A0A5K4FFL2_SCHMA Loading...

Cleavage and polyadenylation specificity factor subunit 2

AlphaFold DB , UniProt , Accession A0A5K4FFL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 926 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
1M41.8Very low82.5Confident202 Ų20240 Ų40100%0.99523%0.225SC*.  0125.60-67.9176-16700104.8T3M1-T3 PolarHBondContact O-N 3.35Å
2A51Low83.3Confident78 Ų7836.8 Ų36.865%0.64521%0.207SC*.  trans-77.4115.5177.300000107
3T70.5Confident83.8Confident40 Ų4034.3 Ų34.325%0.24519%0.194CC..PPolyproline II helixtrans-76125.617540.50000109.7M1 E757 I760M1-T3 PolarHBondContact O-N 3.35Å; T3-E757 HydrophobicContact CG2-CB 4.2Å; T3-E757 HydrophobicContact CG2-CG 3.7Å; T3-E757 VanDerWaalsContact CG2-OE1 3.31Å; T3-E757 WeakPolarHBondContact CG2-OE1 3.22Å; T3-E757 VanDerWaalsContact OG1-CD 3.31Å; T3-E757 PolarHBondContact OG1-OE2 3.24Å; T3-I760 WeakPolarHBondContact O-CD1 3.02Å; T3-I760 WeakPolarHBondContact OG1-CD1 3.44Å
4S84Confident84.1Confident10 Ų1031.9 Ų31.97%0.0718%0.18CC..PPolyproline II helixtrans-73144.5177.9-71.70000112.1D27 K165S4-D27 WeakPolarHBondContact CA-OD1 3.31Å; S4-D27 WeakPolarHBondContact CB-OD1 3.49Å; S4-D27 PolarHBondContact OG-OD1 3.09Å; S4-D27 PolarHBondContact OG-OD2 2.8Å; S4-K165 WeakPolarHBondContact OG-CG 3.36Å
5I88.8Confident83.9Confident28 Ų2832.9 Ų32.914%0.14420%0.201CC..PPolyproline II helixtrans-76.3125.9169.7-60.8172.8000107.7K7 V26 D27 I760I5-K7 HydrophobicContact CG2-CD 4.43Å; I5-K7 HydrophobicContact CG2-CG 4.23Å; I5-V26 CarbonylContact O-C 3.55Å; I5-V26 WeakPolarHBondContact O-CA 3.4Å; I5-D27 PolarHBondContact N-OD1 2.81Å; I5-D27 PolarHBondContact O-N 2.83Å; I5-I760 HydrophobicContact CD1-CG2 3.81Å; I5-I760 HydrophobicContact CG1-CG2 3.82Å
6I93.7Very high83.6Confident11 Ų1133.3 Ų33.36%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-128.2116.7178.8-50.6170.4000108.6L24 Q25 T168 I170 L197 N753 C754 T755I6-L24 HydrophobicContact CG2-CD1 4.07Å; I6-Q25 WeakPolarHBondContact CA-O 3.3Å; I6-T168 HydrophobicContact CD1-CG2 3.46Å; I6-T168 VanDerWaalsContact CD1-CG2 3.46Å; I6-I170 HydrophobicContact CD1-CD1 4.26Å; I6-I170 HydrophobicContact CG1-CD1 4.48Å; I6-I170 HydrophobicContact CG2-CD1 3.92Å; I6-L197 HydrophobicContact CG2-CD2 3.88Å; I6-N753 PolarHBondContact O-OD1 3.35Å; I6-C754 HydrophobicContact CB-CB 4.41Å; I6-C754 HydrophobicContact CG2-CB 4.37Å; I6-C754 PolarHBondContact O-N 3.18Å; I6-T755 PolarHBondContact N-OG1 3.48Å; I6-T755 PolarHBondContact O-OG1 3.19Å
7K95.2Very high83.1Confident49 Ų4936.3 Ų36.321%0.21322%0.216CC..EExtended strand (participates in β ladder)trans-132.3138.8175.3-57.8179.1-173.8168.70110.2I5 Q25 I751 V752 N753I5-K7 HydrophobicContact CG2-CD 4.43Å; I5-K7 HydrophobicContact CG2-CG 4.23Å; K7-Q25 HydrophobicContact CB-CB 4.21Å; K7-Q25 PolarHBondContact N-O 3.07Å; K7-Q25 PolarHBondContact O-N 3.43Å; K7-I751 HydrophobicContact CB-CG2 4.18Å; K7-I751 HydrophobicContact CD-CG2 4.41Å; K7-V752 CarbonylContact C-O 3.49Å; K7-V752 VanDerWaalsContact CA-O 3.26Å; K7-V752 WeakPolarHBondContact CA-O 3.4Å; K7-N753 HydrophobicContact CG-CB 4.37Å
8L97.2Very high83Confident1 Ų134.7 Ų34.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-113.6118.7171.8-170.976.1000108.8T10 L24 L33 I199 I716 I751 V752L8-T10 HydrophobicContact CD2-CG2 4.23Å; L8-L24 HydrophobicContact CD1-CB 4.06Å; L8-L24 HydrophobicContact CD1-CD1 4.21Å; L8-L33 HydrophobicContact CD1-CD1 4.29Å; L8-I199 HydrophobicContact CD1-CD1 3.82Å; L8-I199 HydrophobicContact CD2-CD1 4.06Å; L8-I199 HydrophobicContact CD2-CG1 4.38Å; L8-I199 HydrophobicContact CD2-CG2 4.34Å; L8-I716 HydrophobicContact CB-CD1 3.9Å; L8-I716 HydrophobicContact CD2-CD1 3.64Å; L8-I716 HydrophobicContact CD2-CG2 3.9Å; L8-I716 HydrophobicContact CG-CD1 4.41Å; L8-I751 CarbonylContact O-C 3.57Å; L8-I751 WeakPolarHBondContact O-CA 3.34Å; L8-V752 PolarHBondContact N-O 3.14Å; L8-V752 PolarHBondContact O-N 3.43Å
9H96.2Very high83.4Confident20 Ų2033.2 Ų33.29%0.09320%0.2CC..EExtended strand (participates in β ladder)trans-100118.5171.5-179.6-162.5000109.3L11 Y22 L23 W52 E750 I751H9-L11 WeakPolarHBondContact CE1-CD2 3.43Å; H9-L11 PolarHBondContact O-N 3.03Å; H9-Y22 WeakPolarHBondContact O-CA 3.42Å; H9-L23 HydrophobicContact CB-CB 4.21Å; H9-L23 PolarHBondContact N-O 3.18Å; H9-L23 PolarHBondContact O-N 2.91Å; H9-W52 AromaticContact CE1-NE1 3.82Å; H9-W52 AromaticContact ND1-NE1 3.67Å; H9-E750 WeakPolarHBondContact CA-O 3.49Å; H9-E750 PolarHBondContact CD2-O 3.33Å; H9-I751 HydrophobicContact CB-CG1 3.98Å
10T95.1Very high83.9Confident0 Ų031.9 Ų31.90%019%0.192CC..EExtended strand (participates in β ladder)trans-87.883.1-175.747.80000112.1L8 S12 A14 Y22 P746 H747 R749 E750L8-T10 HydrophobicContact CD2-CG2 4.23Å; T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 2.63Å; T10-A14 HydrophobicContact CG2-CB 3.79Å; T10-Y22 HydrophobicContact CG2-CD1 3.88Å; T10-Y22 HydrophobicContact CG2-CE1 4.17Å; T10-P746 HydrophobicContact CG2-CB 3.7Å; T10-P746 HydrophobicContact CG2-CG 3.62Å; T10-H747 PolarHBondContact OG1-O 3.13Å; T10-R749 WeakPolarHBondContact O-CA 3.41Å; T10-R749 PolarHBondContact O-N 3.18Å; T10-E750 PolarHBondContact N-O 3.01Å; T10-E750 PolarHBondContact OG1-N 3.33Å; T10-E750 PolarHBondContact OG1-O 2.91Å
11L94.1Very high84.4Confident1 Ų130.3 Ų30.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-63.2-37.4-177-58.1171.1000112.3H9 C21 L23 L32 Y45 E48 V49H9-L11 WeakPolarHBondContact CE1-CD2 3.43Å; H9-L11 PolarHBondContact O-N 3.03Å; L11-C21 HydrophobicContact CB-CB 4.46Å; L11-C21 WeakPolarHBondContact CB-O 3.45Å; L11-C21 PolarHBondContact N-O 2.91Å; L11-C21 VanDerWaalsContact N-O 3.11Å; L11-L23 HydrophobicContact CD1-CB 4.23Å; L11-L32 HydrophobicContact CD1-CD1 4.01Å; L11-Y45 HydrophobicContact CB-CD2 4.49Å; L11-Y45 HydrophobicContact CB-CE2 4.4Å; L11-E48 HydrophobicContact CD2-CB 4.31Å; L11-V49 HydrophobicContact CB-CG2 4Å; L11-V49 HydrophobicContact CD1-CB 4.35Å; L11-V49 HydrophobicContact CD1-CG1 4.43Å; L11-V49 HydrophobicContact CD1-CG2 3.75Å; L11-V49 HydrophobicContact CG-CG2 4.39Å
12S92.4Very high87.1Confident2 Ų220.8 Ų20.81%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-162.4159.7175.3164.80000110.5T10 G18 S19 C21 Y22 Y45T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 2.63Å; S12-G18 WeakPolarHBondContact OG-CA 3.45Å; S12-S19 CarbonylContact C-O 3.59Å; S12-S19 WeakPolarHBondContact CB-O 3.39Å; S12-S19 PolarHBondContact OG-N 2.74Å; S12-S19 PolarHBondContact OG-O 3.13Å; S12-C21 PolarHBondContact N-O 2.74Å; S12-C21 PolarHBondContact O-N 3.41Å; S12-C21 VanDerWaalsContact O-N 3.12Å; S12-Y22 WeakPolarHBondContact O-CE1 3.39Å; S12-Y45 VanDerWaalsContact CB-CE2 3.43Å
13G88.7Confident89.3Confident4 Ų417.3 Ų17.34%0.04111%0.106CC..SBendtrans92.812.4174.600000114.9D16 Y22 G719G13-D16 WeakPolarHBondContact CA-OD1 3.48Å; G13-D16 PolarHBondContact N-OD1 2.88Å; G13-Y22 PolarHBondContact O-OH 2.9Å; G13-G719 WeakPolarHBondContact O-CA 3.45Å; G13-G719 PolarHBondContact O-N 3.48Å
14A88.9Confident90.6Very high0 Ų015.4 Ų15.40%010%0.095CC..BIsolated β-bridgetrans-129.4101.7-179.200000110.5T10 D16 Y22 V718 P746 H747 P748T10-A14 HydrophobicContact CG2-CB 3.79Å; A14-D16 PolarHBondContact N-OD1 3.23Å; A14-D16 VanDerWaalsContact N-OD1 3.14Å; A14-D16 PolarHBondContact O-N 3.18Å; A14-Y22 HydrophobicContact CB-CE1 4.32Å; A14-V718 HydrophobicContact CB-CB 4.43Å; A14-V718 HydrophobicContact CB-CG1 4.26Å; A14-P746 HydrophobicContact CB-CG 4.11Å; A14-H747 CarbonylContact O-C 3.6Å; A14-P748 WeakPolarHBondContact O-CD 3.4Å; A14-P748 WeakPolarHBondContact O-CG 3.35Å
15G81.1Confident91.2Very high48 Ų4816.2 Ų16.250%0.49510%0.097SC..SBendtrans75.9-5.3-178.100000114.6G719G15-G719 PolarHBondContact N-O 3.08Å
16D79Confident91.5Very high38 Ų3815 Ų1520%0.2039%0.092CC..SBendtrans-106.4173.2169.758.49.5000111.7G13 A14 G18 N720 P748G13-D16 WeakPolarHBondContact CA-OD1 3.48Å; G13-D16 PolarHBondContact N-OD1 2.88Å; A14-D16 PolarHBondContact N-OD1 3.23Å; A14-D16 VanDerWaalsContact N-OD1 3.14Å; A14-D16 PolarHBondContact O-N 3.18Å; D16-G18 PolarHBondContact O-N 3.06Å; D16-G18 PolarHBondContact OD1-N 2.83Å; D16-N720 WeakPolarHBondContact O-CA 3.19Å; D16-N720 WeakPolarHBondContact O-CB 3.47Å; D16-P748 HydrophobicContact CB-CB 4.33Å; D16-P748 HydrophobicContact CB-CG 3.58Å
17N75Confident91.4Very high85 Ų8516.5 Ų16.546%0.45510%0.099SC..SBendtrans-82.519.4170.7-64.7-39.3000112.1
18G81.5Confident91.1Very high8 Ų820.2 Ų20.28%0.08212%0.118CC..PPolyproline II helixtrans-76.2167.8-175.800000112.9S12 D16S12-G18 WeakPolarHBondContact OG-CA 3.45Å; D16-G18 PolarHBondContact O-N 3.06Å; D16-G18 PolarHBondContact OD1-N 2.83Å
19S89.7Confident91.1Very high5 Ų520.5 Ų20.54%0.03512%0.119CC..PPolyproline II helixtrans-87.3147.9169.7-64.70000109.9S12 C21 W37 R67S12-S19 CarbonylContact C-O 3.59Å; S12-S19 WeakPolarHBondContact CB-O 3.39Å; S12-S19 PolarHBondContact OG-N 2.74Å; S12-S19 PolarHBondContact OG-O 3.13Å; S19-C21 PolarHBondContact O-N 3.35Å; S19-W37 VanDerWaalsContact OG-C 3.24Å; S19-W37 PolarHBondContact OG-O 2.84Å; S19-R67 WeakPolarHBondContact CB-O 3.25Å
20P93.2Very high91.1Very high7 Ų720.7 Ų20.75%0.04512%0.12CC..PPolyproline II helixtrans-50.3123.8177.5-29.235.4000113.1Y22 D34 G36 R67 L174P20-Y22 HydrophobicContact CB-CE2 3.86Å; P20-D34 HydrophobicContact CB-CB 4.29Å; P20-G36 PolarHBondContact O-N 2.92Å; P20-R67 VanDerWaalsContact CD-CG 3.4Å; P20-R67 WeakPolarHBondContact CD-O 3.34Å; P20-R67 HydrophobicContact CG-CG 4.13Å; P20-L174 HydrophobicContact CB-CD1 3.64Å; P20-L174 HydrophobicContact CG-CD1 3.68Å
21C96Very high91.2Very high0 Ų020.7 Ų20.70%012%0.12CC..EExtended strand (participates in β ladder)trans-156.7109.5166.4-171.80000108.7L11 S12 S19 D34 Y45L11-C21 HydrophobicContact CB-CB 4.46Å; L11-C21 WeakPolarHBondContact CB-O 3.45Å; L11-C21 PolarHBondContact N-O 2.91Å; L11-C21 VanDerWaalsContact N-O 3.11Å; S12-C21 PolarHBondContact N-O 2.74Å; S12-C21 PolarHBondContact O-N 3.41Å; S12-C21 VanDerWaalsContact O-N 3.12Å; S19-C21 PolarHBondContact O-N 3.35Å; C21-D34 PolarHBondContact SG-O 2.91Å; C21-D34 VanDerWaalsContact SG-O 3.36Å; C21-Y45 HydrophobicContact CB-CE2 3.61Å; C21-Y45 VanDerWaalsContact CB-OH 3.28Å; C21-Y45 WeakPolarHBondContact CB-OH 3.39Å
22Y97.4Very high91.4Very high2 Ų220.8 Ų20.81%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-127.5138-176-43.9-68.5000110.8H9 T10 S12 G13 A14 P20 L32 L33 Y172 L174 V718H9-Y22 WeakPolarHBondContact O-CA 3.42Å; T10-Y22 HydrophobicContact CG2-CD1 3.88Å; T10-Y22 HydrophobicContact CG2-CE1 4.17Å; S12-Y22 WeakPolarHBondContact O-CE1 3.39Å; G13-Y22 PolarHBondContact O-OH 2.9Å; A14-Y22 HydrophobicContact CB-CE1 4.32Å; P20-Y22 HydrophobicContact CB-CE2 3.86Å; Y22-L32 CarbonylContact O-C 3.6Å; Y22-L33 HydrophobicContact CD2-CB 4.45Å; Y22-L33 PolarHBondContact N-O 2.86Å; Y22-L33 PolarHBondContact O-N 3.33Å; Y22-Y172 AromaticContact CD2-CE2 3.68Å; Y22-Y172 HydrophobicContact CD2-CE2 3.68Å; Y22-Y172 AromaticContact CE2-CE2 3.89Å; Y22-Y172 HydrophobicContact CE2-CE2 3.89Å; Y22-L174 HydrophobicContact CE2-CD1 4.09Å; Y22-V718 HydrophobicContact CE1-CB 4.34Å; Y22-V718 HydrophobicContact CE1-CG1 3.99Å; Y22-V718 HydrophobicContact CE2-CG2 4.33Å; Y22-V718 WeakPolarHBondContact OH-CB 3.25Å; Y22-V718 WeakPolarHBondContact OH-CG2 3.44Å
23L97.9Very high91.7Very high5 Ų520.7 Ų20.73%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-102106.7173.3-175.573000109H9 L11 H30 L32 W52 V56H9-L23 HydrophobicContact CB-CB 4.21Å; H9-L23 PolarHBondContact N-O 3.18Å; H9-L23 PolarHBondContact O-N 2.91Å; L11-L23 HydrophobicContact CD1-CB 4.23Å; L23-H30 HydrophobicContact CD1-CB 4.18Å; L23-L32 HydrophobicContact CB-CD1 4.49Å; L23-L32 HydrophobicContact CD1-CD1 4.24Å; L23-W52 HydrophobicContact CD2-CB 4.29Å; L23-W52 HydrophobicContact CD2-CD2 3.27Å; L23-W52 HydrophobicContact CD2-CE3 3.4Å; L23-W52 VanDerWaalsContact CD2-CE3 3.4Å; L23-W52 HydrophobicContact CD2-CG 3.69Å; L23-W52 HydrophobicContact CD2-CH2 4.11Å; L23-W52 HydrophobicContact CD2-CZ2 4.02Å; L23-W52 HydrophobicContact CD2-CZ3 3.82Å; L23-V56 HydrophobicContact CD1-CG2 3.85Å
24L97.9Very high92.1Very high0 Ų020.5 Ų20.50%012%0.117CC..EExtended strand (participates in β ladder)trans-90.7113.6175.2176.965.3000109.6I6 L8 V26 C31 L33 L163 I170I6-L24 HydrophobicContact CG2-CD1 4.07Å; L8-L24 HydrophobicContact CD1-CB 4.06Å; L8-L24 HydrophobicContact CD1-CD1 4.21Å; L24-V26 HydrophobicContact CD1-CG2 4.45Å; L24-V26 HydrophobicContact CD2-CG2 4.2Å; L24-V26 HydrophobicContact CG-CG2 4.03Å; L24-C31 HydrophobicContact CB-CB 4.4Å; L24-C31 PolarHBondContact N-O 3.26Å; L24-C31 PolarHBondContact O-N 3.19Å; L24-L33 HydrophobicContact CB-CD1 3.82Å; L24-L33 HydrophobicContact CB-CG 4.05Å; L24-L33 HydrophobicContact CD2-CD1 4.13Å; L24-L163 HydrophobicContact CD2-CD1 4.42Å; L24-L163 HydrophobicContact CD2-CD2 3.93Å; L24-I170 HydrophobicContact CD1-CD1 4.41Å; L24-I170 HydrophobicContact CD2-CD1 4.2Å; L24-I170 HydrophobicContact CD2-CG2 4.17Å
25Q96.3Very high92.4Very high26 Ų2620.5 Ų20.512%0.12112%0.117CC..EExtended strand (participates in β ladder)trans-90.4124.9169.5-175.4-176.4-700109.4I6 K7 D27 F29I6-Q25 WeakPolarHBondContact CA-O 3.3Å; K7-Q25 HydrophobicContact CB-CB 4.21Å; K7-Q25 PolarHBondContact N-O 3.07Å; K7-Q25 PolarHBondContact O-N 3.43Å; Q25-D27 WeakPolarHBondContact CG-O 3.47Å; Q25-D27 PolarHBondContact NE2-O 3.13Å; Q25-F29 CarbonylContact C-O 3.55Å; Q25-F29 WeakPolarHBondContact CA-O 3.41Å
26V94.6Very high93Very high4 Ų418.2 Ų18.22%0.0249%0.094CC..EExtended strand (participates in β ladder)trans-122.5107.2167.8-174.20000107.9I5 L24 E28 F29 L145 K165 I170I5-V26 CarbonylContact O-C 3.55Å; I5-V26 WeakPolarHBondContact O-CA 3.4Å; L24-V26 HydrophobicContact CD1-CG2 4.45Å; L24-V26 HydrophobicContact CD2-CG2 4.2Å; L24-V26 HydrophobicContact CG-CG2 4.03Å; V26-E28 PolarHBondContact O-N 2.92Å; V26-F29 PolarHBondContact N-O 3.23Å; V26-F29 VanDerWaalsContact O-CB 3.29Å; V26-F29 WeakPolarHBondContact O-CB 3.23Å; V26-F29 PolarHBondContact O-N 3.3Å; V26-L145 HydrophobicContact CB-CD2 4.44Å; V26-L145 HydrophobicContact CG1-CD1 4.34Å; V26-K165 HydrophobicContact CG1-CB 4.27Å; V26-K165 HydrophobicContact CG1-CG 4.3Å; V26-I170 HydrophobicContact CG2-CD1 3.83Å
27D91Very high93.5Very high41 Ų4116.6 Ų16.622%0.2199%0.085CC..THydrogen-bonded Turntrans56.2-113.8-169.3-56.6-39000111.3S4 I5 Q25 K165S4-D27 WeakPolarHBondContact CA-OD1 3.31Å; S4-D27 WeakPolarHBondContact CB-OD1 3.49Å; S4-D27 PolarHBondContact OG-OD1 3.09Å; S4-D27 PolarHBondContact OG-OD2 2.8Å; I5-D27 PolarHBondContact N-OD1 2.81Å; I5-D27 PolarHBondContact O-N 2.83Å; Q25-D27 WeakPolarHBondContact CG-O 3.47Å; Q25-D27 PolarHBondContact NE2-O 3.13Å; D27-K165 WeakPolarHBondContact OD2-CE 3.47Å; D27-K165 IonicContact OD2-NZ 2.82Å
28E91Very high93.7Very high128 Ų12813.9 Ų13.960%0.5987%0.072SC*.THydrogen-bonded Turntrans-96.2-5.7176.2-60.5-173.1167.600113.2V26 H30V26-E28 PolarHBondContact O-N 2.92Å; E28-H30 PolarHBondContact O-ND1 2.7Å
29F95.4Very high93.2Very high6 Ų616.6 Ų16.63%0.0268%0.083CC..EExtended strand (participates in β ladder)trans-85.5126.7-176.9-173.7-99.6000110.9Q25 V26 C31 D57 A58 L138 R141 G142 L145Q25-F29 CarbonylContact C-O 3.55Å; Q25-F29 WeakPolarHBondContact CA-O 3.41Å; V26-F29 PolarHBondContact N-O 3.23Å; V26-F29 VanDerWaalsContact O-CB 3.29Å; V26-F29 WeakPolarHBondContact O-CB 3.23Å; V26-F29 PolarHBondContact O-N 3.3Å; F29-C31 HydrophobicContact CD1-CB 4.06Å; F29-C31 HydrophobicContact CE1-CB 3.67Å; F29-D57 WeakPolarHBondContact CA-OD2 3.43Å; F29-D57 HydrophobicContact CD2-CB 3.48Å; F29-D57 VanDerWaalsContact CD2-CB 3.48Å; F29-D57 HydrophobicContact CE2-CB 3.21Å; F29-D57 HydrophobicContact CG-CB 4.31Å; F29-D57 HydrophobicContact CZ-CB 3.82Å; F29-A58 HydrophobicContact CE1-CB 4.39Å; F29-A58 HydrophobicContact CZ-CB 3.64Å; F29-L138 HydrophobicContact CE1-CD1 3.77Å; F29-L138 HydrophobicContact CE2-CD1 4.3Å; F29-L138 HydrophobicContact CZ-CD1 3.57Å; F29-R141 HydrophobicContact CD2-CB 4.38Å; F29-G142 VanDerWaalsContact CD2-N 3.35Å; F29-L145 HydrophobicContact CD1-CD2 3.54Å; F29-L145 HydrophobicContact CE1-CD2 3.78Å; F29-L145 HydrophobicContact CG-CD2 4.23Å
30H97Very high92.4Very high24 Ų2423.2 Ų23.211%0.11111%0.111CC..EExtended strand (participates in β ladder)trans-109.2110.2179.7-6776.5000110.1L23 E28 W52 D57L23-H30 HydrophobicContact CD1-CB 4.18Å; E28-H30 PolarHBondContact O-ND1 2.7Å; H30-W52 AromaticContact CD2-CZ3 3.5Å; H30-W52 AromaticContact NE2-CZ3 3.62Å; H30-D57 PolarHBondContact N-OD2 2.84Å; H30-D57 PolarHBondContact O-N 3.35Å
31C97.6Very high91.7Very high1 Ų124.7 Ų24.71%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-108.2121.2-178.6-166.20000110.5L24 F29 A58L24-C31 HydrophobicContact CB-CB 4.4Å; L24-C31 PolarHBondContact N-O 3.26Å; L24-C31 PolarHBondContact O-N 3.19Å; F29-C31 HydrophobicContact CD1-CB 4.06Å; F29-C31 HydrophobicContact CE1-CB 3.67Å; C31-A58 CarbonylContact C-O 3.51Å; C31-A58 WeakPolarHBondContact CA-O 3.22Å
32L98.2Very high91Very high2 Ų227.6 Ų27.61%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-85.1117.4172.5-165.569.9000109.1L11 Y22 L23 C35 V56 A58 V59 L60 L75L11-L32 HydrophobicContact CD1-CD1 4.01Å; Y22-L32 CarbonylContact O-C 3.6Å; L23-L32 HydrophobicContact CB-CD1 4.49Å; L23-L32 HydrophobicContact CD1-CD1 4.24Å; L32-C35 HydrophobicContact CD2-CB 4.04Å; L32-V56 HydrophobicContact CB-CG1 3.89Å; L32-V56 HydrophobicContact CB-CG2 4.33Å; L32-A58 PolarHBondContact N-O 3.19Å; L32-V59 HydrophobicContact CB-CB 4.49Å; L32-V59 HydrophobicContact CB-CG1 4.36Å; L32-V59 HydrophobicContact CB-CG2 4.07Å; L32-V59 HydrophobicContact CD2-CG2 4.24Å; L32-V59 CarbonylContact O-C 3.5Å; L32-V59 VanDerWaalsContact O-CA 3.3Å; L32-V59 WeakPolarHBondContact O-CA 3.47Å; L32-L60 PolarHBondContact O-N 3.16Å; L32-L75 HydrophobicContact CD2-CD1 3.93Å
33L98.3Very high90.5Very high0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-95.8106.5175.8-52.9179.6000108.2L8 Y22 L24 L60 Y172 I199L8-L33 HydrophobicContact CD1-CD1 4.29Å; Y22-L33 HydrophobicContact CD2-CB 4.45Å; Y22-L33 PolarHBondContact N-O 2.86Å; Y22-L33 PolarHBondContact O-N 3.33Å; L24-L33 HydrophobicContact CB-CD1 3.82Å; L24-L33 HydrophobicContact CB-CG 4.05Å; L24-L33 HydrophobicContact CD2-CD1 4.13Å; L33-L60 HydrophobicContact CD2-CB 4.13Å; L33-L60 HydrophobicContact CD2-CD1 3.78Å; L33-L60 HydrophobicContact CD2-CG 4.21Å; L33-Y172 HydrophobicContact CB-CD1 4.49Å; L33-Y172 HydrophobicContact CB-CD2 4.43Å; L33-Y172 HydrophobicContact CB-CE1 4.13Å; L33-Y172 HydrophobicContact CB-CE2 4.07Å; L33-Y172 HydrophobicContact CD1-CD2 3.74Å; L33-Y172 HydrophobicContact CD1-CE2 4.1Å; L33-Y172 HydrophobicContact CD1-CG 3.99Å; L33-I199 HydrophobicContact CD1-CD1 4.11Å
34D97.7Very high90Very high0 Ų033.6 Ų33.60%017%0.171CC..  trans54.9159.8-172-64.2-48.2000114.7P20 C21 L60 L61 S62 H68 Y172P20-D34 HydrophobicContact CB-CB 4.29Å; C21-D34 PolarHBondContact SG-O 2.91Å; C21-D34 VanDerWaalsContact SG-O 3.36Å; D34-L60 PolarHBondContact N-O 2.92Å; D34-L61 WeakPolarHBondContact OD1-CA 3.41Å; D34-S62 PolarHBondContact OD1-N 2.83Å; D34-S62 PolarHBondContact OD1-OG 3.06Å; D34-S62 WeakPolarHBondContact OD2-CB 3.44Å; D34-S62 PolarHBondContact OD2-OG 3.35Å; D34-H68 HydrophobicContact CB-CB 4.45Å; D34-H68 WeakPolarHBondContact CB-O 3.32Å; D34-H68 IonicContact OD2-CD2 2.8Å; D34-Y172 VanDerWaalsContact OD2-CE1 3.27Å; D34-Y172 WeakPolarHBondContact OD2-CE1 3.39Å; D34-Y172 PolarHBondContact OD2-OH 2.8Å
35C95.7Very high89.6Confident0 Ų033.8 Ų33.80%017%0.172CC..  trans-148.471.617850.40000109L32 H68 L69 G70 L71 L75L32-C35 HydrophobicContact CD2-CB 4.04Å; C35-H68 CarbonylContact C-O 3.55Å; C35-H68 PolarHBondContact N-O 3.36Å; C35-L69 CarbonylContact O-C 3.57Å; C35-G70 PolarHBondContact O-N 3.26Å; C35-L71 HydrophobicContact CB-CB 4.33Å; C35-L71 VanDerWaalsContact O-CB 3.26Å; C35-L71 WeakPolarHBondContact O-CB 2.98Å; C35-L71 PolarHBondContact O-N 2.96Å; C35-L75 HydrophobicContact CB-CD1 3.75Å
36G93Very high89.3Confident0 Ų033.1 Ų33.10%017%0.17CC..  trans-71.9155.8-174.700000115.7P20 Y45 R67P20-G36 PolarHBondContact O-N 2.92Å; G36-Y45 WeakPolarHBondContact O-CE1 3.19Å; G36-Y45 PolarHBondContact O-OH 3.39Å; G36-R67 VanDerWaalsContact CA-C 3.47Å; G36-R67 WeakPolarHBondContact CA-O 3.3Å
37W89.4Confident89.2Confident5 Ų538.3 Ų38.32%0.01919%0.192CC..  trans-110.8144.8168.4-175.6-69.8000110.3S19 L41 L66 L71 F102 F112 H114 Y115S19-W37 VanDerWaalsContact OG-C 3.24Å; S19-W37 PolarHBondContact OG-O 2.84Å; W37-L41 HydrophobicContact CD2-CD1 3.89Å; W37-L41 HydrophobicContact CE3-CD1 3.92Å; W37-L41 HydrophobicContact CE3-CD2 4.39Å; W37-L41 HydrophobicContact CG-CD1 4.4Å; W37-L41 HydrophobicContact CH2-CB 4.43Å; W37-L41 HydrophobicContact CH2-CD1 4.38Å; W37-L41 HydrophobicContact CH2-CD2 3.58Å; W37-L41 HydrophobicContact CH2-CG 4.36Å; W37-L41 HydrophobicContact CZ2-CB 4Å; W37-L41 HydrophobicContact CZ2-CD1 4.34Å; W37-L41 HydrophobicContact CZ2-CD2 4.02Å; W37-L41 HydrophobicContact CZ2-CG 4.35Å; W37-L41 HydrophobicContact CZ3-CD1 4.17Å; W37-L41 HydrophobicContact CZ3-CD2 3.79Å; W37-L66 HydrophobicContact CB-CD1 3.8Å; W37-L66 HydrophobicContact CB-CG 3.93Å; W37-L66 HydrophobicContact CG-CD1 4.1Å; W37-L66 HydrophobicContact CG-CG 4.36Å; W37-L66 PolarHBondContact N-O 2.84Å; W37-L71 HydrophobicContact CE3-CD1 3.79Å; W37-L71 HydrophobicContact CZ3-CD1 3.99Å; W37-F102 AromaticContact NE1-CZ 3.9Å; W37-F112 HydrophobicContact CH2-CE2 4.1Å; W37-F112 HydrophobicContact CH2-CZ 4.14Å; W37-F112 HydrophobicContact CZ2-CE2 4.17Å; W37-H114 HydrophobicContact CH2-CB 3.82Å; W37-H114 AromaticContact CH2-CD2 3.59Å; W37-H114 AromaticContact CH2-CG 3.57Å; W37-H114 HydrophobicContact CZ3-CB 4.22Å; W37-Y115 HydrophobicContact CE3-CE1 4.36Å; W37-Y115 HydrophobicContact CZ3-CD1 4.42Å; W37-Y115 AromaticContact CZ3-CE1 3.98Å; W37-Y115 HydrophobicContact CZ3-CE1 3.98Å
38C80Confident89.2Confident27 Ų2738 Ų3818%0.18219%0.19CC..  trans-122.8159.3174.261.60000111K40C38-K40 VanDerWaalsContact C-N 3.27Å; C38-K40 PolarHBondContact O-N 2.88Å; C38-K40 VanDerWaalsContact O-N 3.13Å; C38-K40 PolarHBondContact SG-O 3.44Å
39E70.6Confident89.3Confident65 Ų6532.1 Ų32.130%0.30416%0.162SC..SBendtrans-47.3-47.6-171.4-175.9-178.3179.100113.4R106 S372E39-R106 PolarHBondContact O-NH2 2.89Å; E39-R106 VanDerWaalsContact O-NH2 3.14Å; E39-S372 VanDerWaalsContact OE2-CB 3.27Å; E39-S372 WeakPolarHBondContact OE2-CB 3.44Å
40K72.6Confident89.1Confident145 Ų14533.6 Ų33.663%0.6317%0.173SC*.SBendtrans-109.198.4172.7-66.6-179.2-178.8174.80108.5C38 D42C38-K40 VanDerWaalsContact C-N 3.27Å; C38-K40 PolarHBondContact O-N 2.88Å; C38-K40 VanDerWaalsContact O-N 3.13Å; C38-K40 PolarHBondContact SG-O 3.44Å; K40-D42 PolarHBondContact O-N 2.66Å
41L78.6Confident89Confident37 Ų3737.8 Ų37.819%0.19419%0.191CC..  trans-60.2112.2-180-168.374000110.1W37 S43 Y45 V46 L71W37-L41 HydrophobicContact CD2-CD1 3.89Å; W37-L41 HydrophobicContact CE3-CD1 3.92Å; W37-L41 HydrophobicContact CE3-CD2 4.39Å; W37-L41 HydrophobicContact CG-CD1 4.4Å; W37-L41 HydrophobicContact CH2-CB 4.43Å; W37-L41 HydrophobicContact CH2-CD1 4.38Å; W37-L41 HydrophobicContact CH2-CD2 3.58Å; W37-L41 HydrophobicContact CH2-CG 4.36Å; W37-L41 HydrophobicContact CZ2-CB 4Å; W37-L41 HydrophobicContact CZ2-CD1 4.34Å; W37-L41 HydrophobicContact CZ2-CD2 4.02Å; W37-L41 HydrophobicContact CZ2-CG 4.35Å; W37-L41 HydrophobicContact CZ3-CD1 4.17Å; W37-L41 HydrophobicContact CZ3-CD2 3.79Å; L41-S43 PolarHBondContact O-N 2.92Å; L41-Y45 HydrophobicContact CD1-CD1 4.33Å; L41-Y45 HydrophobicContact CD1-CE1 4.33Å; L41-V46 HydrophobicContact CD1-CG2 3.86Å; L41-V46 HydrophobicContact CD2-CG2 3.37Å; L41-V46 HydrophobicContact CG-CG2 3.43Å; L41-V46 VanDerWaalsContact CG-CG2 3.43Å; L41-L71 HydrophobicContact CD1-CD1 3.98Å; L41-L71 HydrophobicContact CD2-CD1 4.45Å
42D81Confident88.8Confident62 Ų6240 Ų4033%0.33220%0.199SC..  trans-65.8120.1176172.322.9000109.8K40 D44 Y45 V46 R749K40-D42 PolarHBondContact O-N 2.66Å; D42-D44 PolarHBondContact O-N 3.19Å; D42-D44 PolarHBondContact OD1-N 2.85Å; D42-Y45 WeakPolarHBondContact O-CB 3.38Å; D42-Y45 PolarHBondContact O-N 2.78Å; D42-Y45 PolarHBondContact OD2-N 2.92Å; D42-Y45 VanDerWaalsContact OD2-N 3.16Å; D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 2.75Å; D42-V46 VanDerWaalsContact O-N 3.12Å; D42-R749 IonicContact OD2-NH2 2.7Å; D42-R749 PolarHBondContact OD2-NH2 3.16Å
43S86Confident88.5Confident69 Ų6940.1 Ų40.148%0.48320%0.2SC..Hα-helixtrans-60.1-29.5179.875.80000112.5L41 K47L41-S43 PolarHBondContact O-N 2.92Å; S43-K47 WeakPolarHBondContact O-CD 3.34Å; S43-K47 WeakPolarHBondContact O-CG 3.31Å; S43-K47 PolarHBondContact O-N 3.44Å; S43-K47 VanDerWaalsContact O-N 3.08Å; S43-K47 PolarHBondContact OG-NZ 3Å
44D87.5Confident88.3Confident63 Ų6348.2 Ų48.234%0.33724%0.236SC..Hα-helixtrans-80.8-40.2-178.7-71.8-14.1000111.8D42 V46 K47 E48 R749D42-D44 PolarHBondContact O-N 3.19Å; D42-D44 PolarHBondContact OD1-N 2.85Å; D44-V46 VanDerWaalsContact C-N 3.3Å; D44-V46 PolarHBondContact O-N 3.05Å; D44-K47 PolarHBondContact O-N 2.78Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.93Å; D44-E48 WeakPolarHBondContact O-CG 3.39Å; D44-E48 PolarHBondContact O-N 3Å; D44-R749 VanDerWaalsContact CB-CZ 3.48Å; D44-R749 IonicContact OD2-NH1 3.13Å; D44-R749 IonicContact OD2-NH2 3.52Å
45Y89.8Confident88.1Confident4 Ų453.1 Ų53.12%0.01626%0.259CS..Hα-helixtrans-50.8-50.6167163-127.8000111.3L11 S12 C21 G36 L41 D42 K47 E48 V49 L71L11-Y45 HydrophobicContact CB-CD2 4.49Å; L11-Y45 HydrophobicContact CB-CE2 4.4Å; S12-Y45 VanDerWaalsContact CB-CE2 3.43Å; C21-Y45 HydrophobicContact CB-CE2 3.61Å; C21-Y45 VanDerWaalsContact CB-OH 3.28Å; C21-Y45 WeakPolarHBondContact CB-OH 3.39Å; G36-Y45 WeakPolarHBondContact O-CE1 3.19Å; G36-Y45 PolarHBondContact O-OH 3.39Å; L41-Y45 HydrophobicContact CD1-CD1 4.33Å; L41-Y45 HydrophobicContact CD1-CE1 4.33Å; D42-Y45 WeakPolarHBondContact O-CB 3.38Å; D42-Y45 PolarHBondContact O-N 2.78Å; D42-Y45 PolarHBondContact OD2-N 2.92Å; D42-Y45 VanDerWaalsContact OD2-N 3.16Å; Y45-K47 PolarHBondContact O-N 2.94Å; Y45-E48 PolarHBondContact O-N 2.83Å; Y45-V49 HydrophobicContact CD2-CG2 3.63Å; Y45-V49 HydrophobicContact CE2-CG2 3.26Å; Y45-V49 WeakPolarHBondContact O-CG2 3.24Å; Y45-V49 PolarHBondContact O-N 3.35Å; Y45-L71 HydrophobicContact CE1-CD2 3.8Å; Y45-L71 WeakPolarHBondContact OH-CD2 3.31Å
46V90.9Very high88.1Confident13 Ų1353.7 Ų53.78%0.07926%0.262CS..Hα-helixtrans-60.4-49.3179.2178.10000111.1L41 D42 D44 E48 V49 S50 Y74L41-V46 HydrophobicContact CD1-CG2 3.86Å; L41-V46 HydrophobicContact CD2-CG2 3.37Å; L41-V46 HydrophobicContact CG-CG2 3.43Å; L41-V46 VanDerWaalsContact CG-CG2 3.43Å; D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 2.75Å; D42-V46 VanDerWaalsContact O-N 3.12Å; D44-V46 VanDerWaalsContact C-N 3.3Å; D44-V46 PolarHBondContact O-N 3.05Å; V46-E48 VanDerWaalsContact C-N 3.29Å; V46-E48 PolarHBondContact O-N 2.98Å; V46-V49 PolarHBondContact O-N 3.4Å; V46-S50 WeakPolarHBondContact O-CB 3.38Å; V46-S50 PolarHBondContact O-N 3.09Å; V46-S50 PolarHBondContact O-OG 3.2Å; V46-Y74 HydrophobicContact CG1-CD1 4.26Å; V46-Y74 HydrophobicContact CG1-CE1 3.38Å
47K91.2Very high88.3Confident112 Ų11255.2 Ų55.249%0.48727%0.27SS..Hα-helixtrans-56.8-42.3178.5-74.5167.5-155.4154.40112S43 D44 Y45 K51S43-K47 WeakPolarHBondContact O-CD 3.34Å; S43-K47 WeakPolarHBondContact O-CG 3.31Å; S43-K47 PolarHBondContact O-N 3.44Å; S43-K47 VanDerWaalsContact O-N 3.08Å; S43-K47 PolarHBondContact OG-NZ 3Å; D44-K47 PolarHBondContact O-N 2.78Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.93Å; Y45-K47 PolarHBondContact O-N 2.94Å; K47-K51 WeakPolarHBondContact O-CG 3.5Å; K47-K51 PolarHBondContact O-N 3.03Å
48E91.3Very high88.7Confident36 Ų3655 Ų5517%0.16827%0.27CS..Hα-helixtrans-67.3-46.3180-71-52142.700112L11 D44 Y45 V46 S50 K51L11-E48 HydrophobicContact CD2-CB 4.31Å; D44-E48 WeakPolarHBondContact O-CG 3.39Å; D44-E48 PolarHBondContact O-N 3Å; Y45-E48 PolarHBondContact O-N 2.83Å; V46-E48 VanDerWaalsContact C-N 3.29Å; V46-E48 PolarHBondContact O-N 2.98Å; E48-S50 VanDerWaalsContact C-N 3.33Å; E48-S50 PolarHBondContact O-N 3.02Å; E48-K51 WeakPolarHBondContact O-CB 3.4Å; E48-K51 PolarHBondContact O-N 3.47Å; E48-K51 IonicContact OE1-NZ 3.56Å; E48-K51 PolarHBondContact OE1-NZ 2.95Å; E48-K51 IonicContact OE2-NZ 3.19Å; E48-K51 PolarHBondContact OE2-NZ 3.4Å
49V92.7Very high89.6Confident3 Ų353.8 Ų53.82%0.01826%0.261CS..Hα-helixtrans-63.5-41.1177.5-176.90000110.9L11 Y45 V46 K51 W52 A53 L75L11-V49 HydrophobicContact CB-CG2 4Å; L11-V49 HydrophobicContact CD1-CB 4.35Å; L11-V49 HydrophobicContact CD1-CG1 4.43Å; L11-V49 HydrophobicContact CD1-CG2 3.75Å; L11-V49 HydrophobicContact CG-CG2 4.39Å; Y45-V49 HydrophobicContact CD2-CG2 3.63Å; Y45-V49 HydrophobicContact CE2-CG2 3.26Å; Y45-V49 WeakPolarHBondContact O-CG2 3.24Å; Y45-V49 PolarHBondContact O-N 3.35Å; V46-V49 PolarHBondContact O-N 3.4Å; V49-K51 PolarHBondContact O-N 2.89Å; V49-W52 PolarHBondContact O-N 3.46Å; V49-A53 PolarHBondContact O-N 3.1Å; V49-A53 VanDerWaalsContact O-N 3.09Å; V49-L75 HydrophobicContact CB-CD2 4.37Å; V49-L75 HydrophobicContact CG1-CD1 3.87Å; V49-L75 HydrophobicContact CG1-CD2 3.53Å; V49-L75 HydrophobicContact CG1-CG 4.36Å
50S92.5Very high90.9Very high37 Ų3750.7 Ų50.726%0.25925%0.247SC..Hα-helixtrans-59.4-30.4179.3-63.60000113.3V46 E48 W52 C79V46-S50 WeakPolarHBondContact O-CB 3.38Å; V46-S50 PolarHBondContact O-N 3.09Å; V46-S50 PolarHBondContact O-OG 3.2Å; E48-S50 VanDerWaalsContact C-N 3.33Å; E48-S50 PolarHBondContact O-N 3.02Å; S50-W52 VanDerWaalsContact C-N 3.27Å; S50-W52 PolarHBondContact O-N 3.49Å; S50-C79 PolarHBondContact OG-SG 3.44Å
51K93.8Very high92.1Very high113 Ų11343.8 Ų43.849%0.49122%0.217SC..Hα-helixtrans-64.2-34.8174.3-67170.1-164.3171.40112K47 E48 V49 H55K47-K51 WeakPolarHBondContact O-CG 3.5Å; K47-K51 PolarHBondContact O-N 3.03Å; E48-K51 WeakPolarHBondContact O-CB 3.4Å; E48-K51 PolarHBondContact O-N 3.47Å; E48-K51 IonicContact OE1-NZ 3.56Å; E48-K51 PolarHBondContact OE1-NZ 2.95Å; E48-K51 IonicContact OE2-NZ 3.19Å; E48-K51 PolarHBondContact OE2-NZ 3.4Å; V49-K51 PolarHBondContact O-N 2.89Å; K51-H55 PolarHBondContact O-ND1 3.01Å
52W93.6Very high93.1Very high47 Ų4742 Ų4218%0.17821%0.208CC..Hα-helixtrans-87.3-20.2-177.7-73.5102.2000113.6H9 L23 H30 V49 S50 K54 H55 V56H9-W52 AromaticContact CE1-NE1 3.82Å; H9-W52 AromaticContact ND1-NE1 3.67Å; L23-W52 HydrophobicContact CD2-CB 4.29Å; L23-W52 HydrophobicContact CD2-CD2 3.27Å; L23-W52 HydrophobicContact CD2-CE3 3.4Å; L23-W52 VanDerWaalsContact CD2-CE3 3.4Å; L23-W52 HydrophobicContact CD2-CG 3.69Å; L23-W52 HydrophobicContact CD2-CH2 4.11Å; L23-W52 HydrophobicContact CD2-CZ2 4.02Å; L23-W52 HydrophobicContact CD2-CZ3 3.82Å; H30-W52 AromaticContact CD2-CZ3 3.5Å; H30-W52 AromaticContact NE2-CZ3 3.62Å; V49-W52 PolarHBondContact O-N 3.46Å; S50-W52 VanDerWaalsContact C-N 3.27Å; S50-W52 PolarHBondContact O-N 3.49Å; W52-K54 PolarHBondContact O-N 2.88Å; W52-H55 HydrophobicContact CE3-CB 4.04Å; W52-H55 WeakPolarHBondContact O-CA 3.42Å; W52-H55 PolarHBondContact O-N 3.36Å; W52-V56 HydrophobicContact CB-CG2 4.42Å; W52-V56 WeakPolarHBondContact O-CG2 3.35Å; W52-V56 PolarHBondContact O-N 3.41Å; W52-V56 VanDerWaalsContact O-N 3.14Å
53A93Very high93.8Very high4 Ų439.1 Ų39.13%0.03319%0.192CC..THydrogen-bonded Turntrans-47.8-38.7-17400000114.6V49 C79 L81V49-A53 PolarHBondContact O-N 3.1Å; V49-A53 VanDerWaalsContact O-N 3.09Å; A53-C79 HydrophobicContact CB-CB 3.69Å; A53-L81 HydrophobicContact CB-CB 4.44Å; A53-L81 VanDerWaalsContact O-CD1 3.24Å; A53-L81 WeakPolarHBondContact O-CD1 3.4Å
54K92.6Very high94.3Very high171 Ų17135.8 Ų35.874%0.74317%0.169SC*.THydrogen-bonded Turntrans-80.8-13.3179.1-64.3-178.3179.9178.70115W52W52-K54 PolarHBondContact O-N 2.88Å
55H93.5Very high94.5Very high103 Ų10333.1 Ų33.148%0.47716%0.155SC..THydrogen-bonded Turntrans-104.3-16.9-175-60.592.5000112.8K51 W52 R141K51-H55 PolarHBondContact O-ND1 3.01Å; W52-H55 HydrophobicContact CE3-CB 4.04Å; W52-H55 WeakPolarHBondContact O-CA 3.42Å; W52-H55 PolarHBondContact O-N 3.36Å; H55-R141 PolarHBondContact O-NH2 3.21Å
56V96.6Very high94.6Very high12 Ų1233.9 Ų33.97%0.07316%0.159CC..  trans-66131.7177174.10000110.1L23 L32 W52 A58 V59 L81L23-V56 HydrophobicContact CD1-CG2 3.85Å; L32-V56 HydrophobicContact CB-CG1 3.89Å; L32-V56 HydrophobicContact CB-CG2 4.33Å; W52-V56 HydrophobicContact CB-CG2 4.42Å; W52-V56 WeakPolarHBondContact O-CG2 3.35Å; W52-V56 PolarHBondContact O-N 3.41Å; W52-V56 VanDerWaalsContact O-N 3.14Å; V56-A58 WeakPolarHBondContact CG1-O 3.5Å; V56-V59 HydrophobicContact CG1-CG2 4.24Å; V56-L81 HydrophobicContact CB-CD1 3.85Å; V56-L81 HydrophobicContact CG1-CD1 4.04Å; V56-L81 HydrophobicContact CG2-CD1 4.46Å
57D97Very high94.7Very high32 Ų3234.5 Ų34.517%0.17116%0.16CC..  trans-94.4-28.4-179.9-68-70.2000113.5F29 H30 C83 P84 R141F29-D57 WeakPolarHBondContact CA-OD2 3.43Å; F29-D57 HydrophobicContact CD2-CB 3.48Å; F29-D57 VanDerWaalsContact CD2-CB 3.48Å; F29-D57 HydrophobicContact CE2-CB 3.21Å; F29-D57 HydrophobicContact CG-CB 4.31Å; F29-D57 HydrophobicContact CZ-CB 3.82Å; H30-D57 PolarHBondContact N-OD2 2.84Å; H30-D57 PolarHBondContact O-N 3.35Å; D57-C83 WeakPolarHBondContact O-CB 3.33Å; D57-P84 WeakPolarHBondContact O-CD 3.48Å; D57-R141 IonicContact OD1-CZ 2.76Å; D57-R141 IonicContact OD1-NE 2.72Å; D57-R141 PolarHBondContact OD1-NE 2.65Å; D57-R141 IonicContact OD1-NH2 2.63Å; D57-R141 PolarHBondContact OD1-NH2 3.06Å; D57-R141 IonicContact OD2-CZ 2.72Å; D57-R141 VanDerWaalsContact OD2-CZ 3.23Å; D57-R141 IonicContact OD2-NE 3.37Å; D57-R141 PolarHBondContact OD2-NE 3.5Å; D57-R141 IonicContact OD2-NH1 3.64Å; D57-R141 IonicContact OD2-NH2 2.84Å; D57-R141 PolarHBondContact OD2-NH2 3.38Å; D57-R141 VanDerWaalsContact OD2-NH2 3.08Å
58A97.7Very high94.8Very high1 Ų129.1 Ų29.11%0.00814%0.137CC..EExtended strand (participates in β ladder)trans-158.5153.7175.100000111.3F29 C31 L32 V56 P84 Y86F29-A58 HydrophobicContact CE1-CB 4.39Å; F29-A58 HydrophobicContact CZ-CB 3.64Å; C31-A58 CarbonylContact C-O 3.51Å; C31-A58 WeakPolarHBondContact CA-O 3.22Å; L32-A58 PolarHBondContact N-O 3.19Å; V56-A58 WeakPolarHBondContact CG1-O 3.5Å; A58-P84 VanDerWaalsContact CA-O 3.3Å; A58-P84 WeakPolarHBondContact CA-O 3.29Å; A58-P84 HydrophobicContact CB-CG 4.39Å; A58-Y86 HydrophobicContact CB-CD2 4.26Å; A58-Y86 HydrophobicContact CB-CE2 4Å
59V98.4Very high95.1Very high0 Ų027.4 Ų27.40%013%0.129CC..EExtended strand (participates in β ladder)trans-112136.9170.1-174.90000109.7L32 V56 L61 L81 P84 V85 Y86L32-V59 HydrophobicContact CB-CB 4.49Å; L32-V59 HydrophobicContact CB-CG1 4.36Å; L32-V59 HydrophobicContact CB-CG2 4.07Å; L32-V59 HydrophobicContact CD2-CG2 4.24Å; L32-V59 CarbonylContact O-C 3.5Å; L32-V59 VanDerWaalsContact O-CA 3.3Å; L32-V59 WeakPolarHBondContact O-CA 3.47Å; V56-V59 HydrophobicContact CG1-CG2 4.24Å; V59-L61 HydrophobicContact CG1-CD2 3.89Å; V59-L61 HydrophobicContact CG1-CG 4.43Å; V59-L81 HydrophobicContact CG2-CD1 4.5Å; V59-L81 HydrophobicContact CG2-CD2 3.84Å; V59-P84 PolarHBondContact N-O 3.08Å; V59-P84 VanDerWaalsContact N-O 3.1Å; V59-V85 HydrophobicContact CB-CB 4.37Å; V59-V85 HydrophobicContact CB-CG1 4.09Å; V59-V85 HydrophobicContact CB-CG2 4.07Å; V59-V85 HydrophobicContact CG1-CG1 4.33Å; V59-V85 HydrophobicContact CG2-CG2 4.27Å; V59-V85 CarbonylContact O-C 3.57Å; V59-V85 WeakPolarHBondContact O-CA 3.35Å; V59-Y86 PolarHBondContact O-N 3.01Å
60L98.7Very high95.2Very high0 Ų027.3 Ų27.30%013%0.128CC..EExtended strand (participates in β ladder)trans-111.1121.2169.7-57.6-175.9000109L32 L33 D34 Y86 I147 W161 L163L32-L60 PolarHBondContact O-N 3.16Å; L33-L60 HydrophobicContact CD2-CB 4.13Å; L33-L60 HydrophobicContact CD2-CD1 3.78Å; L33-L60 HydrophobicContact CD2-CG 4.21Å; D34-L60 PolarHBondContact N-O 2.92Å; L60-Y86 HydrophobicContact CD2-CD2 3.9Å; L60-Y86 HydrophobicContact CD2-CG 4.18Å; L60-I147 HydrophobicContact CD1-CG2 4.33Å; L60-I147 HydrophobicContact CD2-CD1 3.69Å; L60-W161 HydrophobicContact CB-CD2 4.19Å; L60-W161 HydrophobicContact CB-CG 4.27Å; L60-W161 HydrophobicContact CB-CZ2 4.44Å; L60-W161 HydrophobicContact CD1-CB 4.25Å; L60-W161 HydrophobicContact CD1-CD2 4.07Å; L60-W161 HydrophobicContact CD1-CE3 4.25Å; L60-W161 HydrophobicContact CD1-CG 4.08Å; L60-W161 HydrophobicContact CD2-CD2 4.42Å; L60-W161 HydrophobicContact CD2-CE3 4.32Å; L60-W161 HydrophobicContact CD2-CH2 4.29Å; L60-W161 HydrophobicContact CD2-CZ2 4.42Å; L60-W161 HydrophobicContact CD2-CZ3 4.25Å; L60-W161 HydrophobicContact CG-CD2 4.46Å; L60-L163 HydrophobicContact CD1-CD1 4.36Å; L60-L163 HydrophobicContact CD1-CD2 4.03Å; L60-L163 HydrophobicContact CD1-CG 4.31Å
61L98.7Very high95.3Very high1 Ų125.5 Ų25.51%0.00512%0.116CC..  trans-99.8130.7175.2-58.5179.2000110.2D34 V59 L69 L72 V85 Y86 A87 V91 T159 W161D34-L61 WeakPolarHBondContact OD1-CA 3.41Å; V59-L61 HydrophobicContact CG1-CD2 3.89Å; V59-L61 HydrophobicContact CG1-CG 4.43Å; L61-L69 HydrophobicContact CD1-CB 4.09Å; L61-L69 HydrophobicContact CD1-CD2 4.39Å; L61-L69 HydrophobicContact CD2-CB 4Å; L61-L72 HydrophobicContact CD1-CD2 3.97Å; L61-V85 HydrophobicContact CD1-CG1 3.73Å; L61-V85 HydrophobicContact CG-CG1 3.83Å; L61-Y86 PolarHBondContact N-O 3.24Å; L61-A87 HydrophobicContact CB-CB 4.06Å; L61-A87 HydrophobicContact CD1-CB 4.25Å; L61-V91 HydrophobicContact CB-CG1 4.15Å; L61-T159 PolarHBondContact O-OG1 2.72Å; L61-W161 PolarHBondContact O-NE1 2.95Å
62S98Very high95.5Very high0 Ų020.1 Ų20.10%09%0.092CC..  trans-91.1-42.9-179.159.90000112.8D34 H68 G158 T159D34-S62 PolarHBondContact OD1-N 2.83Å; D34-S62 PolarHBondContact OD1-OG 3.06Å; D34-S62 WeakPolarHBondContact OD2-CB 3.44Å; D34-S62 PolarHBondContact OD2-OG 3.35Å; S62-H68 PolarHBondContact OG-CD2 2.84Å; S62-G158 CarbonylContact O-C 3.57Å; S62-G158 WeakPolarHBondContact O-CA 3.17Å; S62-T159 PolarHBondContact O-N 3.11Å; S62-T159 PolarHBondContact O-OG1 3.04Å
63H97.2Very high95.6Very high0 Ų017.9 Ų17.90%08%0.084CC..  trans-141.3161.2-174.6-58.5-83.1000112.4S65 H68 S152 H154 T155 D175H63-S65 VanDerWaalsContact C-N 3.28Å; H63-S65 PolarHBondContact O-N 3.06Å; H63-H68 HydrophobicContact CB-CB 4.27Å; H63-H68 AromaticContact CD2-CD2 3.86Å; H63-H68 AromaticContact CD2-CE1 3.78Å; H63-H68 AromaticContact CD2-NE2 3.6Å; H63-H68 WeakPolarHBondContact O-CB 3.49Å; H63-S152 PolarHBondContact CE1-OG 3.31Å; H63-S152 VanDerWaalsContact CE1-OG 3.24Å; H63-H154 AromaticContact CE1-CD2 3.64Å; H63-H154 AromaticContact ND1-CD2 3.57Å; H63-T155 PolarHBondContact ND1-OG1 3.27Å; H63-D175 PolarHBondContact CE1-O 3.23Å; H63-D175 PolarHBondContact NE2-O 3.36Å
64Q95.1Very high95.7Very high0 Ų019.7 Ų19.70%09%0.09CC..SBendtrans-816.5-178.964.2-96.149.700115.4M94 F98 T155 L156Q64-M94 HydrophobicContact CB-CB 3.94Å; Q64-M94 HydrophobicContact CG-CB 3.91Å; Q64-F98 WeakPolarHBondContact O-CB 3.21Å; Q64-F98 WeakPolarHBondContact O-CD2 3.22Å; Q64-F98 WeakPolarHBondContact O-CG 3.3Å; Q64-T155 PolarHBondContact OE1-OG1 3.13Å; Q64-L156 PolarHBondContact NE2-O 3.12Å; Q64-L156 PolarHBondContact OE1-O 3.02Å
65S92.5Very high95.9Very high7 Ų711.6 Ų11.65%0.0496%0.055CC..SBendtrans-88.7159.5-174.272.10000112.6H63 R67 H68 L69H63-S65 VanDerWaalsContact C-N 3.28Å; H63-S65 PolarHBondContact O-N 3.06Å; S65-R67 PolarHBondContact O-N 3.12Å; S65-R67 VanDerWaalsContact O-N 3.11Å; S65-H68 PolarHBondContact O-N 3.11Å; S65-H68 PolarHBondContact OG-ND1 2.78Å; S65-L69 PolarHBondContact O-N 3.25Å; S65-L69 VanDerWaalsContact O-N 3.17Å
66L91.9Very high96Very high19 Ų197.1 Ų7.110%0.0994%0.035CC..Hα-helixtrans-51.4-35.2175.1-17367.7000112.5W37 H68 G70 F98 M99 F102W37-L66 HydrophobicContact CB-CD1 3.8Å; W37-L66 HydrophobicContact CB-CG 3.93Å; W37-L66 HydrophobicContact CG-CD1 4.1Å; W37-L66 HydrophobicContact CG-CG 4.36Å; W37-L66 PolarHBondContact N-O 2.84Å; L66-H68 PolarHBondContact O-N 2.96Å; L66-G70 WeakPolarHBondContact O-CA 3.45Å; L66-G70 PolarHBondContact O-N 3.49Å; L66-G70 VanDerWaalsContact O-N 3.07Å; L66-F98 HydrophobicContact CB-CD1 4.38Å; L66-F98 HydrophobicContact CB-CE1 3.79Å; L66-F98 HydrophobicContact CB-CZ 4.46Å; L66-M99 HydrophobicContact CD1-SD 4.49Å; L66-F102 HydrophobicContact CD1-CD1 3.69Å; L66-F102 HydrophobicContact CD1-CD2 4.1Å; L66-F102 HydrophobicContact CD1-CE1 3.71Å; L66-F102 HydrophobicContact CD1-CE2 4.1Å; L66-F102 HydrophobicContact CD1-CG 3.9Å; L66-F102 HydrophobicContact CD1-CZ 3.91Å; L66-F102 HydrophobicContact CD2-CD2 3.94Å; L66-F102 HydrophobicContact CD2-CE2 3.61Å; L66-F102 HydrophobicContact CD2-CZ 3.99Å
67R92Very high95.9Very high26 Ų268 Ų810%0.0985%0.047CC..Hα-helixtrans-61.8-21.7176.4173.4179.1-79.6-86.5-6.9113.9S19 P20 G36 S65 E359S19-R67 WeakPolarHBondContact CB-O 3.25Å; P20-R67 VanDerWaalsContact CD-CG 3.4Å; P20-R67 WeakPolarHBondContact CD-O 3.34Å; P20-R67 HydrophobicContact CG-CG 4.13Å; G36-R67 VanDerWaalsContact CA-C 3.47Å; G36-R67 WeakPolarHBondContact CA-O 3.3Å; S65-R67 PolarHBondContact O-N 3.12Å; S65-R67 VanDerWaalsContact O-N 3.11Å; R67-E359 IonicContact NE-OE1 3.24Å; R67-E359 PolarHBondContact NH2-O 2.99Å
68H95Very high95.6Very high0 Ų010.3 Ų10.30%06%0.061CC..Hα-helixtrans-115.7-30.3-172.9-60.591.7000113.7D34 C35 S62 H63 S65 L66 D175D34-H68 HydrophobicContact CB-CB 4.45Å; D34-H68 WeakPolarHBondContact CB-O 3.32Å; D34-H68 IonicContact OD2-CD2 2.8Å; C35-H68 CarbonylContact C-O 3.55Å; C35-H68 PolarHBondContact N-O 3.36Å; S62-H68 PolarHBondContact OG-CD2 2.84Å; H63-H68 HydrophobicContact CB-CB 4.27Å; H63-H68 AromaticContact CD2-CD2 3.86Å; H63-H68 AromaticContact CD2-CE1 3.78Å; H63-H68 AromaticContact CD2-NE2 3.6Å; H63-H68 WeakPolarHBondContact O-CB 3.49Å; S65-H68 PolarHBondContact O-N 3.11Å; S65-H68 PolarHBondContact OG-ND1 2.78Å; L66-H68 PolarHBondContact O-N 2.96Å; H68-D175 IonicContact CE1-OD2 2.85Å; H68-D175 PolarHBondContact CE1-OD2 3.11Å; H68-D175 IonicContact NE2-OD2 3.54Å; H68-D175 PolarHBondContact NE2-OD2 3.24Å
69L96Very high95.4Very high0 Ų011.1 Ų11.10%07%0.067CC..Hα-helixtrans-1293.5-17762.573.5000114.7C35 L61 S65 L71 L72 V91 M99 F124C35-L69 CarbonylContact O-C 3.57Å; L61-L69 HydrophobicContact CD1-CB 4.09Å; L61-L69 HydrophobicContact CD1-CD2 4.39Å; L61-L69 HydrophobicContact CD2-CB 4Å; S65-L69 PolarHBondContact O-N 3.25Å; S65-L69 VanDerWaalsContact O-N 3.17Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 PolarHBondContact O-N 3.02Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.83Å; L69-V91 HydrophobicContact CD2-CG1 4.43Å; L69-M99 HydrophobicContact CD1-CG 3.58Å; L69-M99 HydrophobicContact CD1-SD 3.45Å; L69-M99 WeakPolarHBondContact CD1-SD 3.45Å; L69-F124 HydrophobicContact CD1-CZ 4.23Å; L69-F124 HydrophobicContact CD2-CZ 4.18Å
70G94.4Very high95.2Very high0 Ų013 Ų130%09%0.087CC..THydrogen-bonded Turntrans-62.8-25.3-170.600000115.6C35 L66 M99C35-G70 PolarHBondContact O-N 3.26Å; L66-G70 WeakPolarHBondContact O-CA 3.45Å; L66-G70 PolarHBondContact O-N 3.49Å; L66-G70 VanDerWaalsContact O-N 3.07Å; G70-M99 VanDerWaalsContact O-CE 3.27Å; G70-M99 WeakPolarHBondContact O-CE 3.41Å
71L95.4Very high95Very high0 Ų013.2 Ų13.20%09%0.088CC..THydrogen-bonded Turntrans-90.1-9.1177.4-160.366.3000112.4C35 W37 L41 Y45 L69 Y74 L75C35-L71 HydrophobicContact CB-CB 4.33Å; C35-L71 VanDerWaalsContact O-CB 3.26Å; C35-L71 WeakPolarHBondContact O-CB 2.98Å; C35-L71 PolarHBondContact O-N 2.96Å; W37-L71 HydrophobicContact CE3-CD1 3.79Å; W37-L71 HydrophobicContact CZ3-CD1 3.99Å; L41-L71 HydrophobicContact CD1-CD1 3.98Å; L41-L71 HydrophobicContact CD2-CD1 4.45Å; Y45-L71 HydrophobicContact CE1-CD2 3.8Å; Y45-L71 WeakPolarHBondContact OH-CD2 3.31Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 PolarHBondContact O-N 3.02Å; L71-Y74 HydrophobicContact CD1-CD1 3.87Å; L71-Y74 HydrophobicContact CD1-CG 4.09Å; L71-Y74 HydrophobicContact CG-CD1 4.28Å; L71-Y74 WeakPolarHBondContact O-CB 3.39Å; L71-Y74 PolarHBondContact O-N 3.42Å; L71-Y74 VanDerWaalsContact O-N 3.11Å; L71-L75 HydrophobicContact CD2-CD1 4.43Å; L71-L75 HydrophobicContact CD2-CD2 4.11Å; L71-L75 HydrophobicContact CD2-CG 4.26Å; L71-L75 HydrophobicContact CG-CD2 4.29Å; L71-L75 HydrophobicContact CG-CG 4.06Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 3.35Å
72L97.3Very high94.9Very high0 Ų019.6 Ų19.60%012%0.122CC..Hα-helixtrans-55.8-47-174.6-172.670.1000113.3L61 L69 Y74 L75 V76 L81 V85 A123L61-L72 HydrophobicContact CD1-CD2 3.97Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.83Å; L72-Y74 VanDerWaalsContact C-N 3.3Å; L72-Y74 PolarHBondContact O-N 3.3Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-L75 VanDerWaalsContact O-N 3.17Å; L72-V76 HydrophobicContact CD1-CG2 4.35Å; L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 2.93Å; L72-L81 HydrophobicContact CD1-CD2 4.22Å; L72-V85 HydrophobicContact CD1-CG2 4.17Å; L72-V85 HydrophobicContact CD2-CG1 4.43Å; L72-A123 HydrophobicContact CD2-CB 4.26Å; L72-A123 HydrophobicContact CG-CB 4.04Å
73P96.6Very high94.7Very high0 Ų020 Ų200%013%0.125CC..Hα-helixtrans-60.3-39.8177.4-2537.6000112.8V76 G77 M99 Y115 D119 V120 A123P73-V76 PolarHBondContact O-N 3.07Å; P73-G77 PolarHBondContact O-N 3.24Å; P73-M99 HydrophobicContact CG-CE 3.68Å; P73-M99 HydrophobicContact CG-CG 4.42Å; P73-Y115 HydrophobicContact CB-CD1 4.13Å; P73-Y115 HydrophobicContact CB-CD2 3.66Å; P73-Y115 HydrophobicContact CB-CE1 4.5Å; P73-Y115 HydrophobicContact CB-CE2 4.1Å; P73-Y115 HydrophobicContact CB-CG 3.7Å; P73-Y115 HydrophobicContact CG-CD2 4.33Å; P73-Y115 HydrophobicContact CG-CE2 4.28Å; P73-D119 HydrophobicContact CB-CB 4.29Å; P73-V120 HydrophobicContact CB-CG2 4.06Å; P73-V120 HydrophobicContact CG-CB 4.46Å; P73-V120 HydrophobicContact CG-CG2 3.89Å; P73-A123 HydrophobicContact CB-CB 4.47Å; P73-A123 HydrophobicContact CG-CB 4.43Å
74Y95.3Very high94.7Very high41 Ų4122.1 Ų22.116%0.16114%0.138CC..Hα-helixtrans-63.2-42.7175.8-178.1-98000112.3V46 L71 L72 T78 C79 H114V46-Y74 HydrophobicContact CG1-CD1 4.26Å; V46-Y74 HydrophobicContact CG1-CE1 3.38Å; L71-Y74 HydrophobicContact CD1-CD1 3.87Å; L71-Y74 HydrophobicContact CD1-CG 4.09Å; L71-Y74 HydrophobicContact CG-CD1 4.28Å; L71-Y74 WeakPolarHBondContact O-CB 3.39Å; L71-Y74 PolarHBondContact O-N 3.42Å; L71-Y74 VanDerWaalsContact O-N 3.11Å; L72-Y74 VanDerWaalsContact C-N 3.3Å; L72-Y74 PolarHBondContact O-N 3.3Å; Y74-T78 HydrophobicContact CD2-CG2 4.49Å; Y74-T78 HydrophobicContact CE2-CG2 3.81Å; Y74-T78 WeakPolarHBondContact O-CA 3.4Å; Y74-T78 VanDerWaalsContact O-CB 3.3Å; Y74-T78 WeakPolarHBondContact O-CB 3.37Å; Y74-T78 PolarHBondContact O-N 3.36Å; Y74-C79 WeakPolarHBondContact CE1-SG 3.24Å; Y74-C79 PolarHBondContact O-N 3.35Å; Y74-C79 VanDerWaalsContact O-N 3.16Å; Y74-H114 HydrophobicContact CD2-CB 4.32Å; Y74-H114 VanDerWaalsContact CD2-O 3.23Å; Y74-H114 WeakPolarHBondContact CD2-O 3.45Å
75L96.5Very high94.9Very high1 Ų122.1 Ų22.11%0.00514%0.138CC..Hα-helixtrans-66.6-40.9-179.7-65.2-179.7000112L32 C35 V49 L71 L72 C79 G80 L81L32-L75 HydrophobicContact CD2-CD1 3.93Å; C35-L75 HydrophobicContact CB-CD1 3.75Å; V49-L75 HydrophobicContact CB-CD2 4.37Å; V49-L75 HydrophobicContact CG1-CD1 3.87Å; V49-L75 HydrophobicContact CG1-CD2 3.53Å; V49-L75 HydrophobicContact CG1-CG 4.36Å; L71-L75 HydrophobicContact CD2-CD1 4.43Å; L71-L75 HydrophobicContact CD2-CD2 4.11Å; L71-L75 HydrophobicContact CD2-CG 4.26Å; L71-L75 HydrophobicContact CG-CD2 4.29Å; L71-L75 HydrophobicContact CG-CG 4.06Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 3.35Å; L72-L75 PolarHBondContact O-N 2.96Å; L72-L75 VanDerWaalsContact O-N 3.17Å; L75-C79 HydrophobicContact CD2-CB 4.34Å; L75-C79 CarbonylContact O-C 3.58Å; L75-C79 WeakPolarHBondContact O-CA 3.18Å; L75-C79 VanDerWaalsContact O-CB 3.28Å; L75-C79 WeakPolarHBondContact O-CB 3.25Å; L75-C79 PolarHBondContact O-N 3.09Å; L75-G80 PolarHBondContact O-N 3.44Å; L75-G80 VanDerWaalsContact O-N 3.1Å; L75-L81 HydrophobicContact CB-CB 4.09Å; L75-L81 HydrophobicContact CB-CD2 3.9Å; L75-L81 HydrophobicContact CD1-CD2 4.48Å; L75-L81 VanDerWaalsContact O-CB 3.24Å; L75-L81 WeakPolarHBondContact O-CB 3.5Å; L75-L81 PolarHBondContact O-N 2.96Å
76V96.5Very high95.2Very high10 Ų1022.7 Ų22.76%0.06114%0.139CC..Hα-helixtrans-73.9-56.5-179.9177.30000110.7L72 P73 G80 L81 L122 A123L72-V76 HydrophobicContact CD1-CG2 4.35Å; L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 2.93Å; P73-V76 PolarHBondContact O-N 3.07Å; V76-G80 PolarHBondContact O-N 3.24Å; V76-L81 HydrophobicContact CG2-CB 4.31Å; V76-L81 HydrophobicContact CG2-CD2 4.06Å; V76-L122 HydrophobicContact CG1-CD2 3.9Å; V76-L122 HydrophobicContact CG1-CG 3.78Å; V76-A123 HydrophobicContact CB-CB 4.07Å; V76-A123 HydrophobicContact CG1-CB 4.49Å; V76-A123 HydrophobicContact CG2-CB 3.97Å
77G93Very high95.5Very high31 Ų3121.8 Ų21.832%0.3214%0.135SC..Hα-helixtrans-69.4-46.4-174.600000113.7P73 D119P73-G77 PolarHBondContact O-N 3.24Å; G77-D119 WeakPolarHBondContact CA-OD1 3.36Å
78T92.4Very high95.8Very high79 Ų7920.5 Ų20.549%0.48513%0.13SC..THydrogen-bonded Turntrans-97.1-41.3-173.2-57.60000113.2Y74Y74-T78 HydrophobicContact CD2-CG2 4.49Å; Y74-T78 HydrophobicContact CE2-CG2 3.81Å; Y74-T78 WeakPolarHBondContact O-CA 3.4Å; Y74-T78 VanDerWaalsContact O-CB 3.3Å; Y74-T78 WeakPolarHBondContact O-CB 3.37Å; Y74-T78 PolarHBondContact O-N 3.36Å
79C93.5Very high96Very high18 Ų1821.7 Ų21.712%0.12214%0.137CC..THydrogen-bonded Turntrans-88-12.2-175.7-55.90000113.9S50 A53 Y74 L75S50-C79 PolarHBondContact OG-SG 3.44Å; A53-C79 HydrophobicContact CB-CB 3.69Å; Y74-C79 WeakPolarHBondContact CE1-SG 3.24Å; Y74-C79 PolarHBondContact O-N 3.35Å; Y74-C79 VanDerWaalsContact O-N 3.16Å; L75-C79 HydrophobicContact CD2-CB 4.34Å; L75-C79 CarbonylContact O-C 3.58Å; L75-C79 WeakPolarHBondContact O-CA 3.18Å; L75-C79 VanDerWaalsContact O-CB 3.28Å; L75-C79 WeakPolarHBondContact O-CB 3.25Å; L75-C79 PolarHBondContact O-N 3.09Å
80G92.6Very high96.1Very high40 Ų4021.7 Ų21.741%0.41214%0.137SC..  trans73.132.8-179.600000113.7L75 V76 N82L75-G80 PolarHBondContact O-N 3.44Å; L75-G80 VanDerWaalsContact O-N 3.1Å; V76-G80 PolarHBondContact O-N 3.24Å; G80-N82 PolarHBondContact O-N 3.34Å
81L95.9Very high96.3Very high4 Ų421.7 Ų21.72%0.02114%0.137CC..  trans-63113.5168-18075.3000108.8A53 V56 V59 L72 L75 V76A53-L81 HydrophobicContact CB-CB 4.44Å; A53-L81 VanDerWaalsContact O-CD1 3.24Å; A53-L81 WeakPolarHBondContact O-CD1 3.4Å; V56-L81 HydrophobicContact CB-CD1 3.85Å; V56-L81 HydrophobicContact CG1-CD1 4.04Å; V56-L81 HydrophobicContact CG2-CD1 4.46Å; V59-L81 HydrophobicContact CG2-CD1 4.5Å; V59-L81 HydrophobicContact CG2-CD2 3.84Å; L72-L81 HydrophobicContact CD1-CD2 4.22Å; L75-L81 HydrophobicContact CB-CB 4.09Å; L75-L81 HydrophobicContact CB-CD2 3.9Å; L75-L81 HydrophobicContact CD1-CD2 4.48Å; L75-L81 VanDerWaalsContact O-CB 3.24Å; L75-L81 WeakPolarHBondContact O-CB 3.5Å; L75-L81 PolarHBondContact O-N 2.96Å; V76-L81 HydrophobicContact CG2-CB 4.31Å; V76-L81 HydrophobicContact CG2-CD2 4.06Å
82N95.1Very high96.4Very high135 Ų13523.1 Ų23.172%0.72214%0.143SC*.  trans-128.975.2-178.8-178.419000109.6G80 H126G80-N82 PolarHBondContact O-N 3.34Å; N82-H126 PolarHBondContact OD1-NE2 3.33Å
83C95.5Very high96.4Very high9 Ų925.1 Ų25.16%0.06115%0.152CC..SBendtrans-145.1157.8-178.773.30000110.3D57 V85D57-C83 WeakPolarHBondContact O-CB 3.33Å; C83-V85 PolarHBondContact O-N 2.9Å
84P97Very high96.4Very high44 Ų4425.1 Ų25.129%0.28615%0.152SC..  trans-61.9130.2175.625.2-35.4000111.5D57 A58 V59 Y86 H128D57-P84 WeakPolarHBondContact O-CD 3.48Å; A58-P84 VanDerWaalsContact CA-O 3.3Å; A58-P84 WeakPolarHBondContact CA-O 3.29Å; A58-P84 HydrophobicContact CB-CG 4.39Å; V59-P84 PolarHBondContact N-O 3.08Å; V59-P84 VanDerWaalsContact N-O 3.1Å; P84-Y86 HydrophobicContact CB-CE2 3.99Å; P84-Y86 HydrophobicContact CG-CE2 4.17Å; P84-H128 VanDerWaalsContact CB-CD2 3.41Å; P84-H128 WeakPolarHBondContact CB-CD2 3.4Å
85V98.3Very high96.5Very high0 Ų023.2 Ų23.20%014%0.144CC..EExtended strand (participates in β ladder)trans-100.9131.1172.1-177.90000107.9V59 L61 L72 C83 H126 V127 H128V59-V85 HydrophobicContact CB-CB 4.37Å; V59-V85 HydrophobicContact CB-CG1 4.09Å; V59-V85 HydrophobicContact CB-CG2 4.07Å; V59-V85 HydrophobicContact CG1-CG1 4.33Å; V59-V85 HydrophobicContact CG2-CG2 4.27Å; V59-V85 CarbonylContact O-C 3.57Å; V59-V85 WeakPolarHBondContact O-CA 3.35Å; L61-V85 HydrophobicContact CD1-CG1 3.73Å; L61-V85 HydrophobicContact CG-CG1 3.83Å; L72-V85 HydrophobicContact CD1-CG2 4.17Å; L72-V85 HydrophobicContact CD2-CG1 4.43Å; C83-V85 PolarHBondContact O-N 2.9Å; V85-H126 HydrophobicContact CG2-CB 4.01Å; V85-H126 PolarHBondContact N-O 3.47Å; V85-V127 HydrophobicContact CB-CB 4.5Å; V85-V127 HydrophobicContact CB-CG2 3.95Å; V85-V127 HydrophobicContact CG1-CG2 3.86Å; V85-V127 CarbonylContact O-C 3.6Å; V85-V127 WeakPolarHBondContact O-CA 3.48Å; V85-H128 PolarHBondContact O-N 3.44Å
86Y98.7Very high96.6Very high19 Ų1924.5 Ų24.58%0.07515%0.15CC..EExtended strand (participates in β ladder)trans-109.7127.2177-61.6-85.9000110.4A58 V59 L60 L61 P84 H128 V130 I136 L138 I147 W161A58-Y86 HydrophobicContact CB-CD2 4.26Å; A58-Y86 HydrophobicContact CB-CE2 4Å; V59-Y86 PolarHBondContact O-N 3.01Å; L60-Y86 HydrophobicContact CD2-CD2 3.9Å; L60-Y86 HydrophobicContact CD2-CG 4.18Å; L61-Y86 PolarHBondContact N-O 3.24Å; P84-Y86 HydrophobicContact CB-CE2 3.99Å; P84-Y86 HydrophobicContact CG-CE2 4.17Å; Y86-H128 HydrophobicContact CD1-CB 3.86Å; Y86-H128 HydrophobicContact CE1-CB 3.96Å; Y86-V130 HydrophobicContact CD1-CG1 4.04Å; Y86-I136 HydrophobicContact CD1-CD1 4.37Å; Y86-I136 HydrophobicContact CE1-CG2 4.09Å; Y86-L138 HydrophobicContact CD2-CD2 4.46Å; Y86-L138 HydrophobicContact CE2-CD2 3.56Å; Y86-L138 WeakPolarHBondContact OH-CD2 3.33Å; Y86-I147 HydrophobicContact CD1-CD1 3.85Å; Y86-I147 HydrophobicContact CD2-CD1 3.7Å; Y86-I147 HydrophobicContact CE1-CD1 4.26Å; Y86-I147 HydrophobicContact CE2-CD1 4.12Å; Y86-I147 HydrophobicContact CG-CD1 3.55Å; Y86-W161 WeakPolarHBondContact O-CZ2 3.41Å
87A98.6Very high96.6Very high0 Ų024.4 Ų24.40%015%0.149CC..EExtended strand (participates in β ladder)trans-151.5156.3177.500000110.2L61 V91 V127 H128 Q129 V130L61-A87 HydrophobicContact CB-CB 4.06Å; L61-A87 HydrophobicContact CD1-CB 4.25Å; A87-V91 HydrophobicContact CB-CB 4.17Å; A87-V91 HydrophobicContact CB-CG1 3.88Å; A87-V127 HydrophobicContact CB-CG1 3.72Å; A87-H128 PolarHBondContact N-O 3.08Å; A87-Q129 CarbonylContact O-C 3.58Å; A87-Q129 VanDerWaalsContact O-CA 3.32Å; A87-Q129 WeakPolarHBondContact O-CA 3.36Å; A87-V130 WeakPolarHBondContact O-CG2 3.47Å; A87-V130 PolarHBondContact O-N 3.2Å
88T98.6Very high96.7Very high0 Ų023.4 Ų23.40%014%0.136CC..EExtended strand (participates in β ladder)trans-70.3157.3172.357.20000111.5P90 V91 Y92 V130 Y132 P149 G157 T159 W286T88-P90 VanDerWaalsContact C-N 3.33Å; T88-V91 PolarHBondContact O-N 3.04Å; T88-V91 WeakPolarHBondContact OG1-CB 3.38Å; T88-V91 WeakPolarHBondContact OG1-CG2 3.46Å; T88-Y92 PolarHBondContact O-N 2.86Å; T88-V130 VanDerWaalsContact CA-O 3.29Å; T88-V130 WeakPolarHBondContact CA-O 3.5Å; T88-V130 HydrophobicContact CG2-CG2 4.24Å; T88-Y132 HydrophobicContact CG2-CD1 4.29Å; T88-Y132 HydrophobicContact CG2-CE1 4.09Å; T88-P149 HydrophobicContact CG2-CB 4.23Å; T88-G157 WeakPolarHBondContact CG2-O 3.47Å; T88-G157 PolarHBondContact OG1-O 3.32Å; T88-T159 HydrophobicContact CG2-CG2 3.32Å; T88-W286 HydrophobicContact CG2-CH2 3.94Å; T88-W286 HydrophobicContact CG2-CZ3 3.76Å
89T98.1Very high96.9Very high25 Ų2519.6 Ų19.615%0.15311%0.113CC..Hα-helixtrans-51.6-43.7178.7-60.90000113.5Y92 K93 Q129T89-Y92 PolarHBondContact O-N 2.8Å; T89-K93 PolarHBondContact O-N 2.8Å; T89-Q129 PolarHBondContact OG1-OE1 3.34Å
90P98.2Very high97.1Very high0 Ų020.5 Ų20.50%011%0.114CC..Hα-helixtrans-71-36.1176.5-17.231.8000112.9T88 Y92 K93 M94 L156 M283 W286T88-P90 VanDerWaalsContact C-N 3.33Å; P90-Y92 VanDerWaalsContact C-N 3.29Å; P90-Y92 PolarHBondContact O-N 2.73Å; P90-K93 PolarHBondContact O-N 2.93Å; P90-M94 WeakPolarHBondContact O-CA 3.49Å; P90-M94 WeakPolarHBondContact O-CB 3.26Å; P90-M94 WeakPolarHBondContact O-CG 3.37Å; P90-M94 PolarHBondContact O-N 2.81Å; P90-L156 HydrophobicContact CB-CD2 4.39Å; P90-L156 HydrophobicContact CB-CG 4Å; P90-L156 WeakPolarHBondContact CB-O 3.47Å; P90-L156 HydrophobicContact CG-CG 4.35Å; P90-M283 HydrophobicContact CB-SD 3.69Å; P90-M283 HydrophobicContact CG-SD 3.87Å; P90-W286 HydrophobicContact CG-CB 4.02Å; P90-W286 HydrophobicContact CG-CD2 3.4Å; P90-W286 VanDerWaalsContact CG-CD2 3.4Å; P90-W286 HydrophobicContact CG-CE3 3.73Å; P90-W286 HydrophobicContact CG-CG 3.5Å; P90-W286 VanDerWaalsContact CG-CG 3.5Å; P90-W286 HydrophobicContact CG-CZ2 4.44Å; P90-W286 HydrophobicContact CG-CZ3 4.36Å
91V98.4Very high97.2Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-62.8-39.7175.6172.60000110.8L61 L69 A87 T88 G95L61-V91 HydrophobicContact CB-CG1 4.15Å; L69-V91 HydrophobicContact CD2-CG1 4.43Å; A87-V91 HydrophobicContact CB-CB 4.17Å; A87-V91 HydrophobicContact CB-CG1 3.88Å; T88-V91 PolarHBondContact O-N 3.04Å; T88-V91 WeakPolarHBondContact OG1-CB 3.38Å; T88-V91 WeakPolarHBondContact OG1-CG2 3.46Å; V91-G95 WeakPolarHBondContact O-CA 3.34Å; V91-G95 PolarHBondContact O-N 3.18Å
92Y98.1Very high97.2Very high30 Ų3018.4 Ų18.412%0.1189%0.093CC..Hα-helixtrans-59.4-60.7172.1165.8-106.9000112.1T88 T89 P90 G95 Q96 F124 V127 Q129T88-Y92 PolarHBondContact O-N 2.86Å; T89-Y92 PolarHBondContact O-N 2.8Å; P90-Y92 VanDerWaalsContact C-N 3.29Å; P90-Y92 PolarHBondContact O-N 2.73Å; Y92-G95 PolarHBondContact O-N 3.26Å; Y92-Q96 PolarHBondContact O-N 3.13Å; Y92-Q96 VanDerWaalsContact O-N 3.07Å; Y92-F124 HydrophobicContact CD2-CB 4.38Å; Y92-F124 AromaticContact CD2-CD1 3.65Å; Y92-F124 HydrophobicContact CD2-CD1 3.65Å; Y92-F124 HydrophobicContact CE2-CB 3.88Å; Y92-F124 AromaticContact CE2-CD1 3.97Å; Y92-F124 HydrophobicContact CE2-CD1 3.97Å; Y92-F124 HydrophobicContact CE2-CG 4.44Å; Y92-F124 VanDerWaalsContact CE2-O 3.3Å; Y92-F124 WeakPolarHBondContact CE2-O 3.34Å; Y92-F124 WeakPolarHBondContact O-CD1 3.5Å; Y92-F124 WeakPolarHBondContact O-CE1 3.1Å; Y92-V127 HydrophobicContact CD2-CB 3.69Å; Y92-V127 HydrophobicContact CD2-CG1 3.76Å; Y92-V127 HydrophobicContact CD2-CG2 4.23Å; Y92-V127 HydrophobicContact CE2-CB 4.24Å; Y92-V127 HydrophobicContact CG-CG1 4.26Å; Y92-Q129 HydrophobicContact CD1-CG 3.79Å; Y92-Q129 HydrophobicContact CD2-CG 4.49Å; Y92-Q129 HydrophobicContact CE1-CG 4.46Å; Y92-Q129 VanDerWaalsContact CE1-NE2 3.31Å; Y92-Q129 HydrophobicContact CG-CG 3.83Å
93K97.4Very high97.1Very high42 Ų4213.1 Ų13.118%0.1836%0.064CC..Hα-helixtrans-69.5-44.8-173.6-63.1-150.5-164.7-178.80113.1T89 P90 G95 Q96 M97 F279 M283T89-K93 PolarHBondContact O-N 2.8Å; P90-K93 PolarHBondContact O-N 2.93Å; K93-G95 VanDerWaalsContact C-N 3.34Å; K93-Q96 PolarHBondContact O-N 3.19Å; K93-M97 WeakPolarHBondContact O-CG 3.43Å; K93-M97 PolarHBondContact O-N 3.2Å; K93-F279 HydrophobicContact CB-CD2 4.06Å; K93-F279 HydrophobicContact CB-CE2 4.17Å; K93-F279 HydrophobicContact CB-CG 4.41Å; K93-F279 HydrophobicContact CD-CD1 3.97Å; K93-F279 HydrophobicContact CD-CE1 3.89Å; K93-F279 HydrophobicContact CD-CE2 4.5Å; K93-F279 HydrophobicContact CD-CG 4.34Å; K93-F279 HydrophobicContact CD-CZ 4.17Å; K93-M283 HydrophobicContact CB-CE 3.6Å; K93-M283 HydrophobicContact CD-CE 3.44Å; K93-M283 VanDerWaalsContact CD-CE 3.44Å; K93-M283 HydrophobicContact CG-CE 3.74Å
94M97.6Very high97Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-72-32.8179.5-62.7-59.6-167.900111.3Q64 P90 M97 F98 L156 A240 L244 V276 F279 A280Q64-M94 HydrophobicContact CB-CB 3.94Å; Q64-M94 HydrophobicContact CG-CB 3.91Å; P90-M94 WeakPolarHBondContact O-CA 3.49Å; P90-M94 WeakPolarHBondContact O-CB 3.26Å; P90-M94 WeakPolarHBondContact O-CG 3.37Å; P90-M94 PolarHBondContact O-N 2.81Å; M94-M97 PolarHBondContact O-N 3.48Å; M94-F98 WeakPolarHBondContact O-CB 3.42Å; M94-F98 PolarHBondContact O-N 3.33Å; M94-L156 HydrophobicContact CE-CD2 4.14Å; M94-A240 HydrophobicContact CB-CB 3.84Å; M94-A240 HydrophobicContact CG-CB 4.33Å; M94-A240 HydrophobicContact SD-CB 3.94Å; M94-L244 HydrophobicContact CE-CD1 4.28Å; M94-V276 WeakPolarHBondContact CE-O 3.24Å; M94-V276 HydrophobicContact SD-CG1 4.33Å; M94-F279 HydrophobicContact CE-CB 3.69Å; M94-F279 HydrophobicContact SD-CB 4.06Å; M94-F279 HydrophobicContact SD-CD2 4.47Å; M94-A280 HydrophobicContact CE-CB 3.97Å
95G97.6Very high96.9Very high0 Ų012.6 Ų12.60%06%0.057CC..Hα-helixtrans-62.3-43.7174.100000111.8V91 Y92 K93 M97 F98 M99V91-G95 WeakPolarHBondContact O-CA 3.34Å; V91-G95 PolarHBondContact O-N 3.18Å; Y92-G95 PolarHBondContact O-N 3.26Å; K93-G95 VanDerWaalsContact C-N 3.34Å; G95-M97 VanDerWaalsContact C-N 3.34Å; G95-M97 PolarHBondContact O-N 2.75Å; G95-F98 WeakPolarHBondContact O-CB 3.49Å; G95-F98 PolarHBondContact O-N 2.93Å; G95-F98 VanDerWaalsContact O-N 3.14Å; G95-M99 WeakPolarHBondContact O-CG 3.05Å; G95-M99 PolarHBondContact O-N 2.64Å
96Q97.4Very high96.5Very high28 Ų2813.8 Ų13.813%0.1316%0.061CC..Hα-helixtrans-60.6-45.2176.6-167.6179.322.600111.1Y92 K93 F98 M99 Y100 V120 D121 F124Y92-Q96 PolarHBondContact O-N 3.13Å; Y92-Q96 VanDerWaalsContact O-N 3.07Å; K93-Q96 PolarHBondContact O-N 3.19Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 3.42Å; Q96-M99 PolarHBondContact O-N 3.49Å; Q96-Y100 HydrophobicContact CG-CD2 4.48Å; Q96-Y100 HydrophobicContact CG-CE1 4.37Å; Q96-Y100 HydrophobicContact CG-CE2 3.95Å; Q96-Y100 PolarHBondContact NE2-OH 2.72Å; Q96-Y100 VanDerWaalsContact NE2-OH 3.14Å; Q96-Y100 PolarHBondContact O-N 3.24Å; Q96-V120 HydrophobicContact CG-CG1 4.4Å; Q96-D121 PolarHBondContact NE2-OD1 2.89Å; Q96-D121 VanDerWaalsContact NE2-OD1 3.17Å; Q96-F124 HydrophobicContact CB-CD1 3.84Å; Q96-F124 HydrophobicContact CB-CD2 4.27Å; Q96-F124 HydrophobicContact CB-CE1 4.01Å; Q96-F124 HydrophobicContact CB-CE2 4.41Å; Q96-F124 HydrophobicContact CB-CG 4Å; Q96-F124 HydrophobicContact CB-CZ 4.3Å; Q96-F124 HydrophobicContact CG-CB 4.48Å; Q96-F124 HydrophobicContact CG-CD1 4.48Å; Q96-F124 HydrophobicContact CG-CD2 4.3Å; Q96-F124 HydrophobicContact CG-CG 4.16Å
97M96.5Very high96.2Very high9 Ų914.3 Ų14.34%0.0446%0.064CC..Hα-helixtrans-61.4-39.8174.9-64.5-57.295.900112.3K93 M94 G95 M99 Y100 D101 V272 N275 V276 F279K93-M97 WeakPolarHBondContact O-CG 3.43Å; K93-M97 PolarHBondContact O-N 3.2Å; M94-M97 PolarHBondContact O-N 3.48Å; G95-M97 VanDerWaalsContact C-N 3.34Å; G95-M97 PolarHBondContact O-N 2.75Å; M97-M99 VanDerWaalsContact C-N 3.3Å; M97-M99 PolarHBondContact O-N 2.87Å; M97-Y100 HydrophobicContact CE-CD2 3.41Å; M97-Y100 VanDerWaalsContact CE-CD2 3.41Å; M97-Y100 HydrophobicContact CE-CE2 3.46Å; M97-Y100 VanDerWaalsContact CE-CE2 3.46Å; M97-Y100 PolarHBondContact O-N 2.79Å; M97-Y100 HydrophobicContact SD-CD2 4.34Å; M97-D101 WeakPolarHBondContact O-CB 3.18Å; M97-D101 PolarHBondContact O-N 3.22Å; M97-V272 HydrophobicContact CB-CG2 4.07Å; M97-V272 HydrophobicContact SD-CB 4.14Å; M97-V272 HydrophobicContact SD-CG1 4.34Å; M97-N275 HydrophobicContact CG-CB 4.43Å; M97-N275 HydrophobicContact SD-CB 3.49Å; M97-N275 WeakPolarHBondContact SD-CB 3.44Å; M97-V276 HydrophobicContact CB-CG2 3.94Å; M97-V276 HydrophobicContact CG-CG2 4.27Å; M97-F279 HydrophobicContact CE-CE2 4.07Å; M97-F279 HydrophobicContact CG-CD2 3.88Å; M97-F279 HydrophobicContact CG-CE2 3.68Å; M97-F279 HydrophobicContact SD-CE2 3.87Å
98F96Very high95.8Very high9 Ų915.1 Ų15.14%0.0397%0.071CC..Hα-helixtrans-59.5-44.2175.9-147.8-65.9000111Q64 L66 M94 G95 Q96 D101 F102 D238Q64-F98 WeakPolarHBondContact O-CB 3.21Å; Q64-F98 WeakPolarHBondContact O-CD2 3.22Å; Q64-F98 WeakPolarHBondContact O-CG 3.3Å; L66-F98 HydrophobicContact CB-CD1 4.38Å; L66-F98 HydrophobicContact CB-CE1 3.79Å; L66-F98 HydrophobicContact CB-CZ 4.46Å; M94-F98 WeakPolarHBondContact O-CB 3.42Å; M94-F98 PolarHBondContact O-N 3.33Å; G95-F98 WeakPolarHBondContact O-CB 3.49Å; G95-F98 PolarHBondContact O-N 2.93Å; G95-F98 VanDerWaalsContact O-N 3.14Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 3.42Å; F98-D101 PolarHBondContact O-N 2.88Å; F98-F102 VanDerWaalsContact O-CB 3.27Å; F98-F102 WeakPolarHBondContact O-CB 3.34Å; F98-F102 PolarHBondContact O-N 3.33Å; F98-D238 HydrophobicContact CE2-CB 3.87Å; F98-D238 HydrophobicContact CZ-CB 4.05Å
99M96.2Very high95.3Very high0 Ų015.7 Ų15.70%08%0.075CC..Hα-helixtrans-70.8-36.8-178.9-65-46.2-72.400113.1L66 L69 G70 P73 G95 Q96 M97 F102 F103 Y115 V120 F124L66-M99 HydrophobicContact CD1-SD 4.49Å; L69-M99 HydrophobicContact CD1-CG 3.58Å; L69-M99 HydrophobicContact CD1-SD 3.45Å; L69-M99 WeakPolarHBondContact CD1-SD 3.45Å; G70-M99 VanDerWaalsContact O-CE 3.27Å; G70-M99 WeakPolarHBondContact O-CE 3.41Å; P73-M99 HydrophobicContact CG-CE 3.68Å; P73-M99 HydrophobicContact CG-CG 4.42Å; G95-M99 WeakPolarHBondContact O-CG 3.05Å; G95-M99 PolarHBondContact O-N 2.64Å; Q96-M99 PolarHBondContact O-N 3.49Å; M97-M99 VanDerWaalsContact C-N 3.3Å; M97-M99 PolarHBondContact O-N 2.87Å; M99-F102 HydrophobicContact CE-CD1 4.44Å; M99-F103 VanDerWaalsContact O-CB 3.29Å; M99-F103 WeakPolarHBondContact O-CB 3.49Å; M99-F103 PolarHBondContact O-N 3.49Å; M99-Y115 HydrophobicContact CE-CE1 4.29Å; M99-Y115 HydrophobicContact CE-CE2 4.18Å; M99-Y115 WeakPolarHBondContact CE-OH 3.34Å; M99-V120 HydrophobicContact CB-CG1 3.65Å; M99-V120 HydrophobicContact CB-CG2 4.05Å; M99-F124 HydrophobicContact CB-CE2 4.42Å; M99-F124 HydrophobicContact CG-CE2 3.91Å; M99-F124 HydrophobicContact CG-CZ 4.28Å
100Y96.7Very high94.9Very high36 Ų3617.9 Ų17.914%0.1418%0.084CC..Hα-helixtrans-62.3-48.1171.5-68.8-23.3000112.3Q96 M97 F102 F103 Q104 L117 V120 D121Q96-Y100 HydrophobicContact CG-CD2 4.48Å; Q96-Y100 HydrophobicContact CG-CE1 4.37Å; Q96-Y100 HydrophobicContact CG-CE2 3.95Å; Q96-Y100 PolarHBondContact NE2-OH 2.72Å; Q96-Y100 VanDerWaalsContact NE2-OH 3.14Å; Q96-Y100 PolarHBondContact O-N 3.24Å; M97-Y100 HydrophobicContact CE-CD2 3.41Å; M97-Y100 VanDerWaalsContact CE-CD2 3.41Å; M97-Y100 HydrophobicContact CE-CE2 3.46Å; M97-Y100 VanDerWaalsContact CE-CE2 3.46Å; M97-Y100 PolarHBondContact O-N 2.79Å; M97-Y100 HydrophobicContact SD-CD2 4.34Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.43Å; Y100-F103 PolarHBondContact O-N 3.46Å; Y100-Q104 WeakPolarHBondContact O-CB 3.46Å; Y100-Q104 PolarHBondContact O-N 2.86Å; Y100-L117 HydrophobicContact CD1-CD2 3.53Å; Y100-L117 HydrophobicContact CE1-CD2 4.08Å; Y100-L117 HydrophobicContact CG-CD2 4.43Å; Y100-V120 HydrophobicContact CD1-CB 4.45Å; Y100-V120 HydrophobicContact CD1-CG1 3.97Å; Y100-V120 HydrophobicContact CE1-CB 4.26Å; Y100-V120 HydrophobicContact CE1-CG1 3.85Å; Y100-D121 WeakPolarHBondContact CE1-OD1 3.26Å; Y100-D121 PolarHBondContact OH-OD1 2.84Å
101D95.7Very high94.3Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-63.6-40.7179.5-168.350.3000111.8M97 F98 S105 T239 Y271 V272 S329M97-D101 WeakPolarHBondContact O-CB 3.18Å; M97-D101 PolarHBondContact O-N 3.22Å; F98-D101 PolarHBondContact O-N 2.88Å; D101-S105 VanDerWaalsContact O-CB 3.23Å; D101-S105 WeakPolarHBondContact O-CB 3.15Å; D101-S105 PolarHBondContact O-N 3.23Å; D101-S105 PolarHBondContact O-OG 2.97Å; D101-T239 HydrophobicContact CB-CG2 3.53Å; D101-T239 VanDerWaalsContact OD2-CG2 3.29Å; D101-T239 WeakPolarHBondContact OD2-CG2 3.44Å; D101-T239 PolarHBondContact OD2-OG1 3.17Å; D101-Y271 WeakPolarHBondContact OD1-CB 3.44Å; D101-Y271 VanDerWaalsContact OD1-CD2 3.31Å; D101-Y271 WeakPolarHBondContact OD1-CD2 3.34Å; D101-Y271 PolarHBondContact OD1-N 3.04Å; D101-V272 HydrophobicContact CB-CG2 3.92Å; D101-S329 WeakPolarHBondContact OD2-CB 3.27Å; D101-S329 PolarHBondContact OD2-OG 2.89Å
102F94.5Very high93.7Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-68.3-45.4177.8177.4-108.6000112.1W37 L66 F98 M99 Y100 Q104 S105 R106 F112 Y115 L330W37-F102 AromaticContact NE1-CZ 3.9Å; L66-F102 HydrophobicContact CD1-CD1 3.69Å; L66-F102 HydrophobicContact CD1-CD2 4.1Å; L66-F102 HydrophobicContact CD1-CE1 3.71Å; L66-F102 HydrophobicContact CD1-CE2 4.1Å; L66-F102 HydrophobicContact CD1-CG 3.9Å; L66-F102 HydrophobicContact CD1-CZ 3.91Å; L66-F102 HydrophobicContact CD2-CD2 3.94Å; L66-F102 HydrophobicContact CD2-CE2 3.61Å; L66-F102 HydrophobicContact CD2-CZ 3.99Å; F98-F102 VanDerWaalsContact O-CB 3.27Å; F98-F102 WeakPolarHBondContact O-CB 3.34Å; F98-F102 PolarHBondContact O-N 3.33Å; M99-F102 HydrophobicContact CE-CD1 4.44Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.43Å; F102-Q104 PolarHBondContact O-N 3.16Å; F102-S105 PolarHBondContact O-N 2.92Å; F102-R106 HydrophobicContact CD2-CG 4.22Å; F102-R106 HydrophobicContact CE1-CG 4.19Å; F102-R106 HydrophobicContact CE2-CG 3.81Å; F102-R106 HydrophobicContact CZ-CG 3.79Å; F102-R106 WeakPolarHBondContact O-CB 3.35Å; F102-R106 WeakPolarHBondContact O-CG 3.45Å; F102-R106 PolarHBondContact O-N 3.19Å; F102-F112 HydrophobicContact CE1-CZ 4.43Å; F102-Y115 WeakPolarHBondContact CD1-OH 3.06Å; F102-Y115 WeakPolarHBondContact CE1-OH 3.36Å; F102-L330 HydrophobicContact CD2-CD1 4.45Å; F102-L330 HydrophobicContact CD2-CD2 4.03Å
103F94.8Very high93.1Very high24 Ų2427.8 Ų27.811%0.10515%0.146CC..Hα-helixtrans-57.5-49.5174.5175.7-89.4000110.6M99 Y100 S105 R106 H107 F112 Y115 L117M99-F103 VanDerWaalsContact O-CB 3.29Å; M99-F103 WeakPolarHBondContact O-CB 3.49Å; M99-F103 PolarHBondContact O-N 3.49Å; Y100-F103 PolarHBondContact O-N 3.46Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.37Å; F103-R106 PolarHBondContact O-N 2.96Å; F103-H107 HydrophobicContact CE1-CB 4.2Å; F103-H107 HydrophobicContact CZ-CB 4.5Å; F103-H107 VanDerWaalsContact O-CB 3.27Å; F103-H107 WeakPolarHBondContact O-CB 3.4Å; F103-H107 PolarHBondContact O-N 2.87Å; F103-F112 AromaticContact CD2-CD1 3.72Å; F103-F112 HydrophobicContact CD2-CD1 3.72Å; F103-F112 AromaticContact CD2-CE1 3.9Å; F103-F112 HydrophobicContact CD2-CE1 3.9Å; F103-F112 AromaticContact CE2-CD1 3.84Å; F103-F112 HydrophobicContact CE2-CD1 3.84Å; F103-F112 HydrophobicContact CE2-CE1 4.35Å; F103-Y115 HydrophobicContact CB-CE2 4.4Å; F103-Y115 HydrophobicContact CD2-CD2 4.35Å; F103-Y115 HydrophobicContact CD2-CE2 4.14Å; F103-Y115 WeakPolarHBondContact CE2-O 3.47Å; F103-L117 HydrophobicContact CB-CD2 4.05Å; F103-L117 HydrophobicContact CD1-CD1 4.14Å; F103-L117 HydrophobicContact CD1-CD2 3.51Å; F103-L117 HydrophobicContact CD1-CG 3.59Å; F103-L117 HydrophobicContact CE1-CD1 4.07Å; F103-L117 HydrophobicContact CE1-CD2 4.17Å; F103-L117 HydrophobicContact CE1-CG 3.69Å; F103-L117 HydrophobicContact CG-CD2 3.84Å; F103-L117 HydrophobicContact CG-CG 4.19Å; F103-L117 HydrophobicContact CZ-CG 4.36Å
104Q93.3Very high92.7Very high43 Ų4329.3 Ų29.320%0.20115%0.154CC..Hα-helixtrans-64.4-39.5-178.5-167.665.328.300111.9Y100 F102 H107 A108 Y271 F667Y100-Q104 WeakPolarHBondContact O-CB 3.46Å; Y100-Q104 PolarHBondContact O-N 2.86Å; F102-Q104 PolarHBondContact O-N 3.16Å; Q104-H107 PolarHBondContact O-N 3.38Å; Q104-A108 VanDerWaalsContact O-CB 3.24Å; Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 3.47Å; Q104-Y271 HydrophobicContact CB-CD1 4.4Å; Q104-Y271 HydrophobicContact CB-CD2 3.66Å; Q104-Y271 HydrophobicContact CB-CE2 3.95Å; Q104-Y271 HydrophobicContact CB-CG 3.91Å; Q104-Y271 HydrophobicContact CG-CD1 3.53Å; Q104-Y271 HydrophobicContact CG-CD2 3.63Å; Q104-Y271 HydrophobicContact CG-CE1 3.59Å; Q104-Y271 HydrophobicContact CG-CE2 3.7Å; Q104-Y271 HydrophobicContact CG-CG 3.55Å; Q104-F667 HydrophobicContact CG-CE1 4.48Å
105S93.3Very high92.4Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-63.8-39.8176.4-65.60000112.8D101 F102 F103 S109D101-S105 VanDerWaalsContact O-CB 3.23Å; D101-S105 WeakPolarHBondContact O-CB 3.15Å; D101-S105 PolarHBondContact O-N 3.23Å; D101-S105 PolarHBondContact O-OG 2.97Å; F102-S105 PolarHBondContact O-N 2.92Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.37Å; S105-S109 PolarHBondContact O-OG 2.91Å
106R91.4Very high92.2Very high24 Ų2432.5 Ų32.59%0.09117%0.173CC..Hα-helixtrans-69.9-51.1174.8-74.5-82.6178.1152.52.6110.7E39 F102 F103 A108 S109 E110 F112E39-R106 PolarHBondContact O-NH2 2.89Å; E39-R106 VanDerWaalsContact O-NH2 3.14Å; F102-R106 HydrophobicContact CD2-CG 4.22Å; F102-R106 HydrophobicContact CE1-CG 4.19Å; F102-R106 HydrophobicContact CE2-CG 3.81Å; F102-R106 HydrophobicContact CZ-CG 3.79Å; F102-R106 WeakPolarHBondContact O-CB 3.35Å; F102-R106 WeakPolarHBondContact O-CG 3.45Å; F102-R106 PolarHBondContact O-N 3.19Å; F103-R106 PolarHBondContact O-N 2.96Å; R106-A108 PolarHBondContact O-N 3.24Å; R106-S109 CarbonylContact O-C 3.59Å; R106-S109 PolarHBondContact O-N 3.07Å; R106-S109 PolarHBondContact O-OG 3.08Å; R106-S109 VanDerWaalsContact O-OG 3.14Å; R106-E110 WeakPolarHBondContact CD-OE1 3.46Å; R106-E110 IonicContact CZ-OE1 3.37Å; R106-E110 IonicContact NE-OE1 3.66Å; R106-E110 IonicContact NH1-OE1 3.23Å; R106-E110 PolarHBondContact NH1-OE1 2.7Å; R106-E110 IonicContact NH1-OE2 3.81Å; R106-E110 WeakPolarHBondContact O-CG 3.5Å; R106-E110 PolarHBondContact O-N 3.18Å; R106-F112 HydrophobicContact CB-CB 4.03Å; R106-F112 HydrophobicContact CB-CD2 3.75Å; R106-F112 HydrophobicContact CB-CE2 4.31Å; R106-F112 HydrophobicContact CB-CG 3.85Å; R106-F112 HydrophobicContact CG-CD2 4.11Å; R106-F112 HydrophobicContact CG-CE2 4.26Å
107H91.5Very high92Very high30 Ų3032.4 Ų32.414%0.13917%0.173CC..Hα-helixtrans-56.3-36.4177.5-178.9-95.4000113F103 Q104 S109 R408 L670F103-H107 HydrophobicContact CE1-CB 4.2Å; F103-H107 HydrophobicContact CZ-CB 4.5Å; F103-H107 VanDerWaalsContact O-CB 3.27Å; F103-H107 WeakPolarHBondContact O-CB 3.4Å; F103-H107 PolarHBondContact O-N 2.87Å; Q104-H107 PolarHBondContact O-N 3.38Å; H107-S109 VanDerWaalsContact C-N 3.25Å; H107-S109 PolarHBondContact O-N 2.9Å; H107-R408 PolarHBondContact CE1-NE 2.98Å; H107-R408 PolarHBondContact O-NE 3.2Å; H107-R408 PolarHBondContact O-NH2 3.36Å; H107-L670 VanDerWaalsContact NE2-CD2 3.29Å; H107-L670 WeakPolarHBondContact NE2-CD2 3.45Å
108A89.9Confident92Very high17 Ų1737.6 Ų37.614%0.1420%0.201CC..THydrogen-bonded Turntrans-69.9-18176.400000114.1Q104 R106 Q407 R408Q104-A108 VanDerWaalsContact O-CB 3.24Å; Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 3.47Å; R106-A108 PolarHBondContact O-N 3.24Å; A108-Q407 CarbonylContact O-C 3.51Å; A108-Q407 WeakPolarHBondContact O-CA 3.47Å; A108-R408 WeakPolarHBondContact O-CB 3.46Å; A108-R408 PolarHBondContact O-N 3.44Å
109S88.7Confident92Very high13 Ų1338.6 Ų38.69%0.09121%0.207CC..THydrogen-bonded Turntrans-115.8-24.2-176.352.60000114S105 R106 H107 C335 S406S105-S109 PolarHBondContact O-OG 2.91Å; R106-S109 CarbonylContact O-C 3.59Å; R106-S109 PolarHBondContact O-N 3.07Å; R106-S109 PolarHBondContact O-OG 3.08Å; R106-S109 VanDerWaalsContact O-OG 3.14Å; H107-S109 VanDerWaalsContact C-N 3.25Å; H107-S109 PolarHBondContact O-N 2.9Å; S109-C335 WeakPolarHBondContact OG-CB 3.47Å; S109-S406 WeakPolarHBondContact CB-O 3.3Å; S109-S406 WeakPolarHBondContact O-CB 3.27Å
110E89.1Confident92Very high71 Ų7138.6 Ų38.633%0.33221%0.207SC..SBendtrans-147.3165.8-17860.2-178.3-164.300111.9R106 F112 R408 C676R106-E110 WeakPolarHBondContact CD-OE1 3.46Å; R106-E110 IonicContact CZ-OE1 3.37Å; R106-E110 IonicContact NE-OE1 3.66Å; R106-E110 IonicContact NH1-OE1 3.23Å; R106-E110 PolarHBondContact NH1-OE1 2.7Å; R106-E110 IonicContact NH1-OE2 3.81Å; R106-E110 WeakPolarHBondContact O-CG 3.5Å; R106-E110 PolarHBondContact O-N 3.18Å; E110-F112 HydrophobicContact CG-CB 4.36Å; E110-F112 PolarHBondContact O-N 3.38Å; E110-R408 PolarHBondContact O-NH2 2.9Å; E110-C676 VanDerWaalsContact C-SG 3.58Å
111D86.4Confident92.1Very high113 Ų11339.4 Ų39.460%0.60421%0.214SC*.  trans-79.975.4170.4-69.6-39.6000109.5S113 R408D111-S113 PolarHBondContact O-N 3.26Å; D111-R408 IonicContact OD1-CZ 2.71Å; D111-R408 IonicContact OD1-NH1 3.55Å; D111-R408 IonicContact OD1-NH2 3.5Å; D111-R408 PolarHBondContact OD1-NH2 3.1Å
112F85.7Confident92.1Very high17 Ų1743.1 Ų43.18%0.07523%0.233CC..  trans-70.7116.8-177.9-171.6-101000111.2W37 F102 F103 R106 E110 H114 Y115W37-F112 HydrophobicContact CH2-CE2 4.1Å; W37-F112 HydrophobicContact CH2-CZ 4.14Å; W37-F112 HydrophobicContact CZ2-CE2 4.17Å; F102-F112 HydrophobicContact CE1-CZ 4.43Å; F103-F112 AromaticContact CD2-CD1 3.72Å; F103-F112 HydrophobicContact CD2-CD1 3.72Å; F103-F112 AromaticContact CD2-CE1 3.9Å; F103-F112 HydrophobicContact CD2-CE1 3.9Å; F103-F112 AromaticContact CE2-CD1 3.84Å; F103-F112 HydrophobicContact CE2-CD1 3.84Å; F103-F112 HydrophobicContact CE2-CE1 4.35Å; R106-F112 HydrophobicContact CB-CB 4.03Å; R106-F112 HydrophobicContact CB-CD2 3.75Å; R106-F112 HydrophobicContact CB-CE2 4.31Å; R106-F112 HydrophobicContact CB-CG 3.85Å; R106-F112 HydrophobicContact CG-CD2 4.11Å; R106-F112 HydrophobicContact CG-CE2 4.26Å; E110-F112 HydrophobicContact CG-CB 4.36Å; E110-F112 PolarHBondContact O-N 3.38Å; F112-H114 HydrophobicContact CE1-CB 4.19Å; F112-H114 HydrophobicContact CE2-CB 4.15Å; F112-H114 AromaticContact CE2-CD2 3.65Å; F112-H114 HydrophobicContact CZ-CB 3.79Å; F112-Y115 HydrophobicContact CE1-CD1 4.01Å; F112-Y115 HydrophobicContact CE1-CD2 4.15Å; F112-Y115 AromaticContact CE1-CE1 3.79Å; F112-Y115 HydrophobicContact CE1-CE1 3.79Å; F112-Y115 AromaticContact CE1-CE2 3.91Å; F112-Y115 HydrophobicContact CE1-CE2 3.91Å; F112-Y115 HydrophobicContact CE1-CG 4.18Å; F112-Y115 AromaticContact CE1-CZ 3.7Å; F112-Y115 HydrophobicContact CZ-CD1 4.01Å; F112-Y115 AromaticContact CZ-CE1 3.53Å; F112-Y115 HydrophobicContact CZ-CE1 3.53Å; F112-Y115 HydrophobicContact CZ-CE2 4.39Å; F112-Y115 AromaticContact CZ-CZ 3.72Å
113S85.1Confident92.3Very high108 Ų10843.1 Ų43.176%0.75523%0.233SC*.  trans-126.69.9-173.6520000114.1D111D111-S113 PolarHBondContact O-N 3.26Å
114H88.5Confident92.4Very high73 Ų7342 Ų4234%0.33823%0.228SC..SBendtrans-70.3-41.5-179.2-71-77.9000112.4W37 Y74 F112W37-H114 HydrophobicContact CH2-CB 3.82Å; W37-H114 AromaticContact CH2-CD2 3.59Å; W37-H114 AromaticContact CH2-CG 3.57Å; W37-H114 HydrophobicContact CZ3-CB 4.22Å; Y74-H114 HydrophobicContact CD2-CB 4.32Å; Y74-H114 VanDerWaalsContact CD2-O 3.23Å; Y74-H114 WeakPolarHBondContact CD2-O 3.45Å; F112-H114 HydrophobicContact CE1-CB 4.19Å; F112-H114 HydrophobicContact CE2-CB 4.15Å; F112-H114 AromaticContact CE2-CD2 3.65Å; F112-H114 HydrophobicContact CZ-CB 3.79Å
115Y92.1Very high92.6Very high4 Ų445.9 Ų45.92%0.01625%0.25CS..  trans-157.3161.2175.258-99.3000109.2W37 P73 M99 F102 F103 F112 D119 V120W37-Y115 HydrophobicContact CE3-CE1 4.36Å; W37-Y115 HydrophobicContact CZ3-CD1 4.42Å; W37-Y115 AromaticContact CZ3-CE1 3.98Å; W37-Y115 HydrophobicContact CZ3-CE1 3.98Å; P73-Y115 HydrophobicContact CB-CD1 4.13Å; P73-Y115 HydrophobicContact CB-CD2 3.66Å; P73-Y115 HydrophobicContact CB-CE1 4.5Å; P73-Y115 HydrophobicContact CB-CE2 4.1Å; P73-Y115 HydrophobicContact CB-CG 3.7Å; P73-Y115 HydrophobicContact CG-CD2 4.33Å; P73-Y115 HydrophobicContact CG-CE2 4.28Å; M99-Y115 HydrophobicContact CE-CE1 4.29Å; M99-Y115 HydrophobicContact CE-CE2 4.18Å; M99-Y115 WeakPolarHBondContact CE-OH 3.34Å; F102-Y115 WeakPolarHBondContact CD1-OH 3.06Å; F102-Y115 WeakPolarHBondContact CE1-OH 3.36Å; F103-Y115 HydrophobicContact CB-CE2 4.4Å; F103-Y115 HydrophobicContact CD2-CD2 4.35Å; F103-Y115 HydrophobicContact CD2-CE2 4.14Å; F103-Y115 WeakPolarHBondContact CE2-O 3.47Å; F112-Y115 HydrophobicContact CE1-CD1 4.01Å; F112-Y115 HydrophobicContact CE1-CD2 4.15Å; F112-Y115 AromaticContact CE1-CE1 3.79Å; F112-Y115 HydrophobicContact CE1-CE1 3.79Å; F112-Y115 AromaticContact CE1-CE2 3.91Å; F112-Y115 HydrophobicContact CE1-CE2 3.91Å; F112-Y115 HydrophobicContact CE1-CG 4.18Å; F112-Y115 AromaticContact CE1-CZ 3.7Å; F112-Y115 HydrophobicContact CZ-CD1 4.01Å; F112-Y115 AromaticContact CZ-CE1 3.53Å; F112-Y115 HydrophobicContact CZ-CE1 3.53Å; F112-Y115 HydrophobicContact CZ-CE2 4.39Å; F112-Y115 AromaticContact CZ-CZ 3.72Å; Y115-D119 VanDerWaalsContact CA-OD2 3.27Å; Y115-D119 WeakPolarHBondContact CA-OD2 3.47Å; Y115-D119 WeakPolarHBondContact CB-OD2 3.33Å; Y115-V120 HydrophobicContact CD2-CG2 3.96Å; Y115-V120 HydrophobicContact CE2-CG2 3.82Å
116T93.7Very high92.7Very high63 Ų6347.9 Ų47.939%0.38726%0.259SS..  trans-102175.4178.668.30000112.2D118 D119 V120T116-D118 VanDerWaalsContact C-N 3.27Å; T116-D118 PolarHBondContact OG1-N 3.41Å; T116-D119 PolarHBondContact N-OD2 2.88Å; T116-D119 WeakPolarHBondContact O-CB 3.49Å; T116-D119 PolarHBondContact O-N 3.3Å; T116-D119 PolarHBondContact OG1-N 2.99Å; T116-D119 PolarHBondContact OG1-OD2 2.88Å; T116-V120 PolarHBondContact O-N 3.04Å
117L93.8Very high93Very high27 Ų2747.3 Ų47.314%0.14126%0.259CS..Hα-helixtrans-63.6-34.2170.3-69.1173.9000112.1Y100 F103 D119 V120 D121 F667Y100-L117 HydrophobicContact CD1-CD2 3.53Å; Y100-L117 HydrophobicContact CE1-CD2 4.08Å; Y100-L117 HydrophobicContact CG-CD2 4.43Å; F103-L117 HydrophobicContact CB-CD2 4.05Å; F103-L117 HydrophobicContact CD1-CD1 4.14Å; F103-L117 HydrophobicContact CD1-CD2 3.51Å; F103-L117 HydrophobicContact CD1-CG 3.59Å; F103-L117 HydrophobicContact CE1-CD1 4.07Å; F103-L117 HydrophobicContact CE1-CD2 4.17Å; F103-L117 HydrophobicContact CE1-CG 3.69Å; F103-L117 HydrophobicContact CG-CD2 3.84Å; F103-L117 HydrophobicContact CG-CG 4.19Å; F103-L117 HydrophobicContact CZ-CG 4.36Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.02Å; L117-V120 WeakPolarHBondContact O-CA 3.31Å; L117-V120 VanDerWaalsContact O-CB 3.3Å; L117-V120 WeakPolarHBondContact O-CB 3.43Å; L117-V120 PolarHBondContact O-N 3.49Å; L117-D121 PolarHBondContact O-N 2.84Å; L117-F667 HydrophobicContact CD1-CB 3.79Å; L117-F667 HydrophobicContact CD1-CD1 4.49Å; L117-F667 HydrophobicContact CD1-CG 4.21Å
118D95.5Very high93.3Very high118 Ų11850.7 Ų50.763%0.63127%0.274SS*.Hα-helixtrans-62.1-37.6174.1-59.3-36.4000111.6T116 V120 D121 L122T116-D118 VanDerWaalsContact C-N 3.27Å; T116-D118 PolarHBondContact OG1-N 3.41Å; D118-V120 VanDerWaalsContact C-N 3.29Å; D118-V120 PolarHBondContact O-N 3.05Å; D118-D121 PolarHBondContact O-N 2.82Å; D118-L122 VanDerWaalsContact O-CB 3.32Å; D118-L122 WeakPolarHBondContact O-CB 3.39Å; D118-L122 PolarHBondContact O-N 3.39Å
119D96.1Very high93.7Very high30 Ų3054.1 Ų54.116%0.1629%0.287CS..Hα-helixtrans-66.6-32.9174.7-65.6-39.3000111.8P73 G77 Y115 T116 L117 A123P73-D119 HydrophobicContact CB-CB 4.29Å; G77-D119 WeakPolarHBondContact CA-OD1 3.36Å; Y115-D119 VanDerWaalsContact CA-OD2 3.27Å; Y115-D119 WeakPolarHBondContact CA-OD2 3.47Å; Y115-D119 WeakPolarHBondContact CB-OD2 3.33Å; T116-D119 PolarHBondContact N-OD2 2.88Å; T116-D119 WeakPolarHBondContact O-CB 3.49Å; T116-D119 PolarHBondContact O-N 3.3Å; T116-D119 PolarHBondContact OG1-N 2.99Å; T116-D119 PolarHBondContact OG1-OD2 2.88Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.02Å; D119-A123 VanDerWaalsContact O-CB 3.23Å; D119-A123 WeakPolarHBondContact O-CB 3.16Å; D119-A123 PolarHBondContact O-N 3.2Å
120V96.9Very high94.2Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-64.2-50172.7177.80000109.2P73 Q96 M99 Y100 Y115 T116 L117 D118 L122 A123 F124P73-V120 HydrophobicContact CB-CG2 4.06Å; P73-V120 HydrophobicContact CG-CB 4.46Å; P73-V120 HydrophobicContact CG-CG2 3.89Å; Q96-V120 HydrophobicContact CG-CG1 4.4Å; M99-V120 HydrophobicContact CB-CG1 3.65Å; M99-V120 HydrophobicContact CB-CG2 4.05Å; Y100-V120 HydrophobicContact CD1-CB 4.45Å; Y100-V120 HydrophobicContact CD1-CG1 3.97Å; Y100-V120 HydrophobicContact CE1-CB 4.26Å; Y100-V120 HydrophobicContact CE1-CG1 3.85Å; Y115-V120 HydrophobicContact CD2-CG2 3.96Å; Y115-V120 HydrophobicContact CE2-CG2 3.82Å; T116-V120 PolarHBondContact O-N 3.04Å; L117-V120 WeakPolarHBondContact O-CA 3.31Å; L117-V120 VanDerWaalsContact O-CB 3.3Å; L117-V120 WeakPolarHBondContact O-CB 3.43Å; L117-V120 PolarHBondContact O-N 3.49Å; D118-V120 VanDerWaalsContact C-N 3.29Å; D118-V120 PolarHBondContact O-N 3.05Å; V120-L122 PolarHBondContact O-N 2.97Å; V120-A123 PolarHBondContact O-N 3.43Å; V120-F124 HydrophobicContact CG1-CD2 3.93Å; V120-F124 HydrophobicContact CG1-CE2 4.15Å; V120-F124 VanDerWaalsContact O-CD2 3.31Å; V120-F124 WeakPolarHBondContact O-CD2 3.44Å; V120-F124 PolarHBondContact O-N 3.49Å
121D97.3Very high94.6Very high53 Ų5355.5 Ų55.528%0.28329%0.291SS..Hα-helixtrans-61.1-47.1-179.9-69.4-20.8000111.6Q96 Y100 L117 D118 A123 F124 D125Q96-D121 PolarHBondContact NE2-OD1 2.89Å; Q96-D121 VanDerWaalsContact NE2-OD1 3.17Å; Y100-D121 WeakPolarHBondContact CE1-OD1 3.26Å; Y100-D121 PolarHBondContact OH-OD1 2.84Å; L117-D121 PolarHBondContact O-N 2.84Å; D118-D121 PolarHBondContact O-N 2.82Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 3.46Å; D121-F124 PolarHBondContact O-N 3.38Å; D121-F124 VanDerWaalsContact O-N 3.15Å; D121-D125 PolarHBondContact O-N 2.89Å
122L96.6Very high95.1Very high77 Ų7752.7 Ų52.740%0.40327%0.272SS..Hα-helixtrans-57.9-41.4176-176.165.5000112.1V76 D118 V120 D125 H126V76-L122 HydrophobicContact CG1-CD2 3.9Å; V76-L122 HydrophobicContact CG1-CG 3.78Å; D118-L122 VanDerWaalsContact O-CB 3.32Å; D118-L122 WeakPolarHBondContact O-CB 3.39Å; D118-L122 PolarHBondContact O-N 3.39Å; V120-L122 PolarHBondContact O-N 2.97Å; L122-D125 PolarHBondContact O-N 3.19Å; L122-H126 PolarHBondContact O-ND1 2.85Å
123A97.6Very high95.6Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-65.3-41.7177.600000112.8L72 P73 V76 D119 V120 D121 D125 H126L72-A123 HydrophobicContact CD2-CB 4.26Å; L72-A123 HydrophobicContact CG-CB 4.04Å; P73-A123 HydrophobicContact CB-CB 4.47Å; P73-A123 HydrophobicContact CG-CB 4.43Å; V76-A123 HydrophobicContact CB-CB 4.07Å; V76-A123 HydrophobicContact CG1-CB 4.49Å; V76-A123 HydrophobicContact CG2-CB 3.97Å; D119-A123 VanDerWaalsContact O-CB 3.23Å; D119-A123 WeakPolarHBondContact O-CB 3.16Å; D119-A123 PolarHBondContact O-N 3.2Å; V120-A123 PolarHBondContact O-N 3.43Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 3.46Å; A123-D125 VanDerWaalsContact C-N 3.35Å; A123-H126 PolarHBondContact O-N 3.3Å
124F97.6Very high96.1Very high1 Ų155.6 Ų55.60%0.00427%0.274CS..Hα-helixtrans-75.6-23.8179.5-82.1-92.7000112.3L69 Y92 Q96 M99 V120 D121 H126 V127L69-F124 HydrophobicContact CD1-CZ 4.23Å; L69-F124 HydrophobicContact CD2-CZ 4.18Å; Y92-F124 HydrophobicContact CD2-CB 4.38Å; Y92-F124 AromaticContact CD2-CD1 3.65Å; Y92-F124 HydrophobicContact CD2-CD1 3.65Å; Y92-F124 HydrophobicContact CE2-CB 3.88Å; Y92-F124 AromaticContact CE2-CD1 3.97Å; Y92-F124 HydrophobicContact CE2-CD1 3.97Å; Y92-F124 HydrophobicContact CE2-CG 4.44Å; Y92-F124 VanDerWaalsContact CE2-O 3.3Å; Y92-F124 WeakPolarHBondContact CE2-O 3.34Å; Y92-F124 WeakPolarHBondContact O-CD1 3.5Å; Y92-F124 WeakPolarHBondContact O-CE1 3.1Å; Q96-F124 HydrophobicContact CB-CD1 3.84Å; Q96-F124 HydrophobicContact CB-CD2 4.27Å; Q96-F124 HydrophobicContact CB-CE1 4.01Å; Q96-F124 HydrophobicContact CB-CE2 4.41Å; Q96-F124 HydrophobicContact CB-CG 4Å; Q96-F124 HydrophobicContact CB-CZ 4.3Å; Q96-F124 HydrophobicContact CG-CB 4.48Å; Q96-F124 HydrophobicContact CG-CD1 4.48Å; Q96-F124 HydrophobicContact CG-CD2 4.3Å; Q96-F124 HydrophobicContact CG-CG 4.16Å; M99-F124 HydrophobicContact CB-CE2 4.42Å; M99-F124 HydrophobicContact CG-CE2 3.91Å; M99-F124 HydrophobicContact CG-CZ 4.28Å; V120-F124 HydrophobicContact CG1-CD2 3.93Å; V120-F124 HydrophobicContact CG1-CE2 4.15Å; V120-F124 VanDerWaalsContact O-CD2 3.31Å; V120-F124 WeakPolarHBondContact O-CD2 3.44Å; V120-F124 PolarHBondContact O-N 3.49Å; D121-F124 PolarHBondContact O-N 3.38Å; D121-F124 VanDerWaalsContact O-N 3.15Å; F124-H126 PolarHBondContact O-N 2.99Å; F124-V127 HydrophobicContact CD1-CG2 4.27Å; F124-V127 VanDerWaalsContact O-CB 3.27Å; F124-V127 WeakPolarHBondContact O-CB 3.44Å; F124-V127 WeakPolarHBondContact O-CG2 3.48Å; F124-V127 PolarHBondContact O-N 3.24Å
125D97Very high96.5Very high124 Ų12456.3 Ų56.366%0.66328%0.284SS*.Hα-helixtrans-64.3-26170.8-77.4-14.7000113.3D121 L122 A123 V127D121-D125 PolarHBondContact O-N 2.89Å; L122-D125 PolarHBondContact O-N 3.19Å; A123-D125 VanDerWaalsContact C-N 3.35Å; D125-V127 PolarHBondContact O-N 3.23Å
126H96.1Very high96.8Very high42 Ų4257.4 Ų57.419%0.19429%0.29CS..THydrogen-bonded Turntrans-76.8-6.4174-7170.3000113.2N82 V85 L122 A123 F124 H128N82-H126 PolarHBondContact OD1-NE2 3.33Å; V85-H126 HydrophobicContact CG2-CB 4.01Å; V85-H126 PolarHBondContact N-O 3.47Å; L122-H126 PolarHBondContact O-ND1 2.85Å; A123-H126 PolarHBondContact O-N 3.3Å; F124-H126 PolarHBondContact O-N 2.99Å; H126-H128 PolarHBondContact O-N 3.38Å
127V98.2Very high96.9Very high12 Ų1257.7 Ų57.77%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-84.5111.4-173-177.10000111.7V85 A87 Y92 F124 D125 Q129V85-V127 HydrophobicContact CB-CB 4.5Å; V85-V127 HydrophobicContact CB-CG2 3.95Å; V85-V127 HydrophobicContact CG1-CG2 3.86Å; V85-V127 CarbonylContact O-C 3.6Å; V85-V127 WeakPolarHBondContact O-CA 3.48Å; A87-V127 HydrophobicContact CB-CG1 3.72Å; Y92-V127 HydrophobicContact CD2-CB 3.69Å; Y92-V127 HydrophobicContact CD2-CG1 3.76Å; Y92-V127 HydrophobicContact CD2-CG2 4.23Å; Y92-V127 HydrophobicContact CE2-CB 4.24Å; Y92-V127 HydrophobicContact CG-CG1 4.26Å; F124-V127 HydrophobicContact CD1-CG2 4.27Å; F124-V127 VanDerWaalsContact O-CB 3.27Å; F124-V127 WeakPolarHBondContact O-CB 3.44Å; F124-V127 WeakPolarHBondContact O-CG2 3.48Å; F124-V127 PolarHBondContact O-N 3.24Å; D125-V127 PolarHBondContact O-N 3.23Å; V127-Q129 PolarHBondContact O-N 2.68Å
128H98.1Very high96.9Very high102 Ų10256.7 Ų56.747%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-78.5111.8164.7-63.9-76.7000110.3P84 V85 Y86 A87 H126P84-H128 VanDerWaalsContact CB-CD2 3.41Å; P84-H128 WeakPolarHBondContact CB-CD2 3.4Å; V85-H128 PolarHBondContact O-N 3.44Å; Y86-H128 HydrophobicContact CD1-CB 3.86Å; Y86-H128 HydrophobicContact CE1-CB 3.96Å; A87-H128 PolarHBondContact N-O 3.08Å; H126-H128 PolarHBondContact O-N 3.38Å
129Q98.2Very high96.6Very high88 Ų8858.3 Ų58.341%0.41129%0.293SS..EExtended strand (participates in β ladder)trans-74.3130.3178.8-64.2171.957.100111.4A87 T89 Y92 V127A87-Q129 CarbonylContact O-C 3.58Å; A87-Q129 VanDerWaalsContact O-CA 3.32Å; A87-Q129 WeakPolarHBondContact O-CA 3.36Å; T89-Q129 PolarHBondContact OG1-OE1 3.34Å; Y92-Q129 HydrophobicContact CD1-CG 3.79Å; Y92-Q129 HydrophobicContact CD2-CG 4.49Å; Y92-Q129 HydrophobicContact CE1-CG 4.46Å; Y92-Q129 VanDerWaalsContact CE1-NE2 3.31Å; Y92-Q129 HydrophobicContact CG-CG 3.83Å; V127-Q129 PolarHBondContact O-N 2.68Å
130V98Very high96.4Very high3 Ų360 Ų602%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-124.9154.4-177.4-51.90000111.5Y86 A87 T88 I136 P149 W161 W286Y86-V130 HydrophobicContact CD1-CG1 4.04Å; A87-V130 WeakPolarHBondContact O-CG2 3.47Å; A87-V130 PolarHBondContact O-N 3.2Å; T88-V130 VanDerWaalsContact CA-O 3.29Å; T88-V130 WeakPolarHBondContact CA-O 3.5Å; T88-V130 HydrophobicContact CG2-CG2 4.24Å; V130-I136 HydrophobicContact CB-CD1 3.75Å; V130-I136 HydrophobicContact CG1-CD1 3.1Å; V130-P149 HydrophobicContact CB-CG 4.35Å; V130-P149 HydrophobicContact CG2-CB 4.15Å; V130-P149 HydrophobicContact CG2-CG 3.67Å; V130-W161 HydrophobicContact CG2-CH2 3.78Å; V130-W161 HydrophobicContact CG2-CZ3 4.46Å; V130-W286 WeakPolarHBondContact O-CH2 3.15Å
131K97.8Very high96Very high111 Ų11165.4 Ų65.448%0.48334%0.338SS..  trans-101.1152.7174.4-64.2-166.5179.4-160.70111.7Q133 Q134 P149 W286K131-Q133 PolarHBondContact O-N 2.99Å; K131-Q134 HydrophobicContact CB-CB 4.37Å; K131-Q134 WeakPolarHBondContact O-CB 3.47Å; K131-Q134 PolarHBondContact O-N 2.83Å; K131-P149 WeakPolarHBondContact O-CG 3.44Å; K131-W286 HydrophobicContact CG-CZ2 4.26Å
132Y97Very high95.5Very high53 Ų5362.9 Ų62.921%0.20833%0.325CS..THydrogen-bonded Turntrans-52.6141.9172.4-68-47.9000111.6T88 Q134 P151 G157 G158 T159 W286T88-Y132 HydrophobicContact CG2-CD1 4.29Å; T88-Y132 HydrophobicContact CG2-CE1 4.09Å; Y132-Q134 PolarHBondContact O-N 2.75Å; Y132-P151 HydrophobicContact CD1-CB 4.38Å; Y132-P151 HydrophobicContact CD2-CB 4.38Å; Y132-P151 VanDerWaalsContact CE1-CA 3.5Å; Y132-P151 HydrophobicContact CE1-CB 4.03Å; Y132-P151 HydrophobicContact CE2-CB 4.02Å; Y132-G157 WeakPolarHBondContact OH-CA 3.29Å; Y132-G157 PolarHBondContact OH-O 2.83Å; Y132-G158 PolarHBondContact OH-N 3.22Å; Y132-G158 PolarHBondContact OH-O 2.84Å; Y132-T159 HydrophobicContact CD1-CG2 4.04Å; Y132-T159 HydrophobicContact CE1-CG2 3.55Å; Y132-W286 HydrophobicContact CD1-CZ3 4.18Å; Y132-W286 AromaticContact CD2-CE3 3.66Å; Y132-W286 HydrophobicContact CD2-CE3 3.66Å; Y132-W286 AromaticContact CD2-CZ3 3.56Å; Y132-W286 HydrophobicContact CD2-CZ3 3.56Å; Y132-W286 HydrophobicContact CE1-CZ3 4.14Å; Y132-W286 AromaticContact CE2-CE3 3.34Å; Y132-W286 HydrophobicContact CE2-CE3 3.34Å; Y132-W286 AromaticContact CE2-CZ3 3.54Å; Y132-W286 HydrophobicContact CE2-CZ3 3.54Å; Y132-W286 HydrophobicContact CG-CE3 4.45Å; Y132-W286 AromaticContact CG-CZ3 3.9Å; Y132-W286 HydrophobicContact CG-CZ3 3.9Å; Y132-W286 AromaticContact CZ-CE3 3.9Å; Y132-W286 AromaticContact CZ-CZ3 3.84Å
133Q95.7Very high95.2Very high103 Ų10366.3 Ų66.348%0.48134%0.338SS..THydrogen-bonded Turntrans613.1-175.6-75.266.26100115.5K131 T135 P149 L150K131-Q133 PolarHBondContact O-N 2.99Å; Q133-T135 PolarHBondContact O-N 2.92Å; Q133-P149 PolarHBondContact N-O 3.44Å; Q133-L150 HydrophobicContact CG-CD2 4.36Å
134Q96.2Very high94.9Very high84 Ų8468.1 Ų68.139%0.39336%0.356SS..  trans-72.1114.9172.5-173.4-177.6-9.600109.8K131 Y132 I136 P149K131-Q134 HydrophobicContact CB-CB 4.37Å; K131-Q134 WeakPolarHBondContact O-CB 3.47Å; K131-Q134 PolarHBondContact O-N 2.83Å; Y132-Q134 PolarHBondContact O-N 2.75Å; Q134-I136 HydrophobicContact CG-CG1 4.2Å; Q134-P149 WeakPolarHBondContact O-CD 3.43Å
135T96.6Very high94.8Very high88 Ų8868.1 Ų68.154%0.5436%0.357SS..  trans-86.9127.2175.5-56.40000109.9Q133 C146 I147 T148Q133-T135 PolarHBondContact O-N 2.92Å; T135-C146 HydrophobicContact CG2-CB 3.81Å; T135-I147 WeakPolarHBondContact CA-O 3.21Å; T135-T148 PolarHBondContact OG1-OG1 3.38Å
136I97.7Very high94.8Very high26 Ų2663.7 Ų63.713%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-120.7120.4-176.7-61.4156.8000108.3Y86 V130 Q134 C146 I147Y86-I136 HydrophobicContact CD1-CD1 4.37Å; Y86-I136 HydrophobicContact CE1-CG2 4.09Å; V130-I136 HydrophobicContact CB-CD1 3.75Å; V130-I136 HydrophobicContact CG1-CD1 3.1Å; Q134-I136 HydrophobicContact CG-CG1 4.2Å; I136-C146 CarbonylContact O-C 3.34Å; I136-C146 VanDerWaalsContact O-CA 3.26Å; I136-C146 WeakPolarHBondContact O-CA 3.04Å; I136-I147 HydrophobicContact CB-CD1 4.47Å; I136-I147 HydrophobicContact CB-CG1 3.86Å; I136-I147 HydrophobicContact CD1-CG1 4.48Å; I136-I147 HydrophobicContact CG2-CG1 4.42Å; I136-I147 PolarHBondContact N-O 3Å; I136-I147 PolarHBondContact O-N 3.1Å
137S96.2Very high94.9Very high70 Ų7061.7 Ų61.749%0.4933%0.325SS..EExtended strand (participates in β ladder)trans-78.7127.1171.2-610000109.9H139 C146S137-H139 PolarHBondContact O-CE1 3.32Å; S137-C146 PolarHBondContact OG-SG 2.76Å; S137-C146 VanDerWaalsContact OG-SG 3.38Å
138L94.7Very high94.9Very high6 Ų661.7 Ų61.73%0.03133%0.326CS..  trans-79.7152.5177.2-63.3174000110.8F29 Y86 L145 I147F29-L138 HydrophobicContact CE1-CD1 3.77Å; F29-L138 HydrophobicContact CE2-CD1 4.3Å; F29-L138 HydrophobicContact CZ-CD1 3.57Å; Y86-L138 HydrophobicContact CD2-CD2 4.46Å; Y86-L138 HydrophobicContact CE2-CD2 3.56Å; Y86-L138 WeakPolarHBondContact OH-CD2 3.33Å; L138-L145 WeakPolarHBondContact CB-O 3.49Å; L138-L145 HydrophobicContact CD1-CB 4.19Å; L138-L145 HydrophobicContact CD1-CD2 3.63Å; L138-L145 HydrophobicContact CD1-CG 3.86Å; L138-L145 PolarHBondContact N-O 2.63Å; L138-I147 HydrophobicContact CD1-CG2 3.8Å; L138-I147 HydrophobicContact CD2-CD1 4.06Å; L138-I147 HydrophobicContact CD2-CG1 4.39Å; L138-I147 HydrophobicContact CG-CG2 4.31Å
139H89.4Confident94.9Very high152 Ų15256.9 Ų56.970%0.70430%0.303SS*.  trans-107172.2-175.8-55.888.9000111S137 R141 G142S137-H139 PolarHBondContact O-CE1 3.32Å; H139-R141 PolarHBondContact O-N 3.15Å; H139-G142 PolarHBondContact O-N 3.09Å
140G90.4Very high94.8Very high66 Ų6652.8 Ų52.868%0.6828%0.284SS*.G310 helixtrans63.9-130.8177.600000112.5G142 H143G140-G142 PolarHBondContact O-N 3.43Å; G140-G142 VanDerWaalsContact O-N 3.13Å; G140-H143 WeakPolarHBondContact O-CB 3.48Å; G140-H143 PolarHBondContact O-N 2.79Å; G140-H143 VanDerWaalsContact O-N 3.1Å
141R89.2Confident94.8Very high112 Ų11253.7 Ų53.742%0.42329%0.29SS..G310 helixtrans-59.1-21.8176.8-66.5-170.4-74.1176.7-3.4113.2F29 H55 D57 H139 H143F29-R141 HydrophobicContact CD2-CB 4.38Å; H55-R141 PolarHBondContact O-NH2 3.21Å; D57-R141 IonicContact OD1-CZ 2.76Å; D57-R141 IonicContact OD1-NE 2.72Å; D57-R141 PolarHBondContact OD1-NE 2.65Å; D57-R141 IonicContact OD1-NH2 2.63Å; D57-R141 PolarHBondContact OD1-NH2 3.06Å; D57-R141 IonicContact OD2-CZ 2.72Å; D57-R141 VanDerWaalsContact OD2-CZ 3.23Å; D57-R141 IonicContact OD2-NE 3.37Å; D57-R141 PolarHBondContact OD2-NE 3.5Å; D57-R141 IonicContact OD2-NH1 3.64Å; D57-R141 IonicContact OD2-NH2 2.84Å; D57-R141 PolarHBondContact OD2-NH2 3.38Å; D57-R141 VanDerWaalsContact OD2-NH2 3.08Å; H139-R141 PolarHBondContact O-N 3.15Å; R141-H143 VanDerWaalsContact C-N 3.3Å; R141-H143 PolarHBondContact O-N 3.15Å
142G88Confident94.8Very high1 Ų148.4 Ų48.41%0.0127%0.267CS..G310 helixtrans-84.59.8177.400000114.7F29 H139 G140 G144 L145F29-G142 VanDerWaalsContact CD2-N 3.35Å; H139-G142 PolarHBondContact O-N 3.09Å; G140-G142 PolarHBondContact O-N 3.43Å; G140-G142 VanDerWaalsContact O-N 3.13Å; G142-G144 PolarHBondContact O-N 2.88Å; G142-L145 WeakPolarHBondContact O-CB 3.21Å; G142-L145 PolarHBondContact O-N 2.95Å
143H90.1Very high94.7Very high149 Ų14946.1 Ų46.169%0.6926%0.26SS*.THydrogen-bonded Turntrans-55.6128.6-176.2-171.868.8000112.2G140 R141 L145 K165G140-H143 WeakPolarHBondContact O-CB 3.48Å; G140-H143 PolarHBondContact O-N 2.79Å; G140-H143 VanDerWaalsContact O-N 3.1Å; R141-H143 VanDerWaalsContact C-N 3.3Å; R141-H143 PolarHBondContact O-N 3.15Å; H143-L145 VanDerWaalsContact C-N 3.29Å; H143-L145 PolarHBondContact O-N 2.84Å; H143-K165 PolarHBondContact O-NZ 3.21Å
144G90.4Very high94.7Very high37 Ų3741.4 Ų41.438%0.38124%0.238SC..THydrogen-bonded Turntrans82.9-5-175.500000115G142G142-G144 PolarHBondContact O-N 2.88Å
145L95.6Very high94.7Very high2 Ų237.6 Ų37.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-87.4128.1167.9-173.465000109V26 F29 L138 G142 H143 L163 V164 K165V26-L145 HydrophobicContact CB-CD2 4.44Å; V26-L145 HydrophobicContact CG1-CD1 4.34Å; F29-L145 HydrophobicContact CD1-CD2 3.54Å; F29-L145 HydrophobicContact CE1-CD2 3.78Å; F29-L145 HydrophobicContact CG-CD2 4.23Å; L138-L145 WeakPolarHBondContact CB-O 3.49Å; L138-L145 HydrophobicContact CD1-CB 4.19Å; L138-L145 HydrophobicContact CD1-CD2 3.63Å; L138-L145 HydrophobicContact CD1-CG 3.86Å; L138-L145 PolarHBondContact N-O 2.63Å; G142-L145 WeakPolarHBondContact O-CB 3.21Å; G142-L145 PolarHBondContact O-N 2.95Å; H143-L145 VanDerWaalsContact C-N 3.29Å; H143-L145 PolarHBondContact O-N 2.84Å; L145-L163 HydrophobicContact CD1-CB 4.25Å; L145-V164 WeakPolarHBondContact CA-O 3.45Å; L145-K165 HydrophobicContact CB-CD 4.32Å; L145-K165 HydrophobicContact CD1-CB 3.82Å
146C97.1Very high94.7Very high30 Ų3033.4 Ų33.420%0.20319%0.194CC..EExtended strand (participates in β ladder)trans-116.4137.7176.5-69.10000110.1T135 I136 S137 L163 V164T135-C146 HydrophobicContact CG2-CB 3.81Å; I136-C146 CarbonylContact O-C 3.34Å; I136-C146 VanDerWaalsContact O-CA 3.26Å; I136-C146 WeakPolarHBondContact O-CA 3.04Å; S137-C146 PolarHBondContact OG-SG 2.76Å; S137-C146 VanDerWaalsContact OG-SG 3.38Å; C146-L163 CarbonylContact O-C 3.58Å; C146-L163 WeakPolarHBondContact O-CA 3.19Å; C146-V164 PolarHBondContact N-O 2.88Å; C146-V164 PolarHBondContact O-N 3.26Å
147I97.9Very high94.7Very high0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-111.6143.1174.162.9174.2000110.4L60 Y86 T135 I136 L138 W161 K162 L163L60-I147 HydrophobicContact CD1-CG2 4.33Å; L60-I147 HydrophobicContact CD2-CD1 3.69Å; Y86-I147 HydrophobicContact CD1-CD1 3.85Å; Y86-I147 HydrophobicContact CD2-CD1 3.7Å; Y86-I147 HydrophobicContact CE1-CD1 4.26Å; Y86-I147 HydrophobicContact CE2-CD1 4.12Å; Y86-I147 HydrophobicContact CG-CD1 3.55Å; T135-I147 WeakPolarHBondContact CA-O 3.21Å; I136-I147 HydrophobicContact CB-CD1 4.47Å; I136-I147 HydrophobicContact CB-CG1 3.86Å; I136-I147 HydrophobicContact CD1-CG1 4.48Å; I136-I147 HydrophobicContact CG2-CG1 4.42Å; I136-I147 PolarHBondContact N-O 3Å; I136-I147 PolarHBondContact O-N 3.1Å; L138-I147 HydrophobicContact CD1-CG2 3.8Å; L138-I147 HydrophobicContact CD2-CD1 4.06Å; L138-I147 HydrophobicContact CD2-CG1 4.39Å; L138-I147 HydrophobicContact CG-CG2 4.31Å; I147-W161 HydrophobicContact CB-CE3 4.34Å; I147-W161 HydrophobicContact CB-CZ3 4.31Å; I147-W161 HydrophobicContact CD1-CZ3 3.99Å; I147-W161 HydrophobicContact CG1-CZ3 4.32Å; I147-K162 CarbonylContact C-O 3.55Å; I147-K162 WeakPolarHBondContact CA-O 3.49Å; I147-L163 HydrophobicContact CG2-CD2 4.14Å; I147-L163 HydrophobicContact CG2-CG 4.09Å
148T98Very high94.8Very high13 Ų1328.8 Ų28.88%0.0817%0.165CC..EExtended strand (participates in β ladder)trans-139.1119177.2-49.30000109.9T135 L150 K162T135-T148 PolarHBondContact OG1-OG1 3.38Å; T148-L150 HydrophobicContact CG2-CD2 4.05Å; T148-K162 PolarHBondContact N-O 3.04Å; T148-K162 PolarHBondContact O-N 3.04Å
149P98.1Very high94.9Very high0 Ų028.5 Ų28.50%016%0.163CC..EExtended strand (participates in β ladder)trans-78.813417332.9-35000110.7T88 V130 K131 Q133 Q134 T159 W161T88-P149 HydrophobicContact CG2-CB 4.23Å; V130-P149 HydrophobicContact CB-CG 4.35Å; V130-P149 HydrophobicContact CG2-CB 4.15Å; V130-P149 HydrophobicContact CG2-CG 3.67Å; K131-P149 WeakPolarHBondContact O-CG 3.44Å; Q133-P149 PolarHBondContact N-O 3.44Å; Q134-P149 WeakPolarHBondContact O-CD 3.43Å; P149-T159 HydrophobicContact CB-CG2 3.43Å; P149-T159 VanDerWaalsContact CB-CG2 3.43Å; P149-W161 HydrophobicContact CB-CE3 4.2Å; P149-W161 HydrophobicContact CB-CH2 4.07Å; P149-W161 HydrophobicContact CB-CZ3 3.87Å; P149-W161 HydrophobicContact CG-CZ3 4.28Å
150L97.6Very high95.4Very high2 Ų221.3 Ų21.31%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-121.8149.8175.7-50.1177000109.8Q133 T148 S152 T159 I160 K162 A191 C192Q133-L150 HydrophobicContact CG-CD2 4.36Å; T148-L150 HydrophobicContact CG2-CD2 4.05Å; L150-S152 PolarHBondContact O-N 3.48Å; L150-T159 CarbonylContact O-C 3.6Å; L150-T159 VanDerWaalsContact O-CA 3.25Å; L150-T159 WeakPolarHBondContact O-CA 3.47Å; L150-I160 HydrophobicContact CB-CB 4.28Å; L150-I160 PolarHBondContact N-O 2.95Å; L150-I160 PolarHBondContact O-N 2.97Å; L150-K162 HydrophobicContact CD1-CB 4.31Å; L150-A191 HydrophobicContact CD1-CB 4.19Å; L150-A191 HydrophobicContact CD2-CB 4.08Å; L150-C192 WeakPolarHBondContact CD1-SG 3.19Å
151P97.5Very high95.7Very high22 Ų2218.1 Ų18.114%0.14310%0.097CC..EExtended strand (participates in β ladder)trans-66.8126.9-178.827.2-34.4000112Y132 A187 T188Y132-P151 HydrophobicContact CD1-CB 4.38Å; Y132-P151 HydrophobicContact CD2-CB 4.38Å; Y132-P151 VanDerWaalsContact CE1-CA 3.5Å; Y132-P151 HydrophobicContact CE1-CB 4.03Å; Y132-P151 HydrophobicContact CE2-CB 4.02Å; P151-A187 WeakPolarHBondContact O-CA 3.45Å; P151-T188 PolarHBondContact O-N 3.32Å; P151-T188 VanDerWaalsContact O-N 3.16Å
152S97.1Very high96.2Very high0 Ų015.1 Ų15.10%09%0.087CC..  trans-85.5-23.6175.1660000113.8H63 L150 H154 G158 F176 N177 A187H63-S152 PolarHBondContact CE1-OG 3.31Å; H63-S152 VanDerWaalsContact CE1-OG 3.24Å; L150-S152 PolarHBondContact O-N 3.48Å; S152-H154 PolarHBondContact O-N 3.07Å; S152-H154 PolarHBondContact OG-N 2.83Å; S152-G158 WeakPolarHBondContact CB-O 3.49Å; S152-G158 PolarHBondContact N-O 3.08Å; S152-G158 WeakPolarHBondContact OG-CA 3.35Å; S152-G158 PolarHBondContact OG-O 2.94Å; S152-F176 CarbonylContact O-C 3.59Å; S152-F176 VanDerWaalsContact O-CA 3.32Å; S152-F176 WeakPolarHBondContact O-CA 2.89Å; S152-F176 WeakPolarHBondContact O-CB 3.43Å; S152-N177 PolarHBondContact O-N 2.82Å; S152-A187 VanDerWaalsContact O-CB 3.24Å; S152-A187 WeakPolarHBondContact O-CB 3.33Å
153G95.9Very high96.6Very high5 Ų515.1 Ų15.15%0.0529%0.087CC..SBendtrans721.6-176.800000116.5N177 N185G153-N177 WeakPolarHBondContact O-CB 3.44Å; G153-N185 VanDerWaalsContact CA-O 3.24Å; G153-N185 WeakPolarHBondContact CA-O 3.49Å
154H95.7Very high96.9Very high5 Ų59.8 Ų9.82%0.0237%0.065CC..SBendtrans-87.7-47.9-178168.461.2000113.4H63 S152 D175 R242 E695 G696H63-H154 AromaticContact CE1-CD2 3.64Å; H63-H154 AromaticContact ND1-CD2 3.57Å; S152-H154 PolarHBondContact O-N 3.07Å; S152-H154 PolarHBondContact OG-N 2.83Å; H154-D175 WeakPolarHBondContact CB-O 3.22Å; H154-D175 VanDerWaalsContact CG-O 3.29Å; H154-R242 WeakPolarHBondContact O-CD 3.49Å; H154-R242 PolarHBondContact O-NH1 3.29Å; H154-E695 PolarHBondContact CE1-O 2.89Å; H154-E695 PolarHBondContact ND1-O 2.74Å; H154-G696 PolarHBondContact ND1-O 3.46Å
155T96.2Very high96.9Very high3 Ų39.5 Ų9.52%0.0185%0.053CC..SBendtrans-129.4159.9176.757.40000110.7H63 Q64 G157 G158 L184H63-T155 PolarHBondContact ND1-OG1 3.27Å; Q64-T155 PolarHBondContact OE1-OG1 3.13Å; T155-G157 PolarHBondContact O-N 2.96Å; T155-G157 VanDerWaalsContact O-N 3.16Å; T155-G158 PolarHBondContact O-N 2.87Å; T155-L184 VanDerWaalsContact C-CD1 3.48Å
156L96.6Very high96.5Very high0 Ų015 Ų150%08%0.079CC..THydrogen-bonded Turntrans-59.7120.4174.5-174.267.4000109.5Q64 P90 M94 G158 L184 L244 M283 W286 M287Q64-L156 PolarHBondContact NE2-O 3.12Å; Q64-L156 PolarHBondContact OE1-O 3.02Å; P90-L156 HydrophobicContact CB-CD2 4.39Å; P90-L156 HydrophobicContact CB-CG 4Å; P90-L156 WeakPolarHBondContact CB-O 3.47Å; P90-L156 HydrophobicContact CG-CG 4.35Å; M94-L156 HydrophobicContact CE-CD2 4.14Å; L156-G158 PolarHBondContact O-N 2.84Å; L156-L184 HydrophobicContact CB-CD2 4.3Å; L156-L184 HydrophobicContact CD1-CD2 3.76Å; L156-L244 HydrophobicContact CD2-CD1 4.36Å; L156-M283 HydrophobicContact CD2-CB 4.3Å; L156-M283 HydrophobicContact CD2-SD 4.39Å; L156-W286 HydrophobicContact CD1-CB 3.76Å; L156-W286 HydrophobicContact CG-CB 4.47Å; L156-M287 HydrophobicContact CD1-CE 4.12Å; L156-M287 HydrophobicContact CD1-CG 3.68Å; L156-M287 HydrophobicContact CD2-CE 3.9Å
157G96.9Very high96Very high0 Ų019.5 Ų19.50%010%0.101CC..THydrogen-bonded Turntrans79.3-7.1-174.800000115.3T88 Y132 T155T88-G157 WeakPolarHBondContact CG2-O 3.47Å; T88-G157 PolarHBondContact OG1-O 3.32Å; Y132-G157 WeakPolarHBondContact OH-CA 3.29Å; Y132-G157 PolarHBondContact OH-O 2.83Å; T155-G157 PolarHBondContact O-N 2.96Å; T155-G157 VanDerWaalsContact O-N 3.16Å
158G97.7Very high95.7Very high0 Ų020.9 Ų20.90%011%0.109CC..  trans-57142.4-177.500000112.6S62 Y132 S152 T155 L156S62-G158 CarbonylContact O-C 3.57Å; S62-G158 WeakPolarHBondContact O-CA 3.17Å; Y132-G158 PolarHBondContact OH-N 3.22Å; Y132-G158 PolarHBondContact OH-O 2.84Å; S152-G158 WeakPolarHBondContact CB-O 3.49Å; S152-G158 PolarHBondContact N-O 3.08Å; S152-G158 WeakPolarHBondContact OG-CA 3.35Å; S152-G158 PolarHBondContact OG-O 2.94Å; T155-G158 PolarHBondContact O-N 2.87Å; L156-G158 PolarHBondContact O-N 2.84Å
159T98.1Very high95.5Very high0 Ų021.2 Ų21.20%011%0.112CC..EExtended strand (participates in β ladder)trans-129.1135.3-165.428.80000115.3L61 S62 T88 Y132 P149 L150L61-T159 PolarHBondContact O-OG1 2.72Å; S62-T159 PolarHBondContact O-N 3.11Å; S62-T159 PolarHBondContact O-OG1 3.04Å; T88-T159 HydrophobicContact CG2-CG2 3.32Å; Y132-T159 HydrophobicContact CD1-CG2 4.04Å; Y132-T159 HydrophobicContact CE1-CG2 3.55Å; P149-T159 HydrophobicContact CB-CG2 3.43Å; P149-T159 VanDerWaalsContact CB-CG2 3.43Å; L150-T159 CarbonylContact O-C 3.6Å; L150-T159 VanDerWaalsContact O-CA 3.25Å; L150-T159 WeakPolarHBondContact O-CA 3.47Å
160I98.3Very high95.5Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-88.1128.8154.5-66159.3000107L150 V171 Y172 A173 F176 A187 F189L150-I160 HydrophobicContact CB-CB 4.28Å; L150-I160 PolarHBondContact N-O 2.95Å; L150-I160 PolarHBondContact O-N 2.97Å; I160-V171 HydrophobicContact CG2-CG1 3.8Å; I160-Y172 WeakPolarHBondContact CA-O 3.39Å; I160-Y172 WeakPolarHBondContact CG2-O 3.45Å; I160-A173 HydrophobicContact CD1-CB 4.48Å; I160-A173 HydrophobicContact CG1-CB 4.01Å; I160-A173 HydrophobicContact CG2-CB 3.83Å; I160-F176 HydrophobicContact CD1-CB 4.03Å; I160-F176 HydrophobicContact CG1-CB 4.38Å; I160-A187 HydrophobicContact CD1-CB 4.28Å; I160-F189 HydrophobicContact CD1-CD1 4.32Å; I160-F189 HydrophobicContact CD1-CE1 3.62Å; I160-F189 HydrophobicContact CD1-CE2 4.11Å; I160-F189 HydrophobicContact CD1-CZ 3.49Å; I160-F189 VanDerWaalsContact CD1-CZ 3.49Å
161W98.4Very high95.5Very high0 Ų021.3 Ų21.30%011%0.113CC..EExtended strand (participates in β ladder)trans-95.8127.2179.1-73.5101.8000110.9L60 L61 Y86 V130 I147 P149 L163 V171 Y172L60-W161 HydrophobicContact CB-CD2 4.19Å; L60-W161 HydrophobicContact CB-CG 4.27Å; L60-W161 HydrophobicContact CB-CZ2 4.44Å; L60-W161 HydrophobicContact CD1-CB 4.25Å; L60-W161 HydrophobicContact CD1-CD2 4.07Å; L60-W161 HydrophobicContact CD1-CE3 4.25Å; L60-W161 HydrophobicContact CD1-CG 4.08Å; L60-W161 HydrophobicContact CD2-CD2 4.42Å; L60-W161 HydrophobicContact CD2-CE3 4.32Å; L60-W161 HydrophobicContact CD2-CH2 4.29Å; L60-W161 HydrophobicContact CD2-CZ2 4.42Å; L60-W161 HydrophobicContact CD2-CZ3 4.25Å; L60-W161 HydrophobicContact CG-CD2 4.46Å; L61-W161 PolarHBondContact O-NE1 2.95Å; Y86-W161 WeakPolarHBondContact O-CZ2 3.41Å; V130-W161 HydrophobicContact CG2-CH2 3.78Å; V130-W161 HydrophobicContact CG2-CZ3 4.46Å; I147-W161 HydrophobicContact CB-CE3 4.34Å; I147-W161 HydrophobicContact CB-CZ3 4.31Å; I147-W161 HydrophobicContact CD1-CZ3 3.99Å; I147-W161 HydrophobicContact CG1-CZ3 4.32Å; P149-W161 HydrophobicContact CB-CE3 4.2Å; P149-W161 HydrophobicContact CB-CH2 4.07Å; P149-W161 HydrophobicContact CB-CZ3 3.87Å; P149-W161 HydrophobicContact CG-CZ3 4.28Å; W161-L163 HydrophobicContact CB-CD1 4.34Å; W161-V171 WeakPolarHBondContact O-CA 3.31Å; W161-Y172 HydrophobicContact CB-CD1 4.39Å; W161-Y172 PolarHBondContact N-O 2.86Å; W161-Y172 PolarHBondContact O-N 3.43Å
162K97.9Very high95.5Very high48 Ų4820.3 Ų20.321%0.20911%0.106CC..EExtended strand (participates in β ladder)trans-105.8122.2168.5179.5-176.3175.7-176.30108.7I147 T148 L150 V164 A191I147-K162 CarbonylContact C-O 3.55Å; I147-K162 WeakPolarHBondContact CA-O 3.49Å; T148-K162 PolarHBondContact N-O 3.04Å; T148-K162 PolarHBondContact O-N 3.04Å; L150-K162 HydrophobicContact CD1-CB 4.31Å; K162-V164 HydrophobicContact CD-CG2 4.31Å; K162-V164 HydrophobicContact CG-CG2 4.11Å; K162-A191 WeakPolarHBondContact CE-O 3.46Å; K162-A191 PolarHBondContact NZ-O 3.08Å
163L97.5Very high95.5Very high1 Ų120.3 Ų20.31%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-109.4136173.4-5488.1000108.9L24 L60 L145 C146 I147 W161 S169 I170L24-L163 HydrophobicContact CD2-CD1 4.42Å; L24-L163 HydrophobicContact CD2-CD2 3.93Å; L60-L163 HydrophobicContact CD1-CD1 4.36Å; L60-L163 HydrophobicContact CD1-CD2 4.03Å; L60-L163 HydrophobicContact CD1-CG 4.31Å; L145-L163 HydrophobicContact CD1-CB 4.25Å; C146-L163 CarbonylContact O-C 3.58Å; C146-L163 WeakPolarHBondContact O-CA 3.19Å; I147-L163 HydrophobicContact CG2-CD2 4.14Å; I147-L163 HydrophobicContact CG2-CG 4.09Å; W161-L163 HydrophobicContact CB-CD1 4.34Å; L163-S169 WeakPolarHBondContact O-CA 3.35Å; L163-I170 HydrophobicContact CB-CB 4.28Å; L163-I170 HydrophobicContact CD1-CG2 4.48Å; L163-I170 PolarHBondContact N-O 2.93Å; L163-I170 PolarHBondContact O-N 2.72Å
164V95.4Very high95.5Very high38 Ų3820.1 Ų20.123%0.2310%0.104CC..EExtended strand (participates in β ladder)trans-131.9122-179.8-177.10000109.5L145 C146 K162 E166 T168L145-V164 WeakPolarHBondContact CA-O 3.45Å; C146-V164 PolarHBondContact N-O 2.88Å; C146-V164 PolarHBondContact O-N 3.26Å; K162-V164 HydrophobicContact CD-CG2 4.31Å; K162-V164 HydrophobicContact CG-CG2 4.11Å; V164-E166 WeakPolarHBondContact CG1-O 3.43Å; V164-T168 CarbonylContact C-O 3.55Å; V164-T168 WeakPolarHBondContact CA-O 3.31Å
165K92.3Very high95.4Very high30 Ų3020.3 Ų20.313%0.1311%0.105CC..EExtended strand (participates in β ladder)trans-121.7108171.7179.569178.1-155.50107.6S4 V26 D27 H143 L145 D167 T168S4-K165 WeakPolarHBondContact OG-CG 3.36Å; V26-K165 HydrophobicContact CG1-CB 4.27Å; V26-K165 HydrophobicContact CG1-CG 4.3Å; D27-K165 WeakPolarHBondContact OD2-CE 3.47Å; D27-K165 IonicContact OD2-NZ 2.82Å; H143-K165 PolarHBondContact O-NZ 3.21Å; L145-K165 HydrophobicContact CB-CD 4.32Å; L145-K165 HydrophobicContact CD1-CB 3.82Å; K165-D167 PolarHBondContact O-N 3.14Å; K165-D167 VanDerWaalsContact O-N 3.11Å; K165-T168 PolarHBondContact N-O 3.03Å; K165-T168 WeakPolarHBondContact O-CA 3.29Å; K165-T168 WeakPolarHBondContact O-CB 3.42Å; K165-T168 PolarHBondContact O-N 2.79Å
166E86.7Confident95.4Very high118 Ų11820.6 Ų20.655%0.55111%0.106SC*.THydrogen-bonded Turntrans53.9-115.7-173.4-54.2-178.5178.800110.7V164V164-E166 WeakPolarHBondContact CG1-O 3.43Å
167D85.4Confident95.3Very high125 Ų12520.6 Ų20.667%0.66811%0.106SC*.THydrogen-bonded Turntrans-90.9-9.9176.7-67.7-36000113.3K165 H196K165-D167 PolarHBondContact O-N 3.14Å; K165-D167 VanDerWaalsContact O-N 3.11Å; D167-H196 PolarHBondContact O-CE1 3.28Å; D167-H196 PolarHBondContact O-ND1 3.31Å
168T91.5Very high95.2Very high28 Ų2823.2 Ų23.217%0.17212%0.118CC..EExtended strand (participates in β ladder)trans-81.7126.4-178.7-59.10000110.6I6 V164 K165 I170 H196I6-T168 HydrophobicContact CD1-CG2 3.46Å; I6-T168 VanDerWaalsContact CD1-CG2 3.46Å; V164-T168 CarbonylContact C-O 3.55Å; V164-T168 WeakPolarHBondContact CA-O 3.31Å; K165-T168 PolarHBondContact N-O 3.03Å; K165-T168 WeakPolarHBondContact O-CA 3.29Å; K165-T168 WeakPolarHBondContact O-CB 3.42Å; K165-T168 PolarHBondContact O-N 2.79Å; T168-I170 HydrophobicContact CG2-CG1 4.42Å; T168-H196 HydrophobicContact CG2-CB 4.24Å
169S94.3Very high95.1Very high20 Ų2026.2 Ų26.214%0.1413%0.131CC..EExtended strand (participates in β ladder)trans-121.2121.8-179.855.60000111.4L163 P195 H196 L197L163-S169 WeakPolarHBondContact O-CA 3.35Å; S169-P195 WeakPolarHBondContact OG-CA 3.15Å; S169-H196 PolarHBondContact N-ND1 3.27Å; S169-H196 VanDerWaalsContact N-ND1 3.12Å; S169-H196 WeakPolarHBondContact O-CA 3.33Å; S169-H196 VanDerWaalsContact O-CB 3.31Å; S169-H196 WeakPolarHBondContact O-CB 3.37Å; S169-H196 PolarHBondContact O-N 3.04Å; S169-H196 PolarHBondContact OG-N 2.93Å; S169-H196 PolarHBondContact OG-ND1 3.37Å; S169-L197 PolarHBondContact O-N 3.41Å; S169-L197 VanDerWaalsContact O-N 3.13Å
170I97.3Very high94.9Very high4 Ų432.7 Ų32.72%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-113.6132178.3-53.4168.4000107.5I6 L24 V26 L163 T168 L197 I199I6-I170 HydrophobicContact CD1-CD1 4.26Å; I6-I170 HydrophobicContact CG1-CD1 4.48Å; I6-I170 HydrophobicContact CG2-CD1 3.92Å; L24-I170 HydrophobicContact CD1-CD1 4.41Å; L24-I170 HydrophobicContact CD2-CD1 4.2Å; L24-I170 HydrophobicContact CD2-CG2 4.17Å; V26-I170 HydrophobicContact CG2-CD1 3.83Å; L163-I170 HydrophobicContact CB-CB 4.28Å; L163-I170 HydrophobicContact CD1-CG2 4.48Å; L163-I170 PolarHBondContact N-O 2.93Å; L163-I170 PolarHBondContact O-N 2.72Å; T168-I170 HydrophobicContact CG2-CG1 4.42Å; I170-L197 CarbonylContact C-O 3.52Å; I170-L197 WeakPolarHBondContact CA-O 3.39Å; I170-L197 HydrophobicContact CG1-CB 4.27Å; I170-L197 HydrophobicContact CG2-CB 4.23Å; I170-L197 HydrophobicContact CG2-CD2 4.05Å; I170-L197 HydrophobicContact CG2-CG 4.26Å; I170-I199 HydrophobicContact CG2-CD1 4.37Å
171V98.3Very high94.7Very high1 Ų133.4 Ų33.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-120.5121.11781780000108.6I160 W161 A173 C192 P195 L197 L198 I199I160-V171 HydrophobicContact CG2-CG1 3.8Å; W161-V171 WeakPolarHBondContact O-CA 3.31Å; V171-A173 HydrophobicContact CG1-CB 4.27Å; V171-C192 HydrophobicContact CG1-CB 4.44Å; V171-C192 HydrophobicContact CG2-CB 3.91Å; V171-P195 HydrophobicContact CB-CB 4.33Å; V171-P195 HydrophobicContact CG2-CB 3.69Å; V171-P195 HydrophobicContact CG2-CG 4.38Å; V171-L197 PolarHBondContact N-O 2.96Å; V171-L198 HydrophobicContact CB-CD1 3.88Å; V171-L198 HydrophobicContact CG1-CD1 3.76Å; V171-L198 WeakPolarHBondContact O-CA 3.28Å; V171-I199 PolarHBondContact O-N 3.29Å
172Y98.4Very high94.4Very high0 Ų036 Ų360%017%0.172CC..EExtended strand (participates in β ladder)trans-105.6107.8173.8175.2-110.1000109Y22 L33 D34 I160 W161 L174 I199Y22-Y172 AromaticContact CD2-CE2 3.68Å; Y22-Y172 HydrophobicContact CD2-CE2 3.68Å; Y22-Y172 AromaticContact CE2-CE2 3.89Å; Y22-Y172 HydrophobicContact CE2-CE2 3.89Å; L33-Y172 HydrophobicContact CB-CD1 4.49Å; L33-Y172 HydrophobicContact CB-CD2 4.43Å; L33-Y172 HydrophobicContact CB-CE1 4.13Å; L33-Y172 HydrophobicContact CB-CE2 4.07Å; L33-Y172 HydrophobicContact CD1-CD2 3.74Å; L33-Y172 HydrophobicContact CD1-CE2 4.1Å; L33-Y172 HydrophobicContact CD1-CG 3.99Å; D34-Y172 VanDerWaalsContact OD2-CE1 3.27Å; D34-Y172 WeakPolarHBondContact OD2-CE1 3.39Å; D34-Y172 PolarHBondContact OD2-OH 2.8Å; I160-Y172 WeakPolarHBondContact CA-O 3.39Å; I160-Y172 WeakPolarHBondContact CG2-O 3.45Å; W161-Y172 HydrophobicContact CB-CD1 4.39Å; W161-Y172 PolarHBondContact N-O 2.86Å; W161-Y172 PolarHBondContact O-N 3.43Å; Y172-L174 HydrophobicContact CD2-CG 4.41Å; Y172-L174 HydrophobicContact CE1-CD1 4.38Å; Y172-L174 HydrophobicContact CE1-CG 4.16Å; Y172-L174 HydrophobicContact CE2-CD1 3.92Å; Y172-L174 HydrophobicContact CE2-CD2 3.93Å; Y172-L174 HydrophobicContact CE2-CG 3.63Å; Y172-L174 WeakPolarHBondContact OH-CD1 3.18Å; Y172-I199 HydrophobicContact CD2-CB 4.01Å; Y172-I199 HydrophobicContact CD2-CD1 4.41Å; Y172-I199 HydrophobicContact CD2-CG2 3.83Å; Y172-I199 HydrophobicContact CE2-CG2 4.21Å
173A97.4Very high94.2Very high0 Ų033.7 Ų33.70%016%0.162CC..EExtended strand (participates in β ladder)trans-129.781.9-171.900000110.8I160 V171 F176 F189 L198 I199 M200I160-A173 HydrophobicContact CD1-CB 4.48Å; I160-A173 HydrophobicContact CG1-CB 4.01Å; I160-A173 HydrophobicContact CG2-CB 3.83Å; V171-A173 HydrophobicContact CG1-CB 4.27Å; A173-F176 HydrophobicContact CB-CD1 4.26Å; A173-F189 HydrophobicContact CB-CE1 4.17Å; A173-L198 HydrophobicContact CB-CD1 4.34Å; A173-I199 PolarHBondContact N-O 3.21Å; A173-M200 WeakPolarHBondContact O-CA 3.38Å
174L94.7Very high94.2Very high2 Ų234 Ų341%0.0116%0.164CC..  trans-90.8161.5166.3-55.4-166.4000111P20 Y22 Y172 F176 D201 V718P20-L174 HydrophobicContact CB-CD1 3.64Å; P20-L174 HydrophobicContact CG-CD1 3.68Å; Y22-L174 HydrophobicContact CE2-CD1 4.09Å; Y172-L174 HydrophobicContact CD2-CG 4.41Å; Y172-L174 HydrophobicContact CE1-CD1 4.38Å; Y172-L174 HydrophobicContact CE1-CG 4.16Å; Y172-L174 HydrophobicContact CE2-CD1 3.92Å; Y172-L174 HydrophobicContact CE2-CD2 3.93Å; Y172-L174 HydrophobicContact CE2-CG 3.63Å; Y172-L174 WeakPolarHBondContact OH-CD1 3.18Å; L174-F176 VanDerWaalsContact C-N 3.33Å; L174-F176 PolarHBondContact O-N 2.87Å; L174-D201 HydrophobicContact CD2-CB 3.98Å; L174-V718 HydrophobicContact CD2-CG2 3.67Å
175D93.6Very high94.2Very high8 Ų834.6 Ų34.64%0.04317%0.166CC..SBendtrans40.255.3164.1-71.3-6.7000114.4H63 H68 H154 R697H63-D175 PolarHBondContact CE1-O 3.23Å; H63-D175 PolarHBondContact NE2-O 3.36Å; H68-D175 IonicContact CE1-OD2 2.85Å; H68-D175 PolarHBondContact CE1-OD2 3.11Å; H68-D175 IonicContact NE2-OD2 3.54Å; H68-D175 PolarHBondContact NE2-OD2 3.24Å; H154-D175 WeakPolarHBondContact CB-O 3.22Å; H154-D175 VanDerWaalsContact CG-O 3.29Å; D175-R697 VanDerWaalsContact CG-CZ 3.45Å; D175-R697 VanDerWaalsContact CG-NE 3.3Å; D175-R697 IonicContact OD1-CZ 3.77Å; D175-R697 IonicContact OD1-NE 2.72Å; D175-R697 PolarHBondContact OD1-NE 3.18Å; D175-R697 IonicContact OD1-NH1 2.92Å; D175-R697 IonicContact OD1-NH2 3.88Å; D175-R697 PolarHBondContact OD1-NH2 3.02Å; D175-R697 VanDerWaalsContact OD1-NH2 3.13Å; D175-R697 IonicContact OD2-CZ 3.91Å; D175-R697 IonicContact OD2-NE 2.78Å; D175-R697 PolarHBondContact OD2-NE 2.89Å; D175-R697 IonicContact OD2-NH2 2.94Å; D175-R697 PolarHBondContact OD2-NH2 3.44Å
176F96.2Very high94.3Very high9 Ų933.6 Ų33.64%0.03917%0.165CC..  trans-106.3148.2179.863.9-90000112S152 I160 A173 L174 A187 F189 M200 S698 M703 I706S152-F176 CarbonylContact O-C 3.59Å; S152-F176 VanDerWaalsContact O-CA 3.32Å; S152-F176 WeakPolarHBondContact O-CA 2.89Å; S152-F176 WeakPolarHBondContact O-CB 3.43Å; I160-F176 HydrophobicContact CD1-CB 4.03Å; I160-F176 HydrophobicContact CG1-CB 4.38Å; A173-F176 HydrophobicContact CB-CD1 4.26Å; L174-F176 VanDerWaalsContact C-N 3.33Å; L174-F176 PolarHBondContact O-N 2.87Å; F176-A187 HydrophobicContact CB-CB 4.11Å; F176-A187 HydrophobicContact CD2-CB 4.41Å; F176-F189 HydrophobicContact CD1-CZ 4.24Å; F176-F189 AromaticContact CD2-CE2 3.89Å; F176-F189 HydrophobicContact CD2-CE2 3.89Å; F176-F189 AromaticContact CD2-CZ 3.77Å; F176-F189 HydrophobicContact CD2-CZ 3.77Å; F176-F189 HydrophobicContact CE1-CZ 4.48Å; F176-F189 HydrophobicContact CE2-CE2 4.21Å; F176-F189 HydrophobicContact CE2-CZ 4.04Å; F176-F189 HydrophobicContact CG-CE2 4.38Å; F176-F189 AromaticContact CG-CZ 3.89Å; F176-F189 HydrophobicContact CG-CZ 3.89Å; F176-F189 HydrophobicContact CZ-CZ 4.39Å; F176-M200 HydrophobicContact CE1-CE 3.67Å; F176-M200 HydrophobicContact CE1-CG 4.3Å; F176-M200 HydrophobicContact CE1-SD 4.45Å; F176-M200 HydrophobicContact CZ-CE 3.58Å; F176-M200 HydrophobicContact CZ-SD 4.38Å; F176-S698 WeakPolarHBondContact CD2-OG 3.46Å; F176-S698 WeakPolarHBondContact CE2-OG 3.44Å; F176-S698 WeakPolarHBondContact O-CB 3.13Å; F176-S698 PolarHBondContact O-N 2.99Å; F176-S698 PolarHBondContact O-OG 3.17Å; F176-M703 HydrophobicContact CZ-CG 4.12Å; F176-I706 HydrophobicContact CD2-CD1 4.25Å; F176-I706 HydrophobicContact CE2-CD1 3.58Å
177N95.9Very high94.8Very high1 Ų128.8 Ų28.81%0.00515%0.145CC..  trans-121.1111.2177.7-168.2-3.5000111.2S152 G153 K179 E181 G186 A187 G696 S698S152-N177 PolarHBondContact O-N 2.82Å; G153-N177 WeakPolarHBondContact O-CB 3.44Å; N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 2.94Å; N177-K179 WeakPolarHBondContact OD1-CB 3.27Å; N177-K179 PolarHBondContact OD1-N 2.89Å; N177-E181 PolarHBondContact ND2-OE1 3.18Å; N177-G186 CarbonylContact O-C 3.35Å; N177-G186 VanDerWaalsContact O-CA 3.28Å; N177-G186 WeakPolarHBondContact O-CA 3.45Å; N177-A187 PolarHBondContact O-N 2.78Å; N177-G696 VanDerWaalsContact CB-O 3.28Å; N177-G696 WeakPolarHBondContact CB-O 3.32Å; N177-S698 WeakPolarHBondContact CA-OG 3.3Å
178H94.5Very high95.2Very high54 Ų5425.3 Ų25.325%0.2513%0.128CC..  trans-72.6-17.617671.4-74.4000113.9S698 D699 A702 I706H178-S698 PolarHBondContact N-OG 2.91Å; H178-S698 WeakPolarHBondContact ND1-CB 3.49Å; H178-S698 PolarHBondContact ND1-OG 2.95Å; H178-D699 IonicContact CE1-OD1 3.22Å; H178-A702 WeakPolarHBondContact CE1-CB 3.1Å; H178-A702 WeakPolarHBondContact ND1-CB 3.49Å; H178-A702 VanDerWaalsContact NE2-CB 3.31Å; H178-A702 WeakPolarHBondContact NE2-CB 3.43Å; H178-I706 HydrophobicContact CB-CD1 3.93Å
179K94.3Very high95.2Very high63 Ų6325 Ų2527%0.27413%0.125SC..SBendtrans-84.7143.7-178-63.9176.9-174.31530110.2N177 D699N177-K179 VanDerWaalsContact C-N 3.27Å; N177-K179 PolarHBondContact O-N 2.94Å; N177-K179 WeakPolarHBondContact OD1-CB 3.27Å; N177-K179 PolarHBondContact OD1-N 2.89Å; K179-D699 IonicContact NZ-OD2 2.68Å; K179-D699 PolarHBondContact NZ-OD2 2.98Å
180K94.2Very high94.8Very high137 Ų13730.5 Ų30.560%0.59615%0.153SC*.  trans-73.7130.1170.3-62.9-171.4179.4-1680110.2R212K180-R212 PolarHBondContact O-NH1 3.39Å
181E93.5Very high94.4Very high14 Ų1432.5 Ų32.57%0.06517%0.17CC..  trans-97.3-168.6176.3-65.9-149.2141.900111.4N177 L184 R212 R242N177-E181 PolarHBondContact ND2-OE1 3.18Å; E181-L184 HydrophobicContact CB-CB 4.47Å; E181-L184 PolarHBondContact N-O 3.46Å; E181-R212 PolarHBondContact O-NH1 3Å; E181-R212 VanDerWaalsContact O-NH1 3.1Å; E181-R242 VanDerWaalsContact CD-NH2 3.27Å; E181-R242 IonicContact OE1-CZ 2.81Å; E181-R242 IonicContact OE1-NH1 2.68Å; E181-R242 IonicContact OE1-NH2 3.36Å; E181-R242 PolarHBondContact OE1-NH2 2.78Å; E181-R242 IonicContact OE2-CZ 2.78Å; E181-R242 VanDerWaalsContact OE2-CZ 3.23Å; E181-R242 IonicContact OE2-NH1 3.02Å; E181-R242 PolarHBondContact OE2-NH1 2.84Å; E181-R242 IonicContact OE2-NH2 3.82Å; E181-R242 PolarHBondContact OE2-NH2 3.26Å
182R93.3Very high94.1Very high54 Ų5432.7 Ų32.720%0.20417%0.171CC..SBendtrans-73.7-44.6176.8-68174-179.4-92.1-6.2110.9D216 E245 F249R182-D216 IonicContact CZ-OD2 2.64Å; R182-D216 IonicContact NE-OD2 3.71Å; R182-D216 PolarHBondContact NE-OD2 3.29Å; R182-D216 IonicContact NH2-OD2 3.28Å; R182-D216 PolarHBondContact NH2-OD2 3.16Å; R182-E245 WeakPolarHBondContact CB-OE1 3.36Å; R182-E245 WeakPolarHBondContact CB-OE2 3.49Å; R182-E245 WeakPolarHBondContact CG-OE1 3.19Å; R182-E245 PolarHBondContact N-OE1 2.94Å; R182-E245 PolarHBondContact N-OE2 3.16Å; R182-F249 VanDerWaalsContact NH2-CD2 3.27Å
183H94.4Very high93.7Very high0 Ų037.9 Ų37.90%020%0.198CC..SBendtrans-102.4-17.5-177.376.4-69.8000114.3E245 M287 S288 F303H183-E245 IonicContact CE1-OE2 2.67Å; H183-E245 IonicContact CG-OE2 2.75Å; H183-E245 PolarHBondContact N-OE2 3.14Å; H183-E245 IonicContact ND1-OE2 3.83Å; H183-E245 PolarHBondContact ND1-OE2 3.12Å; H183-M287 CarbonylContact O-C 3.55Å; H183-M287 WeakPolarHBondContact O-CA 3.5Å; H183-M287 VanDerWaalsContact O-CB 3.31Å; H183-M287 WeakPolarHBondContact O-CB 3.38Å; H183-S288 PolarHBondContact O-N 3.05Å; H183-F303 HydrophobicContact CB-CE2 4.48Å; H183-F303 HydrophobicContact CB-CZ 3.99Å
184L96.3Very high93.6Very high7 Ų745 Ų454%0.03722%0.224CC..  trans-116.4149.6-178.3-57.8177000113.8T155 L156 E181T155-L184 VanDerWaalsContact C-CD1 3.48Å; L156-L184 HydrophobicContact CB-CD2 4.3Å; L156-L184 HydrophobicContact CD1-CD2 3.76Å; E181-L184 HydrophobicContact CB-CB 4.47Å; E181-L184 PolarHBondContact N-O 3.46Å
185N95.4Very high93.6Very high51 Ų5145 Ų4527%0.27322%0.224SC..PPolyproline II helixtrans-74.8161.1162.6-70.7-32.4000110.1G153 S288 E289G153-N185 VanDerWaalsContact CA-O 3.24Å; G153-N185 WeakPolarHBondContact CA-O 3.49Å; N185-S288 WeakPolarHBondContact OD1-CA 3.41Å; N185-S288 WeakPolarHBondContact OD1-CB 3.49Å; N185-E289 PolarHBondContact OD1-N 2.95Å
186G95.3Very high93.7Very high10 Ų1046.4 Ų46.410%0.10323%0.23CC..PPolyproline II helixtrans-73.9164.9171.100000112.2N177N177-G186 CarbonylContact O-C 3.35Å; N177-G186 VanDerWaalsContact O-CA 3.28Å; N177-G186 WeakPolarHBondContact O-CA 3.45Å
187A96.6Very high93.7Very high17 Ų1746 Ų4614%0.1423%0.229CC..PPolyproline II helixtrans-56139.9176.800000112P151 S152 I160 F176 N177 F189P151-A187 WeakPolarHBondContact O-CA 3.45Å; S152-A187 VanDerWaalsContact O-CB 3.24Å; S152-A187 WeakPolarHBondContact O-CB 3.33Å; I160-A187 HydrophobicContact CD1-CB 4.28Å; F176-A187 HydrophobicContact CB-CB 4.11Å; F176-A187 HydrophobicContact CD2-CB 4.41Å; N177-A187 PolarHBondContact O-N 2.78Å; A187-F189 HydrophobicContact CB-CD2 4.38Å; A187-F189 HydrophobicContact CB-CE2 3.81Å
188T92.9Very high93.8Very high51 Ų5146 Ų4631%0.31323%0.229SC..  trans-116.1122.9178-54.90000110.8P151 D190P151-T188 PolarHBondContact O-N 3.32Å; P151-T188 VanDerWaalsContact O-N 3.16Å; T188-D190 HydrophobicContact CG2-CB 4.09Å; T188-D190 WeakPolarHBondContact CG2-OD2 3.34Å
189F92.9Very high93.9Very high22 Ų2243.4 Ų43.410%0.09622%0.217CC..  trans-111.76.1-178.7-73.8-80.9000113.7I160 A173 F176 A187 A191 C192 I706 L710I160-F189 HydrophobicContact CD1-CD1 4.32Å; I160-F189 HydrophobicContact CD1-CE1 3.62Å; I160-F189 HydrophobicContact CD1-CE2 4.11Å; I160-F189 HydrophobicContact CD1-CZ 3.49Å; I160-F189 VanDerWaalsContact CD1-CZ 3.49Å; A173-F189 HydrophobicContact CB-CE1 4.17Å; F176-F189 HydrophobicContact CD1-CZ 4.24Å; F176-F189 AromaticContact CD2-CE2 3.89Å; F176-F189 HydrophobicContact CD2-CE2 3.89Å; F176-F189 AromaticContact CD2-CZ 3.77Å; F176-F189 HydrophobicContact CD2-CZ 3.77Å; F176-F189 HydrophobicContact CE1-CZ 4.48Å; F176-F189 HydrophobicContact CE2-CE2 4.21Å; F176-F189 HydrophobicContact CE2-CZ 4.04Å; F176-F189 HydrophobicContact CG-CE2 4.38Å; F176-F189 AromaticContact CG-CZ 3.89Å; F176-F189 HydrophobicContact CG-CZ 3.89Å; F176-F189 HydrophobicContact CZ-CZ 4.39Å; A187-F189 HydrophobicContact CB-CD2 4.38Å; A187-F189 HydrophobicContact CB-CE2 3.81Å; F189-A191 PolarHBondContact O-N 2.92Å; F189-A191 VanDerWaalsContact O-N 3.1Å; F189-C192 WeakPolarHBondContact O-CB 3.35Å; F189-C192 PolarHBondContact O-N 3.21Å; F189-I706 HydrophobicContact CD1-CG2 4.43Å; F189-I706 HydrophobicContact CD2-CG2 3.92Å; F189-I706 HydrophobicContact CE1-CG2 4.29Å; F189-I706 HydrophobicContact CE2-CD1 4.06Å; F189-I706 HydrophobicContact CE2-CG1 4.49Å; F189-I706 HydrophobicContact CE2-CG2 3.78Å; F189-I706 HydrophobicContact CG-CG2 4.24Å; F189-I706 HydrophobicContact CZ-CG2 3.97Å; F189-L710 HydrophobicContact CB-CD2 3.8Å; F189-L710 HydrophobicContact CD1-CD1 3.78Å; F189-L710 HydrophobicContact CD1-CD2 3.96Å; F189-L710 HydrophobicContact CD1-CG 4.32Å; F189-L710 HydrophobicContact CE1-CD1 4.05Å; F189-L710 HydrophobicContact CG-CD1 4.41Å; F189-L710 HydrophobicContact CG-CD2 4.19Å
190D86.1Confident94Very high136 Ų13640.4 Ų40.473%0.72720%0.204SC*.G310 helixtrans-57.6-32-172.7-61.2-20.8000113.3T188 C192T188-D190 HydrophobicContact CG2-CB 4.09Å; T188-D190 WeakPolarHBondContact CG2-OD2 3.34Å; D190-C192 VanDerWaalsContact C-N 3.31Å
191A88.5Confident94Very high46 Ų4634.8 Ų34.838%0.3818%0.18SC..G310 helixtrans-82.9-4.1178.100000114L150 K162 F189L150-A191 HydrophobicContact CD1-CB 4.19Å; L150-A191 HydrophobicContact CD2-CB 4.08Å; K162-A191 WeakPolarHBondContact CE-O 3.46Å; K162-A191 PolarHBondContact NZ-O 3.08Å; F189-A191 PolarHBondContact O-N 2.92Å; F189-A191 VanDerWaalsContact O-N 3.1Å
192C91Very high94Very high4 Ų434.1 Ų34.13%0.02718%0.177CC..G310 helixtrans-111.318.7-170-69.90000113.7L150 V171 F189 D190 R194 P195 L710L150-C192 WeakPolarHBondContact CD1-SG 3.19Å; V171-C192 HydrophobicContact CG1-CB 4.44Å; V171-C192 HydrophobicContact CG2-CB 3.91Å; F189-C192 WeakPolarHBondContact O-CB 3.35Å; F189-C192 PolarHBondContact O-N 3.21Å; D190-C192 VanDerWaalsContact C-N 3.31Å; C192-R194 PolarHBondContact O-N 3.3Å; C192-P195 VanDerWaalsContact O-CD 3.22Å; C192-P195 WeakPolarHBondContact O-CD 3.21Å; C192-L710 HydrophobicContact CB-CD2 3.86Å; C192-L710 WeakPolarHBondContact O-CD2 3.26Å
193I91.7Very high93.8Very high110 Ų11031.9 Ų31.956%0.56417%0.17SC*.SBendtrans-63.8131-178-54.7-59.1000111.3
194R94Very high93.7Very high149 Ų14932.9 Ų32.956%0.56218%0.175SC*.SBendtrans53.256.8178.7-159.9179.5681101.5113.3C192 L710 R711 Q713C192-R194 PolarHBondContact O-N 3.3Å; R194-L710 WeakPolarHBondContact CA-O 3.46Å; R194-L710 PolarHBondContact N-O 2.97Å; R194-R711 WeakPolarHBondContact CA-O 3.46Å; R194-Q713 HydrophobicContact CG-CG 4.28Å
195P95.2Very high93.6Very high1 Ų132.8 Ų32.81%0.00618%0.175CC..  trans-64.9149.117931.9-32.2000110S169 V171 C192 L198 P712 Q713S169-P195 WeakPolarHBondContact OG-CA 3.15Å; V171-P195 HydrophobicContact CB-CB 4.33Å; V171-P195 HydrophobicContact CG2-CB 3.69Å; V171-P195 HydrophobicContact CG2-CG 4.38Å; C192-P195 VanDerWaalsContact O-CD 3.22Å; C192-P195 WeakPolarHBondContact O-CD 3.21Å; P195-L198 HydrophobicContact CG-CB 4.2Å; P195-P712 HydrophobicContact CG-CB 3.97Å; P195-Q713 PolarHBondContact O-N 3.31Å
196H94.6Very high93.5Very high38 Ų3834.8 Ų34.818%0.17619%0.185CC..SBendtrans-67.1-46.8173.8-70.275.4000110.2D167 T168 S169 Q713 E714D167-H196 PolarHBondContact O-CE1 3.28Å; D167-H196 PolarHBondContact O-ND1 3.31Å; T168-H196 HydrophobicContact CG2-CB 4.24Å; S169-H196 PolarHBondContact N-ND1 3.27Å; S169-H196 VanDerWaalsContact N-ND1 3.12Å; S169-H196 WeakPolarHBondContact O-CA 3.33Å; S169-H196 VanDerWaalsContact O-CB 3.31Å; S169-H196 WeakPolarHBondContact O-CB 3.37Å; S169-H196 PolarHBondContact O-N 3.04Å; S169-H196 PolarHBondContact OG-N 2.93Å; S169-H196 PolarHBondContact OG-ND1 3.37Å; H196-Q713 PolarHBondContact NE2-NE2 2.98Å; H196-E714 WeakPolarHBondContact O-CB 3.4Å; H196-E714 PolarHBondContact O-N 3.06Å; H196-E714 VanDerWaalsContact O-N 3.08Å
197L96.3Very high93.3Very high2 Ų236.7 Ų36.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-128.5130.6176.1178.761.4000109.8I6 S169 I170 V171 I199 E714 I716 C754I6-L197 HydrophobicContact CG2-CD2 3.88Å; S169-L197 PolarHBondContact O-N 3.41Å; S169-L197 VanDerWaalsContact O-N 3.13Å; I170-L197 CarbonylContact C-O 3.52Å; I170-L197 WeakPolarHBondContact CA-O 3.39Å; I170-L197 HydrophobicContact CG1-CB 4.27Å; I170-L197 HydrophobicContact CG2-CB 4.23Å; I170-L197 HydrophobicContact CG2-CD2 4.05Å; I170-L197 HydrophobicContact CG2-CG 4.26Å; V171-L197 PolarHBondContact N-O 2.96Å; L197-I199 HydrophobicContact CD2-CD1 4.48Å; L197-I199 HydrophobicContact CD2-CG1 4.4Å; L197-I199 HydrophobicContact CG-CG1 4.3Å; L197-E714 WeakPolarHBondContact CA-O 3.43Å; L197-E714 HydrophobicContact CD1-CB 4.36Å; L197-E714 HydrophobicContact CD1-CG 4.12Å; L197-I716 HydrophobicContact CD1-CD1 3.86Å; L197-I716 HydrophobicContact CD1-CG1 3.88Å; L197-I716 HydrophobicContact CD2-CD1 4.18Å; L197-C754 HydrophobicContact CD1-CB 4.42Å; L197-C754 HydrophobicContact CD2-CB 4.26Å
198L97.8Very high93Very high0 Ų041.3 Ų41.30%022%0.216CC..EExtended strand (participates in β ladder)trans-115.1121.617017664.7000109.6V171 A173 P195 M200 L707 L710 P712 E714 I715 I716V171-L198 HydrophobicContact CB-CD1 3.88Å; V171-L198 HydrophobicContact CG1-CD1 3.76Å; V171-L198 WeakPolarHBondContact O-CA 3.28Å; A173-L198 HydrophobicContact CB-CD1 4.34Å; P195-L198 HydrophobicContact CG-CB 4.2Å; L198-M200 HydrophobicContact CD2-CE 4.16Å; L198-M200 HydrophobicContact CG-CB 4.32Å; L198-L707 HydrophobicContact CD2-CD2 3.46Å; L198-L707 VanDerWaalsContact CD2-CD2 3.46Å; L198-L710 HydrophobicContact CD1-CD1 4.48Å; L198-L710 HydrophobicContact CD2-CD1 4.04Å; L198-P712 HydrophobicContact CB-CB 3.77Å; L198-P712 HydrophobicContact CB-CG 4.44Å; L198-P712 HydrophobicContact CD2-CB 4.15Å; L198-P712 HydrophobicContact CD2-CG 3.97Å; L198-E714 PolarHBondContact N-O 2.94Å; L198-I715 HydrophobicContact CB-CG1 4.35Å; L198-I715 HydrophobicContact CD2-CD1 4.14Å; L198-I715 HydrophobicContact CD2-CG1 4.45Å; L198-I715 HydrophobicContact CG-CG1 4.45Å; L198-I715 CarbonylContact O-C 3.57Å; L198-I715 WeakPolarHBondContact O-CA 3.29Å; L198-I715 WeakPolarHBondContact O-CG1 3.3Å; L198-I716 PolarHBondContact O-N 3.44Å
199I98Very high92.7Very high0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans-103.3119.2170.9-53.8167.2000106.8L8 L33 I170 V171 Y172 A173 L197 I716 V718L8-I199 HydrophobicContact CD1-CD1 3.82Å; L8-I199 HydrophobicContact CD2-CD1 4.06Å; L8-I199 HydrophobicContact CD2-CG1 4.38Å; L8-I199 HydrophobicContact CD2-CG2 4.34Å; L33-I199 HydrophobicContact CD1-CD1 4.11Å; I170-I199 HydrophobicContact CG2-CD1 4.37Å; V171-I199 PolarHBondContact O-N 3.29Å; Y172-I199 HydrophobicContact CD2-CB 4.01Å; Y172-I199 HydrophobicContact CD2-CD1 4.41Å; Y172-I199 HydrophobicContact CD2-CG2 3.83Å; Y172-I199 HydrophobicContact CE2-CG2 4.21Å; A173-I199 PolarHBondContact N-O 3.21Å; L197-I199 HydrophobicContact CD2-CD1 4.48Å; L197-I199 HydrophobicContact CD2-CG1 4.4Å; L197-I199 HydrophobicContact CG-CG1 4.3Å; I199-I716 WeakPolarHBondContact CA-O 3.5Å; I199-I716 HydrophobicContact CG1-CB 4.34Å; I199-I716 HydrophobicContact CG1-CD1 4.29Å; I199-V718 HydrophobicContact CG2-CG1 4.38Å; I199-V718 HydrophobicContact CG2-CG2 4.49Å
200M96.4Very high92.6Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-139.4140.6-173164.8176-70.400111A173 F176 L198 M703 L707 I716 L717 V718 L728A173-M200 WeakPolarHBondContact O-CA 3.38Å; F176-M200 HydrophobicContact CE1-CE 3.67Å; F176-M200 HydrophobicContact CE1-CG 4.3Å; F176-M200 HydrophobicContact CE1-SD 4.45Å; F176-M200 HydrophobicContact CZ-CE 3.58Å; F176-M200 HydrophobicContact CZ-SD 4.38Å; L198-M200 HydrophobicContact CD2-CE 4.16Å; L198-M200 HydrophobicContact CG-CB 4.32Å; M200-M703 HydrophobicContact CG-CE 4.45Å; M200-M703 HydrophobicContact SD-CE 4.2Å; M200-L707 HydrophobicContact CE-CD2 4.05Å; M200-L707 HydrophobicContact CE-CG 4.34Å; M200-L707 HydrophobicContact SD-CD1 4.23Å; M200-L707 HydrophobicContact SD-CD2 3.98Å; M200-L707 HydrophobicContact SD-CG 4.14Å; M200-I716 PolarHBondContact N-O 3.01Å; M200-L717 WeakPolarHBondContact O-CA 3.18Å; M200-V718 WeakPolarHBondContact O-CG2 3.36Å; M200-V718 PolarHBondContact O-N 3.25Å; M200-L728 HydrophobicContact SD-CD2 4.28Å
201D93.5Very high92.9Very high19 Ų1943 Ų4310%0.10221%0.213CC..EExtended strand (participates in β ladder)trans-73.9124.1166.6-175.31000110.3L174 S203 M703 V718 G719L174-D201 HydrophobicContact CD2-CB 3.98Å; D201-S203 WeakPolarHBondContact OD1-CB 3.5Å; D201-S203 PolarHBondContact OD1-N 3.3Å; D201-S203 PolarHBondContact OD1-OG 3.19Å; D201-M703 WeakPolarHBondContact O-CE 3.33Å; D201-V718 WeakPolarHBondContact CA-O 3.46Å; D201-G719 WeakPolarHBondContact OD1-CA 3.47Å
202G92.9Very high93.1Very high0 Ų045.3 Ų45.30%021%0.212CC..  trans-94.40177.800000115.1N204 T205 V718G202-N204 VanDerWaalsContact C-N 3.26Å; G202-N204 PolarHBondContact O-N 3.27Å; G202-N204 VanDerWaalsContact O-N 3.13Å; G202-T205 WeakPolarHBondContact O-CB 3.34Å; G202-T205 PolarHBondContact O-N 3.12Å; G202-T205 VanDerWaalsContact O-N 3.08Å; G202-T205 PolarHBondContact O-OG1 3.37Å; G202-V718 PolarHBondContact N-O 3.45Å
203S90.9Very high93.2Very high6 Ų653.2 Ų53.24%0.04225%0.246CC..THydrogen-bonded Turntrans-62.5-28.6-164.1-58.30000114.5D201 G719 N720 N721 A724D201-S203 WeakPolarHBondContact OD1-CB 3.5Å; D201-S203 PolarHBondContact OD1-N 3.3Å; D201-S203 PolarHBondContact OD1-OG 3.19Å; S203-G719 VanDerWaalsContact OG-CA 3.27Å; S203-G719 WeakPolarHBondContact OG-CA 3.41Å; S203-N720 PolarHBondContact OG-N 2.62Å; S203-N720 VanDerWaalsContact OG-N 3.08Å; S203-N720 PolarHBondContact OG-OD1 3.3Å; S203-N721 PolarHBondContact O-ND2 3.11Å; S203-A724 WeakPolarHBondContact O-CB 3.27Å
204N91.7Very high93.4Very high21 Ų2150.6 Ų50.611%0.11223%0.233CC..THydrogen-bonded Turntrans-92.39.2-179.2-80.919000114.4G202 L206 Y207 E695 R697 S698 G700 M703G202-N204 VanDerWaalsContact C-N 3.26Å; G202-N204 PolarHBondContact O-N 3.27Å; G202-N204 VanDerWaalsContact O-N 3.13Å; N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.15Å; N204-Y207 WeakPolarHBondContact O-CB 3.43Å; N204-Y207 PolarHBondContact O-N 3.41Å; N204-E695 PolarHBondContact ND2-OE1 3.24Å; N204-R697 WeakPolarHBondContact ND2-CB 3.49Å; N204-S698 WeakPolarHBondContact CB-O 3.25Å; N204-S698 PolarHBondContact ND2-O 3.14Å; N204-G700 PolarHBondContact O-N 2.84Å; N204-M703 HydrophobicContact CB-SD 4.07Å
205T93.3Very high93.4Very high5 Ų544 Ų443%0.03121%0.208CC..THydrogen-bonded Turntrans-62.2-32.6-173.6-60.20000114.1G202 G700 A724 H727 L728G202-T205 WeakPolarHBondContact O-CB 3.34Å; G202-T205 PolarHBondContact O-N 3.12Å; G202-T205 VanDerWaalsContact O-N 3.08Å; G202-T205 PolarHBondContact O-OG1 3.37Å; T205-G700 VanDerWaalsContact O-CA 3.29Å; T205-G700 WeakPolarHBondContact O-CA 3.44Å; T205-A724 VanDerWaalsContact CB-O 3.31Å; T205-A724 WeakPolarHBondContact CB-O 3.5Å; T205-H727 HydrophobicContact CG2-CB 4.4Å; T205-L728 HydrophobicContact CG2-CB 3.8Å; T205-L728 HydrophobicContact CG2-CD1 3.91Å; T205-L728 HydrophobicContact CG2-CG 4.36Å; T205-L728 WeakPolarHBondContact OG1-CD2 3.43Å
206L93.3Very high93.5Very high93 Ų9344.2 Ų44.249%0.48721%0.209SC..THydrogen-bonded Turntrans-92.7-3.2177-65174.2000112.5N204 P723 A724 H727N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.15Å; L206-P723 HydrophobicContact CD1-CB 4.11Å; L206-A724 HydrophobicContact CB-CB 4.36Å; L206-A724 HydrophobicContact CD1-CB 4.1Å; L206-A724 HydrophobicContact CG-CB 4Å; L206-H727 HydrophobicContact CD2-CB 3.91Å; L206-H727 HydrophobicContact CG-CB 4.35Å
207Y91.4Very high93.5Very high51 Ų5145.6 Ų45.620%0.222%0.216CC..  trans-89.8136.8-176.7-175.5-113000111.3N204 Q209 D693 D699 G700N204-Y207 WeakPolarHBondContact O-CB 3.43Å; N204-Y207 PolarHBondContact O-N 3.41Å; Y207-Q209 HydrophobicContact CE1-CB 4.03Å; Y207-Q209 HydrophobicContact CE1-CG 4.43Å; Y207-D693 WeakPolarHBondContact CE1-OD2 3.4Å; Y207-D693 VanDerWaalsContact CZ-OD2 3.31Å; Y207-D693 VanDerWaalsContact OH-CB 3.27Å; Y207-D693 WeakPolarHBondContact OH-CB 3.45Å; Y207-D693 PolarHBondContact OH-OD2 3.08Å; Y207-D699 WeakPolarHBondContact O-CB 3.2Å; Y207-G700 PolarHBondContact O-N 3.06Å
208T91.3Very high93.5Very high113 Ų11349.1 Ų49.169%0.69324%0.235SC*.  trans-114.1113.6173.7-59.60000108.9
209Q86.9Confident93.5Very high19 Ų1949.2 Ų49.29%0.08924%0.235CC..PPolyproline II helixtrans-78.6136.2-176.8-172.3-178.653.800111.4Y207 R697 D699Y207-Q209 HydrophobicContact CE1-CB 4.03Å; Y207-Q209 HydrophobicContact CE1-CG 4.43Å; Q209-R697 PolarHBondContact NE2-O 3.39Å; Q209-D699 HydrophobicContact CB-CB 4.09Å
210P90.3Very high93.5Very high53 Ų5351.9 Ų51.934%0.34425%0.245SC..PPolyproline II helixtrans-62.4155.6173.126.7-34.5000111.5R212 R215P210-R212 PolarHBondContact O-N 3.2Å; P210-R215 HydrophobicContact CG-CB 4.41Å
211R91.6Very high93.5Very high174 Ų17456.5 Ų56.566%0.65727%0.267SS*.PPolyproline II helixtrans-64.8136.2174.3-59.6-178.4-60-177.12.3108.9K213 D214 R215R211-K213 PolarHBondContact O-N 3.4Å; R211-K213 VanDerWaalsContact O-N 3.1Å; R211-D214 IonicContact CZ-OD1 3.08Å; R211-D214 IonicContact CZ-OD2 2.81Å; R211-D214 IonicContact NE-OD1 3.06Å; R211-D214 IonicContact NE-OD2 3.29Å; R211-D214 PolarHBondContact NE-OD2 2.83Å; R211-D214 VanDerWaalsContact NH2-CG 3.3Å; R211-D214 IonicContact NH2-OD1 3.23Å; R211-D214 PolarHBondContact NH2-OD1 2.96Å; R211-D214 IonicContact NH2-OD2 2.66Å; R211-D214 PolarHBondContact NH2-OD2 3.22Å; R211-D214 PolarHBondContact O-N 2.92Å; R211-R215 PolarHBondContact O-N 3.34Å
212R92.5Very high93.7Very high93 Ų9356.6 Ų56.635%0.35127%0.268SS..Hα-helixtrans-48.3-43.9179.8-167.7-175.582.9-175.611.3113K180 E181 P210 D214 R215 D216K180-R212 PolarHBondContact O-NH1 3.39Å; E181-R212 PolarHBondContact O-NH1 3Å; E181-R212 VanDerWaalsContact O-NH1 3.1Å; P210-R212 PolarHBondContact O-N 3.2Å; R212-D214 PolarHBondContact O-N 2.75Å; R212-R215 PolarHBondContact O-N 3.08Å; R212-D216 WeakPolarHBondContact O-CB 3.15Å; R212-D216 PolarHBondContact O-N 3.13Å
213K94Very high93.9Very high171 Ų17156.6 Ų56.674%0.74327%0.268SS*.Hα-helixtrans-60.3-43.5179.3-173.4-176.7177.7-174.20112.3R211 E217R211-K213 PolarHBondContact O-N 3.4Å; R211-K213 VanDerWaalsContact O-N 3.1Å; K213-E217 VanDerWaalsContact O-CB 3.31Å; K213-E217 WeakPolarHBondContact O-CB 3.48Å; K213-E217 PolarHBondContact O-N 2.91Å
214D95.5Very high94.2Very high55 Ų5557 Ų5729%0.29427%0.27SS..Hα-helixtrans-71.9-41.6-178.1-57.5-22.5000110.4R211 R212 E217 N218R211-D214 IonicContact CZ-OD1 3.08Å; R211-D214 IonicContact CZ-OD2 2.81Å; R211-D214 IonicContact NE-OD1 3.06Å; R211-D214 IonicContact NE-OD2 3.29Å; R211-D214 PolarHBondContact NE-OD2 2.83Å; R211-D214 VanDerWaalsContact NH2-CG 3.3Å; R211-D214 IonicContact NH2-OD1 3.23Å; R211-D214 PolarHBondContact NH2-OD1 2.96Å; R211-D214 IonicContact NH2-OD2 2.66Å; R211-D214 PolarHBondContact NH2-OD2 3.22Å; R211-D214 PolarHBondContact O-N 2.92Å; R212-D214 PolarHBondContact O-N 2.75Å; D214-E217 PolarHBondContact O-N 3.37Å; D214-N218 WeakPolarHBondContact O-CB 3.36Å; D214-N218 PolarHBondContact O-N 3.44Å; D214-N218 PolarHBondContact O-ND2 2.7Å; D214-N218 PolarHBondContact O-OD1 3.19Å
215R94.5Very high94.5Very high9 Ų960.8 Ų60.83%0.03429%0.285CS..Hα-helixtrans-59.3-49.8174.6-180-165.466.4-173.76.1111.9P210 R211 R212 E217 N218 L219 D693 Y694P210-R215 HydrophobicContact CG-CB 4.41Å; R211-R215 PolarHBondContact O-N 3.34Å; R212-R215 PolarHBondContact O-N 3.08Å; R215-E217 VanDerWaalsContact C-N 3.31Å; R215-E217 PolarHBondContact O-N 3.28Å; R215-N218 WeakPolarHBondContact O-CB 3.34Å; R215-N218 PolarHBondContact O-N 2.8Å; R215-L219 PolarHBondContact O-N 3.08Å; R215-D693 WeakPolarHBondContact CD-O 3.24Å; R215-D693 PolarHBondContact NH1-O 3.07Å; R215-Y694 VanDerWaalsContact CD-CE2 3.48Å; R215-Y694 HydrophobicContact CG-CD2 4.21Å; R215-Y694 HydrophobicContact CG-CE2 3.62Å; R215-Y694 VanDerWaalsContact CZ-CD1 3.44Å; R215-Y694 VanDerWaalsContact NE-CE1 3.3Å; R215-Y694 VanDerWaalsContact NE-CZ 3.25Å; R215-Y694 VanDerWaalsContact NH2-CE1 3.29Å
216D95.8Very high94.7Very high6 Ų660.5 Ų60.53%0.03228%0.284CS..Hα-helixtrans-62.4-41.3-179.6-71.3-3.7000111R182 R212 L219 R220 F249 Y694R182-D216 IonicContact CZ-OD2 2.64Å; R182-D216 IonicContact NE-OD2 3.71Å; R182-D216 PolarHBondContact NE-OD2 3.29Å; R182-D216 IonicContact NH2-OD2 3.28Å; R182-D216 PolarHBondContact NH2-OD2 3.16Å; R212-D216 WeakPolarHBondContact O-CB 3.15Å; R212-D216 PolarHBondContact O-N 3.13Å; D216-L219 PolarHBondContact O-N 2.59Å; D216-R220 WeakPolarHBondContact O-CB 3.31Å; D216-R220 PolarHBondContact O-N 2.83Å; D216-F249 HydrophobicContact CB-CD2 4.35Å; D216-F249 HydrophobicContact CB-CE1 4.24Å; D216-F249 HydrophobicContact CB-CE2 3.75Å; D216-F249 HydrophobicContact CB-CZ 3.68Å; D216-F249 WeakPolarHBondContact O-CE1 2.98Å; D216-F249 WeakPolarHBondContact O-CZ 3.25Å; D216-Y694 WeakPolarHBondContact CA-OH 3.46Å; D216-Y694 PolarHBondContact OD1-OH 2.9Å
217E95.9Very high94.9Very high67 Ų6756.2 Ų56.231%0.31326%0.261SS..Hα-helixtrans-64.7-41.5175.2-178.858.3-166.900111.9K213 D214 R215 L219 R220 Q221K213-E217 VanDerWaalsContact O-CB 3.31Å; K213-E217 WeakPolarHBondContact O-CB 3.48Å; K213-E217 PolarHBondContact O-N 2.91Å; D214-E217 PolarHBondContact O-N 3.37Å; R215-E217 VanDerWaalsContact C-N 3.31Å; R215-E217 PolarHBondContact O-N 3.28Å; E217-L219 PolarHBondContact O-N 2.87Å; E217-R220 VanDerWaalsContact CD-NH2 3.34Å; E217-R220 PolarHBondContact O-N 3.09Å; E217-R220 IonicContact OE1-CZ 3.05Å; E217-R220 IonicContact OE1-NE 3.57Å; E217-R220 IonicContact OE1-NH2 2.99Å; E217-R220 PolarHBondContact OE1-NH2 2.8Å; E217-R220 IonicContact OE2-CZ 3.25Å; E217-R220 IonicContact OE2-NE 3.73Å; E217-R220 PolarHBondContact OE2-NE 2.83Å; E217-R220 IonicContact OE2-NH2 3.86Å; E217-R220 PolarHBondContact OE2-NH2 2.84Å; E217-Q221 HydrophobicContact CG-CG 4.43Å; E217-Q221 WeakPolarHBondContact O-CB 3.28Å; E217-Q221 VanDerWaalsContact O-CG 3.28Å; E217-Q221 WeakPolarHBondContact O-CG 3.48Å; E217-Q221 PolarHBondContact O-N 3.22Å; E217-Q221 WeakPolarHBondContact OE1-CG 3.4Å; E217-Q221 PolarHBondContact OE1-NE2 2.71Å
218N96.6Very high95.1Very high77 Ų7762 Ų6241%0.41228%0.283SS..Hα-helixtrans-61.8-42.4174.8-71.5-11.3000111.8D214 R215 Q221 T222 L692D214-N218 WeakPolarHBondContact O-CB 3.36Å; D214-N218 PolarHBondContact O-N 3.44Å; D214-N218 PolarHBondContact O-ND2 2.7Å; D214-N218 PolarHBondContact O-OD1 3.19Å; R215-N218 WeakPolarHBondContact O-CB 3.34Å; R215-N218 PolarHBondContact O-N 2.8Å; N218-Q221 PolarHBondContact O-N 2.81Å; N218-T222 VanDerWaalsContact O-CB 3.29Å; N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 PolarHBondContact O-N 3.18Å; N218-T222 PolarHBondContact O-OG1 3.42Å; N218-L692 HydrophobicContact CB-CD2 4.16Å
219L97.6Very high95.4Very high1 Ų161.4 Ų61.41%0.00527%0.268CS..Hα-helixtrans-60.5-50.3175.2176.458.1000110.7R215 D216 E217 Q221 T222 V223 I235 V246 F249 L250 I354 L692 Y694R215-L219 PolarHBondContact O-N 3.08Å; D216-L219 PolarHBondContact O-N 2.59Å; E217-L219 PolarHBondContact O-N 2.87Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; L219-Q221 PolarHBondContact O-N 2.9Å; L219-T222 PolarHBondContact O-N 3.18Å; L219-V223 HydrophobicContact CD1-CG2 3.93Å; L219-V223 WeakPolarHBondContact O-CB 3.49Å; L219-V223 VanDerWaalsContact O-CG2 3.31Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; L219-I235 HydrophobicContact CD1-CD1 4.23Å; L219-V246 HydrophobicContact CD2-CG1 4.25Å; L219-F249 HydrophobicContact CB-CE1 4.09Å; L219-F249 HydrophobicContact CD2-CD1 3.64Å; L219-F249 HydrophobicContact CD2-CE1 3.74Å; L219-F249 HydrophobicContact CG-CD1 4.38Å; L219-F249 HydrophobicContact CG-CE1 4Å; L219-L250 HydrophobicContact CD2-CD2 4.46Å; L219-I354 HydrophobicContact CD1-CD1 3.67Å; L219-I354 HydrophobicContact CD1-CG2 4.34Å; L219-L692 HydrophobicContact CB-CD1 3.79Å; L219-L692 HydrophobicContact CD1-CD1 3.74Å; L219-L692 HydrophobicContact CG-CD1 4.36Å; L219-Y694 HydrophobicContact CB-CE2 4.25Å; L219-Y694 HydrophobicContact CD2-CE2 3.71Å; L219-Y694 WeakPolarHBondContact CD2-OH 3.43Å
220R97.1Very high95.9Very high56 Ų5662.7 Ų62.721%0.21129%0.286CS..Hα-helixtrans-59.1-44.9179.3-170.4-169.169.675.7-1112D216 E217 L224 F249 L261D216-R220 WeakPolarHBondContact O-CB 3.31Å; D216-R220 PolarHBondContact O-N 2.83Å; E217-R220 VanDerWaalsContact CD-NH2 3.34Å; E217-R220 PolarHBondContact O-N 3.09Å; E217-R220 IonicContact OE1-CZ 3.05Å; E217-R220 IonicContact OE1-NE 3.57Å; E217-R220 IonicContact OE1-NH2 2.99Å; E217-R220 PolarHBondContact OE1-NH2 2.8Å; E217-R220 IonicContact OE2-CZ 3.25Å; E217-R220 IonicContact OE2-NE 3.73Å; E217-R220 PolarHBondContact OE2-NE 2.83Å; E217-R220 IonicContact OE2-NH2 3.86Å; E217-R220 PolarHBondContact OE2-NH2 2.84Å; R220-L224 VanDerWaalsContact O-CB 3.25Å; R220-L224 WeakPolarHBondContact O-CB 3.43Å; R220-L224 PolarHBondContact O-N 2.81Å; R220-F249 HydrophobicContact CB-CE1 4.48Å; R220-F249 HydrophobicContact CB-CZ 4.1Å; R220-L261 HydrophobicContact CG-CD1 4.39Å
221Q96.7Very high96.2Very high98 Ų9860.2 Ų60.246%0.45827%0.27SS..Hα-helixtrans-66.3-43.3179.1-73.9-1774.800111.9E217 N218 L219 L224 K225E217-Q221 HydrophobicContact CG-CG 4.43Å; E217-Q221 WeakPolarHBondContact O-CB 3.28Å; E217-Q221 VanDerWaalsContact O-CG 3.28Å; E217-Q221 WeakPolarHBondContact O-CG 3.48Å; E217-Q221 PolarHBondContact O-N 3.22Å; E217-Q221 WeakPolarHBondContact OE1-CG 3.4Å; E217-Q221 PolarHBondContact OE1-NE2 2.71Å; N218-Q221 PolarHBondContact O-N 2.81Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; L219-Q221 PolarHBondContact O-N 2.9Å; Q221-L224 PolarHBondContact O-N 2.82Å; Q221-K225 WeakPolarHBondContact O-CB 3.45Å; Q221-K225 PolarHBondContact O-N 2.83Å
222T97.5Very high96.5Very high21 Ų2152.3 Ų52.313%0.12924%0.241CC..Hα-helixtrans-60.9-51177.7-57.20000110.3N218 L219 L224 K225 S226 T352 I354 V690N218-T222 VanDerWaalsContact O-CB 3.29Å; N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 PolarHBondContact O-N 3.18Å; N218-T222 PolarHBondContact O-OG1 3.42Å; L219-T222 PolarHBondContact O-N 3.18Å; T222-L224 PolarHBondContact O-N 3.17Å; T222-K225 PolarHBondContact O-N 3.4Å; T222-S226 PolarHBondContact O-N 2.89Å; T222-S226 VanDerWaalsContact O-N 3.11Å; T222-S226 PolarHBondContact O-OG 2.66Å; T222-S226 VanDerWaalsContact O-OG 3.08Å; T222-T352 HydrophobicContact CG2-CG2 3.95Å; T222-I354 HydrophobicContact CG2-CD1 3.93Å; T222-I354 HydrophobicContact CG2-CG1 4.41Å; T222-V690 HydrophobicContact CG2-CG2 4.02Å
223V98.2Very high96.8Very high0 Ų047.9 Ų47.90%022%0.224CC..Hα-helixtrans-56.6-51.4177167.30000111.2L219 K225 S226 L227 V233 I235 L250 W254 L261 V325 I354L219-V223 HydrophobicContact CD1-CG2 3.93Å; L219-V223 WeakPolarHBondContact O-CB 3.49Å; L219-V223 VanDerWaalsContact O-CG2 3.31Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.97Å; V223-S226 PolarHBondContact O-N 3.25Å; V223-L227 HydrophobicContact CG1-CD1 3.6Å; V223-L227 HydrophobicContact CG1-CG 4.31Å; V223-L227 VanDerWaalsContact O-CG 3.27Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.31Å; V223-V233 HydrophobicContact CG2-CG1 4.32Å; V223-I235 HydrophobicContact CG2-CD1 4.48Å; V223-L250 HydrophobicContact CG2-CD2 4.49Å; V223-W254 HydrophobicContact CG1-CH2 3.96Å; V223-W254 HydrophobicContact CG1-CZ3 4.31Å; V223-L261 HydrophobicContact CG1-CD2 4.1Å; V223-V325 HydrophobicContact CG1-CG2 3.6Å; V223-I354 HydrophobicContact CG2-CD1 4.06Å
224L96.9Very high97.1Very high14 Ų1439.8 Ų39.87%0.07319%0.189CC..Hα-helixtrans-64.7-37.6-177.8-176.262.8000112.5R220 Q221 T222 R228 L261R220-L224 VanDerWaalsContact O-CB 3.25Å; R220-L224 WeakPolarHBondContact O-CB 3.43Å; R220-L224 PolarHBondContact O-N 2.81Å; Q221-L224 PolarHBondContact O-N 2.82Å; T222-L224 PolarHBondContact O-N 3.17Å; L224-R228 HydrophobicContact CD1-CG 4.26Å; L224-R228 WeakPolarHBondContact O-CB 3.36Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.19Å; L224-R228 PolarHBondContact O-N 3.12Å; L224-R228 VanDerWaalsContact O-N 3.07Å; L224-L261 HydrophobicContact CB-CD2 4.24Å; L224-L261 HydrophobicContact CD1-CD2 3.76Å; L224-L261 HydrophobicContact CD1-CG 4.29Å
225K97.1Very high97.2Very high100 Ų10037.1 Ų37.144%0.43518%0.175SC..Hα-helixtrans-59.8-46.9176.4176.9-163.9172.5-152.50110.6Q221 T222 V223 R229 E688Q221-K225 WeakPolarHBondContact O-CB 3.45Å; Q221-K225 PolarHBondContact O-N 2.83Å; T222-K225 PolarHBondContact O-N 3.4Å; V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.97Å; K225-R229 WeakPolarHBondContact O-CG 3.22Å; K225-R229 PolarHBondContact O-N 3.48Å; K225-E688 IonicContact NZ-OE1 2.73Å; K225-E688 PolarHBondContact NZ-OE1 2.83Å; K225-E688 IonicContact NZ-OE2 2.88Å; K225-E688 PolarHBondContact NZ-OE2 3.29Å
226S97.4Very high97.3Very high0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-70.9-45.5-177.5-51.80000112.1T222 V223 R228 R229 G230 G231 T352T222-S226 PolarHBondContact O-N 2.89Å; T222-S226 VanDerWaalsContact O-N 3.11Å; T222-S226 PolarHBondContact O-OG 2.66Å; T222-S226 VanDerWaalsContact O-OG 3.08Å; V223-S226 PolarHBondContact O-N 3.25Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.02Å; S226-R229 WeakPolarHBondContact O-CB 3.48Å; S226-R229 PolarHBondContact O-N 2.74Å; S226-G230 PolarHBondContact O-N 2.89Å; S226-G231 PolarHBondContact O-N 3.48Å; S226-G231 VanDerWaalsContact O-N 3.11Å; S226-T352 WeakPolarHBondContact CB-OG1 2.98Å; S226-T352 WeakPolarHBondContact OG-CB 3.39Å; S226-T352 PolarHBondContact OG-OG1 3.24Å
227L97.9Very high97.3Very high2 Ų236.5 Ų36.51%0.0117%0.172CC..Hα-helixtrans-61.5-38.5178-66.1172000112.4V223 R229 G230 V233 W254 L261 Y264 P323 V325V223-L227 HydrophobicContact CG1-CD1 3.6Å; V223-L227 HydrophobicContact CG1-CG 4.31Å; V223-L227 VanDerWaalsContact O-CG 3.27Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.31Å; L227-R229 PolarHBondContact O-N 2.89Å; L227-G230 PolarHBondContact O-N 3.29Å; L227-V233 HydrophobicContact CD2-CG2 4.47Å; L227-V233 HydrophobicContact CG-CG2 4.46Å; L227-W254 HydrophobicContact CD1-CH2 4.02Å; L227-W254 HydrophobicContact CD1-CZ2 4.26Å; L227-L261 HydrophobicContact CD1-CD2 3.71Å; L227-Y264 HydrophobicContact CB-CD1 4.21Å; L227-Y264 HydrophobicContact CB-CD2 4.01Å; L227-Y264 HydrophobicContact CB-CE1 4.15Å; L227-Y264 HydrophobicContact CB-CE2 3.99Å; L227-Y264 HydrophobicContact CB-CG 4.11Å; L227-Y264 HydrophobicContact CD1-CD2 3.7Å; L227-Y264 HydrophobicContact CD1-CE2 4.38Å; L227-Y264 HydrophobicContact CD1-CG 3.87Å; L227-Y264 HydrophobicContact CD2-CG 4.38Å; L227-Y264 HydrophobicContact CG-CD2 4.41Å; L227-Y264 HydrophobicContact CG-CG 4.35Å; L227-P323 HydrophobicContact CD2-CB 3.87Å; L227-P323 HydrophobicContact CD2-CG 4.24Å; L227-P323 WeakPolarHBondContact O-CG 3.49Å; L227-V325 HydrophobicContact CD1-CG2 3.76Å; L227-V325 HydrophobicContact CD2-CG2 3.99Å; L227-V325 HydrophobicContact CG-CG2 4.21Å
228R96.6Very high97.2Very high172 Ų17234 Ų3465%0.64916%0.161SC*.Hα-helixtrans-64.8-24.7176.3-79177.3175.4177.4-0.6113.7L224 S226L224-R228 HydrophobicContact CD1-CG 4.26Å; L224-R228 WeakPolarHBondContact O-CB 3.36Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.19Å; L224-R228 PolarHBondContact O-N 3.12Å; L224-R228 VanDerWaalsContact O-N 3.07Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.02Å
229R96.7Very high97.2Very high102 Ų10230.3 Ų30.339%0.38514%0.141SC..THydrogen-bonded Turntrans-82.5-3.5174-65.6168.564-145.2-1.7112.4K225 S226 L227 D349 L350K225-R229 WeakPolarHBondContact O-CG 3.22Å; K225-R229 PolarHBondContact O-N 3.48Å; S226-R229 WeakPolarHBondContact O-CB 3.48Å; S226-R229 PolarHBondContact O-N 2.74Å; L227-R229 PolarHBondContact O-N 2.89Å; R229-D349 PolarHBondContact NH1-O 2.88Å; R229-D349 PolarHBondContact NH2-O 3.34Å; R229-L350 HydrophobicContact CB-CD2 4.34Å
230G97Very high97Very high46 Ų4630.2 Ų30.247%0.47414%0.141SC..THydrogen-bonded Turntrans81.513.5-174.100000113.8S226 L227S226-G230 PolarHBondContact O-N 2.89Å; L227-G230 PolarHBondContact O-N 3.29Å
231G97.6Very high96.8Very high0 Ų027.6 Ų27.60%013%0.131CC..  trans-93.1149.5179.500000113.3S226 P323 L350S226-G231 PolarHBondContact O-N 3.48Å; S226-G231 VanDerWaalsContact O-N 3.11Å; G231-P323 WeakPolarHBondContact O-CB 3.42Å; G231-L350 WeakPolarHBondContact CA-O 3.48Å
232N98.5Very high96.7Very high9 Ų923.8 Ų23.85%0.04811%0.112CC..  trans-81152.7172.8-66.7-32.7000111E322 P323 K324 W345 N351 T352N232-E322 PolarHBondContact ND2-OE1 3.17Å; N232-P323 WeakPolarHBondContact OD1-CA 3.45Å; N232-K324 WeakPolarHBondContact CA-O 3.46Å; N232-K324 PolarHBondContact OD1-N 3.07Å; N232-W345 HydrophobicContact CB-CD2 4.13Å; N232-W345 HydrophobicContact CB-CE3 3.84Å; N232-W345 HydrophobicContact CB-CH2 3.77Å; N232-W345 HydrophobicContact CB-CZ2 4.06Å; N232-W345 HydrophobicContact CB-CZ3 3.67Å; N232-N351 PolarHBondContact N-OD1 3.42Å; N232-N351 VanDerWaalsContact O-CA 3.3Å; N232-N351 WeakPolarHBondContact O-CA 3.38Å; N232-T352 PolarHBondContact O-N 3.1Å
233V98.8Very high96.6Very high0 Ų022.8 Ų22.80%011%0.106CC..EExtended strand (participates in β ladder)trans-120.7117.6177.6-174.50000109.9V223 L227 I235 K324 V325 V326 T352 I354V223-V233 HydrophobicContact CG2-CG1 4.32Å; L227-V233 HydrophobicContact CD2-CG2 4.47Å; L227-V233 HydrophobicContact CG-CG2 4.46Å; V233-I235 HydrophobicContact CG1-CG1 4.05Å; V233-K324 PolarHBondContact N-O 3.13Å; V233-V325 HydrophobicContact CB-CB 4.47Å; V233-V325 HydrophobicContact CB-CG1 4.26Å; V233-V325 HydrophobicContact CB-CG2 4.12Å; V233-V325 HydrophobicContact CG1-CG1 4.44Å; V233-V325 HydrophobicContact CG2-CG2 4.4Å; V233-V325 CarbonylContact O-C 3.44Å; V233-V325 WeakPolarHBondContact O-CA 3.36Å; V233-V326 PolarHBondContact O-N 3.39Å; V233-T352 CarbonylContact C-O 3.55Å; V233-T352 VanDerWaalsContact CA-O 3.31Å; V233-T352 WeakPolarHBondContact CA-O 3.39Å; V233-I354 HydrophobicContact CG1-CD1 3.69Å; V233-I354 HydrophobicContact CG1-CG1 3.99Å
234L98.6Very high96.5Very high0 Ų022.8 Ų22.80%011%0.106CC..EExtended strand (participates in β ladder)trans-92129.1167.9176.561.6000108.6S338 L341 F342 W345 T352 I353 I354L234-S338 WeakPolarHBondContact CD2-O 3.38Å; L234-L341 HydrophobicContact CD1-CB 4.06Å; L234-L341 HydrophobicContact CD1-CD1 3.8Å; L234-L341 HydrophobicContact CD2-CB 3.98Å; L234-F342 HydrophobicContact CD2-CB 4.13Å; L234-W345 HydrophobicContact CB-CE3 3.87Å; L234-W345 HydrophobicContact CB-CZ3 3.93Å; L234-T352 PolarHBondContact N-O 2.93Å; L234-I353 HydrophobicContact CB-CD1 3.69Å; L234-I353 HydrophobicContact CD2-CD1 4.02Å; L234-I353 HydrophobicContact CD2-CG2 4.29Å; L234-I353 HydrophobicContact CG-CD1 4.44Å; L234-I354 PolarHBondContact O-N 3.02Å
235I98.4Very high96.5Very high0 Ų022.1 Ų22.10%010%0.102CC..EExtended strand (participates in β ladder)trans-116.1106.7170.1-48.8-178.7000107.4L219 V223 V233 V237 V246 L250 V325 V326 L327 S328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.23Å; V223-I235 HydrophobicContact CG2-CD1 4.48Å; V233-I235 HydrophobicContact CG1-CG1 4.05Å; I235-V237 HydrophobicContact CG2-CG1 3.87Å; I235-V237 PolarHBondContact O-N 3.06Å; I235-V246 HydrophobicContact CD1-CG1 4.5Å; I235-V246 HydrophobicContact CG2-CG1 4.33Å; I235-L250 HydrophobicContact CD1-CD1 3.66Å; I235-V325 HydrophobicContact CD1-CG1 3.63Å; I235-V325 HydrophobicContact CG1-CG1 4.05Å; I235-V326 PolarHBondContact N-O 3.44Å; I235-L327 HydrophobicContact CD1-CD1 4.44Å; I235-L327 WeakPolarHBondContact O-CA 3.3Å; I235-S328 PolarHBondContact O-N 3.1Å; I235-I354 WeakPolarHBondContact CA-O 3.2Å; I235-I354 HydrophobicContact CG1-CB 4.19Å; I235-I354 HydrophobicContact CG1-CD1 4.29Å; I235-I354 HydrophobicContact CG2-CB 4.3Å; I235-I354 HydrophobicContact CG2-CG2 4.3Å; I235-T356 HydrophobicContact CG2-CG2 3.53Å
236A96.8Very high96.5Very high0 Ų017.4 Ų17.40%08%0.082CC..EExtended strand (participates in β ladder)trans-75.7114.5177.900000108.7L333 I354 L355 T356A236-L333 HydrophobicContact CB-CD1 4.36Å; A236-I354 PolarHBondContact N-O 3.43Å; A236-L355 HydrophobicContact CB-CD2 4.27Å; A236-T356 WeakPolarHBondContact O-CG2 3.48Å; A236-T356 PolarHBondContact O-OG1 2.91Å
237V96Very high96.5Very high2 Ų217.4 Ų17.41%0.0128%0.082CC..  trans-128.9169.9-177.9-65.10000110.2I235 C243 V246 L327 S328 S329 L330 S331 T356I235-V237 HydrophobicContact CG2-CG1 3.87Å; I235-V237 PolarHBondContact O-N 3.06Å; V237-C243 HydrophobicContact CB-CB 3.9Å; V237-C243 HydrophobicContact CG2-CB 3.71Å; V237-V246 HydrophobicContact CG1-CG2 4.35Å; V237-L327 HydrophobicContact CG2-CB 3.96Å; V237-S328 WeakPolarHBondContact CG2-O 3.09Å; V237-S328 PolarHBondContact N-O 2.95Å; V237-S328 VanDerWaalsContact O-O 3.11Å; V237-S329 CarbonylContact O-C 3.44Å; V237-S329 WeakPolarHBondContact O-CA 3.48Å; V237-L330 CarbonylContact O-C 3.52Å; V237-L330 PolarHBondContact O-N 3.28Å; V237-S331 PolarHBondContact O-N 2.79Å; V237-S331 VanDerWaalsContact O-N 3.1Å; V237-T356 HydrophobicContact CG1-CG2 4.16Å
238D94.2Very high96.4Very high13 Ų1318 Ų187%0.079%0.085CC..  trans-78.8175.317071.2-41.6000111.6F98 G241 R242 C243F98-D238 HydrophobicContact CE2-CB 3.87Å; F98-D238 HydrophobicContact CZ-CB 4.05Å; D238-G241 WeakPolarHBondContact OD2-CA 3.42Å; D238-G241 PolarHBondContact OD2-N 3.08Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.23Å; D238-R242 WeakPolarHBondContact OD1-CB 3.38Å; D238-R242 PolarHBondContact OD1-N 2.99Å; D238-R242 PolarHBondContact OD2-N 2.66Å; D238-C243 WeakPolarHBondContact O-CB 3.28Å; D238-C243 PolarHBondContact OD1-N 3.12Å
239T94.9Very high96.4Very high0 Ų010.4 Ų10.40%06%0.056CC..SBendtrans-76.2-45.2-174.2-53.80000112.8D101 C243 V272 V276D101-T239 HydrophobicContact CB-CG2 3.53Å; D101-T239 VanDerWaalsContact OD2-CG2 3.29Å; D101-T239 WeakPolarHBondContact OD2-CG2 3.44Å; D101-T239 PolarHBondContact OD2-OG1 3.17Å; T239-C243 VanDerWaalsContact C-SG 3.55Å; T239-C243 PolarHBondContact O-SG 2.91Å; T239-V272 HydrophobicContact CG2-CG2 3.81Å; T239-V276 HydrophobicContact CG2-CG2 4.32Å
240A93.8Very high96.5Very high0 Ų05.6 Ų5.60%04%0.038CC..SBendtrans-1448.5-164.900000116.3M94 V276M94-A240 HydrophobicContact CB-CB 3.84Å; M94-A240 HydrophobicContact CG-CB 4.33Å; M94-A240 HydrophobicContact SD-CB 3.94Å; A240-V276 HydrophobicContact CB-CG1 3.95Å; A240-V276 HydrophobicContact CB-CG2 3.91Å
241G93.5Very high96.4Very high0 Ų03.6 Ų3.60%02%0.017CC..SBendtrans-110.8-89.8178.800000112.1D238 C243 L244D238-G241 WeakPolarHBondContact OD2-CA 3.42Å; D238-G241 PolarHBondContact OD2-N 3.08Å; G241-C243 VanDerWaalsContact C-N 3.31Å; G241-C243 PolarHBondContact O-N 3.48Å; G241-L244 PolarHBondContact O-N 2.89Å
242R94.1Very high96.3Very high18 Ų187 Ų77%0.0683%0.032CC..THydrogen-bonded Turntrans-70.8-25.2-173.8-57.7-54.7-56.4152.23.1113H154 E181 D238 L244 E245 V246 Y694 E695H154-R242 WeakPolarHBondContact O-CD 3.49Å; H154-R242 PolarHBondContact O-NH1 3.29Å; E181-R242 VanDerWaalsContact CD-NH2 3.27Å; E181-R242 IonicContact OE1-CZ 2.81Å; E181-R242 IonicContact OE1-NH1 2.68Å; E181-R242 IonicContact OE1-NH2 3.36Å; E181-R242 PolarHBondContact OE1-NH2 2.78Å; E181-R242 IonicContact OE2-CZ 2.78Å; E181-R242 VanDerWaalsContact OE2-CZ 3.23Å; E181-R242 IonicContact OE2-NH1 3.02Å; E181-R242 PolarHBondContact OE2-NH1 2.84Å; E181-R242 IonicContact OE2-NH2 3.82Å; E181-R242 PolarHBondContact OE2-NH2 3.26Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.23Å; D238-R242 WeakPolarHBondContact OD1-CB 3.38Å; D238-R242 PolarHBondContact OD1-N 2.99Å; D238-R242 PolarHBondContact OD2-N 2.66Å; R242-L244 PolarHBondContact O-N 3.09Å; R242-L244 VanDerWaalsContact O-N 3.14Å; R242-E245 PolarHBondContact O-N 2.78Å; R242-V246 PolarHBondContact O-N 3.02Å; R242-Y694 VanDerWaalsContact CZ-O 3.29Å; R242-Y694 PolarHBondContact NE-O 3.28Å; R242-Y694 PolarHBondContact NH2-O 3.11Å; R242-E695 WeakPolarHBondContact CD-O 3.19Å; R242-E695 PolarHBondContact NE-O 2.93Å
243C96Very high96.2Very high0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-54-32.5174.770.60000112.2V237 D238 T239 G241 E245 V246 A247 M268V237-C243 HydrophobicContact CB-CB 3.9Å; V237-C243 HydrophobicContact CG2-CB 3.71Å; D238-C243 WeakPolarHBondContact O-CB 3.28Å; D238-C243 PolarHBondContact OD1-N 3.12Å; T239-C243 VanDerWaalsContact C-SG 3.55Å; T239-C243 PolarHBondContact O-SG 2.91Å; G241-C243 VanDerWaalsContact C-N 3.31Å; G241-C243 PolarHBondContact O-N 3.48Å; C243-E245 PolarHBondContact O-N 2.99Å; C243-V246 PolarHBondContact O-N 3.13Å; C243-A247 WeakPolarHBondContact O-CB 3.4Å; C243-A247 PolarHBondContact O-N 3.5Å; C243-M268 HydrophobicContact CB-CE 4Å
244L96.6Very high96.1Very high0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-66.2-36.8178.5-64.2-178.6000112.4M94 L156 G241 R242 H248 V276 A280 F303M94-L244 HydrophobicContact CE-CD1 4.28Å; L156-L244 HydrophobicContact CD2-CD1 4.36Å; G241-L244 PolarHBondContact O-N 2.89Å; R242-L244 PolarHBondContact O-N 3.09Å; R242-L244 VanDerWaalsContact O-N 3.14Å; L244-H248 WeakPolarHBondContact O-CB 2.97Å; L244-H248 PolarHBondContact O-N 2.81Å; L244-V276 HydrophobicContact CD2-CG1 4.17Å; L244-A280 HydrophobicContact CD1-CB 4.03Å; L244-A280 HydrophobicContact CD2-CB 4Å; L244-F303 HydrophobicContact CB-CE1 3.73Å; L244-F303 HydrophobicContact CB-CZ 4.15Å; L244-F303 HydrophobicContact CD2-CD1 4.05Å; L244-F303 HydrophobicContact CD2-CE1 3.85Å; L244-F303 HydrophobicContact CG-CE1 4.25Å
245E96.2Very high95.9Very high0 Ų010.1 Ų10.10%05%0.049CC..Hα-helixtrans-67.9-44.9176.4-177.566.5-175.900110.8R182 H183 R242 C243 F249 Y694R182-E245 WeakPolarHBondContact CB-OE1 3.36Å; R182-E245 WeakPolarHBondContact CB-OE2 3.49Å; R182-E245 WeakPolarHBondContact CG-OE1 3.19Å; R182-E245 PolarHBondContact N-OE1 2.94Å; R182-E245 PolarHBondContact N-OE2 3.16Å; H183-E245 IonicContact CE1-OE2 2.67Å; H183-E245 IonicContact CG-OE2 2.75Å; H183-E245 PolarHBondContact N-OE2 3.14Å; H183-E245 IonicContact ND1-OE2 3.83Å; H183-E245 PolarHBondContact ND1-OE2 3.12Å; R242-E245 PolarHBondContact O-N 2.78Å; C243-E245 PolarHBondContact O-N 2.99Å; E245-F249 WeakPolarHBondContact O-CB 3.4Å; E245-F249 PolarHBondContact O-N 3.19Å; E245-F249 VanDerWaalsContact O-N 3.09Å; E245-Y694 HydrophobicContact CG-CD1 4.37Å
246V97.1Very high95.7Very high1 Ų113.5 Ų13.51%0.0067%0.068CC..Hα-helixtrans-67.5-45.7179.6-177.20000110.5L219 I235 V237 R242 C243 H248 F249 L250 L327 Y694L219-V246 HydrophobicContact CD2-CG1 4.25Å; I235-V246 HydrophobicContact CD1-CG1 4.5Å; I235-V246 HydrophobicContact CG2-CG1 4.33Å; V237-V246 HydrophobicContact CG1-CG2 4.35Å; R242-V246 PolarHBondContact O-N 3.02Å; C243-V246 PolarHBondContact O-N 3.13Å; V246-H248 PolarHBondContact O-N 3.44Å; V246-F249 PolarHBondContact O-N 2.97Å; V246-L250 HydrophobicContact CG1-CD1 3.82Å; V246-L250 HydrophobicContact CG1-CG 4.41Å; V246-L250 WeakPolarHBondContact O-CG 3.5Å; V246-L250 PolarHBondContact O-N 3Å; V246-L327 HydrophobicContact CB-CD2 4.31Å; V246-L327 HydrophobicContact CG1-CD2 4.06Å; V246-L327 HydrophobicContact CG1-CG 4.5Å; V246-Y694 HydrophobicContact CG2-CD1 3.71Å; V246-Y694 HydrophobicContact CG2-CE1 4.24Å; V246-Y694 HydrophobicContact CG2-CG 3.9Å
247A97.5Very high95.3Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-62.7-45.8-179.600000111.6C243 F249 L250 E251 F305 M308 L327C243-A247 WeakPolarHBondContact O-CB 3.4Å; C243-A247 PolarHBondContact O-N 3.5Å; A247-F249 VanDerWaalsContact C-N 3.31Å; A247-F249 PolarHBondContact O-N 3.41Å; A247-L250 PolarHBondContact O-N 3.06Å; A247-E251 WeakPolarHBondContact O-CB 3.49Å; A247-E251 PolarHBondContact O-N 2.86Å; A247-F305 HydrophobicContact CB-CE1 4.44Å; A247-F305 HydrophobicContact CB-CE2 4.27Å; A247-F305 HydrophobicContact CB-CZ 3.72Å; A247-M308 HydrophobicContact CB-CE 3.73Å; A247-M308 HydrophobicContact CB-SD 3.85Å; A247-L327 HydrophobicContact CB-CD2 3.81Å
248H95.9Very high95.2Very high15 Ų1528.8 Ų28.87%0.06914%0.139CC..Hα-helixtrans-62.1-39.5176.8-17949.2000112.2L244 V246 Q252 P302 F303L244-H248 WeakPolarHBondContact O-CB 2.97Å; L244-H248 PolarHBondContact O-N 2.81Å; V246-H248 PolarHBondContact O-N 3.44Å; H248-Q252 PolarHBondContact CE1-NE2 3.44Å; H248-Q252 PolarHBondContact NE2-NE2 2.94Å; H248-Q252 WeakPolarHBondContact O-CG 3.2Å; H248-Q252 PolarHBondContact O-N 3.43Å; H248-P302 WeakPolarHBondContact CE1-CB 3.39Å; H248-P302 WeakPolarHBondContact ND1-CB 3.27Å; H248-P302 PolarHBondContact ND1-O 3.28Å; H248-F303 HydrophobicContact CB-CE1 4.28Å
249F96.7Very high95Very high12 Ų1228.5 Ų28.55%0.05314%0.138CC..Hα-helixtrans-65.2-46.2176171.5-116.4000112.7R182 D216 L219 R220 E245 V246 A247 Q252 C253R182-F249 VanDerWaalsContact NH2-CD2 3.27Å; D216-F249 HydrophobicContact CB-CD2 4.35Å; D216-F249 HydrophobicContact CB-CE1 4.24Å; D216-F249 HydrophobicContact CB-CE2 3.75Å; D216-F249 HydrophobicContact CB-CZ 3.68Å; D216-F249 WeakPolarHBondContact O-CE1 2.98Å; D216-F249 WeakPolarHBondContact O-CZ 3.25Å; L219-F249 HydrophobicContact CB-CE1 4.09Å; L219-F249 HydrophobicContact CD2-CD1 3.64Å; L219-F249 HydrophobicContact CD2-CE1 3.74Å; L219-F249 HydrophobicContact CG-CD1 4.38Å; L219-F249 HydrophobicContact CG-CE1 4Å; R220-F249 HydrophobicContact CB-CE1 4.48Å; R220-F249 HydrophobicContact CB-CZ 4.1Å; E245-F249 WeakPolarHBondContact O-CB 3.4Å; E245-F249 PolarHBondContact O-N 3.19Å; E245-F249 VanDerWaalsContact O-N 3.09Å; V246-F249 PolarHBondContact O-N 2.97Å; A247-F249 VanDerWaalsContact C-N 3.31Å; A247-F249 PolarHBondContact O-N 3.41Å; F249-Q252 WeakPolarHBondContact O-CB 3.43Å; F249-Q252 PolarHBondContact O-N 3.43Å; F249-C253 WeakPolarHBondContact CE2-SG 3.26Å; F249-C253 WeakPolarHBondContact CZ-SG 3.49Å; F249-C253 PolarHBondContact O-N 3.22Å; F249-C253 PolarHBondContact O-SG 2.91Å
250L97.7Very high94.9Very high1 Ų130.4 Ų30.41%0.00516%0.158CC..Hα-helixtrans-67.5-41.7-179-69.8170.6000111.5L219 V223 I235 V246 A247 Q252 C253 W254 L266 V325 L327L219-L250 HydrophobicContact CD2-CD2 4.46Å; V223-L250 HydrophobicContact CG2-CD2 4.49Å; I235-L250 HydrophobicContact CD1-CD1 3.66Å; V246-L250 HydrophobicContact CG1-CD1 3.82Å; V246-L250 HydrophobicContact CG1-CG 4.41Å; V246-L250 WeakPolarHBondContact O-CG 3.5Å; V246-L250 PolarHBondContact O-N 3Å; A247-L250 PolarHBondContact O-N 3.06Å; L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 2.82Å; L250-C253 WeakPolarHBondContact O-CA 3.27Å; L250-C253 WeakPolarHBondContact O-CB 3.48Å; L250-C253 PolarHBondContact O-N 2.75Å; L250-W254 HydrophobicContact CD2-CZ3 4.16Å; L250-W254 PolarHBondContact O-N 3.04Å; L250-L266 HydrophobicContact CB-CD1 4.31Å; L250-L266 HydrophobicContact CB-CD2 4.28Å; L250-L266 HydrophobicContact CD1-CD1 4.35Å; L250-V325 HydrophobicContact CD1-CG1 4.44Å; L250-L327 HydrophobicContact CD1-CD1 3.67Å; L250-L327 HydrophobicContact CD1-CD2 4.44Å; L250-L327 HydrophobicContact CD1-CG 4.38Å
251E96.4Very high94.9Very high4 Ų430.5 Ų30.52%0.01916%0.158CC..Hα-helixtrans-56.4-43.6173.4-179.469.1-166.200111.1A247 C253 W254 L255 F305 R306 H307 M308A247-E251 WeakPolarHBondContact O-CB 3.49Å; A247-E251 PolarHBondContact O-N 2.86Å; E251-C253 VanDerWaalsContact C-N 3.29Å; E251-C253 PolarHBondContact O-N 3.39Å; E251-W254 PolarHBondContact O-N 3.24Å; E251-L255 HydrophobicContact CG-CD1 4.11Å; E251-L255 HydrophobicContact CG-CG 4.45Å; E251-L255 WeakPolarHBondContact O-CB 3.44Å; E251-L255 VanDerWaalsContact O-CG 3.3Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.83Å; E251-F305 HydrophobicContact CB-CD1 3.94Å; E251-F305 HydrophobicContact CB-CE1 4.27Å; E251-F305 HydrophobicContact CG-CD1 3.82Å; E251-R306 PolarHBondContact OE1-N 3.1Å; E251-H307 IonicContact OE1-CD2 3.77Å; E251-H307 PolarHBondContact OE1-N 2.75Å; E251-H307 PolarHBondContact OE2-N 3.44Å; E251-M308 PolarHBondContact OE2-N 3.18Å; E251-M308 VanDerWaalsContact OE2-N 3.15Å
252Q94.7Very high94.9Very high71 Ų7134.8 Ų34.833%0.33218%0.179SC..Hα-helixtrans-62.2-36.7175.3-76.5177.7-2000112.8H248 F249 L250 N256H248-Q252 PolarHBondContact CE1-NE2 3.44Å; H248-Q252 PolarHBondContact NE2-NE2 2.94Å; H248-Q252 WeakPolarHBondContact O-CG 3.2Å; H248-Q252 PolarHBondContact O-N 3.43Å; F249-Q252 WeakPolarHBondContact O-CB 3.43Å; F249-Q252 PolarHBondContact O-N 3.43Å; L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 2.82Å; Q252-N256 PolarHBondContact O-N 2.99Å
253C96.5Very high94.9Very high9 Ų937.9 Ų37.96%0.06121%0.208CC..Hα-helixtrans-66.9-40.5175.6-66.30000111.7F249 L250 E251 N256 S259 L261F249-C253 WeakPolarHBondContact CE2-SG 3.26Å; F249-C253 WeakPolarHBondContact CZ-SG 3.49Å; F249-C253 PolarHBondContact O-N 3.22Å; F249-C253 PolarHBondContact O-SG 2.91Å; L250-C253 WeakPolarHBondContact O-CA 3.27Å; L250-C253 WeakPolarHBondContact O-CB 3.48Å; L250-C253 PolarHBondContact O-N 2.75Å; E251-C253 VanDerWaalsContact C-N 3.29Å; E251-C253 PolarHBondContact O-N 3.39Å; C253-N256 PolarHBondContact O-N 2.96Å; C253-S259 WeakPolarHBondContact O-CB 3.33Å; C253-S259 PolarHBondContact O-OG 2.8Å; C253-L261 HydrophobicContact CB-CD1 3.75Å
254W96.6Very high94.9Very high2 Ų240.3 Ų40.31%0.00822%0.218CC..Hα-helixtrans-67.3-38.2175.7-101.1-111.1000112.2V223 L227 L250 E251 N256 L261 M262 Y264 L266 H307 V325V223-W254 HydrophobicContact CG1-CH2 3.96Å; V223-W254 HydrophobicContact CG1-CZ3 4.31Å; L227-W254 HydrophobicContact CD1-CH2 4.02Å; L227-W254 HydrophobicContact CD1-CZ2 4.26Å; L250-W254 HydrophobicContact CD2-CZ3 4.16Å; L250-W254 PolarHBondContact O-N 3.04Å; E251-W254 PolarHBondContact O-N 3.24Å; W254-N256 PolarHBondContact O-N 2.68Å; W254-L261 HydrophobicContact CD2-CB 3.72Å; W254-L261 HydrophobicContact CE3-CB 3.71Å; W254-L261 HydrophobicContact CE3-CD1 3.84Å; W254-L261 HydrophobicContact CE3-CG 4.26Å; W254-L261 HydrophobicContact CG-CB 4.35Å; W254-L261 HydrophobicContact CH2-CB 4.05Å; W254-L261 HydrophobicContact CH2-CD1 4.29Å; W254-L261 HydrophobicContact CH2-CD2 3.79Å; W254-L261 HydrophobicContact CH2-CG 4.25Å; W254-L261 HydrophobicContact CZ2-CB 4.07Å; W254-L261 HydrophobicContact CZ2-CD2 4.33Å; W254-L261 HydrophobicContact CZ3-CB 3.89Å; W254-L261 HydrophobicContact CZ3-CD1 3.62Å; W254-L261 HydrophobicContact CZ3-CD2 4Å; W254-L261 HydrophobicContact CZ3-CG 4.03Å; W254-L261 PolarHBondContact NE1-O 3.06Å; W254-L261 VanDerWaalsContact NE1-O 3.08Å; W254-M262 WeakPolarHBondContact O-CG 2.99Å; W254-Y264 PolarHBondContact NE1-O 3.13Å; W254-L266 HydrophobicContact CD2-CB 4.31Å; W254-L266 HydrophobicContact CD2-CD2 3.86Å; W254-L266 HydrophobicContact CE3-CD2 4.07Å; W254-L266 HydrophobicContact CG-CD2 4.06Å; W254-L266 HydrophobicContact CH2-CD1 4.46Å; W254-L266 HydrophobicContact CZ2-CB 4.1Å; W254-H307 HydrophobicContact CB-CB 3.84Å; W254-H307 AromaticContact CD1-CG 3.9Å; W254-H307 HydrophobicContact CG-CB 4.01Å; W254-V325 HydrophobicContact CH2-CB 4.35Å; W254-V325 HydrophobicContact CH2-CG2 3.66Å; W254-V325 HydrophobicContact CZ2-CG2 4.2Å
255L94.3Very high95Very high64 Ų6440.6 Ų40.634%0.33522%0.221SC..Hα-helixtrans-67.9-23.5175.6-71.5174.9000113.4E251 Q257E251-L255 HydrophobicContact CG-CD1 4.11Å; E251-L255 HydrophobicContact CG-CG 4.45Å; E251-L255 WeakPolarHBondContact O-CB 3.44Å; E251-L255 VanDerWaalsContact O-CG 3.3Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.83Å; L255-Q257 PolarHBondContact O-N 3.13Å
256N94.2Very high95.1Very high72 Ų7240.7 Ų40.739%0.38522%0.222SC..  trans-86.2108.7177.4-176.412.4000111.2Q252 C253 W254 E258 S259Q252-N256 PolarHBondContact O-N 2.99Å; C253-N256 PolarHBondContact O-N 2.96Å; W254-N256 PolarHBondContact O-N 2.68Å; N256-E258 PolarHBondContact O-N 3.49Å; N256-E258 VanDerWaalsContact O-N 3.17Å; N256-E258 PolarHBondContact OD1-N 3.05Å; N256-E258 VanDerWaalsContact OD1-N 3.14Å; N256-S259 VanDerWaalsContact O-CB 3.27Å; N256-S259 WeakPolarHBondContact O-CB 3.49Å; N256-S259 PolarHBondContact O-N 2.99Å; N256-S259 PolarHBondContact O-OG 3.38Å
257Q89.5Confident95.1Very high144 Ų14440.7 Ų40.767%0.67322%0.221SC*.G310 helixtrans-55-33.2177.3-73.6178.9-19.700113.3L255 S259 G260 M262L255-Q257 PolarHBondContact O-N 3.13Å; Q257-S259 PolarHBondContact O-N 2.9Å; Q257-G260 PolarHBondContact O-N 2.79Å; Q257-M262 HydrophobicContact CG-SD 3.65Å
258E92Very high95.2Very high179 Ų17940.7 Ų40.784%0.83622%0.222SC*.G310 helixtrans-67.8-18.2179.8-62.2-178.8174.200112.8N256 G260N256-E258 PolarHBondContact O-N 3.49Å; N256-E258 VanDerWaalsContact O-N 3.17Å; N256-E258 PolarHBondContact OD1-N 3.05Å; N256-E258 VanDerWaalsContact OD1-N 3.14Å; E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.25Å
259S91.4Very high95.3Very high7 Ų740 Ų405%0.04922%0.218CC..G310 helixtrans-71.9-24.7177.3-50.60000112.9C253 N256 Q257 L261C253-S259 WeakPolarHBondContact O-CB 3.33Å; C253-S259 PolarHBondContact O-OG 2.8Å; N256-S259 VanDerWaalsContact O-CB 3.27Å; N256-S259 WeakPolarHBondContact O-CB 3.49Å; N256-S259 PolarHBondContact O-N 2.99Å; N256-S259 PolarHBondContact O-OG 3.38Å; Q257-S259 PolarHBondContact O-N 2.9Å; S259-L261 PolarHBondContact O-N 2.92Å
260G91.6Very high95.2Very high40 Ų4039.5 Ų39.541%0.41222%0.216SC..  trans69.215.7-174.700000114.9Q257 E258Q257-G260 PolarHBondContact O-N 2.79Å; E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.25Å
261L95.4Very high95.1Very high2 Ų241.2 Ų41.21%0.0122%0.223CC..  trans-92.5-18.1-174.1-69.9164.2000114R220 V223 L224 L227 C253 W254 S259 A263 Y264R220-L261 HydrophobicContact CG-CD1 4.39Å; V223-L261 HydrophobicContact CG1-CD2 4.1Å; L224-L261 HydrophobicContact CB-CD2 4.24Å; L224-L261 HydrophobicContact CD1-CD2 3.76Å; L224-L261 HydrophobicContact CD1-CG 4.29Å; L227-L261 HydrophobicContact CD1-CD2 3.71Å; C253-L261 HydrophobicContact CB-CD1 3.75Å; W254-L261 HydrophobicContact CD2-CB 3.72Å; W254-L261 HydrophobicContact CE3-CB 3.71Å; W254-L261 HydrophobicContact CE3-CD1 3.84Å; W254-L261 HydrophobicContact CE3-CG 4.26Å; W254-L261 HydrophobicContact CG-CB 4.35Å; W254-L261 HydrophobicContact CH2-CB 4.05Å; W254-L261 HydrophobicContact CH2-CD1 4.29Å; W254-L261 HydrophobicContact CH2-CD2 3.79Å; W254-L261 HydrophobicContact CH2-CG 4.25Å; W254-L261 HydrophobicContact CZ2-CB 4.07Å; W254-L261 HydrophobicContact CZ2-CD2 4.33Å; W254-L261 HydrophobicContact CZ3-CB 3.89Å; W254-L261 HydrophobicContact CZ3-CD1 3.62Å; W254-L261 HydrophobicContact CZ3-CD2 4Å; W254-L261 HydrophobicContact CZ3-CG 4.03Å; W254-L261 PolarHBondContact NE1-O 3.06Å; W254-L261 VanDerWaalsContact NE1-O 3.08Å; S259-L261 PolarHBondContact O-N 2.92Å; L261-A263 PolarHBondContact O-N 3.23Å; L261-Y264 HydrophobicContact CD2-CD2 4.29Å; L261-Y264 PolarHBondContact O-N 3.39Å
262M93.7Very high95.1Very high89 Ų8941.1 Ų41.144%0.43822%0.223SC..THydrogen-bonded Turntrans-54.6-22.3-177.7-72.1-175.577.700115.1W254 Q257 Y264W254-M262 WeakPolarHBondContact O-CG 2.99Å; Q257-M262 HydrophobicContact CG-SD 3.65Å; M262-Y264 VanDerWaalsContact C-N 3.29Å
263A92.6Very high95.2Very high83 Ų8337.8 Ų37.869%0.68621%0.207SC*.THydrogen-bonded Turntrans-79.6-9.6-178.700000113.8L261L261-A263 PolarHBondContact O-N 3.23Å
264Y97.4Very high95.2Very high52 Ų5240.6 Ų40.620%0.20422%0.221CC..SBendtrans-111.9152.8-172.2-55.1-64.2000112L227 W254 L261 M262 P323L227-Y264 HydrophobicContact CB-CD1 4.21Å; L227-Y264 HydrophobicContact CB-CD2 4.01Å; L227-Y264 HydrophobicContact CB-CE1 4.15Å; L227-Y264 HydrophobicContact CB-CE2 3.99Å; L227-Y264 HydrophobicContact CB-CG 4.11Å; L227-Y264 HydrophobicContact CD1-CD2 3.7Å; L227-Y264 HydrophobicContact CD1-CE2 4.38Å; L227-Y264 HydrophobicContact CD1-CG 3.87Å; L227-Y264 HydrophobicContact CD2-CG 4.38Å; L227-Y264 HydrophobicContact CG-CD2 4.41Å; L227-Y264 HydrophobicContact CG-CG 4.35Å; W254-Y264 PolarHBondContact NE1-O 3.13Å; L261-Y264 HydrophobicContact CD2-CD2 4.29Å; L261-Y264 PolarHBondContact O-N 3.39Å; M262-Y264 VanDerWaalsContact C-N 3.29Å; Y264-P323 HydrophobicContact CD1-CG 3.52Å; Y264-P323 HydrophobicContact CE1-CG 3.67Å
265G97.3Very high95.2Very high6 Ų642 Ų426%0.06223%0.228CC..EExtended strand (participates in β ladder)trans-67.7140175.600000112.3P323 K324 V325G265-P323 PolarHBondContact N-O 3.25Å; G265-K324 CarbonylContact O-C 3.53Å; G265-K324 VanDerWaalsContact O-CA 3.31Å; G265-K324 WeakPolarHBondContact O-CA 3.26Å; G265-V325 PolarHBondContact O-N 2.91Å
266L98.2Very high95.4Very high2 Ų238.9 Ų38.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-131.1122.9172.3178.862000108.3L250 W254 M308 Q309 V325 L327L250-L266 HydrophobicContact CB-CD1 4.31Å; L250-L266 HydrophobicContact CB-CD2 4.28Å; L250-L266 HydrophobicContact CD1-CD1 4.35Å; W254-L266 HydrophobicContact CD2-CB 4.31Å; W254-L266 HydrophobicContact CD2-CD2 3.86Å; W254-L266 HydrophobicContact CE3-CD2 4.07Å; W254-L266 HydrophobicContact CG-CD2 4.06Å; W254-L266 HydrophobicContact CH2-CD1 4.46Å; W254-L266 HydrophobicContact CZ2-CB 4.1Å; L266-M308 HydrophobicContact CD1-CE 4.28Å; L266-M308 HydrophobicContact CD2-CB 4.21Å; L266-M308 HydrophobicContact CD2-CE 3.72Å; L266-M308 HydrophobicContact CG-CB 4.27Å; L266-M308 HydrophobicContact CG-CE 3.98Å; L266-M308 HydrophobicContact CG-CG 4.24Å; L266-M308 WeakPolarHBondContact O-CA 3.43Å; L266-Q309 PolarHBondContact O-N 2.7Å; L266-V325 WeakPolarHBondContact CA-O 3.47Å; L266-V325 HydrophobicContact CD1-CB 3.94Å; L266-V325 HydrophobicContact CD1-CG1 4.15Å; L266-L327 HydrophobicContact CD1-CD1 4.08Å
267A98.4Very high95.5Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-135.3151.8-177.100000112.6Q309 L317 V320 V325 V326 L327A267-Q309 CarbonylContact C-O 3.59Å; A267-Q309 WeakPolarHBondContact CA-O 3.3Å; A267-L317 HydrophobicContact CB-CD1 3.71Å; A267-V320 HydrophobicContact CB-CG2 4.23Å; A267-V325 PolarHBondContact N-O 3.5Å; A267-V326 HydrophobicContact CB-CG2 4.44Å; A267-V326 WeakPolarHBondContact O-CA 3.47Å; A267-L327 PolarHBondContact O-N 2.82Å
268M98.3Very high95.9Very high1 Ų131.1 Ų31.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-118.2120.1167.7-172.9-177.9-168.600108C243 A273 V277 M308 Q309 L310 C311 L327C243-M268 HydrophobicContact CB-CE 4Å; M268-A273 HydrophobicContact CG-CB 4.5Å; M268-V277 HydrophobicContact SD-CG2 4.16Å; M268-M308 HydrophobicContact CB-CG 4.15Å; M268-M308 HydrophobicContact CB-SD 3.9Å; M268-Q309 PolarHBondContact N-O 3.27Å; M268-L310 HydrophobicContact CB-CD2 3.96Å; M268-L310 HydrophobicContact SD-CD2 4.3Å; M268-C311 PolarHBondContact O-N 2.9Å; M268-L327 CarbonylContact C-O 3.46Å; M268-L327 WeakPolarHBondContact CA-O 3.32Å; M268-L327 HydrophobicContact CG-CB 4.35Å
269L97.9Very high96.1Very high0 Ų023.7 Ų23.70%014%0.14CC..EExtended strand (participates in β ladder)trans-116.4107.2-175.5177.562.7000110.8C311 L314 L317 V326 L327 S328 S329 F337 L341L269-C311 WeakPolarHBondContact CA-O 3.38Å; L269-C311 HydrophobicContact CD1-CB 3.87Å; L269-L314 HydrophobicContact CD2-CD2 3.89Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; L269-V326 HydrophobicContact CB-CG1 3.88Å; L269-L327 PolarHBondContact N-O 3.25Å; L269-S328 WeakPolarHBondContact O-CA 3.45Å; L269-S329 PolarHBondContact O-N 3.35Å; L269-F337 HydrophobicContact CD1-CD1 4.37Å; L269-F337 HydrophobicContact CD1-CD2 4.02Å; L269-F337 HydrophobicContact CD1-CE1 4.38Å; L269-F337 HydrophobicContact CD1-CE2 4Å; L269-F337 HydrophobicContact CD1-CG 4.19Å; L269-F337 HydrophobicContact CD1-CZ 4.18Å; L269-F337 HydrophobicContact CD2-CB 3.62Å; L269-F337 HydrophobicContact CD2-CD1 3.79Å; L269-F337 HydrophobicContact CD2-CD2 4.2Å; L269-F337 HydrophobicContact CD2-CE1 4.49Å; L269-F337 HydrophobicContact CD2-CG 3.62Å; L269-F337 HydrophobicContact CG-CB 3.86Å; L269-F337 HydrophobicContact CG-CD1 4.15Å; L269-F337 HydrophobicContact CG-CD2 3.69Å; L269-F337 HydrophobicContact CG-CE2 4.2Å; L269-F337 HydrophobicContact CG-CG 3.64Å; L269-L341 HydrophobicContact CD2-CD1 3.99Å
270N95.5Very high96.3Very high2 Ų223.3 Ų23.31%0.01114%0.138CC..SBendtrans-159.3163.9166.668.164.7000109.5V272 A273 C311 H312 S329N270-V272 PolarHBondContact O-N 3.41Å; N270-V272 VanDerWaalsContact O-N 3.13Å; N270-V272 WeakPolarHBondContact OD1-CA 3.37Å; N270-V272 PolarHBondContact OD1-N 3.36Å; N270-A273 WeakPolarHBondContact OD1-CA 3.42Å; N270-A273 WeakPolarHBondContact OD1-CB 3.28Å; N270-A273 PolarHBondContact OD1-N 2.63Å; N270-C311 PolarHBondContact N-O 3.13Å; N270-C311 VanDerWaalsContact O-O 3.11Å; N270-H312 PolarHBondContact O-ND1 3.1Å; N270-S329 VanDerWaalsContact CB-OG 3.32Å; N270-S329 WeakPolarHBondContact CB-OG 3.21Å
271Y95.9Very high96.5Very high37 Ų3724.1 Ų24.115%0.14513%0.13CC..THydrogen-bonded Turntrans-65.1-22-172.6-68.8-74.5000113.1D101 Q104 H312 F337D101-Y271 WeakPolarHBondContact OD1-CB 3.44Å; D101-Y271 VanDerWaalsContact OD1-CD2 3.31Å; D101-Y271 WeakPolarHBondContact OD1-CD2 3.34Å; D101-Y271 PolarHBondContact OD1-N 3.04Å; Q104-Y271 HydrophobicContact CB-CD1 4.4Å; Q104-Y271 HydrophobicContact CB-CD2 3.66Å; Q104-Y271 HydrophobicContact CB-CE2 3.95Å; Q104-Y271 HydrophobicContact CB-CG 3.91Å; Q104-Y271 HydrophobicContact CG-CD1 3.53Å; Q104-Y271 HydrophobicContact CG-CD2 3.63Å; Q104-Y271 HydrophobicContact CG-CE1 3.59Å; Q104-Y271 HydrophobicContact CG-CE2 3.7Å; Q104-Y271 HydrophobicContact CG-CG 3.55Å; Y271-H312 PolarHBondContact O-ND1 3.28Å; Y271-F337 AromaticContact CD1-CE2 3.94Å; Y271-F337 HydrophobicContact CD1-CE2 3.94Å; Y271-F337 HydrophobicContact CD1-CZ 4.02Å; Y271-F337 AromaticContact CD2-CE2 3.84Å; Y271-F337 HydrophobicContact CD2-CE2 3.84Å; Y271-F337 HydrophobicContact CE1-CE1 4.5Å; Y271-F337 AromaticContact CE1-CE2 3.76Å; Y271-F337 HydrophobicContact CE1-CE2 3.76Å; Y271-F337 AromaticContact CE1-CZ 3.46Å; Y271-F337 HydrophobicContact CE1-CZ 3.46Å; Y271-F337 VanDerWaalsContact CE1-CZ 3.46Å; Y271-F337 HydrophobicContact CE2-CD2 4.25Å; Y271-F337 AromaticContact CE2-CE2 3.63Å; Y271-F337 HydrophobicContact CE2-CE2 3.63Å; Y271-F337 HydrophobicContact CE2-CZ 4.01Å; Y271-F337 AromaticContact CG-CE2 3.99Å; Y271-F337 HydrophobicContact CG-CE2 3.99Å; Y271-F337 AromaticContact CZ-CE2 3.59Å; Y271-F337 AromaticContact CZ-CZ 3.46Å; Y271-F337 VanDerWaalsContact CZ-CZ 3.46Å
272V96.5Very high96.5Very high2 Ų227.7 Ų27.71%0.01216%0.155CC..THydrogen-bonded Turntrans-123.925.2-171.5-64.60000113.2M97 D101 T239 N270 L274 N275 V276 F667M97-V272 HydrophobicContact CB-CG2 4.07Å; M97-V272 HydrophobicContact SD-CB 4.14Å; M97-V272 HydrophobicContact SD-CG1 4.34Å; D101-V272 HydrophobicContact CB-CG2 3.92Å; T239-V272 HydrophobicContact CG2-CG2 3.81Å; N270-V272 PolarHBondContact O-N 3.41Å; N270-V272 VanDerWaalsContact O-N 3.13Å; N270-V272 WeakPolarHBondContact OD1-CA 3.37Å; N270-V272 PolarHBondContact OD1-N 3.36Å; V272-L274 VanDerWaalsContact C-N 3.31Å; V272-L274 PolarHBondContact O-N 2.64Å; V272-N275 PolarHBondContact O-N 3.09Å; V272-V276 HydrophobicContact CG2-CG2 3.95Å; V272-V276 PolarHBondContact O-N 2.6Å; V272-F667 HydrophobicContact CG1-CZ 4.23Å
273A96.3Very high96.5Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-61.7-41.2-164.200000112.2M268 N270 V277 L310M268-A273 HydrophobicContact CG-CB 4.5Å; N270-A273 WeakPolarHBondContact OD1-CA 3.42Å; N270-A273 WeakPolarHBondContact OD1-CB 3.28Å; N270-A273 PolarHBondContact OD1-N 2.63Å; A273-V277 WeakPolarHBondContact O-CG2 3.3Å; A273-V277 PolarHBondContact O-N 2.89Å; A273-V277 VanDerWaalsContact O-N 3.12Å; A273-L310 HydrophobicContact CB-CB 4.3Å
274L97.1Very high96.6Very high69 Ų6920.3 Ų20.336%0.36111%0.106SC..Hα-helixtrans-56.6-50.9173.9-17764.3000112.1V272 V276 V277 D278 L310V272-L274 VanDerWaalsContact C-N 3.31Å; V272-L274 PolarHBondContact O-N 2.64Å; L274-V276 PolarHBondContact O-N 2.96Å; L274-V277 PolarHBondContact O-N 2.89Å; L274-D278 WeakPolarHBondContact O-CB 3.36Å; L274-D278 PolarHBondContact O-N 3.28Å; L274-L310 HydrophobicContact CD1-CD1 4.1Å
275N96.7Very high96.4Very high30 Ų3023.6 Ų23.616%0.1612%0.123CC..Hα-helixtrans-63.5-43.5-177.5-59.571.7000111.8M97 V272 V277 D278 F279M97-N275 HydrophobicContact CG-CB 4.43Å; M97-N275 HydrophobicContact SD-CB 3.49Å; M97-N275 WeakPolarHBondContact SD-CB 3.44Å; V272-N275 PolarHBondContact O-N 3.09Å; N275-V277 VanDerWaalsContact C-N 3.34Å; N275-V277 PolarHBondContact O-N 2.8Å; N275-D278 PolarHBondContact O-N 2.72Å; N275-F279 WeakPolarHBondContact O-CB 3.23Å; N275-F279 WeakPolarHBondContact O-CD2 3.41Å; N275-F279 WeakPolarHBondContact O-CG 3.45Å; N275-F279 PolarHBondContact O-N 3.02Å
276V97.2Very high96.4Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-58-48.5176.3171.30000110.6M94 M97 T239 A240 L244 V272 L274 F279 A280M94-V276 WeakPolarHBondContact CE-O 3.24Å; M94-V276 HydrophobicContact SD-CG1 4.33Å; M97-V276 HydrophobicContact CB-CG2 3.94Å; M97-V276 HydrophobicContact CG-CG2 4.27Å; T239-V276 HydrophobicContact CG2-CG2 4.32Å; A240-V276 HydrophobicContact CB-CG1 3.95Å; A240-V276 HydrophobicContact CB-CG2 3.91Å; L244-V276 HydrophobicContact CD2-CG1 4.17Å; V272-V276 HydrophobicContact CG2-CG2 3.95Å; V272-V276 PolarHBondContact O-N 2.6Å; L274-V276 PolarHBondContact O-N 2.96Å; V276-F279 PolarHBondContact O-N 2.78Å; V276-A280 WeakPolarHBondContact O-CB 3.49Å; V276-A280 PolarHBondContact O-N 3.36Å
277V97.2Very high96.2Very high1 Ų124.5 Ų24.51%0.00613%0.125CC..Hα-helixtrans-66.8-40.8-179.2170.30000111.5M268 A273 L274 N275 A280 K281 F303 F305 L310M268-V277 HydrophobicContact SD-CG2 4.16Å; A273-V277 WeakPolarHBondContact O-CG2 3.3Å; A273-V277 PolarHBondContact O-N 2.89Å; A273-V277 VanDerWaalsContact O-N 3.12Å; L274-V277 PolarHBondContact O-N 2.89Å; N275-V277 VanDerWaalsContact C-N 3.34Å; N275-V277 PolarHBondContact O-N 2.8Å; V277-A280 PolarHBondContact O-N 2.84Å; V277-K281 HydrophobicContact CG1-CD 4.47Å; V277-K281 WeakPolarHBondContact O-CG 3.28Å; V277-K281 PolarHBondContact O-N 3.45Å; V277-F303 WeakPolarHBondContact CG1-O 3.08Å; V277-F305 HydrophobicContact CG1-CD2 4.09Å; V277-F305 HydrophobicContact CG1-CE2 4.06Å; V277-F305 HydrophobicContact CG2-CD2 4.16Å; V277-F305 HydrophobicContact CG2-CE2 3.62Å; V277-L310 HydrophobicContact CB-CD1 4.09Å; V277-L310 HydrophobicContact CG1-CD1 4.28Å; V277-L310 HydrophobicContact CG2-CD1 4.12Å; V277-L310 HydrophobicContact CG2-CD2 4.03Å
278D96.5Very high96.1Very high51 Ų5124.8 Ų24.827%0.27313%0.127SC..Hα-helixtrans-68.6-38178.4-76.3-13.6000112.6L274 N275 K281 S282L274-D278 WeakPolarHBondContact O-CB 3.36Å; L274-D278 PolarHBondContact O-N 3.28Å; N275-D278 PolarHBondContact O-N 2.72Å; D278-K281 PolarHBondContact O-N 3.13Å; D278-K281 IonicContact OD1-NZ 3.15Å; D278-K281 PolarHBondContact OD1-NZ 2.86Å; D278-S282 PolarHBondContact O-N 3.31Å; D278-S282 VanDerWaalsContact O-N 3.09Å
279F96.8Very high95.8Very high23 Ų2329.7 Ų29.710%0.10115%0.15CC..Hα-helixtrans-62.6-45.1170.5-71.9-26.9000111.8K93 M94 M97 N275 V276 K281 S282 M283K93-F279 HydrophobicContact CB-CD2 4.06Å; K93-F279 HydrophobicContact CB-CE2 4.17Å; K93-F279 HydrophobicContact CB-CG 4.41Å; K93-F279 HydrophobicContact CD-CD1 3.97Å; K93-F279 HydrophobicContact CD-CE1 3.89Å; K93-F279 HydrophobicContact CD-CE2 4.5Å; K93-F279 HydrophobicContact CD-CG 4.34Å; K93-F279 HydrophobicContact CD-CZ 4.17Å; M94-F279 HydrophobicContact CE-CB 3.69Å; M94-F279 HydrophobicContact SD-CB 4.06Å; M94-F279 HydrophobicContact SD-CD2 4.47Å; M97-F279 HydrophobicContact CE-CE2 4.07Å; M97-F279 HydrophobicContact CG-CD2 3.88Å; M97-F279 HydrophobicContact CG-CE2 3.68Å; M97-F279 HydrophobicContact SD-CE2 3.87Å; N275-F279 WeakPolarHBondContact O-CB 3.23Å; N275-F279 WeakPolarHBondContact O-CD2 3.41Å; N275-F279 WeakPolarHBondContact O-CG 3.45Å; N275-F279 PolarHBondContact O-N 3.02Å; V276-F279 PolarHBondContact O-N 2.78Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 3.14Å; F279-S282 PolarHBondContact O-N 2.92Å; F279-S282 PolarHBondContact O-OG 2.82Å; F279-M283 HydrophobicContact CB-CE 3.84Å; F279-M283 HydrophobicContact CG-CE 4.23Å; F279-M283 WeakPolarHBondContact O-CG 3.24Å; F279-M283 PolarHBondContact O-N 3.11Å; F279-M283 VanDerWaalsContact O-N 3.11Å
280A96.5Very high95.6Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-58.6-43.3175.700000111.3M94 L244 V276 V277 S282 M283 M287 F303M94-A280 HydrophobicContact CE-CB 3.97Å; L244-A280 HydrophobicContact CD1-CB 4.03Å; L244-A280 HydrophobicContact CD2-CB 4Å; V276-A280 WeakPolarHBondContact O-CB 3.49Å; V276-A280 PolarHBondContact O-N 3.36Å; V277-A280 PolarHBondContact O-N 2.84Å; A280-S282 VanDerWaalsContact C-N 3.25Å; A280-S282 PolarHBondContact O-N 3.1Å; A280-M283 PolarHBondContact O-N 2.97Å; A280-M287 HydrophobicContact CB-CE 4.41Å; A280-M287 WeakPolarHBondContact O-CE 3.28Å; A280-F303 HydrophobicContact CB-CB 4.27Å; A280-F303 HydrophobicContact CB-CD1 4.13Å; A280-F303 HydrophobicContact CB-CD2 3.92Å; A280-F303 HydrophobicContact CB-CE2 4.37Å; A280-F303 HydrophobicContact CB-CG 3.8Å
281K95.1Very high95.5Very high56 Ų5636.8 Ų36.824%0.24318%0.182CC..Hα-helixtrans-58.8-36.4175.4-71.3170.3-165.3152.80112.5V277 D278 F279 V284 N301 F303V277-K281 HydrophobicContact CG1-CD 4.47Å; V277-K281 WeakPolarHBondContact O-CG 3.28Å; V277-K281 PolarHBondContact O-N 3.45Å; D278-K281 PolarHBondContact O-N 3.13Å; D278-K281 IonicContact OD1-NZ 3.15Å; D278-K281 PolarHBondContact OD1-NZ 2.86Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 3.14Å; K281-V284 WeakPolarHBondContact O-CG2 3.33Å; K281-N301 VanDerWaalsContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CA-ND2 3.2Å; K281-N301 PolarHBondContact O-ND2 2.88Å; K281-F303 WeakPolarHBondContact CE-O 3.42Å; K281-F303 HydrophobicContact CG-CB 3.8Å
282S94.7Very high95.3Very high78 Ų7837.9 Ų37.955%0.54519%0.189SC..Hα-helixtrans-79.7-22.3-177.973.80000114.4D278 F279 A280 V284D278-S282 PolarHBondContact O-N 3.31Å; D278-S282 VanDerWaalsContact O-N 3.09Å; F279-S282 PolarHBondContact O-N 2.92Å; F279-S282 PolarHBondContact O-OG 2.82Å; A280-S282 VanDerWaalsContact C-N 3.25Å; A280-S282 PolarHBondContact O-N 3.1Å; S282-V284 PolarHBondContact O-N 3.1Å
283M94.8Very high95.1Very high7 Ų745.1 Ų45.13%0.03422%0.216CC..  trans-100.933.4-171.9-65.2173.6-162.800113.7P90 K93 L156 F279 A280 E285 W286P90-M283 HydrophobicContact CB-SD 3.69Å; P90-M283 HydrophobicContact CG-SD 3.87Å; K93-M283 HydrophobicContact CB-CE 3.6Å; K93-M283 HydrophobicContact CD-CE 3.44Å; K93-M283 VanDerWaalsContact CD-CE 3.44Å; K93-M283 HydrophobicContact CG-CE 3.74Å; L156-M283 HydrophobicContact CD2-CB 4.3Å; L156-M283 HydrophobicContact CD2-SD 4.39Å; F279-M283 HydrophobicContact CB-CE 3.84Å; F279-M283 HydrophobicContact CG-CE 4.23Å; F279-M283 WeakPolarHBondContact O-CG 3.24Å; F279-M283 PolarHBondContact O-N 3.11Å; F279-M283 VanDerWaalsContact O-N 3.11Å; A280-M283 PolarHBondContact O-N 2.97Å; M283-E285 PolarHBondContact O-N 2.94Å; M283-E285 VanDerWaalsContact O-N 3.11Å; M283-W286 WeakPolarHBondContact O-CB 3.27Å; M283-W286 PolarHBondContact O-N 3.17Å
284V94.5Very high94.8Very high10 Ų1047 Ų476%0.06123%0.229CC..G310 helixtrans-57.7-27.8-179.2173.20000112.6K281 S282 W286 M287 V291 F295K281-V284 WeakPolarHBondContact O-CG2 3.33Å; S282-V284 PolarHBondContact O-N 3.1Å; V284-W286 PolarHBondContact O-N 3.3Å; V284-M287 HydrophobicContact CG2-SD 4.4Å; V284-M287 WeakPolarHBondContact O-CB 3.45Å; V284-M287 PolarHBondContact O-N 3.22Å; V284-M287 VanDerWaalsContact O-N 3.15Å; V284-V291 HydrophobicContact CG1-CG1 4.17Å; V284-F295 HydrophobicContact CG1-CB 3.91Å; V284-F295 HydrophobicContact CG1-CD1 4.22Å; V284-F295 HydrophobicContact CG1-CG 4.06Å; V284-F295 HydrophobicContact CG2-CD2 4.48Å
285E93.5Very high94.4Very high120 Ų12048 Ų4856%0.56123%0.231SC*.G310 helixtrans-62.8-22.5176.469.3178.7-160.800114M283 M292M283-E285 PolarHBondContact O-N 2.94Å; M283-E285 VanDerWaalsContact O-N 3.11Å; E285-M292 WeakPolarHBondContact O-CE 3.25Å
286W96Very high94.2Very high22 Ų2252.8 Ų52.88%0.08325%0.252CS..G310 helixtrans-89.9-3.2179.9-67.284.9000113.2T88 P90 V130 K131 Y132 L156 M283 V284T88-W286 HydrophobicContact CG2-CH2 3.94Å; T88-W286 HydrophobicContact CG2-CZ3 3.76Å; P90-W286 HydrophobicContact CG-CB 4.02Å; P90-W286 HydrophobicContact CG-CD2 3.4Å; P90-W286 VanDerWaalsContact CG-CD2 3.4Å; P90-W286 HydrophobicContact CG-CE3 3.73Å; P90-W286 HydrophobicContact CG-CG 3.5Å; P90-W286 VanDerWaalsContact CG-CG 3.5Å; P90-W286 HydrophobicContact CG-CZ2 4.44Å; P90-W286 HydrophobicContact CG-CZ3 4.36Å; V130-W286 WeakPolarHBondContact O-CH2 3.15Å; K131-W286 HydrophobicContact CG-CZ2 4.26Å; Y132-W286 HydrophobicContact CD1-CZ3 4.18Å; Y132-W286 AromaticContact CD2-CE3 3.66Å; Y132-W286 HydrophobicContact CD2-CE3 3.66Å; Y132-W286 AromaticContact CD2-CZ3 3.56Å; Y132-W286 HydrophobicContact CD2-CZ3 3.56Å; Y132-W286 HydrophobicContact CE1-CZ3 4.14Å; Y132-W286 AromaticContact CE2-CE3 3.34Å; Y132-W286 HydrophobicContact CE2-CE3 3.34Å; Y132-W286 AromaticContact CE2-CZ3 3.54Å; Y132-W286 HydrophobicContact CE2-CZ3 3.54Å; Y132-W286 HydrophobicContact CG-CE3 4.45Å; Y132-W286 AromaticContact CG-CZ3 3.9Å; Y132-W286 HydrophobicContact CG-CZ3 3.9Å; Y132-W286 AromaticContact CZ-CE3 3.9Å; Y132-W286 AromaticContact CZ-CZ3 3.84Å; L156-W286 HydrophobicContact CD1-CB 3.76Å; L156-W286 HydrophobicContact CG-CB 4.47Å; M283-W286 WeakPolarHBondContact O-CB 3.27Å; M283-W286 PolarHBondContact O-N 3.17Å; V284-W286 PolarHBondContact O-N 3.3Å
287M96Very high93.9Very high5 Ų559 Ų593%0.02529%0.285CS..SBendtrans-95.9177.9-172.7-63.4178.8-179.900111.8L156 H183 A280 V284 V291 F303L156-M287 HydrophobicContact CD1-CE 4.12Å; L156-M287 HydrophobicContact CD1-CG 3.68Å; L156-M287 HydrophobicContact CD2-CE 3.9Å; H183-M287 CarbonylContact O-C 3.55Å; H183-M287 WeakPolarHBondContact O-CA 3.5Å; H183-M287 VanDerWaalsContact O-CB 3.31Å; H183-M287 WeakPolarHBondContact O-CB 3.38Å; A280-M287 HydrophobicContact CB-CE 4.41Å; A280-M287 WeakPolarHBondContact O-CE 3.28Å; V284-M287 HydrophobicContact CG2-SD 4.4Å; V284-M287 WeakPolarHBondContact O-CB 3.45Å; V284-M287 PolarHBondContact O-N 3.22Å; V284-M287 VanDerWaalsContact O-N 3.15Å; M287-V291 HydrophobicContact CB-CB 4.1Å; M287-V291 HydrophobicContact CB-CG1 3.97Å; M287-V291 HydrophobicContact SD-CG1 3.74Å; M287-F303 HydrophobicContact CE-CD2 3.71Å; M287-F303 HydrophobicContact CE-CE2 3.21Å; M287-F303 HydrophobicContact CE-CZ 4.1Å; M287-F303 HydrophobicContact SD-CD2 4.19Å; M287-F303 HydrophobicContact SD-CE2 3.53Å; M287-F303 VanDerWaalsContact SD-CE2 3.53Å
288S94.6Very high93.5Very high6 Ų665.7 Ų65.74%0.04232%0.316CS..  trans-57.9150.4177.371.90000112.2H183 N185 K290 V291 M292H183-S288 PolarHBondContact O-N 3.05Å; N185-S288 WeakPolarHBondContact OD1-CA 3.41Å; N185-S288 WeakPolarHBondContact OD1-CB 3.49Å; S288-K290 PolarHBondContact O-N 3.24Å; S288-V291 PolarHBondContact O-N 2.99Å; S288-V291 PolarHBondContact OG-N 3.16Å; S288-M292 PolarHBondContact O-N 3.45Å
289E93Very high93.2Very high104 Ų10473.5 Ų73.549%0.48634%0.342SS..Hα-helixtrans-55.1-30.7175.3-64.4168.8-170.900111.8N185 R293N185-E289 PolarHBondContact OD1-N 2.95Å; E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 VanDerWaalsContact O-CG 3.26Å; E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 2.97Å
290K92.6Very high92.8Very high144 Ų14475.3 Ų75.363%0.62636%0.358SS*.Hα-helixtrans-66.2-45177.4-176.3-176176.4-1730111.6S288 S294S288-K290 PolarHBondContact O-N 3.24Å; K290-S294 WeakPolarHBondContact O-CB 3.46Å; K290-S294 PolarHBondContact O-N 3.22Å; K290-S294 PolarHBondContact O-OG 3.06Å
291V93.5Very high92.5Very high8 Ų876.5 Ų76.55%0.04836%0.364CS..Hα-helixtrans-66.9-45.5177.9167.30000109.9V284 M287 S288 R293 S294 F295 P302V284-V291 HydrophobicContact CG1-CG1 4.17Å; M287-V291 HydrophobicContact CB-CB 4.1Å; M287-V291 HydrophobicContact CB-CG1 3.97Å; M287-V291 HydrophobicContact SD-CG1 3.74Å; S288-V291 PolarHBondContact O-N 2.99Å; S288-V291 PolarHBondContact OG-N 3.16Å; V291-R293 PolarHBondContact O-N 2.74Å; V291-S294 PolarHBondContact O-N 2.97Å; V291-F295 PolarHBondContact O-N 2.89Å; V291-P302 HydrophobicContact CG1-CG 3.59Å; V291-P302 HydrophobicContact CG2-CG 4.23Å
292M92.9Very high92.3Very high59 Ų5974.8 Ų74.829%0.29136%0.359SS..Hα-helixtrans-56.5-51177.3-169.7177.8-59.300111.8E285 S288 S294 F295 E296E285-M292 WeakPolarHBondContact O-CE 3.25Å; S288-M292 PolarHBondContact O-N 3.45Å; M292-S294 PolarHBondContact O-N 2.61Å; M292-F295 WeakPolarHBondContact O-CB 3.32Å; M292-F295 PolarHBondContact O-N 2.87Å; M292-E296 WeakPolarHBondContact O-CG 3.49Å; M292-E296 PolarHBondContact O-N 3.4Å
293R91.6Very high92.4Very high155 Ų15571.1 Ų71.159%0.58533%0.333SS*.Hα-helixtrans-61.2-41.4176.1-72.8179.1-168.2-162.25.2113E289 V291 F295 E296 D297E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 VanDerWaalsContact O-CG 3.26Å; E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 2.97Å; V291-R293 PolarHBondContact O-N 2.74Å; R293-F295 PolarHBondContact O-N 2.8Å; R293-E296 PolarHBondContact O-N 3.16Å; R293-D297 VanDerWaalsContact O-CB 3.3Å; R293-D297 WeakPolarHBondContact O-CB 3.37Å; R293-D297 VanDerWaalsContact O-CG 3.3Å; R293-D297 PolarHBondContact O-N 3.3Å
294S89.9Confident92.4Very high40 Ų4076.4 Ų76.428%0.2836%0.357SS..Hα-helixtrans-63.5-34.9178.7-55.10000111.5K290 V291 M292 Q298K290-S294 WeakPolarHBondContact O-CB 3.46Å; K290-S294 PolarHBondContact O-N 3.22Å; K290-S294 PolarHBondContact O-OG 3.06Å; V291-S294 PolarHBondContact O-N 2.97Å; M292-S294 PolarHBondContact O-N 2.61Å; S294-Q298 WeakPolarHBondContact O-CA 3.32Å; S294-Q298 VanDerWaalsContact O-CB 3.3Å; S294-Q298 WeakPolarHBondContact O-CB 2.85Å; S294-Q298 PolarHBondContact O-N 3.05Å
295F89.9Confident92.4Very high90 Ų9077.2 Ų77.240%0.39536%0.36SS..Hα-helixtrans-70.5-45174.3-177.4-100.4000112.1V284 V291 M292 R293 R299 S300 N301V284-F295 HydrophobicContact CG1-CB 3.91Å; V284-F295 HydrophobicContact CG1-CD1 4.22Å; V284-F295 HydrophobicContact CG1-CG 4.06Å; V284-F295 HydrophobicContact CG2-CD2 4.48Å; V291-F295 PolarHBondContact O-N 2.89Å; M292-F295 WeakPolarHBondContact O-CB 3.32Å; M292-F295 PolarHBondContact O-N 2.87Å; R293-F295 PolarHBondContact O-N 2.8Å; F295-R299 WeakPolarHBondContact O-CA 3.47Å; F295-R299 PolarHBondContact O-N 3Å; F295-S300 WeakPolarHBondContact CA-O 3.37Å; F295-N301 HydrophobicContact CD2-CB 4.35Å; F295-N301 HydrophobicContact CE2-CB 4.48Å
296E91.1Very high92.4Very high129 Ų12979.9 Ų79.960%0.60337%0.365SS*.Hα-helixtrans-62.6-46.1177.3-71.3172.7173.500112.3M292 R293M292-E296 WeakPolarHBondContact O-CG 3.49Å; M292-E296 PolarHBondContact O-N 3.4Å; R293-E296 PolarHBondContact O-N 3.16Å
297D91.4Very high92.4Very high130 Ų13081.4 Ų81.470%0.69537%0.373SS*.Hα-helixtrans-79.4-43.9-174-68.8-25.8000112.7R293R293-D297 VanDerWaalsContact O-CB 3.3Å; R293-D297 WeakPolarHBondContact O-CB 3.37Å; R293-D297 VanDerWaalsContact O-CG 3.3Å; R293-D297 PolarHBondContact O-N 3.3Å
298Q89.7Confident92.5Very high142 Ų14281.8 Ų81.866%0.66437%0.374SS*.Hα-helixtrans-111-3.8-168.9-54.2178.46.700113.2S294 S300S294-Q298 WeakPolarHBondContact O-CA 3.32Å; S294-Q298 VanDerWaalsContact O-CB 3.3Å; S294-Q298 WeakPolarHBondContact O-CB 2.85Å; S294-Q298 PolarHBondContact O-N 3.05Å; Q298-S300 PolarHBondContact O-N 3.27Å; Q298-S300 VanDerWaalsContact O-N 3.1Å
299R88.9Confident92.6Very high216 Ų21686.2 Ų86.282%0.81539%0.394SS*.  trans51.229.3-169.6-59.7-175.7176.4-159.7-3112.6F295F295-R299 WeakPolarHBondContact O-CA 3.47Å; F295-R299 PolarHBondContact O-N 3Å
300S88.1Confident92.8Very high61 Ų6183.5 Ų83.543%0.42738%0.383SS..  trans-97.9121.9-178.4-174.20000109.5F295 Q298F295-S300 WeakPolarHBondContact CA-O 3.37Å; Q298-S300 PolarHBondContact O-N 3.27Å; Q298-S300 VanDerWaalsContact O-N 3.1Å
301N91.2Very high93.1Very high24 Ų2476.8 Ų76.813%0.12836%0.355CS..  trans-98125173.4-166.9-56.9000109.7K281 F295 F303 H304K281-N301 VanDerWaalsContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CA-ND2 3.2Å; K281-N301 PolarHBondContact O-ND2 2.88Å; F295-N301 HydrophobicContact CD2-CB 4.35Å; F295-N301 HydrophobicContact CE2-CB 4.48Å; N301-F303 PolarHBondContact O-N 3.35Å; N301-F303 VanDerWaalsContact O-N 3.16Å; N301-F303 PolarHBondContact OD1-N 2.9Å; N301-H304 HydrophobicContact CB-CB 4.19Å; N301-H304 WeakPolarHBondContact O-CB 3.41Å; N301-H304 PolarHBondContact O-N 2.85Å; N301-H304 VanDerWaalsContact O-N 3.08Å
302P91.4Very high93.2Very high21 Ų2178.2 Ų78.214%0.13636%0.36CS..THydrogen-bonded Turntrans-64.7-17.7-178.725.6-34.5000114.5H248 V291H248-P302 WeakPolarHBondContact CE1-CB 3.39Å; H248-P302 WeakPolarHBondContact ND1-CB 3.27Å; H248-P302 PolarHBondContact ND1-O 3.28Å; V291-P302 HydrophobicContact CG1-CG 3.59Å; V291-P302 HydrophobicContact CG2-CG 4.23Å
303F95.1Very high93.3Very high0 Ų078 Ų780%036%0.363CS..THydrogen-bonded Turntrans-101.36.4178.4-58.6-73.1000112.7H183 L244 H248 V277 A280 K281 M287 N301 F305H183-F303 HydrophobicContact CB-CE2 4.48Å; H183-F303 HydrophobicContact CB-CZ 3.99Å; L244-F303 HydrophobicContact CB-CE1 3.73Å; L244-F303 HydrophobicContact CB-CZ 4.15Å; L244-F303 HydrophobicContact CD2-CD1 4.05Å; L244-F303 HydrophobicContact CD2-CE1 3.85Å; L244-F303 HydrophobicContact CG-CE1 4.25Å; H248-F303 HydrophobicContact CB-CE1 4.28Å; V277-F303 WeakPolarHBondContact CG1-O 3.08Å; A280-F303 HydrophobicContact CB-CB 4.27Å; A280-F303 HydrophobicContact CB-CD1 4.13Å; A280-F303 HydrophobicContact CB-CD2 3.92Å; A280-F303 HydrophobicContact CB-CE2 4.37Å; A280-F303 HydrophobicContact CB-CG 3.8Å; K281-F303 WeakPolarHBondContact CE-O 3.42Å; K281-F303 HydrophobicContact CG-CB 3.8Å; M287-F303 HydrophobicContact CE-CD2 3.71Å; M287-F303 HydrophobicContact CE-CE2 3.21Å; M287-F303 HydrophobicContact CE-CZ 4.1Å; M287-F303 HydrophobicContact SD-CD2 4.19Å; M287-F303 HydrophobicContact SD-CE2 3.53Å; M287-F303 VanDerWaalsContact SD-CE2 3.53Å; N301-F303 PolarHBondContact O-N 3.35Å; N301-F303 VanDerWaalsContact O-N 3.16Å; N301-F303 PolarHBondContact OD1-N 2.9Å; F303-F305 VanDerWaalsContact C-N 3.29Å; F303-F305 HydrophobicContact CD1-CE1 4.17Å; F303-F305 AromaticContact CD1-CZ 3.84Å; F303-F305 HydrophobicContact CD1-CZ 3.84Å; F303-F305 PolarHBondContact O-N 3.42Å; F303-F305 VanDerWaalsContact O-N 3.09Å
304H94.7Very high93.3Very high119 Ų11973.5 Ų73.555%0.55135%0.35SS*.  trans-80.682.4165.2-169.685.6000109.5N301N301-H304 HydrophobicContact CB-CB 4.19Å; N301-H304 WeakPolarHBondContact O-CB 3.41Å; N301-H304 PolarHBondContact O-N 2.85Å; N301-H304 VanDerWaalsContact O-N 3.08Å
305F95.1Very high93.5Very high27 Ų2779.1 Ų79.112%0.11837%0.372CS..  trans-73.2130.4-178.5-54.3-39.2000111.6A247 E251 V277 F303 M308 L310A247-F305 HydrophobicContact CB-CE1 4.44Å; A247-F305 HydrophobicContact CB-CE2 4.27Å; A247-F305 HydrophobicContact CB-CZ 3.72Å; E251-F305 HydrophobicContact CB-CD1 3.94Å; E251-F305 HydrophobicContact CB-CE1 4.27Å; E251-F305 HydrophobicContact CG-CD1 3.82Å; V277-F305 HydrophobicContact CG1-CD2 4.09Å; V277-F305 HydrophobicContact CG1-CE2 4.06Å; V277-F305 HydrophobicContact CG2-CD2 4.16Å; V277-F305 HydrophobicContact CG2-CE2 3.62Å; F303-F305 VanDerWaalsContact C-N 3.29Å; F303-F305 HydrophobicContact CD1-CE1 4.17Å; F303-F305 AromaticContact CD1-CZ 3.84Å; F303-F305 HydrophobicContact CD1-CZ 3.84Å; F303-F305 PolarHBondContact O-N 3.42Å; F303-F305 VanDerWaalsContact O-N 3.09Å; F305-M308 HydrophobicContact CB-CB 3.67Å; F305-M308 HydrophobicContact CD2-CB 3.92Å; F305-M308 HydrophobicContact CD2-CG 4.21Å; F305-M308 HydrophobicContact CD2-SD 3.8Å; F305-M308 HydrophobicContact CE2-SD 3.72Å; F305-M308 HydrophobicContact CG-CB 3.88Å; F305-M308 HydrophobicContact CG-SD 4.4Å; F305-M308 HydrophobicContact CZ-SD 4.25Å; F305-L310 HydrophobicContact CD2-CD2 4.32Å
306R94.5Very high93.8Very high176 Ų17679.1 Ų79.166%0.66437%0.373SS*.SBendtrans-102.5-28176-68.5-171.9-76.7-173.8-6.4112.2E251E251-R306 PolarHBondContact OE1-N 3.1Å
307H95.6Very high94.1Very high54 Ų5473.2 Ų73.225%0.2535%0.345CS..SBendtrans-106.6-30-179.6-67.7-76.3000113.2E251 W254 Q309E251-H307 IonicContact OE1-CD2 3.77Å; E251-H307 PolarHBondContact OE1-N 2.75Å; E251-H307 PolarHBondContact OE2-N 3.44Å; W254-H307 HydrophobicContact CB-CB 3.84Å; W254-H307 AromaticContact CD1-CG 3.9Å; W254-H307 HydrophobicContact CG-CB 4.01Å; H307-Q309 PolarHBondContact O-N 3.32Å
308M97.2Very high94.3Very high12 Ų1270.9 Ų70.96%0.05933%0.333CS..EExtended strand (participates in β ladder)trans-72.5115.9177.7-164.5165.9-59.100112.2A247 E251 L266 M268 F305 L310A247-M308 HydrophobicContact CB-CE 3.73Å; A247-M308 HydrophobicContact CB-SD 3.85Å; E251-M308 PolarHBondContact OE2-N 3.18Å; E251-M308 VanDerWaalsContact OE2-N 3.15Å; L266-M308 HydrophobicContact CD1-CE 4.28Å; L266-M308 HydrophobicContact CD2-CB 4.21Å; L266-M308 HydrophobicContact CD2-CE 3.72Å; L266-M308 HydrophobicContact CG-CB 4.27Å; L266-M308 HydrophobicContact CG-CE 3.98Å; L266-M308 HydrophobicContact CG-CG 4.24Å; L266-M308 WeakPolarHBondContact O-CA 3.43Å; M268-M308 HydrophobicContact CB-CG 4.15Å; M268-M308 HydrophobicContact CB-SD 3.9Å; F305-M308 HydrophobicContact CB-CB 3.67Å; F305-M308 HydrophobicContact CD2-CB 3.92Å; F305-M308 HydrophobicContact CD2-CG 4.21Å; F305-M308 HydrophobicContact CD2-SD 3.8Å; F305-M308 HydrophobicContact CE2-SD 3.72Å; F305-M308 HydrophobicContact CG-CB 3.88Å; F305-M308 HydrophobicContact CG-SD 4.4Å; F305-M308 HydrophobicContact CZ-SD 4.25Å; M308-L310 HydrophobicContact CG-CD2 4.37Å
309Q97.3Very high94.5Very high99 Ų9968.3 Ų68.346%0.46334%0.336SS..EExtended strand (participates in β ladder)trans-83.4127.4171.5-66.9180-37.800109.7L266 A267 M268 H307L266-Q309 PolarHBondContact O-N 2.7Å; A267-Q309 CarbonylContact C-O 3.59Å; A267-Q309 WeakPolarHBondContact CA-O 3.3Å; M268-Q309 PolarHBondContact N-O 3.27Å; H307-Q309 PolarHBondContact O-N 3.32Å
310L97.7Very high94.9Very high47 Ų4758.3 Ų58.325%0.24630%0.299CS..EExtended strand (participates in β ladder)trans-90.6121177.1-53-177.4000108.3M268 A273 L274 V277 F305 M308M268-L310 HydrophobicContact CB-CD2 3.96Å; M268-L310 HydrophobicContact SD-CD2 4.3Å; A273-L310 HydrophobicContact CB-CB 4.3Å; L274-L310 HydrophobicContact CD1-CD1 4.1Å; V277-L310 HydrophobicContact CB-CD1 4.09Å; V277-L310 HydrophobicContact CG1-CD1 4.28Å; V277-L310 HydrophobicContact CG2-CD1 4.12Å; V277-L310 HydrophobicContact CG2-CD2 4.03Å; F305-L310 HydrophobicContact CD2-CD2 4.32Å; M308-L310 HydrophobicContact CG-CD2 4.37Å
311C97.4Very high95.2Very high4 Ų458.9 Ų58.93%0.02730%0.303CS..EExtended strand (participates in β ladder)trans-120.8143.1-176.9-590000110M268 L269 N270 Q316M268-C311 PolarHBondContact O-N 2.9Å; L269-C311 WeakPolarHBondContact CA-O 3.38Å; L269-C311 HydrophobicContact CD1-CB 3.87Å; N270-C311 PolarHBondContact N-O 3.13Å; N270-C311 VanDerWaalsContact O-O 3.11Å; C311-Q316 HydrophobicContact CB-CB 4.14Å
312H96.2Very high95.4Very high37 Ų3764.3 Ų64.317%0.17133%0.328CS..SBendtrans-117.3-12.9-179.7-58.7-84.1000112.9N270 Y271 F337N270-H312 PolarHBondContact O-ND1 3.1Å; Y271-H312 PolarHBondContact O-ND1 3.28Å; H312-F337 WeakPolarHBondContact O-CZ 3.45Å
313T94.3Very high95.7Very high56 Ų5664.4 Ų64.434%0.34433%0.328SS..SBendtrans-138.9159.6178.868.50000110.4E315 Q316 L317T313-E315 VanDerWaalsContact C-N 3.25Å; T313-E315 PolarHBondContact O-N 3.24Å; T313-Q316 PolarHBondContact O-N 2.95Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.35Å; T313-Q316 PolarHBondContact OG1-N 3.21Å; T313-L317 PolarHBondContact O-N 3.04Å
314L93.4Very high95.8Very high60 Ų6064.7 Ų64.731%0.31433%0.329SS..Hα-helixtrans-62.9-32.8174-68.2174.2000112.1L269 Q316 L317 D318 F337 L341L269-L314 HydrophobicContact CD2-CD2 3.89Å; L314-Q316 PolarHBondContact O-N 3.44Å; L314-L317 WeakPolarHBondContact O-CB 3.48Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-L317 VanDerWaalsContact O-N 3.13Å; L314-D318 PolarHBondContact O-N 3.32Å; L314-F337 HydrophobicContact CD2-CD1 4.05Å; L314-F337 HydrophobicContact CD2-CE1 4.49Å; L314-F337 HydrophobicContact CG-CD1 4.13Å; L314-F337 HydrophobicContact CG-CE1 4.13Å; L314-L341 HydrophobicContact CD2-CD2 4.05Å; L314-L341 HydrophobicContact CD2-CG 4.44Å
315E93.5Very high96Very high158 Ų15859 Ų5974%0.73830%0.303SS*.Hα-helixtrans-63.8-40.1176-62.5178.1177.200112.4T313 L317 D318T313-E315 VanDerWaalsContact C-N 3.25Å; T313-E315 PolarHBondContact O-N 3.24Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3Å; E315-D318 WeakPolarHBondContact O-CB 3.47Å; E315-D318 PolarHBondContact O-N 2.81Å
316Q95.7Very high96.2Very high90 Ų9057.7 Ų57.742%0.42130%0.297SS..Hα-helixtrans-66-36.1173.6-71.8176-1.700111.3C311 T313 L314 D318 A319C311-Q316 HydrophobicContact CB-CB 4.14Å; T313-Q316 PolarHBondContact O-N 2.95Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.35Å; T313-Q316 PolarHBondContact OG1-N 3.21Å; L314-Q316 PolarHBondContact O-N 3.44Å; Q316-D318 VanDerWaalsContact C-N 3.31Å; Q316-A319 PolarHBondContact O-N 2.88Å
317L96.6Very high96.4Very high4 Ų449.4 Ų49.42%0.02127%0.266CS..Hα-helixtrans-67.4-32.7176.5-179.562.9000112.3A267 L269 T313 L314 E315 A319 V320 K324 V326 L341A267-L317 HydrophobicContact CB-CD1 3.71Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; T313-L317 PolarHBondContact O-N 3.04Å; L314-L317 WeakPolarHBondContact O-CB 3.48Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-L317 VanDerWaalsContact O-N 3.13Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3Å; L317-A319 PolarHBondContact O-N 2.81Å; L317-V320 HydrophobicContact CD1-CB 4.49Å; L317-V320 HydrophobicContact CD1-CG2 4.08Å; L317-V320 VanDerWaalsContact O-CB 3.29Å; L317-V320 WeakPolarHBondContact O-CB 3.4Å; L317-V320 WeakPolarHBondContact O-CG2 3.47Å; L317-V320 PolarHBondContact O-N 3.2Å; L317-V320 VanDerWaalsContact O-N 3.12Å; L317-K324 HydrophobicContact CD1-CD 4.06Å; L317-K324 HydrophobicContact CG-CD 4.49Å; L317-K324 PolarHBondContact O-NZ 3.47Å; L317-V326 HydrophobicContact CD1-CG1 4.2Å; L317-V326 HydrophobicContact CD1-CG2 3.6Å; L317-V326 HydrophobicContact CD2-CG1 4.1Å; L317-V326 HydrophobicContact CD2-CG2 4.05Å; L317-V326 HydrophobicContact CG-CG2 4.41Å; L317-L341 HydrophobicContact CD2-CD1 3.97Å; L317-L341 HydrophobicContact CD2-CD2 3.87Å
318D95.7Very high96.4Very high82 Ų8246.8 Ų46.844%0.43925%0.254SS..Hα-helixtrans-62.9-30.4176.5-77.1-29.2000112.9L314 E315 Q316 V320 K425L314-D318 PolarHBondContact O-N 3.32Å; E315-D318 WeakPolarHBondContact O-CB 3.47Å; E315-D318 PolarHBondContact O-N 2.81Å; Q316-D318 VanDerWaalsContact C-N 3.31Å; D318-V320 PolarHBondContact O-N 2.89Å; D318-K425 IonicContact OD1-NZ 3.68Å; D318-K425 PolarHBondContact OD1-NZ 3.39Å; D318-K425 IonicContact OD2-NZ 2.79Å; D318-K425 PolarHBondContact OD2-NZ 2.86Å
319A95.6Very high96.2Very high88 Ų8846.3 Ų46.373%0.72725%0.252SS*.THydrogen-bonded Turntrans-70.3-15.6176.400000113.5Q316 L317Q316-A319 PolarHBondContact O-N 2.88Å; L317-A319 PolarHBondContact O-N 2.81Å
320V96.4Very high95.9Very high5 Ų541.9 Ų41.93%0.0323%0.231CC..SBendtrans-72.7136175.9-174.40000109.4A267 L317 D318 K324A267-V320 HydrophobicContact CB-CG2 4.23Å; L317-V320 HydrophobicContact CD1-CB 4.49Å; L317-V320 HydrophobicContact CD1-CG2 4.08Å; L317-V320 VanDerWaalsContact O-CB 3.29Å; L317-V320 WeakPolarHBondContact O-CB 3.4Å; L317-V320 WeakPolarHBondContact O-CG2 3.47Å; L317-V320 PolarHBondContact O-N 3.2Å; L317-V320 VanDerWaalsContact O-N 3.12Å; D318-V320 PolarHBondContact O-N 2.89Å; V320-K324 HydrophobicContact CB-CD 4.21Å; V320-K324 HydrophobicContact CG1-CB 4.16Å; V320-K324 HydrophobicContact CG1-CD 4.26Å; V320-K324 WeakPolarHBondContact O-CE 3.24Å; V320-K324 PolarHBondContact O-NZ 3.09Å
321S94.7Very high95.5Very high73 Ų7340.2 Ų40.251%0.5122%0.223SC..PPolyproline II helixtrans-65.8139.7-179.6580000113K324S321-K324 WeakPolarHBondContact O-CB 3.44Å
322E94.6Very high95.1Very high139 Ų13940.8 Ų40.865%0.6523%0.226SC*.SBendtrans-91.5145.7171.4-73.8-170.2156.400111.8N232N232-E322 PolarHBondContact ND2-OE1 3.17Å
323P97.4Very high94.8Very high23 Ų2339.1 Ų39.115%0.14922%0.218CC..SBendcis-76.1148.9-231.2-33.3000112.2L227 G231 N232 Y264 G265L227-P323 HydrophobicContact CD2-CB 3.87Å; L227-P323 HydrophobicContact CD2-CG 4.24Å; L227-P323 WeakPolarHBondContact O-CG 3.49Å; G231-P323 WeakPolarHBondContact O-CB 3.42Å; N232-P323 WeakPolarHBondContact OD1-CA 3.45Å; Y264-P323 HydrophobicContact CD1-CG 3.52Å; Y264-P323 HydrophobicContact CE1-CG 3.67Å; G265-P323 PolarHBondContact N-O 3.25Å
324K98Very high94.5Very high5 Ų537.2 Ų37.22%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-130.3156.9-174.163.9-172.169.2165.40113.9N232 V233 G265 L317 V320 S321 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.46Å; N232-K324 PolarHBondContact OD1-N 3.07Å; V233-K324 PolarHBondContact N-O 3.13Å; G265-K324 CarbonylContact O-C 3.53Å; G265-K324 VanDerWaalsContact O-CA 3.31Å; G265-K324 WeakPolarHBondContact O-CA 3.26Å; L317-K324 HydrophobicContact CD1-CD 4.06Å; L317-K324 HydrophobicContact CG-CD 4.49Å; L317-K324 PolarHBondContact O-NZ 3.47Å; V320-K324 HydrophobicContact CB-CD 4.21Å; V320-K324 HydrophobicContact CG1-CB 4.16Å; V320-K324 HydrophobicContact CG1-CD 4.26Å; V320-K324 WeakPolarHBondContact O-CE 3.24Å; V320-K324 PolarHBondContact O-NZ 3.09Å; S321-K324 WeakPolarHBondContact O-CB 3.44Å; K324-V326 HydrophobicContact CD-CG2 4.07Å; K324-V326 HydrophobicContact CG-CG2 4.04Å; K324-W345 HydrophobicContact CG-CH2 4.38Å
325V98.7Very high94.3Very high0 Ų034.6 Ų34.60%019%0.194CC..EExtended strand (participates in β ladder)trans-107.8130.9166.9-175.10000109.3V223 L227 V233 I235 L250 W254 G265 L266 A267 L327V223-V325 HydrophobicContact CG1-CG2 3.6Å; L227-V325 HydrophobicContact CD1-CG2 3.76Å; L227-V325 HydrophobicContact CD2-CG2 3.99Å; L227-V325 HydrophobicContact CG-CG2 4.21Å; V233-V325 HydrophobicContact CB-CB 4.47Å; V233-V325 HydrophobicContact CB-CG1 4.26Å; V233-V325 HydrophobicContact CB-CG2 4.12Å; V233-V325 HydrophobicContact CG1-CG1 4.44Å; V233-V325 HydrophobicContact CG2-CG2 4.4Å; V233-V325 CarbonylContact O-C 3.44Å; V233-V325 WeakPolarHBondContact O-CA 3.36Å; I235-V325 HydrophobicContact CD1-CG1 3.63Å; I235-V325 HydrophobicContact CG1-CG1 4.05Å; L250-V325 HydrophobicContact CD1-CG1 4.44Å; W254-V325 HydrophobicContact CH2-CB 4.35Å; W254-V325 HydrophobicContact CH2-CG2 3.66Å; W254-V325 HydrophobicContact CZ2-CG2 4.2Å; G265-V325 PolarHBondContact O-N 2.91Å; L266-V325 WeakPolarHBondContact CA-O 3.47Å; L266-V325 HydrophobicContact CD1-CB 3.94Å; L266-V325 HydrophobicContact CD1-CG1 4.15Å; A267-V325 PolarHBondContact N-O 3.5Å; V325-L327 HydrophobicContact CG1-CD1 4.39Å
326V98.7Very high94.2Very high0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-125.3119.7-179.3-173.50000110V233 I235 A267 L269 L317 K324 L341 W345V233-V326 PolarHBondContact O-N 3.39Å; I235-V326 PolarHBondContact N-O 3.44Å; A267-V326 HydrophobicContact CB-CG2 4.44Å; A267-V326 WeakPolarHBondContact O-CA 3.47Å; L269-V326 HydrophobicContact CB-CG1 3.88Å; L317-V326 HydrophobicContact CD1-CG1 4.2Å; L317-V326 HydrophobicContact CD1-CG2 3.6Å; L317-V326 HydrophobicContact CD2-CG1 4.1Å; L317-V326 HydrophobicContact CD2-CG2 4.05Å; L317-V326 HydrophobicContact CG-CG2 4.41Å; K324-V326 HydrophobicContact CD-CG2 4.07Å; K324-V326 HydrophobicContact CG-CG2 4.04Å; V326-L341 HydrophobicContact CB-CD1 4.35Å; V326-L341 HydrophobicContact CG1-CD1 3.81Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CG2-CH2 3.65Å; V326-W345 HydrophobicContact CG2-CZ3 4.34Å
327L98.6Very high94.1Very high1 Ų123.3 Ų23.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-86.1115.1166.2-71.269.4000106.9I235 V237 V246 A247 L250 L266 A267 M268 L269 V325I235-L327 HydrophobicContact CD1-CD1 4.44Å; I235-L327 WeakPolarHBondContact O-CA 3.3Å; V237-L327 HydrophobicContact CG2-CB 3.96Å; V246-L327 HydrophobicContact CB-CD2 4.31Å; V246-L327 HydrophobicContact CG1-CD2 4.06Å; V246-L327 HydrophobicContact CG1-CG 4.5Å; A247-L327 HydrophobicContact CB-CD2 3.81Å; L250-L327 HydrophobicContact CD1-CD1 3.67Å; L250-L327 HydrophobicContact CD1-CD2 4.44Å; L250-L327 HydrophobicContact CD1-CG 4.38Å; L266-L327 HydrophobicContact CD1-CD1 4.08Å; A267-L327 PolarHBondContact O-N 2.82Å; M268-L327 CarbonylContact C-O 3.46Å; M268-L327 WeakPolarHBondContact CA-O 3.32Å; M268-L327 HydrophobicContact CG-CB 4.35Å; L269-L327 PolarHBondContact N-O 3.25Å; V325-L327 HydrophobicContact CG1-CD1 4.39Å
328S97.4Very high94.1Very high0 Ų023.1 Ų23.10%014%0.142CC..EExtended strand (participates in β ladder)trans-118.9142.6-176.5-164.10000111.3I235 V237 L269 F337 S338I235-S328 PolarHBondContact O-N 3.1Å; V237-S328 WeakPolarHBondContact CG2-O 3.09Å; V237-S328 PolarHBondContact N-O 2.95Å; V237-S328 VanDerWaalsContact O-O 3.11Å; L269-S328 WeakPolarHBondContact O-CA 3.45Å; S328-F337 WeakPolarHBondContact OG-CB 3.32Å; S328-S338 VanDerWaalsContact CB-OG 3.3Å; S328-S338 WeakPolarHBondContact CB-OG 2.82Å; S328-S338 PolarHBondContact O-OG 2.81Å; S328-S338 WeakPolarHBondContact OG-CA 3.27Å; S328-S338 PolarHBondContact OG-N 3.24Å
329S92.3Very high94Very high1 Ų121 Ų211%0.00713%0.127CC..SBendtrans-71.5162-176.856.60000113.4D101 V237 L269 N270 S338D101-S329 WeakPolarHBondContact OD2-CB 3.27Å; D101-S329 PolarHBondContact OD2-OG 2.89Å; V237-S329 CarbonylContact O-C 3.44Å; V237-S329 WeakPolarHBondContact O-CA 3.48Å; L269-S329 PolarHBondContact O-N 3.35Å; N270-S329 VanDerWaalsContact CB-OG 3.32Å; N270-S329 WeakPolarHBondContact CB-OG 3.21Å; S329-S338 WeakPolarHBondContact O-CB 3.38Å; S329-S338 PolarHBondContact O-OG 2.89Å
330L90.2Very high94Very high6 Ų618.6 Ų18.63%0.03110%0.101CC..  trans6684.2-174.1-55.3-179.4000113.6F102 V237 D332 L333 C335F102-L330 HydrophobicContact CD2-CD1 4.45Å; F102-L330 HydrophobicContact CD2-CD2 4.03Å; V237-L330 CarbonylContact O-C 3.52Å; V237-L330 PolarHBondContact O-N 3.28Å; L330-D332 PolarHBondContact O-N 2.82Å; L330-D332 VanDerWaalsContact O-N 3.1Å; L330-L333 PolarHBondContact O-N 3.16Å; L330-L333 VanDerWaalsContact O-N 3.17Å; L330-C335 WeakPolarHBondContact CD1-SG 2.99Å
331S90.6Very high94Very high12 Ų1218.4 Ų18.48%0.08410%0.1CC..THydrogen-bonded Turntrans-63.2-14.1-177.971.20000115.2V237 I374V237-S331 PolarHBondContact O-N 2.79Å; V237-S331 VanDerWaalsContact O-N 3.1Å; S331-I374 WeakPolarHBondContact O-CD1 3.23Å
332D87.7Confident94.1Very high17 Ų1715 Ų159%0.0918%0.076CC..THydrogen-bonded Turntrans-85.8-7.517966.8-13.6000113.5L330 S334 I374L330-D332 PolarHBondContact O-N 2.82Å; L330-D332 VanDerWaalsContact O-N 3.1Å; D332-S334 PolarHBondContact O-N 2.72Å; D332-S334 VanDerWaalsContact O-N 3.16Å; D332-S334 PolarHBondContact OD1-N 3.11Å; D332-S334 PolarHBondContact OD1-OG 2.79Å; D332-S334 VanDerWaalsContact OD2-CB 3.24Å; D332-S334 WeakPolarHBondContact OD2-CB 3.41Å; D332-S334 PolarHBondContact OD2-OG 3.19Å; D332-I374 HydrophobicContact CB-CG2 4.36Å; D332-I374 WeakPolarHBondContact O-CB 3.49Å; D332-I374 WeakPolarHBondContact O-CG2 3.29Å
333L90.9Very high94.1Very high1 Ų18.6 Ų8.61%0.0055%0.047CC..  trans51.430.5-173.9-60.3107.1000113.5A236 L330 R339 F342 L355 L373 I374 L377A236-L333 HydrophobicContact CB-CD1 4.36Å; L330-L333 PolarHBondContact O-N 3.16Å; L330-L333 VanDerWaalsContact O-N 3.17Å; L333-R339 WeakPolarHBondContact O-CD 3.31Å; L333-R339 PolarHBondContact O-NE 3.04Å; L333-F342 HydrophobicContact CD2-CB 3.5Å; L333-F342 VanDerWaalsContact CD2-CB 3.5Å; L333-F342 HydrophobicContact CD2-CD1 4.36Å; L333-F342 HydrophobicContact CD2-CD2 4.13Å; L333-F342 HydrophobicContact CD2-CG 3.74Å; L333-L355 HydrophobicContact CD1-CD2 3.71Å; L333-L373 HydrophobicContact CB-CD2 4.03Å; L333-I374 HydrophobicContact CD1-CB 4.37Å; L333-I374 HydrophobicContact CD1-CD1 3.65Å; L333-L377 HydrophobicContact CD1-CD1 4.41Å
334S87.4Confident93.9Very high17 Ų179 Ų912%0.1195%0.047CC..SBendtrans-77.1-40.8177.862.40000111.9D332 R339D332-S334 PolarHBondContact O-N 2.72Å; D332-S334 VanDerWaalsContact O-N 3.16Å; D332-S334 PolarHBondContact OD1-N 3.11Å; D332-S334 PolarHBondContact OD1-OG 2.79Å; D332-S334 VanDerWaalsContact OD2-CB 3.24Å; D332-S334 WeakPolarHBondContact OD2-CB 3.41Å; D332-S334 PolarHBondContact OD2-OG 3.19Å; S334-R339 VanDerWaalsContact C-CD 3.47Å; S334-R339 WeakPolarHBondContact O-CD 3.36Å; S334-R339 PolarHBondContact O-NE 2.92Å
335C89.5Confident93.8Very high4 Ų49.2 Ų9.23%0.0275%0.048CC..SBendtrans-151.4-168.1172.363.10000111.6S109 L330S109-C335 WeakPolarHBondContact OG-CB 3.47Å; L330-C335 WeakPolarHBondContact CD1-SG 2.99Å
336G90.9Very high93.7Very high5 Ų59.2 Ų9.25%0.0525%0.048CC..Hα-helixtrans72-165.817600000115.2S338 R339 Q340G336-S338 PolarHBondContact O-N 3.17Å; G336-R339 PolarHBondContact O-N 3.02Å; G336-Q340 PolarHBondContact O-N 2.83Å
337F94.9Very high93.5Very high7 Ų711.7 Ų11.73%0.0316%0.061CC..Hα-helixtrans-67.7-34.2-171.1-66.9-59.8000113.8L269 Y271 H312 L314 S328 R339 Q340 L341L269-F337 HydrophobicContact CD1-CD1 4.37Å; L269-F337 HydrophobicContact CD1-CD2 4.02Å; L269-F337 HydrophobicContact CD1-CE1 4.38Å; L269-F337 HydrophobicContact CD1-CE2 4Å; L269-F337 HydrophobicContact CD1-CG 4.19Å; L269-F337 HydrophobicContact CD1-CZ 4.18Å; L269-F337 HydrophobicContact CD2-CB 3.62Å; L269-F337 HydrophobicContact CD2-CD1 3.79Å; L269-F337 HydrophobicContact CD2-CD2 4.2Å; L269-F337 HydrophobicContact CD2-CE1 4.49Å; L269-F337 HydrophobicContact CD2-CG 3.62Å; L269-F337 HydrophobicContact CG-CB 3.86Å; L269-F337 HydrophobicContact CG-CD1 4.15Å; L269-F337 HydrophobicContact CG-CD2 3.69Å; L269-F337 HydrophobicContact CG-CE2 4.2Å; L269-F337 HydrophobicContact CG-CG 3.64Å; Y271-F337 AromaticContact CD1-CE2 3.94Å; Y271-F337 HydrophobicContact CD1-CE2 3.94Å; Y271-F337 HydrophobicContact CD1-CZ 4.02Å; Y271-F337 AromaticContact CD2-CE2 3.84Å; Y271-F337 HydrophobicContact CD2-CE2 3.84Å; Y271-F337 HydrophobicContact CE1-CE1 4.5Å; Y271-F337 AromaticContact CE1-CE2 3.76Å; Y271-F337 HydrophobicContact CE1-CE2 3.76Å; Y271-F337 AromaticContact CE1-CZ 3.46Å; Y271-F337 HydrophobicContact CE1-CZ 3.46Å; Y271-F337 VanDerWaalsContact CE1-CZ 3.46Å; Y271-F337 HydrophobicContact CE2-CD2 4.25Å; Y271-F337 AromaticContact CE2-CE2 3.63Å; Y271-F337 HydrophobicContact CE2-CE2 3.63Å; Y271-F337 HydrophobicContact CE2-CZ 4.01Å; Y271-F337 AromaticContact CG-CE2 3.99Å; Y271-F337 HydrophobicContact CG-CE2 3.99Å; Y271-F337 AromaticContact CZ-CE2 3.59Å; Y271-F337 AromaticContact CZ-CZ 3.46Å; Y271-F337 VanDerWaalsContact CZ-CZ 3.46Å; H312-F337 WeakPolarHBondContact O-CZ 3.45Å; L314-F337 HydrophobicContact CD2-CD1 4.05Å; L314-F337 HydrophobicContact CD2-CE1 4.49Å; L314-F337 HydrophobicContact CG-CD1 4.13Å; L314-F337 HydrophobicContact CG-CE1 4.13Å; S328-F337 WeakPolarHBondContact OG-CB 3.32Å; F337-R339 PolarHBondContact O-N 2.79Å; F337-Q340 PolarHBondContact O-N 3.07Å; F337-L341 WeakPolarHBondContact O-CB 3.24Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.92Å
338S95.4Very high93.4Very high0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-58-39.9177-74.50000111L234 S328 S329 G336 F342L234-S338 WeakPolarHBondContact CD2-O 3.38Å; S328-S338 VanDerWaalsContact CB-OG 3.3Å; S328-S338 WeakPolarHBondContact CB-OG 2.82Å; S328-S338 PolarHBondContact O-OG 2.81Å; S328-S338 WeakPolarHBondContact OG-CA 3.27Å; S328-S338 PolarHBondContact OG-N 3.24Å; S329-S338 WeakPolarHBondContact O-CB 3.38Å; S329-S338 PolarHBondContact O-OG 2.89Å; G336-S338 PolarHBondContact O-N 3.17Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.36Å; S338-F342 PolarHBondContact O-N 2.66Å
339R94.7Very high93.3Very high36 Ų3618 Ų1814%0.13610%0.095CC..Hα-helixtrans-72.1-41.1-179.8-168.8169.6-160.7-101.4-9.5113L333 S334 G336 F337 F342 A343 T404 L405L333-R339 WeakPolarHBondContact O-CD 3.31Å; L333-R339 PolarHBondContact O-NE 3.04Å; S334-R339 VanDerWaalsContact C-CD 3.47Å; S334-R339 WeakPolarHBondContact O-CD 3.36Å; S334-R339 PolarHBondContact O-NE 2.92Å; G336-R339 PolarHBondContact O-N 3.02Å; F337-R339 PolarHBondContact O-N 2.79Å; R339-F342 PolarHBondContact O-N 3.26Å; R339-A343 PolarHBondContact O-N 3.4Å; R339-T404 PolarHBondContact NH1-O 2.72Å; R339-T404 PolarHBondContact NH2-O 3.49Å; R339-L405 HydrophobicContact CG-CD1 4.45Å
340Q94.3Very high93.5Very high38 Ų3820.9 Ų20.918%0.17811%0.11CC..Hα-helixtrans-63.3-49.1176.4-69.7174.7-16.700111.2G336 F337 F342 A343 E344 L405G336-Q340 PolarHBondContact O-N 2.83Å; F337-Q340 PolarHBondContact O-N 3.07Å; Q340-F342 VanDerWaalsContact C-N 3.33Å; Q340-F342 PolarHBondContact O-N 3.01Å; Q340-A343 WeakPolarHBondContact O-CB 3.47Å; Q340-A343 PolarHBondContact O-N 2.98Å; Q340-E344 PolarHBondContact O-N 3.1Å; Q340-E344 VanDerWaalsContact O-N 3.11Å; Q340-L405 HydrophobicContact CG-CD1 4.27Å
341L96.3Very high93.9Very high2 Ų220.8 Ų20.81%0.0111%0.109CC..Hα-helixtrans-64.3-37.8177.5-70.3177.2000112.1L234 L269 L314 L317 V326 F337 A343 E344 W345L234-L341 HydrophobicContact CD1-CB 4.06Å; L234-L341 HydrophobicContact CD1-CD1 3.8Å; L234-L341 HydrophobicContact CD2-CB 3.98Å; L269-L341 HydrophobicContact CD2-CD1 3.99Å; L314-L341 HydrophobicContact CD2-CD2 4.05Å; L314-L341 HydrophobicContact CD2-CG 4.44Å; L317-L341 HydrophobicContact CD2-CD1 3.97Å; L317-L341 HydrophobicContact CD2-CD2 3.87Å; V326-L341 HydrophobicContact CB-CD1 4.35Å; V326-L341 HydrophobicContact CG1-CD1 3.81Å; F337-L341 WeakPolarHBondContact O-CB 3.24Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.92Å; L341-A343 VanDerWaalsContact C-N 3.35Å; L341-A343 PolarHBondContact O-N 2.8Å; L341-E344 PolarHBondContact O-N 3.39Å; L341-W345 HydrophobicContact CD2-CH2 4.38Å; L341-W345 HydrophobicContact CD2-CZ2 3.85Å; L341-W345 VanDerWaalsContact O-CB 3.25Å; L341-W345 WeakPolarHBondContact O-CB 3.47Å; L341-W345 PolarHBondContact O-N 2.79Å
342F96.5Very high94.3Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-59.4-46.5173.6175-100.6000111.6L234 L333 S338 R339 Q340 E344 W345 A346 I353 L373 L377 L401 L403 L685L234-F342 HydrophobicContact CD2-CB 4.13Å; L333-F342 HydrophobicContact CD2-CB 3.5Å; L333-F342 VanDerWaalsContact CD2-CB 3.5Å; L333-F342 HydrophobicContact CD2-CD1 4.36Å; L333-F342 HydrophobicContact CD2-CD2 4.13Å; L333-F342 HydrophobicContact CD2-CG 3.74Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.36Å; S338-F342 PolarHBondContact O-N 2.66Å; R339-F342 PolarHBondContact O-N 3.26Å; Q340-F342 VanDerWaalsContact C-N 3.33Å; Q340-F342 PolarHBondContact O-N 3.01Å; F342-E344 VanDerWaalsContact C-N 3.27Å; F342-E344 PolarHBondContact O-N 3.18Å; F342-W345 PolarHBondContact O-N 3.36Å; F342-A346 HydrophobicContact CD2-CB 4.42Å; F342-A346 HydrophobicContact CE1-CB 4.47Å; F342-A346 HydrophobicContact CE2-CB 4.09Å; F342-A346 HydrophobicContact CZ-CB 4.11Å; F342-A346 WeakPolarHBondContact O-CB 3.47Å; F342-A346 PolarHBondContact O-N 3.03Å; F342-I353 HydrophobicContact CD2-CD1 4.32Å; F342-I353 HydrophobicContact CD2-CG1 4.02Å; F342-I353 HydrophobicContact CD2-CG2 4.09Å; F342-I353 HydrophobicContact CE2-CG1 4.32Å; F342-L373 HydrophobicContact CD1-CD2 4.3Å; F342-L373 HydrophobicContact CE1-CD1 4.32Å; F342-L373 HydrophobicContact CE1-CD2 4.2Å; F342-L377 HydrophobicContact CD2-CD1 4.37Å; F342-L377 HydrophobicContact CE1-CD1 4.46Å; F342-L377 HydrophobicContact CE2-CD1 3.75Å; F342-L377 HydrophobicContact CE2-CD2 4.14Å; F342-L377 HydrophobicContact CZ-CD1 3.81Å; F342-L377 HydrophobicContact CZ-CD2 3.89Å; F342-L377 HydrophobicContact CZ-CG 4.47Å; F342-L401 HydrophobicContact CE1-CD2 3.66Å; F342-L401 HydrophobicContact CZ-CD2 3.6Å; F342-L403 HydrophobicContact CD1-CD2 4.07Å; F342-L403 HydrophobicContact CE1-CD2 4.28Å; F342-L685 HydrophobicContact CE2-CD1 4.26Å; F342-L685 HydrophobicContact CZ-CD1 4.06Å
343A94.8Very high94.8Very high6 Ų619.4 Ų19.45%0.0510%0.101CC..Hα-helixtrans-60.1-38178.300000112.2R339 Q340 L341 L403 L405 L424 I683R339-A343 PolarHBondContact O-N 3.4Å; Q340-A343 WeakPolarHBondContact O-CB 3.47Å; Q340-A343 PolarHBondContact O-N 2.98Å; L341-A343 VanDerWaalsContact C-N 3.35Å; L341-A343 PolarHBondContact O-N 2.8Å; A343-L403 HydrophobicContact CB-CD2 3.69Å; A343-L405 HydrophobicContact CB-CD2 4.08Å; A343-L424 HydrophobicContact CB-CD2 4.43Å; A343-I683 HydrophobicContact CB-CD1 4.06Å
344E94Very high95.1Very high32 Ų3219.3 Ų19.315%0.1510%0.101CC..Hα-helixtrans-76.1-33.6-179.7-166.7-173167.800113.6Q340 L341 F342 L424 K425 N426Q340-E344 PolarHBondContact O-N 3.1Å; Q340-E344 VanDerWaalsContact O-N 3.11Å; L341-E344 PolarHBondContact O-N 3.39Å; F342-E344 VanDerWaalsContact C-N 3.27Å; F342-E344 PolarHBondContact O-N 3.18Å; E344-L424 HydrophobicContact CB-CD2 4.21Å; E344-K425 WeakPolarHBondContact OE1-CB 3.33Å; E344-N426 PolarHBondContact O-ND2 3.46Å
345W96Very high95.5Very high9 Ų918.5 Ų18.53%0.03410%0.095CC..Hα-helixtrans-103.2-11.3-168.6-66.33.4000114.1N232 L234 K324 V326 L341 F342 N348 N351 I353N232-W345 HydrophobicContact CB-CD2 4.13Å; N232-W345 HydrophobicContact CB-CE3 3.84Å; N232-W345 HydrophobicContact CB-CH2 3.77Å; N232-W345 HydrophobicContact CB-CZ2 4.06Å; N232-W345 HydrophobicContact CB-CZ3 3.67Å; L234-W345 HydrophobicContact CB-CE3 3.87Å; L234-W345 HydrophobicContact CB-CZ3 3.93Å; K324-W345 HydrophobicContact CG-CH2 4.38Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CG2-CH2 3.65Å; V326-W345 HydrophobicContact CG2-CZ3 4.34Å; L341-W345 HydrophobicContact CD2-CH2 4.38Å; L341-W345 HydrophobicContact CD2-CZ2 3.85Å; L341-W345 VanDerWaalsContact O-CB 3.25Å; L341-W345 WeakPolarHBondContact O-CB 3.47Å; L341-W345 PolarHBondContact O-N 2.79Å; F342-W345 PolarHBondContact O-N 3.36Å; W345-N348 PolarHBondContact O-N 2.89Å; W345-N351 HydrophobicContact CB-CB 4.35Å; W345-N351 VanDerWaalsContact CB-ND2 3.34Å; W345-N351 WeakPolarHBondContact CB-ND2 3.19Å; W345-N351 PolarHBondContact O-ND2 3.48Å; W345-I353 HydrophobicContact CB-CD1 4.33Å
346A95.8Very high95.8Very high0 Ų018.6 Ų18.60%010%0.096CC..THydrogen-bonded Turntrans-68.3-31.7-176.400000114.4F342 N348 I683 L685 R686 C687F342-A346 HydrophobicContact CD2-CB 4.42Å; F342-A346 HydrophobicContact CE1-CB 4.47Å; F342-A346 HydrophobicContact CE2-CB 4.09Å; F342-A346 HydrophobicContact CZ-CB 4.11Å; F342-A346 WeakPolarHBondContact O-CB 3.47Å; F342-A346 PolarHBondContact O-N 3.03Å; A346-N348 PolarHBondContact O-N 3.45Å; A346-I683 HydrophobicContact CB-CG2 3.78Å; A346-L685 HydrophobicContact CB-CD1 4.15Å; A346-R686 PolarHBondContact O-N 3.47Å; A346-C687 PolarHBondContact O-N 3.3Å
347D95Very high95.6Very high52 Ų5219 Ų1928%0.27810%0.097SC..THydrogen-bonded Turntrans-87.939.6175.7-169.519.2000113I683 P684 R686D347-I683 HydrophobicContact CB-CG2 4.31Å; D347-P684 VanDerWaalsContact CA-O 3.29Å; D347-P684 WeakPolarHBondContact CA-O 3.24Å; D347-R686 WeakPolarHBondContact OD1-CD 3.31Å; D347-R686 IonicContact OD1-CZ 3.88Å; D347-R686 VanDerWaalsContact OD1-CZ 3.23Å; D347-R686 IonicContact OD1-NE 3.13Å; D347-R686 PolarHBondContact OD1-NE 2.91Å; D347-R686 IonicContact OD1-NH1 3.49Å; D347-R686 PolarHBondContact OD1-NH1 3.26Å; D347-R686 IonicContact OD2-NH1 3.71Å
348N95.8Very high94.8Very high44 Ų4420.2 Ų20.224%0.23510%0.103CC..  trans-142.2120.5173.2-175.1-23.7000109.7W345 A346 L350 N351 C687W345-N348 PolarHBondContact O-N 2.89Å; A346-N348 PolarHBondContact O-N 3.45Å; N348-L350 VanDerWaalsContact C-N 3.26Å; N348-L350 PolarHBondContact O-N 2.76Å; N348-L350 VanDerWaalsContact OD1-CB 3.29Å; N348-L350 WeakPolarHBondContact OD1-CB 3.32Å; N348-L350 PolarHBondContact OD1-N 3.04Å; N348-N351 HydrophobicContact CB-CB 4.35Å; N348-N351 WeakPolarHBondContact CB-ND2 3.06Å; N348-N351 PolarHBondContact O-N 2.71Å; N348-C687 WeakPolarHBondContact O-CA 3.45Å; N348-C687 WeakPolarHBondContact O-CB 3.3Å; N348-C687 PolarHBondContact O-N 3.25Å
349D96.2Very high93.3Very high90 Ų9022.3 Ų22.348%0.48111%0.113SC..THydrogen-bonded Turntrans-72.7-15.9-176.568.7-31.4000113.9R229 R686R229-D349 PolarHBondContact NH1-O 2.88Å; R229-D349 PolarHBondContact NH2-O 3.34Å; D349-R686 WeakPolarHBondContact CA-O 3.34Å; D349-R686 HydrophobicContact CB-CB 4.3Å
350L97.4Very high91.2Very high60 Ų6022.4 Ų22.431%0.31412%0.119SC..THydrogen-bonded Turntrans-76.3-30.7172.4-54.8-179000111.5R229 G231 N348R229-L350 HydrophobicContact CB-CD2 4.34Å; G231-L350 WeakPolarHBondContact CA-O 3.48Å; N348-L350 VanDerWaalsContact C-N 3.26Å; N348-L350 PolarHBondContact O-N 2.76Å; N348-L350 VanDerWaalsContact OD1-CB 3.29Å; N348-L350 WeakPolarHBondContact OD1-CB 3.32Å; N348-L350 PolarHBondContact OD1-N 3.04Å
351N98.2Very high89.2Confident4 Ų421.1 Ų21.12%0.02111%0.114CC..  trans-75.6157.5-174.6-69.7-15.9000112.4N232 W345 N348 C687 E688N232-N351 PolarHBondContact N-OD1 3.42Å; N232-N351 VanDerWaalsContact O-CA 3.3Å; N232-N351 WeakPolarHBondContact O-CA 3.38Å; W345-N351 HydrophobicContact CB-CB 4.35Å; W345-N351 VanDerWaalsContact CB-ND2 3.34Å; W345-N351 WeakPolarHBondContact CB-ND2 3.19Å; W345-N351 PolarHBondContact O-ND2 3.48Å; N348-N351 HydrophobicContact CB-CB 4.35Å; N348-N351 WeakPolarHBondContact CB-ND2 3.06Å; N348-N351 PolarHBondContact O-N 2.71Å; N351-C687 HydrophobicContact CB-CB 4.25Å; N351-E688 PolarHBondContact O-N 2.97Å
352T98.5Very high86.9Confident0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-135.2133.6177.1-58.30000111T222 S226 N232 V233 L234 I354 E688 V690T222-T352 HydrophobicContact CG2-CG2 3.95Å; S226-T352 WeakPolarHBondContact CB-OG1 2.98Å; S226-T352 WeakPolarHBondContact OG-CB 3.39Å; S226-T352 PolarHBondContact OG-OG1 3.24Å; N232-T352 PolarHBondContact O-N 3.1Å; V233-T352 CarbonylContact C-O 3.55Å; V233-T352 VanDerWaalsContact CA-O 3.31Å; V233-T352 WeakPolarHBondContact CA-O 3.39Å; L234-T352 PolarHBondContact N-O 2.93Å; T352-I354 HydrophobicContact CG2-CG1 4.04Å; T352-E688 CarbonylContact C-O 3.52Å; T352-E688 VanDerWaalsContact CA-O 3.24Å; T352-E688 WeakPolarHBondContact CA-O 3.46Å; T352-E688 HydrophobicContact CG2-CB 4.26Å; T352-E688 HydrophobicContact CG2-CG 4.48Å; T352-E688 WeakPolarHBondContact CG2-O 3.46Å; T352-V690 HydrophobicContact CG2-CG2 4.06Å
353I98.1Very high84.3Confident0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans-110.8116.8176.9-48.3-59.2000107.7L234 F342 W345 L355 C687 E688 V689 V690L234-I353 HydrophobicContact CB-CD1 3.69Å; L234-I353 HydrophobicContact CD2-CD1 4.02Å; L234-I353 HydrophobicContact CD2-CG2 4.29Å; L234-I353 HydrophobicContact CG-CD1 4.44Å; F342-I353 HydrophobicContact CD2-CD1 4.32Å; F342-I353 HydrophobicContact CD2-CG1 4.02Å; F342-I353 HydrophobicContact CD2-CG2 4.09Å; F342-I353 HydrophobicContact CE2-CG1 4.32Å; W345-I353 HydrophobicContact CB-CD1 4.33Å; I353-L355 HydrophobicContact CG2-CD2 4.09Å; I353-C687 HydrophobicContact CG1-CB 4.36Å; I353-C687 VanDerWaalsContact CG1-SG 3.56Å; I353-E688 PolarHBondContact N-O 3.46Å; I353-V689 WeakPolarHBondContact O-CA 3.37Å; I353-V690 PolarHBondContact O-N 2.66Å
354I97.8Very high81.7Confident0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-105.4119.7179.8-55.7-176.6000109L219 T222 V223 V233 L234 I235 A236 T352 T356 V690 L692L219-I354 HydrophobicContact CD1-CD1 3.67Å; L219-I354 HydrophobicContact CD1-CG2 4.34Å; T222-I354 HydrophobicContact CG2-CD1 3.93Å; T222-I354 HydrophobicContact CG2-CG1 4.41Å; V223-I354 HydrophobicContact CG2-CD1 4.06Å; V233-I354 HydrophobicContact CG1-CD1 3.69Å; V233-I354 HydrophobicContact CG1-CG1 3.99Å; L234-I354 PolarHBondContact O-N 3.02Å; I235-I354 WeakPolarHBondContact CA-O 3.2Å; I235-I354 HydrophobicContact CG1-CB 4.19Å; I235-I354 HydrophobicContact CG1-CD1 4.29Å; I235-I354 HydrophobicContact CG2-CB 4.3Å; I235-I354 HydrophobicContact CG2-CG2 4.3Å; A236-I354 PolarHBondContact N-O 3.43Å; T352-I354 HydrophobicContact CG2-CG1 4.04Å; I354-T356 HydrophobicContact CG2-CG2 4.44Å; I354-V690 CarbonylContact C-O 3.41Å; I354-V690 WeakPolarHBondContact CA-O 3.18Å; I354-L692 HydrophobicContact CG2-CB 4.24Å; I354-L692 HydrophobicContact CG2-CD1 3.87Å; I354-L692 HydrophobicContact CG2-CG 4.16Å
355L96.1Very high79Confident0 Ų033.8 Ų33.80%020%0.2CC..EExtended strand (participates in β ladder)trans-99.6131.5177.9-53.9175.4000109.1A236 L333 I353 I374 L377 I378 V689 V690 F691 L692A236-L355 HydrophobicContact CB-CD2 4.27Å; L333-L355 HydrophobicContact CD1-CD2 3.71Å; I353-L355 HydrophobicContact CG2-CD2 4.09Å; L355-I374 HydrophobicContact CB-CD1 4.14Å; L355-I374 HydrophobicContact CD1-CD1 3.76Å; L355-I374 HydrophobicContact CD2-CD1 3.59Å; L355-I374 HydrophobicContact CG-CD1 4.01Å; L355-L377 HydrophobicContact CD1-CB 3.6Å; L355-I378 HydrophobicContact CB-CG1 4.36Å; L355-I378 HydrophobicContact CD1-CG1 3.72Å; L355-V689 HydrophobicContact CD1-CG1 3.91Å; L355-V689 HydrophobicContact CG-CG1 4.43Å; L355-V690 PolarHBondContact N-O 2.9Å; L355-F691 HydrophobicContact CB-CD2 4.11Å; L355-F691 WeakPolarHBondContact O-CD2 3.36Å; L355-L692 PolarHBondContact O-N 3.41Å
356T94.5Very high76.2Confident6 Ų639.4 Ų39.44%0.03723%0.231CC..  trans-112.7-16.6-168.264.60000115.5I235 A236 V237 I354 L692 Y694I235-T356 HydrophobicContact CG2-CG2 3.53Å; A236-T356 WeakPolarHBondContact O-CG2 3.48Å; A236-T356 PolarHBondContact O-OG1 2.91Å; V237-T356 HydrophobicContact CG1-CG2 4.16Å; I354-T356 HydrophobicContact CG2-CG2 4.44Å; T356-L692 WeakPolarHBondContact CA-O 3.18Å; T356-Y694 PolarHBondContact O-N 3.38Å
357S87.7Confident73.3Confident12 Ų1247.4 Ų47.48%0.08427%0.269CS..  trans-130149.7-174.2-178.70000111.8E359 I378S357-E359 WeakPolarHBondContact OG-CB 3.29Å; S357-E359 WeakPolarHBondContact OG-CG 3.32Å; S357-E359 PolarHBondContact OG-N 2.99Å; S357-E359 PolarHBondContact OG-OE2 2.77Å; S357-I378 WeakPolarHBondContact O-CD1 3.47Å
358Q78.8Confident70.7Confident34 Ų3450.5 Ų50.516%0.15929%0.294CS..  trans-102.88.9172.4-63.3-175.970.100113S360 V361 F691Q358-S360 PolarHBondContact O-N 3.16Å; Q358-V361 HydrophobicContact CB-CG2 4.14Å; Q358-V361 PolarHBondContact O-N 2.95Å; Q358-F691 HydrophobicContact CG-CE1 4.25Å; Q358-F691 HydrophobicContact CG-CE2 3.69Å; Q358-F691 HydrophobicContact CG-CZ 3.35Å
359E62.2Low68.3Low43 Ų4351.6 Ų51.620%0.20131%0.306CS..THydrogen-bonded Turntrans-54.5-16.8-169.4-86.4175.5134.900115.4R67 S357 R697R67-E359 IonicContact NE-OE1 3.24Å; R67-E359 PolarHBondContact NH2-O 2.99Å; S357-E359 WeakPolarHBondContact OG-CB 3.29Å; S357-E359 WeakPolarHBondContact OG-CG 3.32Å; S357-E359 PolarHBondContact OG-N 2.99Å; S357-E359 PolarHBondContact OG-OE2 2.77Å; E359-R697 IonicContact OE1-NH2 3.99Å
360S50.7Low66.4Low38 Ų3852 Ų5227%0.26632%0.315SS..THydrogen-bonded Turntrans-119.313.9178.7-44.10000114.2Q358 I362 S372Q358-S360 PolarHBondContact O-N 3.16Å; S360-I362 PolarHBondContact O-N 2.96Å; S360-S372 PolarHBondContact O-OG 3.04Å
361V52Low64.9Low12 Ų1253.2 Ų53.27%0.07332%0.319CS..  trans-86108.9-177.6-171.70000110.6Q358 T363 I378Q358-V361 HydrophobicContact CB-CG2 4.14Å; Q358-V361 PolarHBondContact O-N 2.95Å; V361-T363 PolarHBondContact O-N 2.82Å; V361-I378 HydrophobicContact CG2-CB 4.38Å; V361-I378 HydrophobicContact CG2-CD1 3.42Å; V361-I378 VanDerWaalsContact CG2-CD1 3.42Å; V361-I378 HydrophobicContact CG2-CG1 4.46Å; V361-I378 HydrophobicContact CG2-CG2 4.4Å
362I48Very low64Low54 Ų5453.6 Ų53.628%0.27732%0.322SS..  trans-65.6124.4172-55.6172.7000108.5S360S360-I362 PolarHBondContact O-N 2.96Å
363T43.1Very low63.5Low62 Ų6254.9 Ų54.938%0.3833%0.329SS..  trans-114.967.1170.448.70000109.3V361V361-T363 PolarHBondContact O-N 2.82Å
364G40.3Very low63Low52 Ų5255 Ų5554%0.53633%0.33SS..SBendtrans-155.9139.3179.300000111.3D366G364-D366 PolarHBondContact O-N 2.8Å
365V36.2Very low62.4Low137 Ų13755.1 Ų55.183%0.8333%0.331SS*.  trans-78.524.5-162.8-175.60000113.9E367V365-E367 PolarHBondContact O-N 2.64Å
366D38.6Very low62Low128 Ų12857.2 Ų57.268%0.68434%0.338SS*.  trans-84.987.1176.3-76.2-19.3000110.3G364 S368G364-D366 PolarHBondContact O-N 2.8Å; D366-S368 PolarHBondContact O-N 3.39Å
367E35.1Very low61.8Low168 Ų16856.9 Ų56.979%0.78534%0.337SS*.THydrogen-bonded Turntrans-57.23.7179.1-71.1-166.6142.300115.1V365V365-E367 PolarHBondContact O-N 2.64Å
368S39.8Very low61.9Low117 Ų11756.3 Ų56.382%0.81833%0.333SS*.THydrogen-bonded Turntrans-118.80.4-171.153.90000116D366D366-S368 PolarHBondContact O-N 3.39Å
369S45.6Very low62.4Low67 Ų6757.5 Ų57.547%0.46934%0.336SS..SBendtrans-109.9133.2178.766.50000112.3Q371S369-Q371 PolarHBondContact O-N 3.47Å
370S54.8Low63.7Low98 Ų9856.9 Ų56.969%0.68533%0.334SS*.  trans-53.5101.3-174.1-47.50000111.8S372S370-S372 PolarHBondContact O-N 3.43Å
371Q67.2Low65.6Low85 Ų8556.4 Ų56.440%0.39733%0.332SS..  trans-57.6134.9177.1-71.5-179.113.700110.3S369S369-Q371 PolarHBondContact O-N 3.47Å
372S79.9Confident67.4Low13 Ų1361.3 Ų61.39%0.09135%0.349CS..  trans-61148.9175.564.40000110.2E39 S360 S370 I374 S375 R376E39-S372 VanDerWaalsContact OE2-CB 3.27Å; E39-S372 WeakPolarHBondContact OE2-CB 3.44Å; S360-S372 PolarHBondContact O-OG 3.04Å; S370-S372 PolarHBondContact O-N 3.43Å; S372-I374 VanDerWaalsContact C-N 3.28Å; S372-I374 PolarHBondContact O-N 2.85Å; S372-I374 WeakPolarHBondContact OG-CG2 3.11Å; S372-S375 PolarHBondContact N-OG 2.86Å; S372-S375 PolarHBondContact O-N 3.03Å; S372-S375 VanDerWaalsContact O-N 3.1Å; S372-S375 PolarHBondContact O-OG 2.85Å; S372-S375 VanDerWaalsContact OG-CB 3.28Å; S372-S375 WeakPolarHBondContact OG-CB 3.11Å; S372-S375 PolarHBondContact OG-N 3.25Å; S372-S375 PolarHBondContact OG-OG 2.62Å; S372-S375 VanDerWaalsContact OG-OG 3.13Å; S372-R376 PolarHBondContact O-N 2.71Å; S372-R376 VanDerWaalsContact O-N 3.13Å
373L86.5Confident69.3Low27 Ų2767.4 Ų67.414%0.14137%0.374CS..Hα-helixtrans-53-47.8-179.7171.661.8000111.5L333 F342 S375 R376 L377 L401 L403L333-L373 HydrophobicContact CB-CD2 4.03Å; F342-L373 HydrophobicContact CD1-CD2 4.3Å; F342-L373 HydrophobicContact CE1-CD1 4.32Å; F342-L373 HydrophobicContact CE1-CD2 4.2Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.45Å; L373-R376 WeakPolarHBondContact O-CB 3.19Å; L373-R376 PolarHBondContact O-N 3.16Å; L373-L377 HydrophobicContact CD1-CD1 3.96Å; L373-L377 HydrophobicContact CD1-CD2 4.45Å; L373-L377 HydrophobicContact CD1-CG 3.98Å; L373-L377 HydrophobicContact CG-CD1 3.97Å; L373-L377 HydrophobicContact CG-CG 4.37Å; L373-L377 WeakPolarHBondContact O-CG 3.32Å; L373-L377 PolarHBondContact O-N 2.87Å; L373-L401 HydrophobicContact CD1-CD1 4.28Å; L373-L401 HydrophobicContact CD1-CD2 3.75Å; L373-L401 HydrophobicContact CD1-CG 4.45Å; L373-L403 HydrophobicContact CD2-CD1 3.56Å
374I87.4Confident71.3Confident2 Ų267 Ų671%0.0137%0.369CS..Hα-helixtrans-59.8-42.8179.2-178.465.8000112.3S331 D332 L333 L355 S372 R376 L377 I378S331-I374 WeakPolarHBondContact O-CD1 3.23Å; D332-I374 HydrophobicContact CB-CG2 4.36Å; D332-I374 WeakPolarHBondContact O-CB 3.49Å; D332-I374 WeakPolarHBondContact O-CG2 3.29Å; L333-I374 HydrophobicContact CD1-CB 4.37Å; L333-I374 HydrophobicContact CD1-CD1 3.65Å; L355-I374 HydrophobicContact CB-CD1 4.14Å; L355-I374 HydrophobicContact CD1-CD1 3.76Å; L355-I374 HydrophobicContact CD2-CD1 3.59Å; L355-I374 HydrophobicContact CG-CD1 4.01Å; S372-I374 VanDerWaalsContact C-N 3.28Å; S372-I374 PolarHBondContact O-N 2.85Å; S372-I374 WeakPolarHBondContact OG-CG2 3.11Å; I374-R376 VanDerWaalsContact C-N 3.3Å; I374-R376 PolarHBondContact O-N 2.93Å; I374-L377 PolarHBondContact O-N 3.39Å; I374-I378 HydrophobicContact CD1-CD1 3.96Å; I374-I378 HydrophobicContact CD1-CG1 4.17Å; I374-I378 HydrophobicContact CG1-CD1 3.82Å; I374-I378 HydrophobicContact CG1-CG1 4.39Å; I374-I378 WeakPolarHBondContact O-CG1 3.49Å; I374-I378 PolarHBondContact O-N 3.4Å
375S84.9Confident73.1Confident3 Ų370.7 Ų70.72%0.02138%0.377CS..Hα-helixtrans-61-42.8178.771.20000111.1S372 L373 I378 R379S372-S375 PolarHBondContact N-OG 2.86Å; S372-S375 PolarHBondContact O-N 3.03Å; S372-S375 VanDerWaalsContact O-N 3.1Å; S372-S375 PolarHBondContact O-OG 2.85Å; S372-S375 VanDerWaalsContact OG-CB 3.28Å; S372-S375 WeakPolarHBondContact OG-CB 3.11Å; S372-S375 PolarHBondContact OG-N 3.25Å; S372-S375 PolarHBondContact OG-OG 2.62Å; S372-S375 VanDerWaalsContact OG-OG 3.13Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.45Å; S375-I378 PolarHBondContact O-N 3.22Å; S375-R379 VanDerWaalsContact O-CG 3.3Å; S375-R379 WeakPolarHBondContact O-CG 3.42Å; S375-R379 PolarHBondContact O-N 3.04Å
376R88Confident75.2Confident43 Ų4367.5 Ų67.516%0.16236%0.355CS..Hα-helixtrans-62.9-46.7176-172.4169.4-167.4143.811.9111.9S372 L373 I374 I378 R379 L380 A387 K389S372-R376 PolarHBondContact O-N 2.71Å; S372-R376 VanDerWaalsContact O-N 3.13Å; L373-R376 WeakPolarHBondContact O-CB 3.19Å; L373-R376 PolarHBondContact O-N 3.16Å; I374-R376 VanDerWaalsContact C-N 3.3Å; I374-R376 PolarHBondContact O-N 2.93Å; R376-I378 VanDerWaalsContact C-N 3.34Å; R376-I378 PolarHBondContact O-N 2.64Å; R376-R379 PolarHBondContact O-N 3.08Å; R376-L380 HydrophobicContact CG-CD1 4.34Å; R376-L380 WeakPolarHBondContact O-CG 3.4Å; R376-L380 PolarHBondContact O-N 2.77Å; R376-A387 VanDerWaalsContact CZ-O 3.32Å; R376-A387 PolarHBondContact NE-O 3.47Å; R376-A387 PolarHBondContact NH2-O 3.19Å; R376-K389 PolarHBondContact NH2-O 3.05Å
377L91.4Very high77.1Confident0 Ų061.4 Ų61.40%032%0.322CS..Hα-helixtrans-64.1-37.5179.6-66.8176.3000112.4L333 F342 L355 L373 I374 L380 A381 L401 L685 V689L333-L377 HydrophobicContact CD1-CD1 4.41Å; F342-L377 HydrophobicContact CD2-CD1 4.37Å; F342-L377 HydrophobicContact CE1-CD1 4.46Å; F342-L377 HydrophobicContact CE2-CD1 3.75Å; F342-L377 HydrophobicContact CE2-CD2 4.14Å; F342-L377 HydrophobicContact CZ-CD1 3.81Å; F342-L377 HydrophobicContact CZ-CD2 3.89Å; F342-L377 HydrophobicContact CZ-CG 4.47Å; L355-L377 HydrophobicContact CD1-CB 3.6Å; L373-L377 HydrophobicContact CD1-CD1 3.96Å; L373-L377 HydrophobicContact CD1-CD2 4.45Å; L373-L377 HydrophobicContact CD1-CG 3.98Å; L373-L377 HydrophobicContact CG-CD1 3.97Å; L373-L377 HydrophobicContact CG-CG 4.37Å; L373-L377 WeakPolarHBondContact O-CG 3.32Å; L373-L377 PolarHBondContact O-N 2.87Å; I374-L377 PolarHBondContact O-N 3.39Å; L377-L380 HydrophobicContact CD2-CD1 4.38Å; L377-L380 PolarHBondContact O-N 2.93Å; L377-A381 WeakPolarHBondContact O-CB 3.21Å; L377-A381 PolarHBondContact O-N 3.03Å; L377-L401 HydrophobicContact CD2-CD2 4.43Å; L377-L685 HydrophobicContact CD2-CD2 4.32Å; L377-V689 HydrophobicContact CB-CG1 4.21Å; L377-V689 HydrophobicContact CD2-CG2 4.45Å
378I89.9Confident79.2Confident0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-65.4-42.8174.9-70.3172000110.8L355 S357 V361 I374 S375 R376 L380 A381 R382 F691L355-I378 HydrophobicContact CB-CG1 4.36Å; L355-I378 HydrophobicContact CD1-CG1 3.72Å; S357-I378 WeakPolarHBondContact O-CD1 3.47Å; V361-I378 HydrophobicContact CG2-CB 4.38Å; V361-I378 HydrophobicContact CG2-CD1 3.42Å; V361-I378 VanDerWaalsContact CG2-CD1 3.42Å; V361-I378 HydrophobicContact CG2-CG1 4.46Å; V361-I378 HydrophobicContact CG2-CG2 4.4Å; I374-I378 HydrophobicContact CD1-CD1 3.96Å; I374-I378 HydrophobicContact CD1-CG1 4.17Å; I374-I378 HydrophobicContact CG1-CD1 3.82Å; I374-I378 HydrophobicContact CG1-CG1 4.39Å; I374-I378 WeakPolarHBondContact O-CG1 3.49Å; I374-I378 PolarHBondContact O-N 3.4Å; S375-I378 PolarHBondContact O-N 3.22Å; R376-I378 VanDerWaalsContact C-N 3.34Å; R376-I378 PolarHBondContact O-N 2.64Å; I378-L380 VanDerWaalsContact C-N 3.34Å; I378-A381 PolarHBondContact O-N 2.77Å; I378-R382 WeakPolarHBondContact O-CG 3.45Å; I378-R382 PolarHBondContact O-N 3.04Å; I378-F691 HydrophobicContact CD1-CD2 4Å; I378-F691 HydrophobicContact CD1-CE2 4.14Å; I378-F691 HydrophobicContact CG1-CD2 3.87Å; I378-F691 HydrophobicContact CG1-CE2 4.5Å; I378-F691 HydrophobicContact CG1-CG 4.43Å; I378-F691 HydrophobicContact CG2-CD2 4.26Å; I378-F691 HydrophobicContact CG2-CG 4.19Å
379R89.1Confident80.9Confident58 Ų5856.7 Ų56.722%0.21929%0.288CS..Hα-helixtrans-63.8-40.4176.3-66.7178.877170.58111.6S375 R376 R382 K383 D384 D386 A387S375-R379 VanDerWaalsContact O-CG 3.3Å; S375-R379 WeakPolarHBondContact O-CG 3.42Å; S375-R379 PolarHBondContact O-N 3.04Å; R376-R379 PolarHBondContact O-N 3.08Å; R379-R382 CarbonylContact O-C 3.58Å; R379-R382 PolarHBondContact O-N 2.88Å; R379-K383 PolarHBondContact O-N 3.11Å; R379-D384 HydrophobicContact CB-CB 4.09Å; R379-D384 IonicContact CZ-OD2 3.69Å; R379-D384 VanDerWaalsContact CZ-OD2 3.24Å; R379-D384 IonicContact NE-OD2 3.68Å; R379-D384 PolarHBondContact NE-OD2 2.97Å; R379-D384 IonicContact NH2-OD2 3.59Å; R379-D384 PolarHBondContact NH2-OD2 2.88Å; R379-D384 WeakPolarHBondContact O-CB 3.48Å; R379-D384 PolarHBondContact O-N 3.14Å; R379-D386 IonicContact NH2-OD2 2.96Å; R379-A387 HydrophobicContact CB-CB 3.53Å
380L89.4Confident82.5Confident31 Ų3161 Ų6116%0.16231%0.306CS..Hα-helixtrans-60.9-45.5172.1-71.5171.3000112R376 L377 I378 R382 K383 A387 L388 L685R376-L380 HydrophobicContact CG-CD1 4.34Å; R376-L380 WeakPolarHBondContact O-CG 3.4Å; R376-L380 PolarHBondContact O-N 2.77Å; L377-L380 HydrophobicContact CD2-CD1 4.38Å; L377-L380 PolarHBondContact O-N 2.93Å; I378-L380 VanDerWaalsContact C-N 3.34Å; L380-R382 PolarHBondContact O-N 2.92Å; L380-K383 WeakPolarHBondContact O-CA 3.34Å; L380-K383 PolarHBondContact O-N 3.17Å; L380-A387 HydrophobicContact CD2-CB 3.77Å; L380-A387 HydrophobicContact CG-CB 3.84Å; L380-L388 HydrophobicContact CD2-CD2 3.79Å; L380-L388 HydrophobicContact CD2-CG 3.87Å; L380-L685 HydrophobicContact CD1-CD2 3.76Å
381A91Very high83.8Confident27 Ų2757 Ų5722%0.22328%0.277CS..Hα-helixtrans-61.6-32.3176.600000112.5L377 I378 K383 V689 F691L377-A381 WeakPolarHBondContact O-CB 3.21Å; L377-A381 PolarHBondContact O-N 3.03Å; I378-A381 PolarHBondContact O-N 2.77Å; A381-K383 PolarHBondContact O-N 3.17Å; A381-V689 HydrophobicContact CB-CG1 4.19Å; A381-F691 HydrophobicContact CB-CB 3.97Å
382R89.5Confident84.6Confident116 Ų11656 Ų5644%0.43828%0.277SS..THydrogen-bonded Turntrans-79.5-0.7174.3-70.8177177.91741.6113.8I378 R379 L380 D384I378-R382 WeakPolarHBondContact O-CG 3.45Å; I378-R382 PolarHBondContact O-N 3.04Å; R379-R382 CarbonylContact O-C 3.58Å; R379-R382 PolarHBondContact O-N 2.88Å; L380-R382 PolarHBondContact O-N 2.92Å; R382-D384 PolarHBondContact O-N 3.45Å
383K86.8Confident84.9Confident182 Ų18259.8 Ų59.879%0.79130%0.3SS*.THydrogen-bonded Turntrans59.234.6-176-52.9-179.9179.4-179.30113R379 L380 A381 N385R379-K383 PolarHBondContact O-N 3.11Å; L380-K383 WeakPolarHBondContact O-CA 3.34Å; L380-K383 PolarHBondContact O-N 3.17Å; A381-K383 PolarHBondContact O-N 3.17Å; K383-N385 PolarHBondContact O-N 3.1Å
384D85.2Confident84.8Confident53 Ų5359.9 Ų59.928%0.28330%0.303SS..  trans-74.3118.2171.6-1770.2000109.5R379 R382 D386 A387R379-D384 HydrophobicContact CB-CB 4.09Å; R379-D384 IonicContact CZ-OD2 3.69Å; R379-D384 VanDerWaalsContact CZ-OD2 3.24Å; R379-D384 IonicContact NE-OD2 3.68Å; R379-D384 PolarHBondContact NE-OD2 2.97Å; R379-D384 IonicContact NH2-OD2 3.59Å; R379-D384 PolarHBondContact NH2-OD2 2.88Å; R379-D384 WeakPolarHBondContact O-CB 3.48Å; R379-D384 PolarHBondContact O-N 3.14Å; R382-D384 PolarHBondContact O-N 3.45Å; D384-D386 PolarHBondContact O-N 3.41Å; D384-D386 PolarHBondContact OD1-N 3.39Å; D384-D386 VanDerWaalsContact OD1-N 3.09Å; D384-A387 WeakPolarHBondContact O-CB 3.12Å; D384-A387 PolarHBondContact O-N 2.88Å; D384-A387 VanDerWaalsContact O-N 3.16Å
385N78.7Confident84.4Confident130 Ų13066.1 Ų66.170%0.69535%0.346SS*.G310 helixtrans-63.7-27.6-177.9-66.5-50.5000112.3K383 A387 L388K383-N385 PolarHBondContact O-N 3.1Å; N385-A387 PolarHBondContact O-N 2.93Å; N385-L388 PolarHBondContact O-N 3.3Å
386D79.5Confident84.2Confident69 Ų6970.7 Ų70.737%0.36937%0.374SS..G310 helixtrans-68.1-22.1179.1-73.4-30.8000112.3R379 D384 L388 K389R379-D386 IonicContact NH2-OD2 2.96Å; D384-D386 PolarHBondContact O-N 3.41Å; D384-D386 PolarHBondContact OD1-N 3.39Å; D384-D386 VanDerWaalsContact OD1-N 3.09Å; D386-L388 PolarHBondContact O-N 2.63Å; D386-K389 HydrophobicContact CB-CD 4.43Å; D386-K389 WeakPolarHBondContact O-CB 3.08Å; D386-K389 PolarHBondContact O-N 3.15Å; D386-K389 WeakPolarHBondContact OD1-CE 3.27Å; D386-K389 IonicContact OD1-NZ 3.33Å; D386-K389 PolarHBondContact OD1-NZ 3.33Å
387A78.8Confident83.9Confident1 Ų171.3 Ų71.31%0.00839%0.394CS..G310 helixtrans-71.9-16.2177.600000113.6R376 R379 L380 D384 N385R376-A387 VanDerWaalsContact CZ-O 3.32Å; R376-A387 PolarHBondContact NE-O 3.47Å; R376-A387 PolarHBondContact NH2-O 3.19Å; R379-A387 HydrophobicContact CB-CB 3.53Å; L380-A387 HydrophobicContact CD2-CB 3.77Å; L380-A387 HydrophobicContact CG-CB 3.84Å; D384-A387 WeakPolarHBondContact O-CB 3.12Å; D384-A387 PolarHBondContact O-N 2.88Å; D384-A387 VanDerWaalsContact O-N 3.16Å; N385-A387 PolarHBondContact O-N 2.93Å
388L79.8Confident83.7Confident78 Ų7872.5 Ų72.541%0.40840%0.401SS..G310 helixtrans-88-14.6174.1-71164000112.3L380 N385 D386 D390 L391 S399L380-L388 HydrophobicContact CD2-CD2 3.79Å; L380-L388 HydrophobicContact CD2-CG 3.87Å; N385-L388 PolarHBondContact O-N 3.3Å; D386-L388 PolarHBondContact O-N 2.63Å; L388-D390 PolarHBondContact O-N 3.45Å; L388-L391 PolarHBondContact O-N 3Å; L388-S399 VanDerWaalsContact CD2-OG 3.23Å; L388-S399 WeakPolarHBondContact CD2-OG 3.29Å
389K75.1Confident83.6Confident107 Ų10773.7 Ų73.747%0.46541%0.41SS..THydrogen-bonded Turntrans-57.6138.3174.6-74.1175.2170.5164.30109.6R376 D386 L391R376-K389 PolarHBondContact NH2-O 3.05Å; D386-K389 HydrophobicContact CB-CD 4.43Å; D386-K389 WeakPolarHBondContact O-CB 3.08Å; D386-K389 PolarHBondContact O-N 3.15Å; D386-K389 WeakPolarHBondContact OD1-CE 3.27Å; D386-K389 IonicContact OD1-NZ 3.33Å; D386-K389 PolarHBondContact OD1-NZ 3.33Å; K389-L391 PolarHBondContact O-N 3.38Å
390D78.7Confident83.7Confident159 Ų15972.3 Ų72.385%0.8541%0.406SS*.THydrogen-bonded Turntrans66.68.3-178.9-43.2-43.4000116.1L388L388-D390 PolarHBondContact O-N 3.45Å
391L83Confident83.7Confident14 Ų1471 Ų717%0.07340%0.4CS..  trans-92.2122.7173.6-137.884.5000111.2L388 K389 S399 I400 L401L388-L391 PolarHBondContact O-N 3Å; K389-L391 PolarHBondContact O-N 3.38Å; L391-S399 VanDerWaalsContact CD2-CB 3.42Å; L391-I400 WeakPolarHBondContact CD2-O 3.47Å; L391-I400 WeakPolarHBondContact CG-O 3.31Å; L391-L401 HydrophobicContact CD1-CD1 4.01Å
392P84Confident83.6Confident63 Ų6373.5 Ų73.541%0.40941%0.414SS..  trans-61142.3172.216.9-22.6000110.4I400P392-I400 HydrophobicContact CB-CB 4.41Å; P392-I400 WeakPolarHBondContact CD-O 3.3Å; P392-I400 HydrophobicContact CG-CB 4.08Å; P392-I400 HydrophobicContact CG-CG2 4.38Å; P392-I400 WeakPolarHBondContact O-CB 3.27Å; P392-I400 PolarHBondContact O-N 3.37Å
393T85.3Confident83.6Confident92 Ų9268.4 Ų68.456%0.56440%0.395SS*.BIsolated β-bridgetrans-111.5131.4176.4-11.10000108.9T398T393-T398 CarbonylContact C-O 3.53Å; T393-T398 WeakPolarHBondContact CA-O 3.45Å
394S84.5Confident83.7Confident30 Ų3062.4 Ų62.421%0.2137%0.374CS..  trans-65.5166.9173.373.90000110.9T396 G397 T398S394-T396 PolarHBondContact O-N 2.79Å; S394-T396 PolarHBondContact OG-N 2.79Å; S394-T396 PolarHBondContact OG-OG1 2.82Å; S394-G397 PolarHBondContact O-N 2.88Å; S394-T398 PolarHBondContact N-O 2.9Å; S394-T398 WeakPolarHBondContact OG-CB 3.38Å; S394-T398 PolarHBondContact OG-N 3.14Å; S394-T398 VanDerWaalsContact OG-N 3.09Å; S394-T398 PolarHBondContact OG-O 2.79Å
395S79.9Confident84Confident132 Ų13260.5 Ų60.592%0.92336%0.364SS*.THydrogen-bonded Turntrans-58.1-19.8171.953.90000113.9G397S395-G397 VanDerWaalsContact C-N 3.34Å
396T80.3Confident84.5Confident99 Ų9955.3 Ų55.361%0.60734%0.337SS*.THydrogen-bonded Turntrans-89.94.2175.960.60000113.3S394 T398S394-T396 PolarHBondContact O-N 2.79Å; S394-T396 PolarHBondContact OG-N 2.79Å; S394-T396 PolarHBondContact OG-OG1 2.82Å; T396-T398 VanDerWaalsContact C-N 3.27Å; T396-T398 PolarHBondContact O-N 3.37Å; T396-T398 PolarHBondContact OG1-OG1 3.19Å; T396-T398 VanDerWaalsContact OG1-OG1 3.08Å
397G82.5Confident84.8Confident56 Ų5653.7 Ų53.758%0.57733%0.327SS*.SBendtrans75.612.4-175.700000114S394 S395S394-G397 PolarHBondContact O-N 2.88Å; S395-G397 VanDerWaalsContact C-N 3.34Å
398T86.3Confident85.3Confident25 Ų2556.3 Ų56.315%0.15334%0.337CS..  trans-83.3130.9177-50.10000109.8T393 S394 T396 I400 P684 R686T393-T398 CarbonylContact C-O 3.53Å; T393-T398 WeakPolarHBondContact CA-O 3.45Å; S394-T398 PolarHBondContact N-O 2.9Å; S394-T398 WeakPolarHBondContact OG-CB 3.38Å; S394-T398 PolarHBondContact OG-N 3.14Å; S394-T398 VanDerWaalsContact OG-N 3.09Å; S394-T398 PolarHBondContact OG-O 2.79Å; T396-T398 VanDerWaalsContact C-N 3.27Å; T396-T398 PolarHBondContact O-N 3.37Å; T396-T398 PolarHBondContact OG1-OG1 3.19Å; T396-T398 VanDerWaalsContact OG1-OG1 3.08Å; T398-I400 PolarHBondContact O-N 3.49Å; T398-P684 HydrophobicContact CG2-CB 4.03Å; T398-R686 HydrophobicContact CG2-CG 3.71Å
399S88.3Confident85.5Confident25 Ų2553 Ų5318%0.17532%0.321CS..BIsolated β-bridgetrans-64.6126.6172.9-800000111.2L388 L391 L685L388-S399 VanDerWaalsContact CD2-OG 3.23Å; L388-S399 WeakPolarHBondContact CD2-OG 3.29Å; L391-S399 VanDerWaalsContact CD2-CB 3.42Å; S399-L685 PolarHBondContact O-N 2.79Å
400I90.4Very high85.9Confident29 Ų2949.4 Ų49.415%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-102.7111.9179.7-60.5174.8000109.1L391 P392 T398 P402 E682L391-I400 WeakPolarHBondContact CD2-O 3.47Å; L391-I400 WeakPolarHBondContact CG-O 3.31Å; P392-I400 HydrophobicContact CB-CB 4.41Å; P392-I400 WeakPolarHBondContact CD-O 3.3Å; P392-I400 HydrophobicContact CG-CB 4.08Å; P392-I400 HydrophobicContact CG-CG2 4.38Å; P392-I400 WeakPolarHBondContact O-CB 3.27Å; P392-I400 PolarHBondContact O-N 3.37Å; T398-I400 PolarHBondContact O-N 3.49Å; I400-P402 WeakPolarHBondContact O-CD 2.96Å; I400-E682 HydrophobicContact CG2-CB 3.68Å; I400-E682 HydrophobicContact CG2-CG 4.36Å
401L90Very high85.8Confident4 Ų443.8 Ų43.82%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-90.8118.1-177.5-17871.2000111.1F342 L373 L377 L391 L403 I683F342-L401 HydrophobicContact CE1-CD2 3.66Å; F342-L401 HydrophobicContact CZ-CD2 3.6Å; L373-L401 HydrophobicContact CD1-CD1 4.28Å; L373-L401 HydrophobicContact CD1-CD2 3.75Å; L373-L401 HydrophobicContact CD1-CG 4.45Å; L377-L401 HydrophobicContact CD2-CD2 4.43Å; L391-L401 HydrophobicContact CD1-CD1 4.01Å; L401-L403 PolarHBondContact O-N 2.96Å; L401-I683 PolarHBondContact N-O 3.26Å; L401-I683 PolarHBondContact O-N 3.41Å
402P88.7Confident85.3Confident80 Ų8047 Ų4752%0.51931%0.305SS..EExtended strand (participates in β ladder)trans-69.9124.4169.628.1-31.8000109.8I400 L681I400-P402 WeakPolarHBondContact O-CD 2.96Å; P402-L681 WeakPolarHBondContact CA-O 3.42Å
403L89.8Confident84.3Confident8 Ų849.4 Ų49.44%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-135.4124.2179.6-174.871.8000110.6F342 A343 L373 L401 L681 I683F342-L403 HydrophobicContact CD1-CD2 4.07Å; F342-L403 HydrophobicContact CE1-CD2 4.28Å; A343-L403 HydrophobicContact CB-CD2 3.69Å; L373-L403 HydrophobicContact CD2-CD1 3.56Å; L401-L403 PolarHBondContact O-N 2.96Å; L403-L681 PolarHBondContact N-O 3.28Å; L403-L681 WeakPolarHBondContact O-CA 3.32Å; L403-L681 WeakPolarHBondContact O-CB 3.34Å; L403-L681 PolarHBondContact O-N 3.35Å; L403-I683 HydrophobicContact CB-CD1 3.94Å; L403-I683 HydrophobicContact CB-CG1 4.46Å; L403-I683 HydrophobicContact CD2-CD1 3.5Å; L403-I683 VanDerWaalsContact CD2-CD1 3.5Å; L403-I683 HydrophobicContact CG-CD1 4.33Å
404T89.6Confident83.2Confident57 Ų5745.4 Ų45.435%0.3529%0.287SS..EExtended strand (participates in β ladder)trans-92.4100.5175.9-59.70000110.2R339 T678 H679 H680R339-T404 PolarHBondContact NH1-O 2.72Å; R339-T404 PolarHBondContact NH2-O 3.49Å; T404-T678 HydrophobicContact CG2-CG2 3.18Å; T404-H679 CarbonylContact C-O 3.56Å; T404-H679 VanDerWaalsContact CA-O 3.31Å; T404-H679 WeakPolarHBondContact CA-O 3.32Å; T404-H680 PolarHBondContact OG1-ND1 3.04Å; T404-H680 VanDerWaalsContact OG1-ND1 3.1Å
405L90.1Very high82Confident13 Ų1350.2 Ų50.27%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-95.2125.1179-175.667.7000111R339 Q340 A343 L424 H679 L681R339-L405 HydrophobicContact CG-CD1 4.45Å; Q340-L405 HydrophobicContact CG-CD1 4.27Å; A343-L405 HydrophobicContact CB-CD2 4.08Å; L405-L424 HydrophobicContact CD2-CD1 3.99Å; L405-H679 PolarHBondContact N-O 3.49Å; L405-H679 PolarHBondContact O-N 3.34Å; L405-L681 HydrophobicContact CB-CD1 3.84Å; L405-L681 HydrophobicContact CD2-CD1 4.21Å
406S89.4Confident80.9Confident20 Ų2054.6 Ų54.614%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-115139.1177.9-51.50000110.7S109 V677 T678S109-S406 WeakPolarHBondContact CB-O 3.3Å; S109-S406 WeakPolarHBondContact O-CB 3.27Å; S406-V677 WeakPolarHBondContact CA-O 3.42Å; S406-T678 WeakPolarHBondContact OG-CG2 3.23Å; S406-T678 PolarHBondContact OG-OG1 3.47Å
407Q86.8Confident79.6Confident35 Ų3551.8 Ų51.816%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-145.6144-179.761.6-178.9-21.100111.7A108 V409 P422 C676 V677 H679A108-Q407 CarbonylContact O-C 3.51Å; A108-Q407 WeakPolarHBondContact O-CA 3.47Å; Q407-V409 HydrophobicContact CG-CG1 4.25Å; Q407-P422 VanDerWaalsContact NE2-CD 3.29Å; Q407-P422 VanDerWaalsContact NE2-CG 3.32Å; Q407-C676 WeakPolarHBondContact O-CA 3.17Å; Q407-V677 PolarHBondContact N-O 2.92Å; Q407-V677 PolarHBondContact O-N 3.34Å; Q407-H679 PolarHBondContact NE2-NE2 3.21Å
408R88.2Confident77.9Confident56 Ų5653 Ų5321%0.21130%0.304CS..EExtended strand (participates in β ladder)trans-81.6121.2173.8-173.3170.6-73.1-90.5-3.9109.7H107 A108 E110 D111 T674 C676H107-R408 PolarHBondContact CE1-NE 2.98Å; H107-R408 PolarHBondContact O-NE 3.2Å; H107-R408 PolarHBondContact O-NH2 3.36Å; A108-R408 WeakPolarHBondContact O-CB 3.46Å; A108-R408 PolarHBondContact O-N 3.44Å; E110-R408 PolarHBondContact O-NH2 2.9Å; D111-R408 IonicContact OD1-CZ 2.71Å; D111-R408 IonicContact OD1-NH1 3.55Å; D111-R408 IonicContact OD1-NH2 3.5Å; D111-R408 PolarHBondContact OD1-NH2 3.1Å; R408-T674 WeakPolarHBondContact CD-OG1 3.32Å; R408-T674 HydrophobicContact CG-CG2 4.35Å; R408-T674 PolarHBondContact NH1-OG1 3.05Å; R408-T674 VanDerWaalsContact NH1-OG1 3.16Å; R408-C676 PolarHBondContact NH2-SG 2.98Å
409V85Confident75.9Confident10 Ų1056.8 Ų56.86%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-122.6153.1178.6-74.90000110.2Q407 A414 P422 T674 R675 V677Q407-V409 HydrophobicContact CG-CG1 4.25Å; V409-A414 HydrophobicContact CG2-CB 3.95Å; V409-P422 HydrophobicContact CG1-CG 4.4Å; V409-T674 CarbonylContact O-C 3.37Å; V409-T674 VanDerWaalsContact O-CA 3.3Å; V409-T674 WeakPolarHBondContact O-CA 3.31Å; V409-R675 PolarHBondContact N-O 2.71Å; V409-R675 PolarHBondContact O-N 3.3Å; V409-V677 HydrophobicContact CG2-CB 4.1Å; V409-V677 HydrophobicContact CG2-CG2 3.42Å; V409-V677 VanDerWaalsContact CG2-CG2 3.42Å
410S82.8Confident73.8Confident30 Ų3061.3 Ų61.321%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-66.4144.4173.165.20000110.4S412 Q413 A414S410-S412 PolarHBondContact O-N 3.46Å; S410-S412 PolarHBondContact OG-OG 3.47Å; S410-Q413 PolarHBondContact O-N 2.87Å; S410-Q413 WeakPolarHBondContact OG-CB 3.38Å; S410-Q413 VanDerWaalsContact OG-CD 3.25Å; S410-Q413 VanDerWaalsContact OG-CG 3.23Å; S410-Q413 WeakPolarHBondContact OG-CG 3.29Å; S410-Q413 PolarHBondContact OG-N 3.06Å; S410-Q413 PolarHBondContact OG-OE1 2.85Å; S410-Q413 VanDerWaalsContact OG-OE1 3.14Å; S410-A414 PolarHBondContact O-N 3.49Å
411C77.4Confident71.8Confident42 Ų4263.4 Ų63.428%0.28436%0.364SS..Hα-helixtrans-57.1-34.9-179.4-69.50000111.9Q413 A414 D415 N673C411-Q413 PolarHBondContact O-N 3.46Å; C411-A414 PolarHBondContact O-N 3.01Å; C411-D415 PolarHBondContact O-N 3.29Å; C411-N673 HydrophobicContact CB-CB 4.41Å; C411-N673 PolarHBondContact N-O 3.23Å; C411-N673 VanDerWaalsContact SG-C 3.55Å; C411-N673 PolarHBondContact SG-O 2.78Å; C411-N673 VanDerWaalsContact SG-O 3.36Å
412S72.6Confident69.4Low80 Ų8064.7 Ų64.756%0.55937%0.373SS*.Hα-helixtrans-68.2-29.3177.360.70000114.1S410S410-S412 PolarHBondContact O-N 3.46Å; S410-S412 PolarHBondContact OG-OG 3.47Å
413Q63.6Low67.4Low114 Ų11468.8 Ų68.853%0.53339%0.385SS..Hα-helixtrans-79.8-36.3173.4-75.1171.4-19.600111.8S410 C411 D415 R416 S417S410-Q413 PolarHBondContact O-N 2.87Å; S410-Q413 WeakPolarHBondContact OG-CB 3.38Å; S410-Q413 VanDerWaalsContact OG-CD 3.25Å; S410-Q413 VanDerWaalsContact OG-CG 3.23Å; S410-Q413 WeakPolarHBondContact OG-CG 3.29Å; S410-Q413 PolarHBondContact OG-N 3.06Å; S410-Q413 PolarHBondContact OG-OE1 2.85Å; S410-Q413 VanDerWaalsContact OG-OE1 3.14Å; C411-Q413 PolarHBondContact O-N 3.46Å; Q413-D415 VanDerWaalsContact C-N 3.32Å; Q413-D415 PolarHBondContact O-N 2.87Å; Q413-R416 PolarHBondContact O-N 2.95Å; Q413-S417 PolarHBondContact O-N 3.38Å; Q413-S417 VanDerWaalsContact O-N 3.11Å; Q413-S417 PolarHBondContact O-OG 2.84Å
414A60.7Low65.4Low8 Ų870.3 Ų70.37%0.06639%0.392CS..Hα-helixtrans-67.1-32.2-178.300000112.7V409 S410 C411 R416 R675 V677V409-A414 HydrophobicContact CG2-CB 3.95Å; S410-A414 PolarHBondContact O-N 3.49Å; C411-A414 PolarHBondContact O-N 3.01Å; A414-R416 VanDerWaalsContact C-N 3.31Å; A414-R675 HydrophobicContact CB-CG 4.4Å; A414-R675 VanDerWaalsContact CB-NH2 3.32Å; A414-V677 HydrophobicContact CB-CG2 4.49Å
415D59.5Low63.4Low131 Ų13173.1 Ų73.170%0.70140%0.4SS*.THydrogen-bonded Turntrans-76.3-19.5176.2-65.9-19.9000112.9C411 Q413C411-D415 PolarHBondContact O-N 3.29Å; Q413-D415 VanDerWaalsContact C-N 3.32Å; Q413-D415 PolarHBondContact O-N 2.87Å
416R57.1Low60.7Low225 Ų22576.6 Ų76.685%0.84942%0.418SS*.THydrogen-bonded Turntrans-89.7-21.9176-68.3-178.4-179.2-168.60.8113.2Q413 A414 G418Q413-R416 PolarHBondContact O-N 2.95Å; A414-R416 VanDerWaalsContact C-N 3.31Å; R416-G418 PolarHBondContact O-N 3.34Å
417S53.3Low57.9Low40 Ų4079.2 Ų79.228%0.2844%0.442SS..  trans-102.370.5-176.546.60000111Q413 S419Q413-S417 PolarHBondContact O-N 3.38Å; Q413-S417 VanDerWaalsContact O-N 3.11Å; Q413-S417 PolarHBondContact O-OG 2.84Å; S417-S419 PolarHBondContact O-N 3.25Å
418G45.7Very low55Low82 Ų8281.9 Ų81.985%0.84547%0.469SS*.SBendtrans-71.2-10.2171.300000114.4R416R416-G418 PolarHBondContact O-N 3.34Å
419S44.1Very low52.1Low104 Ų10489.4 Ų89.473%0.72750%0.504SS*.SBendtrans-161.2-13.5-177.355.10000115.3S417S417-S419 PolarHBondContact O-N 3.25Å
420D45.4Very low49.4Very low120 Ų12092.2 Ų92.264%0.64254%0.535SS*.  trans-90.9115.8-174.6-68.9-18.1000110.7P422D420-P422 VanDerWaalsContact O-CD 3.26Å; D420-P422 WeakPolarHBondContact O-CD 3.49Å
421I48.9Very low46.6Very low73 Ų73100.5 Ų100.537%0.37457%0.567SS.*  trans-62.1116.9177.1-55.5170.3000108.2H423 L424 L681I421-H423 PolarHBondContact O-N 3.28Å; I421-L424 HydrophobicContact CG2-CB 3.85Å; I421-L424 HydrophobicContact CG2-CD1 3.46Å; I421-L424 VanDerWaalsContact CG2-CD1 3.46Å; I421-L424 HydrophobicContact CG2-CG 4.21Å; I421-L681 HydrophobicContact CD1-CD2 4.4Å
422P39.7Very low44Very low31 Ų31103.9 Ų103.920%0.20159%0.591CS.*SBendtrans-66.8119.8175.9-13.126.1000109.5Q407 V409 D420 L424Q407-P422 VanDerWaalsContact NE2-CD 3.29Å; Q407-P422 VanDerWaalsContact NE2-CG 3.32Å; V409-P422 HydrophobicContact CG1-CG 4.4Å; D420-P422 VanDerWaalsContact O-CD 3.26Å; D420-P422 WeakPolarHBondContact O-CD 3.49Å; P422-L424 PolarHBondContact O-N 2.72Å
423H46.3Very low41.7Very low166 Ų166108.7 Ų108.777%0.76960%0.602SS**SBendtrans58.524.2163.5-61.9-69.8000119.5I421 K425I421-H423 PolarHBondContact O-N 3.28Å; H423-K425 PolarHBondContact O-N 3.4Å; H423-K425 VanDerWaalsContact O-N 3.16Å
424L46.2Very low39.8Very low39 Ų39108.6 Ų108.620%0.20461%0.614CS.*  trans-7992.7158.3-96.7142.4000108.5A343 E344 L405 I421 P422 N426 L681A343-L424 HydrophobicContact CB-CD2 4.43Å; E344-L424 HydrophobicContact CB-CD2 4.21Å; L405-L424 HydrophobicContact CD2-CD1 3.99Å; I421-L424 HydrophobicContact CG2-CB 3.85Å; I421-L424 HydrophobicContact CG2-CD1 3.46Å; I421-L424 VanDerWaalsContact CG2-CD1 3.46Å; I421-L424 HydrophobicContact CG2-CG 4.21Å; P422-L424 PolarHBondContact O-N 2.72Å; L424-N426 PolarHBondContact O-N 3.47Å; L424-L681 HydrophobicContact CD1-CD1 3.87Å
425K48Very low38.3Very low116 Ų116115.9 Ų115.950%0.50465%0.647SS.*THydrogen-bonded Turntrans-60.2-2.5-173.4-69.6-180179.1173.80115.4D318 E344 H423D318-K425 IonicContact OD1-NZ 3.68Å; D318-K425 PolarHBondContact OD1-NZ 3.39Å; D318-K425 IonicContact OD2-NZ 2.79Å; D318-K425 PolarHBondContact OD2-NZ 2.86Å; E344-K425 WeakPolarHBondContact OE1-CB 3.33Å; H423-K425 PolarHBondContact O-N 3.4Å; H423-K425 VanDerWaalsContact O-N 3.16Å
426N34.7Very low36.6Very low86 Ų86117.6 Ų117.646%0.4666%0.656SS.*THydrogen-bonded Turntrans-123.825.9-173-72.3-33.6000116E344 L424E344-N426 PolarHBondContact O-ND2 3.46Å; L424-N426 PolarHBondContact O-N 3.47Å
427A28.9Very low35.3Very low76 Ų76113 Ų11363%0.62865%0.653SS**SBendtrans-114.545.5170.700000113.4
428A27.1Very low34Very low90 Ų90119 Ų11974%0.74468%0.682SS**  trans17094.5154.800000112
429K26.6Very low33.2Very low215 Ų215120.6 Ų120.694%0.93568%0.681SS**  trans-102.390.8141.1-84.2-177.2179.7172.50106.4
430G28.7Very low32.5Very low69 Ų69122.4 Ų122.471%0.71169%0.687SS**  trans-57136.3-177.600000112.2S432G430-S432 PolarHBondContact O-N 3.04Å
431F24.6Very low31.6Very low204 Ų204124.1 Ų124.190%0.89570%0.695SS**  trans-46.2133.5162.2-91.5-100.6000110.7F433F431-F433 PolarHBondContact O-N 2.9Å; F431-F433 VanDerWaalsContact O-N 3.16Å
432S21.6Very low30.8Very low113 Ų113125.8 Ų125.879%0.7971%0.713SS**  trans-56.7112.7168.852.60000110.6G430G430-S432 PolarHBondContact O-N 3.04Å
433F25.9Very low30.2Very low180 Ų180131.7 Ų131.779%0.78974%0.743SS**  trans-100107.4154.4-122.9-87.6000107.9F431 Q435F431-F433 PolarHBondContact O-N 2.9Å; F431-F433 VanDerWaalsContact O-N 3.16Å; F433-Q435 HydrophobicContact CD1-CG 4.42Å; F433-Q435 PolarHBondContact O-N 3.32Å
434S23.3Very low29.5Very low112 Ų112128 Ų12878%0.78374%0.741SS**  trans-64.1108.5163.254.80000108.3
435Q28.8Very low28.7Very low161 Ų161131.6 Ų131.675%0.75277%0.768SS**  trans-117.7115.9156.8-77.3-165.7-6.400109F433 T437F433-Q435 HydrophobicContact CD1-CG 4.42Å; F433-Q435 PolarHBondContact O-N 3.32Å; Q435-T437 PolarHBondContact O-N 3.49Å
436N24.1Very low27.7Very low168 Ų168133 Ų13390%0.89878%0.781SS**  trans-51.2122.7165.8-80.8-26.6000110.2
437T29.1Very low27.4Very low127 Ų127136.8 Ų136.878%0.77980%0.796SS**  trans-136.3103.8153.354.40000108.9Q435 S439Q435-T437 PolarHBondContact O-N 3.49Å; T437-S439 PolarHBondContact O-N 3.36Å
438N26.5Very low27.5Very low166 Ų166139.3 Ų139.389%0.88880%0.798SS**  trans-63.1119.6155.2-80.2-23.4000107.6
439S29.1Very low27.5Very low117 Ų117141.7 Ų141.782%0.81880%0.799SS**  trans-106.8121.8163.651.30000108.9T437T437-S439 PolarHBondContact O-N 3.36Å
440T28.7Very low27.7Very low142 Ų142136.5 Ų136.587%0.87179%0.789SS**  trans-108.3137.3165.2-21.60000107.3
441I26.1Very low27.5Very low156 Ų156141.8 Ų141.880%0.880%0.795SS**  trans-71.6138.7-175.4-66.8156.1000111.3
442S32Very low27.8Very low107 Ų107139.2 Ų139.275%0.74880%0.797SS**  17611312759.60000113.2
443D28.7Very low28.2Very low156 Ų156142.6 Ų142.683%0.83480%0.8SS**  48.2125.1127.7-70.8-12.5000124
444A30.3Very low28.9Very low87 Ų87139.5 Ų139.572%0.71980%0.798SS**  108.2112.7117.100000121.2
445C30.2Very low29.2Very low116 Ų116137.9 Ų137.978%0.78480%0.799SS**  trans86105.1131.9-55.90000121.9
446D27.5Very low29.1Very low146 Ų146137.5 Ų137.578%0.78180%0.802SS**  52.4123115.7-69.6-18.2000123.7
447E27.9Very low29.4Very low165 Ų165136.8 Ų136.877%0.77180%0.797SS**  97.2126.5124.8-90.1-167177.600123.2
448L30.6Very low29.3Very low128 Ų128137.7 Ų137.767%0.6780%0.797SS**  trans97.5106.1140.9-67.2160.8000121.7
449N27.6Very low29.3Very low141 Ų141134.1 Ų134.175%0.75479%0.79SS**  70130.6123.6-76.9-5.8000124.2
450S30.1Very low29.3Very low105 Ų105135.9 Ų135.973%0.73480%0.796SS**  trans108.7111.5132.969.30000119.6
451E25.5Very low29.2Very low180 Ų180138.2 Ų138.284%0.84180%0.795SS**  trans54.6116.1131.9-58.5-174.2168.400120.2
452T31.4Very low29.1Very low150 Ų150135.9 Ų135.992%0.9279%0.788SS**  -170.2145.41079.10000114.3
453E30Very low29Very low185 Ų185138 Ų13886%0.86479%0.791SS**  trans-43.8173.5177.3-84.3-113.3143.600121.6
454P39Very low29.1Very low115 Ų115138.1 Ų138.175%0.74779%0.79SS**  trans-106.4174.1-154.941-32.1000115.4
455G29.2Very low29.1Very low78 Ų78139.7 Ų139.780%0.80479%0.793SS**  trans-158.6120.7173.900000114.9
456N26.7Very low29Very low153 Ų153142.3 Ų142.382%0.81880%0.796SS**  trans-53.9163.2169.3-99.6-28.2000114.3
457I31Very low29.6Very low153 Ų153140.3 Ų140.379%0.78579%0.791SS**  168.8120.7108.7-69145.6000111.1
458N28Very low29.6Very low145 Ų145138 Ų13878%0.77579%0.792SS**  trans29125.5144.4-62.8-17.5000124.7
459A26.6Very low29.5Very low92 Ų92136.3 Ų136.376%0.7680%0.797SS**  17.6133.6128.100000121.8
460T28Very low29.7Very low153 Ų153135.3 Ų135.394%0.93980%0.801SS**  trans-163160.5135.710.70000112.2
461F27.3Very low29.6Very low191 Ų191137.2 Ų137.284%0.83880%0.803SS**  trans-93.9-179.5-159.9-140.1-101.1000113.7
462T24.6Very low29.9Very low108 Ų108137 Ų13766%0.66381%0.806SS**  trans74.8131.2164.452.40000116.9
463D28.9Very low29.8Very low150 Ų150134.3 Ų134.380%0.80279%0.79SS**  -161157.651.2-89.8-49.1000114.5
464I30Very low29.9Very low160 Ų160133.9 Ų133.982%0.82179%0.787SS**  trans-104.7139.1158.1-64.6165000106.7
465P30.5Very low29.5Very low120 Ų120133.5 Ų133.578%0.77979%0.787SS**  -154.1151.411333.2-12000117
466M28.5Very low29.4Very low171 Ų171136.9 Ų136.984%0.84279%0.787SS**  trans-100.5175.9154.6-91.1-109.4-69.900108.4
467P39.6Very low29.4Very low104 Ų104135.6 Ų135.668%0.67578%0.784SS**  cis-142.4-168-229.9-4.4000116.1
468S29.3Very low29.1Very low115 Ų115133.4 Ų133.480%0.80478%0.783SS**  trans97.4152.5148.776.90000118.1
469A28Very low29.7Very low94 Ų94132.1 Ų132.178%0.77778%0.782SS**  cis175.1140.5-31.700000104.5
470S32.2Very low29.6Very low120 Ų120136.1 Ų136.184%0.83979%0.785SS**  trans-164.7124155.556.10000112.4
471D27.5Very low29.5Very low145 Ų145135.2 Ų135.278%0.77578%0.779SS**  trans-70.2158.3176.7-61.8-60000114.9
472I32.1Very low29.6Very low175 Ų175130.3 Ų130.390%0.89777%0.774SS**  trans-136133.5139.1-61.7-177.2000108.1
473T28.9Very low29.8Very low94 Ų94134.7 Ų134.758%0.57779%0.787SS**  trans-106.9173.2-164.645.10000115.1
474H31.9Very low29.8Very low176 Ų176130.6 Ų130.682%0.81578%0.78SS**  trans93.3129.9162.9-59.4-71000116.3
475S30Very low29.9Very low106 Ų106131.4 Ų131.474%0.74178%0.784SS**  cis-165.8135.212.7460000107
476D27Very low29.8Very low150 Ų150132.8 Ų132.880%0.80278%0.784SS**  105.4138.160.2-1433.2000112.3
477V28Very low29.9Very low125 Ų125131.4 Ų131.476%0.75878%0.776SS**  trans90.5126.1159.9-161.60000122.1
478S24.5Very low29.4Very low108 Ų108134.4 Ų134.476%0.75578%0.778SS**  trans-119.8175.5153.1-68.30000108.2
479P39.4Very low29.1Very low118 Ų118136.7 Ų136.777%0.76678%0.776SS**  cis-132.5-175.8-28.230.8-8.7000113.9
480Q24.9Very low29.3Very low175 Ų175137.8 Ų137.882%0.81878%0.775SS**  trans117.7123.5151.1-68.4-160.4-7.900120.8
481V26.5Very low28.9Very low134 Ų134135.9 Ų135.981%0.81276%0.762SS**  trans62.4115.4140.1-175.50000120.7
482A29.1Very low28.9Very low89 Ų89135.5 Ų135.574%0.73677%0.769SS**  170.7141115.100000113.2
483E29.8Very low28.7Very low200 Ų200134.1 Ų134.194%0.93576%0.764SS**  trans-1.1146.4150.3-53.2-177.7157.600118.5
484G27.3Very low28.5Very low64 Ų64134.7 Ų134.766%0.6677%0.772SS**  cis155.4176.519.500000108
485I32Very low28.3Very low177 Ų177135.6 Ų135.691%0.90878%0.776SS**  trans92.7132178.7-50.3168.2000113.8
486L30Very low28.2Very low149 Ų149138.9 Ų138.978%0.7878%0.784SS**  cis-179.6157-19.3-175.371000105.3
487E29Very low28.4Very low141 Ų141141 Ų14166%0.65979%0.789SS**  trans89127.7171.2-56.1-153.2154.100116.2
488K30.1Very low28.4Very low168 Ų168142.3 Ų142.373%0.7379%0.792SS**  cis-160134.70.6-114.2165.6-174.4141.10107.7
489Q23.5Very low28.5Very low162 Ų162145.5 Ų145.576%0.75780%0.795SS**  trans-73.7175.7165.6-106.1-156.57.700110.4
490P31.2Very low28Very low117 Ų117144.9 Ų144.976%0.7679%0.794SS**  cis-151.5156.341.138.4-15.1000120.1
491S24.4Very low28.2Very low81 Ų81143.1 Ų143.157%0.56680%0.795SS**PPolyproline II helixtrans-74.4138.9148.9470000110.5
492C27.9Very low28.3Very low136 Ų136143.4 Ų143.492%0.91980%0.801SS**PPolyproline II helixtrans-87.9136.2169.7-119.80000111
493N27.3Very low28.3Very low146 Ų146142.6 Ų142.678%0.78180%0.802SS**PPolyproline II helixtrans-85.5163.7-179.2-81.5-27.3000113
494S25Very low28.4Very low107 Ų107139 Ų13975%0.74880%0.799SS**PPolyproline II helixtrans-46.9141.9160.252.40000115.5
495E27.9Very low28.4Very low195 Ų195143.3 Ų143.391%0.91181%0.807SS**  trans-129.5128149.9-80.7-176.615800109.9
496L28.6Very low28.3Very low174 Ų174145.5 Ų145.591%0.91180%0.804SS**  trans-91.6121.9161.1-88.7151.2000106.4
497E29.3Very low28.4Very low194 Ų194144.1 Ų144.191%0.90780%0.804SS**  trans-139.7140.5152.2-79.9-161155.800110.7
498N28.4Very low28.6Very low154 Ų154147.7 Ų147.782%0.82481%0.812SS**  trans-92.1154.6-176.2-107.4-17.9000111
499E28Very low28.6Very low175 Ų175142.9 Ų142.982%0.81881%0.811SS**  trans64.2107.7154.4-64.6-168.5162.100120.2
500S29.1Very low28.7Very low105 Ų105140.9 Ų140.973%0.73482%0.815SS**  164.5129.79254.10000113.7
501T28.9Very low28.6Very low137 Ų137144.7 Ų144.784%0.8482%0.822SS**  trans56.4116.1144.149.90000122.8
502C28.6Very low28.8Very low140 Ų140150.5 Ų150.595%0.94684%0.84SS**  trans131.2119.7131.5-145.70000109.2
503G28.9Very low28.8Very low72 Ų72147.5 Ų147.574%0.74283%0.833SS**  cis153.9119.48.400000106.4
504S31.9Very low28.8Very low126 Ų126146.9 Ų146.988%0.88183%0.834SS**  trans-173.6101.9145-161.70000109.8
505N27.5Very low29Very low153 Ų153151 Ų15182%0.81884%0.842SS**  trans-73.3142.8169-78.5-32.9000111
506R29.6Very low29Very low224 Ų224148.5 Ų148.585%0.84583%0.833SS**  trans-151.1106.6138-100.5-176.7-176-174.90.9108.3
507P31.2Very low28.9Very low120 Ų120147.3 Ų147.378%0.77982%0.823SS**  -130.1134.8123.830.8-18.1000110.2
508Y33.1Very low28.8Very low215 Ų215146.3 Ų146.384%0.84382%0.815SS**PPolyproline II helixtrans-77.2125.1177.1-102.2-88.7000109.9
509G29.8Very low28.6Very low67 Ų67144 Ų14469%0.69181%0.811SS**PPolyproline II helixtrans-78.8164.2175.200000113.6
510S25.7Very low28.5Very low121 Ų121145.8 Ų145.885%0.84682%0.816SS**PPolyproline II helixtrans-61.3137.116446.30000112.9
511E29.9Very low28.2Very low196 Ų196145.5 Ų145.592%0.91681%0.814SS**  trans-123.3131.1147.4-84.8-166.8160.900109.3
512E27.3Very low27.9Very low203 Ų203146.9 Ų146.995%0.94982%0.815SS**  trans-72141.3164.9-69.2176.7136.100110
513G29.2Very low27.5Very low74 Ų74144.8 Ų144.876%0.76380%0.802SS**  trans-173.780.5177.600000111.7
514T27.7Very low27.1Very low132 Ų132149 Ų14981%0.8181%0.807SS**  trans-7.7123.716050.70000118.2
515H29Very low26.6Very low194 Ų194148.9 Ų148.990%0.89880%0.801SS**  -158.8143.7129.2-111.9-78.1000112.2
516I28.1Very low26.3Very low143 Ų143149 Ų14973%0.73380%0.801SS**  trans-86.9155.8-167.6-75.5162.8000112
517E25.6Very low26Very low148 Ų148143.8 Ų143.869%0.69280%0.799SS**  trans68.2131.1166.3-82.4179.7-158.200116.1
518K27.5Very low25.7Very low173 Ų173144.4 Ų144.475%0.75280%0.8SS**  cis-163.1150.232.1-118.1156.5179.2135.80112
519S23.8Very low25.5Very low105 Ų105140.2 Ų140.273%0.73480%0.8SS**  trans-43.1145.6166.748.60000117.6
520K26.3Very low25.3Very low214 Ų214148.1 Ų148.193%0.9381%0.808SS**  trans-143.4108.7141.5-87.1-169.7179.31770111.8
521S21.8Very low25.4Very low98 Ų98148.8 Ų148.869%0.68580%0.803SS**  trans-93.7147.3144.555.20000108.5
522L23.2Very low25.4Very low166 Ų166146.9 Ų146.987%0.86979%0.793SS**  166.4155.4125.1-88162000113.3
523S21.2Very low25.5Very low96 Ų96142.3 Ų142.367%0.67178%0.784SS**  trans-81.3167.4-171.348.50000116.8
524L20.9Very low25.4Very low161 Ų161148.9 Ų148.984%0.84379%0.791SS**  trans3.6136.4150.5-71.6150.1000119.4
525T21.2Very low25.4Very low124 Ų124152 Ų15276%0.76179%0.794SS**  165.6149.2105.3-44.40000111.7
526L20.9Very low25.4Very low154 Ų154149 Ų14981%0.80679%0.79SS**  trans-17.2142.5172.6-75.299.9000120.7
527S22.3Very low25.5Very low116 Ų116149.1 Ų149.181%0.81179%0.79SS**  162.5145.1104.946.20000113.6
528V25.1Very low25.6Very low132 Ų132148 Ų14880%0.879%0.793SS**  trans-107.8146.7165.91760000106.1
529P28.9Very low25.9Very low128 Ų128145.4 Ų145.483%0.83179%0.794SS**  -149.1169.4102.431.8-9.6000116.9
530R25Very low26Very low232 Ų232145 Ų14588%0.87579%0.791SS**  trans-69.4156.3-176.1-69.3167.7162.5158.9-5.1116
531D28Very low26Very low136 Ų136142.1 Ų142.173%0.72779%0.786SS**  trans-161.6145.3135.3-100.2-28.6000106.7
532H31.3Very low26.4Very low155 Ų155143.2 Ų143.272%0.71879%0.788SS**  cis-154.314513.4-89.7-46.8000111
533S28.8Very low26.6Very low107 Ų107140.8 Ų140.875%0.74878%0.78SS**  trans22.7127.114667.10000122.9
534K27.9Very low26.9Very low212 Ų212146.5 Ų146.592%0.92279%0.787SS**  -153.2123.2106.9-105.3177.8-173.8179.30111
535K26.8Very low27.2Very low197 Ų197146 Ų14686%0.85779%0.785SS**  trans-82.3141.9170-75.3173.3171.6176.40109.7
536T29Very low27.5Very low133 Ų133149.5 Ų149.582%0.81679%0.79SS**  trans-15090.5147-46.30000105.4
537I29.5Very low28Very low144 Ų144147.1 Ų147.174%0.73878%0.784SS**  55.5104.2105.4-55.9172.4000112.6
538V29.4Very low28.1Very low126 Ų126150.4 Ų150.476%0.76478%0.783SS**  trans-99.9152.1145.7-1750000105.8
539P32.6Very low28.2Very low118 Ų118150.1 Ų150.177%0.76678%0.782SS**  -141.4136.3115.533.6-18.2000113
540S25.3Very low28.2Very low95 Ų95149.7 Ų149.766%0.66478%0.78SS**  trans-76.3134.9155.947.20000109.6
541N27.3Very low28.5Very low155 Ų155145.8 Ų145.883%0.82978%0.775SS**  trans-174.5142134-100.3-10.9000112.8
542T30.5Very low28.7Very low120 Ų120144.6 Ų144.674%0.73678%0.775SS**  trans11587.6146.2-33.40000117.4
543T26.7Very low28.4Very low115 Ų115144.1 Ų144.171%0.70678%0.777SS**  48.5118.7117.9-20.60000119.6
544R28.2Very low28.3Very low217 Ų217145.9 Ų145.982%0.81978%0.778SS**  157.4131.5108.6-89.8-169.6-174.2-172.72.5114.4
545L27.3Very low28.3Very low150 Ų150142.9 Ų142.979%0.78577%0.769SS**  trans84104.9140-62.7161.4000121.2
546F26.1Very low28.4Very low198 Ų198140.9 Ų140.987%0.86876%0.763SS**  -69.3157.3124.4-83.4-74.9000108.6
547P32.2Very low28.3Very low104 Ų104141.4 Ų141.468%0.67576%0.756SS**  -155.5172.457.138.4-14.7000118.8
548K25.2Very low28.3Very low185 Ų185144 Ų14480%0.80476%0.763SS**  trans26.4139.2137.8-54.8176.8177.1179.60118
549T27.1Very low28.2Very low125 Ų125140.9 Ų140.977%0.76776%0.755SS**  179.3150.574.619.70000113.9
550C27.7Very low27.8Very low119 Ų119141.4 Ų141.480%0.80476%0.756SS**  trans83.5120136.9-670000123.5
551I31.4Very low28Very low150 Ų150142.2 Ų142.277%0.76976%0.757SS**  trans-68.2159150.9-44.5168.2000109.2
552P32.9Very low28Very low112 Ų112141.4 Ų141.473%0.72775%0.753SS**  -143.214594.818.55.9000114.2
553L25.5Very low27.8Very low145 Ų145142.3 Ų142.376%0.75975%0.753SS**  51.7134.598-61.6163.4000113.7
554N25.7Very low28.1Very low144 Ų144144.4 Ų144.477%0.7775%0.754SS**  cis-177.7177.232.2-128.4-6.3000111.2
555M29Very low27.9Very low148 Ų148142.5 Ų142.573%0.72976%0.759SS**  trans109.7106.3162.4-75.5173.169.200113.7
556E28.9Very low28.2Very low155 Ų155140.4 Ų140.472%0.72475%0.753SS**  128.1154.766.2-100.5-177-173.700103.9
557Q25.2Very low28.5Very low145 Ų145136.4 Ų136.468%0.67875%0.749SS**  cis-179.6162.4-26.1-130.6-174.41000103.7
558F29.6Very low28.2Very low199 Ų199135.1 Ų135.187%0.87376%0.755SS**  trans74.9138.6175.6-55.6-83.3000116.7
559G27.4Very low28.3Very low59 Ų59137.6 Ų137.661%0.60876%0.76SS**  cis167138.52.300000109.2
560V25.8Very low28.6Very low130 Ų130140.9 Ų140.979%0.78877%0.766SS**  trans56.8114.2133.2-165.10000119.4
561T28.7Very low28.5Very low111 Ų111144.3 Ų144.368%0.68177%0.77SS**  trans81125.9141.2610000123.1
562N26.5Very low28.4Very low138 Ų138142 Ų14274%0.73877%0.774SS**  93.2132.2126.3-83.4-25.4000121.6
563L27.8Very low28.3Very low140 Ų140140.3 Ų140.373%0.73378%0.776SS**  trans79.197.9145-68151.6000118.1
564H31.3Very low28.5Very low158 Ų158144 Ų14473%0.73178%0.782SS**  -176.4111.586.6-119-80.2000110.9
565L24.5Very low28.7Very low177 Ų177144.3 Ų144.393%0.92778%0.784SS**  trans-111.7115.2162.5-94.9159.2000106.6
566T33.5Very low29.1Very low107 Ų107144.8 Ų144.866%0.65679%0.787SS**  trans-139104.7162.953.30000110
567S33.5Very low29.4Very low113 Ų113145.6 Ų145.679%0.7979%0.785SS**  trans48.5101.8131.257.90000120
568G25.9Very low30.2Very low78 Ų78144 Ų14480%0.80479%0.787SS**  71.197.597.500000119.3
569R26.9Very low30.4Very low237 Ų237138.1 Ų138.189%0.89478%0.783SS**  trans-175.7121.9134.3-107.8-179.8-180-179.60.8108.1
570H32.6Very low30.8Very low194 Ų194142.5 Ų142.590%0.89879%0.792SS**  trans178.5104.6144.9-93.2-65.5000110.4
571Q26.3Very low31.3Very low190 Ų190145.1 Ų145.189%0.88880%0.795SS**  trans-81.8154.5136.2-78.3175.8-27.100106
572A29.3Very low31.5Very low103 Ų103145.8 Ų145.885%0.85179%0.794SS**  cis-152.2161.2-100000106.3
573G31.1Very low32.1Very low76 Ų76148 Ų14878%0.78480%0.801SS**  trans171.495.2169.900000113.5
574Y29.3Very low32.6Very low221 Ų221146.6 Ų146.687%0.86781%0.809SS**  trans-73.8156.6161.7-73.1-94.8000110.2
575D30.2Very low32.7Very low152 Ų152142.9 Ų142.981%0.81381%0.813SS**  trans75117164.2-54-25.3000119.4
576I37.9Very low33Very low158 Ų158138 Ų13881%0.8181%0.806SS**  trans-139.3122163-54.4178.4000110.1
577Y34.3Very low33.2Very low171 Ų171142.4 Ų142.467%0.67182%0.819SS**  trans-135.3158.2153.4-91.7-89.8000109.6L597Y577-L597 HydrophobicContact CD2-CD2 3.8Å; Y577-L597 HydrophobicContact CE1-CD2 4.06Å; Y577-L597 HydrophobicContact CE2-CD2 3.07Å; Y577-L597 WeakPolarHBondContact OH-CD2 3.28Å
578P41.4Very low33.3Very low111 Ų111146.7 Ų146.772%0.72182%0.824SS**  -110.4156.1-126.639.2-34.2000115
579G35Very low33.9Very low77 Ų77152.4 Ų152.479%0.79483%0.827SS**  trans-83.8141.1175.800000114
580L34.8Very low34.2Very low150 Ų150153.5 Ų153.579%0.78583%0.831SS**  trans-54.8145.7179-75.787.5000114.9
581H37.3Very low34.5Very low186 Ų186150.1 Ų150.186%0.86182%0.824SS**  trans-134.4115.3136.7-153.974.9000110
582N33.3Very low34.8Very low124 Ų124145.8 Ų145.866%0.66382%0.821SS**  trans-77137.3169.8-87.3-28.2000109.6
583Q38.2Very low35.1Very low186 Ų186150.1 Ų150.187%0.86982%0.82SS**  -178.3130.3121.2-97.9175.124.900113.2
584A37.5Very low35.4Very low109 Ų109157.1 Ų157.190%0.90182%0.823SS**  trans67.4120.7148.800000121.6
585G34.8Very low35.9Very low80 Ų80153.1 Ų153.183%0.82582%0.822SS**  trans139.695.6157.900000113.5
586G31.1Very low36.3Very low76 Ų76153.7 Ų153.778%0.78482%0.82SS**  trans-78.2157.3-174.400000115.5
587Q36.1Very low36Very low198 Ų198152.4 Ų152.493%0.92581%0.814SS**  -177.6151.5127.8-97.9-179.511.300111
588F35.4Very low36.3Very low203 Ų203150.7 Ų150.789%0.8982%0.815SS**  trans-64.9126.7-169.8-83-116.5000113.8
589F39.1Very low36.1Very low198 Ų198154.3 Ų154.387%0.86882%0.82SS**  trans167.3101.5136.2-96.5-73.2000107.9V591F589-V591 PolarHBondContact O-N 2.9Å
590R34.4Very low36.5Very low260 Ų260157 Ų15798%0.98182%0.823SS**  trans-79.195.9172.9-87.9-175.5174.6172.6-1.3109.5
591V37.4Very low36.8Very low123 Ų123157 Ų15775%0.74582%0.82SS**  trans-98.6114.1152.1176.70000106.7F589 K593F589-V591 PolarHBondContact O-N 2.9Å; V591-K593 PolarHBondContact O-N 3.47Å
592A34.1Very low37.4Very low100 Ų100155.9 Ų155.983%0.82682%0.82SS**  trans-67.594.8177.800000110.2R594A592-R594 PolarHBondContact O-N 3.22Å
593K35Very low38.1Very low193 Ų193157.8 Ų157.884%0.83983%0.825SS**  trans-76.3106.6162.3-91.7-175.2174.2-1790108.6V591 T595V591-K593 PolarHBondContact O-N 3.47Å; K593-T595 PolarHBondContact O-N 2.7Å
594R38.2Very low39.3Very low224 Ų224157.1 Ų157.185%0.84582%0.819SS**  trans-58.6113161.7-85.6178.8168.4167.3-4.3108.4A592 Q596A592-R594 PolarHBondContact O-N 3.22Å; R594-Q596 PolarHBondContact O-N 2.87Å
595T38.4Very low40.4Very low137 Ų137162 Ų16284%0.8482%0.82SS**  trans-75.3113.716743.90000108.8K593K593-T595 PolarHBondContact O-N 2.7Å
596Q39.1Very low42Very low164 Ų164163.5 Ų163.577%0.76681%0.808SS**  trans-86.2137.3169.7-74.9175-15.900109.6R594 L598R594-Q596 PolarHBondContact O-N 2.87Å; Q596-L598 PolarHBondContact O-N 3.33Å
597L31.9Very low43.9Very low131 Ų131166.8 Ų166.869%0.68680%0.802SS**  trans-62.7115.5171.4-58.9166.3000107.7Y577Y577-L597 HydrophobicContact CD2-CD2 3.8Å; Y577-L597 HydrophobicContact CE1-CD2 4.06Å; Y577-L597 HydrophobicContact CE2-CD2 3.07Å; Y577-L597 WeakPolarHBondContact OH-CD2 3.28Å
598L39.7Very low45.9Very low134 Ų134165.2 Ų165.270%0.70279%0.788SS**  trans-109.7121.3-179.9-135.792.1000108.9Q596Q596-L598 PolarHBondContact O-N 3.33Å
599F37.2Very low48.2Very low188 Ų188159.7 Ų159.783%0.82577%0.768SS**  trans-55.5145.8153-77-90.8000108.2Q601F599-Q601 VanDerWaalsContact C-N 3.25Å; F599-Q601 PolarHBondContact O-N 3.45Å
600P43Very low50.1Low132 Ų132158.2 Ų158.286%0.85776%0.763SS**  trans-72.785.3177.430.4-31.7000109.1
601Q42.5Very low51.7Low152 Ų152155.2 Ų155.271%0.7175%0.754SS**  trans-83.9113.9164.4-171.7172.9-7.500107.6F599 E603F599-Q601 VanDerWaalsContact C-N 3.25Å; F599-Q601 PolarHBondContact O-N 3.45Å; Q601-E603 PolarHBondContact O-N 2.98Å
602N49.1Very low53.5Low161 Ų161150.5 Ų150.586%0.86173%0.73SS**  trans-78.689.4177.6-136.65.2000108.2K604N602-K604 PolarHBondContact O-N 2.92Å
603E48.7Very low55.7Low165 Ų165147.5 Ų147.577%0.77171%0.705SS**  trans-70.7107.6174.4-75.6-174.1166.700109.9Q601 K605Q601-E603 PolarHBondContact O-N 2.98Å; E603-K605 PolarHBondContact O-N 2.68Å
604K62.8Low57.5Low172 Ų172144.1 Ų144.175%0.74869%0.692SS**  trans-66.4128.1170.9-71.9-177.2178.91780108.9N602 I606N602-K604 PolarHBondContact O-N 2.92Å; K604-I606 PolarHBondContact O-N 3.22Å; K604-I606 VanDerWaalsContact O-N 3.13Å
605K60.2Low58.9Low212 Ų212139.5 Ų139.592%0.92268%0.683SS**  trans-62.2113.7171.5-87.5-177.5175178.30109.8E603E603-K605 PolarHBondContact O-N 2.68Å
606I69.6Low60.4Low111 Ų111135.7 Ų135.757%0.56966%0.658SS**  trans-72.5125.5173.3-58.8171.9000108.3K604 W608 A613K604-I606 PolarHBondContact O-N 3.22Å; K604-I606 VanDerWaalsContact O-N 3.13Å; I606-W608 VanDerWaalsContact O-CD1 3.24Å; I606-A613 HydrophobicContact CG2-CB 3.79Å
607H71Confident61.6Low145 Ų145132.2 Ų132.267%0.67165%0.65SS**  trans-82.7138.4176.2-161.352.1000109.6H614H607-H614 WeakPolarHBondContact O-CB 3.39Å; H607-H614 PolarHBondContact O-N 2.69Å
608W78.3Confident63.2Low164 Ų164133.4 Ų133.462%0.62165%0.652SS**EExtended strand (participates in β ladder)trans-117.6133.7-179-65.873.9000108.9I606 G612 A613I606-W608 VanDerWaalsContact O-CD1 3.24Å; W608-G612 CarbonylContact C-O 3.55Å; W608-G612 WeakPolarHBondContact CA-O 3.41Å; W608-A613 HydrophobicContact CD2-CB 3.88Å; W608-A613 HydrophobicContact CE3-CB 3.84Å; W608-A613 VanDerWaalsContact CE3-N 3.25Å; W608-A613 HydrophobicContact CH2-CB 3.74Å; W608-A613 HydrophobicContact CZ2-CB 3.77Å; W608-A613 HydrophobicContact CZ3-CB 3.77Å
609D83.5Confident64.2Low88 Ų88133.4 Ų133.447%0.47165%0.652SS.*EExtended strand (participates in β ladder)trans-111.3-172.8170.566.822.2000111Y611 G612D609-Y611 PolarHBondContact O-N 3.04Å; D609-Y611 WeakPolarHBondContact OD1-CA 3.1Å; D609-Y611 PolarHBondContact OD1-N 3.1Å; D609-G612 PolarHBondContact N-O 2.97Å; D609-G612 PolarHBondContact O-N 3.25Å; D609-G612 PolarHBondContact OD1-N 3.05Å
610E77.3Confident65.1Low166 Ų166131.4 Ų131.478%0.77664%0.643SS**THydrogen-bonded Turntrans-66.6-10.9-178.866-175.7178.400114.1
611Y68.7Low65.2Low198 Ų198129.5 Ų129.578%0.77663%0.629SS**THydrogen-bonded Turntrans-108.2-11.3178.6-58.5-77.7000113.4D609D609-Y611 PolarHBondContact O-N 3.04Å; D609-Y611 WeakPolarHBondContact OD1-CA 3.1Å; D609-Y611 PolarHBondContact OD1-N 3.1Å
612G75.7Confident65.2Low24 Ų24127.7 Ų127.725%0.24763%0.633CS.*EExtended strand (participates in β ladder)trans141.4-158.4172.900000114W608 D609W608-G612 CarbonylContact C-O 3.55Å; W608-G612 WeakPolarHBondContact CA-O 3.41Å; D609-G612 PolarHBondContact N-O 2.97Å; D609-G612 PolarHBondContact O-N 3.25Å; D609-G612 PolarHBondContact OD1-N 3.05Å
613A79.7Confident64.5Low37 Ų37126.4 Ų126.431%0.30663%0.631SS.*EExtended strand (participates in β ladder)trans-72.2129.9175.700000110.3I606 W608 L615I606-A613 HydrophobicContact CG2-CB 3.79Å; W608-A613 HydrophobicContact CD2-CB 3.88Å; W608-A613 HydrophobicContact CE3-CB 3.84Å; W608-A613 VanDerWaalsContact CE3-N 3.25Å; W608-A613 HydrophobicContact CH2-CB 3.74Å; W608-A613 HydrophobicContact CZ2-CB 3.77Å; W608-A613 HydrophobicContact CZ3-CB 3.77Å; A613-L615 PolarHBondContact O-N 3.49Å; A613-L615 VanDerWaalsContact O-N 3.09Å
614H72.4Confident63.9Low121 Ų121126.5 Ų126.556%0.5663%0.632SS**  trans-67108.5172-171.6-74.5000109.5H607H607-H614 WeakPolarHBondContact O-CB 3.39Å; H607-H614 PolarHBondContact O-N 2.69Å
615L68.2Low62.5Low127 Ų127124.4 Ų124.467%0.66564%0.635SS**  trans-74.3129.4175.7-68.9166000109.4A613 P617 F620A613-L615 PolarHBondContact O-N 3.49Å; A613-L615 VanDerWaalsContact O-N 3.09Å; L615-P617 WeakPolarHBondContact O-CD 3.47Å; L615-F620 HydrophobicContact CD2-CE2 4.24Å; L615-F620 HydrophobicContact CD2-CZ 4.46Å
616D70.3Confident61.3Low57 Ų57120.6 Ų120.631%0.30563%0.63SS.*  trans-82.5111.9172.9-171.8-8.9000108.9E618 L619 F620D616-E618 PolarHBondContact O-N 2.78Å; D616-E618 PolarHBondContact OD1-N 2.85Å; D616-L619 HydrophobicContact CB-CD1 4.04Å; D616-L619 PolarHBondContact O-N 3.39Å; D616-F620 WeakPolarHBondContact O-CD2 3.33Å
617P64.1Low59.6Low91 Ų91120.7 Ų120.759%0.59164%0.64SS**G310 helixtrans-62.2-24.3-176.8-19.632000113.4L615 L619 F620 T621L615-P617 WeakPolarHBondContact O-CD 3.47Å; P617-L619 VanDerWaalsContact C-N 3.3Å; P617-L619 PolarHBondContact O-N 3.38Å; P617-F620 PolarHBondContact O-N 2.72Å; P617-T621 PolarHBondContact O-N 3Å; P617-T621 PolarHBondContact O-OG1 2.92Å
618E65.5Low57.6Low157 Ų157119 Ų11973%0.73465%0.645SS**G310 helixtrans-70.6-26.7-179-65-170.3176.300112.6D616 F620 T621D616-E618 PolarHBondContact O-N 2.78Å; D616-E618 PolarHBondContact OD1-N 2.85Å; E618-F620 PolarHBondContact O-N 3.4Å; E618-T621 VanDerWaalsContact CA-OG1 3.31Å; E618-T621 WeakPolarHBondContact CA-OG1 3.38Å; E618-T621 PolarHBondContact O-N 2.78Å
619L61.1Low55.2Low133 Ų133120.7 Ų120.770%0.69666%0.66SS**G310 helixtrans-67.8-16.6175.2-103.4148.6000113.1D616 P617D616-L619 HydrophobicContact CB-CD1 4.04Å; D616-L619 PolarHBondContact O-N 3.39Å; P617-L619 VanDerWaalsContact C-N 3.3Å; P617-L619 PolarHBondContact O-N 3.38Å
620F54.8Low52.7Low146 Ų146121.2 Ų121.264%0.6468%0.676SS**G310 helixtrans-116.1-0.1-177.4-58.2-80.8000113.2L615 D616 P617 E618 S622L615-F620 HydrophobicContact CD2-CE2 4.24Å; L615-F620 HydrophobicContact CD2-CZ 4.46Å; D616-F620 WeakPolarHBondContact O-CD2 3.33Å; P617-F620 PolarHBondContact O-N 2.72Å; E618-F620 PolarHBondContact O-N 3.4Å; F620-S622 PolarHBondContact O-N 2.78Å
621T45.9Very low50.4Low92 Ų92118.3 Ų118.356%0.56468%0.68SS**  trans-93.283.1171.311.60000108.8P617 E618 T623P617-T621 PolarHBondContact O-N 3Å; P617-T621 PolarHBondContact O-OG1 2.92Å; E618-T621 VanDerWaalsContact CA-OG1 3.31Å; E618-T621 WeakPolarHBondContact CA-OG1 3.38Å; E618-T621 PolarHBondContact O-N 2.78Å; T621-T623 PolarHBondContact O-N 2.83Å
622S42.9Very low48.5Very low114 Ų114116.5 Ų116.580%0.79768%0.683SS**  trans-68.295.9171.7500000110.2F620 E624F620-S622 PolarHBondContact O-N 2.78Å; S622-E624 VanDerWaalsContact C-N 3.33Å; S622-E624 PolarHBondContact O-N 2.96Å
623T34.5Very low46.3Very low134 Ų134121 Ų12182%0.82271%0.709SS**  trans-91.766.8161.941.70000109.5T621T621-T623 PolarHBondContact O-N 2.83Å
624E35.7Very low43.9Very low168 Ų168126.4 Ų126.479%0.78573%0.732SS**  trans-98.1121.3158-73.7-158.1162.200108.6S622 V626S622-E624 VanDerWaalsContact C-N 3.33Å; S622-E624 PolarHBondContact O-N 2.96Å; E624-V626 PolarHBondContact O-N 2.98Å
625P32.6Very low41.8Very low127 Ų127132.5 Ų132.583%0.82575%0.75SS**  trans-74.297.4175.530.1-29.6000108.3S627P625-S627 PolarHBondContact O-N 3.03Å
626V36.6Very low40Very low133 Ų133133.3 Ų133.381%0.80676%0.755SS**  trans-62.7120.3170.4-179.30000108E624 S628E624-V626 PolarHBondContact O-N 2.98Å; V626-S628 PolarHBondContact O-N 2.77Å
627S33.6Very low38.3Very low113 Ų113138.2 Ų138.279%0.7978%0.78SS**  trans-59.3118.6175.15.90000109P625 Q629P625-S627 PolarHBondContact O-N 3.03Å; S627-Q629 PolarHBondContact O-N 3.49Å
628S28.5Very low36.8Very low110 Ų110142.9 Ų142.977%0.76979%0.791SS**SBendtrans-66.4108.1-179.345.70000112V626V626-S628 PolarHBondContact O-N 2.77Å
629Q27.1Very low35Very low199 Ų199142.4 Ų142.493%0.9379%0.794SS**  trans-172.878.1147.2-104.5172.826.900110.7S627S627-Q629 PolarHBondContact O-N 3.49Å
630A31.9Very low33.6Very low98 Ų98143 Ų14381%0.8180%0.802SS**  trans-157118.8152.100000107.7L632A630-L632 PolarHBondContact O-N 3.14Å
631A28Very low32.3Very low105 Ų105145 Ų14587%0.86881%0.811SS**PPolyproline II helixtrans-67.9125.9-174.400000111.4
632L29.8Very low31.7Very low160 Ų160147.3 Ų147.384%0.83883%0.825SS**PPolyproline II helixtrans-98.9134.7159.8-74.9166.1000108.1A630A630-L632 PolarHBondContact O-N 3.14Å
633P30Very low31Very low120 Ų120148.3 Ų148.378%0.77983%0.827SS**PPolyproline II helixtrans-75128.7175.628.8-29.3000110.6W635P633-W635 PolarHBondContact O-N 3.39Å
634N28.7Very low30.7Very low150 Ų150146.5 Ų146.580%0.80282%0.819SS**PPolyproline II helixtrans-66.1122.2174.1-88.7-13.2000111.2
635W28.6Very low30.2Very low248 Ų248145.5 Ų145.594%0.93982%0.819SS**  trans-95.1107.3152.1-78.9-30.7000109.6P633 I637P633-W635 PolarHBondContact O-N 3.39Å; W635-I637 PolarHBondContact O-N 3.44Å
636D29.3Very low30.1Very low144 Ų144147.5 Ų147.577%0.7782%0.821SS**  trans-68.6110.7168.1-89.1-38.2000110.1
637I35.8Very low29.6Very low160 Ų160147.3 Ų147.382%0.82182%0.82SS**  trans-102.9101.7162.6-62176.9000107.8W635W635-I637 PolarHBondContact O-N 3.44Å
638K31.2Very low29.3Very low190 Ų190147 Ų14783%0.82682%0.818SS**  trans-80.3121.4166.8-84.1-179.4179171.60110.2
639N28.6Very low29.2Very low147 Ų147147.6 Ų147.679%0.78682%0.822SS**  trans-45.4136.9167.8-87.9-39.9000114.7
640T31.8Very low29.3Very low144 Ų144141.4 Ų141.488%0.88381%0.812SS**  trans-143.8122.4139.67.60000110.6
641K28.1Very low29Very low190 Ų190147.3 Ų147.383%0.82682%0.82SS**  trans-75.7144.1175.6-70172.1171.9176.90110.8
642T32.1Very low29.1Very low140 Ų140146.4 Ų146.486%0.85981%0.813SS**  -170130.9126.725.10000112
643T27.6Very low29.1Very low135 Ų135144 Ų14483%0.82881%0.809SS**  trans-50.4151.9166.6-1.10000112.5
644S28.7Very low29.1Very low95 Ų95143.9 Ų143.966%0.66481%0.806SS**  -172.514952.449.10000113.6
645D24.8Very low29.6Very low147 Ų147140.4 Ų140.479%0.78679%0.794SS**  trans58.9118.8146-53-21.4000122.4
646I31.6Very low30.2Very low169 Ų169134.2 Ų134.287%0.86778%0.778SS**  -173.2140.7114-86.6152.4000110.7
647V25.8Very low30.7Very low129 Ų129131.1 Ų131.178%0.78276%0.761SS**  trans-69135.3-176-135.40000112.9
648S27.1Very low31.1Very low106 Ų106128.6 Ų128.674%0.74175%0.749SS**  162.9131.7122.2-73.90000114.4
649S25.5Very low31.4Very low123 Ų123127.9 Ų127.986%0.8674%0.742SS**  trans56.1114.1144.763.10000121
650G30.1Very low31.9Very low70 Ų70123.8 Ų123.872%0.72272%0.72SS**  trans165.379.815700000112.9A652G650-A652 PolarHBondContact O-N 2.72Å
651F25Very low32.5Very low222 Ų222121.3 Ų121.397%0.97471%0.705SS**  trans-68.581.4162.8-79.5-87.6000108.7
652A29.8Very low33.2Very low86 Ų86116.3 Ų116.371%0.71170%0.698SS**  trans-89.4109.7161.600000107.2G650 T654G650-A652 PolarHBondContact O-N 2.72Å; A652-T654 PolarHBondContact O-N 2.86Å; A652-T654 VanDerWaalsContact O-N 3.12Å
653S30.7Very low33.3Very low109 Ų109119.1 Ų119.176%0.76269%0.693SS**  trans-70.7102.1173.629.20000108.6S655S653-S655 PolarHBondContact O-N 2.91Å
654T30.1Very low33.9Very low117 Ų117114.3 Ų114.372%0.71866%0.664SS**  trans-65.385.4163.344.90000108.3A652A652-T654 PolarHBondContact O-N 2.86Å; A652-T654 VanDerWaalsContact O-N 3.12Å
655S38.4Very low34.4Very low77 Ų77113.6 Ų113.654%0.53866%0.657SS.*  trans-121.6109-171.1170.90000109.8S653 L657S653-S655 PolarHBondContact O-N 2.91Å; S655-L657 PolarHBondContact O-N 3Å
656I42Very low35.3Very low119 Ų119112 Ų11261%0.6165%0.653SS**SBendtrans62.5-32.7167.1-79.3164.7000117Y659 L660I656-Y659 PolarHBondContact O-N 3.41Å; I656-L660 HydrophobicContact CG2-CD1 3.56Å; I656-L660 HydrophobicContact CG2-CG 4.11Å; I656-L660 WeakPolarHBondContact O-CG 3.36Å; I656-L660 PolarHBondContact O-N 2.95Å
657L38.8Very low36.1Very low79 Ų79106.5 Ų106.541%0.41462%0.622SS.*Hα-helixtrans-63.8-48-179.1-123.383.4000111.3S655 Y659 L660 V661S655-L657 PolarHBondContact O-N 3Å; L657-Y659 PolarHBondContact O-N 3.37Å; L657-L660 PolarHBondContact O-N 3.37Å; L657-L660 VanDerWaalsContact O-N 3.1Å; L657-V661 WeakPolarHBondContact O-CB 3.4Å; L657-V661 VanDerWaalsContact O-CG2 3.29Å; L657-V661 WeakPolarHBondContact O-CG2 3.35Å; L657-V661 PolarHBondContact O-N 3.19Å
658D45.1Very low36.9Very low106 Ų106107.3 Ų107.357%0.56762%0.622SS**Hα-helixtrans-59.9-31.8176.1-64.1-25.5000112A662D658-A662 WeakPolarHBondContact O-CB 3.31Å; D658-A662 PolarHBondContact O-N 2.94Å; D658-A662 VanDerWaalsContact O-N 3.16Å
659Y38.4Very low37.9Very low176 Ų176107.4 Ų107.469%0.6962%0.618SS**Hα-helixtrans-78.1-30.4179.3-154.1-90.1000112.8I656 L657I656-Y659 PolarHBondContact O-N 3.41Å; L657-Y659 PolarHBondContact O-N 3.37Å
660L38.6Very low39.1Very low60 Ų60107.3 Ų107.331%0.31461%0.608SS.*Hα-helixtrans-81-36.3175.7-71170.9000111.8I656 L657 A662 R663I656-L660 HydrophobicContact CG2-CD1 3.56Å; I656-L660 HydrophobicContact CG2-CG 4.11Å; I656-L660 WeakPolarHBondContact O-CG 3.36Å; I656-L660 PolarHBondContact O-N 2.95Å; L657-L660 PolarHBondContact O-N 3.37Å; L657-L660 VanDerWaalsContact O-N 3.1Å; L660-A662 VanDerWaalsContact C-N 3.3Å; L660-A662 PolarHBondContact O-N 3.2Å; L660-R663 PolarHBondContact O-N 3.49Å; L660-R663 VanDerWaalsContact O-N 3.16Å
661V45.1Very low40.3Very low93 Ų93109.5 Ų109.556%0.56460%0.603SS**Hα-helixtrans-64.1-35.9172.6173.20000110.8L657 R663 T664L657-V661 WeakPolarHBondContact O-CB 3.4Å; L657-V661 VanDerWaalsContact O-CG2 3.29Å; L657-V661 WeakPolarHBondContact O-CG2 3.35Å; L657-V661 PolarHBondContact O-N 3.19Å; V661-R663 PolarHBondContact O-N 2.81Å; V661-T664 WeakPolarHBondContact CA-OG1 3.37Å; V661-T664 WeakPolarHBondContact O-CB 3.43Å; V661-T664 PolarHBondContact O-N 2.99Å; V661-T664 VanDerWaalsContact O-N 3.17Å; V661-T664 PolarHBondContact O-OG1 3.02Å
662A41.3Very low41.9Very low84 Ų84104.3 Ų104.369%0.69459%0.594SS**THydrogen-bonded Turntrans-65.6-15.3174.700000114.7D658 L660D658-A662 WeakPolarHBondContact O-CB 3.31Å; D658-A662 PolarHBondContact O-N 2.94Å; D658-A662 VanDerWaalsContact O-N 3.16Å; L660-A662 VanDerWaalsContact C-N 3.3Å; L660-A662 PolarHBondContact O-N 3.2Å
663R35.6Very low44.3Very low200 Ų200106 Ų10676%0.75559%0.591SS**THydrogen-bonded Turntrans-101.10.1176.1-92-166.8170.3-166.5-2114.3L660 V661L660-R663 PolarHBondContact O-N 3.49Å; L660-R663 VanDerWaalsContact O-N 3.16Å; V661-R663 PolarHBondContact O-N 2.81Å
664T40.5Very low46.8Very low33 Ų33102.6 Ų102.620%0.20257%0.566CS.*SBendtrans-59.7133.6170.7-36.80000107.9V661 T666 F667V661-T664 WeakPolarHBondContact CA-OG1 3.37Å; V661-T664 WeakPolarHBondContact O-CB 3.43Å; V661-T664 PolarHBondContact O-N 2.99Å; V661-T664 VanDerWaalsContact O-N 3.17Å; V661-T664 PolarHBondContact O-OG1 3.02Å; T664-T666 PolarHBondContact O-N 3.33Å; T664-F667 HydrophobicContact CG2-CD2 3.45Å; T664-F667 VanDerWaalsContact CG2-CD2 3.45Å; T664-F667 HydrophobicContact CG2-CE2 3.14Å; T664-F667 HydrophobicContact CG2-CZ 4.19Å
665P38.9Very low49.5Very low81 Ų81102.5 Ų102.553%0.52655%0.552SS.*  trans-52.9117.2161.523.8-30.1000105.3F667P665-F667 PolarHBondContact O-N 3.03Å
666T42.6Very low51.9Low113 Ų113100.1 Ų100.169%0.69354%0.536SS*.  trans-49.7106.6-176.143.10000108.3T664 D668T664-T666 PolarHBondContact O-N 3.33Å; T666-D668 PolarHBondContact O-N 3.17Å; T666-D668 VanDerWaalsContact O-N 3.16Å
667F49.4Very low54.1Low53 Ų5396 Ų9623%0.23252%0.516CS..THydrogen-bonded Turntrans-67.1-9.2177.3-73.6-73.3000111.3Q104 L117 V272 T664 P665 V669Q104-F667 HydrophobicContact CG-CE1 4.48Å; L117-F667 HydrophobicContact CD1-CB 3.79Å; L117-F667 HydrophobicContact CD1-CD1 4.49Å; L117-F667 HydrophobicContact CD1-CG 4.21Å; V272-F667 HydrophobicContact CG1-CZ 4.23Å; T664-F667 HydrophobicContact CG2-CD2 3.45Å; T664-F667 VanDerWaalsContact CG2-CD2 3.45Å; T664-F667 HydrophobicContact CG2-CE2 3.14Å; T664-F667 HydrophobicContact CG2-CZ 4.19Å; P665-F667 PolarHBondContact O-N 3.03Å; F667-V669 PolarHBondContact O-N 3.1Å
668D42Very low56.6Low146 Ų14695.6 Ų95.678%0.78152%0.516SS*.THydrogen-bonded Turntrans-86.820.8-171.8-76.2-26.5000116.9T666T666-D668 PolarHBondContact O-N 3.17Å; T666-D668 VanDerWaalsContact O-N 3.16Å
669V47.2Very low58.7Low109 Ų10992.6 Ų92.666%0.66150%0.499SS*.  trans-120.578.2168.9-166.70000110F667 D671F667-V669 PolarHBondContact O-N 3.1Å; V669-D671 VanDerWaalsContact C-N 3.35Å; V669-D671 PolarHBondContact O-N 3.44Å
670L52.7Low61.2Low121 Ų12191.4 Ų91.463%0.63450%0.5SS*.  trans-58.9100.5154.6-83.6153.8000107.6H107 S672H107-L670 VanDerWaalsContact NE2-CD2 3.29Å; H107-L670 WeakPolarHBondContact NE2-CD2 3.45Å; L670-S672 PolarHBondContact O-N 2.83Å
671D53.7Low63.6Low115 Ų11589.8 Ų89.862%0.61549%0.491SS*.  trans-57.7109.7167.2-115.5-14.6000107.5V669 N673 T674V669-D671 VanDerWaalsContact C-N 3.35Å; V669-D671 PolarHBondContact O-N 3.44Å; D671-N673 PolarHBondContact O-N 3.45Å; D671-T674 HydrophobicContact CB-CG2 3.98Å; D671-T674 PolarHBondContact O-N 3.39Å; D671-T674 PolarHBondContact O-OG1 3.5Å
672S59.4Low65.8Low114 Ų11492.5 Ų92.580%0.79750%0.498SS*.THydrogen-bonded Turntrans-65.62.5-166.545.40000114.9L670L670-S672 PolarHBondContact O-N 2.83Å
673N79.1Confident68.2Low120 Ų12089.1 Ų89.164%0.64247%0.468SS*.THydrogen-bonded Turntrans-133.957.4179-78.5-26.5000111.6C411 D671C411-N673 HydrophobicContact CB-CB 4.41Å; C411-N673 PolarHBondContact N-O 3.23Å; C411-N673 VanDerWaalsContact SG-C 3.55Å; C411-N673 PolarHBondContact SG-O 2.78Å; C411-N673 VanDerWaalsContact SG-O 3.36Å; D671-N673 PolarHBondContact O-N 3.45Å
674T83.6Confident70.9Confident38 Ų3881 Ų8123%0.23344%0.441CS..EExtended strand (participates in β ladder)trans-119.4149.4171.459.10000111.2R408 V409 D671R408-T674 WeakPolarHBondContact CD-OG1 3.32Å; R408-T674 HydrophobicContact CG-CG2 4.35Å; R408-T674 PolarHBondContact NH1-OG1 3.05Å; R408-T674 VanDerWaalsContact NH1-OG1 3.16Å; V409-T674 CarbonylContact O-C 3.37Å; V409-T674 VanDerWaalsContact O-CA 3.3Å; V409-T674 WeakPolarHBondContact O-CA 3.31Å; D671-T674 HydrophobicContact CB-CG2 3.98Å; D671-T674 PolarHBondContact O-N 3.39Å; D671-T674 PolarHBondContact O-OG1 3.5Å
675R87.6Confident73.5Confident115 Ų11580.6 Ų80.643%0.43444%0.437SS..EExtended strand (participates in β ladder)trans-136.4148.9173.467.7179.3-179126.7-7.3111V409 A414 V677V409-R675 PolarHBondContact N-O 2.71Å; V409-R675 PolarHBondContact O-N 3.3Å; A414-R675 HydrophobicContact CB-CG 4.4Å; A414-R675 VanDerWaalsContact CB-NH2 3.32Å; R675-V677 HydrophobicContact CG-CG2 4.37Å
676C87.8Confident76.1Confident28 Ų2882.4 Ų82.419%0.18943%0.434CS..EExtended strand (participates in β ladder)trans-81125.3173.4-70.20000110.6E110 Q407 R408E110-C676 VanDerWaalsContact C-SG 3.58Å; Q407-C676 WeakPolarHBondContact O-CA 3.17Å; R408-C676 PolarHBondContact NH2-SG 2.98Å
677V88.9Confident78.7Confident33 Ų3377.6 Ų77.620%0.240%0.404CS..EExtended strand (participates in β ladder)trans-109.2132.1174.1178.10000108.2S406 Q407 V409 A414 R675S406-V677 WeakPolarHBondContact CA-O 3.42Å; Q407-V677 PolarHBondContact N-O 2.92Å; Q407-V677 PolarHBondContact O-N 3.34Å; V409-V677 HydrophobicContact CG2-CB 4.1Å; V409-V677 HydrophobicContact CG2-CG2 3.42Å; V409-V677 VanDerWaalsContact CG2-CG2 3.42Å; A414-V677 HydrophobicContact CB-CG2 4.49Å; R675-V677 HydrophobicContact CG-CG2 4.37Å
678T90.7Very high80.9Confident69 Ų6978 Ų7842%0.42341%0.407SS..EExtended strand (participates in β ladder)trans-108.7127.3-179.3-640000109.8T404 S406T404-T678 HydrophobicContact CG2-CG2 3.18Å; S406-T678 WeakPolarHBondContact OG-CG2 3.23Å; S406-T678 PolarHBondContact OG-OG1 3.47Å
679H89.1Confident83.5Confident43 Ų4372.2 Ų72.220%0.19938%0.377CS..EExtended strand (participates in β ladder)trans-110.9129.2177.3-58.4-77.7000109.6T404 L405 Q407 L681T404-H679 CarbonylContact C-O 3.56Å; T404-H679 VanDerWaalsContact CA-O 3.31Å; T404-H679 WeakPolarHBondContact CA-O 3.32Å; L405-H679 PolarHBondContact N-O 3.49Å; L405-H679 PolarHBondContact O-N 3.34Å; Q407-H679 PolarHBondContact NE2-NE2 3.21Å; H679-L681 HydrophobicContact CB-CD2 4.13Å; H679-L681 HydrophobicContact CB-CG 4.37Å
680H91.8Very high85.8Confident152 Ų15268.3 Ų68.370%0.70435%0.353SS*.EExtended strand (participates in β ladder)trans-92.4111.9169.3-62.4-70.3000108.4T404T404-H680 PolarHBondContact OG1-ND1 3.04Å; T404-H680 VanDerWaalsContact OG1-ND1 3.1Å
681L90Very high87.8Confident25 Ų2564 Ų6413%0.13133%0.33CS..EExtended strand (participates in β ladder)trans-107142.2-176.3-54.4174.8000109.8P402 L403 L405 I421 L424 H679 I683P402-L681 WeakPolarHBondContact CA-O 3.42Å; L403-L681 PolarHBondContact N-O 3.28Å; L403-L681 WeakPolarHBondContact O-CA 3.32Å; L403-L681 WeakPolarHBondContact O-CB 3.34Å; L403-L681 PolarHBondContact O-N 3.35Å; L405-L681 HydrophobicContact CB-CD1 3.84Å; L405-L681 HydrophobicContact CD2-CD1 4.21Å; I421-L681 HydrophobicContact CD1-CD2 4.4Å; L424-L681 HydrophobicContact CD1-CD1 3.87Å; H679-L681 HydrophobicContact CB-CD2 4.13Å; H679-L681 HydrophobicContact CB-CG 4.37Å; L681-I683 HydrophobicContact CB-CD1 4.21Å; L681-I683 HydrophobicContact CB-CG1 3.87Å; L681-I683 HydrophobicContact CD1-CD1 4.21Å
682E90.7Very high89.8Confident151 Ų15159.3 Ų59.371%0.70630%0.304SS*.EExtended strand (participates in β ladder)trans-109.398.1167.7-72.1-169.5164.100108I400 P684I400-E682 HydrophobicContact CG2-CB 3.68Å; I400-E682 HydrophobicContact CG2-CG 4.36Å; E682-P684 WeakPolarHBondContact O-CD 3.35Å
683I90.7Very high91.4Very high12 Ų1254.1 Ų54.16%0.06227%0.268CS..EExtended strand (participates in β ladder)trans-98.6118.7-170.3-55.8-179000109.6A343 A346 D347 L401 L403 L681 L685A343-I683 HydrophobicContact CB-CD1 4.06Å; A346-I683 HydrophobicContact CB-CG2 3.78Å; D347-I683 HydrophobicContact CB-CG2 4.31Å; L401-I683 PolarHBondContact N-O 3.26Å; L401-I683 PolarHBondContact O-N 3.41Å; L403-I683 HydrophobicContact CB-CD1 3.94Å; L403-I683 HydrophobicContact CB-CG1 4.46Å; L403-I683 HydrophobicContact CD2-CD1 3.5Å; L403-I683 VanDerWaalsContact CD2-CD1 3.5Å; L403-I683 HydrophobicContact CG-CD1 4.33Å; L681-I683 HydrophobicContact CB-CD1 4.21Å; L681-I683 HydrophobicContact CB-CG1 3.87Å; L681-I683 HydrophobicContact CD1-CD1 4.21Å; I683-L685 PolarHBondContact O-N 2.97Å; I683-L685 VanDerWaalsContact O-N 3.11Å
684P93.6Very high92.1Very high30 Ų3048.5 Ų48.520%0.19524%0.237CC..EExtended strand (participates in β ladder)trans-62.4115.1169.1-16.629.8000109.4D347 T398 E682 R686D347-P684 VanDerWaalsContact CA-O 3.29Å; D347-P684 WeakPolarHBondContact CA-O 3.24Å; T398-P684 HydrophobicContact CG2-CB 4.03Å; E682-P684 WeakPolarHBondContact O-CD 3.35Å; P684-R686 HydrophobicContact CB-CG 4.35Å; P684-R686 PolarHBondContact O-N 3.44Å
685L93.5Very high92.4Very high25 Ų2547 Ų4713%0.13123%0.227CC..  trans-80.589.5-179.9-17267.8000109.2F342 A346 L377 L380 S399 I683 V689F342-L685 HydrophobicContact CE2-CD1 4.26Å; F342-L685 HydrophobicContact CZ-CD1 4.06Å; A346-L685 HydrophobicContact CB-CD1 4.15Å; L377-L685 HydrophobicContact CD2-CD2 4.32Å; L380-L685 HydrophobicContact CD1-CD2 3.76Å; S399-L685 PolarHBondContact O-N 2.79Å; I683-L685 PolarHBondContact O-N 2.97Å; I683-L685 VanDerWaalsContact O-N 3.11Å; L685-V689 HydrophobicContact CD1-CG2 4.23Å
686R95Very high92.6Very high119 Ų11941.5 Ų41.545%0.44921%0.207SC..  trans-102.8-25-179.5-65.8-171.8-179.2141-5.8113.6A346 D347 D349 T398 P684A346-R686 PolarHBondContact O-N 3.47Å; D347-R686 WeakPolarHBondContact OD1-CD 3.31Å; D347-R686 IonicContact OD1-CZ 3.88Å; D347-R686 VanDerWaalsContact OD1-CZ 3.23Å; D347-R686 IonicContact OD1-NE 3.13Å; D347-R686 PolarHBondContact OD1-NE 2.91Å; D347-R686 IonicContact OD1-NH1 3.49Å; D347-R686 PolarHBondContact OD1-NH1 3.26Å; D347-R686 IonicContact OD2-NH1 3.71Å; D349-R686 WeakPolarHBondContact CA-O 3.34Å; D349-R686 HydrophobicContact CB-CB 4.3Å; T398-R686 HydrophobicContact CG2-CG 3.71Å; P684-R686 HydrophobicContact CB-CG 4.35Å; P684-R686 PolarHBondContact O-N 3.44Å
687C95.8Very high92.9Very high11 Ų1141 Ų417%0.07420%0.201CC..SBendtrans-62.8157179.5700000112.7A346 N348 N351 I353 V689A346-C687 PolarHBondContact O-N 3.3Å; N348-C687 WeakPolarHBondContact O-CA 3.45Å; N348-C687 WeakPolarHBondContact O-CB 3.3Å; N348-C687 PolarHBondContact O-N 3.25Å; N351-C687 HydrophobicContact CB-CB 4.25Å; I353-C687 HydrophobicContact CG1-CB 4.36Å; I353-C687 VanDerWaalsContact CG1-SG 3.56Å; C687-V689 PolarHBondContact O-N 2.65Å
688E96.3Very high93.2Very high63 Ų6339.6 Ų39.629%0.29419%0.193SC..EExtended strand (participates in β ladder)trans-78.2117.8171.3-173.8173.4-166.800109.2K225 N351 T352 I353 V690K225-E688 IonicContact NZ-OE1 2.73Å; K225-E688 PolarHBondContact NZ-OE1 2.83Å; K225-E688 IonicContact NZ-OE2 2.88Å; K225-E688 PolarHBondContact NZ-OE2 3.29Å; N351-E688 PolarHBondContact O-N 2.97Å; T352-E688 CarbonylContact C-O 3.52Å; T352-E688 VanDerWaalsContact CA-O 3.24Å; T352-E688 WeakPolarHBondContact CA-O 3.46Å; T352-E688 HydrophobicContact CG2-CB 4.26Å; T352-E688 HydrophobicContact CG2-CG 4.48Å; T352-E688 WeakPolarHBondContact CG2-O 3.46Å; I353-E688 PolarHBondContact N-O 3.46Å; E688-V690 HydrophobicContact CG-CG2 3.86Å
689V95.6Very high93.4Very high23 Ų2337.1 Ų37.114%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-99.3124174.4-173.40000109.1I353 L355 L377 A381 L685 C687I353-V689 WeakPolarHBondContact O-CA 3.37Å; L355-V689 HydrophobicContact CD1-CG1 3.91Å; L355-V689 HydrophobicContact CG-CG1 4.43Å; L377-V689 HydrophobicContact CB-CG1 4.21Å; L377-V689 HydrophobicContact CD2-CG2 4.45Å; A381-V689 HydrophobicContact CB-CG1 4.19Å; L685-V689 HydrophobicContact CD1-CG2 4.23Å; C687-V689 PolarHBondContact O-N 2.65Å
690V96.1Very high93.6Very high27 Ų2735.1 Ų35.116%0.16417%0.168CC..EExtended strand (participates in β ladder)trans-126.8134.2-178.1-171.90000109.4T222 T352 I353 I354 L355 E688 L692T222-V690 HydrophobicContact CG2-CG2 4.02Å; T352-V690 HydrophobicContact CG2-CG2 4.06Å; I353-V690 PolarHBondContact O-N 2.66Å; I354-V690 CarbonylContact C-O 3.41Å; I354-V690 WeakPolarHBondContact CA-O 3.18Å; L355-V690 PolarHBondContact N-O 2.9Å; E688-V690 HydrophobicContact CG-CG2 3.86Å; V690-L692 HydrophobicContact CG1-CD2 4.09Å; V690-L692 HydrophobicContact CG1-CG 3.95Å
691F95.1Very high93.7Very high32 Ų3233 Ų3314%0.1416%0.158CC..EExtended strand (participates in β ladder)trans-102.8123.9170173.2-102.8000109.7L355 Q358 I378 A381 D693L355-F691 HydrophobicContact CB-CD2 4.11Å; L355-F691 WeakPolarHBondContact O-CD2 3.36Å; Q358-F691 HydrophobicContact CG-CE1 4.25Å; Q358-F691 HydrophobicContact CG-CE2 3.69Å; Q358-F691 HydrophobicContact CG-CZ 3.35Å; I378-F691 HydrophobicContact CD1-CD2 4Å; I378-F691 HydrophobicContact CD1-CE2 4.14Å; I378-F691 HydrophobicContact CG1-CD2 3.87Å; I378-F691 HydrophobicContact CG1-CE2 4.5Å; I378-F691 HydrophobicContact CG1-CG 4.43Å; I378-F691 HydrophobicContact CG2-CD2 4.26Å; I378-F691 HydrophobicContact CG2-CG 4.19Å; A381-F691 HydrophobicContact CB-CB 3.97Å; F691-D693 HydrophobicContact CE1-CB 4.04Å; F691-D693 HydrophobicContact CZ-CB 3.97Å
692L94.9Very high94Very high16 Ų1631.9 Ų31.98%0.08415%0.153CC..  trans-128.5113.6176.3-64.4177.8000109.4N218 L219 I354 L355 T356 V690 Y694N218-L692 HydrophobicContact CB-CD2 4.16Å; L219-L692 HydrophobicContact CB-CD1 3.79Å; L219-L692 HydrophobicContact CD1-CD1 3.74Å; L219-L692 HydrophobicContact CG-CD1 4.36Å; I354-L692 HydrophobicContact CG2-CB 4.24Å; I354-L692 HydrophobicContact CG2-CD1 3.87Å; I354-L692 HydrophobicContact CG2-CG 4.16Å; L355-L692 PolarHBondContact O-N 3.41Å; T356-L692 WeakPolarHBondContact CA-O 3.18Å; V690-L692 HydrophobicContact CG1-CD2 4.09Å; V690-L692 HydrophobicContact CG1-CG 3.95Å; L692-Y694 HydrophobicContact CB-CD2 4.3Å; L692-Y694 HydrophobicContact CB-CE2 4.33Å; L692-Y694 PolarHBondContact O-N 3.49Å
693D92.7Very high94.2Very high5 Ų525 Ų253%0.02712%0.12CC..  trans-69.398.6-173.4171.823.2000113.8Y207 R215 F691 E695Y207-D693 WeakPolarHBondContact CE1-OD2 3.4Å; Y207-D693 VanDerWaalsContact CZ-OD2 3.31Å; Y207-D693 VanDerWaalsContact OH-CB 3.27Å; Y207-D693 WeakPolarHBondContact OH-CB 3.45Å; Y207-D693 PolarHBondContact OH-OD2 3.08Å; R215-D693 WeakPolarHBondContact CD-O 3.24Å; R215-D693 PolarHBondContact NH1-O 3.07Å; F691-D693 HydrophobicContact CE1-CB 4.04Å; F691-D693 HydrophobicContact CZ-CB 3.97Å; D693-E695 WeakPolarHBondContact OD1-CB 3.36Å; D693-E695 WeakPolarHBondContact OD1-CG 3.39Å; D693-E695 PolarHBondContact OD1-N 3.48Å
694Y94.5Very high94.4Very high2 Ų225.6 Ų25.61%0.00812%0.123CC..  trans-108.618171.7-85.3-93.8000112.6R215 D216 L219 R242 E245 V246 T356 L692 G696R215-Y694 VanDerWaalsContact CD-CE2 3.48Å; R215-Y694 HydrophobicContact CG-CD2 4.21Å; R215-Y694 HydrophobicContact CG-CE2 3.62Å; R215-Y694 VanDerWaalsContact CZ-CD1 3.44Å; R215-Y694 VanDerWaalsContact NE-CE1 3.3Å; R215-Y694 VanDerWaalsContact NE-CZ 3.25Å; R215-Y694 VanDerWaalsContact NH2-CE1 3.29Å; D216-Y694 WeakPolarHBondContact CA-OH 3.46Å; D216-Y694 PolarHBondContact OD1-OH 2.9Å; L219-Y694 HydrophobicContact CB-CE2 4.25Å; L219-Y694 HydrophobicContact CD2-CE2 3.71Å; L219-Y694 WeakPolarHBondContact CD2-OH 3.43Å; R242-Y694 VanDerWaalsContact CZ-O 3.29Å; R242-Y694 PolarHBondContact NE-O 3.28Å; R242-Y694 PolarHBondContact NH2-O 3.11Å; E245-Y694 HydrophobicContact CG-CD1 4.37Å; V246-Y694 HydrophobicContact CG2-CD1 3.71Å; V246-Y694 HydrophobicContact CG2-CE1 4.24Å; V246-Y694 HydrophobicContact CG2-CG 3.9Å; T356-Y694 PolarHBondContact O-N 3.38Å; L692-Y694 HydrophobicContact CB-CD2 4.3Å; L692-Y694 HydrophobicContact CB-CE2 4.33Å; L692-Y694 PolarHBondContact O-N 3.49Å; Y694-G696 PolarHBondContact O-N 3.27Å; Y694-G696 VanDerWaalsContact O-N 3.16Å
695E89.6Confident94.5Very high5 Ų531.9 Ų31.92%0.02314%0.143CC..  trans-62-29.9-175.582-168.417800112.2H154 N204 R242 D693 R697H154-E695 PolarHBondContact CE1-O 2.89Å; H154-E695 PolarHBondContact ND1-O 2.74Å; N204-E695 PolarHBondContact ND2-OE1 3.24Å; R242-E695 WeakPolarHBondContact CD-O 3.19Å; R242-E695 PolarHBondContact NE-O 2.93Å; D693-E695 WeakPolarHBondContact OD1-CB 3.36Å; D693-E695 WeakPolarHBondContact OD1-CG 3.39Å; D693-E695 PolarHBondContact OD1-N 3.48Å; E695-R697 HydrophobicContact CG-CB 3.95Å; E695-R697 HydrophobicContact CG-CG 4.01Å
696G92.6Very high94.6Very high0 Ų032 Ų320%014%0.143CC..  trans64.749.9179.100000112H154 N177 Y694H154-G696 PolarHBondContact ND1-O 3.46Å; N177-G696 VanDerWaalsContact CB-O 3.28Å; N177-G696 WeakPolarHBondContact CB-O 3.32Å; Y694-G696 PolarHBondContact O-N 3.27Å; Y694-G696 VanDerWaalsContact O-N 3.16Å
697R94.3Very high94.6Very high17 Ų1726.3 Ų26.36%0.06412%0.122CC..  trans-118.5161.8171.6-66.8177-179.7177.7-6.4110.4D175 N204 Q209 E359 E695D175-R697 VanDerWaalsContact CG-CZ 3.45Å; D175-R697 VanDerWaalsContact CG-NE 3.3Å; D175-R697 IonicContact OD1-CZ 3.77Å; D175-R697 IonicContact OD1-NE 2.72Å; D175-R697 PolarHBondContact OD1-NE 3.18Å; D175-R697 IonicContact OD1-NH1 2.92Å; D175-R697 IonicContact OD1-NH2 3.88Å; D175-R697 PolarHBondContact OD1-NH2 3.02Å; D175-R697 VanDerWaalsContact OD1-NH2 3.13Å; D175-R697 IonicContact OD2-CZ 3.91Å; D175-R697 IonicContact OD2-NE 2.78Å; D175-R697 PolarHBondContact OD2-NE 2.89Å; D175-R697 IonicContact OD2-NH2 2.94Å; D175-R697 PolarHBondContact OD2-NH2 3.44Å; N204-R697 WeakPolarHBondContact ND2-CB 3.49Å; Q209-R697 PolarHBondContact NE2-O 3.39Å; E359-R697 IonicContact OE1-NH2 3.99Å; E695-R697 HydrophobicContact CG-CB 3.95Å; E695-R697 HydrophobicContact CG-CG 4.01Å
698S95.1Very high94.5Very high4 Ų429.2 Ų29.23%0.02814%0.136CC..  trans-71.7146.5176.8-62.60000111.6F176 N177 H178 N204F176-S698 WeakPolarHBondContact CD2-OG 3.46Å; F176-S698 WeakPolarHBondContact CE2-OG 3.44Å; F176-S698 WeakPolarHBondContact O-CB 3.13Å; F176-S698 PolarHBondContact O-N 2.99Å; F176-S698 PolarHBondContact O-OG 3.17Å; N177-S698 WeakPolarHBondContact CA-OG 3.3Å; H178-S698 PolarHBondContact N-OG 2.91Å; H178-S698 WeakPolarHBondContact ND1-CB 3.49Å; H178-S698 PolarHBondContact ND1-OG 2.95Å; N204-S698 WeakPolarHBondContact CB-O 3.25Å; N204-S698 PolarHBondContact ND2-O 3.14Å
699D93.6Very high94.4Very high18 Ų1828.5 Ų28.510%0.09615%0.145CC..  trans-83.9165.3171.452.334.1000111.1H178 K179 Y207 Q209 E701 A702 M703H178-D699 IonicContact CE1-OD1 3.22Å; K179-D699 IonicContact NZ-OD2 2.68Å; K179-D699 PolarHBondContact NZ-OD2 2.98Å; Y207-D699 WeakPolarHBondContact O-CB 3.2Å; Q209-D699 HydrophobicContact CB-CB 4.09Å; D699-E701 VanDerWaalsContact C-N 3.29Å; D699-E701 PolarHBondContact O-N 3.36Å; D699-A702 PolarHBondContact O-N 2.81Å; D699-A702 VanDerWaalsContact O-N 3.13Å; D699-A702 WeakPolarHBondContact OD1-CB 3.32Å; D699-A702 PolarHBondContact OD1-N 3.39Å; D699-M703 VanDerWaalsContact O-CG 3.31Å; D699-M703 WeakPolarHBondContact O-CG 3.12Å; D699-M703 PolarHBondContact O-N 3.4Å
700G93.7Very high94.3Very high1 Ų127.5 Ų27.51%0.0114%0.139CC..Hα-helixtrans-60.1-35.3-176.100000114.7N204 T205 Y207 A702 M703 K704N204-G700 PolarHBondContact O-N 2.84Å; T205-G700 VanDerWaalsContact O-CA 3.29Å; T205-G700 WeakPolarHBondContact O-CA 3.44Å; Y207-G700 PolarHBondContact O-N 3.06Å; G700-A702 PolarHBondContact O-N 3.35Å; G700-M703 PolarHBondContact O-N 2.51Å; G700-K704 WeakPolarHBondContact O-CB 3.49Å; G700-K704 WeakPolarHBondContact O-CG 3.23Å; G700-K704 PolarHBondContact O-N 3.31Å
701E94.5Very high94.3Very high106 Ų10634.8 Ų34.850%0.49516%0.163SC..Hα-helixtrans-65.4-38.7177-73.4-58118.200112.2D699 K704 R705D699-E701 VanDerWaalsContact C-N 3.29Å; D699-E701 PolarHBondContact O-N 3.36Å; E701-K704 IonicContact OE1-NZ 2.79Å; E701-K704 PolarHBondContact OE1-NZ 2.94Å; E701-R705 PolarHBondContact O-N 2.82Å
702A95.1Very high94.3Very high2 Ų233.5 Ų33.52%0.01716%0.158CC..Hα-helixtrans-72.1-40.4174.300000112.8H178 D699 G700 K704 R705 I706H178-A702 WeakPolarHBondContact CE1-CB 3.1Å; H178-A702 WeakPolarHBondContact ND1-CB 3.49Å; H178-A702 VanDerWaalsContact NE2-CB 3.31Å; H178-A702 WeakPolarHBondContact NE2-CB 3.43Å; D699-A702 PolarHBondContact O-N 2.81Å; D699-A702 VanDerWaalsContact O-N 3.13Å; D699-A702 WeakPolarHBondContact OD1-CB 3.32Å; D699-A702 PolarHBondContact OD1-N 3.39Å; G700-A702 PolarHBondContact O-N 3.35Å; A702-K704 VanDerWaalsContact C-N 3.33Å; A702-K704 PolarHBondContact O-N 3.37Å; A702-R705 PolarHBondContact O-N 2.92Å; A702-R705 VanDerWaalsContact O-N 3.12Å; A702-I706 WeakPolarHBondContact O-CB 2.99Å; A702-I706 WeakPolarHBondContact O-CD1 3.44Å; A702-I706 VanDerWaalsContact O-CG1 3.28Å; A702-I706 WeakPolarHBondContact O-CG1 3.29Å; A702-I706 PolarHBondContact O-N 3.42Å
703M95.6Very high94.2Very high6 Ų634.9 Ų34.93%0.0316%0.164CC..Hα-helixtrans-57-47.9176-66.4169.975.200110.8F176 M200 D201 N204 D699 G700 R705 I706 L707 L728F176-M703 HydrophobicContact CZ-CG 4.12Å; M200-M703 HydrophobicContact CG-CE 4.45Å; M200-M703 HydrophobicContact SD-CE 4.2Å; D201-M703 WeakPolarHBondContact O-CE 3.33Å; N204-M703 HydrophobicContact CB-SD 4.07Å; D699-M703 VanDerWaalsContact O-CG 3.31Å; D699-M703 WeakPolarHBondContact O-CG 3.12Å; D699-M703 PolarHBondContact O-N 3.4Å; G700-M703 PolarHBondContact O-N 2.51Å; M703-R705 VanDerWaalsContact C-N 3.33Å; M703-R705 PolarHBondContact O-N 3.16Å; M703-I706 PolarHBondContact O-N 3.23Å; M703-L707 WeakPolarHBondContact O-CG 3.45Å; M703-L707 PolarHBondContact O-N 3.5Å; M703-L728 HydrophobicContact CE-CD2 4.12Å
704K95.7Very high94.3Very high25 Ų2535.1 Ų35.111%0.10917%0.165CC..Hα-helixtrans-55.8-44.1173.5-71.8170.4-162170.10112.6G700 E701 A702 I708 L728 Y731G700-K704 WeakPolarHBondContact O-CB 3.49Å; G700-K704 WeakPolarHBondContact O-CG 3.23Å; G700-K704 PolarHBondContact O-N 3.31Å; E701-K704 IonicContact OE1-NZ 2.79Å; E701-K704 PolarHBondContact OE1-NZ 2.94Å; A702-K704 VanDerWaalsContact C-N 3.33Å; A702-K704 PolarHBondContact O-N 3.37Å; K704-I708 WeakPolarHBondContact O-CG1 3.24Å; K704-I708 PolarHBondContact O-N 2.73Å; K704-I708 VanDerWaalsContact O-N 3.15Å; K704-L728 HydrophobicContact CG-CD1 4.32Å; K704-Y731 HydrophobicContact CB-CD1 4.23Å; K704-Y731 HydrophobicContact CB-CE1 3.64Å; K704-Y731 HydrophobicContact CB-CE2 4.2Å; K704-Y731 HydrophobicContact CD-CD2 3.91Å; K704-Y731 HydrophobicContact CD-CE1 4.48Å; K704-Y731 HydrophobicContact CD-CE2 3.77Å; K704-Y731 HydrophobicContact CD-CG 4.31Å; K704-Y731 HydrophobicContact CG-CD1 3.84Å; K704-Y731 HydrophobicContact CG-CD2 4.05Å; K704-Y731 HydrophobicContact CG-CE1 3.75Å; K704-Y731 HydrophobicContact CG-CE2 3.95Å; K704-Y731 HydrophobicContact CG-CG 3.98Å
705R95Very high94.4Very high163 Ų16335 Ų3562%0.61517%0.165SC*.Hα-helixtrans-67.1-40.7178.8-168.9-177.1-59.11307.5112.2E701 A702 M703 I708 G709E701-R705 PolarHBondContact O-N 2.82Å; A702-R705 PolarHBondContact O-N 2.92Å; A702-R705 VanDerWaalsContact O-N 3.12Å; M703-R705 VanDerWaalsContact C-N 3.33Å; M703-R705 PolarHBondContact O-N 3.16Å; R705-I708 PolarHBondContact O-N 3.28Å; R705-G709 PolarHBondContact O-N 2.86Å; R705-G709 VanDerWaalsContact O-N 3.08Å
706I95.3Very high94.8Very high27 Ų2734.8 Ų34.814%0.13816%0.164CC..Hα-helixtrans-64.7-44.7177.5-71.3161.8000109.9F176 H178 F189 A702 M703 I708 G709 L710F176-I706 HydrophobicContact CD2-CD1 4.25Å; F176-I706 HydrophobicContact CE2-CD1 3.58Å; H178-I706 HydrophobicContact CB-CD1 3.93Å; F189-I706 HydrophobicContact CD1-CG2 4.43Å; F189-I706 HydrophobicContact CD2-CG2 3.92Å; F189-I706 HydrophobicContact CE1-CG2 4.29Å; F189-I706 HydrophobicContact CE2-CD1 4.06Å; F189-I706 HydrophobicContact CE2-CG1 4.49Å; F189-I706 HydrophobicContact CE2-CG2 3.78Å; F189-I706 HydrophobicContact CG-CG2 4.24Å; F189-I706 HydrophobicContact CZ-CG2 3.97Å; A702-I706 WeakPolarHBondContact O-CB 2.99Å; A702-I706 WeakPolarHBondContact O-CD1 3.44Å; A702-I706 VanDerWaalsContact O-CG1 3.28Å; A702-I706 WeakPolarHBondContact O-CG1 3.29Å; A702-I706 PolarHBondContact O-N 3.42Å; M703-I706 PolarHBondContact O-N 3.23Å; I706-I708 VanDerWaalsContact C-N 3.33Å; I706-I708 PolarHBondContact O-N 2.88Å; I706-G709 PolarHBondContact O-N 3.43Å; I706-L710 HydrophobicContact CG2-CD1 3.71Å; I706-L710 HydrophobicContact CG2-CG 4.1Å; I706-L710 WeakPolarHBondContact O-CB 3.31Å; I706-L710 WeakPolarHBondContact O-CG 3.49Å; I706-L710 PolarHBondContact O-N 3.36Å
707L95.2Very high95Very high0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-58.2-43.3175.7-75.2172000112.5L198 M200 M703 G709 L710 R711 P712 I715 L728 M736L198-L707 HydrophobicContact CD2-CD2 3.46Å; L198-L707 VanDerWaalsContact CD2-CD2 3.46Å; M200-L707 HydrophobicContact CE-CD2 4.05Å; M200-L707 HydrophobicContact CE-CG 4.34Å; M200-L707 HydrophobicContact SD-CD1 4.23Å; M200-L707 HydrophobicContact SD-CD2 3.98Å; M200-L707 HydrophobicContact SD-CG 4.14Å; M703-L707 WeakPolarHBondContact O-CG 3.45Å; M703-L707 PolarHBondContact O-N 3.5Å; L707-G709 VanDerWaalsContact C-N 3.3Å; L707-G709 PolarHBondContact O-N 3.42Å; L707-L710 PolarHBondContact O-N 2.77Å; L707-R711 PolarHBondContact O-N 2.64Å; L707-P712 HydrophobicContact CD2-CG 4.3Å; L707-I715 HydrophobicContact CD1-CD1 4.44Å; L707-I715 HydrophobicContact CD2-CD1 3.53Å; L707-L728 HydrophobicContact CD1-CD1 3.64Å; L707-L728 HydrophobicContact CD1-CD2 4.2Å; L707-L728 HydrophobicContact CD1-CG 4.04Å; L707-M736 HydrophobicContact CB-CE 4.35Å; L707-M736 HydrophobicContact CB-SD 3.77Å; L707-M736 WeakPolarHBondContact O-CE 3.46Å
708I94.1Very high95.1Very high72 Ų7234.1 Ų34.137%0.36916%0.161SC..Hα-helixtrans-60.7-40174.2-73173.8000111.9K704 R705 I706 R711 Y731 V735 M736K704-I708 WeakPolarHBondContact O-CG1 3.24Å; K704-I708 PolarHBondContact O-N 2.73Å; K704-I708 VanDerWaalsContact O-N 3.15Å; R705-I708 PolarHBondContact O-N 3.28Å; I706-I708 VanDerWaalsContact C-N 3.33Å; I706-I708 PolarHBondContact O-N 2.88Å; I708-R711 WeakPolarHBondContact O-CG 3.44Å; I708-Y731 HydrophobicContact CD1-CE1 4.41Å; I708-Y731 WeakPolarHBondContact CD1-OH 3.35Å; I708-Y731 HydrophobicContact CG1-CE1 4.45Å; I708-V735 HydrophobicContact CD1-CG1 4.46Å; I708-M736 HydrophobicContact CG1-CG 4.39Å
709G93.1Very high94.8Very high47 Ų4734.2 Ų34.249%0.48516%0.163SC..Hα-helixtrans-69.7-40178.400000112.8R705 I706 L707R705-G709 PolarHBondContact O-N 2.86Å; R705-G709 VanDerWaalsContact O-N 3.08Å; I706-G709 PolarHBondContact O-N 3.43Å; L707-G709 VanDerWaalsContact C-N 3.3Å; L707-G709 PolarHBondContact O-N 3.42Å
710L95.3Very high94.4Very high3 Ų334.9 Ų34.92%0.01617%0.166CC..Hα-helixtrans-73.1-39.2-178.9-74.4179.8000112.7F189 C192 R194 L198 I706 L707F189-L710 HydrophobicContact CB-CD2 3.8Å; F189-L710 HydrophobicContact CD1-CD1 3.78Å; F189-L710 HydrophobicContact CD1-CD2 3.96Å; F189-L710 HydrophobicContact CD1-CG 4.32Å; F189-L710 HydrophobicContact CE1-CD1 4.05Å; F189-L710 HydrophobicContact CG-CD1 4.41Å; F189-L710 HydrophobicContact CG-CD2 4.19Å; C192-L710 HydrophobicContact CB-CD2 3.86Å; C192-L710 WeakPolarHBondContact O-CD2 3.26Å; R194-L710 WeakPolarHBondContact CA-O 3.46Å; R194-L710 PolarHBondContact N-O 2.97Å; L198-L710 HydrophobicContact CD1-CD1 4.48Å; L198-L710 HydrophobicContact CD2-CD1 4.04Å; I706-L710 HydrophobicContact CG2-CD1 3.71Å; I706-L710 HydrophobicContact CG2-CG 4.1Å; I706-L710 WeakPolarHBondContact O-CB 3.31Å; I706-L710 WeakPolarHBondContact O-CG 3.49Å; I706-L710 PolarHBondContact O-N 3.36Å; L707-L710 PolarHBondContact O-N 2.77Å
711R94.3Very high94.2Very high180 Ų18036.2 Ų36.268%0.67917%0.173SC*.  trans48.856.2-174.2-55-176.3-179.6172.6-2.8113.1R194 L707 I708R194-R711 WeakPolarHBondContact CA-O 3.46Å; L707-R711 PolarHBondContact O-N 2.64Å; I708-R711 WeakPolarHBondContact O-CG 3.44Å
712P95.6Very high93.9Very high4 Ų433.7 Ų33.73%0.02617%0.171CC..  trans-53.2142.9171.826.5-37.1000111.3P195 L198 L707 M736 L738P195-P712 HydrophobicContact CG-CB 3.97Å; L198-P712 HydrophobicContact CB-CB 3.77Å; L198-P712 HydrophobicContact CB-CG 4.44Å; L198-P712 HydrophobicContact CD2-CB 4.15Å; L198-P712 HydrophobicContact CD2-CG 3.97Å; L707-P712 HydrophobicContact CD2-CG 4.3Å; P712-M736 HydrophobicContact CG-CE 4.07Å; P712-L738 WeakPolarHBondContact O-CD1 3.48Å
713Q93.5Very high93.8Very high46 Ų4637.1 Ų37.122%0.21519%0.193CC..SBendtrans-78.1-35.7173.5-60.4177.443.400110.9R194 P195 H196R194-Q713 HydrophobicContact CG-CG 4.28Å; P195-Q713 PolarHBondContact O-N 3.31Å; H196-Q713 PolarHBondContact NE2-NE2 2.98Å
714E95.3Very high93.7Very high10 Ų1036.9 Ų36.95%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-141.7145.8177.7-173.1169.2-167.600109.6H196 L197 L198 Y742 H744 C754H196-E714 WeakPolarHBondContact O-CB 3.4Å; H196-E714 PolarHBondContact O-N 3.06Å; H196-E714 VanDerWaalsContact O-N 3.08Å; L197-E714 WeakPolarHBondContact CA-O 3.43Å; L197-E714 HydrophobicContact CD1-CB 4.36Å; L197-E714 HydrophobicContact CD1-CG 4.12Å; L198-E714 PolarHBondContact N-O 2.94Å; E714-Y742 WeakPolarHBondContact CA-O 3.38Å; E714-Y742 HydrophobicContact CB-CD1 4.45Å; E714-Y742 HydrophobicContact CG-CD1 4.17Å; E714-H744 IonicContact OE1-CD2 2.64Å; E714-H744 IonicContact OE1-CE1 3.73Å; E714-H744 IonicContact OE1-NE2 3.3Å; E714-H744 PolarHBondContact OE1-NE2 3.45Å; E714-C754 PolarHBondContact OE1-SG 3.03Å
715I96.8Very high93.6Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-135.4136.9-174.8-165.9169.7000111.5L198 L707 L717 L738 Y742 I743 H744L198-I715 HydrophobicContact CB-CG1 4.35Å; L198-I715 HydrophobicContact CD2-CD1 4.14Å; L198-I715 HydrophobicContact CD2-CG1 4.45Å; L198-I715 HydrophobicContact CG-CG1 4.45Å; L198-I715 CarbonylContact O-C 3.57Å; L198-I715 WeakPolarHBondContact O-CA 3.29Å; L198-I715 WeakPolarHBondContact O-CG1 3.3Å; L707-I715 HydrophobicContact CD1-CD1 4.44Å; L707-I715 HydrophobicContact CD2-CD1 3.53Å; I715-L717 HydrophobicContact CD1-CD2 3.56Å; I715-L717 HydrophobicContact CD1-CG 4.29Å; I715-L717 HydrophobicContact CG1-CD2 3.86Å; I715-L717 HydrophobicContact CG1-CG 4.25Å; I715-L738 HydrophobicContact CG2-CD2 4.08Å; I715-Y742 PolarHBondContact N-O 3.49Å; I715-I743 HydrophobicContact CG2-CB 4.14Å; I715-I743 HydrophobicContact CG2-CG1 3.87Å; I715-I743 HydrophobicContact CG2-CG2 4.03Å; I715-H744 PolarHBondContact O-N 2.85Å
716I97.6Very high93.6Very high0 Ų031.8 Ų31.80%018%0.178CC..EExtended strand (participates in β ladder)trans-112.8121.3167.1-62.6169.9000107.2L8 L197 L198 I199 M200 V718 H744 P746 V752L8-I716 HydrophobicContact CB-CD1 3.9Å; L8-I716 HydrophobicContact CD2-CD1 3.64Å; L8-I716 HydrophobicContact CD2-CG2 3.9Å; L8-I716 HydrophobicContact CG-CD1 4.41Å; L197-I716 HydrophobicContact CD1-CD1 3.86Å; L197-I716 HydrophobicContact CD1-CG1 3.88Å; L197-I716 HydrophobicContact CD2-CD1 4.18Å; L198-I716 PolarHBondContact O-N 3.44Å; I199-I716 WeakPolarHBondContact CA-O 3.5Å; I199-I716 HydrophobicContact CG1-CB 4.34Å; I199-I716 HydrophobicContact CG1-CD1 4.29Å; M200-I716 PolarHBondContact N-O 3.01Å; I716-V718 HydrophobicContact CG2-CG1 3.97Å; I716-H744 HydrophobicContact CG1-CB 3.95Å; I716-P746 HydrophobicContact CG2-CG 3.8Å; I716-V752 HydrophobicContact CD1-CB 4.33Å; I716-V752 HydrophobicContact CD1-CG1 4.12Å; I716-V752 HydrophobicContact CG1-CG1 4.32Å
717L96.8Very high93.7Very high1 Ų134 Ų341%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-102112.6177.3-62.4176.7000109.2M200 I715 I725 L728 A729 I743 H744M200-L717 WeakPolarHBondContact O-CA 3.18Å; I715-L717 HydrophobicContact CD1-CD2 3.56Å; I715-L717 HydrophobicContact CD1-CG 4.29Å; I715-L717 HydrophobicContact CG1-CD2 3.86Å; I715-L717 HydrophobicContact CG1-CG 4.25Å; L717-I725 HydrophobicContact CB-CG2 3.77Å; L717-I725 HydrophobicContact CD1-CG2 4.45Å; L717-L728 HydrophobicContact CD1-CB 4.08Å; L717-L728 HydrophobicContact CD1-CD2 4.41Å; L717-L728 HydrophobicContact CD1-CG 4.22Å; L717-L728 HydrophobicContact CD2-CD2 3.68Å; L717-L728 HydrophobicContact CD2-CG 4.26Å; L717-A729 HydrophobicContact CD1-CB 3.84Å; L717-I743 HydrophobicContact CD1-CG2 4.45Å; L717-H744 PolarHBondContact N-O 3.16Å
718V95.1Very high93.7Very high1 Ų134 Ų341%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-105.9177.5176.5-60.50000110.4A14 Y22 L174 I199 M200 D201 G202 I716 P746A14-V718 HydrophobicContact CB-CB 4.43Å; A14-V718 HydrophobicContact CB-CG1 4.26Å; Y22-V718 HydrophobicContact CE1-CB 4.34Å; Y22-V718 HydrophobicContact CE1-CG1 3.99Å; Y22-V718 HydrophobicContact CE2-CG2 4.33Å; Y22-V718 WeakPolarHBondContact OH-CB 3.25Å; Y22-V718 WeakPolarHBondContact OH-CG2 3.44Å; L174-V718 HydrophobicContact CD2-CG2 3.67Å; I199-V718 HydrophobicContact CG2-CG1 4.38Å; I199-V718 HydrophobicContact CG2-CG2 4.49Å; M200-V718 WeakPolarHBondContact O-CG2 3.36Å; M200-V718 PolarHBondContact O-N 3.25Å; D201-V718 WeakPolarHBondContact CA-O 3.46Å; G202-V718 PolarHBondContact N-O 3.45Å; I716-V718 HydrophobicContact CG2-CG1 3.97Å; V718-P746 HydrophobicContact CG1-CG 4.28Å
719G90.1Very high93.8Very high6 Ų630.6 Ų30.66%0.06217%0.17CC..BIsolated β-bridgetrans125.9-177.4178.900000113.7G13 G15 D201 S203G13-G719 WeakPolarHBondContact O-CA 3.45Å; G13-G719 PolarHBondContact O-N 3.48Å; G15-G719 PolarHBondContact N-O 3.08Å; D201-G719 WeakPolarHBondContact OD1-CA 3.47Å; S203-G719 VanDerWaalsContact OG-CA 3.27Å; S203-G719 WeakPolarHBondContact OG-CA 3.41Å
720N84.8Confident93.9Very high32 Ų3232.9 Ų32.917%0.17117%0.171CC..SBendtrans-113.4-1-171.467.2-7.5000114.4D16 S203D16-N720 WeakPolarHBondContact O-CA 3.19Å; D16-N720 WeakPolarHBondContact O-CB 3.47Å; S203-N720 PolarHBondContact OG-N 2.62Å; S203-N720 VanDerWaalsContact OG-N 3.08Å; S203-N720 PolarHBondContact OG-OD1 3.3Å
721N88.2Confident93.9Very high29 Ų2935 Ų3516%0.15518%0.179CC..  trans-11189.2178.6-175.2-22.8000110.1S203 P723 A724 I725S203-N721 PolarHBondContact O-ND2 3.11Å; N721-P723 VanDerWaalsContact OD1-CD 3.29Å; N721-P723 WeakPolarHBondContact OD1-CD 3.38Å; N721-A724 HydrophobicContact CB-CB 3.92Å; N721-A724 VanDerWaalsContact CG-CB 3.42Å; N721-A724 PolarHBondContact O-N 3.43Å; N721-A724 VanDerWaalsContact O-N 3.07Å; N721-A724 WeakPolarHBondContact OD1-CB 3.31Å; N721-A724 PolarHBondContact OD1-N 2.93Å; N721-A724 VanDerWaalsContact OD1-N 3.08Å; N721-I725 WeakPolarHBondContact O-CG1 3.44Å; N721-I725 PolarHBondContact O-N 2.94Å
722A89.9Confident94Very high53 Ų5326.4 Ų26.444%0.43815%0.147SC..Hα-helixtrans-55.3-47.4-177.400000113.2A724 I725 D726A722-A724 VanDerWaalsContact C-N 3.27Å; A722-A724 PolarHBondContact O-N 3.4Å; A722-I725 PolarHBondContact O-N 3.3Å; A722-D726 WeakPolarHBondContact O-CB 3.43Å; A722-D726 PolarHBondContact O-N 3.02Å
723P92.5Very high93.9Very high75 Ų7530.3 Ų30.349%0.48716%0.161SC..Hα-helixtrans-56.4-38.1174.6-2632.9000114.1L206 N721 H727L206-P723 HydrophobicContact CD1-CB 4.11Å; N721-P723 VanDerWaalsContact OD1-CD 3.29Å; N721-P723 WeakPolarHBondContact OD1-CD 3.38Å; P723-H727 WeakPolarHBondContact O-CB 3.41Å; P723-H727 PolarHBondContact O-N 3.26Å; P723-H727 VanDerWaalsContact O-N 3.07Å
724A93.5Very high93.9Very high0 Ų030.7 Ų30.70%018%0.177CC..Hα-helixtrans-71.6-40.7178.300000112.4S203 T205 L206 N721 A722 H727 L728S203-A724 WeakPolarHBondContact O-CB 3.27Å; T205-A724 VanDerWaalsContact CB-O 3.31Å; T205-A724 WeakPolarHBondContact CB-O 3.5Å; L206-A724 HydrophobicContact CB-CB 4.36Å; L206-A724 HydrophobicContact CD1-CB 4.1Å; L206-A724 HydrophobicContact CG-CB 4Å; N721-A724 HydrophobicContact CB-CB 3.92Å; N721-A724 VanDerWaalsContact CG-CB 3.42Å; N721-A724 PolarHBondContact O-N 3.43Å; N721-A724 VanDerWaalsContact O-N 3.07Å; N721-A724 WeakPolarHBondContact OD1-CB 3.31Å; N721-A724 PolarHBondContact OD1-N 2.93Å; N721-A724 VanDerWaalsContact OD1-N 3.08Å; A722-A724 VanDerWaalsContact C-N 3.27Å; A722-A724 PolarHBondContact O-N 3.4Å; A724-H727 PolarHBondContact O-N 3.09Å; A724-L728 PolarHBondContact O-N 3.5Å
725I94.3Very high93.8Very high4 Ų434.2 Ų34.22%0.02120%0.199CC..Hα-helixtrans-63.6-46.5176.4-67164.5000110.4L717 N721 A722 H727 L728 A729 I745L717-I725 HydrophobicContact CB-CG2 3.77Å; L717-I725 HydrophobicContact CD1-CG2 4.45Å; N721-I725 WeakPolarHBondContact O-CG1 3.44Å; N721-I725 PolarHBondContact O-N 2.94Å; A722-I725 PolarHBondContact O-N 3.3Å; I725-H727 VanDerWaalsContact C-N 3.3Å; I725-H727 PolarHBondContact O-N 3.41Å; I725-L728 PolarHBondContact O-N 3.01Å; I725-L728 VanDerWaalsContact O-N 3.1Å; I725-A729 WeakPolarHBondContact O-CB 3.17Å; I725-A729 PolarHBondContact O-N 3.15Å; I725-I745 HydrophobicContact CG2-CB 4.44Å; I725-I745 HydrophobicContact CG2-CD1 4.22Å; I725-I745 HydrophobicContact CG2-CG1 4.06Å; I725-I745 HydrophobicContact CG2-CG2 3.63Å
726D95Very high93.5Very high77 Ų7736 Ų3641%0.41221%0.208SC..Hα-helixtrans-60.6-40.7176.6-75.7-27.2000111.8A722 L728 A729 N730A722-D726 WeakPolarHBondContact O-CB 3.43Å; A722-D726 PolarHBondContact O-N 3.02Å; D726-L728 VanDerWaalsContact C-N 3.34Å; D726-L728 PolarHBondContact O-N 3.33Å; D726-A729 PolarHBondContact O-N 3.23Å; D726-N730 WeakPolarHBondContact O-CB 3.38Å; D726-N730 PolarHBondContact O-N 3Å; D726-N730 PolarHBondContact O-ND2 3.37Å; D726-N730 VanDerWaalsContact O-ND2 3.16Å
727H95.6Very high93.2Very high75 Ų7543 Ų4335%0.34724%0.244SC..Hα-helixtrans-62.5-41175.3-175.2-75.9000111.8T205 L206 P723 A724 I725 Y731T205-H727 HydrophobicContact CG2-CB 4.4Å; L206-H727 HydrophobicContact CD2-CB 3.91Å; L206-H727 HydrophobicContact CG-CB 4.35Å; P723-H727 WeakPolarHBondContact O-CB 3.41Å; P723-H727 PolarHBondContact O-N 3.26Å; P723-H727 VanDerWaalsContact O-N 3.07Å; A724-H727 PolarHBondContact O-N 3.09Å; I725-H727 VanDerWaalsContact C-N 3.3Å; I725-H727 PolarHBondContact O-N 3.41Å; H727-Y731 PolarHBondContact O-N 3.47Å
728L95.5Very high92.9Very high0 Ų044.1 Ų44.10%025%0.25CS..Hα-helixtrans-68-41.4176.8-164.556.5000111.8M200 T205 M703 K704 L707 L717 A724 I725 D726 N730 Y731 C732M200-L728 HydrophobicContact SD-CD2 4.28Å; T205-L728 HydrophobicContact CG2-CB 3.8Å; T205-L728 HydrophobicContact CG2-CD1 3.91Å; T205-L728 HydrophobicContact CG2-CG 4.36Å; T205-L728 WeakPolarHBondContact OG1-CD2 3.43Å; M703-L728 HydrophobicContact CE-CD2 4.12Å; K704-L728 HydrophobicContact CG-CD1 4.32Å; L707-L728 HydrophobicContact CD1-CD1 3.64Å; L707-L728 HydrophobicContact CD1-CD2 4.2Å; L707-L728 HydrophobicContact CD1-CG 4.04Å; L717-L728 HydrophobicContact CD1-CB 4.08Å; L717-L728 HydrophobicContact CD1-CD2 4.41Å; L717-L728 HydrophobicContact CD1-CG 4.22Å; L717-L728 HydrophobicContact CD2-CD2 3.68Å; L717-L728 HydrophobicContact CD2-CG 4.26Å; A724-L728 PolarHBondContact O-N 3.5Å; I725-L728 PolarHBondContact O-N 3.01Å; I725-L728 VanDerWaalsContact O-N 3.1Å; D726-L728 VanDerWaalsContact C-N 3.34Å; D726-L728 PolarHBondContact O-N 3.33Å; L728-N730 VanDerWaalsContact C-N 3.34Å; L728-N730 PolarHBondContact O-N 3.11Å; L728-Y731 WeakPolarHBondContact O-CB 3.38Å; L728-Y731 PolarHBondContact O-N 2.88Å; L728-Y731 VanDerWaalsContact O-N 3.17Å; L728-C732 PolarHBondContact O-N 3.5Å; L728-C732 PolarHBondContact O-SG 2.85Å; L728-C732 VanDerWaalsContact O-SG 3.38Å
729A96.3Very high92.7Very high0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-60.1-44.7175.800000111.5L717 I725 D726 Y731 C732 R733 I743 I745L717-A729 HydrophobicContact CD1-CB 3.84Å; I725-A729 WeakPolarHBondContact O-CB 3.17Å; I725-A729 PolarHBondContact O-N 3.15Å; D726-A729 PolarHBondContact O-N 3.23Å; A729-Y731 VanDerWaalsContact C-N 3.3Å; A729-Y731 PolarHBondContact O-N 2.79Å; A729-C732 WeakPolarHBondContact O-CB 3.4Å; A729-C732 PolarHBondContact O-N 3.29Å; A729-R733 WeakPolarHBondContact O-CG 3.12Å; A729-R733 PolarHBondContact O-N 2.8Å; A729-I743 HydrophobicContact CB-CG2 3.9Å; A729-I745 HydrophobicContact CB-CD1 3.63Å; A729-I745 HydrophobicContact CB-CG1 4.3Å
730N96Very high92.8Very high94 Ų9451 Ų5150%0.50329%0.29SS..Hα-helixtrans-63.8-36.1175.8-71.5-27.2000112.2D726 L728 R733 G734D726-N730 WeakPolarHBondContact O-CB 3.38Å; D726-N730 PolarHBondContact O-N 3Å; D726-N730 PolarHBondContact O-ND2 3.37Å; D726-N730 VanDerWaalsContact O-ND2 3.16Å; L728-N730 VanDerWaalsContact C-N 3.34Å; L728-N730 PolarHBondContact O-N 3.11Å; N730-R733 PolarHBondContact O-N 3.21Å; N730-R733 PolarHBondContact OD1-NH1 3.11Å; N730-G734 PolarHBondContact O-N 2.92Å
731Y95.8Very high93.1Very high47 Ų4755.2 Ų55.218%0.18431%0.313CS..Hα-helixtrans-63.2-43.7172.5-176.3-92.7000112K704 I708 H727 L728 A729 G734 V735 M736K704-Y731 HydrophobicContact CB-CD1 4.23Å; K704-Y731 HydrophobicContact CB-CE1 3.64Å; K704-Y731 HydrophobicContact CB-CE2 4.2Å; K704-Y731 HydrophobicContact CD-CD2 3.91Å; K704-Y731 HydrophobicContact CD-CE1 4.48Å; K704-Y731 HydrophobicContact CD-CE2 3.77Å; K704-Y731 HydrophobicContact CD-CG 4.31Å; K704-Y731 HydrophobicContact CG-CD1 3.84Å; K704-Y731 HydrophobicContact CG-CD2 4.05Å; K704-Y731 HydrophobicContact CG-CE1 3.75Å; K704-Y731 HydrophobicContact CG-CE2 3.95Å; K704-Y731 HydrophobicContact CG-CG 3.98Å; I708-Y731 HydrophobicContact CD1-CE1 4.41Å; I708-Y731 WeakPolarHBondContact CD1-OH 3.35Å; I708-Y731 HydrophobicContact CG1-CE1 4.45Å; H727-Y731 PolarHBondContact O-N 3.47Å; L728-Y731 WeakPolarHBondContact O-CB 3.38Å; L728-Y731 PolarHBondContact O-N 2.88Å; L728-Y731 VanDerWaalsContact O-N 3.17Å; A729-Y731 VanDerWaalsContact C-N 3.3Å; A729-Y731 PolarHBondContact O-N 2.79Å; Y731-G734 PolarHBondContact O-N 2.97Å; Y731-V735 HydrophobicContact CD2-CB 4.2Å; Y731-V735 HydrophobicContact CD2-CG2 3.71Å; Y731-V735 HydrophobicContact CE1-CB 4.3Å; Y731-V735 HydrophobicContact CE1-CG1 4.41Å; Y731-V735 HydrophobicContact CE2-CB 3.97Å; Y731-V735 HydrophobicContact CE2-CG1 4.12Å; Y731-V735 HydrophobicContact CE2-CG2 3.62Å; Y731-V735 HydrophobicContact CG-CB 4.49Å; Y731-V735 HydrophobicContact CG-CG2 4.36Å; Y731-V735 WeakPolarHBondContact O-CB 3.1Å; Y731-V735 PolarHBondContact O-N 3.33Å; Y731-M736 PolarHBondContact O-N 3.47Å
732C95.4Very high93.3Very high1 Ų159.1 Ų59.11%0.00733%0.326CS..Hα-helixtrans-61.9-42.3175.2-67.10000112.2L728 A729 M736 L737 L738 I743L728-C732 PolarHBondContact O-N 3.5Å; L728-C732 PolarHBondContact O-SG 2.85Å; L728-C732 VanDerWaalsContact O-SG 3.38Å; A729-C732 WeakPolarHBondContact O-CB 3.4Å; A729-C732 PolarHBondContact O-N 3.29Å; C732-M736 CarbonylContact O-C 3.56Å; C732-M736 WeakPolarHBondContact O-CB 3.29Å; C732-M736 PolarHBondContact O-N 2.78Å; C732-L737 PolarHBondContact O-N 3.11Å; C732-L738 PolarHBondContact O-N 2.86Å; C732-I743 HydrophobicContact CB-CD1 3.73Å; C732-I743 HydrophobicContact CB-CG1 4.32Å
733R94.8Very high93.6Very high86 Ų8657 Ų5733%0.32531%0.307SS..Hα-helixtrans-64.6-50.5175.9-68177.5-166.2125.31.2112.1A729 N730 L737 I743A729-R733 WeakPolarHBondContact O-CG 3.12Å; A729-R733 PolarHBondContact O-N 2.8Å; N730-R733 PolarHBondContact O-N 3.21Å; N730-R733 PolarHBondContact OD1-NH1 3.11Å; R733-L737 WeakPolarHBondContact O-CA 3.3Å; R733-L737 PolarHBondContact O-N 2.9Å; R733-I743 HydrophobicContact CB-CD1 4.27Å; R733-I743 HydrophobicContact CG-CD1 3.28Å
734G92.8Very high93.8Very high53 Ų5355.3 Ų55.355%0.54629%0.293SS..Hα-helixtrans-79.7-45.3-170.700000114.1N730 Y731N730-G734 PolarHBondContact O-N 2.92Å; Y731-G734 PolarHBondContact O-N 2.97Å
735V92.3Very high93.9Very high84 Ų8457.8 Ų57.851%0.50931%0.305SS..THydrogen-bonded Turntrans-95.3-41.4-171.8-178.10000111.8I708 Y731 L737I708-V735 HydrophobicContact CD1-CG1 4.46Å; Y731-V735 HydrophobicContact CD2-CB 4.2Å; Y731-V735 HydrophobicContact CD2-CG2 3.71Å; Y731-V735 HydrophobicContact CE1-CB 4.3Å; Y731-V735 HydrophobicContact CE1-CG1 4.41Å; Y731-V735 HydrophobicContact CE2-CB 3.97Å; Y731-V735 HydrophobicContact CE2-CG1 4.12Å; Y731-V735 HydrophobicContact CE2-CG2 3.62Å; Y731-V735 HydrophobicContact CG-CB 4.49Å; Y731-V735 HydrophobicContact CG-CG2 4.36Å; Y731-V735 WeakPolarHBondContact O-CB 3.1Å; Y731-V735 PolarHBondContact O-N 3.33Å; V735-L737 VanDerWaalsContact C-N 3.35Å
736M91.9Very high94Very high38 Ų3857.7 Ų57.719%0.18731%0.305CS..SBendtrans-86.5-9.8178.2-61.9175.559.900113.1L707 I708 P712 Y731 C732 L738L707-M736 HydrophobicContact CB-CE 4.35Å; L707-M736 HydrophobicContact CB-SD 3.77Å; L707-M736 WeakPolarHBondContact O-CE 3.46Å; I708-M736 HydrophobicContact CG1-CG 4.39Å; P712-M736 HydrophobicContact CG-CE 4.07Å; Y731-M736 PolarHBondContact O-N 3.47Å; C732-M736 CarbonylContact O-C 3.56Å; C732-M736 WeakPolarHBondContact O-CB 3.29Å; C732-M736 PolarHBondContact O-N 2.78Å; M736-L738 PolarHBondContact O-N 3.05Å
737L90.8Very high93.8Very high146 Ų14660 Ų6076%0.76431%0.313SS*.  trans54.733.7-178.9-56.5172.6000112.3C732 R733 V735C732-L737 PolarHBondContact O-N 3.11Å; R733-L737 WeakPolarHBondContact O-CA 3.3Å; R733-L737 PolarHBondContact O-N 2.9Å; V735-L737 VanDerWaalsContact C-N 3.35Å
738L91Very high93.4Very high26 Ų2658.7 Ų58.714%0.13631%0.311CS..  trans-73.3137.4173.9-136.478.5000109.1P712 I715 C732 M736 I743P712-L738 WeakPolarHBondContact O-CD1 3.48Å; I715-L738 HydrophobicContact CG2-CD2 4.08Å; C732-L738 PolarHBondContact O-N 2.86Å; M736-L738 PolarHBondContact O-N 3.05Å; L738-I743 HydrophobicContact CB-CD1 3.99Å; L738-I743 HydrophobicContact CB-CG1 4.17Å; L738-I743 HydrophobicContact CD2-CG1 3.82Å
739D90.6Very high93.1Very high72 Ų7263.2 Ų63.239%0.38533%0.328SS..  trans-57.8133.8175.3-168.2-54.5000109.5N741 Y742D739-N741 PolarHBondContact O-N 3.22Å; D739-N741 VanDerWaalsContact OD1-CB 3.31Å; D739-N741 WeakPolarHBondContact OD1-CB 3.34Å; D739-N741 PolarHBondContact OD1-N 2.69Å; D739-N741 PolarHBondContact OD1-ND2 3.23Å; D739-Y742 HydrophobicContact CB-CD2 3.58Å; D739-Y742 HydrophobicContact CB-CE2 4.01Å; D739-Y742 PolarHBondContact O-N 3.27Å
740P91.4Very high93Very high79 Ų7966.7 Ų66.751%0.51335%0.345SS..G310 helixtrans-51.6-28.9175.7-27.735.1000114.4Y742 I743P740-Y742 PolarHBondContact O-N 3.01Å; P740-I743 PolarHBondContact O-N 3.03Å
741N91.2Very high92.9Very high121 Ų12164.9 Ų64.965%0.64733%0.334SS*.G310 helixtrans-70.2-16.3177.9-62.2-48.8000113.8D739 H744D739-N741 PolarHBondContact O-N 3.22Å; D739-N741 VanDerWaalsContact OD1-CB 3.31Å; D739-N741 WeakPolarHBondContact OD1-CB 3.34Å; D739-N741 PolarHBondContact OD1-N 2.69Å; D739-N741 PolarHBondContact OD1-ND2 3.23Å; N741-H744 PolarHBondContact O-CE1 3.05Å; N741-H744 VanDerWaalsContact O-CE1 3.24Å
742Y93.5Very high92.9Very high111 Ų11163 Ų6344%0.43533%0.328SS..G310 helixtrans-105.113178.1-60.4-53000112.8E714 I715 D739 P740E714-Y742 WeakPolarHBondContact CA-O 3.38Å; E714-Y742 HydrophobicContact CB-CD1 4.45Å; E714-Y742 HydrophobicContact CG-CD1 4.17Å; I715-Y742 PolarHBondContact N-O 3.49Å; D739-Y742 HydrophobicContact CB-CD2 3.58Å; D739-Y742 HydrophobicContact CB-CE2 4.01Å; D739-Y742 PolarHBondContact O-N 3.27Å; P740-Y742 PolarHBondContact O-N 3.01Å
743I96.2Very high92.7Very high9 Ų967.3 Ų67.35%0.04635%0.351CS..EExtended strand (participates in β ladder)trans-120.6106.3175.4-57.7167.9000108I715 L717 A729 C732 R733 L738 P740I715-I743 HydrophobicContact CG2-CB 4.14Å; I715-I743 HydrophobicContact CG2-CG1 3.87Å; I715-I743 HydrophobicContact CG2-CG2 4.03Å; L717-I743 HydrophobicContact CD1-CG2 4.45Å; A729-I743 HydrophobicContact CB-CG2 3.9Å; C732-I743 HydrophobicContact CB-CD1 3.73Å; C732-I743 HydrophobicContact CB-CG1 4.32Å; R733-I743 HydrophobicContact CB-CD1 4.27Å; R733-I743 HydrophobicContact CG-CD1 3.28Å; L738-I743 HydrophobicContact CB-CD1 3.99Å; L738-I743 HydrophobicContact CB-CG1 4.17Å; L738-I743 HydrophobicContact CD2-CG1 3.82Å; P740-I743 PolarHBondContact O-N 3.03Å
744H96.3Very high92.5Very high38 Ų3863.4 Ų63.418%0.17634%0.336CS..EExtended strand (participates in β ladder)trans-105.4134.8-176.4-55.3-72.5000111E714 I715 I716 L717 N741 V752E714-H744 IonicContact OE1-CD2 2.64Å; E714-H744 IonicContact OE1-CE1 3.73Å; E714-H744 IonicContact OE1-NE2 3.3Å; E714-H744 PolarHBondContact OE1-NE2 3.45Å; I715-H744 PolarHBondContact O-N 2.85Å; I716-H744 HydrophobicContact CG1-CB 3.95Å; L717-H744 PolarHBondContact N-O 3.16Å; N741-H744 PolarHBondContact O-CE1 3.05Å; N741-H744 VanDerWaalsContact O-CE1 3.24Å; H744-V752 HydrophobicContact CB-CG1 3.8Å; H744-V752 HydrophobicContact CB-CG2 4.43Å; H744-V752 VanDerWaalsContact CG-CG1 3.43Å
745I95.7Very high92.3Very high52 Ų5262 Ų6227%0.26732%0.318SS..  trans-124.884.3172.8-54.1171.7000106.3I725 A729I725-I745 HydrophobicContact CG2-CB 4.44Å; I725-I745 HydrophobicContact CG2-CD1 4.22Å; I725-I745 HydrophobicContact CG2-CG1 4.06Å; I725-I745 HydrophobicContact CG2-CG2 3.63Å; A729-I745 HydrophobicContact CB-CD1 3.63Å; A729-I745 HydrophobicContact CB-CG1 4.3Å
746P94.8Very high91.3Very high2 Ų263.3 Ų63.31%0.01332%0.316CS..PPolyproline II helixtrans-69.7146.3-176.124.4-31.3000112.1T10 A14 I716 V718 E750 V752T10-P746 HydrophobicContact CG2-CB 3.7Å; T10-P746 HydrophobicContact CG2-CG 3.62Å; A14-P746 HydrophobicContact CB-CG 4.11Å; I716-P746 HydrophobicContact CG2-CG 3.8Å; V718-P746 HydrophobicContact CG1-CG 4.28Å; P746-E750 WeakPolarHBondContact CA-OE2 3.34Å; P746-E750 HydrophobicContact CB-CB 4.36Å; P746-V752 HydrophobicContact CB-CG2 3.68Å; P746-V752 HydrophobicContact CG-CG2 4.18Å
747H91.7Very high90.2Very high125 Ų12566 Ų6658%0.57933%0.329SS*.PPolyproline II helixtrans-83.8168.4165.1-68.2-62000111.5T10 A14 R749 E750T10-H747 PolarHBondContact OG1-O 3.13Å; A14-H747 CarbonylContact O-C 3.6Å; H747-R749 PolarHBondContact O-N 3.18Å; H747-E750 HydrophobicContact CB-CB 4.45Å; H747-E750 IonicContact CD2-OE2 3.8Å; H747-E750 IonicContact CG-OE2 3.23Å; H747-E750 PolarHBondContact N-OE2 3.18Å; H747-E750 VanDerWaalsContact O-CB 3.26Å; H747-E750 WeakPolarHBondContact O-CB 3.39Å; H747-E750 PolarHBondContact O-N 3.11Å
748P87.3Confident88.4Confident49 Ų4961.8 Ų61.832%0.31832%0.32SS..THydrogen-bonded Turntrans-60.2134.7174.4-20.832.2000110.4A14 D16 E750A14-P748 WeakPolarHBondContact O-CD 3.4Å; A14-P748 WeakPolarHBondContact O-CG 3.35Å; D16-P748 HydrophobicContact CB-CB 4.33Å; D16-P748 HydrophobicContact CB-CG 3.58Å; P748-E750 PolarHBondContact O-N 2.96Å
749R90.2Very high86.6Confident94 Ų9467 Ų6736%0.35535%0.348SS..THydrogen-bonded Turntrans65.418.5179.7-48.4169.7-165.1168.49.1114.1T10 D42 D44 H747T10-R749 WeakPolarHBondContact O-CA 3.41Å; T10-R749 PolarHBondContact O-N 3.18Å; D42-R749 IonicContact OD2-NH2 2.7Å; D42-R749 PolarHBondContact OD2-NH2 3.16Å; D44-R749 VanDerWaalsContact CB-CZ 3.48Å; D44-R749 IonicContact OD2-NH1 3.13Å; D44-R749 IonicContact OD2-NH2 3.52Å; H747-R749 PolarHBondContact O-N 3.18Å
750E93.3Very high85.2Confident74 Ų7466.6 Ų66.635%0.34635%0.345SS..  trans-83.4149.4174.6-170.2176.616800111.2H9 T10 P746 H747 P748H9-E750 WeakPolarHBondContact CA-O 3.49Å; H9-E750 PolarHBondContact CD2-O 3.33Å; T10-E750 PolarHBondContact N-O 3.01Å; T10-E750 PolarHBondContact OG1-N 3.33Å; T10-E750 PolarHBondContact OG1-O 2.91Å; P746-E750 WeakPolarHBondContact CA-OE2 3.34Å; P746-E750 HydrophobicContact CB-CB 4.36Å; H747-E750 HydrophobicContact CB-CB 4.45Å; H747-E750 IonicContact CD2-OE2 3.8Å; H747-E750 IonicContact CG-OE2 3.23Å; H747-E750 PolarHBondContact N-OE2 3.18Å; H747-E750 VanDerWaalsContact O-CB 3.26Å; H747-E750 WeakPolarHBondContact O-CB 3.39Å; H747-E750 PolarHBondContact O-N 3.11Å; P748-E750 PolarHBondContact O-N 2.96Å
751I94.7Very high84Confident55 Ų5571.6 Ų71.628%0.28236%0.355SS..EExtended strand (participates in β ladder)trans-109.8112.7172.8-56176.8000108.6K7 L8 H9K7-I751 HydrophobicContact CB-CG2 4.18Å; K7-I751 HydrophobicContact CD-CG2 4.41Å; L8-I751 CarbonylContact O-C 3.57Å; L8-I751 WeakPolarHBondContact O-CA 3.34Å; H9-I751 HydrophobicContact CB-CG1 3.98Å
752V94.5Very high82.9Confident7 Ų769.6 Ų69.64%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-89.7126.7172.9-174.50000108.9K7 L8 I716 H744 P746K7-V752 CarbonylContact C-O 3.49Å; K7-V752 VanDerWaalsContact CA-O 3.26Å; K7-V752 WeakPolarHBondContact CA-O 3.4Å; L8-V752 PolarHBondContact N-O 3.14Å; L8-V752 PolarHBondContact O-N 3.43Å; I716-V752 HydrophobicContact CD1-CB 4.33Å; I716-V752 HydrophobicContact CD1-CG1 4.12Å; I716-V752 HydrophobicContact CG1-CG1 4.32Å; H744-V752 HydrophobicContact CB-CG1 3.8Å; H744-V752 HydrophobicContact CB-CG2 4.43Å; H744-V752 VanDerWaalsContact CG-CG1 3.43Å; P746-V752 HydrophobicContact CB-CG2 3.68Å; P746-V752 HydrophobicContact CG-CG2 4.18Å
753N92.4Very high82.2Confident92 Ų9266.3 Ų66.349%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-104.1112.2176.4-174.93.1000110.3I6 K7 T755I6-N753 PolarHBondContact O-OD1 3.35Å; K7-N753 HydrophobicContact CG-CB 4.37Å; N753-T755 VanDerWaalsContact OD1-CB 3.24Å; N753-T755 WeakPolarHBondContact OD1-CB 3.43Å; N753-T755 PolarHBondContact OD1-N 2.86Å; N753-T755 VanDerWaalsContact OD1-N 3.1Å; N753-T755 PolarHBondContact OD1-OG1 3.5Å
754C91.1Very high81.6Confident4 Ų471.3 Ų71.33%0.02736%0.356CS..  trans-107.426.4-179.4-62.10000111.9I6 L197 E714 K756I6-C754 HydrophobicContact CB-CB 4.41Å; I6-C754 HydrophobicContact CG2-CB 4.37Å; I6-C754 PolarHBondContact O-N 3.18Å; L197-C754 HydrophobicContact CD1-CB 4.42Å; L197-C754 HydrophobicContact CD2-CB 4.26Å; E714-C754 PolarHBondContact OE1-SG 3.03Å; C754-K756 PolarHBondContact O-N 3.02Å
755T87Confident81.1Confident25 Ų2573.7 Ų73.715%0.15337%0.368CS..  trans-76.2121.2177-530000109.5I6 N753 I760I6-T755 PolarHBondContact N-OG1 3.48Å; I6-T755 PolarHBondContact O-OG1 3.19Å; N753-T755 VanDerWaalsContact OD1-CB 3.24Å; N753-T755 WeakPolarHBondContact OD1-CB 3.43Å; N753-T755 PolarHBondContact OD1-N 2.86Å; N753-T755 VanDerWaalsContact OD1-N 3.1Å; N753-T755 PolarHBondContact OD1-OG1 3.5Å; T755-I760 HydrophobicContact CG2-CD1 4.01Å
756K72.5Confident80.6Confident110 Ų11076.1 Ų76.148%0.47838%0.377SS..SBendtrans-72.8-33.4-171.6-75.3-166.3171-164.70115.7C754C754-K756 PolarHBondContact O-N 3.02Å
757E68.1Low80.1Confident96 Ų9682.7 Ų82.745%0.44941%0.412SS..  trans-91.1113176.5-84.9178-16400108.8T3 D759 I760T3-E757 HydrophobicContact CG2-CB 4.2Å; T3-E757 HydrophobicContact CG2-CG 3.7Å; T3-E757 VanDerWaalsContact CG2-OE1 3.31Å; T3-E757 WeakPolarHBondContact CG2-OE1 3.22Å; T3-E757 VanDerWaalsContact OG1-CD 3.31Å; T3-E757 PolarHBondContact OG1-OE2 3.24Å; E757-D759 PolarHBondContact O-N 3.45Å; E757-I760 HydrophobicContact CB-CD1 4.33Å; E757-I760 HydrophobicContact CB-CG1 4.38Å; E757-I760 PolarHBondContact O-N 2.94Å
758G52.6Low79.9Confident56 Ų5679.2 Ų79.258%0.57740%0.402SS*.THydrogen-bonded Turntrans-64.6-5179.100000114.6Y761G758-Y761 PolarHBondContact O-OH 3.38Å
759D54Low79.9Confident137 Ų13777 Ų7773%0.73339%0.387SS*.THydrogen-bonded Turntrans-98.52.4-175.1-62.5-30.5000113.5E757 Y761E757-D759 PolarHBondContact O-N 3.45Å; D759-Y761 WeakPolarHBondContact O-CD2 3.49Å; D759-Y761 PolarHBondContact O-N 2.87Å
760I61.1Low79.6Confident62 Ų6275.6 Ų75.632%0.31839%0.389SS..  trans-89.2104.1176-55.3170.6000110.1T3 I5 T755 E757T3-I760 WeakPolarHBondContact O-CD1 3.02Å; T3-I760 WeakPolarHBondContact OG1-CD1 3.44Å; I5-I760 HydrophobicContact CD1-CG2 3.81Å; I5-I760 HydrophobicContact CG1-CG2 3.82Å; T755-I760 HydrophobicContact CG2-CD1 4.01Å; E757-I760 HydrophobicContact CB-CD1 4.33Å; E757-I760 HydrophobicContact CB-CG1 4.38Å; E757-I760 PolarHBondContact O-N 2.94Å
761Y65.6Low79.3Confident184 Ų18476.8 Ų76.872%0.72241%0.406SS*.  trans-108.3129.2173.4-59.1-81000110.3G758 D759G758-Y761 PolarHBondContact O-OH 3.38Å; D759-Y761 WeakPolarHBondContact O-CD2 3.49Å; D759-Y761 PolarHBondContact O-N 2.87Å
762Q68.5Low79Confident79 Ų7976.9 Ų76.937%0.36941%0.411SS..  trans-87.7126.1172.4-167.6175.515.900108.7L842 P843Q762-L842 HydrophobicContact CB-CD2 3.82Å; Q762-L842 HydrophobicContact CG-CD1 4.09Å; Q762-L842 HydrophobicContact CG-CD2 3.94Å; Q762-P843 WeakPolarHBondContact O-CD 3.47Å; Q762-P843 WeakPolarHBondContact O-CG 3.36Å
763A79.3Confident78.6Confident43 Ų4377.9 Ų77.936%0.35542%0.416SS..  trans-131.5146.6179.200000110.3P843 L845A763-P843 CarbonylContact C-O 3.58Å; A763-P843 VanDerWaalsContact CA-O 3.24Å; A763-P843 WeakPolarHBondContact CA-O 3.4Å; A763-P843 HydrophobicContact CB-CG 4.09Å; A763-P843 WeakPolarHBondContact CB-O 3.39Å; A763-L845 HydrophobicContact CB-CD1 4.03Å; A763-L845 HydrophobicContact CB-CD2 4.26Å; A763-L845 HydrophobicContact CB-CG 3.94Å
764R82.1Confident78.2Confident113 Ų11382.1 Ų82.143%0.42643%0.43SS..EExtended strand (participates in β ladder)trans-97.8124.7179.4-170.8-175-66.8177.1-0.2109.4A839 D840 L842 P843 V844 L845R764-A839 PolarHBondContact NH2-O 2.85Å; R764-D840 IonicContact CZ-OD1 3.6Å; R764-D840 IonicContact NH1-OD1 3.64Å; R764-D840 PolarHBondContact NH1-OD1 2.87Å; R764-D840 IonicContact NH2-OD1 3.89Å; R764-D840 PolarHBondContact NH2-OD1 3.15Å; R764-L842 HydrophobicContact CB-CB 4.39Å; R764-P843 PolarHBondContact N-O 2.89Å; R764-V844 CarbonylContact O-C 3.49Å; R764-V844 VanDerWaalsContact O-CA 3.29Å; R764-V844 WeakPolarHBondContact O-CA 3.4Å; R764-L845 PolarHBondContact O-N 3.12Å
765M86Confident77.9Confident88 Ų8887.2 Ų87.243%0.43345%0.452SS..EExtended strand (participates in β ladder)trans-83.8133.6172.6-70.8-173.6-84.200111L769 V770 L845M765-L769 HydrophobicContact CB-CD2 4.27Å; M765-L769 HydrophobicContact CG-CD2 3.97Å; M765-L769 HydrophobicContact SD-CD2 4.21Å; M765-V770 HydrophobicContact CB-CG2 3.83Å; M765-L845 HydrophobicContact CG-CB 4.07Å; M765-L845 HydrophobicContact CG-CD1 3.79Å; M765-L845 HydrophobicContact CG-CG 4.41Å
766K85.9Confident77.6Confident103 Ų10388.4 Ų88.445%0.44846%0.46SS..PPolyproline II helixtrans-68.1146.3169.5-73.2-170-179.3171.50110.7S768 L769 V770 V844 L845K766-S768 PolarHBondContact O-N 3.05Å; K766-S768 VanDerWaalsContact O-N 3.12Å; K766-L769 WeakPolarHBondContact O-CA 3.32Å; K766-L769 WeakPolarHBondContact O-CB 3.23Å; K766-L769 PolarHBondContact O-N 2.84Å; K766-V770 PolarHBondContact O-N 3.26Å; K766-V770 VanDerWaalsContact O-N 3.11Å; K766-V844 HydrophobicContact CD-CG1 4.17Å; K766-V844 HydrophobicContact CG-CG1 3.53Å; K766-L845 PolarHBondContact N-O 3.09Å
767D84.7Confident77.7Confident140 Ų14090.2 Ų90.275%0.74947%0.467SS*.Hα-helixtrans-53.7-36.4175.8-60.3-20.8000112.7L769 V770 S771D767-L769 VanDerWaalsContact C-N 3.29Å; D767-L769 PolarHBondContact O-N 3.18Å; D767-V770 PolarHBondContact O-N 3.12Å; D767-S771 VanDerWaalsContact O-CB 3.3Å; D767-S771 WeakPolarHBondContact O-CB 3.46Å; D767-S771 PolarHBondContact O-N 2.7Å; D767-S771 PolarHBondContact O-OG 3.38Å; D767-S771 VanDerWaalsContact O-OG 3.09Å
768S86.5Confident77.9Confident52 Ų5286.8 Ų86.836%0.36445%0.452SS..Hα-helixtrans-59.2-37.8174.355.30000113.1K766 S771 S772K766-S768 PolarHBondContact O-N 3.05Å; K766-S768 VanDerWaalsContact O-N 3.12Å; S768-S771 WeakPolarHBondContact CA-OG 3.38Å; S768-S771 PolarHBondContact O-OG 3Å; S768-S772 PolarHBondContact O-N 3.18Å
769L87.4Confident78.7Confident2 Ų291.7 Ų91.71%0.0145%0.453CS..Hα-helixtrans-72-48.3176.8179.566.4000109.8M765 K766 D767 S771 S772 L773 V786 A788 L845 L847M765-L769 HydrophobicContact CB-CD2 4.27Å; M765-L769 HydrophobicContact CG-CD2 3.97Å; M765-L769 HydrophobicContact SD-CD2 4.21Å; K766-L769 WeakPolarHBondContact O-CA 3.32Å; K766-L769 WeakPolarHBondContact O-CB 3.23Å; K766-L769 PolarHBondContact O-N 2.84Å; D767-L769 VanDerWaalsContact C-N 3.29Å; D767-L769 PolarHBondContact O-N 3.18Å; L769-S771 VanDerWaalsContact C-N 3.3Å; L769-S771 PolarHBondContact O-N 3.36Å; L769-S772 WeakPolarHBondContact O-CB 3.45Å; L769-S772 PolarHBondContact O-N 2.94Å; L769-S772 PolarHBondContact O-OG 3.2Å; L769-L773 WeakPolarHBondContact O-CG 3.26Å; L769-V786 HydrophobicContact CD1-CG1 4.42Å; L769-V786 HydrophobicContact CD2-CG1 4.17Å; L769-V786 HydrophobicContact CG-CG1 4.48Å; L769-A788 HydrophobicContact CD1-CB 4.18Å; L769-A788 HydrophobicContact CD2-CB 3.6Å; L769-L845 HydrophobicContact CD2-CB 3.75Å; L769-L847 HydrophobicContact CD1-CD2 4.17Å; L769-L847 HydrophobicContact CD1-CG 4.42Å
770V85.5Confident79.6Confident66 Ų6692.3 Ų92.340%0.446%0.456SS..Hα-helixtrans-57.8-44179.2-178.90000111.3M765 K766 D767 S772 L773M765-V770 HydrophobicContact CB-CG2 3.83Å; K766-V770 PolarHBondContact O-N 3.26Å; K766-V770 VanDerWaalsContact O-N 3.11Å; D767-V770 PolarHBondContact O-N 3.12Å; V770-S772 PolarHBondContact O-N 3.41Å; V770-L773 WeakPolarHBondContact O-CB 3.39Å; V770-L773 PolarHBondContact O-N 3.04Å
771S87Confident80Confident99 Ų9997.7 Ų97.769%0.69247%0.474SS*.Hα-helixtrans-66.3-19.3178.268.40000114.3D767 S768 L769D767-S771 VanDerWaalsContact O-CB 3.3Å; D767-S771 WeakPolarHBondContact O-CB 3.46Å; D767-S771 PolarHBondContact O-N 2.7Å; D767-S771 PolarHBondContact O-OG 3.38Å; D767-S771 VanDerWaalsContact O-OG 3.09Å; S768-S771 WeakPolarHBondContact CA-OG 3.38Å; S768-S771 PolarHBondContact O-OG 3Å; L769-S771 VanDerWaalsContact C-N 3.3Å; L769-S771 PolarHBondContact O-N 3.36Å
772S86.4Confident80.7Confident57 Ų5794.6 Ų94.640%0.39947%0.466SS..Hα-helixtrans-86.3-13.4178.576.40000113.8S768 L769 V770 K774S768-S772 PolarHBondContact O-N 3.18Å; L769-S772 WeakPolarHBondContact O-CB 3.45Å; L769-S772 PolarHBondContact O-N 2.94Å; L769-S772 PolarHBondContact O-OG 3.2Å; V770-S772 PolarHBondContact O-N 3.41Å; S772-K774 PolarHBondContact O-N 3.03Å
773L86.6Confident81.4Confident27 Ų2793.7 Ų93.714%0.14146%0.463CS..  trans-70.9128.7-174.8-61.5-178.6000111.5L769 V770 F775 A784 V786L769-L773 WeakPolarHBondContact O-CG 3.26Å; V770-L773 WeakPolarHBondContact O-CB 3.39Å; V770-L773 PolarHBondContact O-N 3.04Å; L773-F775 HydrophobicContact CB-CD2 4.32Å; L773-F775 HydrophobicContact CB-CE2 3.71Å; L773-F775 HydrophobicContact CB-CZ 4.02Å; L773-F775 HydrophobicContact CD1-CE2 4.47Å; L773-F775 HydrophobicContact CD1-CZ 4.02Å; L773-A784 HydrophobicContact CB-CB 3.96Å; L773-V786 HydrophobicContact CD1-CG2 3.96Å; L773-V786 HydrophobicContact CD2-CB 4.17Å; L773-V786 HydrophobicContact CD2-CG1 4.27Å; L773-V786 HydrophobicContact CD2-CG2 3.61Å; L773-V786 HydrophobicContact CG-CG2 4.45Å
774K85.1Confident81.7Confident181 Ų18192.8 Ų92.879%0.78746%0.456SS*.  trans-97.199.3174.4-68.9-178.4-178.3174.80109.7S772S772-K774 PolarHBondContact O-N 3.03Å
775F84.6Confident81.8Confident111 Ų11193 Ų9349%0.48746%0.457SS..  trans-75.6131.1178.1-67.7-84.8000111.7L773 E782 L783 A784L773-F775 HydrophobicContact CB-CD2 4.32Å; L773-F775 HydrophobicContact CB-CE2 3.71Å; L773-F775 HydrophobicContact CB-CZ 4.02Å; L773-F775 HydrophobicContact CD1-CE2 4.47Å; L773-F775 HydrophobicContact CD1-CZ 4.02Å; F775-E782 HydrophobicContact CB-CB 4.29Å; F775-E782 HydrophobicContact CD1-CB 4.04Å; F775-L783 CarbonylContact C-O 3.51Å; F775-L783 WeakPolarHBondContact CA-O 3.27Å; F775-A784 HydrophobicContact CD1-CB 3.75Å; F775-A784 HydrophobicContact CE1-CB 3.83Å; F775-A784 HydrophobicContact CG-CB 4.15Å; F775-A784 HydrophobicContact CZ-CB 4.3Å
776T80.7Confident81.8Confident51 Ų5191.9 Ų91.931%0.31346%0.455SS..EExtended strand (participates in β ladder)trans-111.5121172.3-56.40000108.2L783 A924T776-L783 PolarHBondContact N-O 3.28Å; T776-L783 PolarHBondContact O-N 2.93Å; T776-A924 HydrophobicContact CG2-CB 3.86Å
777K74.5Confident81.7Confident148 Ų14891 Ų9164%0.64345%0.452SS*.EExtended strand (participates in β ladder)trans-79.5128.2-177.7-169.9168-176.2166.70111.5E782K777-E782 HydrophobicContact CB-CG 4.36Å; K777-E782 HydrophobicContact CG-CG 4.29Å
778I70.9Confident81.8Confident24 Ų2486 Ų8612%0.12343%0.431CS..EExtended strand (participates in β ladder)trans-123.1112.8168.2-55.3-178.5000108.9D780 Y781 L783 V860 A924I778-D780 PolarHBondContact O-N 2.86Å; I778-Y781 CarbonylContact C-O 3.54Å; I778-Y781 PolarHBondContact N-O 3.47Å; I778-Y781 PolarHBondContact O-N 3.28Å; I778-Y781 VanDerWaalsContact O-O 3.09Å; I778-L783 HydrophobicContact CB-CD1 4.48Å; I778-L783 HydrophobicContact CD1-CD1 3.29Å; I778-L783 HydrophobicContact CG1-CD1 3.91Å; I778-V860 HydrophobicContact CD1-CB 4.32Å; I778-V860 HydrophobicContact CD1-CG1 4.22Å; I778-A924 HydrophobicContact CD1-CB 3.18Å; I778-A924 HydrophobicContact CG1-CB 3.42Å; I778-A924 VanDerWaalsContact CG1-CB 3.42Å
779R69.6Low81.8Confident158 Ų15885.7 Ų85.760%0.59643%0.426SS*.THydrogen-bonded Turntrans52.6-109.5178.5-60.1177.3176.4-175-3.2110.2
780D73.7Confident81.8Confident151 Ų15190.3 Ų90.381%0.80746%0.455SS*.THydrogen-bonded Turntrans-100.30.3-177.1-51.5-37.9000113.2I778I778-D780 PolarHBondContact O-N 2.86Å
781Y69.8Low81.6Confident174 Ų17489 Ų8968%0.68245%0.448SS*.EExtended strand (participates in β ladder)trans-118.1156.8-177.3-56.8-81000112I778I778-Y781 CarbonylContact C-O 3.54Å; I778-Y781 PolarHBondContact N-O 3.47Å; I778-Y781 PolarHBondContact O-N 3.28Å; I778-Y781 VanDerWaalsContact O-O 3.09Å
782E80.7Confident81Confident120 Ų12090.4 Ų90.456%0.56145%0.447SS*.EExtended strand (participates in β ladder)trans-120.4137.4172.1-66-173.616700109.7F775 K777F775-E782 HydrophobicContact CB-CB 4.29Å; F775-E782 HydrophobicContact CD1-CB 4.04Å; K777-E782 HydrophobicContact CB-CG 4.36Å; K777-E782 HydrophobicContact CG-CG 4.29Å
783L81.9Confident79.7Confident59 Ų5992.9 Ų92.931%0.30946%0.456SS..EExtended strand (participates in β ladder)trans-127.3136.4-175.4-79.7143.6000110.4F775 T776 I778 V860 L926F775-L783 CarbonylContact C-O 3.51Å; F775-L783 WeakPolarHBondContact CA-O 3.27Å; T776-L783 PolarHBondContact N-O 3.28Å; T776-L783 PolarHBondContact O-N 2.93Å; I778-L783 HydrophobicContact CB-CD1 4.48Å; I778-L783 HydrophobicContact CD1-CD1 3.29Å; I778-L783 HydrophobicContact CG1-CD1 3.91Å; L783-V860 HydrophobicContact CD1-CG1 4Å; L783-L926 HydrophobicContact CB-CD1 4.4Å; L783-L926 HydrophobicContact CB-CD2 4.36Å
784A85.9Confident77.7Confident25 Ų2598.9 Ų98.921%0.20749%0.488CS..  trans-135146.5173.700000110.4L773 F775L773-A784 HydrophobicContact CB-CB 3.96Å; F775-A784 HydrophobicContact CD1-CB 3.75Å; F775-A784 HydrophobicContact CE1-CB 3.83Å; F775-A784 HydrophobicContact CG-CB 4.15Å; F775-A784 HydrophobicContact CZ-CB 4.3Å
785W84Confident75.5Confident116 Ų11698 Ų9844%0.43948%0.484SS..  trans-81.1129.6168.3-176.8-90.9000109.5H855 V858W785-H855 AromaticContact CD1-CD2 3.85Å; W785-H855 HydrophobicContact CZ2-CB 4.02Å; W785-H855 AromaticContact NE1-CD2 3.85Å; W785-V858 HydrophobicContact CZ3-CG2 4.05Å
786V85.8Confident73.1Confident65 Ų65101.5 Ų101.539%0.39450%0.5SS..  trans-117.8124.4179.8-174.90000108.4L769 L773L769-V786 HydrophobicContact CD1-CG1 4.42Å; L769-V786 HydrophobicContact CD2-CG1 4.17Å; L769-V786 HydrophobicContact CG-CG1 4.48Å; L773-V786 HydrophobicContact CD1-CG2 3.96Å; L773-V786 HydrophobicContact CD2-CB 4.17Å; L773-V786 HydrophobicContact CD2-CG1 4.27Å; L773-V786 HydrophobicContact CD2-CG2 3.61Å; L773-V786 HydrophobicContact CG-CG2 4.45Å
787E85.2Confident70.9Confident85 Ų85106.4 Ų106.440%0.39752%0.524SS..  trans-127.1124.9168.8-166168.4171.800107.8P848 I852E787-P848 HydrophobicContact CB-CG 4.49Å; E787-P848 HydrophobicContact CG-CG 4.31Å; E787-P848 WeakPolarHBondContact O-CD 3.25Å; E787-P848 WeakPolarHBondContact O-CG 3.45Å; E787-I852 VanDerWaalsContact OE2-CG2 3.3Å; E787-I852 WeakPolarHBondContact OE2-CG2 3.17Å
788A86.3Confident69Low35 Ų35108.4 Ų108.429%0.28953%0.529SS..  trans-144.3149.6-169.700000112L769 L845 S846L769-A788 HydrophobicContact CD1-CB 4.18Å; L769-A788 HydrophobicContact CD2-CB 3.6Å; A788-L845 HydrophobicContact CB-CB 3.94Å; A788-L845 HydrophobicContact CB-CD2 4.49Å; A788-S846 CarbonylContact C-O 3.59Å; A788-S846 VanDerWaalsContact CA-O 3.23Å; A788-S846 WeakPolarHBondContact CA-O 3.42Å; A788-S846 WeakPolarHBondContact CB-O 3.35Å
789T86.5Confident67.1Low45 Ų45114.9 Ų114.928%0.27656%0.558SS.*EExtended strand (participates in β ladder)trans-85130.8165.344.40000109.2L845 S846 L847 P848T789-L845 WeakPolarHBondContact O-CA 3.37Å; T789-S846 PolarHBondContact N-O 3.05Å; T789-S846 PolarHBondContact O-N 2.97Å; T789-S846 PolarHBondContact O-OG 3.07Å; T789-S846 PolarHBondContact OG1-O 3.34Å; T789-S846 PolarHBondContact OG1-OG 2.9Å; T789-L847 PolarHBondContact OG1-O 3.22Å; T789-L847 VanDerWaalsContact OG1-O 3.06Å; T789-P848 HydrophobicContact CG2-CB 4.48Å
790V86.4Confident65.4Low100 Ų100114.2 Ų114.261%0.60657%0.565SS**EExtended strand (participates in β ladder)trans-89.3122.1174.9-169.10000108.2P843 L845V790-P843 HydrophobicContact CG1-CB 3.8Å; V790-L845 HydrophobicContact CB-CD2 4.25Å; V790-L845 HydrophobicContact CG1-CD2 4.24Å; V790-L845 HydrophobicContact CG2-CD2 3.66Å
791S81.7Confident63.4Low37 Ų37114.9 Ų114.926%0.25956%0.561SS.*EExtended strand (participates in β ladder)trans-112.6126.617250.90000109.7P843 V844S791-P843 WeakPolarHBondContact O-CA 3.45Å; S791-V844 PolarHBondContact N-O 3.45Å; S791-V844 PolarHBondContact O-N 3.32Å; S791-V844 PolarHBondContact OG-O 3.3Å
792L74.6Confident61.5Low129 Ų129113.2 Ų113.268%0.67556%0.559SS**  trans-93.9111.6166.4-67.9161.3000105.3D794 P843L792-D794 VanDerWaalsContact C-N 3.32Å; L792-D794 PolarHBondContact O-N 3.29Å; L792-P843 HydrophobicContact CD2-CB 3.87Å; L792-P843 HydrophobicContact CD2-CG 4.46Å
793D59.8Low59Low110 Ų110117 Ų11759%0.58857%0.574SS**  trans-73.786.9-178.5-119.512.3000108.7K795D793-K795 PolarHBondContact O-N 2.92Å; D793-K795 IonicContact OD2-NZ 2.71Å
794D45Very low56.6Low152 Ų152124 Ų12481%0.81360%0.596SS**  trans-75.672.2169.8-81.8-20000109.5L792 F796L792-D794 VanDerWaalsContact C-N 3.32Å; L792-D794 PolarHBondContact O-N 3.29Å; D794-F796 PolarHBondContact O-N 3.19Å
795K38.5Very low53.8Low163 Ų163130 Ų13071%0.70963%0.625SS**  trans-94.775.1171.5-80.2-178.7-178.7158.80111.4D793D793-K795 PolarHBondContact O-N 2.92Å; D793-K795 IonicContact OD2-NZ 2.71Å
796F34.3Very low51.4Low184 Ų184131.7 Ų131.781%0.80764%0.643SS**  trans-144.561.5149.7-96-76.8000109.5D794 Y798D794-F796 PolarHBondContact O-N 3.19Å; F796-Y798 HydrophobicContact CD1-CE2 4.46Å
797D33Very low49.1Very low155 Ų155136.3 Ų136.383%0.82967%0.665SS**  trans-97.198.6160.3-139.11000107.4H799D797-H799 PolarHBondContact O-N 3.23Å; D797-H799 VanDerWaalsContact O-N 3.13Å
798Y35.7Very low46.6Very low189 Ų189139.5 Ų139.574%0.74169%0.685SS**  trans-55.3118.8167.4-100.6-93.1000107.3F796 I800F796-Y798 HydrophobicContact CD1-CE2 4.46Å; Y798-I800 PolarHBondContact O-N 2.88Å
799H30.6Very low44.2Very low160 Ų160144.5 Ų144.574%0.74171%0.712SS**  trans-54.889.9159.9-94.5-65.8000109.2D797 K801D797-H799 PolarHBondContact O-N 3.23Å; D797-H799 VanDerWaalsContact O-N 3.13Å; H799-K801 HydrophobicContact CB-CG 4.43Å; H799-K801 PolarHBondContact O-N 2.93Å
800I33.7Very low41.7Very low145 Ų145145.5 Ų145.574%0.74473%0.731SS**  trans-70.680.7147.9-61-172.3000105.3Y798 E802Y798-I800 PolarHBondContact O-N 2.88Å; I800-E802 HydrophobicContact CG2-CG 3.96Å; I800-E802 PolarHBondContact O-N 3.09Å
801K31.6Very low39Very low165 Ų165148.1 Ų148.172%0.71774%0.742SS**  trans-69.787.6152.9-79.2-177.9178.5176.90105.8H799 K803H799-K801 HydrophobicContact CB-CG 4.43Å; H799-K801 PolarHBondContact O-N 2.93Å; K801-K803 VanDerWaalsContact C-N 3.28Å; K801-K803 PolarHBondContact O-N 2.92Å
802E31.1Very low36.7Very low138 Ų138152 Ų15265%0.64576%0.76SS**  trans-54.8104.3151.2-80.5-165.6161.500106.7I800 R804I800-E802 HydrophobicContact CG2-CG 3.96Å; I800-E802 PolarHBondContact O-N 3.09Å; E802-R804 PolarHBondContact O-N 3.38Å
803K27.6Very low34.7Very low200 Ų200151.7 Ų151.787%0.8776%0.759SS**  trans-63.881.9160.6-81.9-178.8173.7177.10107.5K801 N805K801-K803 VanDerWaalsContact C-N 3.28Å; K801-K803 PolarHBondContact O-N 2.92Å; K803-N805 PolarHBondContact O-N 3.33Å
804R30.5Very low33.4Very low205 Ų205152.8 Ų152.877%0.77477%0.765SS**  trans-77.594.6157-91.5-179.9168.3157.9-2.1108E802 N806E802-R804 PolarHBondContact O-N 3.38Å; R804-N806 PolarHBondContact O-N 2.86Å
805N28.8Very low32.9Very low152 Ų152151.5 Ų151.581%0.81376%0.758SS**  trans-49121150.3-86.5-15.7000108.3K803K803-N805 PolarHBondContact O-N 3.33Å
806N33.6Very low32.7Very low151 Ų151150.8 Ų150.881%0.80776%0.762SS**  trans-134.392.2158.5-99.8-4.9000107.8R804R804-N806 PolarHBondContact O-N 2.86Å
807N36.4Very low32.8Very low163 Ų163148.6 Ų148.687%0.87276%0.759SS**  trans-81.6132146.3-82.9-14.3000107
808N33.5Very low32.7Very low151 Ų151148.7 Ų148.781%0.80776%0.759SS**  trans-33.7147.8169.2-73.7-22.8000113.5
809T35.9Very low32.5Very low140 Ų140142.7 Ų142.786%0.85976%0.755SS**  177.113387.3-42.10000111.3
810G33.2Very low32.6Very low66 Ų66143.1 Ų143.168%0.6876%0.763SS**  trans64.2104.9136.700000122.2
811N30.5Very low32.5Very low155 Ų155142.7 Ų142.783%0.82977%0.767SS**  59.5130.2129.3-83.821.1000124.4
812N32.3Very low32.5Very low118 Ų118144.1 Ų144.163%0.63178%0.776SS**  trans101.3110.6137.3-73.826.9000120.5
813D33.4Very low32.4Very low124 Ų124145.4 Ų145.466%0.66378%0.784SS**  74.4117.5122.5-59.1-16.5000121.4
814N32.3Very low32.5Very low132 Ų132141.4 Ų141.471%0.70678%0.781SS**  104.3121.5127.6-74.311.7000121.1
815D35.5Very low32.4Very low125 Ų125137.9 Ų137.967%0.66878%0.782SS**  trans90.6116.2132.8-58.8-16000121.3
816D34.4Very low32.5Very low148 Ų148134.1 Ų134.179%0.79178%0.78SS**  87112.4127.6-70-11.2000122.2
817D35.8Very low32.2Very low139 Ų139134.7 Ų134.774%0.74378%0.783SS**  127.2111.2113.4-141.917000117.7
818N31.5Very low31.7Very low156 Ų156134.6 Ų134.683%0.83478%0.782SS**  trans24.3145.5143.8-71.2-42.3000125.7
819G31.4Very low31.6Very low64 Ų64136 Ų13666%0.6679%0.789SS**  trans108136.2147.500000114.2
820D32.6Very low31.3Very low169 Ų169136.2 Ų136.290%0.90478%0.78SS**  cis-162.1158.9-7.2-99.9-40.1000107.3
821V31.5Very low31Very low136 Ų136141.8 Ų141.882%0.82479%0.793SS**  trans-79.7124.1178171.80000110
822E31.3Very low30.9Very low194 Ų194143.9 Ų143.991%0.90779%0.789SS**  trans-138.2130154.4-86.7-164.616000113.3
823M28.1Very low30.7Very low166 Ų166143.5 Ų143.582%0.81880%0.796SS**  trans-77.9132.5172-96-104.4-61.500110.4
824S31.2Very low30.5Very low115 Ų115149.3 Ų149.380%0.80481%0.808SS**  trans-144.8109.2155.963.30000111.7
825T27.6Very low30.3Very low132 Ų132148.5 Ų148.581%0.8181%0.808SS**  trans-57.7130.4159.141.30000111.4
826G30.9Very low30.2Very low73 Ų73146 Ų14675%0.75380%0.799SS**  trans-171.385172.700000111.6N828G826-N828 PolarHBondContact O-N 3.29Å
827N26.4Very low30.1Very low163 Ų163144.2 Ų144.287%0.87279%0.789SS**  trans-61.4113.5168.8-80.3-12.7000110
828N26.7Very low30.3Very low161 Ų161140.9 Ų140.986%0.86178%0.781SS**  trans-162.591.2152.9-94.7-29.5000108.3G826G826-N828 PolarHBondContact O-N 3.29Å
829L32Very low30.8Very low181 Ų181136.6 Ų136.695%0.94877%0.767SS**  trans-117.1106.1162.8-94.4155.3000107.6
830E28.6Very low31.5Very low144 Ų144139.2 Ų139.267%0.67377%0.765SS**  trans-49.9134.6177.8-63.6175.4145.800112.3R832E830-R832 VanDerWaalsContact C-N 3.27Å; E830-R832 PolarHBondContact O-N 2.98Å; E830-R832 IonicContact OE2-NE 3.04Å; E830-R832 IonicContact OE2-NH2 2.76Å
831L27.7Very low32.6Very low182 Ų182137.8 Ų137.895%0.95375%0.754SS**  trans-67.679.4170.3-158.882.2000109.3S833L831-S833 PolarHBondContact O-N 2.88Å
832R28Very low34.3Very low200 Ų200133.4 Ų133.476%0.75573%0.725SS**  trans-78109.3175.4-75.9-172.9178.2-171-1.7110.9E830E830-R832 VanDerWaalsContact C-N 3.27Å; E830-R832 PolarHBondContact O-N 2.98Å; E830-R832 IonicContact OE2-NE 3.04Å; E830-R832 IonicContact OE2-NH2 2.76Å
833S27.6Very low36.4Very low109 Ų109125.5 Ų125.576%0.76269%0.69SS**  trans15103.2150.3620000116.9L831L831-S833 PolarHBondContact O-N 2.88Å
834R29.6Very low39Very low247 Ų247118.7 Ų118.793%0.93266%0.658SS**  trans-81.9110.9163.8-72.7-179.7173.2-176.7-3.4109.4
835T27.4Very low41.7Very low115 Ų115115 Ų11571%0.70663%0.629SS**  trans-84121161.9100000108.9
836P34.6Very low44.5Very low71 Ų71109.6 Ų109.646%0.46160%0.597SS.*  trans-95.2103.2172.432.6-24.3000110.1
837L32.4Very low47Very low111 Ų111109.6 Ų109.658%0.58158%0.58SS**  trans-95.4124.1169-91.4155000110
838A38.6Very low49.6Very low70 Ų70103.3 Ų103.358%0.57955%0.548SS*.SBendtrans59.715615400000118.5D840A838-D840 PolarHBondContact O-N 2.87Å
839A42.5Very low51.9Low65 Ų65102.3 Ų102.354%0.53755%0.548SS..THydrogen-bonded Turntrans-6116.8-174.300000116.9R764R764-A839 PolarHBondContact NH2-O 2.85Å
840D45.4Very low53.8Low119 Ų11995.7 Ų95.764%0.63652%0.523SS*.THydrogen-bonded Turntrans-110.7-1.8-173.4-81.7-29000115.8R764 A838 L842R764-D840 IonicContact CZ-OD1 3.6Å; R764-D840 IonicContact NH1-OD1 3.64Å; R764-D840 PolarHBondContact NH1-OD1 2.87Å; R764-D840 IonicContact NH2-OD1 3.89Å; R764-D840 PolarHBondContact NH2-OD1 3.15Å; A838-D840 PolarHBondContact O-N 2.87Å; D840-L842 VanDerWaalsContact C-N 3.35Å
841Q56.7Low55.4Low140 Ų14095.4 Ų95.465%0.65453%0.534SS*.  trans-96.830.2172.4-65-173.33.800113.5
842L66.5Low57.1Low44 Ų4491.6 Ų91.623%0.2351%0.513CS..SBendtrans-77.6132.9173.5-65.7174.8000109.5Q762 R764 D840 V844Q762-L842 HydrophobicContact CB-CD2 3.82Å; Q762-L842 HydrophobicContact CG-CD1 4.09Å; Q762-L842 HydrophobicContact CG-CD2 3.94Å; R764-L842 HydrophobicContact CB-CB 4.39Å; D840-L842 VanDerWaalsContact C-N 3.35Å; L842-V844 WeakPolarHBondContact O-CG2 3.45Å; L842-V844 PolarHBondContact O-N 3.35Å
843P75.4Confident58.8Low27 Ų2784.5 Ų84.518%0.17550%0.502CS..PPolyproline II helixtrans-51.6132.3171.715.3-26.8000110.5Q762 A763 R764 V790 S791 L792Q762-P843 WeakPolarHBondContact O-CD 3.47Å; Q762-P843 WeakPolarHBondContact O-CG 3.36Å; A763-P843 CarbonylContact C-O 3.58Å; A763-P843 VanDerWaalsContact CA-O 3.24Å; A763-P843 WeakPolarHBondContact CA-O 3.4Å; A763-P843 HydrophobicContact CB-CG 4.09Å; A763-P843 WeakPolarHBondContact CB-O 3.39Å; R764-P843 PolarHBondContact N-O 2.89Å; V790-P843 HydrophobicContact CG1-CB 3.8Å; S791-P843 WeakPolarHBondContact O-CA 3.45Å; L792-P843 HydrophobicContact CD2-CB 3.87Å; L792-P843 HydrophobicContact CD2-CG 4.46Å
844V83.8Confident60.6Low24 Ų2489 Ų8915%0.14551%0.511CS..EExtended strand (participates in β ladder)trans-100.8123.8-175.1-178.40000109.7R764 K766 S791 L842R764-V844 CarbonylContact O-C 3.49Å; R764-V844 VanDerWaalsContact O-CA 3.29Å; R764-V844 WeakPolarHBondContact O-CA 3.4Å; K766-V844 HydrophobicContact CD-CG1 4.17Å; K766-V844 HydrophobicContact CG-CG1 3.53Å; S791-V844 PolarHBondContact N-O 3.45Å; S791-V844 PolarHBondContact O-N 3.32Å; S791-V844 PolarHBondContact OG-O 3.3Å; L842-V844 WeakPolarHBondContact O-CG2 3.45Å; L842-V844 PolarHBondContact O-N 3.35Å
845L88Confident62.5Low36 Ų3680.6 Ų80.619%0.18848%0.482CS..EExtended strand (participates in β ladder)trans-88.6118.8175.8-55.4-179.3000109.8A763 R764 M765 K766 L769 A788 T789 V790A763-L845 HydrophobicContact CB-CD1 4.03Å; A763-L845 HydrophobicContact CB-CD2 4.26Å; A763-L845 HydrophobicContact CB-CG 3.94Å; R764-L845 PolarHBondContact O-N 3.12Å; M765-L845 HydrophobicContact CG-CB 4.07Å; M765-L845 HydrophobicContact CG-CD1 3.79Å; M765-L845 HydrophobicContact CG-CG 4.41Å; K766-L845 PolarHBondContact N-O 3.09Å; L769-L845 HydrophobicContact CD2-CB 3.75Å; A788-L845 HydrophobicContact CB-CB 3.94Å; A788-L845 HydrophobicContact CB-CD2 4.49Å; T789-L845 WeakPolarHBondContact O-CA 3.37Å; V790-L845 HydrophobicContact CB-CD2 4.25Å; V790-L845 HydrophobicContact CG1-CD2 4.24Å; V790-L845 HydrophobicContact CG2-CD2 3.66Å
846S85.9Confident64.7Low20 Ų2084 Ų8414%0.1449%0.487CS..EExtended strand (participates in β ladder)trans-119.8164.317847.40000112.6A788 T789A788-S846 CarbonylContact C-O 3.59Å; A788-S846 VanDerWaalsContact CA-O 3.23Å; A788-S846 WeakPolarHBondContact CA-O 3.42Å; A788-S846 WeakPolarHBondContact CB-O 3.35Å; T789-S846 PolarHBondContact N-O 3.05Å; T789-S846 PolarHBondContact O-N 2.97Å; T789-S846 PolarHBondContact O-OG 3.07Å; T789-S846 PolarHBondContact OG1-O 3.34Å; T789-S846 PolarHBondContact OG1-OG 2.9Å
847L83.6Confident66.8Low73 Ų7384.2 Ų84.238%0.38249%0.488SS..  trans-53.8140.6172.2-79.8161.8000110.8L769 T789 T849L769-L847 HydrophobicContact CD1-CD2 4.17Å; L769-L847 HydrophobicContact CD1-CG 4.42Å; T789-L847 PolarHBondContact OG1-O 3.22Å; T789-L847 VanDerWaalsContact OG1-O 3.06Å; L847-T849 PolarHBondContact O-N 2.68Å
848P81.3Confident68.9Low31 Ų3181.7 Ų81.720%0.20148%0.476CS..  trans-58.9133.1175.9-21.832.6000111.5E787 T789 G850 I852E787-P848 HydrophobicContact CB-CG 4.49Å; E787-P848 HydrophobicContact CG-CG 4.31Å; E787-P848 WeakPolarHBondContact O-CD 3.25Å; E787-P848 WeakPolarHBondContact O-CG 3.45Å; T789-P848 HydrophobicContact CG2-CB 4.48Å; P848-G850 VanDerWaalsContact C-N 3.32Å; P848-I852 HydrophobicContact CB-CD1 4.38Å; P848-I852 HydrophobicContact CB-CG1 4.03Å; P848-I852 HydrophobicContact CG-CD1 4.08Å; P848-I852 HydrophobicContact CG-CG1 4.09Å
849T73.8Confident70.6Confident140 Ų14083.2 Ų83.286%0.85947%0.47SS*.SBendtrans-84.6-4.1178.139.30000113.5L847L847-T849 PolarHBondContact O-N 2.68Å
850G71.8Confident72Confident42 Ų4282.2 Ų82.243%0.43346%0.457SS..SBendtrans-116.1172.2179.600000113.7P848 I852P848-G850 VanDerWaalsContact C-N 3.32Å; G850-I852 PolarHBondContact O-N 2.85Å
851P63.3Low73.4Confident138 Ų13879.2 Ų79.290%0.89644%0.441SS*.PPolyproline II helixtrans-61.9118.3176.625.2-32000110.5G853P851-G853 PolarHBondContact O-N 2.82Å
852I62.2Low74.3Confident101 Ų10179.1 Ų79.152%0.51844%0.441SS..PPolyproline II helixtrans-74.1120.6179.1-55.8170000107.8E787 P848 G850E787-I852 VanDerWaalsContact OE2-CG2 3.3Å; E787-I852 WeakPolarHBondContact OE2-CG2 3.17Å; P848-I852 HydrophobicContact CB-CD1 4.38Å; P848-I852 HydrophobicContact CB-CG1 4.03Å; P848-I852 HydrophobicContact CG-CD1 4.08Å; P848-I852 HydrophobicContact CG-CG1 4.09Å; G850-I852 PolarHBondContact O-N 2.85Å
853G64.4Low74.8Confident51 Ų5177.6 Ų77.653%0.52643%0.433SS..PPolyproline II helixtrans-65.4151.6175.600000111.1P851 H855P851-G853 PolarHBondContact O-N 2.82Å; G853-H855 PolarHBondContact O-N 3.16Å; G853-H855 VanDerWaalsContact O-N 3.07Å
854Q64.7Low75.1Confident203 Ų20382.5 Ų82.595%0.94945%0.452SS*.  trans-62.6115.1170.4-71.3-175.94.800108.7
855H71.1Confident75.2Confident72 Ų7282.6 Ų82.633%0.33345%0.452SS..PPolyproline II helixtrans-72.1151.117272.270.3000109.5W785 G853 L926W785-H855 AromaticContact CD1-CD2 3.85Å; W785-H855 HydrophobicContact CZ2-CB 4.02Å; W785-H855 AromaticContact NE1-CD2 3.85Å; G853-H855 PolarHBondContact O-N 3.16Å; G853-H855 VanDerWaalsContact O-N 3.07Å; H855-L926 VanDerWaalsContact CE1-C 3.44Å; H855-L926 PolarHBondContact CE1-O 3.42Å; H855-L926 PolarHBondContact CE1-OXT 3.28Å
856K73.7Confident75.1Confident185 Ų18583.8 Ų83.880%0.80446%0.463SS*.PPolyproline II helixtrans-66.9136.5174.1-168.4176.7-178.7-179.20108.6V858K856-V858 WeakPolarHBondContact O-CG2 3.41Å; K856-V858 PolarHBondContact O-N 3.49Å
857T77.5Confident75.1Confident77 Ų7786 Ų8647%0.47247%0.473SS..PPolyproline II helixtrans-58.8123.1175.3-53.70000110.2F859 I925 L926T857-F859 HydrophobicContact CG2-CE2 4.02Å; T857-F859 HydrophobicContact CG2-CZ 4.16Å; T857-I925 HydrophobicContact CG2-CG2 3.25Å; T857-L926 CarbonylContact C-O 3.56Å; T857-L926 WeakPolarHBondContact CA-O 3.2Å
858V76.1Confident75.3Confident57 Ų5782.7 Ų82.735%0.34546%0.456SS..  trans-105.6118.9179.2-176.70000108.8W785 K856 V860 L926W785-V858 HydrophobicContact CZ3-CG2 4.05Å; K856-V858 WeakPolarHBondContact O-CG2 3.41Å; K856-V858 PolarHBondContact O-N 3.49Å; V858-V860 HydrophobicContact CG1-CG2 4.02Å; V858-L926 HydrophobicContact CB-CB 4.38Å; V858-L926 PolarHBondContact N-O 2.73Å; V858-L926 PolarHBondContact O-N 2.67Å
859F75.9Confident75.6Confident103 Ų10384.2 Ų84.245%0.45246%0.459SS..EExtended strand (participates in β ladder)trans-87.4112.1171-66-88.6000108.5T857 Y920 F923 A924 I925T857-F859 HydrophobicContact CG2-CE2 4.02Å; T857-F859 HydrophobicContact CG2-CZ 4.16Å; F859-Y920 HydrophobicContact CE1-CD1 4.26Å; F859-Y920 HydrophobicContact CE1-CE1 4Å; F859-Y920 HydrophobicContact CZ-CE1 4.45Å; F859-F923 HydrophobicContact CB-CD1 3.94Å; F859-F923 HydrophobicContact CB-CE1 4.36Å; F859-F923 HydrophobicContact CD1-CB 4Å; F859-F923 HydrophobicContact CD1-CD1 4.25Å; F859-F923 HydrophobicContact CD1-CD2 4.48Å; F859-F923 HydrophobicContact CD1-CG 4.02Å; F859-A924 WeakPolarHBondContact CA-O 3.4Å; F859-I925 HydrophobicContact CD1-CD1 4.35Å; F859-I925 HydrophobicContact CD1-CG1 3.84Å; F859-I925 HydrophobicContact CE1-CD1 3.76Å; F859-I925 HydrophobicContact CE1-CG1 3.71Å; F859-I925 HydrophobicContact CE1-CG2 4.23Å
860V71.9Confident76.3Confident43 Ų4384.5 Ų84.526%0.26145%0.451SS..EExtended strand (participates in β ladder)trans-98.7135.4175-173.70000108I778 L783 V858 A924 L926I778-V860 HydrophobicContact CD1-CB 4.32Å; I778-V860 HydrophobicContact CD1-CG1 4.22Å; L783-V860 HydrophobicContact CD1-CG1 4Å; V858-V860 HydrophobicContact CG1-CG2 4.02Å; V860-A924 HydrophobicContact CB-CB 4.27Å; V860-A924 PolarHBondContact N-O 3.19Å; V860-A924 PolarHBondContact O-N 3.07Å; V860-L926 HydrophobicContact CG2-CD1 3.72Å; V860-L926 HydrophobicContact CG2-CG 4.25Å
861N74.1Confident77Confident56 Ų5685 Ų8530%0.29944%0.443SS..  trans95149.5-171.5-157.917.1000114.5Q922 F923N861-Q922 PolarHBondContact ND2-O 3.41Å; N861-F923 VanDerWaalsContact O-CD1 3.32Å; N861-F923 WeakPolarHBondContact O-CD1 3.43Å; N861-F923 WeakPolarHBondContact O-CE1 3.43Å
862E75.8Confident78.3Confident138 Ų13878.4 Ų78.465%0.64540%0.401SS*.  trans-11994.5172.4-71.7-161.117000109.8K864 R896E862-K864 PolarHBondContact O-N 3.48Å; E862-R896 IonicContact OE1-NH2 3.81Å; E862-R896 IonicContact OE2-CZ 2.74Å; E862-R896 IonicContact OE2-NH2 3.77Å; E862-R896 PolarHBondContact OE2-NH2 2.85Å
863P75.8Confident79.6Confident12 Ų1277.5 Ų77.58%0.07840%0.396CS..  trans-66123.8-178.521.3-26.8000111L902 Q922 F923P863-L902 HydrophobicContact CG-CD1 3.74Å; P863-Q922 HydrophobicContact CB-CB 3.9Å; P863-Q922 HydrophobicContact CG-CB 4.32Å; P863-F923 HydrophobicContact CG-CD1 4.38Å; P863-F923 HydrophobicContact CG-CD2 4.21Å; P863-F923 HydrophobicContact CG-CE1 3.74Å; P863-F923 HydrophobicContact CG-CE2 3.52Å; P863-F923 HydrophobicContact CG-CZ 3.27Å
864K83.1Confident80.7Confident131 Ų13179 Ų7957%0.5740%0.399SS*.  trans-74.2132.3172.9-65-178.5179.61780109.4E862 S866 D867 L868E862-K864 PolarHBondContact O-N 3.48Å; K864-S866 PolarHBondContact O-N 3.13Å; K864-D867 HydrophobicContact CB-CB 4.4Å; K864-D867 PolarHBondContact O-N 3.19Å; K864-D867 VanDerWaalsContact O-N 3.08Å; K864-L868 PolarHBondContact O-N 3.49Å
865L85.3Confident81.7Confident26 Ų2674.8 Ų74.814%0.13638%0.379CS..Hα-helixtrans-60.4-28.4177.9-69.4171.7000112.3L868 K869 F881 L886 I894 R896 L902L865-L868 HydrophobicContact CD2-CD2 4.44Å; L865-K869 WeakPolarHBondContact O-CB 3.37Å; L865-K869 PolarHBondContact O-N 3.25Å; L865-F881 HydrophobicContact CB-CE1 3.86Å; L865-F881 HydrophobicContact CB-CZ 3.64Å; L865-F881 HydrophobicContact CD1-CE1 4.38Å; L865-L886 HydrophobicContact CD2-CB 4.33Å; L865-L886 HydrophobicContact CD2-CD2 4.37Å; L865-I894 HydrophobicContact CD2-CB 4.23Å; L865-I894 HydrophobicContact CD2-CG2 3.72Å; L865-R896 HydrophobicContact CD1-CB 4.34Å; L865-L902 HydrophobicContact CD2-CD2 3.8Å; L865-L902 HydrophobicContact CG-CD2 4.27Å
866S86.2Confident82.5Confident60 Ų6074.5 Ų74.542%0.4240%0.396SS..Hα-helixtrans-61.6-45173.751.30000112.5K864 K869 Q870K864-S866 PolarHBondContact O-N 3.13Å; S866-K869 WeakPolarHBondContact O-CB 3.31Å; S866-K869 PolarHBondContact O-N 3.3Å; S866-Q870 PolarHBondContact O-N 2.86Å
867D85.8Confident83.1Confident66 Ų6666.9 Ų66.935%0.35336%0.364SS..Hα-helixtrans-74.5-39.1-175.9-55.2-0.6000108.9K864 K869 Q870 L871K864-D867 HydrophobicContact CB-CB 4.4Å; K864-D867 PolarHBondContact O-N 3.19Å; K864-D867 VanDerWaalsContact O-N 3.08Å; D867-K869 VanDerWaalsContact C-N 3.32Å; D867-K869 PolarHBondContact O-N 3.49Å; D867-Q870 PolarHBondContact O-N 3.16Å; D867-L871 PolarHBondContact O-N 3.1Å
868L86.8Confident83.7Confident4 Ų469.9 Ų69.92%0.02137%0.374CS..Hα-helixtrans-61.3-39.5174-166.571.9000111.9K864 L865 Q870 L871 L872 L886 I894 I918 L919 Q922K864-L868 PolarHBondContact O-N 3.49Å; L865-L868 HydrophobicContact CD2-CD2 4.44Å; L868-Q870 PolarHBondContact O-N 3.12Å; L868-L871 PolarHBondContact O-N 2.82Å; L868-L872 HydrophobicContact CD2-CD1 4.49Å; L868-L872 HydrophobicContact CG-CD1 4.04Å; L868-L872 HydrophobicContact CG-CG 4.44Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 VanDerWaalsContact O-CG 3.22Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 3.2Å; L868-L886 HydrophobicContact CB-CD2 4.32Å; L868-L886 HydrophobicContact CD2-CD2 4.11Å; L868-L886 HydrophobicContact CG-CD2 4.35Å; L868-I894 HydrophobicContact CD2-CD1 3.49Å; L868-I894 VanDerWaalsContact CD2-CD1 3.49Å; L868-I918 HydrophobicContact CD1-CG2 4.28Å; L868-L919 HydrophobicContact CD1-CD1 4.24Å; L868-L919 HydrophobicContact CD2-CD1 3.74Å; L868-Q922 HydrophobicContact CD1-CG 4Å
869K88.9Confident84.4Confident64 Ų6467.4 Ų67.428%0.27836%0.36SS..Hα-helixtrans-58.1-48.2173.6-178.4-177.7175.6-177.30111.4L865 S866 D867 L871 L872 L873 A879 F881 L886L865-K869 WeakPolarHBondContact O-CB 3.37Å; L865-K869 PolarHBondContact O-N 3.25Å; S866-K869 WeakPolarHBondContact O-CB 3.31Å; S866-K869 PolarHBondContact O-N 3.3Å; D867-K869 VanDerWaalsContact C-N 3.32Å; D867-K869 PolarHBondContact O-N 3.49Å; K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 PolarHBondContact O-N 2.64Å; K869-L872 PolarHBondContact O-N 2.7Å; K869-L873 HydrophobicContact CG-CD1 4.03Å; K869-L873 WeakPolarHBondContact O-CB 3.37Å; K869-L873 VanDerWaalsContact O-CG 3.3Å; K869-L873 WeakPolarHBondContact O-CG 2.95Å; K869-L873 PolarHBondContact O-N 2.91Å; K869-A879 WeakPolarHBondContact CE-O 3.35Å; K869-A879 HydrophobicContact CG-CB 4.05Å; K869-F881 HydrophobicContact CB-CE2 4.28Å; K869-F881 HydrophobicContact CD-CD2 3.76Å; K869-F881 HydrophobicContact CD-CE2 3.8Å; K869-L886 HydrophobicContact CB-CD1 3.71Å; K869-L886 HydrophobicContact CB-CD2 4.26Å; K869-L886 HydrophobicContact CD-CD1 4.15Å; K869-L886 HydrophobicContact CG-CD1 3.87Å
870Q88.3Confident85.2Confident146 Ų14667.2 Ų67.268%0.68236%0.36SS*.Hα-helixtrans-62.9-40.5178.8-69.5-166.2-9.100111.7S866 D867 L868 L873 S874S866-Q870 PolarHBondContact O-N 2.86Å; D867-Q870 PolarHBondContact O-N 3.16Å; L868-Q870 PolarHBondContact O-N 3.12Å; Q870-L873 PolarHBondContact O-N 2.89Å; Q870-S874 WeakPolarHBondContact O-CB 3.32Å; Q870-S874 PolarHBondContact O-N 3.18Å
871L86.9Confident86.1Confident52 Ų5269.2 Ų69.227%0.27237%0.366SS..Hα-helixtrans-63.5-45.3177.3-17071.7000111.8D867 L868 K869 S874 Q875 I918 Q922D867-L871 PolarHBondContact O-N 3.1Å; L868-L871 PolarHBondContact O-N 2.82Å; K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 PolarHBondContact O-N 2.64Å; L871-S874 PolarHBondContact O-N 2.94Å; L871-S874 PolarHBondContact O-OG 3.17Å; L871-Q875 WeakPolarHBondContact O-CG 3.34Å; L871-Q875 PolarHBondContact O-N 3.48Å; L871-Q875 VanDerWaalsContact O-N 3.15Å; L871-I918 HydrophobicContact CD2-CG2 3.46Å; L871-I918 VanDerWaalsContact CD2-CG2 3.46Å; L871-I918 HydrophobicContact CG-CG2 4.1Å; L871-Q922 HydrophobicContact CD2-CG 4.18Å
872L88.9Confident86.7Confident0 Ų069.8 Ų69.80%037%0.371CS..Hα-helixtrans-63.1-43177.6-71.1166.1000111.7L868 K869 S874 Q875 G876 L877 A879 L886 V888 I894 V915 I918L868-L872 HydrophobicContact CD2-CD1 4.49Å; L868-L872 HydrophobicContact CG-CD1 4.04Å; L868-L872 HydrophobicContact CG-CG 4.44Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 VanDerWaalsContact O-CG 3.22Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 3.2Å; K869-L872 PolarHBondContact O-N 2.7Å; L872-S874 VanDerWaalsContact C-N 3.31Å; L872-S874 PolarHBondContact O-N 3.18Å; L872-Q875 CarbonylContact O-C 3.5Å; L872-Q875 PolarHBondContact O-N 3.14Å; L872-Q875 VanDerWaalsContact O-N 3.15Å; L872-G876 PolarHBondContact O-N 3.25Å; L872-L877 CarbonylContact C-O 3.52Å; L872-L877 HydrophobicContact CB-CB 4.46Å; L872-L877 HydrophobicContact CD2-CD1 3.74Å; L872-L877 PolarHBondContact O-N 2.98Å; L872-A879 HydrophobicContact CB-CB 3.93Å; L872-A879 HydrophobicContact CD1-CB 4.19Å; L872-L886 HydrophobicContact CD1-CD2 4.02Å; L872-V888 HydrophobicContact CD1-CG2 3.69Å; L872-I894 HydrophobicContact CD1-CD1 4.43Å; L872-V915 HydrophobicContact CD2-CG1 4.48Å; L872-V915 HydrophobicContact CD2-CG2 4.05Å; L872-I918 HydrophobicContact CD2-CB 4.45Å; L872-I918 HydrophobicContact CD2-CD1 3.84Å; L872-I918 HydrophobicContact CD2-CG2 4.16Å
873L89.9Confident87.1Confident82 Ų8269.1 Ų69.143%0.42938%0.382SS..Hα-helixtrans-61.6-39.4174.2-71.8169.3000111.9K869 Q870 Q875 G876 L877 A879K869-L873 HydrophobicContact CG-CD1 4.03Å; K869-L873 WeakPolarHBondContact O-CB 3.37Å; K869-L873 VanDerWaalsContact O-CG 3.3Å; K869-L873 WeakPolarHBondContact O-CG 2.95Å; K869-L873 PolarHBondContact O-N 2.91Å; Q870-L873 PolarHBondContact O-N 2.89Å; L873-Q875 PolarHBondContact O-N 3.17Å; L873-G876 PolarHBondContact O-N 3.23Å; L873-G876 VanDerWaalsContact O-N 3.09Å; L873-L877 WeakPolarHBondContact CA-O 3.01Å; L873-A879 HydrophobicContact CG-CB 4.45Å
874S88.7Confident87.4Confident83 Ų8371.3 Ų71.358%0.5841%0.406SS*.Hα-helixtrans-66-24.6177.2780000113.4Q870 L871 L872 G876Q870-S874 WeakPolarHBondContact O-CB 3.32Å; Q870-S874 PolarHBondContact O-N 3.18Å; L871-S874 PolarHBondContact O-N 2.94Å; L871-S874 PolarHBondContact O-OG 3.17Å; L872-S874 VanDerWaalsContact C-N 3.31Å; L872-S874 PolarHBondContact O-N 3.18Å; S874-G876 VanDerWaalsContact C-N 3.32Å
875Q84.6Confident87.6Confident113 Ų11367.9 Ų67.953%0.52839%0.394SS..THydrogen-bonded Turntrans-91.48.2176-64.9-67.9-41.800112.5L871 L872 L873 I918L871-Q875 WeakPolarHBondContact O-CG 3.34Å; L871-Q875 PolarHBondContact O-N 3.48Å; L871-Q875 VanDerWaalsContact O-N 3.15Å; L872-Q875 CarbonylContact O-C 3.5Å; L872-Q875 PolarHBondContact O-N 3.14Å; L872-Q875 VanDerWaalsContact O-N 3.15Å; L873-Q875 PolarHBondContact O-N 3.17Å; Q875-I918 HydrophobicContact CB-CD1 4.26Å; Q875-I918 HydrophobicContact CG-CD1 4.16Å
876G88Confident87.9Confident67 Ų6766.7 Ų66.769%0.69139%0.387SS*.THydrogen-bonded Turntrans81.510.4176.300000115.3L872 L873 S874L872-G876 PolarHBondContact O-N 3.25Å; L873-G876 PolarHBondContact O-N 3.23Å; L873-G876 VanDerWaalsContact O-N 3.09Å; S874-G876 VanDerWaalsContact C-N 3.32Å
877L87.5Confident88.1Confident24 Ų2465 Ų6513%0.12638%0.375CS..  trans-91.8134176.3-61.6170.3000109.8L872 L873 A879 V888 D889 T911 E914 V915 I918L872-L877 CarbonylContact C-O 3.52Å; L872-L877 HydrophobicContact CB-CB 4.46Å; L872-L877 HydrophobicContact CD2-CD1 3.74Å; L872-L877 PolarHBondContact O-N 2.98Å; L873-L877 WeakPolarHBondContact CA-O 3.01Å; L877-A879 PolarHBondContact O-N 3.34Å; L877-V888 HydrophobicContact CB-CG1 3.91Å; L877-D889 WeakPolarHBondContact CD2-OD2 3.45Å; L877-T911 HydrophobicContact CD2-CG2 4.18Å; L877-E914 HydrophobicContact CD1-CG 4.38Å; L877-V915 HydrophobicContact CD1-CG2 4.08Å; L877-I918 HydrophobicContact CD1-CD1 4.02Å
878M89.4Confident88.4Confident140 Ų14061.9 Ų61.969%0.6936%0.358SS*.  trans-76.8108178.5-64.3-134.973.200109.6V888 D889M878-V888 CarbonylContact O-C 3.6Å; M878-V888 VanDerWaalsContact O-CA 3.25Å; M878-V888 WeakPolarHBondContact O-CA 3.29Å; M878-D889 WeakPolarHBondContact CB-OD1 3.19Å; M878-D889 PolarHBondContact N-OD1 3.47Å; M878-D889 PolarHBondContact O-N 3.32Å
879A90.9Very high88.4Confident6 Ų664.2 Ų64.25%0.0537%0.37CS..EExtended strand (participates in β ladder)trans-115.9126.8178.600000111.4K869 L872 L873 L877 L886 V887 V888K869-A879 WeakPolarHBondContact CE-O 3.35Å; K869-A879 HydrophobicContact CG-CB 4.05Å; L872-A879 HydrophobicContact CB-CB 3.93Å; L872-A879 HydrophobicContact CD1-CB 4.19Å; L873-A879 HydrophobicContact CG-CB 4.45Å; L877-A879 PolarHBondContact O-N 3.34Å; A879-L886 HydrophobicContact CB-CD1 4.2Å; A879-V887 CarbonylContact C-O 3.53Å; A879-V887 VanDerWaalsContact CA-O 3.32Å; A879-V887 WeakPolarHBondContact CA-O 3.44Å; A879-V888 HydrophobicContact CB-CG2 4.27Å
880E91.6Very high88.3Confident98 Ų9867.4 Ų67.446%0.45839%0.39SS..EExtended strand (participates in β ladder)trans-134.9155.4177.567.1173-176.900112.8V882 V887E880-V882 HydrophobicContact CG-CG2 4.12Å; E880-V887 HydrophobicContact CG-CB 4.48Å; E880-V887 PolarHBondContact N-O 2.88Å; E880-V887 PolarHBondContact O-N 3.08Å
881F90.9Very high88.3Confident86 Ų8663 Ų6338%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-94.9123.2175.8-85.5-73000109.7L865 K869 I885 L886L865-F881 HydrophobicContact CB-CE1 3.86Å; L865-F881 HydrophobicContact CB-CZ 3.64Å; L865-F881 HydrophobicContact CD1-CE1 4.38Å; K869-F881 HydrophobicContact CB-CE2 4.28Å; K869-F881 HydrophobicContact CD-CD2 3.76Å; K869-F881 HydrophobicContact CD-CE2 3.8Å; F881-I885 WeakPolarHBondContact CA-O 3.43Å; F881-L886 HydrophobicContact CD1-CB 4.29Å; F881-L886 HydrophobicContact CD1-CD1 4.34Å; F881-L886 HydrophobicContact CD2-CD1 4.25Å; F881-L886 HydrophobicContact CE1-CB 3.98Å; F881-L886 HydrophobicContact CE1-CD1 4.22Å; F881-L886 HydrophobicContact CE2-CD1 4.11Å; F881-L886 HydrophobicContact CG-CD1 4.36Å; F881-L886 HydrophobicContact CZ-CB 4.49Å; F881-L886 HydrophobicContact CZ-CD1 4.11Å
882V88.4Confident88.5Confident68 Ų6860.6 Ų60.641%0.41236%0.363SS..EExtended strand (participates in β ladder)trans-123.3113.2173.3-174.60000107.7E880 G884 I885 V887E880-V882 HydrophobicContact CG-CG2 4.12Å; V882-G884 VanDerWaalsContact C-N 3.29Å; V882-G884 PolarHBondContact O-N 2.95Å; V882-I885 PolarHBondContact N-O 3.03Å; V882-I885 WeakPolarHBondContact O-CB 3.41Å; V882-I885 PolarHBondContact O-N 2.96Å; V882-V887 HydrophobicContact CB-CG2 4.1Å; V882-V887 HydrophobicContact CG2-CB 4.49Å; V882-V887 HydrophobicContact CG2-CG2 4.05Å
883S83.2Confident88.5Confident124 Ų12461.9 Ų61.987%0.86737%0.373SS*.THydrogen-bonded Turntrans51.640.5178-57.60000115I885S883-I885 VanDerWaalsContact C-N 3.29Å; S883-I885 PolarHBondContact O-N 3Å
884G81.5Confident88.6Confident57 Ų5758 Ų5859%0.58835%0.352SS*.THydrogen-bonded Turntrans81.91.2179.400000115.2V882V882-G884 VanDerWaalsContact C-N 3.29Å; V882-G884 PolarHBondContact O-N 2.95Å
885I88.7Confident88.6Confident60 Ų6056.9 Ų56.931%0.30834%0.337SS..EExtended strand (participates in β ladder)trans-104.7137.4174.6-56.7174.4000108.3F881 V882 S883 V887 A893 I894 K895F881-I885 WeakPolarHBondContact CA-O 3.43Å; V882-I885 PolarHBondContact N-O 3.03Å; V882-I885 WeakPolarHBondContact O-CB 3.41Å; V882-I885 PolarHBondContact O-N 2.96Å; S883-I885 VanDerWaalsContact C-N 3.29Å; S883-I885 PolarHBondContact O-N 3Å; I885-V887 HydrophobicContact CG2-CG2 4.47Å; I885-A893 HydrophobicContact CG2-CB 3.86Å; I885-I894 WeakPolarHBondContact CG2-O 3.41Å; I885-K895 HydrophobicContact CD1-CB 4.48Å; I885-K895 HydrophobicContact CG1-CB 4.06Å; I885-K895 HydrophobicContact CG2-CB 4.17Å
886L91Very high88.7Confident0 Ų057.1 Ų57.10%033%0.333CS..EExtended strand (participates in β ladder)trans-88.9109.6175.7-177.166.6000109.2L865 L868 K869 L872 A879 F881 A893 I894L865-L886 HydrophobicContact CD2-CB 4.33Å; L865-L886 HydrophobicContact CD2-CD2 4.37Å; L868-L886 HydrophobicContact CB-CD2 4.32Å; L868-L886 HydrophobicContact CD2-CD2 4.11Å; L868-L886 HydrophobicContact CG-CD2 4.35Å; K869-L886 HydrophobicContact CB-CD1 3.71Å; K869-L886 HydrophobicContact CB-CD2 4.26Å; K869-L886 HydrophobicContact CD-CD1 4.15Å; K869-L886 HydrophobicContact CG-CD1 3.87Å; L872-L886 HydrophobicContact CD1-CD2 4.02Å; A879-L886 HydrophobicContact CB-CD1 4.2Å; F881-L886 HydrophobicContact CD1-CB 4.29Å; F881-L886 HydrophobicContact CD1-CD1 4.34Å; F881-L886 HydrophobicContact CD2-CD1 4.25Å; F881-L886 HydrophobicContact CE1-CB 3.98Å; F881-L886 HydrophobicContact CE1-CD1 4.22Å; F881-L886 HydrophobicContact CE2-CD1 4.11Å; F881-L886 HydrophobicContact CG-CD1 4.36Å; F881-L886 HydrophobicContact CZ-CB 4.49Å; F881-L886 HydrophobicContact CZ-CD1 4.11Å; L886-A893 CarbonylContact O-C 3.38Å; L886-A893 WeakPolarHBondContact O-CA 3.48Å; L886-I894 HydrophobicContact CB-CB 4.25Å; L886-I894 HydrophobicContact CD2-CD1 4.31Å; L886-I894 PolarHBondContact N-O 3.15Å; L886-I894 PolarHBondContact O-N 3.32Å
887V91.2Very high88.4Confident26 Ų2655.7 Ų55.716%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-97.7132-179.7-177.70000109.1A879 E880 V882 I885 V892A879-V887 CarbonylContact C-O 3.53Å; A879-V887 VanDerWaalsContact CA-O 3.32Å; A879-V887 WeakPolarHBondContact CA-O 3.44Å; E880-V887 HydrophobicContact CG-CB 4.48Å; E880-V887 PolarHBondContact N-O 2.88Å; E880-V887 PolarHBondContact O-N 3.08Å; V882-V887 HydrophobicContact CB-CG2 4.1Å; V882-V887 HydrophobicContact CG2-CB 4.49Å; V882-V887 HydrophobicContact CG2-CG2 4.05Å; I885-V887 HydrophobicContact CG2-CG2 4.47Å; V887-V892 CarbonylContact C-O 3.52Å; V887-V892 WeakPolarHBondContact CA-O 3.49Å
888V90.4Very high87.8Confident0 Ų064.7 Ų64.70%035%0.354CS..EExtended strand (participates in β ladder)trans-121.4123.9-177.8-167.30000109.8L872 L877 M878 A879 N890 C891 V892 T911 V915L872-V888 HydrophobicContact CD1-CG2 3.69Å; L877-V888 HydrophobicContact CB-CG1 3.91Å; M878-V888 CarbonylContact O-C 3.6Å; M878-V888 VanDerWaalsContact O-CA 3.25Å; M878-V888 WeakPolarHBondContact O-CA 3.29Å; A879-V888 HydrophobicContact CB-CG2 4.27Å; V888-N890 PolarHBondContact O-N 3.18Å; V888-C891 PolarHBondContact O-N 2.75Å; V888-V892 HydrophobicContact CB-CB 4.35Å; V888-V892 PolarHBondContact N-O 2.9Å; V888-V892 PolarHBondContact O-N 3.29Å; V888-V892 VanDerWaalsContact O-N 3.09Å; V888-T911 HydrophobicContact CG1-CG2 4.39Å; V888-V915 HydrophobicContact CB-CG2 4.17Å; V888-V915 HydrophobicContact CG1-CG2 3.8Å; V888-V915 HydrophobicContact CG2-CG2 4.35Å
889D88.3Confident87.1Confident52 Ų5262 Ų6228%0.27836%0.355SS..THydrogen-bonded Turntrans45.729.7-176.8-63.3-28.2000114.2L877 M878 C891 T911L877-D889 WeakPolarHBondContact CD2-OD2 3.45Å; M878-D889 WeakPolarHBondContact CB-OD1 3.19Å; M878-D889 PolarHBondContact N-OD1 3.47Å; M878-D889 PolarHBondContact O-N 3.32Å; D889-C891 PolarHBondContact O-N 3.08Å; D889-C891 PolarHBondContact O-SG 3.16Å; D889-T911 HydrophobicContact CB-CG2 4.16Å; D889-T911 VanDerWaalsContact OD2-CG2 3.31Å; D889-T911 WeakPolarHBondContact OD2-CG2 2.91Å
890N86.3Confident86.3Confident132 Ų13263.5 Ų63.571%0.70637%0.37SS*.THydrogen-bonded Turntrans5413.6-173.6-68.1-18.7000115.6V888V888-N890 PolarHBondContact O-N 3.18Å
891C87.3Confident85.6Confident53 Ų5366 Ų6636%0.35838%0.379SS..THydrogen-bonded Turntrans-117.1-22.4-175.6-65.40000112.9V888 D889 G906 L907V888-C891 PolarHBondContact O-N 2.75Å; D889-C891 PolarHBondContact O-N 3.08Å; D889-C891 PolarHBondContact O-SG 3.16Å; C891-G906 WeakPolarHBondContact O-CA 3.49Å; C891-L907 PolarHBondContact O-N 3.42Å
892V90.8Very high85.3Confident2 Ų263.9 Ų63.91%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-133.4137.7-173.6-174.40000109.2V887 V888 L904 E905 T911 Y912 V915V887-V892 CarbonylContact C-O 3.52Å; V887-V892 WeakPolarHBondContact CA-O 3.49Å; V888-V892 HydrophobicContact CB-CB 4.35Å; V888-V892 PolarHBondContact N-O 2.9Å; V888-V892 PolarHBondContact O-N 3.29Å; V888-V892 VanDerWaalsContact O-N 3.09Å; V892-L904 HydrophobicContact CG1-CD1 3.4Å; V892-L904 VanDerWaalsContact CG1-CD1 3.4Å; V892-L904 HydrophobicContact CG1-CG 4.21Å; V892-E905 CarbonylContact C-O 3.51Å; V892-E905 WeakPolarHBondContact CA-O 3.3Å; V892-T911 HydrophobicContact CG2-CG2 4.24Å; V892-Y912 HydrophobicContact CG1-CD2 4.17Å; V892-Y912 HydrophobicContact CG2-CD2 4.26Å; V892-V915 HydrophobicContact CG1-CB 4.4Å; V892-V915 HydrophobicContact CG1-CG1 4.13Å
893A90.8Very high85.3Confident26 Ų2664.2 Ų64.222%0.21537%0.371CS..EExtended strand (participates in β ladder)trans-127.5130.8-178.900000109.7I885 L886 E905I885-A893 HydrophobicContact CG2-CB 3.86Å; L886-A893 CarbonylContact O-C 3.38Å; L886-A893 WeakPolarHBondContact O-CA 3.48Å; A893-E905 PolarHBondContact N-O 3.16Å; A893-E905 PolarHBondContact O-N 3.37Å
894I90.7Very high85.6Confident0 Ų059.8 Ų59.80%034%0.337CS..EExtended strand (participates in β ladder)trans-113.6115176.5-45.2-177.6000107.8L865 L868 L872 I885 L886 L902 L903 L904 V915L865-I894 HydrophobicContact CD2-CB 4.23Å; L865-I894 HydrophobicContact CD2-CG2 3.72Å; L868-I894 HydrophobicContact CD2-CD1 3.49Å; L868-I894 VanDerWaalsContact CD2-CD1 3.49Å; L872-I894 HydrophobicContact CD1-CD1 4.43Å; I885-I894 WeakPolarHBondContact CG2-O 3.41Å; L886-I894 HydrophobicContact CB-CB 4.25Å; L886-I894 HydrophobicContact CD2-CD1 4.31Å; L886-I894 PolarHBondContact N-O 3.15Å; L886-I894 PolarHBondContact O-N 3.32Å; I894-L902 HydrophobicContact CG2-CD2 4.12Å; I894-L903 WeakPolarHBondContact CA-O 3.49Å; I894-L904 HydrophobicContact CD1-CD1 4.14Å; I894-L904 HydrophobicContact CG1-CD1 3.65Å; I894-V915 HydrophobicContact CD1-CG1 3.66Å; I894-V915 HydrophobicContact CG1-CG1 4.35Å
895K89.4Confident86Confident60 Ų6061.5 Ų61.526%0.26133%0.33SS..EExtended strand (participates in β ladder)trans-119.7144.717969.3-174.5-176.8-165.40111I885 L902 L903 E905I885-K895 HydrophobicContact CD1-CB 4.48Å; I885-K895 HydrophobicContact CG1-CB 4.06Å; I885-K895 HydrophobicContact CG2-CB 4.17Å; K895-L902 WeakPolarHBondContact O-CA 3.3Å; K895-L903 HydrophobicContact CD-CB 4.35Å; K895-L903 HydrophobicContact CD-CD1 4.39Å; K895-L903 VanDerWaalsContact CE-CD1 3.4Å; K895-L903 HydrophobicContact CG-CB 3.64Å; K895-L903 HydrophobicContact CG-CD1 4.23Å; K895-L903 PolarHBondContact N-O 3.2Å; K895-L903 PolarHBondContact O-N 2.96Å; K895-E905 VanDerWaalsContact CE-CD 3.46Å; K895-E905 VanDerWaalsContact CE-OE1 3.22Å; K895-E905 WeakPolarHBondContact CE-OE1 3.12Å; K895-E905 WeakPolarHBondContact CE-OE2 3.49Å; K895-E905 IonicContact NZ-OE1 3.78Å; K895-E905 PolarHBondContact NZ-OE1 3.1Å; K895-E905 IonicContact NZ-OE2 2.63Å; K895-E905 PolarHBondContact NZ-OE2 3.28Å
896R86Confident85.9Confident119 Ų11960.7 Ų60.745%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-96.7121.3170.5-159.3172.4-174.7-175.90.5108.2E862 L865 L902E862-R896 IonicContact OE1-NH2 3.81Å; E862-R896 IonicContact OE2-CZ 2.74Å; E862-R896 IonicContact OE2-NH2 3.77Å; E862-R896 PolarHBondContact OE2-NH2 2.85Å; L865-R896 HydrophobicContact CD1-CB 4.34Å; R896-L902 HydrophobicContact CB-CD2 4.04Å; R896-L902 HydrophobicContact CG-CD2 4.17Å
897S82.5Confident85.5Confident37 Ų3766.9 Ų66.926%0.25937%0.369SS..  trans-70.9161.3174.268.60000111.4A899 G900 K901S897-A899 PolarHBondContact O-N 3.35Å; S897-G900 PolarHBondContact O-N 3.32Å; S897-K901 PolarHBondContact N-O 2.75Å; S897-K901 WeakPolarHBondContact OG-CB 3.33Å; S897-K901 PolarHBondContact OG-N 3.32Å; S897-K901 VanDerWaalsContact OG-N 3.13Å; S897-K901 PolarHBondContact OG-O 3.12Å; S897-K901 VanDerWaalsContact OG-O 3.09Å
898E75.1Confident85.3Confident212 Ų21272.3 Ų72.399%0.99140%0.397SS*.THydrogen-bonded Turntrans-58.5-27.3175-65.4-179.6173.300112.7G900E898-G900 PolarHBondContact O-N 2.92Å
899A75Confident85.1Confident85 Ų8574.3 Ų74.370%0.70241%0.41SS*.THydrogen-bonded Turntrans-82.811.6174.500000113.8S897 K901S897-A899 PolarHBondContact O-N 3.35Å; A899-K901 VanDerWaalsContact C-N 3.27Å; A899-K901 PolarHBondContact O-N 3.36Å
900G72.1Confident85.1Confident36 Ų3674.8 Ų74.837%0.37143%0.427SS..SBendtrans80.3-7.3177.600000115.7S897 E898S897-G900 PolarHBondContact O-N 3.32Å; E898-G900 PolarHBondContact O-N 2.92Å
901K78.6Confident85.1Confident151 Ų15170.1 Ų70.166%0.65740%0.403SS*.  trans-72137.7178.2-59.2-179179.5177.40111.7S897 A899S897-K901 PolarHBondContact N-O 2.75Å; S897-K901 WeakPolarHBondContact OG-CB 3.33Å; S897-K901 PolarHBondContact OG-N 3.32Å; S897-K901 VanDerWaalsContact OG-N 3.13Å; S897-K901 PolarHBondContact OG-O 3.12Å; S897-K901 VanDerWaalsContact OG-O 3.09Å; A899-K901 VanDerWaalsContact C-N 3.27Å; A899-K901 PolarHBondContact O-N 3.36Å
902L83.7Confident85.2Confident42 Ų4269.5 Ų69.522%0.2239%0.394CS..EExtended strand (participates in β ladder)trans-85.2128.4169.5-74.5169000110.3P863 L865 I894 K895 R896 L919 F923P863-L902 HydrophobicContact CG-CD1 3.74Å; L865-L902 HydrophobicContact CD2-CD2 3.8Å; L865-L902 HydrophobicContact CG-CD2 4.27Å; I894-L902 HydrophobicContact CG2-CD2 4.12Å; K895-L902 WeakPolarHBondContact O-CA 3.3Å; R896-L902 HydrophobicContact CB-CD2 4.04Å; R896-L902 HydrophobicContact CG-CD2 4.17Å; L902-L919 HydrophobicContact CD1-CD1 4.17Å; L902-F923 HydrophobicContact CD1-CE2 4.43Å; L902-F923 HydrophobicContact CD1-CZ 4.04Å
903L87.8Confident85.2Confident74 Ų7474.8 Ų74.839%0.38742%0.417SS..EExtended strand (participates in β ladder)trans-112.4124.8177.3-72.1160.6000108.2I894 K895I894-L903 WeakPolarHBondContact CA-O 3.49Å; K895-L903 HydrophobicContact CD-CB 4.35Å; K895-L903 HydrophobicContact CD-CD1 4.39Å; K895-L903 VanDerWaalsContact CE-CD1 3.4Å; K895-L903 HydrophobicContact CG-CB 3.64Å; K895-L903 HydrophobicContact CG-CD1 4.23Å; K895-L903 PolarHBondContact N-O 3.2Å; K895-L903 PolarHBondContact O-N 2.96Å
904L89.9Confident85.1Confident31 Ų3176.9 Ų76.916%0.16242%0.422CS..EExtended strand (participates in β ladder)trans-102.8112.6174.4-176.970.9000107.8V892 I894 Y912 V915 R916V892-L904 HydrophobicContact CG1-CD1 3.4Å; V892-L904 VanDerWaalsContact CG1-CD1 3.4Å; V892-L904 HydrophobicContact CG1-CG 4.21Å; I894-L904 HydrophobicContact CD1-CD1 4.14Å; I894-L904 HydrophobicContact CG1-CD1 3.65Å; L904-Y912 HydrophobicContact CD2-CD2 4.27Å; L904-Y912 HydrophobicContact CD2-CE1 4.34Å; L904-Y912 HydrophobicContact CD2-CE2 3.72Å; L904-Y912 HydrophobicContact CG-CD2 4.29Å; L904-Y912 HydrophobicContact CG-CE2 3.67Å; L904-V915 HydrophobicContact CD1-CG1 3.76Å; L904-R916 HydrophobicContact CD2-CB 3.72Å; L904-R916 HydrophobicContact CD2-CG 4.19Å
905E89.8Confident85.1Confident93 Ų9377 Ų7744%0.43542%0.422SS..EExtended strand (participates in β ladder)trans-119.7137.9-179.4-67.7-178.7163.200109.2V892 A893 K895V892-E905 CarbonylContact C-O 3.51Å; V892-E905 WeakPolarHBondContact CA-O 3.3Å; A893-E905 PolarHBondContact N-O 3.16Å; A893-E905 PolarHBondContact O-N 3.37Å; K895-E905 VanDerWaalsContact CE-CD 3.46Å; K895-E905 VanDerWaalsContact CE-OE1 3.22Å; K895-E905 WeakPolarHBondContact CE-OE1 3.12Å; K895-E905 WeakPolarHBondContact CE-OE2 3.49Å; K895-E905 IonicContact NZ-OE1 3.78Å; K895-E905 PolarHBondContact NZ-OE1 3.1Å; K895-E905 IonicContact NZ-OE2 2.63Å; K895-E905 PolarHBondContact NZ-OE2 3.28Å
906G86.9Confident85.1Confident44 Ų4479 Ų7945%0.45443%0.429SS..EExtended strand (participates in β ladder)trans168.5170.7-179.600000113.1C891C891-G906 WeakPolarHBondContact O-CA 3.49Å
907L83.9Confident85.1Confident129 Ų12978.1 Ų78.168%0.67543%0.425SS*.  trans-69.1139.4172.7-70.1163.1000109.5C891 C909 Y912C891-L907 PolarHBondContact O-N 3.42Å; L907-C909 VanDerWaalsContact C-N 3.29Å; L907-C909 PolarHBondContact O-N 3.43Å; L907-Y912 WeakPolarHBondContact O-CB 3.3Å
908L85.2Confident85.3Confident141 Ų14176.5 Ų76.574%0.73841%0.414SS*.SBendtrans-69.285.7175.6-71.3167.5000110.1Y912 F913L908-Y912 HydrophobicContact CD2-CD1 4.02Å; L908-Y912 HydrophobicContact CD2-CE1 4Å; L908-F913 HydrophobicContact CD2-CZ 4.22Å
909C87.3Confident85.8Confident42 Ų4267.2 Ų67.228%0.28437%0.371SS..SBendtrans-127173.9177.166.30000111.2L907 T911 Y912 F913L907-C909 VanDerWaalsContact C-N 3.29Å; L907-C909 PolarHBondContact O-N 3.43Å; C909-T911 PolarHBondContact O-N 3.35Å; C909-Y912 WeakPolarHBondContact O-CB 3.48Å; C909-Y912 PolarHBondContact O-N 3.49Å; C909-F913 WeakPolarHBondContact O-CD2 3.45Å; C909-F913 PolarHBondContact O-N 3.18Å
910G87.4Confident86.2Confident61 Ų6168 Ų6863%0.62936%0.356SS*.Hα-helixtrans-53.4-41.8177.300000112.7Y912 F913 E914G910-Y912 VanDerWaalsContact C-N 3.32Å; G910-Y912 PolarHBondContact O-N 2.91Å; G910-F913 PolarHBondContact O-N 3.33Å; G910-E914 PolarHBondContact O-N 3.03Å
911T86.3Confident86.7Confident34 Ų3472.1 Ų72.121%0.20937%0.366CS..Hα-helixtrans-59.3-38.9175.6-50.50000112.6L877 V888 D889 V892 C909 F913 E914 V915L877-T911 HydrophobicContact CD2-CG2 4.18Å; V888-T911 HydrophobicContact CG1-CG2 4.39Å; D889-T911 HydrophobicContact CB-CG2 4.16Å; D889-T911 VanDerWaalsContact OD2-CG2 3.31Å; D889-T911 WeakPolarHBondContact OD2-CG2 2.91Å; V892-T911 HydrophobicContact CG2-CG2 4.24Å; C909-T911 PolarHBondContact O-N 3.35Å; T911-F913 PolarHBondContact O-N 2.97Å; T911-E914 PolarHBondContact O-N 3.35Å; T911-V915 HydrophobicContact CG2-CG2 4.1Å; T911-V915 WeakPolarHBondContact O-CB 3.35Å; T911-V915 WeakPolarHBondContact O-CG2 3.46Å; T911-V915 PolarHBondContact O-N 2.88Å
912Y91Very high86.7Confident41 Ų4167.1 Ų67.116%0.16135%0.345CS..Hα-helixtrans-62.4-45.3178179.7-88.6000112.2V892 L904 L907 L908 C909 G910 E914 R916V892-Y912 HydrophobicContact CG1-CD2 4.17Å; V892-Y912 HydrophobicContact CG2-CD2 4.26Å; L904-Y912 HydrophobicContact CD2-CD2 4.27Å; L904-Y912 HydrophobicContact CD2-CE1 4.34Å; L904-Y912 HydrophobicContact CD2-CE2 3.72Å; L904-Y912 HydrophobicContact CG-CD2 4.29Å; L904-Y912 HydrophobicContact CG-CE2 3.67Å; L907-Y912 WeakPolarHBondContact O-CB 3.3Å; L908-Y912 HydrophobicContact CD2-CD1 4.02Å; L908-Y912 HydrophobicContact CD2-CE1 4Å; C909-Y912 WeakPolarHBondContact O-CB 3.48Å; C909-Y912 PolarHBondContact O-N 3.49Å; G910-Y912 VanDerWaalsContact C-N 3.32Å; G910-Y912 PolarHBondContact O-N 2.91Å; Y912-E914 VanDerWaalsContact C-N 3.33Å; Y912-R916 VanDerWaalsContact O-CB 3.25Å; Y912-R916 WeakPolarHBondContact O-CB 3.41Å; Y912-R916 PolarHBondContact O-N 3.49Å
913F90Very high86.3Confident113 Ų11367 Ų6750%0.49634%0.343SS..Hα-helixtrans-68.1-35.4178.6-70.9-73.3000112.2L908 C909 G910 T911 R916 R917L908-F913 HydrophobicContact CD2-CZ 4.22Å; C909-F913 WeakPolarHBondContact O-CD2 3.45Å; C909-F913 PolarHBondContact O-N 3.18Å; G910-F913 PolarHBondContact O-N 3.33Å; T911-F913 PolarHBondContact O-N 2.97Å; F913-R916 PolarHBondContact O-N 3.23Å; F913-R917 WeakPolarHBondContact O-CB 3.44Å; F913-R917 PolarHBondContact O-N 3.13Å
914E89.3Confident85.4Confident70 Ų7063.5 Ų63.533%0.32732%0.324SS..Hα-helixtrans-70.1-45.6178-168.958.1-162.500112L877 G910 T911 Y912 R916 R917 I918L877-E914 HydrophobicContact CD1-CG 4.38Å; G910-E914 PolarHBondContact O-N 3.03Å; T911-E914 PolarHBondContact O-N 3.35Å; Y912-E914 VanDerWaalsContact C-N 3.33Å; E914-R916 VanDerWaalsContact C-N 3.3Å; E914-R916 PolarHBondContact O-N 3.32Å; E914-R917 WeakPolarHBondContact O-CB 3.34Å; E914-R917 PolarHBondContact O-N 2.84Å; E914-R917 VanDerWaalsContact O-N 3.16Å; E914-R917 IonicContact OE1-CZ 3.78Å; E914-R917 VanDerWaalsContact OE1-CZ 3.3Å; E914-R917 IonicContact OE1-NE 3.75Å; E914-R917 PolarHBondContact OE1-NE 3.23Å; E914-R917 IonicContact OE1-NH2 3.89Å; E914-R917 PolarHBondContact OE1-NH2 2.98Å; E914-R917 IonicContact OE2-NE 2.78Å; E914-R917 PolarHBondContact OE2-NE 3.19Å; E914-R917 VanDerWaalsContact OE2-NE 3.13Å; E914-I918 HydrophobicContact CG-CD1 4.29Å; E914-I918 WeakPolarHBondContact O-CG1 3.29Å; E914-I918 PolarHBondContact O-N 3.19Å
915V89.2Confident84.7Confident1 Ų165.2 Ų65.21%0.00633%0.333CS..Hα-helixtrans-60.2-41.7173.2173.70000110.9L872 L877 V888 V892 I894 L904 T911 R917 I918 L919L872-V915 HydrophobicContact CD2-CG1 4.48Å; L872-V915 HydrophobicContact CD2-CG2 4.05Å; L877-V915 HydrophobicContact CD1-CG2 4.08Å; V888-V915 HydrophobicContact CB-CG2 4.17Å; V888-V915 HydrophobicContact CG1-CG2 3.8Å; V888-V915 HydrophobicContact CG2-CG2 4.35Å; V892-V915 HydrophobicContact CG1-CB 4.4Å; V892-V915 HydrophobicContact CG1-CG1 4.13Å; I894-V915 HydrophobicContact CD1-CG1 3.66Å; I894-V915 HydrophobicContact CG1-CG1 4.35Å; L904-V915 HydrophobicContact CD1-CG1 3.76Å; T911-V915 HydrophobicContact CG2-CG2 4.1Å; T911-V915 WeakPolarHBondContact O-CB 3.35Å; T911-V915 WeakPolarHBondContact O-CG2 3.46Å; T911-V915 PolarHBondContact O-N 2.88Å; V915-R917 PolarHBondContact O-N 3.09Å; V915-I918 PolarHBondContact O-N 3.36Å; V915-L919 VanDerWaalsContact O-CB 3.31Å; V915-L919 WeakPolarHBondContact O-CB 3.33Å; V915-L919 PolarHBondContact O-N 3.31Å
916R89.2Confident83.7Confident104 Ų10462.9 Ų62.939%0.39232%0.323SS..Hα-helixtrans-61-42.8175.2-177179.9178.2-157.3-9.5111.9L904 Y912 F913 E914 L919 Y920L904-R916 HydrophobicContact CD2-CB 3.72Å; L904-R916 HydrophobicContact CD2-CG 4.19Å; Y912-R916 VanDerWaalsContact O-CB 3.25Å; Y912-R916 WeakPolarHBondContact O-CB 3.41Å; Y912-R916 PolarHBondContact O-N 3.49Å; F913-R916 PolarHBondContact O-N 3.23Å; E914-R916 VanDerWaalsContact C-N 3.3Å; E914-R916 PolarHBondContact O-N 3.32Å; R916-L919 PolarHBondContact O-N 3.24Å; R916-Y920 HydrophobicContact CG-CD2 3.88Å; R916-Y920 HydrophobicContact CG-CE2 3.64Å; R916-Y920 WeakPolarHBondContact O-CD2 3.37Å; R916-Y920 PolarHBondContact O-N 3.46Å
917R87Confident83.6Confident100 Ų10063.8 Ų63.838%0.37732%0.316SS..Hα-helixtrans-62.1-48.6177.7-172.5-172.171.672.6-1.7110.8F913 E914 V915 L919 Y920 Q921F913-R917 WeakPolarHBondContact O-CB 3.44Å; F913-R917 PolarHBondContact O-N 3.13Å; E914-R917 WeakPolarHBondContact O-CB 3.34Å; E914-R917 PolarHBondContact O-N 2.84Å; E914-R917 VanDerWaalsContact O-N 3.16Å; E914-R917 IonicContact OE1-CZ 3.78Å; E914-R917 VanDerWaalsContact OE1-CZ 3.3Å; E914-R917 IonicContact OE1-NE 3.75Å; E914-R917 PolarHBondContact OE1-NE 3.23Å; E914-R917 IonicContact OE1-NH2 3.89Å; E914-R917 PolarHBondContact OE1-NH2 2.98Å; E914-R917 IonicContact OE2-NE 2.78Å; E914-R917 PolarHBondContact OE2-NE 3.19Å; E914-R917 VanDerWaalsContact OE2-NE 3.13Å; V915-R917 PolarHBondContact O-N 3.09Å; R917-L919 VanDerWaalsContact C-N 3.34Å; R917-L919 PolarHBondContact O-N 3.25Å; R917-Y920 PolarHBondContact O-N 3.23Å; R917-Q921 VanDerWaalsContact NH1-CD 3.27Å; R917-Q921 VanDerWaalsContact NH1-OE1 3.08Å; R917-Q921 WeakPolarHBondContact O-CG 3.42Å; R917-Q921 PolarHBondContact O-N 3.46Å; R917-Q921 VanDerWaalsContact O-N 3.08Å
918I86.7Confident83.5Confident3 Ų360.4 Ų60.42%0.01530%0.298CS..Hα-helixtrans-61.8-43.1178.3-67.4169.1000110.7L868 L871 L872 Q875 L877 E914 V915 Q921 Q922L868-I918 HydrophobicContact CD1-CG2 4.28Å; L871-I918 HydrophobicContact CD2-CG2 3.46Å; L871-I918 VanDerWaalsContact CD2-CG2 3.46Å; L871-I918 HydrophobicContact CG-CG2 4.1Å; L872-I918 HydrophobicContact CD2-CB 4.45Å; L872-I918 HydrophobicContact CD2-CD1 3.84Å; L872-I918 HydrophobicContact CD2-CG2 4.16Å; Q875-I918 HydrophobicContact CB-CD1 4.26Å; Q875-I918 HydrophobicContact CG-CD1 4.16Å; L877-I918 HydrophobicContact CD1-CD1 4.02Å; E914-I918 HydrophobicContact CG-CD1 4.29Å; E914-I918 WeakPolarHBondContact O-CG1 3.29Å; E914-I918 PolarHBondContact O-N 3.19Å; V915-I918 PolarHBondContact O-N 3.36Å; I918-Q921 WeakPolarHBondContact O-CB 3.35Å; I918-Q921 PolarHBondContact O-N 3.45Å; I918-Q922 PolarHBondContact O-N 3.21Å
919L86.2Confident83.5Confident17 Ų1755.9 Ų55.99%0.08927%0.273CS..Hα-helixtrans-61.3-46.1177.9-17767.9000111.7L868 L902 V915 R916 R917 Q921 Q922 F923L868-L919 HydrophobicContact CD1-CD1 4.24Å; L868-L919 HydrophobicContact CD2-CD1 3.74Å; L902-L919 HydrophobicContact CD1-CD1 4.17Å; V915-L919 VanDerWaalsContact O-CB 3.31Å; V915-L919 WeakPolarHBondContact O-CB 3.33Å; V915-L919 PolarHBondContact O-N 3.31Å; R916-L919 PolarHBondContact O-N 3.24Å; R917-L919 VanDerWaalsContact C-N 3.34Å; R917-L919 PolarHBondContact O-N 3.25Å; L919-Q921 VanDerWaalsContact C-N 3.29Å; L919-Q921 PolarHBondContact O-N 2.9Å; L919-Q922 WeakPolarHBondContact O-CB 3.31Å; L919-Q922 PolarHBondContact O-N 3.01Å; L919-Q922 VanDerWaalsContact O-N 3.1Å; L919-F923 HydrophobicContact CD1-CE2 4.31Å; L919-F923 HydrophobicContact CG-CE2 4.33Å; L919-F923 WeakPolarHBondContact O-CD2 3.33Å
920Y83.5Confident83.2Confident100 Ų10056.7 Ų56.739%0.39227%0.272SS..Hα-helixtrans-65.7-30.8177.6-78.7-48.8000113.3F859 R916 R917 Q922 F923 I925F859-Y920 HydrophobicContact CE1-CD1 4.26Å; F859-Y920 HydrophobicContact CE1-CE1 4Å; F859-Y920 HydrophobicContact CZ-CE1 4.45Å; R916-Y920 HydrophobicContact CG-CD2 3.88Å; R916-Y920 HydrophobicContact CG-CE2 3.64Å; R916-Y920 WeakPolarHBondContact O-CD2 3.37Å; R916-Y920 PolarHBondContact O-N 3.46Å; R917-Y920 PolarHBondContact O-N 3.23Å; Y920-Q922 PolarHBondContact O-N 3.25Å; Y920-F923 PolarHBondContact O-N 2.79Å; Y920-F923 VanDerWaalsContact O-O 3.08Å; Y920-I925 HydrophobicContact CD1-CD1 3.68Å; Y920-I925 HydrophobicContact CE1-CD1 4.32Å; Y920-I925 HydrophobicContact CG-CD1 4.23Å
921Q81Confident83Confident123 Ų12356.4 Ų56.458%0.57525%0.25SS*.THydrogen-bonded Turntrans-65.4-15.5173.8-74.4-177.9-28.200113.6R917 I918 L919R917-Q921 VanDerWaalsContact NH1-CD 3.27Å; R917-Q921 VanDerWaalsContact NH1-OE1 3.08Å; R917-Q921 WeakPolarHBondContact O-CG 3.42Å; R917-Q921 PolarHBondContact O-N 3.46Å; R917-Q921 VanDerWaalsContact O-N 3.08Å; I918-Q921 WeakPolarHBondContact O-CB 3.35Å; I918-Q921 PolarHBondContact O-N 3.45Å; L919-Q921 VanDerWaalsContact C-N 3.29Å; L919-Q921 PolarHBondContact O-N 2.9Å
922Q80.3Confident82.7Confident46 Ų4657.9 Ų57.922%0.21525%0.253CS..THydrogen-bonded Turntrans-85.3-13.3176.3-61.8-54.7-64.700113.9N861 P863 L868 L871 I918 L919 Y920N861-Q922 PolarHBondContact ND2-O 3.41Å; P863-Q922 HydrophobicContact CB-CB 3.9Å; P863-Q922 HydrophobicContact CG-CB 4.32Å; L868-Q922 HydrophobicContact CD1-CG 4Å; L871-Q922 HydrophobicContact CD2-CG 4.18Å; I918-Q922 PolarHBondContact O-N 3.21Å; L919-Q922 WeakPolarHBondContact O-CB 3.31Å; L919-Q922 PolarHBondContact O-N 3.01Å; L919-Q922 VanDerWaalsContact O-N 3.1Å; Y920-Q922 PolarHBondContact O-N 3.25Å
923F74.8Confident82.2Confident40 Ų4059.1 Ų59.118%0.17526%0.26CS..SBendtrans-103.5144.4175-67.2-80.6000109.7F859 N861 P863 L902 L919 Y920 I925F859-F923 HydrophobicContact CB-CD1 3.94Å; F859-F923 HydrophobicContact CB-CE1 4.36Å; F859-F923 HydrophobicContact CD1-CB 4Å; F859-F923 HydrophobicContact CD1-CD1 4.25Å; F859-F923 HydrophobicContact CD1-CD2 4.48Å; F859-F923 HydrophobicContact CD1-CG 4.02Å; N861-F923 VanDerWaalsContact O-CD1 3.32Å; N861-F923 WeakPolarHBondContact O-CD1 3.43Å; N861-F923 WeakPolarHBondContact O-CE1 3.43Å; P863-F923 HydrophobicContact CG-CD1 4.38Å; P863-F923 HydrophobicContact CG-CD2 4.21Å; P863-F923 HydrophobicContact CG-CE1 3.74Å; P863-F923 HydrophobicContact CG-CE2 3.52Å; P863-F923 HydrophobicContact CG-CZ 3.27Å; L902-F923 HydrophobicContact CD1-CE2 4.43Å; L902-F923 HydrophobicContact CD1-CZ 4.04Å; L919-F923 HydrophobicContact CD1-CE2 4.31Å; L919-F923 HydrophobicContact CG-CE2 4.33Å; L919-F923 WeakPolarHBondContact O-CD2 3.33Å; Y920-F923 PolarHBondContact O-N 2.79Å; Y920-F923 VanDerWaalsContact O-O 3.08Å; F923-I925 HydrophobicContact CB-CG1 4.24Å
924A69.5Low81.6Confident0 Ų055 Ų550%024%0.241CC..EExtended strand (participates in β ladder)trans-82.3133148.700000108.1T776 I778 F859 V860T776-A924 HydrophobicContact CG2-CB 3.86Å; I778-A924 HydrophobicContact CD1-CB 3.18Å; I778-A924 HydrophobicContact CG1-CB 3.42Å; I778-A924 VanDerWaalsContact CG1-CB 3.42Å; F859-A924 WeakPolarHBondContact CA-O 3.4Å; V860-A924 HydrophobicContact CB-CB 4.27Å; V860-A924 PolarHBondContact N-O 3.19Å; V860-A924 PolarHBondContact O-N 3.07Å
925I73.4Confident80.9Confident67 Ų6753.8 Ų53.834%0.34423%0.234SC..EExtended strand (participates in β ladder)trans-108.4102.7177-53.9-180000104.3T857 F859 Y920 F923T857-I925 HydrophobicContact CG2-CG2 3.25Å; F859-I925 HydrophobicContact CD1-CD1 4.35Å; F859-I925 HydrophobicContact CD1-CG1 3.84Å; F859-I925 HydrophobicContact CE1-CD1 3.76Å; F859-I925 HydrophobicContact CE1-CG1 3.71Å; F859-I925 HydrophobicContact CE1-CG2 4.23Å; Y920-I925 HydrophobicContact CD1-CD1 3.68Å; Y920-I925 HydrophobicContact CE1-CD1 4.32Å; Y920-I925 HydrophobicContact CG-CD1 4.23Å; F923-I925 HydrophobicContact CB-CG1 4.24Å
926L70.1Confident80.2Confident44 Ų4458.5 Ų58.523%0.2326%0.255CS..  trans-89.50175.5-64.6176.7000109.4L783 H855 T857 V858 V860L783-L926 HydrophobicContact CB-CD1 4.4Å; L783-L926 HydrophobicContact CB-CD2 4.36Å; H855-L926 VanDerWaalsContact CE1-C 3.44Å; H855-L926 PolarHBondContact CE1-O 3.42Å; H855-L926 PolarHBondContact CE1-OXT 3.28Å; T857-L926 CarbonylContact C-O 3.56Å; T857-L926 WeakPolarHBondContact CA-O 3.2Å; V858-L926 HydrophobicContact CB-CB 4.38Å; V858-L926 PolarHBondContact N-O 2.73Å; V858-L926 PolarHBondContact O-N 2.67Å; V860-L926 HydrophobicContact CG2-CD1 3.72Å; V860-L926 HydrophobicContact CG2-CG 4.25Å

Retrieved 926 of 926 residues in 646.6 ms (Link to these results)

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