121.5
255P41.6Very low33.6Very low128 Ų128131 Ų13183%0.83179%0.788SS**  -122.9163.4112.135.8-34.8000113.9
256L33.6Very low33.1Very low149 Ų149129.8 Ų129.878%0.7878%0.782SS**  trans-98.2157-179.7-151.584.2000110.7
257F29.4Very low33.2Very low220 Ų220129.9 Ų129.997%0.96578%0.781SS**  trans-150146.5150-130.4-85.8000111.6
258G30.1Very low33.3Very low59 Ų59130.8 Ų130.861%0.60878%0.782SS**  trans161.5159174.600000114.7
259K30.6Very low34.2Very low206 Ų206131.5 Ų131.590%0.89678%0.78SS**  trans179.9130.7160.6-98.7158.8-176.5-178.80106.4
260A30.9Very low34.3Very low88 Ų88132 Ų13273%0.72778%0.783SS**  77.3143.467.500000112.2
261S33Very low35Very low99 Ų99128.5 Ų128.569%0.69278%0.777SS**  cis-167.1175.67.1-1350000113.4
262T30.8Very low34.8Very low137 Ų137127.8 Ų127.884%0.8478%0.778SS**  trans66.6154.2151.345.50000119.8
263A31.2Very low34.9Very low96 Ų96130.9 Ų130.979%0.79378%0.778SS**  cis-147.1167.9500000114.5
264T33.3Very low34.9Very low132 Ų132131.7 Ų131.781%0.8178%0.783SS**  trans-88.9172.3166.435.30000111.1
265P49Very low34.7Very low123 Ų123134 Ų13480%0.79979%0.787SS**  -152.9-166.557.543.2-18.4000119.7
266S34.2Very low34.2Very low106 Ų106133.1 Ų133.174%0.74178%0.784SS**  trans-58.1176.3-172.846.10000117.1
267I31.8Very low34Very low161 Ų161131.4 Ų131.483%0.82678%0.784SS**  -153172.550.6-68.2173.1000112.4
268S32.8Very low34.2Very low100 Ų100129.6 Ų129.670%0.69978%0.784SS**  trans-109.1-158.2-175.2630000113.1
269P51.4Low34.1Very low101 Ų101130 Ų13066%0.65679%0.789SS**  cis-134.1163.7-37.331-11.8000116.5
270L32.8Very low34.2Very low166 Ų166124.6 Ų124.687%0.86978%0.782SS**  trans64174.2152.1-70.6167.2000119.6
271P48.8Very low34.2Very low122 Ų122128.4 Ų128.479%0.79279%0.79SS**  cis-134.6174.8-4237.2-21.6000115.3
272G27.4Very low34.1Very low69 Ų69126.9 Ų126.971%0.71179%0.79SS**  trans129.7162.9142.100000120.5
273R33.1Very low34.4Very low229 Ų229127.4 Ų127.486%0.86479%0.787SS**  trans66.6128.7-178.9-63.7-177.7-177.4172.91.3115.2
274V28.7Very low34.5Very low127 Ų127132.2 Ų132.277%0.7779%0.79SS**  cis71.1113.117.3-167.30000115.8
275F34Very low34.3Very low196 Ų196129.8 Ų129.886%0.8679%0.791SS**  trans-150.2150.6152.4-117.8-78.7000110.5
276S30.7Very low33.6Very low109 Ų109132.1 Ų132.176%0.76280%0.796SS**  trans-158.7130.6-177.255.40000112.6
277S30Very low34.2Very low113 Ų113132.2 Ų132.279%0.7979%0.794SS**  trans-155.2126.1163.249.10000107.1
278L33.3Very low34.1Very low182 Ų182130.3 Ų130.395%0.95380%0.795SS**  cis8113037.8-153.188.5000113
279G28.3Very low34.2Very low69 Ų69133.3 Ų133.371%0.71180%0.802SS**  trans108.398.2-164.800000110.2
280A32.8Very low33.9Very low91 Ų91133 Ų13375%0.75280%0.8SS**  cis85135.222.200000115.6
281D30.9Very low34.2Very low169 Ų169131.5 Ų131.590%0.90480%0.8SS**  trans61.5138.9179-58.2-35.7000119.1
282G32Very low33.4Very low66 Ų66133 Ų13368%0.6880%0.801SS**  cis169.9179.1-10.500000116.1
283L36.1Very low33.5Very low148 Ų148133.5 Ų133.578%0.77580%0.799SS**  trans81.9110.5155.5-54.1178.7000122.7
284K32.4Very low33.3Very low198 Ų198130.1 Ų130.186%0.86180%0.798SS**  71.7132.5127.9-64.6172.7174.4172.80121.7
285G30.7Very low33.6Very low81 Ų81131.8 Ų131.884%0.83580%0.801SS**  trans15973.6158.400000117.9
286L33.2Very low34.1Very low171 Ų171127.5 Ų127.590%0.89579%0.793SS**  trans-102.6170.2165-82.6118.9000110
287P46.1Very low34.2Very low109 Ų109130.7 Ų130.771%0.70880%0.801SS**  cis-134.1-178.9-27.237.1-20.8000113.2
288S30.8Very low34.2Very low120 Ų120132.4 Ų132.484%0.83980%0.8SS**  trans-152.2149.9144.654.30000112.6
289L35.3Very low33.9Very low163 Ų163128.7 Ų128.785%0.85379%0.79SS**  trans-149.3164.6-178.9-79.4169.1000107.6
290P45.1Very low33.8Very low94 Ų94129.7 Ų129.761%0.6179%0.791SS**  cis-121-150.2-4037.1-20.2000108.9
291P38.6Very low33.7Very low135 Ų135132.2 Ų132.288%0.87779%0.791SS**  -125.6169.910536.8-33.4000113.8
292L31.3Very low33.5Very low153 Ų153132.7 Ų132.780%0.80179%0.788SS**  trans-103.9152.5-163.4-149.383.2000113.1
293A30.1Very low33.3Very low81 Ų81133.2 Ų133.267%0.66979%0.793SS**  trans67.5154.4158.100000117.2
294D29.3Very low33Very low158 Ų158136.3 Ų136.385%0.84580%0.8SS**  cis-117163.48.8-85.4-58.2000115.1
295L35.6Very low32.9Very low162 Ų162136.9 Ų136.985%0.84880%0.803SS**  trans-131.5178.9170.9-73.9170.9000107.7
296P43.5Very low32.9Very low106 Ų106137.8 Ų137.869%0.68879%0.794SS**  -130-178.6-57.139.1-25.6000110.7
297L32.2Very low32.6Very low175 Ų175136.2 Ų136.292%0.91679%0.786SS**  trans-162.9156.2137-113.2163.6000112.1
298L30.5Very low31.8Very low150 Ų150139.7 Ų139.779%0.78579%0.792SS**  trans-116.4139.6-168.2-80.5165.8000112.9
299S26.6Very low31.5Very low104 Ų104138.4 Ų138.473%0.72778%0.782SS**  trans48.9128.4135.4-57.40000122.7
300A27.4Very low31.2Very low90 Ų90142.5 Ų142.574%0.74479%0.786SS**  trans72.8151.2148.800000116.2
301L30.1Very low30.3Very low143 Ų143144 Ų14475%0.74979%0.789SS**  cis-144162.536.4-82.9160.9000115.4
302Q26.6Very low30.6Very low180 Ų180142.5 Ų142.584%0.84178%0.779SS**  trans10146.5144.3-59.8167.8-13.700121.1
303G27.9Very low30.5Very low76 Ų76140.9 Ų140.978%0.78478%0.779SS**  trans12995.1134.100000117.9
304K29.5Very low30.5Very low213 Ų213144.3 Ų144.393%0.92679%0.785SS**  trans-137.9125.6153.5-85.6-169.8175.2179.50111.1
305K29.8Very low30.6Very low210 Ų210144.3 Ų144.391%0.91378%0.78SS**  trans-137.1160.7155.6-100.6-155.1169.5-176.60109
306P30.8Very low30.1Very low100 Ų100148 Ų14865%0.64978%0.783SS**  trans-133.1178.1-140.343.8-28.9000116.3
307L27.6Very low29.5Very low138 Ų138147.4 Ų147.472%0.72378%0.781SS**  trans59.5110.8148.3-74.6159.6000119.8
308H28.3Very low30.3Very low183 Ų183145.4 Ų145.485%0.84778%0.779SS**  -168.9144114.6-104-83.8000107.3
309C25.4Very low30.1Very low93 Ų93141.4 Ų141.463%0.62877%0.774SS**  cis75.672.914.8-540000117.2
310R28.9Very low30.2Very low249 Ų249142.6 Ų142.694%0.9478%0.782SS**  -172.6141107.4-114.6-170.5177.4-147.30.5116.5
311D27.2Very low30.5Very low126 Ų126143.7 Ų143.767%0.67478%0.784SS**  trans-72174.2154.7-85.2-56.2000113.1
312P43.7Very low31.8Very low102 Ų102142.3 Ų142.366%0.66278%0.784SS**  cis-144.5-168.3-2737.5-17.7000114.9
313C29.9Very low32Very low119 Ų119138.8 Ų138.880%0.80478%0.778SS**  trans80.3111.9140.9-81.90000122.6
314L28.7Very low32.2Very low153 Ų153142.6 Ų142.680%0.80178%0.78SS**  trans-65.7173.5137.7-55.1162000109.5
315H32.3Very low32.4Very low158 Ų158138.4 Ų138.473%0.73177%0.772SS**  cis-166.3155.416.4-146.4-50.8000109.4
316R25.1Very low33.6Very low240 Ų240133 Ų13391%0.90676%0.757SS**  155.1132.9125.9-162.2168.2-146164.25.7112.8
317S30.1Very low33.7Very low94 Ų94135.1 Ų135.166%0.65776%0.763SS**  trans-93.6-168.1-177.7-28.90000111.4
318P49.4Very low34.1Very low133 Ų133136 Ų13686%0.86476%0.763SS**  cis-135.8-179.1-7.940.3-23000115.1
319G25.9Very low34.5Very low66 Ų66131.9 Ų131.968%0.6875%0.754SS**  trans165.9126.9158.400000118.3
320S30.1Very low35.7Very low128 Ų128132.2 Ų132.290%0.89576%0.755SS**  trans53.1125.5156.753.10000122.5
321S34.1Very low36.1Very low114 Ų114127.8 Ų127.880%0.79775%0.75SS**  trans-94.5-166165.7-25.80000111.1
322P56.3Low36.5Very low114 Ų114126.8 Ų126.874%0.7475%0.752SS**  cis-134.6-146.7-17.735.3-12.3000112.2
323C31.6Very low37Very low106 Ų106127.4 Ų127.472%0.71676%0.756SS**  trans95.4139.3163.9-59.60000117.4
324L31.7Very low38.2Very low156 Ų156128 Ų12882%0.81776%0.759SS**  cis-152.5169.1-11.8-108.7175.9000110.9
325V34.2Very low38.2Very low125 Ų125124.2 Ų124.276%0.75876%0.757SS**  trans-82.7-160.6-160.5-148.30000114
326P53.7Low38.2Very low95 Ų95122.3 Ų122.362%0.61776%0.762SS**  -118.3-158.6-115.544.9-27.3000114.9
327L33.7Very low38.4Very low145 Ų145115.7 Ų115.776%0.75975%0.752SS**  -174.5131.6115.8-111.7111.6000114.1
328H35.6Very low38.5Very low158 Ų158119.1 Ų119.173%0.73176%0.762SS**  trans39.5158.5136.8-67.6-122.9000122.9
329S35.7Very low37.6Very low95 Ų95120 Ų12066%0.66476%0.759SS**  cis177.2-168.5-18.8-80.90000107.4
330P52Low38.8Very low100 Ų100122 Ų12265%0.64976%0.76SS**  -135.9178.5-72.443.2-27.4000115.9
331L36.3Very low38.8Very low157 Ų157123.6 Ų123.682%0.82275%0.753SS**  trans66147.3148.6-76.2159.1000119
332S36.7Very low38.6Very low104 Ų104126 Ų12673%0.72776%0.756SS**  cis-151.3172.714.3-79.50000112.8
333P53.7Low37.3Very low115 Ų115125.1 Ų125.175%0.74775%0.752SS**  trans-107.8-155.4-171.846.4-38.4000112.6
334P54.8Low37.1Very low131 Ų131127 Ų12785%0.85176%0.755SS**  cis-139.9176-1.542.4-23.3000118.5
335G28.3Very low37Very low74 Ų74125 Ų12576%0.76375%0.749SS**  trans-172.1119.2167.400000115.2
336S32.7Very low36.7Very low119 Ų119124.9 Ų124.983%0.83275%0.749SS**  trans-52.1159.7171.8320000116
337S30.7Very low35.3Very low100 Ų100126.3 Ų126.370%0.69976%0.756SS**  cis-170.8177.75.640.50000113.2
338L32Very low36.1Very low166 Ų166123.6 Ų123.687%0.86975%0.748SS**  trans90.9123.1160.3-57-179.2000119.9
339L30.6Very low35.7Very low153 Ų153126.4 Ų126.480%0.80175%0.753SS**  trans-143.5175.3171-105.9171.4000104.7
340P49.7Very low35.3Very low108 Ų108126.6 Ų126.670%0.70175%0.754SS**  cis-152.4168.338.644.7-23.5000120.2
341H30.6Very low34.1Very low161 Ų161129 Ų12975%0.74576%0.76SS**  trans45.2141.9141.7-88.3-85.3000125.7
342L29.6Very low33.7Very low164 Ų164132.4 Ų132.486%0.85976%0.763SS**  trans-129.1161.7130.4-101.4159.6000109.2
343S29.4Very low33.2Very low96 Ų96132.2 Ų132.267%0.67176%0.762SS**  trans-103.8148.9-174.148.60000112.4
344D27.8Very low32Very low146 Ų146136 Ų13678%0.78176%0.763SS**  62.4130.665.6-100.8-5.4000113.8
345T29.9Very low30.8Very low112 Ų112135.3 Ų135.369%0.68776%0.761SS**  cis-133.1-143.9-1.846.40000110.4
346T27.4Very low31Very low124 Ų124141 Ų14176%0.76177%0.766SS**  cis-158.5-160.910.2-20.70000112.2
347T25.3Very low31.1Very low124 Ų124141.2 Ų141.276%0.76176%0.764SS**  trans-140.9-161.9-176.363.30000110.8
348P48.8Very low31.2Very low89 Ų89144.6 Ų144.658%0.57877%0.773SS**  cis-139.7-174.2-16.328-2.1000116.8
349Y27.3Very low31.3Very low217 Ų217142 Ų14285%0.85177%0.769SS**  trans70.7157.1160.1-59.7-56.9000120
350C27Very low31.8Very low99 Ų99140.8 Ų140.867%0.66977%0.77SS**  cis-157.5157.6-0-131.30000115.1
351L26.9Very low31Very low149 Ų149143.7 Ų143.778%0.7877%0.774SS**  trans37130.3150.3-66.5165.8000124
352Y28Very low31.2Very low229 Ų229143 Ų14390%0.89878%0.775SS**  -167.8-179.7109.4-120.5-90.3000113.1
353S27.9Very low31.3Very low100 Ų100141 Ų14170%0.69977%0.77SS**  trans-112.9167.2-159.653.30000117.2
354Y26.6Very low31.4Very low195 Ų195140.8 Ų140.877%0.76577%0.774SS**  trans-102.5153.5175.2-98.6-84.7000113.1
355S29.6Very low31.9Very low117 Ų117140.8 Ų140.882%0.81877%0.773SS**  trans-143.9135.2165.1-70.40000111.2
356F34.2Very low32.1Very low194 Ų194140.6 Ų140.685%0.85178%0.776SS**  trans-110.8143.2171.5-83.7-86000110.9
357P34.8Very low32.5Very low123 Ų123145.9 Ų145.980%0.79978%0.782SS**PPolyproline II helixtrans-95.4142.2160.19.59.7000111.9
358L32.8Very low33.2Very low171 Ų171149.1 Ų149.190%0.89579%0.788SS**PPolyproline II helixtrans-96157.3168.6-98.5160.3000111.3
359S33.6Very low32.7Very low110 Ų110148.2 Ų148.277%0.76980%0.795SS**PPolyproline II helixtrans-78.6147.5179.6-40.80000113.8
360P40.9Very low33.4Very low128 Ų128147.6 Ų147.683%0.83180%0.797SS**  trans-85.9179.4153.5-12.931.1000112.9
361Q33.5Very low33.8Very low170 Ų170150.9 Ų150.979%0.79481%0.807SS**  trans-129.1167.7-164.3-72-171.5-22.900115.1
362L34.1Very low34.4Very low146 Ų146153 Ų15376%0.76483%0.834SS**  trans68.1155.7154.9-68.8152.5000115.9
363T31.5Very low34.7Very low121 Ų121149.2 Ų149.274%0.74283%0.831SS**  cis-149.5168.93.4-25.50000109.7
364A31.8Very low35.1Very low92 Ų92151.8 Ų151.876%0.7684%0.837SS**  trans144.474.9142.900000116.5
365I37.6Very low35.6Very low147 Ų147149.4 Ų149.475%0.75484%0.842SS**  trans9.3133.4140.8-60.9171.7000119.6R367I365-R367 HydrophobicContact CG2-CG 4.28Å
366S33.6Very low35.9Very low108 Ų108151.3 Ų151.376%0.75584%0.843SS**  trans-90.3149.7161.5172.90000112.7
367R36.6Very low36Very low235 Ų235148.6 Ų148.689%0.88784%0.842SS**  trans-144.6146166.3-78.8-167.6172.4-173.7-1.7112.5I365I365-R367 HydrophobicContact CG2-CG 4.28Å
368H40.6Very low36.1Very low192 Ų192150.3 Ų150.389%0.88985%0.845SS**  trans-130.2143.5171.9-107.3-78.6000109.6
369G38.1Very low36.3Very low70 Ų70148.9 Ų148.972%0.72284%0.842SS**  trans107.2118147.300000119.5
370K41.4Very low36.6Very low204 Ų204151.8 Ų151.889%0.88785%0.847SS**  trans43.4121.7147.1-67-176.1172.3-1760120.6
371L36.6Very low36.2Very low168 Ų168153.8 Ų153.888%0.8885%0.849SS**  -176.1162.4102.2-103.9158.9000111.4
372S39Very low36.4Very low193 Ų193152.4 Ų152.4100%1.3585%0.854SS**  trans72.10-172.6-51.60000114.5

Retrieved 372 of 372 residues in 103.8 ms (Link to these results)

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