A0A096M6F5_POEFO Loading...

Cilia and flagella associated protein 161

AlphaFold DB , UniProt , Accession A0A096M6F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M90.1Very high83.4Confident26 Ų2655.9 Ų55.913%0.12830%0.298CS..  0138.40-178.6164.966.300108.3V3 V14 I44 T50 G191 L203M1-V3 HydrophobicContact CE-CG2 3.79Å; M1-V3 HydrophobicContact CG-CG2 4.03Å; M1-V14 HydrophobicContact CG-CG1 3.35Å; M1-V14 HydrophobicContact SD-CG1 3.52Å; M1-V14 VanDerWaalsContact SD-CG1 3.52Å; M1-V14 HydrophobicContact SD-CG2 4.25Å; M1-I44 HydrophobicContact CE-CG2 3.41Å; M1-I44 VanDerWaalsContact CE-CG2 3.41Å; M1-I44 HydrophobicContact SD-CG2 4.38Å; M1-T50 WeakPolarHBondContact CA-O 3.42Å; M1-G191 PolarHBondContact N-O 3.1Å; M1-G191 PolarHBondContact O-N 2.73Å; M1-L203 HydrophobicContact CE-CD1 3.34Å; M1-L203 HydrophobicContact CE-CD2 4.23Å; M1-L203 HydrophobicContact CE-CG 4.36Å
2L94.1Very high83.9Confident5 Ų555 Ų553%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-101115.7176.4-8672.9000109.1V14 L15 L74 V143 L152 W188 L190L2-V14 WeakPolarHBondContact O-CA 3.46Å; L2-V14 WeakPolarHBondContact O-CG1 3.39Å; L2-L15 HydrophobicContact CB-CB 3.89Å; L2-L15 HydrophobicContact CB-CD2 4.35Å; L2-L15 HydrophobicContact CD2-CD2 4.04Å; L2-L15 PolarHBondContact O-N 2.93Å; L2-L74 HydrophobicContact CD1-CD1 4.33Å; L2-L74 HydrophobicContact CD1-CD2 3.97Å; L2-L74 HydrophobicContact CD2-CD1 3.7Å; L2-V143 HydrophobicContact CD2-CG2 4.11Å; L2-L152 HydrophobicContact CD2-CD2 4.06Å; L2-W188 HydrophobicContact CB-CE3 3.89Å; L2-W188 HydrophobicContact CB-CZ3 4.29Å; L2-L190 HydrophobicContact CD1-CD2 3.82Å; L2-L190 HydrophobicContact CD2-CD2 4.46Å; L2-L190 HydrophobicContact CG-CD2 3.81Å
3V94.9Very high84.6Confident0 Ų050.8 Ų50.80%027%0.269CS..EExtended strand (participates in β ladder)trans-113.5126.3-176.3-175.30000109.6M1 S13 V14 I44 W188 I189 L203M1-V3 HydrophobicContact CE-CG2 3.79Å; M1-V3 HydrophobicContact CG-CG2 4.03Å; V3-S13 CarbonylContact C-O 3.51Å; V3-S13 WeakPolarHBondContact CA-O 3.45Å; V3-V14 HydrophobicContact CG1-CG2 4.4Å; V3-V14 HydrophobicContact CG2-CG2 4.15Å; V3-I44 HydrophobicContact CG1-CD1 3.96Å; V3-I44 HydrophobicContact CG1-CG1 4.4Å; V3-I44 HydrophobicContact CG2-CG2 4.39Å; V3-W188 CarbonylContact O-C 3.32Å; V3-W188 WeakPolarHBondContact O-CA 3.26Å; V3-I189 HydrophobicContact CB-CB 4.49Å; V3-I189 PolarHBondContact N-O 3.24Å; V3-I189 PolarHBondContact O-N 2.78Å; V3-L203 HydrophobicContact CG2-CD2 4.25Å
4N94.8Very high85.3Confident0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-95.1122.6165.2-176.3-70.8000107.9G6 R10 H12 S13 V154 D184 V185 F187 W188N4-G6 PolarHBondContact O-N 2.79Å; N4-G6 VanDerWaalsContact O-N 3.13Å; N4-G6 WeakPolarHBondContact OD1-CA 3.41Å; N4-G6 PolarHBondContact OD1-N 2.91Å; N4-R10 VanDerWaalsContact OD1-CZ 3.29Å; N4-R10 PolarHBondContact OD1-NH1 2.91Å; N4-R10 PolarHBondContact OD1-NH2 3.08Å; N4-H12 WeakPolarHBondContact O-CA 3.19Å; N4-S13 PolarHBondContact N-O 3.4Å; N4-S13 PolarHBondContact O-N 3.12Å; N4-V154 HydrophobicContact CB-CG1 3.52Å; N4-V154 VanDerWaalsContact CG-CG1 3.41Å; N4-D184 PolarHBondContact ND2-O 2.86Å; N4-V185 PolarHBondContact ND2-O 3.18Å; N4-V185 VanDerWaalsContact ND2-O 3.13Å; N4-F187 PolarHBondContact ND2-O 3.39Å; N4-W188 HydrophobicContact CB-CD2 4.25Å; N4-W188 HydrophobicContact CB-CE3 3.9Å; N4-W188 HydrophobicContact CB-CH2 4.16Å; N4-W188 HydrophobicContact CB-CZ2 4.46Å; N4-W188 HydrophobicContact CB-CZ3 3.86Å
5V84.9Confident86.1Confident46 Ų4644 Ų4428%0.27923%0.233SC..  trans-75.93.4-173.9-166.20000111.9H12 I189 L206V5-H12 WeakPolarHBondContact CA-ND1 3.36Å; V5-H12 VanDerWaalsContact CG1-CE1 3.41Å; V5-H12 WeakPolarHBondContact CG1-CE1 3.06Å; V5-H12 WeakPolarHBondContact CG1-ND1 3.44Å; V5-H12 PolarHBondContact O-CE1 3.1Å; V5-H12 PolarHBondContact O-ND1 2.79Å; V5-I189 HydrophobicContact CG2-CD1 3.32Å; V5-I189 HydrophobicContact CG2-CG1 3.9Å; V5-L206 HydrophobicContact CG1-CD2 4.01Å
6G80.7Confident86.7Confident13 Ų1341.3 Ų41.313%0.13422%0.219CC..  trans70.4-170.1179.900000112.3N4 R10 D184N4-G6 PolarHBondContact O-N 2.79Å; N4-G6 VanDerWaalsContact O-N 3.13Å; N4-G6 WeakPolarHBondContact OD1-CA 3.41Å; N4-G6 PolarHBondContact OD1-N 2.91Å; G6-R10 VanDerWaalsContact CA-O 3.32Å; G6-R10 WeakPolarHBondContact CA-O 3.15Å; G6-D184 VanDerWaalsContact C-OD2 3.31Å
7G76.2Confident87.1Confident31 Ų3139.1 Ų39.132%0.3221%0.207SC..BIsolated β-bridgetrans-132.8-173.7177.400000109.5D9 R10 D184G7-D9 PolarHBondContact O-N 3.43Å; G7-D9 VanDerWaalsContact O-N 3.08Å; G7-R10 PolarHBondContact N-O 2.86Å; G7-R10 PolarHBondContact O-N 2.88Å; G7-R10 VanDerWaalsContact O-N 3.14Å; G7-R10 VanDerWaalsContact O-O 3.12Å; G7-D184 WeakPolarHBondContact CA-OD2 3.27Å; G7-D184 PolarHBondContact N-OD2 3.26Å; G7-D184 VanDerWaalsContact N-OD2 3.17Å
8Q68.2Low87.4Confident202 Ų20238.3 Ų38.394%0.94420%0.203SC*.THydrogen-bonded Turntrans-53.5-34.7-177.7-75.8-171.1-18.700113.6
9D70.3Confident87Confident167 Ų16736.6 Ų36.689%0.89319%0.194SC*.THydrogen-bonded Turntrans-109.48.5-176.7-59.5-49.9000114G7G7-D9 PolarHBondContact O-N 3.43Å; G7-D9 VanDerWaalsContact O-N 3.08Å
10R80.3Confident86.2Confident27 Ų2738 Ų3810%0.10220%0.202CC..BIsolated β-bridgetrans-133.5122.4-172.8-179-179.458.8132.211.6111.3N4 G6 G7 V154 D184N4-R10 VanDerWaalsContact OD1-CZ 3.29Å; N4-R10 PolarHBondContact OD1-NH1 2.91Å; N4-R10 PolarHBondContact OD1-NH2 3.08Å; G6-R10 VanDerWaalsContact CA-O 3.32Å; G6-R10 WeakPolarHBondContact CA-O 3.15Å; G7-R10 PolarHBondContact N-O 2.86Å; G7-R10 PolarHBondContact O-N 2.88Å; G7-R10 VanDerWaalsContact O-N 3.14Å; G7-R10 VanDerWaalsContact O-O 3.12Å; R10-V154 PolarHBondContact NH1-O 3.02Å; R10-D184 IonicContact CZ-OD2 2.74Å; R10-D184 IonicContact NE-OD2 3.77Å; R10-D184 PolarHBondContact NH2-O 3.3Å; R10-D184 IonicContact NH2-OD2 2.85Å; R10-D184 PolarHBondContact NH2-OD2 2.92Å
11E83.3Confident85.1Confident98 Ų9841 Ų4146%0.45822%0.222SC..  trans-57.7152.2175-62.7171.1147.200112.6S13 K42 Y168E11-S13 PolarHBondContact O-OG 3.14Å; E11-K42 IonicContact OE2-NZ 2.66Å; E11-K42 PolarHBondContact OE2-NZ 3.08Å; E11-Y168 PolarHBondContact OE2-OH 3.17Å
12H88.5Confident83.9Confident45 Ų4545.2 Ų45.221%0.20825%0.245CC..  trans-53.9142169.6-52.6-51.3000111.4N4 V5 I44N4-H12 WeakPolarHBondContact O-CA 3.19Å; V5-H12 WeakPolarHBondContact CA-ND1 3.36Å; V5-H12 VanDerWaalsContact CG1-CE1 3.41Å; V5-H12 WeakPolarHBondContact CG1-CE1 3.06Å; V5-H12 WeakPolarHBondContact CG1-ND1 3.44Å; V5-H12 PolarHBondContact O-CE1 3.1Å; V5-H12 PolarHBondContact O-ND1 2.79Å; H12-I44 HydrophobicContact CB-CD1 3.9Å; H12-I44 HydrophobicContact CB-CG1 4.1Å
13S93.1Very high82.5Confident0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-133.6150.5-177.1-57.40000110.8V3 N4 E11 G41 Y168V3-S13 CarbonylContact C-O 3.51Å; V3-S13 WeakPolarHBondContact CA-O 3.45Å; N4-S13 PolarHBondContact N-O 3.4Å; N4-S13 PolarHBondContact O-N 3.12Å; E11-S13 PolarHBondContact O-OG 3.14Å; S13-G41 CarbonylContact C-O 3.53Å; S13-G41 WeakPolarHBondContact CA-O 3.42Å; S13-Y168 WeakPolarHBondContact OG-CD2 3.38Å; S13-Y168 WeakPolarHBondContact OG-CE2 3.36Å
14V94.9Very high81.2Confident0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-124.8133.3179.8-178.60000110.3M1 L2 V3 S16 G40 G41 I44 T50M1-V14 HydrophobicContact CG-CG1 3.35Å; M1-V14 HydrophobicContact SD-CG1 3.52Å; M1-V14 VanDerWaalsContact SD-CG1 3.52Å; M1-V14 HydrophobicContact SD-CG2 4.25Å; L2-V14 WeakPolarHBondContact O-CA 3.46Å; L2-V14 WeakPolarHBondContact O-CG1 3.39Å; V3-V14 HydrophobicContact CG1-CG2 4.4Å; V3-V14 HydrophobicContact CG2-CG2 4.15Å; V14-S16 PolarHBondContact O-N 3.16Å; V14-S16 VanDerWaalsContact O-N 3.11Å; V14-S16 PolarHBondContact O-OG 2.87Å; V14-G40 CarbonylContact O-C 3.47Å; V14-G41 PolarHBondContact N-O 3.5Å; V14-G41 PolarHBondContact O-N 3.38Å; V14-I44 HydrophobicContact CG2-CB 4.21Å; V14-I44 HydrophobicContact CG2-CG1 4.07Å; V14-I44 HydrophobicContact CG2-CG2 4.02Å; V14-T50 HydrophobicContact CB-CG2 4.3Å; V14-T50 HydrophobicContact CG1-CG2 3.55Å
15L96.8Very high80Confident0 Ų051.6 Ų51.60%028%0.282CS..EExtended strand (participates in β ladder)trans-58.8120172.3-176.966.8000109.4L2 V38 F52 L86 L152 V170 W188L2-L15 HydrophobicContact CB-CB 3.89Å; L2-L15 HydrophobicContact CB-CD2 4.35Å; L2-L15 HydrophobicContact CD2-CD2 4.04Å; L2-L15 PolarHBondContact O-N 2.93Å; L15-V38 HydrophobicContact CD1-CB 4.01Å; L15-V38 HydrophobicContact CD1-CG1 4.49Å; L15-V38 HydrophobicContact CD1-CG2 4.05Å; L15-F52 HydrophobicContact CB-CE2 4.44Å; L15-F52 HydrophobicContact CD2-CE1 4.34Å; L15-F52 HydrophobicContact CD2-CE2 4.02Å; L15-F52 HydrophobicContact CD2-CZ 3.92Å; L15-F52 HydrophobicContact CG-CE2 3.99Å; L15-F52 HydrophobicContact CG-CZ 3.99Å; L15-L86 HydrophobicContact CD2-CD1 4.29Å; L15-L86 HydrophobicContact CD2-CD2 4Å; L15-L152 HydrophobicContact CD2-CD2 4.36Å; L15-V170 HydrophobicContact CD1-CG1 3.94Å; L15-V170 HydrophobicContact CD1-CG2 4.24Å; L15-W188 HydrophobicContact CB-CH2 4.36Å; L15-W188 HydrophobicContact CB-CZ3 4.01Å
16S95.6Very high79.1Confident1 Ų157.6 Ų57.61%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-132141.8-169.6-65.30000110.9V14 N18 V38 S39 R49 T50V14-S16 PolarHBondContact O-N 3.16Å; V14-S16 VanDerWaalsContact O-N 3.11Å; V14-S16 PolarHBondContact O-OG 2.87Å; S16-N18 PolarHBondContact O-N 2.91Å; S16-V38 CarbonylContact O-C 3.57Å; S16-V38 VanDerWaalsContact O-CA 3.24Å; S16-V38 WeakPolarHBondContact O-CA 3.47Å; S16-V38 WeakPolarHBondContact O-CB 3.32Å; S16-S39 WeakPolarHBondContact CB-O 3.26Å; S16-S39 PolarHBondContact N-O 3.33Å; S16-S39 PolarHBondContact O-N 3.37Å; S16-R49 CarbonylContact C-O 3.6Å; S16-R49 WeakPolarHBondContact CA-O 3.45Å; S16-T50 WeakPolarHBondContact OG-CG2 3.45Å
17I94.7Very high78Confident3 Ų362.3 Ų62.32%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-67.1126.8169.5-54.1166.8000109.4A19 I32 R49 F52 T76 A81 L107I17-A19 PolarHBondContact O-N 2.79Å; I17-I32 HydrophobicContact CB-CD1 4.5Å; I17-I32 HydrophobicContact CD1-CD1 4.24Å; I17-I32 HydrophobicContact CG2-CD1 3.51Å; I17-R49 HydrophobicContact CB-CG 4Å; I17-R49 WeakPolarHBondContact CG1-O 3.48Å; I17-R49 PolarHBondContact N-O 2.66Å; I17-R49 WeakPolarHBondContact O-CD 3.44Å; I17-R49 WeakPolarHBondContact O-CG 3.32Å; I17-F52 HydrophobicContact CG1-CZ 4.33Å; I17-T76 HydrophobicContact CD1-CG2 3.65Å; I17-T76 HydrophobicContact CG1-CG2 3.96Å; I17-A81 HydrophobicContact CD1-CB 3.73Å; I17-L107 HydrophobicContact CB-CD1 4.17Å; I17-L107 HydrophobicContact CG1-CD1 3.82Å; I17-L107 HydrophobicContact CG2-CD1 3.72Å
18N91.4Very high77.2Confident26 Ų2667.4 Ų67.414%0.13936%0.358CS..EExtended strand (participates in β ladder)trans-100.180.7177.2-1762.1000110.7S16 C36 G37 T162S16-N18 PolarHBondContact O-N 2.91Å; N18-C36 PolarHBondContact O-SG 2.9Å; N18-G37 WeakPolarHBondContact CA-O 3.41Å; N18-G37 WeakPolarHBondContact CB-O 3.42Å; N18-G37 PolarHBondContact N-O 3.41Å; N18-T162 WeakPolarHBondContact ND2-CG2 3.4Å; N18-T162 WeakPolarHBondContact OD1-CG2 3.24Å
19A80.5Confident77.2Confident5 Ų564.1 Ų64.14%0.04135%0.346CS..  trans-93.511717300000110.6I17 I32I17-A19 PolarHBondContact O-N 2.79Å; A19-I32 HydrophobicContact CB-CD1 4.13Å; A19-I32 HydrophobicContact CB-CG1 4.1Å; A19-I32 HydrophobicContact CB-CG2 4.37Å
20N70.4Confident77.2Confident64 Ų6459.8 Ų59.834%0.34233%0.327SS..  trans-88.5160.9166-169.38.9000110D22 N23 V24N20-D22 PolarHBondContact ND2-OD2 2.94Å; N20-D22 PolarHBondContact O-N 3.25Å; N20-N23 CarbonylContact O-C 3.44Å; N20-N23 VanDerWaalsContact O-CA 3.29Å; N20-N23 WeakPolarHBondContact O-CA 3.32Å; N20-N23 WeakPolarHBondContact O-CB 3.48Å; N20-N23 PolarHBondContact O-N 3.11Å; N20-V24 PolarHBondContact O-N 2.93Å
21V64.4Low77.2Confident102 Ų10259.4 Ų59.462%0.61833%0.328SS*.G310 helixtrans-54.2-35.4176.1-177.70000111.8N23 V24V21-N23 PolarHBondContact O-N 2.86Å; V21-V24 PolarHBondContact O-N 3.25Å
22D65Low77.1Confident115 Ų11554.8 Ų54.862%0.61531%0.307SS*.G310 helixtrans-66.1-26.4175-57.5-41.4000112.9N20 V24 K33N20-D22 PolarHBondContact ND2-OD2 2.94Å; N20-D22 PolarHBondContact O-N 3.25Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-K33 PolarHBondContact O-NZ 3.21Å
23N62.8Low76.9Confident60 Ų6056.9 Ų56.932%0.32132%0.316SS..G310 helixtrans-93.917.3-179.6-60-19.7000112.3N20 V21 I32 K33N20-N23 CarbonylContact O-C 3.44Å; N20-N23 VanDerWaalsContact O-CA 3.29Å; N20-N23 WeakPolarHBondContact O-CA 3.32Å; N20-N23 WeakPolarHBondContact O-CB 3.48Å; N20-N23 PolarHBondContact O-N 3.11Å; V21-N23 PolarHBondContact O-N 2.86Å; N23-I32 CarbonylContact O-C 3.58Å; N23-K33 WeakPolarHBondContact O-CB 3.38Å; N23-K33 PolarHBondContact O-N 3.3Å
24V69.4Low76.4Confident33 Ų3360.4 Ų60.420%0.233%0.333CS..EExtended strand (participates in β ladder)trans-113.1130.9173.7-178.50000110.2N20 V21 D22 P30 S31 F80N20-V24 PolarHBondContact O-N 2.93Å; V21-V24 PolarHBondContact O-N 3.25Å; D22-V24 VanDerWaalsContact C-N 3.34Å; V24-P30 HydrophobicContact CG1-CB 4.21Å; V24-S31 WeakPolarHBondContact CA-O 3.48Å; V24-F80 HydrophobicContact CG1-CE2 4.31Å; V24-F80 HydrophobicContact CG2-CZ 4.28Å
25T69.1Low75.9Confident46 Ų4664.9 Ų64.928%0.28236%0.362SS..EExtended strand (participates in β ladder)trans-88.8131172.5-36.20000109P30 S31 K33T25-P30 VanDerWaalsContact O-CA 3.27Å; T25-P30 WeakPolarHBondContact O-CA 3.21Å; T25-S31 PolarHBondContact N-O 3.49Å; T25-S31 PolarHBondContact O-N 3.36Å; T25-K33 WeakPolarHBondContact OG1-CG 3.47Å
26K65.8Low75.6Confident171 Ų17165 Ų6574%0.74336%0.362SS*.  trans-89.7-7.9-171.4-66.6-177.6179.8178.10115.1
27T56.9Low75.5Confident113 Ų11366.2 Ų66.269%0.69338%0.376SS*.SBendtrans-144.9139.3-171.634.10000112.3
28P60.8Low75.6Confident137 Ų13766.5 Ų66.589%0.8938%0.377SS*.SBendcis-81.3-12.8-5.218.1-6.5000114
29L66.2Low75.8Confident134 Ų13465.2 Ų65.270%0.70237%0.371SS*.SBendtrans-136.1144.2171.7-76.3166.1000109.7S31L29-S31 PolarHBondContact O-N 3.27Å
30P72.3Confident76.5Confident76 Ų7665 Ų6549%0.49437%0.369SS..  trans-54.5124.2173.6-23.633.6000110.8V24 T25 F80V24-P30 HydrophobicContact CG1-CB 4.21Å; T25-P30 VanDerWaalsContact O-CA 3.27Å; T25-P30 WeakPolarHBondContact O-CA 3.21Å; P30-F80 HydrophobicContact CB-CD2 4.24Å; P30-F80 HydrophobicContact CB-CE2 4.2Å; P30-F80 VanDerWaalsContact O-CD2 3.27Å; P30-F80 WeakPolarHBondContact O-CD2 3.29Å
31S78.8Confident77.6Confident18 Ų1862 Ų6213%0.12635%0.352CS..EExtended strand (participates in β ladder)trans-151.3156.1177.767.90000111.3V24 T25 L29 F80 K82V24-S31 WeakPolarHBondContact CA-O 3.48Å; T25-S31 PolarHBondContact N-O 3.49Å; T25-S31 PolarHBondContact O-N 3.36Å; L29-S31 PolarHBondContact O-N 3.27Å; S31-F80 WeakPolarHBondContact CA-O 3.39Å; S31-K82 WeakPolarHBondContact OG-CE 3.3Å
32I82.8Confident78.7Confident2 Ų260.9 Ų60.91%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-71.9140.1-176.9-57.9177.5000110.7I17 A19 N23 C36 F80 A81 K82 L84I17-I32 HydrophobicContact CB-CD1 4.5Å; I17-I32 HydrophobicContact CD1-CD1 4.24Å; I17-I32 HydrophobicContact CG2-CD1 3.51Å; A19-I32 HydrophobicContact CB-CD1 4.13Å; A19-I32 HydrophobicContact CB-CG1 4.1Å; A19-I32 HydrophobicContact CB-CG2 4.37Å; N23-I32 CarbonylContact O-C 3.58Å; I32-C36 HydrophobicContact CG2-CB 3.55Å; I32-C36 WeakPolarHBondContact CG2-SG 3.45Å; I32-F80 HydrophobicContact CD1-CD1 3.89Å; I32-F80 HydrophobicContact CD1-CE1 3.59Å; I32-F80 HydrophobicContact CD1-CZ 4.42Å; I32-F80 HydrophobicContact CG1-CD1 3.87Å; I32-F80 HydrophobicContact CG1-CE1 3.43Å; I32-F80 VanDerWaalsContact CG1-CE1 3.43Å; I32-F80 HydrophobicContact CG1-CZ 3.81Å; I32-F80 WeakPolarHBondContact CG1-O 3.46Å; I32-F80 PolarHBondContact N-O 3.49Å; I32-F80 VanDerWaalsContact N-O 3.1Å; I32-A81 HydrophobicContact CD1-CB 4.34Å; I32-K82 WeakPolarHBondContact O-CD 3.47Å; I32-K82 PolarHBondContact O-NZ 3.49Å; I32-L84 HydrophobicContact CG2-CD1 4.43Å
33K82.9Confident79.4Confident89 Ų8957.6 Ų57.639%0.38733%0.332SS..PPolyproline II helixtrans-83.7141.3171.1-67.4-176.7-171.7164.20110.3D22 N23 T25 C36D22-K33 PolarHBondContact O-NZ 3.21Å; N23-K33 WeakPolarHBondContact O-CB 3.38Å; N23-K33 PolarHBondContact O-N 3.3Å; T25-K33 WeakPolarHBondContact OG1-CG 3.47Å; K33-C36 WeakPolarHBondContact O-CB 3.2Å
34M82.1Confident80.1Confident74 Ų7456 Ų5637%0.36532%0.323SS..SBendtrans-99.3148.1175.855-75.9-104.500110.7L84 D109M34-L84 HydrophobicContact CB-CD2 4.37Å; M34-D109 HydrophobicContact CE-CB 3.88Å; M34-D109 VanDerWaalsContact CE-OD2 3.29Å; M34-D109 WeakPolarHBondContact CE-OD2 3.35Å
35P85.9Confident80.8Confident93 Ų9360.8 Ų60.860%0.60434%0.344SS*.SBendcis-66.9145.3-12.729.3-34000111Y106 L107P35-Y106 HydrophobicContact CB-CD2 3.95Å; P35-L107 VanDerWaalsContact CA-O 3.3Å; P35-L107 WeakPolarHBondContact CA-O 3.47Å
36C90.2Very high81.5Confident2 Ų262.5 Ų62.51%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-110.5140.3177.2-175.10000110.1N18 I32 K33 L84 Y106 L107N18-C36 PolarHBondContact O-SG 2.9Å; I32-C36 HydrophobicContact CG2-CB 3.55Å; I32-C36 WeakPolarHBondContact CG2-SG 3.45Å; K33-C36 WeakPolarHBondContact O-CB 3.2Å; C36-L84 HydrophobicContact CB-CD1 4.27Å; C36-Y106 CarbonylContact O-C 3.45Å; C36-Y106 WeakPolarHBondContact O-CA 3.21Å; C36-L107 HydrophobicContact CB-CB 4.1Å; C36-L107 HydrophobicContact CB-CD1 4.36Å; C36-L107 PolarHBondContact N-O 3.3Å; C36-L107 PolarHBondContact O-N 3.11Å
37G93.1Very high82.6Confident28 Ų2856.4 Ų56.429%0.28934%0.336SS..EExtended strand (participates in β ladder)trans-73165175.700000112N18N18-G37 WeakPolarHBondContact CA-O 3.41Å; N18-G37 WeakPolarHBondContact CB-O 3.42Å; N18-G37 PolarHBondContact N-O 3.41Å
38V95.9Very high84.2Confident8 Ų854.6 Ų54.65%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-118.2164.3163.1-64.10000110.6L15 S16 L86 V105 L107 V170L15-V38 HydrophobicContact CD1-CB 4.01Å; L15-V38 HydrophobicContact CD1-CG1 4.49Å; L15-V38 HydrophobicContact CD1-CG2 4.05Å; S16-V38 CarbonylContact O-C 3.57Å; S16-V38 VanDerWaalsContact O-CA 3.24Å; S16-V38 WeakPolarHBondContact O-CA 3.47Å; S16-V38 WeakPolarHBondContact O-CB 3.32Å; V38-L86 HydrophobicContact CG1-CD1 3.9Å; V38-L86 HydrophobicContact CG2-CD1 4.32Å; V38-V105 HydrophobicContact CG2-CB 4.02Å; V38-V105 HydrophobicContact CG2-CG1 3.77Å; V38-V105 WeakPolarHBondContact CG2-O 3.38Å; V38-L107 HydrophobicContact CG1-CD1 3.77Å; V38-L107 HydrophobicContact CG1-CD2 4.27Å; V38-L107 HydrophobicContact CG1-CG 3.7Å; V38-V170 HydrophobicContact CG2-CB 4.13Å; V38-V170 HydrophobicContact CG2-CG1 4.11Å
39S96.1Very high85.6Confident0 Ų050.2 Ų50.20%029%0.29CS..EExtended strand (participates in β ladder)trans-146.4161.4176.456.50000110.7S16 G41 E167 Y168S16-S39 WeakPolarHBondContact CB-O 3.26Å; S16-S39 PolarHBondContact N-O 3.33Å; S16-S39 PolarHBondContact O-N 3.37Å; S39-G41 PolarHBondContact O-N 3.42Å; S39-E167 WeakPolarHBondContact CB-OE2 3.25Å; S39-E167 VanDerWaalsContact OG-CD 3.27Å; S39-E167 PolarHBondContact OG-OE2 3.47Å; S39-Y168 WeakPolarHBondContact CA-O 3.49Å
40G95.6Very high86.9Confident0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-86.491.4166.600000108.7V14 E167 Y168 V170V14-G40 CarbonylContact O-C 3.47Å; G40-E167 WeakPolarHBondContact O-CB 3.26Å; G40-Y168 PolarHBondContact N-O 3.37Å; G40-Y168 WeakPolarHBondContact O-CD2 3.47Å; G40-Y168 PolarHBondContact O-N 2.87Å; G40-V170 VanDerWaalsContact N-CG2 3.34Å
41G92.8Very high87.9Confident0 Ų041.9 Ų41.90%025%0.247CC..EExtended strand (participates in β ladder)trans-63.8135.2177.700000110.8S13 V14 S39 E167S13-G41 CarbonylContact C-O 3.53Å; S13-G41 WeakPolarHBondContact CA-O 3.42Å; V14-G41 PolarHBondContact N-O 3.5Å; V14-G41 PolarHBondContact O-N 3.38Å; S39-G41 PolarHBondContact O-N 3.42Å; G41-E167 WeakPolarHBondContact CA-OE1 3.23Å
42K87.9Confident88.7Confident80 Ų8042.2 Ų42.235%0.34825%0.246SC..EExtended strand (participates in β ladder)trans-76.3140.1174-66.1-172.4170.9-125.80110.4E11 R166 Y168E11-K42 IonicContact OE2-NZ 2.66Å; E11-K42 PolarHBondContact OE2-NZ 3.08Å; K42-R166 VanDerWaalsContact CD-O 3.22Å; K42-R166 WeakPolarHBondContact CD-O 3.4Å; K42-R166 WeakPolarHBondContact CE-O 3.47Å; K42-R166 WeakPolarHBondContact CG-O 3.49Å; K42-Y168 VanDerWaalsContact CE-CZ 3.47Å; K42-Y168 VanDerWaalsContact CE-OH 3.25Å; K42-Y168 WeakPolarHBondContact CE-OH 3.15Å; K42-Y168 HydrophobicContact CG-CD2 4.47Å; K42-Y168 HydrophobicContact CG-CE2 3.86Å; K42-Y168 PolarHBondContact NZ-OH 2.89Å
43G79.2Confident89.3Confident45 Ų4546 Ų4646%0.46427%0.266SS..SBendtrans77.9150.4-178.500000112.3
44I78.8Confident89.9Confident26 Ų2645.6 Ų45.613%0.13327%0.267CS..  trans-103.892.3-172.9-51.2179.2000109M1 V3 H12 V14 L203 L206M1-I44 HydrophobicContact CE-CG2 3.41Å; M1-I44 VanDerWaalsContact CE-CG2 3.41Å; M1-I44 HydrophobicContact SD-CG2 4.38Å; V3-I44 HydrophobicContact CG1-CD1 3.96Å; V3-I44 HydrophobicContact CG1-CG1 4.4Å; V3-I44 HydrophobicContact CG2-CG2 4.39Å; H12-I44 HydrophobicContact CB-CD1 3.9Å; H12-I44 HydrophobicContact CB-CG1 4.1Å; V14-I44 HydrophobicContact CG2-CB 4.21Å; V14-I44 HydrophobicContact CG2-CG1 4.07Å; V14-I44 HydrophobicContact CG2-CG2 4.02Å; I44-L203 HydrophobicContact CD1-CD2 4.02Å; I44-L203 HydrophobicContact CG2-CB 4.38Å; I44-L203 HydrophobicContact CG2-CD1 3.49Å; I44-L203 VanDerWaalsContact CG2-CD1 3.49Å; I44-L203 HydrophobicContact CG2-CD2 3.43Å; I44-L203 VanDerWaalsContact CG2-CD2 3.43Å; I44-L203 HydrophobicContact CG2-CG 3.92Å; I44-L206 HydrophobicContact CD1-CB 4.34Å; I44-L206 HydrophobicContact CD1-CD1 3.74Å
45Q83Confident90.5Very high135 Ų13543.8 Ų43.863%0.63126%0.26SS*.  trans-122.3123.7177-172.3-179.4-1.100111C47 T50Q45-C47 PolarHBondContact O-N 3.12Å; Q45-T50 PolarHBondContact O-OG1 3.15Å
46S84.5Confident91Very high82 Ų8241.3 Ų41.357%0.57325%0.245SC*.  trans-72.9114.2171.656.90000110.1
47C88.1Confident91.3Very high42 Ų4242.6 Ų42.628%0.28425%0.253SS..SBendtrans-154.3177.8173.866.60000110.2Q45 R49 T50 A51Q45-C47 PolarHBondContact O-N 3.12Å; C47-R49 PolarHBondContact O-N 3.24Å; C47-R49 VanDerWaalsContact O-N 3.08Å; C47-R49 VanDerWaalsContact SG-CB 3.56Å; C47-T50 PolarHBondContact N-OG1 3.27Å; C47-T50 PolarHBondContact O-N 2.95Å; C47-T50 PolarHBondContact O-OG1 3.2Å; C47-A51 WeakPolarHBondContact O-CB 3.39Å; C47-A51 PolarHBondContact O-N 2.8Å; C47-A51 VanDerWaalsContact O-N 3.1Å
48V90.3Very high91.3Very high75 Ų7545.2 Ų45.246%0.45526%0.26SS..THydrogen-bonded Turntrans-53.5-32.1176.9175.70000112.2T50 F80 A81V48-T50 VanDerWaalsContact C-N 3.3Å; V48-T50 PolarHBondContact O-N 3.18Å; V48-F80 HydrophobicContact CG1-CD1 4.49Å; V48-A81 HydrophobicContact CG1-CB 4.08Å
49R91.9Very high91.1Very high45 Ų4548.3 Ų48.317%0.1729%0.294CS..THydrogen-bonded Turntrans-67.7-28.1180-161.5172.490.6-110.312.7113.4S16 I17 C47 E167S16-R49 CarbonylContact C-O 3.6Å; S16-R49 WeakPolarHBondContact CA-O 3.45Å; I17-R49 HydrophobicContact CB-CG 4Å; I17-R49 WeakPolarHBondContact CG1-O 3.48Å; I17-R49 PolarHBondContact N-O 2.66Å; I17-R49 WeakPolarHBondContact O-CD 3.44Å; I17-R49 WeakPolarHBondContact O-CG 3.32Å; C47-R49 PolarHBondContact O-N 3.24Å; C47-R49 VanDerWaalsContact O-N 3.08Å; C47-R49 VanDerWaalsContact SG-CB 3.56Å; R49-E167 IonicContact CZ-OE1 2.79Å; R49-E167 IonicContact NE-OE1 3.82Å; R49-E167 IonicContact NH2-OE1 2.9Å; R49-E167 PolarHBondContact NH2-OE1 3.33Å
50T93.6Very high91Very high4 Ų450 Ų503%0.02531%0.306CS..THydrogen-bonded Turntrans-114.11.3-171.554.80000112.7M1 V14 S16 Q45 C47 V48M1-T50 WeakPolarHBondContact CA-O 3.42Å; V14-T50 HydrophobicContact CB-CG2 4.3Å; V14-T50 HydrophobicContact CG1-CG2 3.55Å; S16-T50 WeakPolarHBondContact OG-CG2 3.45Å; Q45-T50 PolarHBondContact O-OG1 3.15Å; C47-T50 PolarHBondContact N-OG1 3.27Å; C47-T50 PolarHBondContact O-N 2.95Å; C47-T50 PolarHBondContact O-OG1 3.2Å; V48-T50 VanDerWaalsContact C-N 3.3Å; V48-T50 PolarHBondContact O-N 3.18Å
51A93.3Very high90.9Very high32 Ų3254.7 Ų54.726%0.26434%0.336SS..  trans-91.4121.8179.900000111.2C47 T77C47-A51 WeakPolarHBondContact O-CB 3.39Å; C47-A51 PolarHBondContact O-N 2.8Å; C47-A51 VanDerWaalsContact O-N 3.1Å; A51-T77 HydrophobicContact CB-CG2 3.71Å
52F95.1Very high90.8Very high24 Ų2464.3 Ų64.311%0.10538%0.381CS..EExtended strand (participates in β ladder)trans-128.8145.4176.1-67.8-96.9000109.6L15 I17 L74 K75 T76 L107L15-F52 HydrophobicContact CB-CE2 4.44Å; L15-F52 HydrophobicContact CD2-CE1 4.34Å; L15-F52 HydrophobicContact CD2-CE2 4.02Å; L15-F52 HydrophobicContact CD2-CZ 3.92Å; L15-F52 HydrophobicContact CG-CE2 3.99Å; L15-F52 HydrophobicContact CG-CZ 3.99Å; I17-F52 HydrophobicContact CG1-CZ 4.33Å; F52-L74 HydrophobicContact CB-CD2 4.22Å; F52-L74 HydrophobicContact CD1-CB 4.38Å; F52-K75 CarbonylContact C-O 3.56Å; F52-K75 VanDerWaalsContact CA-O 3.26Å; F52-K75 WeakPolarHBondContact CA-O 3.45Å; F52-T76 HydrophobicContact CD1-CG2 4.29Å; F52-T76 HydrophobicContact CE1-CG2 3.89Å; F52-L107 HydrophobicContact CE1-CD2 4.09Å
53I95.1Very high90.9Very high83 Ų8364.3 Ų64.343%0.42640%0.404SS..EExtended strand (participates in β ladder)trans-108.5128.5179-56.7172.7000107.4T55 K75 T77I53-T55 PolarHBondContact O-N 2.88Å; I53-K75 PolarHBondContact N-O 3.33Å; I53-K75 PolarHBondContact O-N 2.78Å; I53-T77 HydrophobicContact CD1-CG2 4.48Å
54I95.5Very high91.6Very high80 Ų8064.9 Ų64.941%0.4140%0.4SS..EExtended strand (participates in β ladder)trans-78120.8172.3-64.3176.2000107.3L66 F72 L74I54-L66 HydrophobicContact CD1-CD2 3.93Å; I54-L66 HydrophobicContact CG2-CD1 4.44Å; I54-L66 HydrophobicContact CG2-CD2 4.26Å; I54-F72 HydrophobicContact CB-CD2 4.39Å; I54-F72 HydrophobicContact CG1-CD2 4.37Å; I54-F72 HydrophobicContact CG1-CE2 4.23Å; I54-F72 HydrophobicContact CG2-CB 4.16Å; I54-F72 HydrophobicContact CG2-CD2 3.69Å; I54-F72 HydrophobicContact CG2-CE2 4.32Å; I54-F72 HydrophobicContact CG2-CG 4.1Å; I54-L74 HydrophobicContact CG1-CD2 4.2Å
55T94.9Very high92.3Very high35 Ų3567.5 Ų67.522%0.21542%0.418CS..EExtended strand (participates in β ladder)trans-116.4132.2-178-52.20000109.5I53 A73 K75I53-T55 PolarHBondContact O-N 2.88Å; T55-A73 PolarHBondContact N-O 3.13Å; T55-A73 PolarHBondContact O-N 3.47Å; T55-K75 WeakPolarHBondContact OG1-CB 3.18Å
56S96.4Very high92.9Very high42 Ų4262.3 Ų62.329%0.29439%0.394SS..EExtended strand (participates in β ladder)trans-61.9140.2174.1169.50000111.5D58 G59 S60S56-D58 PolarHBondContact OG-OD1 2.82Å; S56-G59 PolarHBondContact OG-N 2.91Å; S56-S60 VanDerWaalsContact CB-O 3.25Å; S56-S60 WeakPolarHBondContact CB-O 3.44Å; S56-S60 PolarHBondContact OG-N 2.81Å; S56-S60 PolarHBondContact OG-O 2.92Å
57V96.8Very high93.5Very high28 Ų2861.4 Ų61.417%0.1738%0.381CS..SBendtrans-123.6-4.5171.5-56.60000112.6S71 A73 L111 W116V57-S71 WeakPolarHBondContact CG2-O 3.25Å; V57-A73 HydrophobicContact CG1-CB 3.71Å; V57-L111 HydrophobicContact CG1-CD1 4Å; V57-L111 HydrophobicContact CG1-CD2 4.49Å; V57-W116 HydrophobicContact CB-CD2 4.43Å; V57-W116 HydrophobicContact CB-CZ2 4.27Å; V57-W116 HydrophobicContact CG2-CD2 3.96Å; V57-W116 HydrophobicContact CG2-CE3 4.49Å; V57-W116 HydrophobicContact CG2-CG 4.12Å; V57-W116 HydrophobicContact CG2-CZ2 4.41Å
58D92.8Very high94Very high84 Ų8460 Ų6045%0.44937%0.37SS..SBendtrans-104.21-177.562.75.2000112.7S56 S60 Q70S56-D58 PolarHBondContact OG-OD1 2.82Å; D58-S60 VanDerWaalsContact CG-OG 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.44Å; D58-S60 PolarHBondContact OD1-N 3.26Å; D58-S60 PolarHBondContact OD1-OG 3.23Å; D58-S60 PolarHBondContact OD2-OG 2.88Å; D58-Q70 WeakPolarHBondContact OD2-CG 3.35Å; D58-Q70 PolarHBondContact OD2-NE2 3.44Å
59G91.5Very high94.3Very high73 Ų7358.3 Ų58.375%0.75336%0.358SS*.SBendtrans892.8-178.200000114.3S56S56-G59 PolarHBondContact OG-N 2.91Å
60S93.5Very high94.6Very high36 Ų3657.7 Ų57.725%0.25236%0.357SS..PPolyproline II helixtrans-57.4141.1171.8-60.40000111.3S56 D58 Q70S56-S60 VanDerWaalsContact CB-O 3.25Å; S56-S60 WeakPolarHBondContact CB-O 3.44Å; S56-S60 PolarHBondContact OG-N 2.81Å; S56-S60 PolarHBondContact OG-O 2.92Å; D58-S60 VanDerWaalsContact CG-OG 3.25Å; D58-S60 WeakPolarHBondContact OD1-CB 3.44Å; D58-S60 PolarHBondContact OD1-N 3.26Å; D58-S60 PolarHBondContact OD1-OG 3.23Å; D58-S60 PolarHBondContact OD2-OG 2.88Å; S60-Q70 PolarHBondContact OG-NE2 2.89Å
61P93.4Very high94.8Very high97 Ų9759.2 Ų59.263%0.6337%0.368SS*.PPolyproline II helixtrans-66.6153.2-17827.3-33.9000112S64P61-S64 VanDerWaalsContact O-CB 3.25Å; P61-S64 WeakPolarHBondContact O-CB 3.46Å; P61-S64 PolarHBondContact O-N 3.32Å; P61-S64 VanDerWaalsContact O-N 3.16Å; P61-S64 PolarHBondContact O-OG 3.14Å
62E90.3Very high95Very high203 Ų20357.8 Ų57.895%0.94936%0.356SS*.THydrogen-bonded Turntrans-60.3137.9173.5-171.4172.3-17700110.8S64E62-S64 VanDerWaalsContact C-N 3.31Å
63G90.3Very high95.2Very high80 Ų8056.7 Ų56.783%0.82535%0.351SS*.THydrogen-bonded Turntrans83.20.1-174.800000114.8
64S93.5Very high95.3Very high56 Ų5652.8 Ų52.839%0.39233%0.331SS..PPolyproline II helixtrans-63.5149.7169.254.80000112P61 E62P61-S64 VanDerWaalsContact O-CB 3.25Å; P61-S64 WeakPolarHBondContact O-CB 3.46Å; P61-S64 PolarHBondContact O-N 3.32Å; P61-S64 VanDerWaalsContact O-N 3.16Å; P61-S64 PolarHBondContact O-OG 3.14Å; E62-S64 VanDerWaalsContact C-N 3.31Å
65T94.8Very high95.3Very high82 Ų8251.8 Ų51.850%0.50332%0.324SS..PPolyproline II helixtrans-72.2134.7175.4-60.50000109.6H67 P134T65-H67 PolarHBondContact O-CE1 3.33Å; T65-H67 PolarHBondContact O-ND1 2.93Å; T65-P134 HydrophobicContact CG2-CB 3.79Å; T65-P134 HydrophobicContact CG2-CG 4.33Å
66L95.3Very high95.4Very high26 Ų2650.1 Ų50.114%0.13631%0.314CS..PPolyproline II helixtrans-76.9131.6172.8-177.967.7000109.8I54 Q70 F72 I119 V135I54-L66 HydrophobicContact CD1-CD2 3.93Å; I54-L66 HydrophobicContact CG2-CD1 4.44Å; I54-L66 HydrophobicContact CG2-CD2 4.26Å; L66-Q70 HydrophobicContact CD1-CB 4.26Å; L66-Q70 HydrophobicContact CD1-CG 4.46Å; L66-F72 HydrophobicContact CD1-CB 4.15Å; L66-F72 HydrophobicContact CD1-CD1 3.86Å; L66-F72 HydrophobicContact CD1-CG 4.12Å; L66-F72 HydrophobicContact CD2-CD1 4.23Å; L66-F72 HydrophobicContact CD2-CE1 4.2Å; L66-F72 HydrophobicContact CD2-CZ 4.46Å; L66-I119 HydrophobicContact CD2-CG1 3.81Å; L66-V135 HydrophobicContact CD2-CG2 4.38Å; L66-V135 HydrophobicContact CG-CG2 4.17Å; L66-V135 PolarHBondContact O-N 2.82Å
67H97.6Very high95.2Very high62 Ų6249.7 Ų49.729%0.28731%0.309SS..BIsolated β-bridgetrans-108.3157.1176.7-58.482.2000111.7T65 Q70 G132 L133T65-H67 PolarHBondContact O-CE1 3.33Å; T65-H67 PolarHBondContact O-ND1 2.93Å; H67-Q70 HydrophobicContact CB-CB 4.38Å; H67-Q70 PolarHBondContact ND1-OE1 2.96Å; H67-Q70 WeakPolarHBondContact O-CB 3.22Å; H67-Q70 PolarHBondContact O-N 2.79Å; H67-G132 PolarHBondContact CD2-O 2.76Å; H67-L133 CarbonylContact C-O 3.59Å; H67-L133 WeakPolarHBondContact CA-O 3.42Å; H67-L133 WeakPolarHBondContact CB-O 3.43Å
68F98.2Very high94.9Very high12 Ų1253.1 Ų53.15%0.05333%0.334CS..THydrogen-bonded Turntrans-59.4143173-76.6-75000111.1Q70 I119 H121 S130 G132 L133 V135 V141F68-Q70 PolarHBondContact O-N 2.78Å; F68-I119 HydrophobicContact CD1-CB 4.45Å; F68-I119 HydrophobicContact CD1-CG2 3.84Å; F68-I119 HydrophobicContact CE1-CG2 3.72Å; F68-H121 HydrophobicContact CD1-CB 4.5Å; F68-H121 HydrophobicContact CE1-CB 4.2Å; F68-S130 WeakPolarHBondContact CB-O 3.43Å; F68-G132 PolarHBondContact O-N 2.89Å; F68-L133 HydrophobicContact CD2-CB 4.45Å; F68-L133 WeakPolarHBondContact CD2-O 3.41Å; F68-L133 PolarHBondContact N-O 2.83Å; F68-V135 HydrophobicContact CD1-CG2 4.08Å; F68-V135 HydrophobicContact CD2-CG2 4.19Å; F68-V135 HydrophobicContact CE1-CG1 4.47Å; F68-V135 HydrophobicContact CE1-CG2 4.28Å; F68-V135 HydrophobicContact CE2-CG2 4.38Å; F68-V135 HydrophobicContact CG-CG2 4.04Å; F68-V135 HydrophobicContact CZ-CG1 4.37Å; F68-V135 HydrophobicContact CZ-CG2 4.43Å; F68-V141 HydrophobicContact CE1-CG1 4.18Å; F68-V141 HydrophobicContact CZ-CG1 4.44Å
69D97.1Very high94.7Very high40 Ų4052 Ų5221%0.21434%0.343CS..THydrogen-bonded Turntrans59.13-175.1-72.7-60.6000116.2K118 I119D69-K118 WeakPolarHBondContact OD1-CD 3.48Å; D69-K118 WeakPolarHBondContact OD1-CE 3.5Å; D69-K118 IonicContact OD1-NZ 3.69Å; D69-K118 PolarHBondContact OD1-NZ 2.84Å; D69-I119 PolarHBondContact N-O 2.87Å
70Q97.3Very high94.3Very high33 Ų3352.1 Ų52.115%0.15432%0.323CS..  trans-68.5133.3168.1-169.9-179.61.800110.6D58 S60 L66 H67 F68 K118D58-Q70 WeakPolarHBondContact OD2-CG 3.35Å; D58-Q70 PolarHBondContact OD2-NE2 3.44Å; S60-Q70 PolarHBondContact OG-NE2 2.89Å; L66-Q70 HydrophobicContact CD1-CB 4.26Å; L66-Q70 HydrophobicContact CD1-CG 4.46Å; H67-Q70 HydrophobicContact CB-CB 4.38Å; H67-Q70 PolarHBondContact ND1-OE1 2.96Å; H67-Q70 WeakPolarHBondContact O-CB 3.22Å; H67-Q70 PolarHBondContact O-N 2.79Å; F68-Q70 PolarHBondContact O-N 2.78Å; Q70-K118 WeakPolarHBondContact O-CB 3.34Å
71S97.9Very high94Very high35 Ų3550.4 Ų50.425%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-78.3136.8175.5-670000111.2V57 W117 C146V57-S71 WeakPolarHBondContact CG2-O 3.25Å; S71-W117 CarbonylContact C-O 3.45Å; S71-W117 WeakPolarHBondContact CA-O 3.49Å; S71-C146 PolarHBondContact OG-SG 2.94Å
72F98.1Very high93.9Very high3 Ų349.6 Ų49.61%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-148.8174.9177.171.3-80.7000110.5I54 L66 L74 W116 W117 I119I54-F72 HydrophobicContact CB-CD2 4.39Å; I54-F72 HydrophobicContact CG1-CD2 4.37Å; I54-F72 HydrophobicContact CG1-CE2 4.23Å; I54-F72 HydrophobicContact CG2-CB 4.16Å; I54-F72 HydrophobicContact CG2-CD2 3.69Å; I54-F72 HydrophobicContact CG2-CE2 4.32Å; I54-F72 HydrophobicContact CG2-CG 4.1Å; L66-F72 HydrophobicContact CD1-CB 4.15Å; L66-F72 HydrophobicContact CD1-CD1 3.86Å; L66-F72 HydrophobicContact CD1-CG 4.12Å; L66-F72 HydrophobicContact CD2-CD1 4.23Å; L66-F72 HydrophobicContact CD2-CE1 4.2Å; L66-F72 HydrophobicContact CD2-CZ 4.46Å; F72-L74 HydrophobicContact CD2-CG 4.4Å; F72-L74 HydrophobicContact CE2-CD1 4.36Å; F72-L74 HydrophobicContact CE2-CD2 3.73Å; F72-L74 HydrophobicContact CE2-CG 3.61Å; F72-L74 HydrophobicContact CZ-CG 4.4Å; F72-W116 WeakPolarHBondContact O-CA 3.11Å; F72-W117 WeakPolarHBondContact CD1-O 3.25Å; F72-W117 HydrophobicContact CE1-CB 4.24Å; F72-W117 HydrophobicContact CZ-CB 4.17Å; F72-W117 PolarHBondContact N-O 3.03Å; F72-W117 PolarHBondContact O-N 2.74Å; F72-W117 VanDerWaalsContact O-O 3.11Å; F72-I119 HydrophobicContact CE1-CD1 3.84Å; F72-I119 HydrophobicContact CE1-CG1 3.67Å; F72-I119 HydrophobicContact CZ-CD1 3.68Å; F72-I119 HydrophobicContact CZ-CG1 3.96Å
73A98.3Very high94Very high0 Ų040.4 Ų40.40%026%0.257CS..EExtended strand (participates in β ladder)trans-119.7141.2169.500000110.9T55 V57 Y85 L111T55-A73 PolarHBondContact N-O 3.13Å; T55-A73 PolarHBondContact O-N 3.47Å; V57-A73 HydrophobicContact CG1-CB 3.71Å; A73-Y85 HydrophobicContact CB-CD1 3.9Å; A73-Y85 HydrophobicContact CB-CE1 4.42Å; A73-L111 HydrophobicContact CB-CD1 3.73Å
74L97.6Very high94.3Very high2 Ų236.7 Ų36.71%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-89.6117169.4-75.5167.9000109.1L2 F52 I54 F72 Y85 L86 V143L2-L74 HydrophobicContact CD1-CD1 4.33Å; L2-L74 HydrophobicContact CD1-CD2 3.97Å; L2-L74 HydrophobicContact CD2-CD1 3.7Å; F52-L74 HydrophobicContact CB-CD2 4.22Å; F52-L74 HydrophobicContact CD1-CB 4.38Å; I54-L74 HydrophobicContact CG1-CD2 4.2Å; F72-L74 HydrophobicContact CD2-CG 4.4Å; F72-L74 HydrophobicContact CE2-CD1 4.36Å; F72-L74 HydrophobicContact CE2-CD2 3.73Å; F72-L74 HydrophobicContact CE2-CG 3.61Å; F72-L74 HydrophobicContact CZ-CG 4.4Å; L74-Y85 CarbonylContact O-C 3.59Å; L74-Y85 WeakPolarHBondContact O-CA 3.18Å; L74-L86 HydrophobicContact CB-CB 3.83Å; L74-L86 HydrophobicContact CB-CD2 4.33Å; L74-L86 HydrophobicContact CD1-CD2 3.66Å; L74-L86 PolarHBondContact O-N 2.73Å; L74-V143 HydrophobicContact CD1-CG1 4.42Å
75K96.9Very high94.5Very high58 Ų5835.3 Ų35.325%0.25221%0.205SC..EExtended strand (participates in β ladder)trans-113.5139-177.3-167.5-177.6-175.2164.60110.5F52 I53 T55 G83 L84 Y85F52-K75 CarbonylContact C-O 3.56Å; F52-K75 VanDerWaalsContact CA-O 3.26Å; F52-K75 WeakPolarHBondContact CA-O 3.45Å; I53-K75 PolarHBondContact N-O 3.33Å; I53-K75 PolarHBondContact O-N 2.78Å; T55-K75 WeakPolarHBondContact OG1-CB 3.18Å; K75-G83 WeakPolarHBondContact CE-O 3.37Å; K75-G83 WeakPolarHBondContact CG-O 3.09Å; K75-L84 CarbonylContact C-O 3.43Å; K75-L84 VanDerWaalsContact CA-O 3.29Å; K75-L84 WeakPolarHBondContact CA-O 3.22Å; K75-Y85 HydrophobicContact CB-CD1 3.97Å; K75-Y85 HydrophobicContact CB-CE1 3.97Å; K75-Y85 HydrophobicContact CD-CD1 4.39Å; K75-Y85 HydrophobicContact CD-CE1 3.64Å; K75-Y85 HydrophobicContact CG-CD1 3.96Å; K75-Y85 HydrophobicContact CG-CE1 3.72Å; K75-Y85 PolarHBondContact NZ-OH 3.14Å; K75-Y85 VanDerWaalsContact NZ-OH 3.1Å
76T95.8Very high94.7Very high1 Ų131.4 Ų31.41%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-69.4167.3170.8630000110.9I17 F52 A81 G83 L84 L107I17-T76 HydrophobicContact CD1-CG2 3.65Å; I17-T76 HydrophobicContact CG1-CG2 3.96Å; F52-T76 HydrophobicContact CD1-CG2 4.29Å; F52-T76 HydrophobicContact CE1-CG2 3.89Å; T76-A81 PolarHBondContact OG1-O 3.27Å; T76-G83 WeakPolarHBondContact O-CA 3.49Å; T76-G83 WeakPolarHBondContact OG1-CA 3.42Å; T76-G83 PolarHBondContact OG1-N 2.91Å; T76-L84 HydrophobicContact CG2-CB 4.43Å; T76-L84 PolarHBondContact N-O 3.1Å; T76-L84 PolarHBondContact OG1-N 3.09Å; T76-L107 HydrophobicContact CG2-CD1 3.92Å; T76-L107 HydrophobicContact CG2-CD2 3.78Å; T76-L107 HydrophobicContact CG2-CG 4.46Å
77T93.5Very high94.8Very high33 Ų3330.2 Ų30.220%0.20217%0.174CC..  trans-67.7163.4174.262.70000111.9A51 I53 A81 K82 G83A51-T77 HydrophobicContact CB-CG2 3.71Å; I53-T77 HydrophobicContact CD1-CG2 4.48Å; T77-A81 CarbonylContact O-C 3.55Å; T77-A81 WeakPolarHBondContact O-CB 3.47Å; T77-K82 PolarHBondContact O-N 2.88Å; T77-G83 PolarHBondContact O-N 2.89Å
78S89.5Confident94.8Very high99 Ų9927.3 Ų27.369%0.69216%0.161SC*.SBendtrans-69.6-177.4171.960.80000112.2F80S78-F80 PolarHBondContact O-N 3.06Å
79G88Confident94.6Very high61 Ų6128.1 Ų28.163%0.62917%0.166SC*.G310 helixtrans73-122.6-179.100000111.8A81 K82G79-A81 VanDerWaalsContact C-N 3.25Å; G79-A81 PolarHBondContact O-N 2.85Å; G79-K82 PolarHBondContact O-N 3.13Å
80F84.4Confident94.2Very high75 Ų7532.5 Ų32.533%0.32918%0.183SC..G310 helixtrans-56-39.6-177.2-180-98.6000112.7V24 P30 S31 I32 V48 S78V24-F80 HydrophobicContact CG1-CE2 4.31Å; V24-F80 HydrophobicContact CG2-CZ 4.28Å; P30-F80 HydrophobicContact CB-CD2 4.24Å; P30-F80 HydrophobicContact CB-CE2 4.2Å; P30-F80 VanDerWaalsContact O-CD2 3.27Å; P30-F80 WeakPolarHBondContact O-CD2 3.29Å; S31-F80 WeakPolarHBondContact CA-O 3.39Å; I32-F80 HydrophobicContact CD1-CD1 3.89Å; I32-F80 HydrophobicContact CD1-CE1 3.59Å; I32-F80 HydrophobicContact CD1-CZ 4.42Å; I32-F80 HydrophobicContact CG1-CD1 3.87Å; I32-F80 HydrophobicContact CG1-CE1 3.43Å; I32-F80 VanDerWaalsContact CG1-CE1 3.43Å; I32-F80 HydrophobicContact CG1-CZ 3.81Å; I32-F80 WeakPolarHBondContact CG1-O 3.46Å; I32-F80 PolarHBondContact N-O 3.49Å; I32-F80 VanDerWaalsContact N-O 3.1Å; V48-F80 HydrophobicContact CG1-CD1 4.49Å; S78-F80 PolarHBondContact O-N 3.06Å
81A87.3Confident93.7Very high0 Ų034.3 Ų34.30%020%0.198CC..G310 helixtrans-87.6-2.5-175.300000114.5I17 I32 V48 T76 T77 G79 G83I17-A81 HydrophobicContact CD1-CB 3.73Å; I32-A81 HydrophobicContact CD1-CB 4.34Å; V48-A81 HydrophobicContact CG1-CB 4.08Å; T76-A81 PolarHBondContact OG1-O 3.27Å; T77-A81 CarbonylContact O-C 3.55Å; T77-A81 WeakPolarHBondContact O-CB 3.47Å; G79-A81 VanDerWaalsContact C-N 3.25Å; G79-A81 PolarHBondContact O-N 2.85Å; A81-G83 PolarHBondContact O-N 2.78Å
82K90Very high93Very high81 Ų8139.5 Ų39.535%0.35221%0.212SC..THydrogen-bonded Turntrans58.86.4169-57.9178.8100.9175.50118S31 I32 T77 G79 L84S31-K82 WeakPolarHBondContact OG-CE 3.3Å; I32-K82 WeakPolarHBondContact O-CD 3.47Å; I32-K82 PolarHBondContact O-NZ 3.49Å; T77-K82 PolarHBondContact O-N 2.88Å; G79-K82 PolarHBondContact O-N 3.13Å; K82-L84 HydrophobicContact CB-CD2 4.21Å; K82-L84 HydrophobicContact CB-CG 4.28Å
83G93.9Very high91.9Very high10 Ų1049.4 Ų49.410%0.10326%0.255CS..THydrogen-bonded Turntrans65.841.3-179.700000113.8K75 T76 T77 A81K75-G83 WeakPolarHBondContact CE-O 3.37Å; K75-G83 WeakPolarHBondContact CG-O 3.09Å; T76-G83 WeakPolarHBondContact O-CA 3.49Å; T76-G83 WeakPolarHBondContact OG1-CA 3.42Å; T76-G83 PolarHBondContact OG1-N 2.91Å; T77-G83 PolarHBondContact O-N 2.89Å; A81-G83 PolarHBondContact O-N 2.78Å
84L95.8Very high90.7Very high1 Ų158.7 Ų58.71%0.00530%0.299CS..PPolyproline II helixtrans-76.7148.6177-54.6178.6000111I32 M34 C36 K75 T76 K82 L107 D108 D109I32-L84 HydrophobicContact CG2-CD1 4.43Å; M34-L84 HydrophobicContact CB-CD2 4.37Å; C36-L84 HydrophobicContact CB-CD1 4.27Å; K75-L84 CarbonylContact C-O 3.43Å; K75-L84 VanDerWaalsContact CA-O 3.29Å; K75-L84 WeakPolarHBondContact CA-O 3.22Å; T76-L84 HydrophobicContact CG2-CB 4.43Å; T76-L84 PolarHBondContact N-O 3.1Å; T76-L84 PolarHBondContact OG1-N 3.09Å; K82-L84 HydrophobicContact CB-CD2 4.21Å; K82-L84 HydrophobicContact CB-CG 4.28Å; L84-L107 HydrophobicContact CB-CB 3.87Å; L84-L107 HydrophobicContact CB-CD2 4.46Å; L84-L107 HydrophobicContact CD1-CB 3.98Å; L84-D108 CarbonylContact C-O 3.33Å; L84-D108 VanDerWaalsContact CA-O 3.25Å; L84-D108 WeakPolarHBondContact CA-O 3.19Å; L84-D108 WeakPolarHBondContact CB-O 3.08Å; L84-D109 HydrophobicContact CD2-CB 3.85Å
85Y97.8Very high90.1Very high28 Ų2861.5 Ų61.511%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-98.4132.5-178.9-57.6-82.4000111.7A73 L74 K75 T87 L107 D108 L111A73-Y85 HydrophobicContact CB-CD1 3.9Å; A73-Y85 HydrophobicContact CB-CE1 4.42Å; L74-Y85 CarbonylContact O-C 3.59Å; L74-Y85 WeakPolarHBondContact O-CA 3.18Å; K75-Y85 HydrophobicContact CB-CD1 3.97Å; K75-Y85 HydrophobicContact CB-CE1 3.97Å; K75-Y85 HydrophobicContact CD-CD1 4.39Å; K75-Y85 HydrophobicContact CD-CE1 3.64Å; K75-Y85 HydrophobicContact CG-CD1 3.96Å; K75-Y85 HydrophobicContact CG-CE1 3.72Å; K75-Y85 PolarHBondContact NZ-OH 3.14Å; K75-Y85 VanDerWaalsContact NZ-OH 3.1Å; Y85-T87 PolarHBondContact O-N 2.82Å; Y85-T87 PolarHBondContact O-OG1 2.89Å; Y85-L107 WeakPolarHBondContact O-CA 3.46Å; Y85-D108 PolarHBondContact N-O 2.93Å; Y85-D108 PolarHBondContact O-N 3.27Å; Y85-L111 HydrophobicContact CD1-CD1 3.93Å; Y85-L111 HydrophobicContact CD2-CB 4.01Å; Y85-L111 HydrophobicContact CE1-CB 4.31Å; Y85-L111 HydrophobicContact CE1-CD1 4.02Å; Y85-L111 HydrophobicContact CE1-CD2 4.49Å; Y85-L111 HydrophobicContact CE2-CB 3.71Å; Y85-L111 HydrophobicContact CG-CB 4.43Å; Y85-L111 HydrophobicContact CG-CD1 4.26Å
86L98.3Very high89.9Confident0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-62.9119.2170.6-166.974.1000109L15 V38 L74 V105 L107 S115 W117L15-L86 HydrophobicContact CD2-CD1 4.29Å; L15-L86 HydrophobicContact CD2-CD2 4Å; V38-L86 HydrophobicContact CG1-CD1 3.9Å; V38-L86 HydrophobicContact CG2-CD1 4.32Å; L74-L86 HydrophobicContact CB-CB 3.83Å; L74-L86 HydrophobicContact CB-CD2 4.33Å; L74-L86 HydrophobicContact CD1-CD2 3.66Å; L74-L86 PolarHBondContact O-N 2.73Å; L86-V105 HydrophobicContact CD1-CG1 3.43Å; L86-V105 VanDerWaalsContact CD1-CG1 3.43Å; L86-V105 HydrophobicContact CD2-CG1 4.3Å; L86-V105 HydrophobicContact CG-CG1 3.79Å; L86-L107 HydrophobicContact CB-CD2 4.38Å; L86-L107 HydrophobicContact CD1-CD2 4.15Å; L86-S115 WeakPolarHBondContact O-CA 3.45Å; L86-W117 HydrophobicContact CD2-CZ2 3.89Å; L86-W117 HydrophobicContact CG-CZ2 4.04Å; L86-W117 PolarHBondContact O-NE1 3.15Å
87T97.8Very high89.8Confident1 Ų161 Ų611%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-134.2143.8-167-58.50000109.3Y85 Y106 L114 S115Y85-T87 PolarHBondContact O-N 2.82Å; Y85-T87 PolarHBondContact O-OG1 2.89Å; T87-Y106 HydrophobicContact CG2-CE1 4.28Å; T87-Y106 HydrophobicContact CG2-CE2 3.9Å; T87-Y106 WeakPolarHBondContact CG2-OH 3.46Å; T87-Y106 PolarHBondContact N-O 2.8Å; T87-Y106 PolarHBondContact O-N 2.78Å; T87-L114 WeakPolarHBondContact CA-O 3.45Å; T87-L114 HydrophobicContact CG2-CB 3.73Å; T87-L114 WeakPolarHBondContact CG2-O 3.45Å; T87-S115 PolarHBondContact OG1-OG 3.4Å
88S97.3Very high89.6Confident0 Ų068.2 Ų68.20%034%0.343CS..EExtended strand (participates in β ladder)trans-144.2150.9175.3-166.60000110.8Q103 D104 L114 H145 A172S88-Q103 WeakPolarHBondContact OG-CG 3.2Å; S88-Q103 PolarHBondContact OG-NE2 3.42Å; S88-D104 WeakPolarHBondContact CB-O 3.45Å; S88-D104 PolarHBondContact OG-O 2.84Å; S88-L114 PolarHBondContact N-O 3.46Å; S88-L114 WeakPolarHBondContact O-CB 3.48Å; S88-H145 PolarHBondContact O-CE1 2.82Å; S88-H145 PolarHBondContact O-NE2 3.19Å; S88-A172 WeakPolarHBondContact OG-CB 3.37Å
89D93.6Very high89.9Confident29 Ų2969.1 Ų69.116%0.15533%0.334CS..  trans-146.5151.9-178.6-175.318.5000109.3R92 K95 Q103 L114D89-R92 IonicContact OD2-CZ 3.35Å; D89-R92 IonicContact OD2-NE 3.6Å; D89-R92 IonicContact OD2-NH2 2.93Å; D89-R92 PolarHBondContact OD2-NH2 3Å; D89-K95 IonicContact OD2-NZ 3.96Å; D89-Q103 WeakPolarHBondContact O-CG 3.26Å; D89-L114 HydrophobicContact CB-CD1 4.23Å; D89-L114 HydrophobicContact CB-CD2 4.45Å
90K89.8Confident90.2Very high132 Ų13267.8 Ų67.857%0.57432%0.315SS*.  trans-51.1139.1-178.9-69.5179.4-178.4166.10110.2R92 T148K90-R92 PolarHBondContact O-N 2.89Å; K90-T148 HydrophobicContact CG-CG2 3.61Å
91P85.3Confident90.6Very high72 Ų7266.1 Ų66.147%0.46832%0.319SS..  trans-60.3128.2-178.125-32.4000109.8K95 C96P91-K95 WeakPolarHBondContact CA-O 3.45Å; P91-C96 HydrophobicContact CB-CB 4.29Å
92R83.7Confident91Very high143 Ų14368.3 Ų68.354%0.5433%0.331SS..BIsolated β-bridgetrans-116.6161.7170.8-70.6178.7-81.2174.2-5.9108.1D89 K90 Q94 K95D89-R92 IonicContact OD2-CZ 3.35Å; D89-R92 IonicContact OD2-NE 3.6Å; D89-R92 IonicContact OD2-NH2 2.93Å; D89-R92 PolarHBondContact OD2-NH2 3Å; K90-R92 PolarHBondContact O-N 2.89Å; R92-Q94 PolarHBondContact O-N 3.04Å; R92-K95 HydrophobicContact CB-CB 4.31Å; R92-K95 PolarHBondContact N-O 3.47Å; R92-K95 CarbonylContact O-C 3.47Å; R92-K95 PolarHBondContact O-N 3.18Å
93F74.4Confident91.3Very high212 Ų21265.1 Ų65.193%0.9332%0.317SS*.THydrogen-bonded Turntrans-51.9-28.8-174.9-151.8-89.1000114.2
94Q75.1Confident91.4Very high195 Ų19566.7 Ų66.791%0.91132%0.323SS*.THydrogen-bonded Turntrans-107.3-3.9178-63.6179.8-47.800114.2R92R92-Q94 PolarHBondContact O-N 3.04Å
95K84.8Confident91.5Very high61 Ų6166.7 Ų66.727%0.26532%0.323SS..BIsolated β-bridgetrans-134.683.4-171.8-163.2177.5-178-174.90109.6D89 P91 R92 Y106D89-K95 IonicContact OD2-NZ 3.96Å; P91-K95 WeakPolarHBondContact CA-O 3.45Å; R92-K95 HydrophobicContact CB-CB 4.31Å; R92-K95 PolarHBondContact N-O 3.47Å; R92-K95 CarbonylContact O-C 3.47Å; R92-K95 PolarHBondContact O-N 3.18Å; K95-Y106 PolarHBondContact NZ-OH 3Å
96C92Very high91.4Very high47 Ų4766.1 Ų66.132%0.31832%0.321SS..SBendtrans-149164.3176.862.20000110.2P91 G101 L102P91-C96 HydrophobicContact CB-CB 4.29Å; C96-G101 WeakPolarHBondContact CB-O 3.22Å; C96-L102 CarbonylContact C-O 3.56Å; C96-L102 WeakPolarHBondContact CA-O 3.25Å; C96-L102 WeakPolarHBondContact CB-O 3.47Å
97A92.6Very high91.3Very high1 Ų166.1 Ų66.11%0.00832%0.321CS..  trans-62.5135.2-18000000110.7K99 G101 L102 E169 V171A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 3.18Å; A97-G101 VanDerWaalsContact O-CA 3.25Å; A97-G101 WeakPolarHBondContact O-CA 3.46Å; A97-G101 PolarHBondContact O-N 2.86Å; A97-L102 PolarHBondContact N-O 2.85Å; A97-E169 HydrophobicContact CB-CG 4.32Å; A97-E169 WeakPolarHBondContact CB-OE1 3.33Å; A97-V171 HydrophobicContact CB-CG1 3.66Å
98K90.6Very high91.2Very high184 Ų18468 Ų6880%0.833%0.331SS*.THydrogen-bonded Turntrans-63.1-29.1-165.4-67-178.3-178.9177.80114.8E169K98-E169 PolarHBondContact N-OE1 2.72Å
99K94.4Very high91Very high118 Ų11871.8 Ų71.851%0.51335%0.351SS..THydrogen-bonded Turntrans-106.8-45.4-174.6-63.8-63.8-173.7177.10112.2A97 K158 L159 L160 E169A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 3.18Å; K99-K158 HydrophobicContact CB-CB 4.04Å; K99-K158 HydrophobicContact CB-CD 4.45Å; K99-L159 VanDerWaalsContact CE-O 3.25Å; K99-L159 WeakPolarHBondContact CE-O 3.37Å; K99-L160 HydrophobicContact CG-CD2 3.69Å; K99-E169 WeakPolarHBondContact CB-OE1 3.37Å; K99-E169 PolarHBondContact N-OE1 3.5Å
100S94.4Very high91Very high34 Ų3474.1 Ų74.124%0.23837%0.367CS..THydrogen-bonded Turntrans-88.2-23.5-17958.20000114.1L102 E169S100-L102 PolarHBondContact O-N 2.91Å; S100-L102 PolarHBondContact OG-N 2.87Å; S100-E169 WeakPolarHBondContact CB-OE2 3.35Å; S100-E169 PolarHBondContact N-OE2 2.85Å; S100-E169 PolarHBondContact OG-OE2 2.85Å
101G93.7Very high91.3Very high40 Ų4071.4 Ų71.441%0.41236%0.358SS..  trans72.88.4-17100000114.1C96 A97C96-G101 WeakPolarHBondContact CB-O 3.22Å; A97-G101 VanDerWaalsContact O-CA 3.25Å; A97-G101 WeakPolarHBondContact O-CA 3.46Å; A97-G101 PolarHBondContact O-N 2.86Å
102L95.9Very high91.8Very high46 Ų4669.8 Ų69.824%0.24135%0.349CS..SBendtrans-77.5-176.8178.2-65174.5000112.1C96 A97 S100 D104 L155 V171 H173 F175C96-L102 CarbonylContact C-O 3.56Å; C96-L102 WeakPolarHBondContact CA-O 3.25Å; C96-L102 WeakPolarHBondContact CB-O 3.47Å; A97-L102 PolarHBondContact N-O 2.85Å; S100-L102 PolarHBondContact O-N 2.91Å; S100-L102 PolarHBondContact OG-N 2.87Å; L102-D104 PolarHBondContact O-N 3.26Å; L102-L155 HydrophobicContact CD1-CD1 4.14Å; L102-V171 HydrophobicContact CB-CB 4.25Å; L102-V171 HydrophobicContact CB-CG1 4.17Å; L102-V171 HydrophobicContact CD1-CG2 4.1Å; L102-H173 HydrophobicContact CD1-CB 4.22Å; L102-F175 HydrophobicContact CD1-CZ 3.79Å
103Q97.1Very high92.4Very high13 Ų1365.9 Ų65.96%0.06134%0.341CS..  trans-60.3117.5175.6-162.4-178.1-38.700110.4S88 D89 T148 V171 A172S88-Q103 WeakPolarHBondContact OG-CG 3.2Å; S88-Q103 PolarHBondContact OG-NE2 3.42Å; D89-Q103 WeakPolarHBondContact O-CG 3.26Å; Q103-T148 PolarHBondContact NE2-OG1 3.01Å; Q103-T148 PolarHBondContact OE1-OG1 2.81Å; Q103-V171 WeakPolarHBondContact O-CA 3.35Å; Q103-V171 WeakPolarHBondContact O-CB 3.48Å; Q103-A172 HydrophobicContact CB-CB 4.14Å; Q103-A172 WeakPolarHBondContact CB-O 3.49Å; Q103-A172 HydrophobicContact CG-CB 4.12Å; Q103-A172 PolarHBondContact O-N 2.67Å
104D95.6Very high93.5Very high44 Ų4458 Ų5824%0.23531%0.308CS..BIsolated β-bridgetrans-72.9151.1-177-164.421.9000111.8S88 L102S88-D104 WeakPolarHBondContact CB-O 3.45Å; S88-D104 PolarHBondContact OG-O 2.84Å; L102-D104 PolarHBondContact O-N 3.26Å
105V97.2Very high94.6Very high1 Ų148.8 Ų48.81%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-123127.3172.9-178.70000107.7V38 L86 W117 L152 V170 A172V38-V105 HydrophobicContact CG2-CB 4.02Å; V38-V105 HydrophobicContact CG2-CG1 3.77Å; V38-V105 WeakPolarHBondContact CG2-O 3.38Å; L86-V105 HydrophobicContact CD1-CG1 3.43Å; L86-V105 VanDerWaalsContact CD1-CG1 3.43Å; L86-V105 HydrophobicContact CD2-CG1 4.3Å; L86-V105 HydrophobicContact CG-CG1 3.79Å; V105-W117 HydrophobicContact CG1-CZ2 4.38Å; V105-W117 HydrophobicContact CG2-CH2 4.33Å; V105-L152 HydrophobicContact CG1-CD1 4.13Å; V105-L152 HydrophobicContact CG2-CD1 3.99Å; V105-V170 HydrophobicContact CB-CG1 4.32Å; V105-A172 HydrophobicContact CG2-CB 3.91Å
106Y95.8Very high95.2Very high15 Ų1549.5 Ų49.56%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-146.1173-174.263.4-85.7000110.6P35 C36 T87 K95 D108P35-Y106 HydrophobicContact CB-CD2 3.95Å; C36-Y106 CarbonylContact O-C 3.45Å; C36-Y106 WeakPolarHBondContact O-CA 3.21Å; T87-Y106 HydrophobicContact CG2-CE1 4.28Å; T87-Y106 HydrophobicContact CG2-CE2 3.9Å; T87-Y106 WeakPolarHBondContact CG2-OH 3.46Å; T87-Y106 PolarHBondContact N-O 2.8Å; T87-Y106 PolarHBondContact O-N 2.78Å; K95-Y106 PolarHBondContact NZ-OH 3Å; Y106-D108 HydrophobicContact CD2-CB 4.32Å; Y106-D108 HydrophobicContact CE2-CB 3.93Å
107L96.5Very high95.5Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-110129179.2-68166000109.3I17 P35 C36 V38 F52 T76 L84 Y85 L86I17-L107 HydrophobicContact CB-CD1 4.17Å; I17-L107 HydrophobicContact CG1-CD1 3.82Å; I17-L107 HydrophobicContact CG2-CD1 3.72Å; P35-L107 VanDerWaalsContact CA-O 3.3Å; P35-L107 WeakPolarHBondContact CA-O 3.47Å; C36-L107 HydrophobicContact CB-CB 4.1Å; C36-L107 HydrophobicContact CB-CD1 4.36Å; C36-L107 PolarHBondContact N-O 3.3Å; C36-L107 PolarHBondContact O-N 3.11Å; V38-L107 HydrophobicContact CG1-CD1 3.77Å; V38-L107 HydrophobicContact CG1-CD2 4.27Å; V38-L107 HydrophobicContact CG1-CG 3.7Å; F52-L107 HydrophobicContact CE1-CD2 4.09Å; T76-L107 HydrophobicContact CG2-CD1 3.92Å; T76-L107 HydrophobicContact CG2-CD2 3.78Å; T76-L107 HydrophobicContact CG2-CG 4.46Å; L84-L107 HydrophobicContact CB-CB 3.87Å; L84-L107 HydrophobicContact CB-CD2 4.46Å; L84-L107 HydrophobicContact CD1-CB 3.98Å; Y85-L107 WeakPolarHBondContact O-CA 3.46Å; L86-L107 HydrophobicContact CB-CD2 4.38Å; L86-L107 HydrophobicContact CD1-CD2 4.15Å
108D94.7Very high95.8Very high40 Ų4049.4 Ų49.421%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-128.9157.2-178.3-149.8-18.4000111.2L84 Y85 Y106 T110L84-D108 CarbonylContact C-O 3.33Å; L84-D108 VanDerWaalsContact CA-O 3.25Å; L84-D108 WeakPolarHBondContact CA-O 3.19Å; L84-D108 WeakPolarHBondContact CB-O 3.08Å; Y85-D108 PolarHBondContact N-O 2.93Å; Y85-D108 PolarHBondContact O-N 3.27Å; Y106-D108 HydrophobicContact CD2-CB 4.32Å; Y106-D108 HydrophobicContact CE2-CB 3.93Å; D108-T110 VanDerWaalsContact C-N 3.33Å
109D94.2Very high96.2Very high81 Ų8140.7 Ų40.743%0.43322%0.222SC..SBendtrans-84.1-14.2178.565.84000113.3M34 L84M34-D109 HydrophobicContact CE-CB 3.88Å; M34-D109 VanDerWaalsContact CE-OD2 3.29Å; M34-D109 WeakPolarHBondContact CE-OD2 3.35Å; L84-D109 HydrophobicContact CD2-CB 3.85Å
110T93.6Very high96.3Very high78 Ų7835.5 Ų35.548%0.47920%0.2SC..SBendtrans-95.8115.1-174.8-60.40000110.3D108 S112 S115D108-T110 VanDerWaalsContact C-N 3.33Å; T110-S112 PolarHBondContact O-N 2.62Å; T110-S115 PolarHBondContact O-OG 2.84Å
111L95.9Very high96.4Very high75 Ų7535.2 Ų35.239%0.39320%0.195SC..  trans-70.3114.3166.9179.759.6000108.9V57 A73 Y85V57-L111 HydrophobicContact CG1-CD1 4Å; V57-L111 HydrophobicContact CG1-CD2 4.49Å; A73-L111 HydrophobicContact CB-CD1 3.73Å; Y85-L111 HydrophobicContact CD1-CD1 3.93Å; Y85-L111 HydrophobicContact CD2-CB 4.01Å; Y85-L111 HydrophobicContact CE1-CB 4.31Å; Y85-L111 HydrophobicContact CE1-CD1 4.02Å; Y85-L111 HydrophobicContact CE1-CD2 4.49Å; Y85-L111 HydrophobicContact CE2-CB 3.71Å; Y85-L111 HydrophobicContact CG-CB 4.43Å; Y85-L111 HydrophobicContact CG-CD1 4.26Å
112S95.8Very high96.4Very high38 Ų3836.5 Ų36.527%0.26619%0.19SC..  trans-139.8175.9176.474.20000110.4T110 L114 S115 W116T110-S112 PolarHBondContact O-N 2.62Å; S112-L114 PolarHBondContact O-N 2.87Å; S112-L114 VanDerWaalsContact O-N 3.12Å; S112-L114 PolarHBondContact OG-N 2.75Å; S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.37Å; S112-S115 PolarHBondContact O-N 3.02Å; S112-W116 PolarHBondContact O-NE1 2.89Å
113V96.1Very high96.3Very high61 Ų6136.8 Ų36.837%0.3719%0.192SC..G310 helixtrans-58.8-21.4173.6-63.90000114.1S115 W116 M147V113-S115 PolarHBondContact O-N 2.85Å; V113-W116 HydrophobicContact CG1-CD2 4.42Å; V113-W116 HydrophobicContact CG1-CE3 4.47Å; V113-W116 HydrophobicContact CG1-CH2 4.23Å; V113-W116 HydrophobicContact CG1-CZ2 4.16Å; V113-W116 HydrophobicContact CG1-CZ3 4.38Å; V113-W116 PolarHBondContact O-N 3.38Å; V113-M147 HydrophobicContact CB-CE 3.38Å; V113-M147 HydrophobicContact CB-CG 3.93Å; V113-M147 HydrophobicContact CB-SD 4.35Å; V113-M147 HydrophobicContact CG1-CE 3.7Å; V113-M147 HydrophobicContact CG2-CE 3.81Å; V113-M147 HydrophobicContact CG2-CG 4.12Å; V113-M147 HydrophobicContact CG2-SD 4.42Å; V113-M147 WeakPolarHBondContact O-CG 3.43Å
114L96.9Very high96.1Very high47 Ų4739.1 Ų39.125%0.24621%0.208CC..G310 helixtrans-75.8-9.1174.2-58.8179.8000112.8T87 S88 D89 S112 H145T87-L114 WeakPolarHBondContact CA-O 3.45Å; T87-L114 HydrophobicContact CG2-CB 3.73Å; T87-L114 WeakPolarHBondContact CG2-O 3.45Å; S88-L114 PolarHBondContact N-O 3.46Å; S88-L114 WeakPolarHBondContact O-CB 3.48Å; D89-L114 HydrophobicContact CB-CD1 4.23Å; D89-L114 HydrophobicContact CB-CD2 4.45Å; S112-L114 PolarHBondContact O-N 2.87Å; S112-L114 VanDerWaalsContact O-N 3.12Å; S112-L114 PolarHBondContact OG-N 2.75Å; L114-H145 PolarHBondContact O-NE2 2.67Å
115S97.9Very high96Very high0 Ų044.7 Ų44.70%023%0.232CC..G310 helixtrans-105.26.8178.4-43.40000111.8L86 T87 T110 S112 V113 W117L86-S115 WeakPolarHBondContact O-CA 3.45Å; T87-S115 PolarHBondContact OG1-OG 3.4Å; T110-S115 PolarHBondContact O-OG 2.84Å; S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.37Å; S112-S115 PolarHBondContact O-N 3.02Å; V113-S115 PolarHBondContact O-N 2.85Å; S115-W117 VanDerWaalsContact O-CD1 3.27Å
116W98.4Very high95.8Very high76 Ų7648.9 Ų48.929%0.28825%0.252SS..  trans-90.1127.4-178-678.6000110.4V57 F72 S112 V113 H145 C146V57-W116 HydrophobicContact CB-CD2 4.43Å; V57-W116 HydrophobicContact CB-CZ2 4.27Å; V57-W116 HydrophobicContact CG2-CD2 3.96Å; V57-W116 HydrophobicContact CG2-CE3 4.49Å; V57-W116 HydrophobicContact CG2-CG 4.12Å; V57-W116 HydrophobicContact CG2-CZ2 4.41Å; F72-W116 WeakPolarHBondContact O-CA 3.11Å; S112-W116 PolarHBondContact O-NE1 2.89Å; V113-W116 HydrophobicContact CG1-CD2 4.42Å; V113-W116 HydrophobicContact CG1-CE3 4.47Å; V113-W116 HydrophobicContact CG1-CH2 4.23Å; V113-W116 HydrophobicContact CG1-CZ2 4.16Å; V113-W116 HydrophobicContact CG1-CZ3 4.38Å; V113-W116 PolarHBondContact O-N 3.38Å; W116-H145 PolarHBondContact O-CD2 3.41Å; W116-H145 VanDerWaalsContact O-CD2 3.23Å; W116-C146 HydrophobicContact CB-CB 3.96Å; W116-C146 PolarHBondContact O-N 2.79Å
117W98.8Very high95.8Very high0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-125.7161176.2-59.182.1000109.1S71 F72 L86 V105 S115 V143 I144 H145 L152 A172S71-W117 CarbonylContact C-O 3.45Å; S71-W117 WeakPolarHBondContact CA-O 3.49Å; F72-W117 WeakPolarHBondContact CD1-O 3.25Å; F72-W117 HydrophobicContact CE1-CB 4.24Å; F72-W117 HydrophobicContact CZ-CB 4.17Å; F72-W117 PolarHBondContact N-O 3.03Å; F72-W117 PolarHBondContact O-N 2.74Å; F72-W117 VanDerWaalsContact O-O 3.11Å; L86-W117 HydrophobicContact CD2-CZ2 3.89Å; L86-W117 HydrophobicContact CG-CZ2 4.04Å; L86-W117 PolarHBondContact O-NE1 3.15Å; V105-W117 HydrophobicContact CG1-CZ2 4.38Å; V105-W117 HydrophobicContact CG2-CH2 4.33Å; S115-W117 VanDerWaalsContact O-CD1 3.27Å; W117-V143 HydrophobicContact CB-CG1 4.26Å; W117-V143 HydrophobicContact CD2-CG1 4.32Å; W117-V143 HydrophobicContact CE3-CG1 3.83Å; W117-I144 CarbonylContact C-O 3.58Å; W117-I144 VanDerWaalsContact CA-O 3.22Å; W117-I144 WeakPolarHBondContact CA-O 3.41Å; W117-H145 HydrophobicContact CD2-CB 4.32Å; W117-H145 VanDerWaalsContact CE3-CA 3.49Å; W117-H145 HydrophobicContact CE3-CB 3.78Å; W117-H145 VanDerWaalsContact CE3-N 3.32Å; W117-H145 HydrophobicContact CH2-CB 3.93Å; W117-H145 HydrophobicContact CZ2-CB 4.43Å; W117-H145 HydrophobicContact CZ3-CB 3.58Å; W117-L152 HydrophobicContact CH2-CD1 3.91Å; W117-L152 HydrophobicContact CZ3-CB 3.95Å; W117-L152 HydrophobicContact CZ3-CD1 4.19Å; W117-A172 HydrophobicContact CH2-CB 4.31Å
118K98.2Very high95.7Very high47 Ų4759 Ų5920%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-137.1155170.963.9179.4-171.61510110D69 Q70 I144D69-K118 WeakPolarHBondContact OD1-CD 3.48Å; D69-K118 WeakPolarHBondContact OD1-CE 3.5Å; D69-K118 IonicContact OD1-NZ 3.69Å; D69-K118 PolarHBondContact OD1-NZ 2.84Å; Q70-K118 WeakPolarHBondContact O-CB 3.34Å; K118-I144 HydrophobicContact CG-CB 3.95Å; K118-I144 PolarHBondContact N-O 2.91Å; K118-I144 PolarHBondContact O-N 3.48Å
119I98.3Very high95.8Very high0 Ų063 Ų630%031%0.312CS..EExtended strand (participates in β ladder)trans-94.3129.1172.1-58.2-55000108.1L66 F68 D69 F72 V135 V141 L142 V143 L190L66-I119 HydrophobicContact CD2-CG1 3.81Å; F68-I119 HydrophobicContact CD1-CB 4.45Å; F68-I119 HydrophobicContact CD1-CG2 3.84Å; F68-I119 HydrophobicContact CE1-CG2 3.72Å; D69-I119 PolarHBondContact N-O 2.87Å; F72-I119 HydrophobicContact CE1-CD1 3.84Å; F72-I119 HydrophobicContact CE1-CG1 3.67Å; F72-I119 HydrophobicContact CZ-CD1 3.68Å; F72-I119 HydrophobicContact CZ-CG1 3.96Å; I119-V135 HydrophobicContact CB-CG1 4.49Å; I119-V135 HydrophobicContact CB-CG2 3.97Å; I119-V135 HydrophobicContact CG1-CG2 4.39Å; I119-V135 HydrophobicContact CG2-CG1 3.86Å; I119-V135 HydrophobicContact CG2-CG2 3.99Å; I119-V141 HydrophobicContact CD1-CG2 4.42Å; I119-V141 HydrophobicContact CG2-CB 3.63Å; I119-V141 HydrophobicContact CG2-CG1 3.81Å; I119-V141 HydrophobicContact CG2-CG2 3.98Å; I119-L142 WeakPolarHBondContact CA-O 3.38Å; I119-V143 HydrophobicContact CD1-CB 4.43Å; I119-V143 HydrophobicContact CD1-CG1 4.35Å; I119-V143 HydrophobicContact CD1-CG2 3.87Å; I119-L190 HydrophobicContact CD1-CD1 3.96Å; I119-L190 HydrophobicContact CG1-CD1 4.11Å
120S97.6Very high95.9Very high9 Ų959.5 Ų59.56%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-118.8151170.8-165.50000109.6L142S120-L142 PolarHBondContact N-O 3.06Å; S120-L142 PolarHBondContact O-N 2.73Å
121H96.8Very high96Very high29 Ų2961.5 Ų61.513%0.13430%0.298CS..EExtended strand (participates in β ladder)trans-62.4139.7177-166.6-89.9000110.6F68 D123 R127 S130F68-H121 HydrophobicContact CD1-CB 4.5Å; F68-H121 HydrophobicContact CE1-CB 4.2Å; H121-D123 PolarHBondContact ND1-N 3.37Å; H121-D123 PolarHBondContact ND1-O 3.45Å; H121-D123 VanDerWaalsContact ND1-O 3.12Å; H121-R127 HydrophobicContact CB-CG 3.95Å; H121-R127 PolarHBondContact O-NE 3.33Å; H121-S130 WeakPolarHBondContact CB-OG 3.48Å
122F94.1Very high96Very high66 Ų6660 Ų6029%0.28930%0.301SS..SBendtrans-67.4-40.5-175.678.6-83000111.7P124 R127 K140 F187F122-P124 WeakPolarHBondContact O-CD 3.43Å; F122-R127 PolarHBondContact O-NH2 2.91Å; F122-K140 HydrophobicContact CB-CB 4.44Å; F122-K140 HydrophobicContact CB-CD 3.97Å; F122-K140 HydrophobicContact CB-CG 3.83Å; F122-K140 HydrophobicContact CD1-CB 4.09Å; F122-K140 HydrophobicContact CD1-CD 4.44Å; F122-K140 HydrophobicContact CD1-CG 4.33Å; F122-K140 WeakPolarHBondContact CD1-O 3.15Å; F122-K140 HydrophobicContact CD2-CD 3.65Å; F122-K140 HydrophobicContact CD2-CG 4.32Å; F122-K140 HydrophobicContact CE2-CD 4.3Å; F122-K140 HydrophobicContact CG-CB 4.15Å; F122-K140 HydrophobicContact CG-CD 3.73Å; F122-K140 HydrophobicContact CG-CG 3.88Å; F122-F187 HydrophobicContact CB-CD1 4.08Å; F122-F187 HydrophobicContact CB-CE1 4.01Å
123D93.3Very high96.1Very high53 Ų5362.7 Ų62.728%0.28331%0.312SS..SBendtrans-78.5119.5174.1-166.2-34000109.9H121 Q125 E126H121-D123 PolarHBondContact ND1-N 3.37Å; H121-D123 PolarHBondContact ND1-O 3.45Å; H121-D123 VanDerWaalsContact ND1-O 3.12Å; D123-Q125 PolarHBondContact O-N 3.29Å; D123-Q125 PolarHBondContact OD1-N 3.12Å; D123-E126 HydrophobicContact CB-CB 4.49Å; D123-E126 HydrophobicContact CB-CG 4.15Å; D123-E126 PolarHBondContact O-N 3.15Å
124P92.1Very high96.1Very high62 Ų6263.3 Ų63.340%0.40332%0.317SS..THydrogen-bonded Turntrans-57-29.2176.8-2433.5000115.2F122F122-P124 WeakPolarHBondContact O-CD 3.43Å
125Q93.2Very high96.1Very high160 Ų16062.2 Ų62.275%0.74831%0.312SS*.THydrogen-bonded Turntrans-72.4-37-175.4-61.7-1752900111.9D123 R127D123-Q125 PolarHBondContact O-N 3.29Å; D123-Q125 PolarHBondContact OD1-N 3.12Å; Q125-R127 VanDerWaalsContact C-N 3.35Å
126E94.8Very high95.8Very high89 Ų8964.2 Ų64.242%0.41633%0.325SS..THydrogen-bonded Turntrans-84.6-7.8-177.2-55.3-70.9132.100112.7D123 F128 E129 S130D123-E126 HydrophobicContact CB-CB 4.49Å; D123-E126 HydrophobicContact CB-CG 4.15Å; D123-E126 PolarHBondContact O-N 3.15Å; E126-F128 VanDerWaalsContact C-N 3.3Å; E126-F128 PolarHBondContact O-N 2.92Å; E126-E129 PolarHBondContact O-N 2.88Å; E126-E129 VanDerWaalsContact O-N 3.11Å; E126-S130 WeakPolarHBondContact O-CB 3.44Å; E126-S130 PolarHBondContact O-N 3.39Å; E126-S130 PolarHBondContact O-OG 3.11Å
127R94.3Very high95.3Very high58 Ų5862.9 Ų62.922%0.21933%0.331CS..Hα-helixtrans-55.9-44.6-173.8-77.2179.8-170.9156.318.7112.4H121 F122 Q125 E129 S130 E131 E182H121-R127 HydrophobicContact CB-CG 3.95Å; H121-R127 PolarHBondContact O-NE 3.33Å; F122-R127 PolarHBondContact O-NH2 2.91Å; Q125-R127 VanDerWaalsContact C-N 3.35Å; R127-E129 VanDerWaalsContact C-N 3.35Å; R127-S130 WeakPolarHBondContact CA-OG 3.43Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 2.95Å; R127-E131 PolarHBondContact O-N 3.16Å; R127-E182 IonicContact CZ-OE1 3.97Å; R127-E182 IonicContact CZ-OE2 2.98Å; R127-E182 IonicContact NH1-OE1 3.42Å; R127-E182 PolarHBondContact NH1-OE1 2.76Å; R127-E182 IonicContact NH1-OE2 3.74Å; R127-E182 IonicContact NH2-OE1 2.79Å; R127-E182 PolarHBondContact NH2-OE1 2.76Å; R127-E182 IonicContact NH2-OE2 3.6Å; R127-E182 PolarHBondContact NH2-OE2 2.94Å
128F95.6Very high94.8Very high171 Ų17165.3 Ų65.375%0.7534%0.343SS*.Hα-helixtrans-64.9-40-180-178.3-101.4000112.1E126 S130E126-F128 VanDerWaalsContact C-N 3.3Å; E126-F128 PolarHBondContact O-N 2.92Å; F128-S130 VanDerWaalsContact C-N 3.35Å
129E97Very high94.5Very high122 Ų12268 Ų6857%0.5736%0.357SS*.Hα-helixtrans-74.7-29.8-179-66.1157.416500111.7E126 R127 L133E126-E129 PolarHBondContact O-N 2.88Å; E126-E129 VanDerWaalsContact O-N 3.11Å; R127-E129 VanDerWaalsContact C-N 3.35Å; E129-L133 WeakPolarHBondContact O-CD1 3.38Å
130S96.1Very high94.3Very high8 Ų872.1 Ų72.16%0.05638%0.375CS..Hα-helixtrans-79.4-15.4177.773.20000114.4F68 H121 E126 R127 F128 G132 L133F68-S130 WeakPolarHBondContact CB-O 3.43Å; H121-S130 WeakPolarHBondContact CB-OG 3.48Å; E126-S130 WeakPolarHBondContact O-CB 3.44Å; E126-S130 PolarHBondContact O-N 3.39Å; E126-S130 PolarHBondContact O-OG 3.11Å; R127-S130 WeakPolarHBondContact CA-OG 3.43Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 2.95Å; F128-S130 VanDerWaalsContact C-N 3.35Å; S130-G132 PolarHBondContact O-N 2.81Å; S130-L133 VanDerWaalsContact O-CB 3.26Å; S130-L133 WeakPolarHBondContact O-CB 3.43Å; S130-L133 PolarHBondContact O-N 2.83Å
131E95.8Very high94.3Very high121 Ų12171.8 Ų71.857%0.56537%0.372SS*.THydrogen-bonded Turntrans-57126.3-173.2-172.1176.1177.500111.2R127 L133R127-E131 PolarHBondContact O-N 3.16Å; E131-L133 PolarHBondContact O-N 2.83Å
132G95.1Very high94.3Very high44 Ų4470.4 Ų70.445%0.45437%0.366SS..THydrogen-bonded Turntrans72.71.5-177.900000115.3H67 F68 S130H67-G132 PolarHBondContact CD2-O 2.76Å; F68-G132 PolarHBondContact O-N 2.89Å; S130-G132 PolarHBondContact O-N 2.81Å
133L97.6Very high94.5Very high94 Ų9467.3 Ų67.349%0.49235%0.352SS..SBendtrans-79.3152.6170.2-59.6-173000111.2H67 F68 E129 S130 E131 V135H67-L133 CarbonylContact C-O 3.59Å; H67-L133 WeakPolarHBondContact CA-O 3.42Å; H67-L133 WeakPolarHBondContact CB-O 3.43Å; F68-L133 HydrophobicContact CD2-CB 4.45Å; F68-L133 WeakPolarHBondContact CD2-O 3.41Å; F68-L133 PolarHBondContact N-O 2.83Å; E129-L133 WeakPolarHBondContact O-CD1 3.38Å; S130-L133 VanDerWaalsContact O-CB 3.26Å; S130-L133 WeakPolarHBondContact O-CB 3.43Å; S130-L133 PolarHBondContact O-N 2.83Å; E131-L133 PolarHBondContact O-N 2.83Å; L133-V135 PolarHBondContact O-N 3.3Å
134P97.1Very high94.8Very high74 Ų7465.3 Ų65.348%0.48134%0.342SS..BIsolated β-bridgetrans-55.4135.8174.1-28.337.2000112.3T65 P136T65-P134 HydrophobicContact CG2-CB 3.79Å; T65-P134 HydrophobicContact CG2-CG 4.33Å; P134-P136 VanDerWaalsContact O-CD 3.3Å; P134-P136 WeakPolarHBondContact O-CD 3.48Å
135V95.7Very high95.1Very high23 Ų2362.4 Ų62.414%0.13932%0.322CS..PPolyproline II helixtrans-75.4118.1174.4-1800000109.2L66 F68 I119 L133 V141 L190L66-V135 HydrophobicContact CD2-CG2 4.38Å; L66-V135 HydrophobicContact CG-CG2 4.17Å; L66-V135 PolarHBondContact O-N 2.82Å; F68-V135 HydrophobicContact CD1-CG2 4.08Å; F68-V135 HydrophobicContact CD2-CG2 4.19Å; F68-V135 HydrophobicContact CE1-CG1 4.47Å; F68-V135 HydrophobicContact CE1-CG2 4.28Å; F68-V135 HydrophobicContact CE2-CG2 4.38Å; F68-V135 HydrophobicContact CG-CG2 4.04Å; F68-V135 HydrophobicContact CZ-CG1 4.37Å; F68-V135 HydrophobicContact CZ-CG2 4.43Å; I119-V135 HydrophobicContact CB-CG1 4.49Å; I119-V135 HydrophobicContact CB-CG2 3.97Å; I119-V135 HydrophobicContact CG1-CG2 4.39Å; I119-V135 HydrophobicContact CG2-CG1 3.86Å; I119-V135 HydrophobicContact CG2-CG2 3.99Å; L133-V135 PolarHBondContact O-N 3.3Å; V135-V141 HydrophobicContact CG1-CG1 4.25Å; V135-L190 HydrophobicContact CG1-CD1 4.01Å
136P92.1Very high95.3Very high42 Ų4256.4 Ų56.427%0.27330%0.298SS..PPolyproline II helixtrans-68.5138.8176.326.1-30.8000111.2P134 E139P134-P136 VanDerWaalsContact O-CD 3.3Å; P134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-E139 HydrophobicContact CB-CB 4.28Å; P136-E139 HydrophobicContact CB-CG 3.94Å; P136-E139 HydrophobicContact CG-CB 3.92Å; P136-E139 VanDerWaalsContact CG-CD 3.45Å; P136-E139 HydrophobicContact CG-CG 3.97Å; P136-E139 WeakPolarHBondContact CG-OE2 2.97Å
137A88.6Confident95.4Very high49 Ų4956.8 Ų56.841%0.40530%0.301SS..THydrogen-bonded Turntrans-73.2151.9172.200000110.6E139 T192A137-E139 PolarHBondContact O-N 3.25Å; A137-E139 VanDerWaalsContact O-N 3.12Å; A137-T192 HydrophobicContact CB-CG2 4.41Å; A137-T192 WeakPolarHBondContact CB-OG1 3.48Å
138N88.8Confident95.6Very high50 Ų5055 Ų5527%0.26730%0.297SS..THydrogen-bonded Turntrans61.812.7177.4-50.9-59000115.7I189 L190 F202N138-I189 HydrophobicContact CB-CG2 4.48Å; N138-L190 PolarHBondContact N-O 3Å; N138-F202 HydrophobicContact CB-CB 4.17Å; N138-F202 HydrophobicContact CB-CD2 4.44Å; N138-F202 HydrophobicContact CB-CG 4.19Å
139E91.1Very high95.7Very high105 Ų10552 Ų5249%0.49129%0.288SS..SBendtrans-101.6161.4172.4-68.4-165.9-167.700112.2P136 A137P136-E139 HydrophobicContact CB-CB 4.28Å; P136-E139 HydrophobicContact CB-CG 3.94Å; P136-E139 HydrophobicContact CG-CB 3.92Å; P136-E139 VanDerWaalsContact CG-CD 3.45Å; P136-E139 HydrophobicContact CG-CG 3.97Å; P136-E139 WeakPolarHBondContact CG-OE2 2.97Å; A137-E139 PolarHBondContact O-N 3.25Å; A137-E139 VanDerWaalsContact O-N 3.12Å
140K93.8Very high95.7Very high86 Ų8648.7 Ų48.737%0.37427%0.273SS..EExtended strand (participates in β ladder)trans-72.9128.7178.9-174.8-176.4-82.3-179.30109.6F122 F187 W188F122-K140 HydrophobicContact CB-CB 4.44Å; F122-K140 HydrophobicContact CB-CD 3.97Å; F122-K140 HydrophobicContact CB-CG 3.83Å; F122-K140 HydrophobicContact CD1-CB 4.09Å; F122-K140 HydrophobicContact CD1-CD 4.44Å; F122-K140 HydrophobicContact CD1-CG 4.33Å; F122-K140 WeakPolarHBondContact CD1-O 3.15Å; F122-K140 HydrophobicContact CD2-CD 3.65Å; F122-K140 HydrophobicContact CD2-CG 4.32Å; F122-K140 HydrophobicContact CE2-CD 4.3Å; F122-K140 HydrophobicContact CG-CB 4.15Å; F122-K140 HydrophobicContact CG-CD 3.73Å; F122-K140 HydrophobicContact CG-CG 3.88Å; K140-F187 HydrophobicContact CD-CB 3.85Å; K140-F187 HydrophobicContact CD-CD1 4.07Å; K140-F187 HydrophobicContact CD-CD2 3.69Å; K140-F187 HydrophobicContact CD-CE2 4.28Å; K140-F187 HydrophobicContact CD-CG 3.61Å; K140-F187 HydrophobicContact CG-CB 3.79Å; K140-F187 HydrophobicContact CG-CD1 4.28Å; K140-F187 HydrophobicContact CG-CG 3.97Å; K140-W188 CarbonylContact C-O 3.57Å; K140-W188 WeakPolarHBondContact CA-O 3.13Å
141V96.8Very high95.8Very high1 Ų148.3 Ų48.31%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-141.5165.8178.9-60.80000111.5F68 I119 V135 W188 L190F68-V141 HydrophobicContact CE1-CG1 4.18Å; F68-V141 HydrophobicContact CZ-CG1 4.44Å; I119-V141 HydrophobicContact CD1-CG2 4.42Å; I119-V141 HydrophobicContact CG2-CB 3.63Å; I119-V141 HydrophobicContact CG2-CG1 3.81Å; I119-V141 HydrophobicContact CG2-CG2 3.98Å; V135-V141 HydrophobicContact CG1-CG1 4.25Å; V141-W188 WeakPolarHBondContact CG2-O 3.29Å; V141-W188 PolarHBondContact N-O 3.24Å; V141-W188 PolarHBondContact O-N 2.7Å; V141-L190 HydrophobicContact CG2-CD1 4.43Å; V141-L190 HydrophobicContact CG2-CG 4.17Å
142L97.9Very high95.9Very high1 Ų142.6 Ų42.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-100138164.9-67.7170.5000109.8I119 S120 I144 E182 N186 F187I119-L142 WeakPolarHBondContact CA-O 3.38Å; S120-L142 PolarHBondContact N-O 3.06Å; S120-L142 PolarHBondContact O-N 2.73Å; L142-I144 HydrophobicContact CB-CD1 3.85Å; L142-I144 HydrophobicContact CB-CG1 4.21Å; L142-E182 HydrophobicContact CD1-CB 4.44Å; L142-E182 HydrophobicContact CD1-CG 3.91Å; L142-E182 HydrophobicContact CD2-CB 4.06Å; L142-E182 HydrophobicContact CD2-CG 4.13Å; L142-N186 HydrophobicContact CD2-CB 3.83Å; L142-N186 WeakPolarHBondContact CD2-O 3.37Å; L142-F187 HydrophobicContact CD2-CD1 3.65Å; L142-F187 HydrophobicContact CD2-CE1 3.84Å; L142-F187 HydrophobicContact CG-CD1 4.33Å; L142-F187 HydrophobicContact CG-CE1 4.39Å
143V98.4Very high96.1Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-106.8107.9172-171.40000107.4L2 L74 W117 I119 G151 L152 W188L2-V143 HydrophobicContact CD2-CG2 4.11Å; L74-V143 HydrophobicContact CD1-CG1 4.42Å; W117-V143 HydrophobicContact CB-CG1 4.26Å; W117-V143 HydrophobicContact CD2-CG1 4.32Å; W117-V143 HydrophobicContact CE3-CG1 3.83Å; I119-V143 HydrophobicContact CD1-CB 4.43Å; I119-V143 HydrophobicContact CD1-CG1 4.35Å; I119-V143 HydrophobicContact CD1-CG2 3.87Å; V143-G151 CarbonylContact O-C 3.59Å; V143-G151 WeakPolarHBondContact O-CA 3.43Å; V143-L152 HydrophobicContact CB-CB 4.04Å; V143-L152 HydrophobicContact CB-CD2 4.41Å; V143-L152 HydrophobicContact CG1-CB 4.48Å; V143-L152 HydrophobicContact CG1-CD2 4.49Å; V143-L152 PolarHBondContact O-N 2.86Å; V143-W188 HydrophobicContact CG2-CB 4.02Å; V143-W188 HydrophobicContact CG2-CG 4.12Å
144I98.6Very high96Very high12 Ų1236 Ų366%0.06220%0.199CC..EExtended strand (participates in β ladder)trans-107.7129.8-171-54.7-57.2000109.9W117 K118 L142 C146W117-I144 CarbonylContact C-O 3.58Å; W117-I144 VanDerWaalsContact CA-O 3.22Å; W117-I144 WeakPolarHBondContact CA-O 3.41Å; K118-I144 HydrophobicContact CG-CB 3.95Å; K118-I144 PolarHBondContact N-O 2.91Å; K118-I144 PolarHBondContact O-N 3.48Å; L142-I144 HydrophobicContact CB-CD1 3.85Å; L142-I144 HydrophobicContact CB-CG1 4.21Å; I144-C146 PolarHBondContact O-N 3.23Å
145H98.6Very high95.9Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-72.7119.7173.1-177.9-123.3000109.9S88 L114 W116 W117 M147 T148 N149 Q150S88-H145 PolarHBondContact O-CE1 2.82Å; S88-H145 PolarHBondContact O-NE2 3.19Å; L114-H145 PolarHBondContact O-NE2 2.67Å; W116-H145 PolarHBondContact O-CD2 3.41Å; W116-H145 VanDerWaalsContact O-CD2 3.23Å; W117-H145 HydrophobicContact CD2-CB 4.32Å; W117-H145 VanDerWaalsContact CE3-CA 3.49Å; W117-H145 HydrophobicContact CE3-CB 3.78Å; W117-H145 VanDerWaalsContact CE3-N 3.32Å; W117-H145 HydrophobicContact CH2-CB 3.93Å; W117-H145 HydrophobicContact CZ2-CB 4.43Å; W117-H145 HydrophobicContact CZ3-CB 3.58Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 3.2Å; H145-T148 PolarHBondContact ND1-N 3.12Å; H145-T148 PolarHBondContact ND1-OG1 2.85Å; H145-T148 PolarHBondContact O-N 3.28Å; H145-N149 VanDerWaalsContact O-CA 3.26Å; H145-N149 WeakPolarHBondContact O-CA 3.43Å; H145-N149 PolarHBondContact O-N 2.91Å; H145-Q150 PolarHBondContact N-O 3.31Å
146C97.9Very high95.6Very high35 Ų3532.2 Ų32.224%0.23618%0.177CC..THydrogen-bonded Turntrans-61.5-39.8-170.7-66.30000112.5S71 W116 I144S71-C146 PolarHBondContact OG-SG 2.94Å; W116-C146 HydrophobicContact CB-CB 3.96Å; W116-C146 PolarHBondContact O-N 2.79Å; I144-C146 PolarHBondContact O-N 3.23Å
147M97.2Very high95.5Very high96 Ų9636.1 Ų36.147%0.47319%0.192SC..THydrogen-bonded Turntrans-78.6-26.8-173.4-81-63.3168.700114.7V113 H145V113-M147 HydrophobicContact CB-CE 3.38Å; V113-M147 HydrophobicContact CB-CG 3.93Å; V113-M147 HydrophobicContact CB-SD 4.35Å; V113-M147 HydrophobicContact CG1-CE 3.7Å; V113-M147 HydrophobicContact CG2-CE 3.81Å; V113-M147 HydrophobicContact CG2-CG 4.12Å; V113-M147 HydrophobicContact CG2-SD 4.42Å; V113-M147 WeakPolarHBondContact O-CG 3.43Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 3.2Å
148T97.1Very high95.8Very high22 Ų2237.6 Ų37.614%0.13519%0.189CC..THydrogen-bonded Turntrans-113.4-5.1-179.863.90000113.8K90 Q103 H145 Q150K90-T148 HydrophobicContact CG-CG2 3.61Å; Q103-T148 PolarHBondContact NE2-OG1 3.01Å; Q103-T148 PolarHBondContact OE1-OG1 2.81Å; H145-T148 PolarHBondContact ND1-N 3.12Å; H145-T148 PolarHBondContact ND1-OG1 2.85Å; H145-T148 PolarHBondContact O-N 3.28Å; T148-Q150 PolarHBondContact O-N 3.23Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 PolarHBondContact O-NE2 3.04Å
149N97.5Very high96Very high107 Ų10738.3 Ų38.357%0.57219%0.192SC*.THydrogen-bonded Turntrans51.232.1-174.9-15851000113H145H145-N149 VanDerWaalsContact O-CA 3.26Å; H145-N149 WeakPolarHBondContact O-CA 3.43Å; H145-N149 PolarHBondContact O-N 2.91Å
150Q98.2Very high96.1Very high52 Ų5234.2 Ų34.224%0.24317%0.174CC..EExtended strand (participates in β ladder)trans-99.6138176.8-64.9-56.7-54.400110H145 T148 A172 T174H145-Q150 PolarHBondContact N-O 3.31Å; T148-Q150 PolarHBondContact O-N 3.23Å; T148-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 PolarHBondContact O-NE2 3.04Å; Q150-A172 HydrophobicContact CB-CB 4.08Å; Q150-A172 WeakPolarHBondContact CB-O 3.41Å; Q150-T174 VanDerWaalsContact OE1-N 3.11Å
151G98.1Very high96Very high1 Ų139.4 Ų39.41%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-74.4140.6173.900000112V143 A153 A172 H173 T174V143-G151 CarbonylContact O-C 3.59Å; V143-G151 WeakPolarHBondContact O-CA 3.43Å; G151-A153 PolarHBondContact O-N 2.98Å; G151-A172 CarbonylContact O-C 3.45Å; G151-A172 WeakPolarHBondContact O-CA 3.35Å; G151-H173 CarbonylContact O-C 3.57Å; G151-H173 VanDerWaalsContact O-C 3.32Å; G151-H173 PolarHBondContact O-N 3.03Å; G151-H173 VanDerWaalsContact O-O 3.07Å; G151-T174 PolarHBondContact N-OG1 2.85Å
152L98.6Very high95.6Very high0 Ų040.4 Ų40.40%020%0.197CC..EExtended strand (participates in β ladder)trans-61.4132.1166.9-171.667.9000108.5L2 L15 V105 W117 V143 V170 N186 W188L2-L152 HydrophobicContact CD2-CD2 4.06Å; L15-L152 HydrophobicContact CD2-CD2 4.36Å; V105-L152 HydrophobicContact CG1-CD1 4.13Å; V105-L152 HydrophobicContact CG2-CD1 3.99Å; W117-L152 HydrophobicContact CH2-CD1 3.91Å; W117-L152 HydrophobicContact CZ3-CB 3.95Å; W117-L152 HydrophobicContact CZ3-CD1 4.19Å; V143-L152 HydrophobicContact CB-CB 4.04Å; V143-L152 HydrophobicContact CB-CD2 4.41Å; V143-L152 HydrophobicContact CG1-CB 4.48Å; V143-L152 HydrophobicContact CG1-CD2 4.49Å; V143-L152 PolarHBondContact O-N 2.86Å; L152-V170 HydrophobicContact CD1-CG1 3.63Å; L152-V170 HydrophobicContact CG-CG1 4.34Å; L152-N186 WeakPolarHBondContact O-CA 3.49Å; L152-N186 PolarHBondContact O-ND2 2.77Å; L152-W188 HydrophobicContact CD2-CD2 4.21Å; L152-W188 HydrophobicContact CD2-CH2 4.32Å; L152-W188 HydrophobicContact CD2-CZ2 3.76Å; L152-W188 HydrophobicContact CG-CZ2 3.72Å; L152-W188 PolarHBondContact O-NE1 2.84Å
153A97.8Very high95.2Very high0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-136.4153.2-178.900000111.5G151 V170 V171 F175 V185 N186G151-A153 PolarHBondContact O-N 2.98Å; A153-V170 CarbonylContact O-C 3.58Å; A153-V170 VanDerWaalsContact O-CA 3.29Å; A153-V170 WeakPolarHBondContact O-CA 3.24Å; A153-V171 HydrophobicContact CB-CG2 3.93Å; A153-V171 PolarHBondContact N-O 3.18Å; A153-V171 PolarHBondContact O-N 3.41Å; A153-F175 HydrophobicContact CB-CD2 3.92Å; A153-F175 HydrophobicContact CB-CE2 3.75Å; A153-V185 VanDerWaalsContact CA-O 3.23Å; A153-V185 WeakPolarHBondContact CA-O 3.45Å; A153-N186 WeakPolarHBondContact CB-ND2 3.48Å
154V96.6Very high94.7Very high0 Ų048.7 Ų48.70%024%0.243CC..EExtended strand (participates in β ladder)trans-124.5128171.458.30000110.6N4 R10 Y168 E169 V170 V185 W188N4-V154 HydrophobicContact CB-CG1 3.52Å; N4-V154 VanDerWaalsContact CG-CG1 3.41Å; R10-V154 PolarHBondContact NH1-O 3.02Å; V154-Y168 HydrophobicContact CG2-CD2 4.42Å; V154-Y168 HydrophobicContact CG2-CG 4.34Å; V154-E169 WeakPolarHBondContact CA-O 3.49Å; V154-V170 HydrophobicContact CB-CG2 4.15Å; V154-V170 HydrophobicContact CG2-CG2 4.04Å; V154-V185 PolarHBondContact N-O 3.25Å; V154-V185 VanDerWaalsContact N-O 3.14Å; V154-V185 WeakPolarHBondContact O-CB 3.27Å; V154-W188 HydrophobicContact CB-CH2 4.07Å; V154-W188 HydrophobicContact CB-CZ2 4.12Å; V154-W188 HydrophobicContact CG1-CH2 4.01Å; V154-W188 HydrophobicContact CG1-CZ2 4.06Å
155L95Very high94.4Very high2 Ų249.6 Ų49.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-103.7104.4-169.5-54.9-174.7000110.6L102 E157 K158 E169 V171 F175L102-L155 HydrophobicContact CD1-CD1 4.14Å; L155-E157 VanDerWaalsContact C-N 3.27Å; L155-E157 PolarHBondContact O-N 3Å; L155-K158 HydrophobicContact CB-CB 3.82Å; L155-K158 HydrophobicContact CB-CG 3.75Å; L155-K158 HydrophobicContact CD1-CB 4.37Å; L155-K158 HydrophobicContact CD1-CG 3.79Å; L155-K158 HydrophobicContact CG-CG 4.44Å; L155-K158 PolarHBondContact O-N 3.1Å; L155-E169 PolarHBondContact N-O 3.43Å; L155-V171 HydrophobicContact CD1-CG1 4.06Å; L155-V171 HydrophobicContact CD1-CG2 4.06Å; L155-V171 HydrophobicContact CD2-CG2 4.28Å; L155-V171 HydrophobicContact CG-CG2 4.13Å; L155-F175 HydrophobicContact CD2-CE1 4.36Å; L155-F175 HydrophobicContact CD2-CE2 3.53Å; L155-F175 HydrophobicContact CD2-CZ 3.44Å; L155-F175 VanDerWaalsContact CD2-CZ 3.44Å
156G88.9Confident94.1Very high15 Ų1556.2 Ų56.216%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-63.4-33.3-174.900000113.6K158 Y168G156-K158 VanDerWaalsContact C-N 3.34Å; G156-Y168 VanDerWaalsContact CA-CD1 3.45Å; G156-Y168 WeakPolarHBondContact O-CD1 3.46Å; G156-Y168 WeakPolarHBondContact O-CE1 3.33Å
157E90.7Very high93.9Very high124 Ų12454.6 Ų54.658%0.57927%0.27SS*.EExtended strand (participates in β ladder)trans-82.6-10-17963-69.6159.500113.4L155L155-E157 VanDerWaalsContact C-N 3.27Å; L155-E157 PolarHBondContact O-N 3Å
158K94.4Very high93.8Very high80 Ų8050.7 Ų50.735%0.34825%0.25SC..EExtended strand (participates in β ladder)trans-108.385.4179.4-55.5-56.8179.7-173.20110.3K99 L155 G156 E169K99-K158 HydrophobicContact CB-CB 4.04Å; K99-K158 HydrophobicContact CB-CD 4.45Å; L155-K158 HydrophobicContact CB-CB 3.82Å; L155-K158 HydrophobicContact CB-CG 3.75Å; L155-K158 HydrophobicContact CD1-CB 4.37Å; L155-K158 HydrophobicContact CD1-CG 3.79Å; L155-K158 HydrophobicContact CG-CG 4.44Å; L155-K158 PolarHBondContact O-N 3.1Å; G156-K158 VanDerWaalsContact C-N 3.34Å; K158-E169 HydrophobicContact CB-CB 3.8Å; K158-E169 WeakPolarHBondContact O-CB 3.18Å; K158-E169 PolarHBondContact O-N 3.08Å
159L93.4Very high93.8Very high65 Ų6549.9 Ų49.934%0.3424%0.244SC..EExtended strand (participates in β ladder)trans-78136.5-177.4-65.7170.8000113.1K99 R166 E167 Y168K99-L159 VanDerWaalsContact CE-O 3.25Å; K99-L159 WeakPolarHBondContact CE-O 3.37Å; L159-R166 HydrophobicContact CD2-CB 4.46Å; L159-E167 CarbonylContact C-O 3.57Å; L159-E167 WeakPolarHBondContact CA-O 3.09Å; L159-Y168 HydrophobicContact CD2-CD1 3.66Å; L159-Y168 HydrophobicContact CD2-CE1 3.61Å
160L92.4Very high93.8Very high20 Ų2045 Ų4511%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-108133.5169.3-61.3178.9000109.6K99 T162 E167 E169K99-L160 HydrophobicContact CG-CD2 3.69Å; L160-T162 HydrophobicContact CB-CG2 4.04Å; L160-E167 PolarHBondContact N-O 2.64Å; L160-E167 PolarHBondContact O-N 2.72Å; L160-E169 HydrophobicContact CD1-CB 4.27Å; L160-E169 HydrophobicContact CG-CB 4.21Å
161W90.9Very high93.8Very high194 Ų19442.5 Ų42.574%0.73521%0.206SC*.EExtended strand (participates in β ladder)trans-89.5109.9168.3-72.498.3000108.4R166W161-R166 HydrophobicContact CD2-CG 4.13Å; W161-R166 HydrophobicContact CE3-CG 3.82Å; W161-R166 HydrophobicContact CH2-CG 3.57Å; W161-R166 HydrophobicContact CZ2-CG 3.86Å; W161-R166 HydrophobicContact CZ3-CG 3.54Å
162T90.4Very high93.8Very high22 Ų2242.4 Ų42.414%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-117.4172.1-179.977.30000110N18 L160 Y164 G165 E167N18-T162 WeakPolarHBondContact ND2-CG2 3.4Å; N18-T162 WeakPolarHBondContact OD1-CG2 3.24Å; L160-T162 HydrophobicContact CB-CG2 4.04Å; T162-Y164 PolarHBondContact O-N 2.93Å; T162-Y164 PolarHBondContact OG1-N 3.07Å; T162-G165 PolarHBondContact N-O 3.05Å; T162-G165 PolarHBondContact O-N 3.19Å; T162-E167 WeakPolarHBondContact CB-OE2 3.42Å; T162-E167 HydrophobicContact CG2-CB 4.28Å; T162-E167 HydrophobicContact CG2-CG 4.49Å; T162-E167 VanDerWaalsContact CG2-OE2 3.24Å; T162-E167 WeakPolarHBondContact CG2-OE2 3.25Å; T162-E167 VanDerWaalsContact OG1-CD 3.3Å; T162-E167 PolarHBondContact OG1-OE2 3.16Å
163A88.4Confident93.7Very high65 Ų6545.4 Ų45.454%0.53722%0.22SC..THydrogen-bonded Turntrans-61.5-12.8173.500000113.1
164Y88.6Confident93.7Very high110 Ų11046.8 Ų46.843%0.43123%0.228SC..THydrogen-bonded Turntrans-102.55.7179.7-53.3-79.6000112.8T162T162-Y164 PolarHBondContact O-N 2.93Å; T162-Y164 PolarHBondContact OG1-N 3.07Å
165G90.9Very high93.7Very high31 Ų3148.9 Ų48.932%0.3224%0.238SC..EExtended strand (participates in β ladder)trans108.4-146.7178.300000113.5T162T162-G165 PolarHBondContact N-O 3.05Å; T162-G165 PolarHBondContact O-N 3.19Å
166R92.4Very high93.8Very high139 Ų13952.7 Ų52.753%0.52526%0.258SS..EExtended strand (participates in β ladder)trans-88.4106.2177.4-67.7-172.1-63.9-1680.5109.4K42 L159 W161K42-R166 VanDerWaalsContact CD-O 3.22Å; K42-R166 WeakPolarHBondContact CD-O 3.4Å; K42-R166 WeakPolarHBondContact CE-O 3.47Å; K42-R166 WeakPolarHBondContact CG-O 3.49Å; L159-R166 HydrophobicContact CD2-CB 4.46Å; W161-R166 HydrophobicContact CD2-CG 4.13Å; W161-R166 HydrophobicContact CE3-CG 3.82Å; W161-R166 HydrophobicContact CH2-CG 3.57Å; W161-R166 HydrophobicContact CZ2-CG 3.86Å; W161-R166 HydrophobicContact CZ3-CG 3.54Å
167E94Very high93.8Very high2 Ų255.1 Ų55.11%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-112.3169.3177.4-63.6-175.7134.800110S39 G40 G41 R49 L159 L160 T162S39-E167 WeakPolarHBondContact CB-OE2 3.25Å; S39-E167 VanDerWaalsContact OG-CD 3.27Å; S39-E167 PolarHBondContact OG-OE2 3.47Å; G40-E167 WeakPolarHBondContact O-CB 3.26Å; G41-E167 WeakPolarHBondContact CA-OE1 3.23Å; R49-E167 IonicContact CZ-OE1 2.79Å; R49-E167 IonicContact NE-OE1 3.82Å; R49-E167 IonicContact NH2-OE1 2.9Å; R49-E167 PolarHBondContact NH2-OE1 3.33Å; L159-E167 CarbonylContact C-O 3.57Å; L159-E167 WeakPolarHBondContact CA-O 3.09Å; L160-E167 PolarHBondContact N-O 2.64Å; L160-E167 PolarHBondContact O-N 2.72Å; T162-E167 WeakPolarHBondContact CB-OE2 3.42Å; T162-E167 HydrophobicContact CG2-CB 4.28Å; T162-E167 HydrophobicContact CG2-CG 4.49Å; T162-E167 VanDerWaalsContact CG2-OE2 3.24Å; T162-E167 WeakPolarHBondContact CG2-OE2 3.25Å; T162-E167 VanDerWaalsContact OG1-CD 3.3Å; T162-E167 PolarHBondContact OG1-OE2 3.16Å
168Y95.5Very high93.9Very high14 Ų1455.5 Ų55.56%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-95.1150.1-179.1-56.8-60.6000111.6E11 S13 S39 G40 K42 V154 G156 L159E11-Y168 PolarHBondContact OE2-OH 3.17Å; S13-Y168 WeakPolarHBondContact OG-CD2 3.38Å; S13-Y168 WeakPolarHBondContact OG-CE2 3.36Å; S39-Y168 WeakPolarHBondContact CA-O 3.49Å; G40-Y168 PolarHBondContact N-O 3.37Å; G40-Y168 WeakPolarHBondContact O-CD2 3.47Å; G40-Y168 PolarHBondContact O-N 2.87Å; K42-Y168 VanDerWaalsContact CE-CZ 3.47Å; K42-Y168 VanDerWaalsContact CE-OH 3.25Å; K42-Y168 WeakPolarHBondContact CE-OH 3.15Å; K42-Y168 HydrophobicContact CG-CD2 4.47Å; K42-Y168 HydrophobicContact CG-CE2 3.86Å; K42-Y168 PolarHBondContact NZ-OH 2.89Å; V154-Y168 HydrophobicContact CG2-CD2 4.42Å; V154-Y168 HydrophobicContact CG2-CG 4.34Å; G156-Y168 VanDerWaalsContact CA-CD1 3.45Å; G156-Y168 WeakPolarHBondContact O-CD1 3.46Å; G156-Y168 WeakPolarHBondContact O-CE1 3.33Å; L159-Y168 HydrophobicContact CD2-CD1 3.66Å; L159-Y168 HydrophobicContact CD2-CE1 3.61Å
169E96.3Very high93.6Very high5 Ų559.2 Ų59.22%0.02330%0.296CS..EExtended strand (participates in β ladder)trans-70.2137.9170.6-172.1172.4-114.800110.5A97 K98 K99 S100 V154 L155 K158 L160 V171A97-E169 HydrophobicContact CB-CG 4.32Å; A97-E169 WeakPolarHBondContact CB-OE1 3.33Å; K98-E169 PolarHBondContact N-OE1 2.72Å; K99-E169 WeakPolarHBondContact CB-OE1 3.37Å; K99-E169 PolarHBondContact N-OE1 3.5Å; S100-E169 WeakPolarHBondContact CB-OE2 3.35Å; S100-E169 PolarHBondContact N-OE2 2.85Å; S100-E169 PolarHBondContact OG-OE2 2.85Å; V154-E169 WeakPolarHBondContact CA-O 3.49Å; L155-E169 PolarHBondContact N-O 3.43Å; K158-E169 HydrophobicContact CB-CB 3.8Å; K158-E169 WeakPolarHBondContact O-CB 3.18Å; K158-E169 PolarHBondContact O-N 3.08Å; L160-E169 HydrophobicContact CD1-CB 4.27Å; L160-E169 HydrophobicContact CG-CB 4.21Å; E169-V171 HydrophobicContact CG-CG1 3.95Å
170V97.6Very high93.4Very high3 Ų366.2 Ų66.22%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-113.4134.9174.5172.30000108.4L15 V38 G40 V105 L152 A153 V154L15-V170 HydrophobicContact CD1-CG1 3.94Å; L15-V170 HydrophobicContact CD1-CG2 4.24Å; V38-V170 HydrophobicContact CG2-CB 4.13Å; V38-V170 HydrophobicContact CG2-CG1 4.11Å; G40-V170 VanDerWaalsContact N-CG2 3.34Å; V105-V170 HydrophobicContact CB-CG1 4.32Å; L152-V170 HydrophobicContact CD1-CG1 3.63Å; L152-V170 HydrophobicContact CG-CG1 4.34Å; A153-V170 CarbonylContact O-C 3.58Å; A153-V170 VanDerWaalsContact O-CA 3.29Å; A153-V170 WeakPolarHBondContact O-CA 3.24Å; V154-V170 HydrophobicContact CB-CG2 4.15Å; V154-V170 HydrophobicContact CG2-CG2 4.04Å
171V98.1Very high93.3Very high0 Ų066.7 Ų66.70%033%0.325CS..EExtended strand (participates in β ladder)trans-139.2165.3-174.8-57.50000110.8A97 L102 Q103 A153 L155 E169 H173 F175A97-V171 HydrophobicContact CB-CG1 3.66Å; L102-V171 HydrophobicContact CB-CB 4.25Å; L102-V171 HydrophobicContact CB-CG1 4.17Å; L102-V171 HydrophobicContact CD1-CG2 4.1Å; Q103-V171 WeakPolarHBondContact O-CA 3.35Å; Q103-V171 WeakPolarHBondContact O-CB 3.48Å; A153-V171 HydrophobicContact CB-CG2 3.93Å; A153-V171 PolarHBondContact N-O 3.18Å; A153-V171 PolarHBondContact O-N 3.41Å; L155-V171 HydrophobicContact CD1-CG1 4.06Å; L155-V171 HydrophobicContact CD1-CG2 4.06Å; L155-V171 HydrophobicContact CD2-CG2 4.28Å; L155-V171 HydrophobicContact CG-CG2 4.13Å; E169-V171 HydrophobicContact CG-CG1 3.95Å; V171-H173 HydrophobicContact CG2-CB 4.04Å; V171-F175 HydrophobicContact CG2-CE2 4.32Å
172A98.3Very high93.5Very high0 Ų058.6 Ų58.60%030%0.296CS..EExtended strand (participates in β ladder)trans-101.293.5166.300000108.9S88 Q103 V105 W117 Q150 G151S88-A172 WeakPolarHBondContact OG-CB 3.37Å; Q103-A172 HydrophobicContact CB-CB 4.14Å; Q103-A172 WeakPolarHBondContact CB-O 3.49Å; Q103-A172 HydrophobicContact CG-CB 4.12Å; Q103-A172 PolarHBondContact O-N 2.67Å; V105-A172 HydrophobicContact CG2-CB 3.91Å; W117-A172 HydrophobicContact CH2-CB 4.31Å; Q150-A172 HydrophobicContact CB-CB 4.08Å; Q150-A172 WeakPolarHBondContact CB-O 3.41Å; G151-A172 CarbonylContact O-C 3.45Å; G151-A172 WeakPolarHBondContact O-CA 3.35Å
173H98Very high93.7Very high62 Ų6261 Ų6129%0.28731%0.305SS..  trans-152.8131.7177.3-169.873.2000111.1L102 G151 V171 F175 N186L102-H173 HydrophobicContact CD1-CB 4.22Å; G151-H173 CarbonylContact O-C 3.57Å; G151-H173 VanDerWaalsContact O-C 3.32Å; G151-H173 PolarHBondContact O-N 3.03Å; G151-H173 VanDerWaalsContact O-O 3.07Å; V171-H173 HydrophobicContact CG2-CB 4.04Å; H173-F175 HydrophobicContact CB-CD2 4.37Å; H173-F175 HydrophobicContact CB-CE2 3.77Å; H173-F175 HydrophobicContact CB-CZ 4.24Å; H173-F175 AromaticContact CD2-CD1 3.85Å; H173-F175 AromaticContact CD2-CD2 3.69Å; H173-F175 AromaticContact CD2-CE1 3.65Å; H173-F175 AromaticContact CD2-CE2 3.48Å; H173-F175 VanDerWaalsContact CD2-CE2 3.48Å; H173-F175 WeakPolarHBondContact CD2-CE2 3.37Å; H173-F175 AromaticContact CD2-CG 3.87Å; H173-F175 AromaticContact CD2-CZ 3.45Å; H173-F175 VanDerWaalsContact CD2-CZ 3.45Å; H173-F175 WeakPolarHBondContact CD2-CZ 3.43Å; H173-F175 AromaticContact CG-CE2 3.99Å; H173-F175 WeakPolarHBondContact O-CD2 3.29Å; H173-F175 PolarHBondContact O-N 2.81Å; H173-N186 PolarHBondContact O-ND2 3.12Å
174T97.6Very high94Very high30 Ų3060.4 Ų60.418%0.18429%0.293CS..  trans-87105.9174.5-520000110.1Q150 G151 L176 E182Q150-T174 VanDerWaalsContact OE1-N 3.11Å; G151-T174 PolarHBondContact N-OG1 2.85Å; T174-L176 HydrophobicContact CG2-CD2 3.76Å; T174-L176 HydrophobicContact CG2-CG 4.32Å; T174-E182 HydrophobicContact CG2-CG 3.68Å
175F96.4Very high94.3Very high44 Ų4455.8 Ų55.819%0.19328%0.276CS..  trans-85.4125.2173.5-66.6-92.4000109.5L102 A153 L155 V171 H173 E182 Q183 V185 N186L102-F175 HydrophobicContact CD1-CZ 3.79Å; A153-F175 HydrophobicContact CB-CD2 3.92Å; A153-F175 HydrophobicContact CB-CE2 3.75Å; L155-F175 HydrophobicContact CD2-CE1 4.36Å; L155-F175 HydrophobicContact CD2-CE2 3.53Å; L155-F175 HydrophobicContact CD2-CZ 3.44Å; L155-F175 VanDerWaalsContact CD2-CZ 3.44Å; V171-F175 HydrophobicContact CG2-CE2 4.32Å; H173-F175 HydrophobicContact CB-CD2 4.37Å; H173-F175 HydrophobicContact CB-CE2 3.77Å; H173-F175 HydrophobicContact CB-CZ 4.24Å; H173-F175 AromaticContact CD2-CD1 3.85Å; H173-F175 AromaticContact CD2-CD2 3.69Å; H173-F175 AromaticContact CD2-CE1 3.65Å; H173-F175 AromaticContact CD2-CE2 3.48Å; H173-F175 VanDerWaalsContact CD2-CE2 3.48Å; H173-F175 WeakPolarHBondContact CD2-CE2 3.37Å; H173-F175 AromaticContact CD2-CG 3.87Å; H173-F175 AromaticContact CD2-CZ 3.45Å; H173-F175 VanDerWaalsContact CD2-CZ 3.45Å; H173-F175 WeakPolarHBondContact CD2-CZ 3.43Å; H173-F175 AromaticContact CG-CE2 3.99Å; H173-F175 WeakPolarHBondContact O-CD2 3.29Å; H173-F175 PolarHBondContact O-N 2.81Å; F175-E182 CarbonylContact O-C 3.4Å; F175-E182 WeakPolarHBondContact O-CA 3.3Å; F175-Q183 HydrophobicContact CB-CB 4.13Å; F175-Q183 HydrophobicContact CB-CG 4.21Å; F175-Q183 PolarHBondContact O-N 3.4Å; F175-V185 HydrophobicContact CB-CG2 3.75Å; F175-V185 HydrophobicContact CD2-CG2 3.53Å; F175-V185 HydrophobicContact CE2-CG2 4.33Å; F175-V185 HydrophobicContact CG-CG2 3.74Å; F175-N186 WeakPolarHBondContact CA-OD1 3.39Å; F175-N186 WeakPolarHBondContact CB-OD1 3.49Å; F175-N186 PolarHBondContact N-OD1 2.66Å; F175-N186 PolarHBondContact O-OD1 2.86Å
176L95.5Very high94.6Very high82 Ų8254.3 Ų54.343%0.42926%0.261SS..BIsolated β-bridgetrans-113143.3-179.3-60.3-179000110.6T174 R180 A181 E182 Q183T174-L176 HydrophobicContact CG2-CD2 3.76Å; T174-L176 HydrophobicContact CG2-CG 4.32Å; L176-R180 HydrophobicContact CD1-CB 4.48Å; L176-A181 CarbonylContact C-O 3.53Å; L176-A181 VanDerWaalsContact CA-O 3.27Å; L176-A181 WeakPolarHBondContact CA-O 3.43Å; L176-E182 HydrophobicContact CD2-CG 3.96Å; L176-Q183 PolarHBondContact O-NE2 3.04Å
177D90.8Very high94.8Very high65 Ų6549.2 Ų49.235%0.34824%0.243SC..  trans-80.7-174170.473.94.5000112H179 R180 A181 Q183D177-H179 PolarHBondContact O-N 3.34Å; D177-H179 VanDerWaalsContact OD1-C 3.27Å; D177-H179 VanDerWaalsContact OD1-CA 3.26Å; D177-H179 WeakPolarHBondContact OD1-CA 3.45Å; D177-H179 WeakPolarHBondContact OD1-CB 3.25Å; D177-H179 PolarHBondContact OD1-N 2.98Å; D177-R180 PolarHBondContact O-N 2.9Å; D177-R180 VanDerWaalsContact O-N 3.08Å; D177-R180 PolarHBondContact OD1-N 2.97Å; D177-A181 PolarHBondContact N-O 3.24Å; D177-A181 PolarHBondContact OD1-N 2.77Å; D177-Q183 HydrophobicContact CB-CG 4.33Å
178T91.8Very high95Very high133 Ų13349.1 Ų49.182%0.81624%0.242SC*.THydrogen-bonded Turntrans-63.2-19.1177.949.10000113.9
179H88.8Confident94.9Very high157 Ų15749 Ų4973%0.72724%0.242SC*.THydrogen-bonded Turntrans-986.7178.3-60.1-72.1000112.7D177 A181D177-H179 PolarHBondContact O-N 3.34Å; D177-H179 VanDerWaalsContact OD1-C 3.27Å; D177-H179 VanDerWaalsContact OD1-CA 3.26Å; D177-H179 WeakPolarHBondContact OD1-CA 3.45Å; D177-H179 WeakPolarHBondContact OD1-CB 3.25Å; D177-H179 PolarHBondContact OD1-N 2.98Å; H179-A181 PolarHBondContact O-N 2.68Å
180R88.4Confident94.8Very high212 Ų21249.4 Ų49.480%0.825%0.245SC*.SBendtrans6323.3-175.6-56.1-178.8169.7-177.2-2.8113.8L176 D177L176-R180 HydrophobicContact CD1-CB 4.48Å; D177-R180 PolarHBondContact O-N 2.9Å; D177-R180 VanDerWaalsContact O-N 3.08Å; D177-R180 PolarHBondContact OD1-N 2.97Å
181A90.4Very high94.3Very high31 Ų3149.5 Ų49.526%0.25625%0.246SC..PPolyproline II helixtrans-90.1146.5169.500000110L176 D177 H179L176-A181 CarbonylContact C-O 3.53Å; L176-A181 VanDerWaalsContact CA-O 3.27Å; L176-A181 WeakPolarHBondContact CA-O 3.43Å; D177-A181 PolarHBondContact N-O 3.24Å; D177-A181 PolarHBondContact OD1-N 2.77Å; H179-A181 PolarHBondContact O-N 2.68Å
182E95.3Very high93.3Very high24 Ų2452.9 Ų52.911%0.11227%0.267CS..BIsolated β-bridgetrans-63142.7176.3-64.983.1171.300111.7R127 L142 T174 F175 L176 N186 F187R127-E182 IonicContact CZ-OE1 3.97Å; R127-E182 IonicContact CZ-OE2 2.98Å; R127-E182 IonicContact NH1-OE1 3.42Å; R127-E182 PolarHBondContact NH1-OE1 2.76Å; R127-E182 IonicContact NH1-OE2 3.74Å; R127-E182 IonicContact NH2-OE1 2.79Å; R127-E182 PolarHBondContact NH2-OE1 2.76Å; R127-E182 IonicContact NH2-OE2 3.6Å; R127-E182 PolarHBondContact NH2-OE2 2.94Å; L142-E182 HydrophobicContact CD1-CB 4.44Å; L142-E182 HydrophobicContact CD1-CG 3.91Å; L142-E182 HydrophobicContact CD2-CB 4.06Å; L142-E182 HydrophobicContact CD2-CG 4.13Å; T174-E182 HydrophobicContact CG2-CG 3.68Å; F175-E182 CarbonylContact O-C 3.4Å; F175-E182 WeakPolarHBondContact O-CA 3.3Å; L176-E182 HydrophobicContact CD2-CG 3.96Å; E182-N186 HydrophobicContact CB-CB 4.3Å; E182-F187 HydrophobicContact CB-CE1 3.89Å; E182-F187 HydrophobicContact CB-CZ 4.2Å; E182-F187 WeakPolarHBondContact O-CZ 3.36Å
183Q94.8Very high91.7Very high71 Ų7156.8 Ų56.833%0.33229%0.294SS..PPolyproline II helixtrans-84.7167.3-179.7-64.6-176.52100112.4F175 L176 D177 V185 N186F175-Q183 HydrophobicContact CB-CB 4.13Å; F175-Q183 HydrophobicContact CB-CG 4.21Å; F175-Q183 PolarHBondContact O-N 3.4Å; L176-Q183 PolarHBondContact O-NE2 3.04Å; D177-Q183 HydrophobicContact CB-CG 4.33Å; Q183-V185 HydrophobicContact CB-CG2 4.06Å; Q183-V185 PolarHBondContact O-N 3.41Å; Q183-V185 VanDerWaalsContact O-N 3.16Å; Q183-N186 WeakPolarHBondContact O-CB 3.39Å; Q183-N186 PolarHBondContact O-N 2.88Å
184D94.4Very high89.5Confident54 Ų5457.2 Ų57.229%0.28930%0.299SS..G310 helixtrans-57.3-29.3178.871.7-49000114N4 G6 G7 R10 N186 F187N4-D184 PolarHBondContact ND2-O 2.86Å; G6-D184 VanDerWaalsContact C-OD2 3.31Å; G7-D184 WeakPolarHBondContact CA-OD2 3.27Å; G7-D184 PolarHBondContact N-OD2 3.26Å; G7-D184 VanDerWaalsContact N-OD2 3.17Å; R10-D184 IonicContact CZ-OD2 2.74Å; R10-D184 IonicContact NE-OD2 3.77Å; R10-D184 PolarHBondContact NH2-O 3.3Å; R10-D184 IonicContact NH2-OD2 2.85Å; R10-D184 PolarHBondContact NH2-OD2 2.92Å; D184-N186 PolarHBondContact O-N 3.44Å; D184-F187 PolarHBondContact O-N 2.8Å
185V95.8Very high87.1Confident12 Ų1262.1 Ų62.17%0.07333%0.331CS..G310 helixtrans-60.7-23.5174-59.60000113.2N4 A153 V154 F175 Q183N4-V185 PolarHBondContact ND2-O 3.18Å; N4-V185 VanDerWaalsContact ND2-O 3.13Å; A153-V185 VanDerWaalsContact CA-O 3.23Å; A153-V185 WeakPolarHBondContact CA-O 3.45Å; V154-V185 PolarHBondContact N-O 3.25Å; V154-V185 VanDerWaalsContact N-O 3.14Å; V154-V185 WeakPolarHBondContact O-CB 3.27Å; F175-V185 HydrophobicContact CB-CG2 3.75Å; F175-V185 HydrophobicContact CD2-CG2 3.53Å; F175-V185 HydrophobicContact CE2-CG2 4.33Å; F175-V185 HydrophobicContact CG-CG2 3.74Å; Q183-V185 HydrophobicContact CB-CG2 4.06Å; Q183-V185 PolarHBondContact O-N 3.41Å; Q183-V185 VanDerWaalsContact O-N 3.16Å
186N97.2Very high84.8Confident1 Ų164.2 Ų64.21%0.00536%0.356CS..G310 helixtrans-94.4-12.4178.6-73116.2000114.6L142 L152 A153 H173 F175 E182 Q183 D184L142-N186 HydrophobicContact CD2-CB 3.83Å; L142-N186 WeakPolarHBondContact CD2-O 3.37Å; L152-N186 WeakPolarHBondContact O-CA 3.49Å; L152-N186 PolarHBondContact O-ND2 2.77Å; A153-N186 WeakPolarHBondContact CB-ND2 3.48Å; H173-N186 PolarHBondContact O-ND2 3.12Å; F175-N186 WeakPolarHBondContact CA-OD1 3.39Å; F175-N186 WeakPolarHBondContact CB-OD1 3.49Å; F175-N186 PolarHBondContact N-OD1 2.66Å; F175-N186 PolarHBondContact O-OD1 2.86Å; E182-N186 HydrophobicContact CB-CB 4.3Å; Q183-N186 WeakPolarHBondContact O-CB 3.39Å; Q183-N186 PolarHBondContact O-N 2.88Å; D184-N186 PolarHBondContact O-N 3.44Å
187F96.4Very high82.1Confident32 Ų3263.4 Ų63.414%0.1437%0.367CS..EExtended strand (participates in β ladder)trans-85.9128.1-176.1-63.8-34.4000112N4 F122 K140 L142 E182 D184N4-F187 PolarHBondContact ND2-O 3.39Å; F122-F187 HydrophobicContact CB-CD1 4.08Å; F122-F187 HydrophobicContact CB-CE1 4.01Å; K140-F187 HydrophobicContact CD-CB 3.85Å; K140-F187 HydrophobicContact CD-CD1 4.07Å; K140-F187 HydrophobicContact CD-CD2 3.69Å; K140-F187 HydrophobicContact CD-CE2 4.28Å; K140-F187 HydrophobicContact CD-CG 3.61Å; K140-F187 HydrophobicContact CG-CB 3.79Å; K140-F187 HydrophobicContact CG-CD1 4.28Å; K140-F187 HydrophobicContact CG-CG 3.97Å; L142-F187 HydrophobicContact CD2-CD1 3.65Å; L142-F187 HydrophobicContact CD2-CE1 3.84Å; L142-F187 HydrophobicContact CG-CD1 4.33Å; L142-F187 HydrophobicContact CG-CE1 4.39Å; E182-F187 HydrophobicContact CB-CE1 3.89Å; E182-F187 HydrophobicContact CB-CZ 4.2Å; E182-F187 WeakPolarHBondContact O-CZ 3.36Å; D184-F187 PolarHBondContact O-N 2.8Å
188W96.8Very high79.9Confident0 Ų065 Ų650%038%0.376CS..EExtended strand (participates in β ladder)trans-123157.9179.2-63.287000110.8L2 V3 N4 L15 K140 V141 V143 L152 V154L2-W188 HydrophobicContact CB-CE3 3.89Å; L2-W188 HydrophobicContact CB-CZ3 4.29Å; V3-W188 CarbonylContact O-C 3.32Å; V3-W188 WeakPolarHBondContact O-CA 3.26Å; N4-W188 HydrophobicContact CB-CD2 4.25Å; N4-W188 HydrophobicContact CB-CE3 3.9Å; N4-W188 HydrophobicContact CB-CH2 4.16Å; N4-W188 HydrophobicContact CB-CZ2 4.46Å; N4-W188 HydrophobicContact CB-CZ3 3.86Å; L15-W188 HydrophobicContact CB-CH2 4.36Å; L15-W188 HydrophobicContact CB-CZ3 4.01Å; K140-W188 CarbonylContact C-O 3.57Å; K140-W188 WeakPolarHBondContact CA-O 3.13Å; V141-W188 WeakPolarHBondContact CG2-O 3.29Å; V141-W188 PolarHBondContact N-O 3.24Å; V141-W188 PolarHBondContact O-N 2.7Å; V143-W188 HydrophobicContact CG2-CB 4.02Å; V143-W188 HydrophobicContact CG2-CG 4.12Å; L152-W188 HydrophobicContact CD2-CD2 4.21Å; L152-W188 HydrophobicContact CD2-CH2 4.32Å; L152-W188 HydrophobicContact CD2-CZ2 3.76Å; L152-W188 HydrophobicContact CG-CZ2 3.72Å; L152-W188 PolarHBondContact O-NE1 2.84Å; V154-W188 HydrophobicContact CB-CH2 4.07Å; V154-W188 HydrophobicContact CB-CZ2 4.12Å; V154-W188 HydrophobicContact CG1-CH2 4.01Å; V154-W188 HydrophobicContact CG1-CZ2 4.06Å
189I95.1Very high77.9Confident11 Ų1160.2 Ų60.26%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-121126.2170.8-65.2-173.1000107.7V3 V5 N138 G191 F202V3-I189 HydrophobicContact CB-CB 4.49Å; V3-I189 PolarHBondContact N-O 3.24Å; V3-I189 PolarHBondContact O-N 2.78Å; V5-I189 HydrophobicContact CG2-CD1 3.32Å; V5-I189 HydrophobicContact CG2-CG1 3.9Å; N138-I189 HydrophobicContact CB-CG2 4.48Å; I189-G191 PolarHBondContact O-N 3.28Å; I189-G191 VanDerWaalsContact O-N 3.14Å; I189-F202 HydrophobicContact CD1-CE1 3.4Å; I189-F202 VanDerWaalsContact CD1-CE1 3.4Å; I189-F202 HydrophobicContact CD1-CE2 4.25Å; I189-F202 HydrophobicContact CD1-CZ 3.23Å; I189-F202 HydrophobicContact CG2-CD1 4.27Å; I189-F202 HydrophobicContact CG2-CE1 4.01Å
190L92.6Very high76.3Confident14 Ų1454.3 Ų54.37%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-80.888.6171.7-62.1176.7000108.8L2 I119 V135 N138 V141 T192L2-L190 HydrophobicContact CD1-CD2 3.82Å; L2-L190 HydrophobicContact CD2-CD2 4.46Å; L2-L190 HydrophobicContact CG-CD2 3.81Å; I119-L190 HydrophobicContact CD1-CD1 3.96Å; I119-L190 HydrophobicContact CG1-CD1 4.11Å; V135-L190 HydrophobicContact CG1-CD1 4.01Å; N138-L190 PolarHBondContact N-O 3Å; V141-L190 HydrophobicContact CG2-CD1 4.43Å; V141-L190 HydrophobicContact CG2-CG 4.17Å; L190-T192 PolarHBondContact O-N 2.74Å
191G87.1Confident74.5Confident4 Ų447.8 Ų47.84%0.04131%0.308CS..  trans-74.6110.4175.400000111M1 I189M1-G191 PolarHBondContact N-O 3.1Å; M1-G191 PolarHBondContact O-N 2.73Å; I189-G191 PolarHBondContact O-N 3.28Å; I189-G191 VanDerWaalsContact O-N 3.14Å
192T77.7Confident72.8Confident71 Ų7149.2 Ų49.244%0.43631%0.308SS..  trans-108.2149.6172.662.20000110.2A137 L190 L200A137-T192 HydrophobicContact CB-CG2 4.41Å; A137-T192 WeakPolarHBondContact CB-OG1 3.48Å; L190-T192 PolarHBondContact O-N 2.74Å; T192-L200 WeakPolarHBondContact O-CD2 3.27Å
193S64.3Low70.8Confident83 Ų8349 Ų4958%0.5831%0.307SS*.  trans-74.1136.5165.652.90000108.9P195S193-P195 WeakPolarHBondContact O-CD 2.98Å
194D53.5Low68.6Low71 Ų7153.2 Ų53.238%0.3832%0.32SS..  trans-58.5126.2171.7-1770.8000110.2A196 G197 D198D194-A196 PolarHBondContact O-N 2.95Å; D194-A196 VanDerWaalsContact O-N 3.16Å; D194-A196 WeakPolarHBondContact OD1-CB 3.07Å; D194-A196 PolarHBondContact OD1-N 3.02Å; D194-G197 PolarHBondContact O-N 3.25Å; D194-G197 VanDerWaalsContact O-N 3.15Å; D194-D198 WeakPolarHBondContact CB-O 3.29Å
195P46.1Very low66.5Low133 Ų13357 Ų5786%0.86434%0.336SS*.THydrogen-bonded Turntrans-54.2-24.8170.3-23.331.8000114.1S193 G197S193-P195 WeakPolarHBondContact O-CD 2.98Å; P195-G197 VanDerWaalsContact C-N 3.32Å
196A48.7Very low64.2Low87 Ų8757.3 Ų57.372%0.71934%0.337SS*.THydrogen-bonded Turntrans-83.60.9179.700000114.7D194D194-A196 PolarHBondContact O-N 2.95Å; D194-A196 VanDerWaalsContact O-N 3.16Å; D194-A196 WeakPolarHBondContact OD1-CB 3.07Å; D194-A196 PolarHBondContact OD1-N 3.02Å
197G39.1Very low61.9Low65 Ų6563.1 Ų63.167%0.6736%0.364SS*.SBendtrans98.1-6.6171.200000115.8D194 P195 G199D194-G197 PolarHBondContact O-N 3.25Å; D194-G197 VanDerWaalsContact O-N 3.15Å; P195-G197 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 3.42Å; G197-G199 VanDerWaalsContact O-N 3.12Å
198D44.6Very low59.2Low99 Ų9967.3 Ų67.353%0.52939%0.392SS..  trans-85.778170.7-90.7-23.8000110.5D194 L201D194-D198 WeakPolarHBondContact CB-O 3.29Å; D198-L201 HydrophobicContact CB-CD1 4.1Å; D198-L201 HydrophobicContact CB-CG 4.35Å
199G50Low56.4Low33 Ų3375 Ų7534%0.3443%0.428SS..THydrogen-bonded Turntrans-53.3139.2-176.600000114.4G197 L201G197-G199 PolarHBondContact O-N 3.42Å; G197-G199 VanDerWaalsContact O-N 3.12Å; G199-L201 VanDerWaalsContact C-N 3.25Å; G199-L201 PolarHBondContact O-N 3.1Å
200L54.5Low53.5Low32 Ų3280.2 Ų80.217%0.16845%0.452CS..THydrogen-bonded Turntrans35.244161.9-64.4164.4000116.1T192 F202 L203T192-L200 WeakPolarHBondContact O-CD2 3.27Å; L200-F202 PolarHBondContact O-N 3.37Å; L200-F202 VanDerWaalsContact O-N 3.09Å; L200-L203 HydrophobicContact CB-CB 4.39Å; L200-L203 HydrophobicContact CB-CD1 3.61Å; L200-L203 HydrophobicContact CB-CG 3.93Å; L200-L203 HydrophobicContact CD1-CD1 3.6Å; L200-L203 HydrophobicContact CD2-CD1 3.9Å; L200-L203 HydrophobicContact CD2-CG 4.36Å; L200-L203 HydrophobicContact CG-CD1 3.89Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3Å
201L51.4Low50.7Low76 Ų7685.6 Ų85.640%0.39849%0.488SS..Hα-helixtrans-54.5-32.7-178.1-68.2176.5000112.9D198 G199 L203 R204 H205D198-L201 HydrophobicContact CB-CD1 4.1Å; D198-L201 HydrophobicContact CB-CG 4.35Å; G199-L201 VanDerWaalsContact C-N 3.25Å; G199-L201 PolarHBondContact O-N 3.1Å; L201-L203 VanDerWaalsContact C-N 3.25Å; L201-L203 PolarHBondContact O-N 3.25Å; L201-R204 WeakPolarHBondContact O-CB 3.41Å; L201-R204 PolarHBondContact O-N 3.01Å; L201-R204 VanDerWaalsContact O-N 3.1Å; L201-H205 PolarHBondContact O-CD2 3.35Å; L201-H205 PolarHBondContact O-N 3.19Å
202F53.9Low48.2Very low60 Ų6095.4 Ų95.426%0.26355%0.547SS..Hα-helixtrans-56.4-36.8174.6-178.2-101.9000113.2N138 I189 L200 R204 H205 L206N138-F202 HydrophobicContact CB-CB 4.17Å; N138-F202 HydrophobicContact CB-CD2 4.44Å; N138-F202 HydrophobicContact CB-CG 4.19Å; I189-F202 HydrophobicContact CD1-CE1 3.4Å; I189-F202 VanDerWaalsContact CD1-CE1 3.4Å; I189-F202 HydrophobicContact CD1-CE2 4.25Å; I189-F202 HydrophobicContact CD1-CZ 3.23Å; I189-F202 HydrophobicContact CG2-CD1 4.27Å; I189-F202 HydrophobicContact CG2-CE1 4.01Å; L200-F202 PolarHBondContact O-N 3.37Å; L200-F202 VanDerWaalsContact O-N 3.09Å; F202-R204 VanDerWaalsContact C-N 3.35Å; F202-R204 PolarHBondContact O-N 3.17Å; F202-H205 PolarHBondContact O-N 3.29Å; F202-L206 HydrophobicContact CD1-CD1 4.1Å; F202-L206 HydrophobicContact CE1-CD1 3.49Å; F202-L206 VanDerWaalsContact CE1-CD1 3.49Å; F202-L206 HydrophobicContact CE1-CG 4.11Å; F202-L206 HydrophobicContact CZ-CD1 4.05Å; F202-L206 HydrophobicContact CZ-CD2 4.43Å; F202-L206 HydrophobicContact CZ-CG 4.3Å; F202-L206 PolarHBondContact O-N 3.49Å
203L52.1Low46.8Very low19 Ų1996.7 Ų96.710%0.09955%0.553CS.*Hα-helixtrans-73.7-27.4179.5-56-179.7000112.9M1 V3 I44 L200 L201 H205 L206 H207M1-L203 HydrophobicContact CE-CD1 3.34Å; M1-L203 HydrophobicContact CE-CD2 4.23Å; M1-L203 HydrophobicContact CE-CG 4.36Å; V3-L203 HydrophobicContact CG2-CD2 4.25Å; I44-L203 HydrophobicContact CD1-CD2 4.02Å; I44-L203 HydrophobicContact CG2-CB 4.38Å; I44-L203 HydrophobicContact CG2-CD1 3.49Å; I44-L203 VanDerWaalsContact CG2-CD1 3.49Å; I44-L203 HydrophobicContact CG2-CD2 3.43Å; I44-L203 VanDerWaalsContact CG2-CD2 3.43Å; I44-L203 HydrophobicContact CG2-CG 3.92Å; L200-L203 HydrophobicContact CB-CB 4.39Å; L200-L203 HydrophobicContact CB-CD1 3.61Å; L200-L203 HydrophobicContact CB-CG 3.93Å; L200-L203 HydrophobicContact CD1-CD1 3.6Å; L200-L203 HydrophobicContact CD2-CD1 3.9Å; L200-L203 HydrophobicContact CD2-CG 4.36Å; L200-L203 HydrophobicContact CG-CD1 3.89Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3Å; L201-L203 VanDerWaalsContact C-N 3.25Å; L201-L203 PolarHBondContact O-N 3.25Å; L203-H205 VanDerWaalsContact C-N 3.32Å; L203-L206 HydrophobicContact CD2-CD1 4.4Å; L203-L206 PolarHBondContact O-N 2.74Å; L203-H207 PolarHBondContact O-N 2.81Å; L203-H207 VanDerWaalsContact O-N 3.11Å
204R49.6Very low45.8Very low160 Ų16097.4 Ų97.460%0.60455%0.551SS**Hα-helixtrans-65.6-39.2174.8-66-174.9178.6169.41.9110.4L201 F202 H207 V208L201-R204 WeakPolarHBondContact O-CB 3.41Å; L201-R204 PolarHBondContact O-N 3.01Å; L201-R204 VanDerWaalsContact O-N 3.1Å; F202-R204 VanDerWaalsContact C-N 3.35Å; F202-R204 PolarHBondContact O-N 3.17Å; R204-H207 PolarHBondContact O-N 2.85Å; R204-V208 VanDerWaalsContact O-CG2 3.32Å; R204-V208 WeakPolarHBondContact O-CG2 3.45Å; R204-V208 PolarHBondContact O-N 3.28Å
205H49.9Very low45.4Very low135 Ų13598.8 Ų98.863%0.62556%0.561SS**Hα-helixtrans-67.2-36.7176.3-71.5-68.2000113L201 F202 L203 H207 V208L201-H205 PolarHBondContact O-CD2 3.35Å; L201-H205 PolarHBondContact O-N 3.19Å; F202-H205 PolarHBondContact O-N 3.29Å; L203-H205 VanDerWaalsContact C-N 3.32Å; H205-H207 VanDerWaalsContact C-N 3.33Å; H205-H207 PolarHBondContact O-N 3.35Å; H205-V208 PolarHBondContact O-N 3.22Å
206L48.1Very low45.4Very low17 Ų1796.8 Ų96.89%0.08954%0.543CS..Hα-helixtrans-67.1-31.9173.7-68.2177.9000112.9V5 I44 F202 L203V5-L206 HydrophobicContact CG1-CD2 4.01Å; I44-L206 HydrophobicContact CD1-CB 4.34Å; I44-L206 HydrophobicContact CD1-CD1 3.74Å; F202-L206 HydrophobicContact CD1-CD1 4.1Å; F202-L206 HydrophobicContact CE1-CD1 3.49Å; F202-L206 VanDerWaalsContact CE1-CD1 3.49Å; F202-L206 HydrophobicContact CE1-CG 4.11Å; F202-L206 HydrophobicContact CZ-CD1 4.05Å; F202-L206 HydrophobicContact CZ-CD2 4.43Å; F202-L206 HydrophobicContact CZ-CG 4.3Å; F202-L206 PolarHBondContact O-N 3.49Å; L203-L206 HydrophobicContact CD2-CD1 4.4Å; L203-L206 PolarHBondContact O-N 2.74Å
207H47.6Very low45.2Very low124 Ų12497.4 Ų97.457%0.57453%0.532SS*.Hα-helixtrans-71.1-28.7175.8-117.970.8000113.5L203 R204 H205 Q209L203-H207 PolarHBondContact O-N 2.81Å; L203-H207 VanDerWaalsContact O-N 3.11Å; R204-H207 PolarHBondContact O-N 2.85Å; H205-H207 VanDerWaalsContact C-N 3.33Å; H205-H207 PolarHBondContact O-N 3.35Å; H207-Q209 VanDerWaalsContact C-N 3.32Å; H207-Q209 PolarHBondContact O-N 2.86Å
208V41.2Very low45.6Very low119 Ų11999.6 Ų99.672%0.72152%0.523SS*.Hα-helixtrans-78.3-16-176.4172.70000112.4R204 H205R204-V208 VanDerWaalsContact O-CG2 3.32Å; R204-V208 WeakPolarHBondContact O-CG2 3.45Å; R204-V208 PolarHBondContact O-N 3.28Å; H205-V208 PolarHBondContact O-N 3.22Å
209Q37Very low45.6Very low163 Ų16399.6 Ų99.676%0.76252%0.523SS*.THydrogen-bonded Turntrans-90.85.4-176.8-69-169.3-16.400115.1H207H207-Q209 VanDerWaalsContact C-N 3.32Å; H207-Q209 PolarHBondContact O-N 2.86Å
210Q35.2Very low45.3Very low120 Ų120104.8 Ų104.856%0.56154%0.537SS*.  trans-88.2122.8171.7-74.1-174.4-35.500110.7
211P32.5Very low44.5Very low126 Ų126110.8 Ų110.882%0.81857%0.567SS**  trans-71.7136.7167.816.4-6.8000109.6
212T35.9Very low43.9Very low211 Ų211114 Ų114100%1.29458%0.583SS**  trans-56.90168.747.10000112.9

Retrieved 212 of 212 residues in 78.1 ms (Link to these results)

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