A0A087Y6T5_POEFO Loading...

Ribosomal protein

AlphaFold DB (A0A3B3UC53), UniProt , Accession A0A087Y6T5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M46.3Very low77.6Confident230 Ų23089.3 Ų89.3100%1.13344%0.437SS*.  0127.90-73.1-166.1-90.100109.1K3M1-K3 PolarHBondContact O-N 3.24Å
2S58.1Low78.4Confident40 Ų4082.6 Ų82.628%0.2841%0.407SS..  trans-62.8130.5172.6168.80000108.6V4S2-V4 PolarHBondContact OG-N 3.13Å; S2-V4 VanDerWaalsContact OG-N 3.1Å; S2-V4 PolarHBondContact OG-O 3.43Å
3K71.8Confident79.1Confident133 Ų13376.5 Ų76.558%0.57838%0.377SS*.SBendtrans-76.5-11.3171.8-77.6-162.8172.1-165.80112.9M1 W197 Y216M1-K3 PolarHBondContact O-N 3.24Å; K3-W197 HydrophobicContact CB-CD2 3.9Å; K3-W197 HydrophobicContact CB-CE3 4Å; K3-W197 HydrophobicContact CB-CH2 4.31Å; K3-W197 HydrophobicContact CB-CZ2 4.16Å; K3-W197 HydrophobicContact CB-CZ3 4.2Å; K3-W197 HydrophobicContact CD-CB 4.14Å; K3-W197 HydrophobicContact CD-CD2 4.12Å; K3-W197 HydrophobicContact CD-CE3 4.34Å; K3-W197 HydrophobicContact CD-CG 4.01Å; K3-W197 HydrophobicContact CG-CD2 3.99Å; K3-W197 HydrophobicContact CG-CE3 4.44Å; K3-W197 HydrophobicContact CG-CG 4.07Å; K3-Y216 HydrophobicContact CB-CE2 4.26Å; K3-Y216 HydrophobicContact CD-CE2 4.13Å
4V77.3Confident79.8Confident10 Ų1078.4 Ų78.46%0.06138%0.382CS..SBendtrans-87.9121.2176.5-166.10000107.4S2 L9 V186 W197 L203 L215S2-V4 PolarHBondContact OG-N 3.13Å; S2-V4 VanDerWaalsContact OG-N 3.1Å; S2-V4 PolarHBondContact OG-O 3.43Å; V4-L9 HydrophobicContact CB-CD1 4.33Å; V4-L9 HydrophobicContact CG1-CD1 3.8Å; V4-L9 HydrophobicContact CG1-CD2 4.12Å; V4-L9 HydrophobicContact CG1-CG 3.62Å; V4-V186 HydrophobicContact CG2-CG1 4.4Å; V4-W197 HydrophobicContact CG2-CH2 3.5Å; V4-W197 VanDerWaalsContact CG2-CH2 3.5Å; V4-W197 HydrophobicContact CG2-CZ2 4.34Å; V4-W197 HydrophobicContact CG2-CZ3 4.13Å; V4-L203 HydrophobicContact CG2-CD1 4.04Å; V4-L215 HydrophobicContact CG1-CB 4.36Å
5S82.3Confident80.3Confident54 Ų5479.6 Ų79.638%0.37839%0.387SS..  trans-64.5147.7173.6-175.90000109.9D7 T8 L9S5-D7 VanDerWaalsContact C-N 3.28Å; S5-D7 PolarHBondContact OG-N 2.89Å; S5-T8 PolarHBondContact O-OG1 2.99Å; S5-T8 VanDerWaalsContact O-OG1 3.05Å; S5-L9 PolarHBondContact O-N 3.28Å
6R82.3Confident80.7Confident164 Ų16475.1 Ų75.162%0.61937%0.366SS*.Hα-helixtrans-66.7-36.3174.3-169.3172.8-179.8-166.8-9.8110.6L9 Y10R6-L9 WeakPolarHBondContact O-CB 3.2Å; R6-L9 PolarHBondContact O-N 3.32Å; R6-Y10 HydrophobicContact CG-CD2 3.93Å; R6-Y10 HydrophobicContact CG-CE2 3.64Å; R6-Y10 PolarHBondContact NH2-OH 3.45Å; R6-Y10 VanDerWaalsContact NH2-OH 3.08Å; R6-Y10 WeakPolarHBondContact O-CD2 3.48Å; R6-Y10 PolarHBondContact O-N 2.84Å; R6-Y10 VanDerWaalsContact O-N 3.1Å
7D84.3Confident80.9Confident109 Ų10971.9 Ų71.958%0.58335%0.351SS*.Hα-helixtrans-66.9-44.1-178.3-51.5-43.1000111.4S5 L9 Y10 E11S5-D7 VanDerWaalsContact C-N 3.28Å; S5-D7 PolarHBondContact OG-N 2.89Å; D7-L9 PolarHBondContact O-N 3.46Å; D7-Y10 PolarHBondContact O-N 2.97Å; D7-Y10 VanDerWaalsContact O-N 3.14Å; D7-E11 WeakPolarHBondContact O-CG 3.4Å; D7-E11 PolarHBondContact O-N 3.47Å
8T85.8Confident81.2Confident58 Ų5873.9 Ų73.936%0.35636%0.359SS..Hα-helixtrans-65.6-29.3177.259.50000112.5S5 A12S5-T8 PolarHBondContact O-OG1 2.99Å; S5-T8 VanDerWaalsContact O-OG1 3.05Å; T8-A12 VanDerWaalsContact O-CB 3.22Å; T8-A12 WeakPolarHBondContact O-CB 3.46Å; T8-A12 PolarHBondContact O-N 3.08Å
9L86.4Confident81.1Confident3 Ų371.9 Ų71.92%0.01636%0.36CS..Hα-helixtrans-68-45172.2-81.3161.8000111.8V4 S5 R6 D7 A12 V13 V179 I182 I205 L215V4-L9 HydrophobicContact CB-CD1 4.33Å; V4-L9 HydrophobicContact CG1-CD1 3.8Å; V4-L9 HydrophobicContact CG1-CD2 4.12Å; V4-L9 HydrophobicContact CG1-CG 3.62Å; S5-L9 PolarHBondContact O-N 3.28Å; R6-L9 WeakPolarHBondContact O-CB 3.2Å; R6-L9 PolarHBondContact O-N 3.32Å; D7-L9 PolarHBondContact O-N 3.46Å; L9-A12 PolarHBondContact O-N 3.19Å; L9-V13 WeakPolarHBondContact O-CB 3.44Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.49Å; L9-V179 HydrophobicContact CB-CG1 4.18Å; L9-V179 HydrophobicContact CB-CG2 4.46Å; L9-I182 HydrophobicContact CD2-CB 4.26Å; L9-I182 HydrophobicContact CD2-CG2 3.46Å; L9-I182 VanDerWaalsContact CD2-CG2 3.46Å; L9-I205 HydrophobicContact CD2-CD1 4.39Å; L9-L215 HydrophobicContact CD2-CD1 3.78Å; L9-L215 HydrophobicContact CD2-CD2 3.69Å; L9-L215 HydrophobicContact CD2-CG 4.36Å; L9-L215 HydrophobicContact CG-CD2 4.24Å
10Y89.3Confident81.1Confident54 Ų5469 Ų6921%0.21235%0.346CS..Hα-helixtrans-63.2-46.1177.6-84.3-74.6000111.7R6 D7 A12 V13 K14 D176 V179R6-Y10 HydrophobicContact CG-CD2 3.93Å; R6-Y10 HydrophobicContact CG-CE2 3.64Å; R6-Y10 PolarHBondContact NH2-OH 3.45Å; R6-Y10 VanDerWaalsContact NH2-OH 3.08Å; R6-Y10 WeakPolarHBondContact O-CD2 3.48Å; R6-Y10 PolarHBondContact O-N 2.84Å; R6-Y10 VanDerWaalsContact O-N 3.1Å; D7-Y10 PolarHBondContact O-N 2.97Å; D7-Y10 VanDerWaalsContact O-N 3.14Å; Y10-A12 PolarHBondContact O-N 2.88Å; Y10-V13 PolarHBondContact O-N 3.24Å; Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.29Å; Y10-K14 PolarHBondContact O-N 3.28Å; Y10-D176 WeakPolarHBondContact CE1-OD1 3.43Å; Y10-D176 VanDerWaalsContact CZ-OD1 3.31Å; Y10-D176 PolarHBondContact OH-OD1 3.02Å; Y10-V179 HydrophobicContact CD1-CG2 3.83Å; Y10-V179 HydrophobicContact CE1-CB 4.41Å; Y10-V179 HydrophobicContact CE1-CG2 3.93Å; Y10-V179 HydrophobicContact CE2-CG1 4.2Å; Y10-V179 HydrophobicContact CG-CG2 4.13Å
11E89.6Confident81.1Confident127 Ų12771 Ų7159%0.59336%0.362SS*.Hα-helixtrans-59-49.6176.7-72177.517300111.4D7 V13 K14 E15D7-E11 WeakPolarHBondContact O-CG 3.4Å; D7-E11 PolarHBondContact O-N 3.47Å; E11-V13 PolarHBondContact O-N 3.15Å; E11-K14 PolarHBondContact O-N 2.93Å; E11-E15 WeakPolarHBondContact O-CG 3.31Å; E11-E15 PolarHBondContact O-N 3Å
12A87.8Confident82.8Confident9 Ų965.4 Ų65.47%0.07434%0.341CS..Hα-helixtrans-63.1-40.5179.900000112.7T8 L9 Y10 V16 I205 Q213 L215T8-A12 VanDerWaalsContact O-CB 3.22Å; T8-A12 WeakPolarHBondContact O-CB 3.46Å; T8-A12 PolarHBondContact O-N 3.08Å; L9-A12 PolarHBondContact O-N 3.19Å; Y10-A12 PolarHBondContact O-N 2.88Å; A12-V16 VanDerWaalsContact O-CG2 3.24Å; A12-V16 WeakPolarHBondContact O-CG2 3.13Å; A12-V16 PolarHBondContact O-N 3.17Å; A12-V16 VanDerWaalsContact O-N 3.08Å; A12-I205 HydrophobicContact CB-CD1 4.28Å; A12-Q213 HydrophobicContact CB-CB 4.19Å; A12-L215 HydrophobicContact CB-CD2 3.67Å
13V87.8Confident83.9Confident4 Ų470 Ų702%0.02436%0.356CS..Hα-helixtrans-65.6-43.8176.7169.30000110.6L9 Y10 E11 E15 V16 L17 E175 L178 V179 I182 I205L9-V13 WeakPolarHBondContact O-CB 3.44Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.49Å; Y10-V13 PolarHBondContact O-N 3.24Å; E11-V13 PolarHBondContact O-N 3.15Å; V13-E15 PolarHBondContact O-N 2.8Å; V13-V16 PolarHBondContact O-N 3.14Å; V13-L17 HydrophobicContact CG1-CD1 4.01Å; V13-L17 HydrophobicContact CG1-CG 4.38Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.2Å; V13-E175 HydrophobicContact CG1-CB 4.48Å; V13-E175 HydrophobicContact CG1-CG 4.38Å; V13-L178 HydrophobicContact CG1-CB 3.97Å; V13-L178 HydrophobicContact CG1-CD1 3.96Å; V13-L178 HydrophobicContact CG2-CB 4.48Å; V13-V179 HydrophobicContact CB-CG2 4.28Å; V13-V179 HydrophobicContact CG2-CG2 3.92Å; V13-I182 HydrophobicContact CG2-CD1 3.55Å; V13-I205 HydrophobicContact CG2-CD1 4.31Å
14K88.9Confident84.2Confident103 Ų10368.8 Ų68.845%0.44836%0.362SS..Hα-helixtrans-60.6-44.3178.1-171.2173.9-175.5175.30111.7Y10 E11 V16 L17 Q18Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.29Å; Y10-K14 PolarHBondContact O-N 3.28Å; E11-K14 PolarHBondContact O-N 2.93Å; K14-V16 PolarHBondContact O-N 3.44Å; K14-L17 PolarHBondContact O-N 2.97Å; K14-Q18 WeakPolarHBondContact O-CB 3.3Å; K14-Q18 VanDerWaalsContact O-CG 3.26Å; K14-Q18 WeakPolarHBondContact O-CG 3.41Å; K14-Q18 PolarHBondContact O-N 3.37Å
15E87.1Confident84.5Confident96 Ų9673.5 Ų73.545%0.44938%0.378SS..Hα-helixtrans-63.5-39.4175.6-73.7-170.3-178.700112.8E11 V13 G19 Q213E11-E15 WeakPolarHBondContact O-CG 3.31Å; E11-E15 PolarHBondContact O-N 3Å; V13-E15 PolarHBondContact O-N 2.8Å; E15-G19 PolarHBondContact O-N 3.27Å; E15-Q213 HydrophobicContact CB-CG 4.35Å; E15-Q213 PolarHBondContact OE2-NE2 3.24Å; E15-Q213 PolarHBondContact OE2-OE1 3.11Å
16V85.8Confident84.5Confident8 Ų881.7 Ų81.75%0.04841%0.407CS..Hα-helixtrans-64.2-43.2176.7170.20000110.9A12 V13 K14 G19 S20 V31 I205 Q213A12-V16 VanDerWaalsContact O-CG2 3.24Å; A12-V16 WeakPolarHBondContact O-CG2 3.13Å; A12-V16 PolarHBondContact O-N 3.17Å; A12-V16 VanDerWaalsContact O-N 3.08Å; V13-V16 PolarHBondContact O-N 3.14Å; K14-V16 PolarHBondContact O-N 3.44Å; V16-G19 PolarHBondContact O-N 2.86Å; V16-S20 PolarHBondContact O-N 3.28Å; V16-V31 HydrophobicContact CG1-CG2 4.46Å; V16-I205 HydrophobicContact CG2-CG2 4.1Å; V16-Q213 HydrophobicContact CG2-CB 4.31Å; V16-Q213 HydrophobicContact CG2-CG 3.72Å
17L85.2Confident84.6Confident21 Ų2178.7 Ų78.711%0.1140%0.399CS..Hα-helixtrans-66.7-46.5177.4-68.8175.5000111.5V13 K14 G19 S20 V21 V171 E175 L178V13-L17 HydrophobicContact CG1-CD1 4.01Å; V13-L17 HydrophobicContact CG1-CG 4.38Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.2Å; K14-L17 PolarHBondContact O-N 2.97Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.21Å; L17-S20 PolarHBondContact O-N 3.09Å; L17-S20 VanDerWaalsContact O-N 3.11Å; L17-V21 WeakPolarHBondContact O-CG2 3.26Å; L17-V21 PolarHBondContact O-N 3.21Å; L17-V171 HydrophobicContact CD2-CB 4.33Å; L17-V171 HydrophobicContact CD2-CG1 3.92Å; L17-E175 HydrophobicContact CD1-CG 3.48Å; L17-E175 VanDerWaalsContact CD1-CG 3.48Å; L17-L178 HydrophobicContact CD1-CD1 4.29Å; L17-L178 HydrophobicContact CD2-CD1 4.02Å; L17-L178 HydrophobicContact CG-CD1 4.42Å
18Q85.3Confident84.6Confident107 Ų10776.2 Ų76.250%0.539%0.387SS..Hα-helixtrans-57.6-43.8175.8-76.4178.9-1.200111.7K14 S20 V21 T22K14-Q18 WeakPolarHBondContact O-CB 3.3Å; K14-Q18 VanDerWaalsContact O-CG 3.26Å; K14-Q18 WeakPolarHBondContact O-CG 3.41Å; K14-Q18 PolarHBondContact O-N 3.37Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 3.47Å; Q18-V21 PolarHBondContact O-N 3.19Å; Q18-V21 VanDerWaalsContact O-N 3.12Å; Q18-T22 PolarHBondContact O-N 3.37Å; Q18-T22 PolarHBondContact O-OG1 3.39Å
19G80.3Confident84.5Confident37 Ų3773.7 Ų73.738%0.38137%0.372SS..Hα-helixtrans-61.5-33177.800000113.4E15 V16 L17 K23E15-G19 PolarHBondContact O-N 3.27Å; V16-G19 PolarHBondContact O-N 2.86Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.21Å; G19-K23 PolarHBondContact O-N 3.39Å
20S79.9Confident84.5Confident12 Ų1274.8 Ų74.88%0.08438%0.38CS..Hα-helixtrans-74.4-35.7174.4-165.30000112.1V16 L17 Q18 K23 P24 E29V16-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-N 3.09Å; L17-S20 VanDerWaalsContact O-N 3.11Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 3.47Å; S20-K23 CarbonylContact O-C 3.49Å; S20-K23 VanDerWaalsContact O-C 3.3Å; S20-P24 WeakPolarHBondContact O-CA 3.47Å; S20-E29 PolarHBondContact OG-OE1 3.25Å; S20-E29 VanDerWaalsContact OG-OE1 3.12Å
21V81.7Confident84.5Confident113 Ų11372.4 Ų72.469%0.68537%0.371SS*.Hα-helixtrans-67.3-38.6173.6176.30000111.8L17 Q18 K23 P24L17-V21 WeakPolarHBondContact O-CG2 3.26Å; L17-V21 PolarHBondContact O-N 3.21Å; Q18-V21 PolarHBondContact O-N 3.19Å; Q18-V21 VanDerWaalsContact O-N 3.12Å; V21-K23 VanDerWaalsContact C-N 3.3Å; V21-K23 PolarHBondContact O-N 3.46Å; V21-P24 WeakPolarHBondContact O-CD 3.18Å
22T82.4Confident84.6Confident112 Ų11268.3 Ų68.369%0.68735%0.351SS*.Hα-helixtrans-68.2-31.9-177-35.40000111.9Q18Q18-T22 PolarHBondContact O-N 3.37Å; Q18-T22 PolarHBondContact O-OG1 3.39Å
23K80.4Confident84.7Confident137 Ų13767.9 Ų67.960%0.59635%0.348SS*.SBendtrans-126.775.5176.6-69.8-173-179.6-177.50109.7G19 S20 V21 R25G19-K23 PolarHBondContact O-N 3.39Å; S20-K23 CarbonylContact O-C 3.49Å; S20-K23 VanDerWaalsContact O-C 3.3Å; V21-K23 VanDerWaalsContact C-N 3.3Å; V21-K23 PolarHBondContact O-N 3.46Å; K23-R25 WeakPolarHBondContact O-CD 3.48Å; K23-R25 PolarHBondContact O-N 3.15Å; K23-R25 PolarHBondContact O-NE 2.51Å
24P78.2Confident84.9Confident107 Ų10770.6 Ų70.670%0.69536%0.361SS*.  trans-62.8137.3-173.926.6-33.5000110.4S20 V21S20-P24 WeakPolarHBondContact O-CA 3.47Å; V21-P24 WeakPolarHBondContact O-CD 3.18Å
25R83.6Confident84.9Confident108 Ų10865.9 Ų65.941%0.40834%0.34SS..  trans-108.8151.7179.1-52.7-55.2-177.9175.34.5109.8K23 F27 E29K23-R25 WeakPolarHBondContact O-CD 3.48Å; K23-R25 PolarHBondContact O-N 3.15Å; K23-R25 PolarHBondContact O-NE 2.51Å; R25-F27 HydrophobicContact CB-CD1 4.14Å; R25-F27 HydrophobicContact CB-CE1 4.07Å; R25-F27 PolarHBondContact O-N 3.48Å; R25-E29 HydrophobicContact CG-CG 4.37Å; R25-E29 WeakPolarHBondContact CG-OE1 3.43Å
26K83.1Confident85.1Confident227 Ų22762.1 Ų62.199%0.98733%0.325SS*.SBendtrans-72.410178.1-61.7-174.7178.8-177.20113.7
27F83.4Confident85.2Confident101 Ų10162.1 Ų62.144%0.44332%0.324SS..SBendtrans-143.7157.4177.969.9-87.8000110.4R25 E29 T208 M209R25-F27 HydrophobicContact CB-CD1 4.14Å; R25-F27 HydrophobicContact CB-CE1 4.07Å; R25-F27 PolarHBondContact O-N 3.48Å; F27-E29 HydrophobicContact CE2-CG 4.03Å; F27-E29 HydrophobicContact CZ-CG 4.34Å; F27-E29 PolarHBondContact O-N 3.27Å; F27-T208 HydrophobicContact CE2-CG2 4.42Å; F27-T208 HydrophobicContact CZ-CG2 4.5Å; F27-M209 HydrophobicContact CZ-CG 4.28Å
28V83.8Confident85.4Confident56 Ų5664.9 Ų64.934%0.33934%0.335SS..  trans-74.4114.5177.2-175.50000109.4H170 K172V28-H170 HydrophobicContact CG1-CB 4.07Å; V28-K172 HydrophobicContact CG1-CD 4.4Å; V28-K172 HydrophobicContact CG1-CG 4.16Å; V28-K172 HydrophobicContact CG2-CD 4.18Å
29E83.9Confident85.3Confident5 Ų566 Ų662%0.02335%0.345CS..PPolyproline II helixtrans-71.7142.4177.7-65.8-175.6-139.400111.5S20 R25 F27 H170 V171 S207 M209S20-E29 PolarHBondContact OG-OE1 3.25Å; S20-E29 VanDerWaalsContact OG-OE1 3.12Å; R25-E29 HydrophobicContact CG-CG 4.37Å; R25-E29 WeakPolarHBondContact CG-OE1 3.43Å; F27-E29 HydrophobicContact CE2-CG 4.03Å; F27-E29 HydrophobicContact CZ-CG 4.34Å; F27-E29 PolarHBondContact O-N 3.27Å; E29-H170 WeakPolarHBondContact O-CA 3.33Å; E29-H170 WeakPolarHBondContact O-CB 3.17Å; E29-V171 HydrophobicContact CB-CG2 3.73Å; E29-V171 PolarHBondContact O-N 2.89Å; E29-S207 WeakPolarHBondContact OE2-CB 3.38Å; E29-S207 PolarHBondContact OE2-OG 2.96Å; E29-M209 PolarHBondContact OE2-N 2.84Å
30S88Confident85.4Confident27 Ų2765.1 Ų65.119%0.18933%0.33CS..EExtended strand (participates in β ladder)trans-92.5139171.2-56.80000109.7G169 S207 T208S30-G169 WeakPolarHBondContact CA-O 3.31Å; S30-S207 CarbonylContact O-C 3.59Å; S30-S207 WeakPolarHBondContact O-CA 3.39Å; S30-T208 PolarHBondContact N-OG1 3.5Å; S30-T208 VanDerWaalsContact N-OG1 3.11Å; S30-T208 PolarHBondContact O-N 2.83Å; S30-T208 PolarHBondContact O-OG1 3.48Å; S30-T208 VanDerWaalsContact O-OG1 3.11Å
31V89.4Confident85.4Confident3 Ų367.1 Ų67.12%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-90.4123.5173.1-177.50000108.1V16 A167 V168 G169 V171 L178 I205V16-V31 HydrophobicContact CG1-CG2 4.46Å; V31-A167 WeakPolarHBondContact O-CA 3.36Å; V31-V168 HydrophobicContact CB-CG2 4.48Å; V31-V168 HydrophobicContact CG1-CG2 4.06Å; V31-V168 WeakPolarHBondContact O-CG2 3.24Å; V31-V168 PolarHBondContact O-N 3.36Å; V31-G169 PolarHBondContact N-O 3.27Å; V31-G169 PolarHBondContact O-N 2.9Å; V31-V171 HydrophobicContact CG2-CG2 4.32Å; V31-L178 HydrophobicContact CB-CD2 4.31Å; V31-L178 HydrophobicContact CG2-CD2 4.23Å; V31-I205 HydrophobicContact CG1-CG2 3.54Å
32E90.7Very high85.2Confident41 Ų4163.2 Ų63.219%0.19232%0.317CS..EExtended strand (participates in β ladder)trans-112.6134.9-177.7-60.5-173.1152.300110.7V166 I205 K206E32-V166 CarbonylContact C-O 3.5Å; E32-V166 VanDerWaalsContact CA-O 3.25Å; E32-V166 WeakPolarHBondContact CA-O 3.27Å; E32-I205 WeakPolarHBondContact O-CA 3.33Å; E32-K206 HydrophobicContact CB-CG 4.3Å; E32-K206 PolarHBondContact N-O 2.84Å; E32-K206 PolarHBondContact O-N 3.01Å; E32-K206 VanDerWaalsContact OE2-CE 3.27Å; E32-K206 WeakPolarHBondContact OE2-CE 3.49Å
33L90.7Very high85Confident0 Ų066.5 Ų66.50%032%0.324CS..EExtended strand (participates in β ladder)trans-94.3119.6165.6-179.967.6000108.2I35 A165 V166 V168 I182 A185 V186 I205 L215L33-I35 HydrophobicContact CD2-CD1 4.09Å; L33-I35 HydrophobicContact CD2-CG1 4.46Å; L33-I35 HydrophobicContact CG-CD1 3.98Å; L33-I35 HydrophobicContact CG-CG1 4.24Å; L33-A165 WeakPolarHBondContact O-CA 3.31Å; L33-V166 PolarHBondContact N-O 3.35Å; L33-V166 PolarHBondContact O-N 3.32Å; L33-V168 HydrophobicContact CB-CG1 3.64Å; L33-V168 HydrophobicContact CB-CG2 4.17Å; L33-V168 HydrophobicContact CD2-CG1 4.29Å; L33-I182 HydrophobicContact CD1-CG2 4.45Å; L33-A185 HydrophobicContact CD2-CB 4.11Å; L33-V186 HydrophobicContact CD1-CG2 4.27Å; L33-V186 HydrophobicContact CD2-CG2 3.71Å; L33-I205 HydrophobicContact CD1-CG1 4.26Å; L33-L215 HydrophobicContact CD1-CD1 4.26Å
34Q91Very high85Confident62 Ų6268.4 Ų68.429%0.2933%0.333SS..EExtended strand (participates in β ladder)trans-105.6132.6172.7-61.1-170.8-20.800110L164 A165 Y204Q34-L164 CarbonylContact C-O 3.58Å; Q34-L164 VanDerWaalsContact CA-O 3.32Å; Q34-L164 WeakPolarHBondContact CA-O 3.5Å; Q34-A165 HydrophobicContact CG-CB 4.16Å; Q34-Y204 PolarHBondContact N-O 2.92Å; Q34-Y204 PolarHBondContact O-N 2.95Å
35I89.8Confident85.1Confident3 Ų366 Ų662%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-121.4133.8-179.9-54.5105.9000108.7L33 L37 F156 C163 L164 L189 V200 L203L33-I35 HydrophobicContact CD2-CD1 4.09Å; L33-I35 HydrophobicContact CD2-CG1 4.46Å; L33-I35 HydrophobicContact CG-CD1 3.98Å; L33-I35 HydrophobicContact CG-CG1 4.24Å; I35-L37 HydrophobicContact CG2-CD2 4.05Å; I35-F156 HydrophobicContact CD1-CE1 3.97Å; I35-C163 CarbonylContact O-C 3.3Å; I35-C163 VanDerWaalsContact O-CA 3.24Å; I35-C163 WeakPolarHBondContact O-CA 3.42Å; I35-L164 HydrophobicContact CD1-CB 4.39Å; I35-L164 PolarHBondContact N-O 3.38Å; I35-L164 PolarHBondContact O-N 2.87Å; I35-L189 HydrophobicContact CB-CD2 3.94Å; I35-L189 HydrophobicContact CD1-CD2 3.42Å; I35-L189 VanDerWaalsContact CD1-CD2 3.42Å; I35-L189 HydrophobicContact CG1-CD2 3.4Å; I35-L189 VanDerWaalsContact CG1-CD2 3.4Å; I35-L189 HydrophobicContact CG2-CD2 3.77Å; I35-V200 HydrophobicContact CG2-CG1 4.5Å; I35-L203 HydrophobicContact CB-CD2 3.95Å; I35-L203 HydrophobicContact CG1-CD2 3.41Å; I35-L203 VanDerWaalsContact CG1-CD2 3.41Å; I35-L203 HydrophobicContact CG2-CD2 3.71Å
36S90.2Very high84.8Confident18 Ų1870 Ų7013%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-108.4120.1168.658.30000109.7R201 A202S36-R201 WeakPolarHBondContact O-CB 3.26Å; S36-R201 PolarHBondContact O-N 3.27Å; S36-A202 PolarHBondContact N-O 2.95Å; S36-A202 WeakPolarHBondContact OG-CA 3.31Å; S36-A202 WeakPolarHBondContact OG-CB 2.89Å; S36-A202 PolarHBondContact OG-N 2.77Å; S36-A202 PolarHBondContact OG-O 2.89Å
37L87.6Confident84.7Confident8 Ų865.7 Ų65.74%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-87.9144.1174.7-58.9176000110.3I35 F48 M158 L162 L164 L193 N199I35-L37 HydrophobicContact CG2-CD2 4.05Å; L37-F48 HydrophobicContact CD1-CE1 4.19Å; L37-F48 HydrophobicContact CD1-CZ 4.19Å; L37-M158 HydrophobicContact CD1-CE 4.2Å; L37-M158 HydrophobicContact CD1-SD 4.04Å; L37-L162 HydrophobicContact CB-CB 4.41Å; L37-L162 WeakPolarHBondContact CB-O 3.22Å; L37-L162 WeakPolarHBondContact CG-O 3.41Å; L37-L162 PolarHBondContact N-O 3.01Å; L37-L164 HydrophobicContact CD1-CD1 4.19Å; L37-L193 HydrophobicContact CD1-CD2 4.3Å; L37-L193 HydrophobicContact CD2-CD1 3.75Å; L37-L193 HydrophobicContact CD2-CD2 3.95Å; L37-N199 CarbonylContact C-O 3.51Å; L37-N199 VanDerWaalsContact CA-O 3.23Å; L37-N199 WeakPolarHBondContact CA-O 3.23Å
38K89.4Confident84.6Confident78 Ų7861.8 Ų61.834%0.33930%0.295SS..  trans-119.7160169.459-178.9-176-171.70110.3Y40 Q198 N199 V200 R201K38-Y40 PolarHBondContact O-N 3.42Å; K38-Y40 VanDerWaalsContact O-N 3.15Å; K38-Q198 WeakPolarHBondContact CE-O 3.24Å; K38-N199 PolarHBondContact N-O 3.24Å; K38-V200 WeakPolarHBondContact CE-O 3.3Å; K38-R201 HydrophobicContact CB-CB 3.93Å; K38-R201 HydrophobicContact CD-CB 4.08Å; K38-R201 HydrophobicContact CD-CG 4.41Å; K38-R201 HydrophobicContact CG-CB 4.04Å
39N84.4Confident84.6Confident131 Ų13162.6 Ų62.670%0.70130%0.302SS*.SBendtrans53.836.5172.9-56.3-20.7000112.8
40Y81.6Confident84.7Confident19 Ų1962.7 Ų62.78%0.07531%0.305CS..  trans-126.5123.1179.5-158.5-78.3000108.1K38 P42 D45 K46 M158 L162K38-Y40 PolarHBondContact O-N 3.42Å; K38-Y40 VanDerWaalsContact O-N 3.15Å; Y40-P42 WeakPolarHBondContact O-CD 3.24Å; Y40-D45 HydrophobicContact CD1-CB 3.88Å; Y40-D45 HydrophobicContact CD2-CB 4.38Å; Y40-D45 HydrophobicContact CE1-CB 3.39Å; Y40-D45 HydrophobicContact CE2-CB 3.94Å; Y40-D45 HydrophobicContact CG-CB 4.37Å; Y40-D45 VanDerWaalsContact CZ-CB 3.43Å; Y40-K46 VanDerWaalsContact OH-C 3.3Å; Y40-K46 PolarHBondContact OH-O 3.23Å; Y40-M158 HydrophobicContact CD1-CE 3.21Å; Y40-M158 HydrophobicContact CD1-SD 3.74Å; Y40-M158 HydrophobicContact CE1-CE 3.37Å; Y40-M158 HydrophobicContact CE1-SD 3.3Å; Y40-M158 WeakPolarHBondContact CE1-SD 3.48Å; Y40-M158 HydrophobicContact CG-CE 4.1Å; Y40-L162 WeakPolarHBondContact O-CD2 3.34Å
41D80Confident84.6Confident53 Ų5365.6 Ų65.628%0.28332%0.322SS..  trans-101.3110.7178.9-176.3-20.5000109.1Q43 K44 D45D41-Q43 PolarHBondContact O-N 2.92Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.48Å; D41-Q43 PolarHBondContact OD1-N 2.73Å; D41-K44 HydrophobicContact CB-CB 4.14Å; D41-K44 HydrophobicContact CB-CG 4.5Å; D41-K44 PolarHBondContact O-N 2.96Å; D41-K44 VanDerWaalsContact OD2-CD 3.28Å; D41-K44 WeakPolarHBondContact OD2-CD 3.12Å; D41-K44 WeakPolarHBondContact OD2-CE 3.44Å; D41-K44 WeakPolarHBondContact OD2-CG 3.39Å; D41-D45 PolarHBondContact N-OD2 3.09Å; D41-D45 VanDerWaalsContact O-CB 3.31Å; D41-D45 WeakPolarHBondContact O-CB 3.48Å; D41-D45 PolarHBondContact O-N 3.36Å
42P77.4Confident84.5Confident31 Ų3166 Ų6620%0.20133%0.325CS..THydrogen-bonded Turntrans-62-11.3-178.6-21.733.1000115.5Y40 M158 L162Y40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-M158 HydrophobicContact CG-CE 4.31Å; P42-L162 HydrophobicContact CG-CD2 3.98Å
43Q78.1Confident84.4Confident181 Ų18170.8 Ų70.885%0.84634%0.341SS*.THydrogen-bonded Turntrans-96.7-37.4177.7-59-173.26.200112.6D41D41-Q43 PolarHBondContact O-N 2.92Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.48Å; D41-Q43 PolarHBondContact OD1-N 2.73Å
44K81.5Confident84.1Confident178 Ų17870.9 Ų70.977%0.77434%0.341SS*.THydrogen-bonded Turntrans-93.8-34.7-177.3-62.3179.8-173174.70113D41D41-K44 HydrophobicContact CB-CB 4.14Å; D41-K44 HydrophobicContact CB-CG 4.5Å; D41-K44 PolarHBondContact O-N 2.96Å; D41-K44 VanDerWaalsContact OD2-CD 3.28Å; D41-K44 WeakPolarHBondContact OD2-CD 3.12Å; D41-K44 WeakPolarHBondContact OD2-CE 3.44Å; D41-K44 WeakPolarHBondContact OD2-CG 3.39Å
45D78.6Confident83.5Confident56 Ų5675.9 Ų75.930%0.29936%0.362SS..SBendtrans-87.4146.9-176.6-68.1-58.9000112.4Y40 D41 R47Y40-D45 HydrophobicContact CD1-CB 3.88Å; Y40-D45 HydrophobicContact CD2-CB 4.38Å; Y40-D45 HydrophobicContact CE1-CB 3.39Å; Y40-D45 HydrophobicContact CE2-CB 3.94Å; Y40-D45 HydrophobicContact CG-CB 4.37Å; Y40-D45 VanDerWaalsContact CZ-CB 3.43Å; D41-D45 PolarHBondContact N-OD2 3.09Å; D41-D45 VanDerWaalsContact O-CB 3.31Å; D41-D45 WeakPolarHBondContact O-CB 3.48Å; D41-D45 PolarHBondContact O-N 3.36Å; D45-R47 PolarHBondContact O-N 3.02Å; D45-R47 VanDerWaalsContact O-N 3.11Å
46K78.6Confident83Confident192 Ų19277 Ų7784%0.83537%0.369SS*.  trans-69.8108.2-178.4-175.5178.9-178.5179.40110.8Y40 F48Y40-K46 VanDerWaalsContact OH-C 3.3Å; Y40-K46 PolarHBondContact OH-O 3.23Å; K46-F48 PolarHBondContact O-N 3.27Å
47R81.3Confident82.5Confident137 Ų13779.3 Ų79.352%0.51738%0.379SS..  trans-50.4129.1172.5-62.6-173.9-173.6162.86.5110.8D45 K159D45-R47 PolarHBondContact O-N 3.02Å; D45-R47 VanDerWaalsContact O-N 3.11Å; R47-K159 PolarHBondContact NE-O 3.48Å
48F81.6Confident82Confident19 Ų1979.1 Ų79.18%0.08338%0.379CS..  trans-102145.7175.564.2-89.8000111.1L37 K46 M158 L164 L189 L192 L193L37-F48 HydrophobicContact CD1-CE1 4.19Å; L37-F48 HydrophobicContact CD1-CZ 4.19Å; K46-F48 PolarHBondContact O-N 3.27Å; F48-M158 HydrophobicContact CD1-CB 4.09Å; F48-M158 HydrophobicContact CD1-SD 4.03Å; F48-M158 HydrophobicContact CE1-CB 3.89Å; F48-M158 HydrophobicContact CE1-CG 4.31Å; F48-M158 HydrophobicContact CE1-SD 3.52Å; F48-M158 VanDerWaalsContact CE1-SD 3.52Å; F48-M158 HydrophobicContact CE2-CB 4.41Å; F48-M158 HydrophobicContact CG-CB 4.44Å; F48-M158 HydrophobicContact CZ-CB 4.07Å; F48-M158 HydrophobicContact CZ-SD 4.3Å; F48-M158 PolarHBondContact O-N 3.29Å; F48-L164 HydrophobicContact CE2-CD1 4.27Å; F48-L164 HydrophobicContact CZ-CD1 3.87Å; F48-L189 HydrophobicContact CE2-CD1 3.63Å; F48-L189 HydrophobicContact CZ-CD1 3.94Å; F48-L192 HydrophobicContact CB-CB 4.38Å; F48-L192 HydrophobicContact CD2-CB 3.84Å; F48-L192 HydrophobicContact CD2-CD1 3.8Å; F48-L192 HydrophobicContact CD2-CG 4.44Å; F48-L192 HydrophobicContact CE2-CB 4.34Å; F48-L192 HydrophobicContact CE2-CD1 4.23Å; F48-L192 HydrophobicContact CG-CB 4.15Å; F48-L193 HydrophobicContact CD1-CD2 4.2Å; F48-L193 HydrophobicContact CE1-CD2 3.45Å; F48-L193 VanDerWaalsContact CE1-CD2 3.45Å; F48-L193 HydrophobicContact CZ-CD2 3.78Å
49S83.1Confident81.3Confident72 Ų7280.3 Ų80.350%0.50338%0.381SS..EExtended strand (participates in β ladder)trans-135.5118.7167.7178.70000106.4K155 F156S49-K155 WeakPolarHBondContact OG-CE 2.95Å; S49-F156 CarbonylContact C-O 3.57Å; S49-F156 VanDerWaalsContact CA-O 3.29Å; S49-F156 WeakPolarHBondContact CA-O 3.47Å
50G85.3Confident80.7Confident8 Ų878.2 Ų78.28%0.08238%0.375CS..EExtended strand (participates in β ladder)trans-132.1145.5177.300000110.5F156G50-F156 PolarHBondContact N-O 3.47Å; G50-F156 PolarHBondContact O-N 2.87Å
51T87Confident80.5Confident87 Ų8786 Ų8653%0.53441%0.409SS..EExtended strand (participates in β ladder)trans-114133.9174.447.50000109.4T153 I154 K155 F188T51-T153 HydrophobicContact CG2-CG2 4.26Å; T51-I154 CarbonylContact C-O 3.56Å; T51-I154 VanDerWaalsContact CA-O 3.24Å; T51-I154 WeakPolarHBondContact CA-O 3.29Å; T51-K155 HydrophobicContact CG2-CB 4.11Å; T51-K155 HydrophobicContact CG2-CG 4Å; T51-F188 WeakPolarHBondContact O-CZ 3.49Å
52V87.8Confident80.5Confident13 Ų1385.6 Ų85.68%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-123.4133.4176.468.40000109.6L54 T153 I154 F156 L184 F188V52-L54 HydrophobicContact CG1-CD2 4.48Å; V52-T153 CarbonylContact O-C 3.5Å; V52-T153 WeakPolarHBondContact O-CA 3.3Å; V52-I154 HydrophobicContact CG1-CB 3.95Å; V52-I154 HydrophobicContact CG1-CG2 4.21Å; V52-I154 PolarHBondContact N-O 3.38Å; V52-I154 PolarHBondContact O-N 2.88Å; V52-F156 HydrophobicContact CG1-CD2 4.21Å; V52-F156 HydrophobicContact CG1-CE2 3.74Å; V52-L184 HydrophobicContact CG2-CD2 3.28Å; V52-L184 HydrophobicContact CG2-CG 4.4Å; V52-F188 HydrophobicContact CB-CB 4.27Å; V52-F188 HydrophobicContact CB-CD1 3.6Å; V52-F188 HydrophobicContact CB-CD2 4.26Å; V52-F188 HydrophobicContact CB-CE1 3.87Å; V52-F188 HydrophobicContact CB-CG 3.78Å; V52-F188 HydrophobicContact CB-CZ 4.34Å; V52-F188 HydrophobicContact CG1-CD1 4.13Å; V52-F188 HydrophobicContact CG2-CB 4.01Å; V52-F188 HydrophobicContact CG2-CD1 4.23Å; V52-F188 HydrophobicContact CG2-CD2 4.21Å; V52-F188 HydrophobicContact CG2-CG 3.89Å
53R86.6Confident80.7Confident140 Ų14085.7 Ų85.753%0.52841%0.406SS..EExtended strand (participates in β ladder)trans-85.5119.5172.6-178.3179.6176.2167.65.6108.5E149R53-E149 VanDerWaalsContact CZ-CG 3.47Å; R53-E149 IonicContact CZ-OE1 2.77Å; R53-E149 IonicContact NH1-OE1 3.82Å; R53-E149 PolarHBondContact NH1-OE1 3.19Å; R53-E149 IonicContact NH2-OE1 3.85Å
54L84.6Confident81Confident2 Ų277.2 Ų77.21%0.0137%0.367CS..  trans-80.5157.6167.9-63.3-168.1000110.7V52 P58 S152 I154 N181 L184V52-L54 HydrophobicContact CG1-CD2 4.48Å; L54-P58 HydrophobicContact CD1-CB 4.16Å; L54-P58 HydrophobicContact CD1-CG 4.17Å; L54-S152 WeakPolarHBondContact CB-O 3.48Å; L54-S152 PolarHBondContact N-O 2.95Å; L54-S152 WeakPolarHBondContact O-CB 3.32Å; L54-I154 HydrophobicContact CD1-CD1 3.15Å; L54-I154 HydrophobicContact CD1-CG1 4.1Å; L54-I154 HydrophobicContact CD2-CD1 4.11Å; L54-I154 HydrophobicContact CG-CD1 3.54Å; L54-I154 HydrophobicContact CG-CG1 4.17Å; L54-N181 HydrophobicContact CD1-CB 3.97Å; L54-N181 HydrophobicContact CD2-CB 4.26Å; L54-L184 HydrophobicContact CD2-CD2 3.71Å
55K79.1Confident81.2Confident167 Ų16768.7 Ų68.773%0.72633%0.33SS*.SBendtrans-77.1-34.9177.6-171.1174.9-179.5-175.60111.8Y180K55-Y180 HydrophobicContact CB-CD1 4.23Å; K55-Y180 HydrophobicContact CB-CE1 3.93Å; K55-Y180 HydrophobicContact CD-CE1 4.16Å
56T80.1Confident81.6Confident26 Ų2666 Ų6616%0.1632%0.316CS..SBendtrans-116.3149.6178.6580000111.4P58 M173 E177 N181T56-P58 WeakPolarHBondContact O-CD 2.97Å; T56-M173 VanDerWaalsContact OG1-CE 3.3Å; T56-M173 WeakPolarHBondContact OG1-CE 3.27Å; T56-E177 HydrophobicContact CG2-CB 4.2Å; T56-E177 HydrophobicContact CG2-CG 3.93Å; T56-N181 PolarHBondContact OG1-ND2 2.96Å
57L79.8Confident81.9Confident67 Ų6757 Ų5735%0.35128%0.276SS..  trans-71107.4-172.3-76.8145.2000112.2R59 K151 H170 M173L57-R59 PolarHBondContact O-N 3.41Å; L57-K151 HydrophobicContact CD2-CB 3.27Å; L57-K151 HydrophobicContact CD2-CD 3.94Å; L57-K151 HydrophobicContact CD2-CG 4.26Å; L57-H170 PolarHBondContact O-ND1 3.01Å; L57-M173 VanDerWaalsContact C-CE 3.49Å; L57-M173 WeakPolarHBondContact O-CE 3.48Å
58P75.5Confident82Confident4 Ų450.4 Ų50.43%0.02625%0.251CS..SBendtrans-72-29.9-172.728.6-34.4000113.2L54 T56 I154 G169L54-P58 HydrophobicContact CD1-CB 4.16Å; L54-P58 HydrophobicContact CD1-CG 4.17Å; T56-P58 WeakPolarHBondContact O-CD 2.97Å; P58-I154 HydrophobicContact CG-CD1 4.4Å; P58-I154 HydrophobicContact CG-CG1 4.29Å; P58-G169 CarbonylContact O-C 3.56Å
59R76.1Confident82.1Confident103 Ų10351.5 Ų51.539%0.38926%0.258SS..  trans-126.6100.2-176-70-173.8176.5-155.8-2.1111.3L57 K61 F62 A167L57-R59 PolarHBondContact O-N 3.41Å; R59-K61 VanDerWaalsContact C-N 3.26Å; R59-K61 PolarHBondContact O-N 3.28Å; R59-F62 HydrophobicContact CB-CB 4.01Å; R59-F62 HydrophobicContact CB-CD2 4.45Å; R59-F62 VanDerWaalsContact O-CB 3.26Å; R59-F62 WeakPolarHBondContact O-CB 3.5Å; R59-F62 PolarHBondContact O-N 3.19Å; R59-A167 HydrophobicContact CG-CB 4.12Å
60P71.6Confident82Confident87 Ų8755.2 Ų55.257%0.56527%0.267SS*.THydrogen-bonded Turntrans-67.7-23.1-177.923.1-31.5000113.8F62P60-F62 VanDerWaalsContact C-N 3.34Å
61K75.9Confident81.9Confident184 Ų18460.9 Ų60.980%0.829%0.292SS*.THydrogen-bonded Turntrans-89.67.8177.1-63.4-172.4177.8-177.80114.1R59 S63R59-K61 VanDerWaalsContact C-N 3.26Å; R59-K61 PolarHBondContact O-N 3.28Å; K61-S63 PolarHBondContact O-N 3.01Å
62F80.1Confident81.6Confident43 Ų4356.8 Ų56.819%0.18927%0.266CS..  trans-67.9117.9-176.2-165.9-90.2000110.5R59 P60 V64 D107 A108 V150 K151R59-F62 HydrophobicContact CB-CB 4.01Å; R59-F62 HydrophobicContact CB-CD2 4.45Å; R59-F62 VanDerWaalsContact O-CB 3.26Å; R59-F62 WeakPolarHBondContact O-CB 3.5Å; R59-F62 PolarHBondContact O-N 3.19Å; P60-F62 VanDerWaalsContact C-N 3.34Å; F62-V64 HydrophobicContact CD1-CG2 3.86Å; F62-V64 HydrophobicContact CE1-CG2 3.94Å; F62-D107 HydrophobicContact CD1-CB 4.17Å; F62-D107 HydrophobicContact CD2-CB 3.62Å; F62-D107 HydrophobicContact CE1-CB 3.92Å; F62-D107 HydrophobicContact CE2-CB 3.34Å; F62-D107 HydrophobicContact CG-CB 4.05Å; F62-D107 HydrophobicContact CZ-CB 3.51Å; F62-A108 HydrophobicContact CE1-CB 3.55Å; F62-A108 HydrophobicContact CZ-CB 3.79Å; F62-V150 HydrophobicContact CE1-CG1 4.13Å; F62-K151 HydrophobicContact CB-CG 4.39Å; F62-K151 HydrophobicContact CD1-CB 4.43Å; F62-K151 HydrophobicContact CD1-CG 3.91Å
63S82.2Confident81.2Confident33 Ų3356.4 Ų56.423%0.23126%0.264CS..  trans-100.1126-175.559.80000111.1K61 K105 Y106 D107 A108K61-S63 PolarHBondContact O-N 3.01Å; S63-K105 PolarHBondContact OG-O 3.35Å; S63-Y106 WeakPolarHBondContact OG-CA 3.26Å; S63-D107 PolarHBondContact N-OD2 2.77Å; S63-D107 PolarHBondContact O-N 2.77Å; S63-D107 PolarHBondContact OG-OD2 2.8Å; S63-A108 PolarHBondContact O-N 3.36Å
64V85.2Confident81.1Confident3 Ų354.3 Ų54.32%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-111.5129178.1-174.20000108.1F62 A108 L110 V147 V150 K151F62-V64 HydrophobicContact CD1-CG2 3.86Å; F62-V64 HydrophobicContact CE1-CG2 3.94Å; V64-A108 WeakPolarHBondContact CA-O 3.45Å; V64-A108 HydrophobicContact CG2-CB 4.38Å; V64-L110 HydrophobicContact CG1-CD1 3.84Å; V64-L110 HydrophobicContact CG1-CG 3.82Å; V64-V147 HydrophobicContact CB-CG1 4.32Å; V64-V147 HydrophobicContact CG1-CG2 4.41Å; V64-V147 HydrophobicContact CG2-CG1 4.21Å; V64-V150 HydrophobicContact CG2-CG1 4.23Å; V64-K151 HydrophobicContact CG2-CG 4.05Å
65C86Confident81Confident0 Ų058 Ų580%028%0.281CS..EExtended strand (participates in β ladder)trans-108.2132.5175.6-177.10000110P82 Y106 A108 F109 L110C65-P82 CarbonylContact C-O 3.47Å; C65-P82 VanDerWaalsContact CA-O 3.29Å; C65-P82 WeakPolarHBondContact CA-O 3.21Å; C65-P82 HydrophobicContact CB-CB 4.45Å; C65-P82 PolarHBondContact SG-O 3.1Å; C65-Y106 HydrophobicContact CB-CD1 4Å; C65-Y106 HydrophobicContact CB-CD2 3.62Å; C65-Y106 HydrophobicContact CB-CE1 4.37Å; C65-Y106 HydrophobicContact CB-CE2 3.97Å; C65-Y106 HydrophobicContact CB-CG 3.61Å; C65-A108 PolarHBondContact N-O 2.6Å; C65-F109 HydrophobicContact CB-CD1 3.68Å; C65-F109 HydrophobicContact CB-CE1 3.67Å; C65-F109 CarbonylContact O-C 3.53Å; C65-F109 VanDerWaalsContact O-CA 3.27Å; C65-F109 WeakPolarHBondContact O-CA 3.34Å; C65-L110 PolarHBondContact O-N 3.27Å
66V86Confident81.2Confident0 Ų050.1 Ų50.10%025%0.247CC..EExtended strand (participates in β ladder)trans-93.1131.3178.4-173.30000109.3H72 A76 P82 H83 M84 L110 L137 L143V66-H72 HydrophobicContact CG1-CB 4.44Å; V66-A76 HydrophobicContact CB-CB 4.17Å; V66-A76 HydrophobicContact CG2-CB 4.1Å; V66-P82 PolarHBondContact N-O 3.02Å; V66-H83 CarbonylContact O-C 3.55Å; V66-H83 VanDerWaalsContact O-CA 3.3Å; V66-H83 WeakPolarHBondContact O-CA 3.32Å; V66-M84 PolarHBondContact O-N 3.01Å; V66-L110 CarbonylContact C-O 3.49Å; V66-L137 HydrophobicContact CG1-CD2 4.28Å; V66-L143 HydrophobicContact CG1-CD1 4.25Å; V66-L143 HydrophobicContact CG2-CD1 3.81Å; V66-L143 HydrophobicContact CG2-CD2 4.33Å
67L84.9Confident81.4Confident1 Ų155.5 Ų55.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-114.697.1175.5-57-178.9000106.6M84 L89 F109 L110 A111 S112 I119 L123 P134L67-M84 HydrophobicContact CD2-CB 3.75Å; L67-M84 HydrophobicContact CD2-CG 4.22Å; L67-M84 HydrophobicContact CD2-SD 4.39Å; L67-L89 HydrophobicContact CB-CD1 4.4Å; L67-L89 HydrophobicContact CD1-CD2 4.48Å; L67-L89 HydrophobicContact CD2-CD2 4Å; L67-F109 HydrophobicContact CD1-CB 4.37Å; L67-F109 HydrophobicContact CD1-CD1 4.15Å; L67-F109 HydrophobicContact CG-CD1 4.3Å; L67-L110 WeakPolarHBondContact CB-O 3.22Å; L67-L110 PolarHBondContact N-O 3.01Å; L67-A111 HydrophobicContact CB-CB 4.4Å; L67-A111 VanDerWaalsContact O-CA 3.26Å; L67-A111 WeakPolarHBondContact O-CA 3.36Å; L67-S112 PolarHBondContact O-N 3.47Å; L67-I119 HydrophobicContact CD1-CD1 4.3Å; L67-L123 HydrophobicContact CD1-CD1 4.38Å; L67-P134 HydrophobicContact CD1-CG 4.14Å
68G84.4Confident81.5Confident0 Ų056.4 Ų56.40%029%0.285CS..  trans-133.5165.8-163.200000113.6M84 L115G68-M84 PolarHBondContact N-O 2.91Å; G68-L115 VanDerWaalsContact C-CD1 3.41Å; G68-L115 WeakPolarHBondContact O-CD1 3.44Å
69D82.6Confident81.7Confident41 Ų4157.7 Ų57.722%0.21930%0.296CS..  trans-74.2176158.5-58.8-41.5000109.4Q71 H72 C73 S112 S114D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 3.1Å; D69-H72 PolarHBondContact O-N 3.26Å; D69-H72 VanDerWaalsContact O-N 3.08Å; D69-C73 PolarHBondContact O-N 3.17Å; D69-C73 PolarHBondContact O-SG 3.47Å; D69-S112 PolarHBondContact OD2-OG 3.26Å; D69-S114 VanDerWaalsContact CG-OG 3.22Å; D69-S114 PolarHBondContact OD1-OG 3.01Å; D69-S114 VanDerWaalsContact OD2-CB 3.31Å; D69-S114 WeakPolarHBondContact OD2-CB 3.2Å; D69-S114 PolarHBondContact OD2-OG 3.36Å
70Q81.6Confident81.9Confident151 Ų15160.2 Ų60.271%0.70632%0.317SS*.Hα-helixtrans-55.1-40.8-173.1-163.11496.100113.5H72 C73 D74Q70-H72 PolarHBondContact O-N 3.44Å; Q70-C73 PolarHBondContact O-N 3.4Å; Q70-C73 VanDerWaalsContact O-N 3.17Å; Q70-D74 VanDerWaalsContact O-CG 3.28Å; Q70-D74 PolarHBondContact O-N 2.95Å
71Q81.8Confident82.3Confident127 Ų12757.2 Ų57.259%0.59330%0.296SS*.Hα-helixtrans-58.4-49.5176.1-70.8-176.1-10.300112.7D69 C73 D74 E75 H139D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 3.1Å; Q71-C73 VanDerWaalsContact C-N 3.26Å; Q71-C73 PolarHBondContact O-N 3.4Å; Q71-D74 PolarHBondContact O-N 3.23Å; Q71-E75 WeakPolarHBondContact O-CG 3.2Å; Q71-E75 PolarHBondContact O-N 3.14Å; Q71-H139 PolarHBondContact OE1-CD2 3.22Å
72H81.1Confident82.7Confident0 Ų050.5 Ų50.50%027%0.271CS..Hα-helixtrans-69.4-25.7178.5-73.7-48.6000113V66 D69 Q70 E75 A76 S112 H139V66-H72 HydrophobicContact CG1-CB 4.44Å; D69-H72 PolarHBondContact O-N 3.26Å; D69-H72 VanDerWaalsContact O-N 3.08Å; Q70-H72 PolarHBondContact O-N 3.44Å; H72-E75 IonicContact CE1-OE2 3.54Å; H72-E75 IonicContact ND1-OE2 3.19Å; H72-E75 PolarHBondContact ND1-OE2 3.34Å; H72-A76 WeakPolarHBondContact O-CB 3.46Å; H72-A76 PolarHBondContact O-N 2.76Å; H72-S112 PolarHBondContact CD2-OG 3.41Å; H72-H139 AromaticContact CD2-CD2 3.98Å; H72-H139 AromaticContact CD2-NE2 3.64Å; H72-H139 AromaticContact CE1-CD2 3.8Å; H72-H139 AromaticContact NE2-CD2 3.39Å; H72-H139 PolarHBondContact NE2-CD2 3.48Å; H72-H139 AromaticContact NE2-CE1 3.58Å; H72-H139 AromaticContact NE2-CG 3.65Å; H72-H139 AromaticContact NE2-ND1 3.77Å; H72-H139 AromaticContact NE2-NE2 3.37Å; H72-H139 PolarHBondContact NE2-NE2 2.89Å
73C80.9Confident82.8Confident5 Ų551.8 Ų51.83%0.03428%0.278CS..Hα-helixtrans-73.9-37173.3-69.70000111.7D69 Q70 Q71 A76 K77 H83 D85D69-C73 PolarHBondContact O-N 3.17Å; D69-C73 PolarHBondContact O-SG 3.47Å; Q70-C73 PolarHBondContact O-N 3.4Å; Q70-C73 VanDerWaalsContact O-N 3.17Å; Q71-C73 VanDerWaalsContact C-N 3.26Å; Q71-C73 PolarHBondContact O-N 3.4Å; C73-A76 PolarHBondContact O-N 3.18Å; C73-K77 WeakPolarHBondContact O-CB 2.99Å; C73-K77 PolarHBondContact O-N 3.42Å; C73-H83 HydrophobicContact CB-CB 4.46Å; C73-D85 WeakPolarHBondContact CB-OD1 3.44Å; C73-D85 PolarHBondContact SG-OD1 3.24Å
74D84.3Confident82.8Confident96 Ų9651.9 Ų51.951%0.51328%0.275SS..Hα-helixtrans-66.5-43.9173.2-66.8-32.5000111.3Q70 Q71 K77 A78Q70-D74 VanDerWaalsContact O-CG 3.28Å; Q70-D74 PolarHBondContact O-N 2.95Å; Q71-D74 PolarHBondContact O-N 3.23Å; D74-K77 PolarHBondContact O-N 3.29Å; D74-A78 WeakPolarHBondContact O-CB 3.46Å; D74-A78 PolarHBondContact O-N 3.24Å
75E82.2Confident82.6Confident81 Ų8155.1 Ų55.138%0.37929%0.292SS..Hα-helixtrans-61.2-45172.9-71.4172.7173.300112.2Q71 H72 K77 A78 A79 L143Q71-E75 WeakPolarHBondContact O-CG 3.2Å; Q71-E75 PolarHBondContact O-N 3.14Å; H72-E75 IonicContact CE1-OE2 3.54Å; H72-E75 IonicContact ND1-OE2 3.19Å; H72-E75 PolarHBondContact ND1-OE2 3.34Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 2.9Å; E75-A78 PolarHBondContact O-N 3Å; E75-A79 WeakPolarHBondContact O-CB 3.27Å; E75-A79 PolarHBondContact O-N 2.91Å; E75-L143 HydrophobicContact CB-CD2 4.18Å
76A82.5Confident82.1Confident0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-65.5-36.1177.500000111.7V66 H72 C73 A79 D80 L81 H83 L143V66-A76 HydrophobicContact CB-CB 4.17Å; V66-A76 HydrophobicContact CG2-CB 4.1Å; H72-A76 WeakPolarHBondContact O-CB 3.46Å; H72-A76 PolarHBondContact O-N 2.76Å; C73-A76 PolarHBondContact O-N 3.18Å; A76-A79 CarbonylContact O-C 3.49Å; A76-A79 PolarHBondContact O-N 2.69Å; A76-D80 PolarHBondContact O-N 3.33Å; A76-D80 VanDerWaalsContact O-N 3.13Å; A76-L81 HydrophobicContact CB-CB 4.2Å; A76-L81 PolarHBondContact O-N 2.64Å; A76-H83 HydrophobicContact CB-CB 3.81Å; A76-L143 VanDerWaalsContact CA-CD2 3.47Å; A76-L143 HydrophobicContact CB-CD2 3.81Å
77K83.9Confident81.7Confident140 Ų14064.5 Ų64.561%0.60934%0.337SS*.Hα-helixtrans-68.7-38.6175.8-169.2174.5-178.3-177.80111.6C73 D74 E75 A79 D80C73-K77 WeakPolarHBondContact O-CB 2.99Å; C73-K77 PolarHBondContact O-N 3.42Å; D74-K77 PolarHBondContact O-N 3.29Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 2.9Å; K77-A79 VanDerWaalsContact C-N 3.25Å; K77-A79 PolarHBondContact O-N 3.43Å; K77-D80 PolarHBondContact O-N 3.1Å
78A83.3Confident81.4Confident86 Ų8666 Ų6671%0.71135%0.35SS*.Hα-helixtrans-65-30.1172.300000112.6D74 E75D74-A78 WeakPolarHBondContact O-CB 3.46Å; D74-A78 PolarHBondContact O-N 3.24Å; E75-A78 PolarHBondContact O-N 3Å
79A79Confident81Confident31 Ų3166.2 Ų66.226%0.25635%0.351SS..THydrogen-bonded Turntrans-906.4176.400000114.3E75 A76 K77 L81 N144E75-A79 WeakPolarHBondContact O-CB 3.27Å; E75-A79 PolarHBondContact O-N 2.91Å; A76-A79 CarbonylContact O-C 3.49Å; A76-A79 PolarHBondContact O-N 2.69Å; K77-A79 VanDerWaalsContact C-N 3.25Å; K77-A79 PolarHBondContact O-N 3.43Å; A79-L81 HydrophobicContact CB-CD1 3.89Å; A79-L81 HydrophobicContact CB-CG 4.01Å; A79-L81 PolarHBondContact O-N 2.94Å; A79-L81 VanDerWaalsContact O-N 3.15Å; A79-N144 WeakPolarHBondContact CB-OD1 3.28Å
80D80.3Confident80.7Confident155 Ų15570.6 Ų70.683%0.82937%0.368SS*.THydrogen-bonded Turntrans52.631-174.1-74.3-59.9000114.1A76 K77A76-D80 PolarHBondContact O-N 3.33Å; A76-D80 VanDerWaalsContact O-N 3.13Å; K77-D80 PolarHBondContact O-N 3.1Å
81L81Confident80.6Confident25 Ų2571.4 Ų71.413%0.13137%0.37CS..  trans-91.6142.4179-69.2171.1000111.6A76 A79 H83 L143 V147A76-L81 HydrophobicContact CB-CB 4.2Å; A76-L81 PolarHBondContact O-N 2.64Å; A79-L81 HydrophobicContact CB-CD1 3.89Å; A79-L81 HydrophobicContact CB-CG 4.01Å; A79-L81 PolarHBondContact O-N 2.94Å; A79-L81 VanDerWaalsContact O-N 3.15Å; L81-H83 PolarHBondContact O-N 2.86Å; L81-H83 VanDerWaalsContact O-N 3.14Å; L81-H83 PolarHBondContact O-ND1 2.94Å; L81-L143 HydrophobicContact CD1-CD2 3.84Å; L81-L143 HydrophobicContact CD1-CG 4.14Å; L81-V147 HydrophobicContact CD1-CG1 4.48Å; L81-V147 HydrophobicContact CD1-CG2 3.7Å; L81-V147 HydrophobicContact CD2-CG1 4.36Å
82P83.4Confident80.2Confident43 Ų4366.3 Ų66.328%0.27935%0.346SS..  trans-60.7119172.8-15.726.5000110.7C65 V66 Y106C65-P82 CarbonylContact C-O 3.47Å; C65-P82 VanDerWaalsContact CA-O 3.29Å; C65-P82 WeakPolarHBondContact CA-O 3.21Å; C65-P82 HydrophobicContact CB-CB 4.45Å; C65-P82 PolarHBondContact SG-O 3.1Å; V66-P82 PolarHBondContact N-O 3.02Å; P82-Y106 HydrophobicContact CB-CD1 4.48Å; P82-Y106 HydrophobicContact CB-CE1 3.59Å; P82-Y106 HydrophobicContact CG-CD1 4.38Å; P82-Y106 HydrophobicContact CG-CE1 3.63Å
83H82Confident79.6Confident70 Ų7069.6 Ų69.632%0.32436%0.364SS..EExtended strand (participates in β ladder)trans-119.4156.9178.556.1-81.8000111.4V66 C73 A76 L81V66-H83 CarbonylContact O-C 3.55Å; V66-H83 VanDerWaalsContact O-CA 3.3Å; V66-H83 WeakPolarHBondContact O-CA 3.32Å; C73-H83 HydrophobicContact CB-CB 4.46Å; A76-H83 HydrophobicContact CB-CB 3.81Å; L81-H83 PolarHBondContact O-N 2.86Å; L81-H83 VanDerWaalsContact O-N 3.14Å; L81-H83 PolarHBondContact O-ND1 2.94Å
84M82.1Confident79Confident34 Ų3478.2 Ų78.217%0.16740%0.401CS..EExtended strand (participates in β ladder)trans-141.2128.3170.7-63-165.366.500111.3V66 L67 G68 A88 L92 L102V66-M84 PolarHBondContact O-N 3.01Å; L67-M84 HydrophobicContact CD2-CB 3.75Å; L67-M84 HydrophobicContact CD2-CG 4.22Å; L67-M84 HydrophobicContact CD2-SD 4.39Å; G68-M84 PolarHBondContact N-O 2.91Å; M84-A88 HydrophobicContact CE-CB 3.56Å; M84-L92 HydrophobicContact CE-CD1 3.45Å; M84-L92 VanDerWaalsContact CE-CD1 3.45Å; M84-L92 HydrophobicContact SD-CD1 4.2Å; M84-L102 HydrophobicContact CE-CD1 4.18Å; M84-L102 HydrophobicContact SD-CD1 3.31Å; M84-L102 WeakPolarHBondContact SD-CD1 3.48Å
85D81.3Confident78.8Confident71 Ų7177.2 Ų77.238%0.3840%0.395SS..  trans-78.8166.7174.7-60.5-44.1000113C73 E87 A88 L89C73-D85 WeakPolarHBondContact CB-OD1 3.44Å; C73-D85 PolarHBondContact SG-OD1 3.24Å; D85-E87 PolarHBondContact O-N 3.12Å; D85-A88 PolarHBondContact O-N 3.01Å; D85-A88 VanDerWaalsContact O-N 3.09Å; D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.13Å
86I75.9Confident78.6Confident53 Ų5381.2 Ų81.227%0.27241%0.412SS..Hα-helixtrans-54.1-38.3175.6-50.9-178.6000111.9L89 K90 L115I86-L89 PolarHBondContact O-N 3.06Å; I86-K90 WeakPolarHBondContact O-CG 3.45Å; I86-K90 PolarHBondContact O-N 3.06Å; I86-L115 HydrophobicContact CD1-CD2 3.81Å; I86-L115 HydrophobicContact CG1-CD1 4.16Å; I86-L115 HydrophobicContact CG1-CD2 3.72Å
87E78.1Confident78.6Confident144 Ų14489.6 Ų89.667%0.67345%0.448SS*.Hα-helixtrans-68.7-39.9179.1-62.8-167.216600112.5D85 L89 K90 K91D85-E87 PolarHBondContact O-N 3.12Å; E87-L89 VanDerWaalsContact C-N 3.31Å; E87-K90 PolarHBondContact O-N 3.07Å; E87-K91 PolarHBondContact O-N 3.43Å
88A78.5Confident78.5Confident34 Ų3486.6 Ų86.628%0.28144%0.438SS..Hα-helixtrans-67.1-36.3175.200000111M84 D85 K91 L92M84-A88 HydrophobicContact CE-CB 3.56Å; D85-A88 PolarHBondContact O-N 3.01Å; D85-A88 VanDerWaalsContact O-N 3.09Å; A88-K91 PolarHBondContact O-N 3.45Å; A88-L92 WeakPolarHBondContact O-CG 3.22Å; A88-L92 PolarHBondContact O-N 3.31Å
89L75.1Confident78.4Confident4 Ų482.6 Ų82.62%0.02141%0.405CS..Hα-helixtrans-65.4-38.9172.1-72.3173.9000112.5L67 D85 I86 E87 L92 N93 I122 L123L67-L89 HydrophobicContact CB-CD1 4.4Å; L67-L89 HydrophobicContact CD1-CD2 4.48Å; L67-L89 HydrophobicContact CD2-CD2 4Å; D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.13Å; I86-L89 PolarHBondContact O-N 3.06Å; E87-L89 VanDerWaalsContact C-N 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 2.92Å; L89-L92 VanDerWaalsContact O-N 3.14Å; L89-N93 PolarHBondContact O-N 3.5Å; L89-I122 HydrophobicContact CB-CG2 4.35Å; L89-I122 WeakPolarHBondContact O-CG2 3.47Å; L89-L123 HydrophobicContact CD2-CD1 3.93Å; L89-L123 HydrophobicContact CD2-CD2 4.03Å; L89-L123 HydrophobicContact CD2-CG 4.28Å
90K76.8Confident78.6Confident133 Ų13387.9 Ų87.958%0.57842%0.422SS*.Hα-helixtrans-65.2-35.9173.8-77.3176.3-179.41750112.5I86 E87 L92 N93I86-K90 WeakPolarHBondContact O-CG 3.45Å; I86-K90 PolarHBondContact O-N 3.06Å; E87-K90 PolarHBondContact O-N 3.07Å; K90-L92 PolarHBondContact O-N 3.24Å; K90-N93 WeakPolarHBondContact O-CB 3.48Å; K90-N93 PolarHBondContact O-N 3.08Å; K90-N93 VanDerWaalsContact O-N 3.1Å
91K78.9Confident78.9Confident168 Ų16888.1 Ų88.173%0.7342%0.416SS*.Hα-helixtrans-65.4-25172.8-71.5175.3-176.4172.90112.9E87 A88 N93E87-K91 PolarHBondContact O-N 3.43Å; A88-K91 PolarHBondContact O-N 3.45Å; K91-N93 VanDerWaalsContact C-N 3.31Å
92L72.8Confident78.9Confident19 Ų1987.9 Ų87.910%0.09942%0.415CS..THydrogen-bonded Turntrans-85.6-2.7175-67.9168.8000113.5M84 A88 L89 K90 K94 N95 L98 L102 L123M84-L92 HydrophobicContact CE-CD1 3.45Å; M84-L92 VanDerWaalsContact CE-CD1 3.45Å; M84-L92 HydrophobicContact SD-CD1 4.2Å; A88-L92 WeakPolarHBondContact O-CG 3.22Å; A88-L92 PolarHBondContact O-N 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 2.92Å; L89-L92 VanDerWaalsContact O-N 3.14Å; K90-L92 PolarHBondContact O-N 3.24Å; L92-K94 PolarHBondContact O-N 3.04Å; L92-N95 PolarHBondContact O-N 3.17Å; L92-L98 HydrophobicContact CD2-CB 3.53Å; L92-L98 HydrophobicContact CD2-CD1 4.19Å; L92-L98 HydrophobicContact CD2-CG 4.49Å; L92-L102 HydrophobicContact CD1-CD1 3.75Å; L92-L123 HydrophobicContact CB-CD2 4.03Å; L92-L123 HydrophobicContact CD1-CD2 4.41Å
93N68.9Low78.8Confident70 Ų7086.2 Ų86.237%0.37441%0.405SS..THydrogen-bonded Turntrans-60.5128-175.5-1663.8000111L89 K90 K91 N95 I122L89-N93 PolarHBondContact O-N 3.5Å; K90-N93 WeakPolarHBondContact O-CB 3.48Å; K90-N93 PolarHBondContact O-N 3.08Å; K90-N93 VanDerWaalsContact O-N 3.1Å; K91-N93 VanDerWaalsContact C-N 3.31Å; N93-N95 PolarHBondContact O-N 3.38Å; N93-I122 WeakPolarHBondContact CA-O 3.45Å; N93-I122 HydrophobicContact CB-CG2 4.33Å; N93-I122 PolarHBondContact OD1-O 3.43Å
94K69.4Low79Confident185 Ų18591.5 Ų91.580%0.80443%0.427SS*.THydrogen-bonded Turntrans60.6-3.6179.6-59.8178.7-178.4179.30116.8L92 K96L92-K94 PolarHBondContact O-N 3.04Å; K94-K96 PolarHBondContact O-N 3.31Å; K94-K96 VanDerWaalsContact O-N 3.14Å
95N79.1Confident79.1Confident76 Ų7696.6 Ų96.641%0.40645%0.448SS..  trans-8887.7-178.9-153.7-20.1000112.3L92 N93 K97 L98 V99L92-N95 PolarHBondContact O-N 3.17Å; N93-N95 PolarHBondContact O-N 3.38Å; N95-K97 PolarHBondContact O-N 2.94Å; N95-L98 HydrophobicContact CB-CD1 4.28Å; N95-L98 HydrophobicContact CB-CG 4.49Å; N95-L98 PolarHBondContact O-N 3.13Å; N95-L98 VanDerWaalsContact O-N 3.17Å; N95-V99 PolarHBondContact O-N 3.32Å
96K77.3Confident79.4Confident165 Ų16594.6 Ų94.672%0.71744%0.435SS*.Hα-helixtrans-54.2-30.3-174.8-66.9178.4-177.5171.70114.2K94 K100K94-K96 PolarHBondContact O-N 3.31Å; K94-K96 VanDerWaalsContact O-N 3.14Å; K96-K100 WeakPolarHBondContact O-CB 3.47Å; K96-K100 VanDerWaalsContact O-CG 3.26Å; K96-K100 WeakPolarHBondContact O-CG 3.45Å; K96-K100 PolarHBondContact O-N 3.37Å
97K83.8Confident79.7Confident175 Ų17594.8 Ų94.876%0.76144%0.437SS*.Hα-helixtrans-71.8-45.6-179.3-72.8-176.7-179.9177.40111.7N95 K100 K101N95-K97 PolarHBondContact O-N 2.94Å; K97-K100 PolarHBondContact O-N 3.5Å; K97-K101 PolarHBondContact O-N 2.77Å
98L82.6Confident80Confident77 Ų7788.6 Ų88.640%0.40341%0.41SS..Hα-helixtrans-69-41.6-179.4-63.6178.1000111.5L92 N95 K100 K101 L102L92-L98 HydrophobicContact CD2-CB 3.53Å; L92-L98 HydrophobicContact CD2-CD1 4.19Å; L92-L98 HydrophobicContact CD2-CG 4.49Å; N95-L98 HydrophobicContact CB-CD1 4.28Å; N95-L98 HydrophobicContact CB-CG 4.49Å; N95-L98 PolarHBondContact O-N 3.13Å; N95-L98 VanDerWaalsContact O-N 3.17Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.37Å; L98-K101 WeakPolarHBondContact O-CB 3.4Å; L98-K101 PolarHBondContact O-N 3.24Å; L98-K101 VanDerWaalsContact O-N 3.08Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.38Å
99V80.7Confident80.5Confident3 Ų387 Ų872%0.01840%0.397CS..Hα-helixtrans-60.8-40.6175.1179.20000111.3N95 K101 L102 A103 L123 L127N95-V99 PolarHBondContact O-N 3.32Å; V99-K101 PolarHBondContact O-N 3.22Å; V99-L102 PolarHBondContact O-N 3.22Å; V99-A103 WeakPolarHBondContact O-CB 3.33Å; V99-A103 PolarHBondContact O-N 3.2Å; V99-L123 HydrophobicContact CG2-CD2 4.07Å; V99-L127 HydrophobicContact CG1-CG 4.46Å
100K82.3Confident81.1Confident141 Ų14186.9 Ų86.961%0.61340%0.396SS*.Hα-helixtrans-65.2-36.3173.9-78.1178-178.9-177.20112.8K96 K97 L98 K104K96-K100 WeakPolarHBondContact O-CB 3.47Å; K96-K100 VanDerWaalsContact O-CG 3.26Å; K96-K100 WeakPolarHBondContact O-CG 3.45Å; K96-K100 PolarHBondContact O-N 3.37Å; K97-K100 PolarHBondContact O-N 3.5Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.37Å; K100-K104 WeakPolarHBondContact O-CG 3.32Å; K100-K104 PolarHBondContact O-N 2.69Å
101K85.9Confident81.6Confident160 Ų16080.5 Ų80.570%0.69637%0.368SS*.Hα-helixtrans-66.5-44.2177-169.4177.3-179-179.40110.7K97 L98 V99 K104 K105K97-K101 PolarHBondContact O-N 2.77Å; L98-K101 WeakPolarHBondContact O-CB 3.4Å; L98-K101 PolarHBondContact O-N 3.24Å; L98-K101 VanDerWaalsContact O-N 3.08Å; V99-K101 PolarHBondContact O-N 3.22Å; K101-K104 PolarHBondContact O-N 2.92Å; K101-K105 PolarHBondContact O-N 3.36Å; K101-K105 VanDerWaalsContact O-N 3.07Å
102L82.4Confident81.9Confident21 Ų2172.5 Ų72.511%0.1133%0.333CS..Hα-helixtrans-64.1-44.2176.8-178144.7000112.2M84 L92 L98 V99 K104 K105 Y106 F109 L127M84-L102 HydrophobicContact CE-CD1 4.18Å; M84-L102 HydrophobicContact SD-CD1 3.31Å; M84-L102 WeakPolarHBondContact SD-CD1 3.48Å; L92-L102 HydrophobicContact CD1-CD1 3.75Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.38Å; V99-L102 PolarHBondContact O-N 3.22Å; L102-K104 PolarHBondContact O-N 3.06Å; L102-K105 PolarHBondContact O-N 2.92Å; L102-Y106 HydrophobicContact CG-CD2 4.36Å; L102-Y106 PolarHBondContact O-N 3.08Å; L102-F109 HydrophobicContact CD2-CD1 4.49Å; L102-F109 HydrophobicContact CD2-CE1 3.4Å; L102-F109 VanDerWaalsContact CD2-CE1 3.4Å; L102-F109 HydrophobicContact CD2-CE2 4.33Å; L102-F109 HydrophobicContact CD2-CZ 3.31Å; L102-F109 HydrophobicContact CG-CE1 4.3Å; L102-F109 HydrophobicContact CG-CZ 4.27Å; L102-L127 HydrophobicContact CD2-CD2 4.32Å
103A81.3Confident82.4Confident8 Ų876.6 Ų76.67%0.06635%0.352CS..Hα-helixtrans-63.3-23.3175.700000113.8V99 L127 A130 K132V99-A103 WeakPolarHBondContact O-CB 3.33Å; V99-A103 PolarHBondContact O-N 3.2Å; A103-L127 HydrophobicContact CB-CD2 3.87Å; A103-A130 HydrophobicContact CB-CB 4.22Å; A103-K132 WeakPolarHBondContact O-CD 3.45Å; A103-K132 PolarHBondContact O-NZ 2.94Å
104K85Confident83Confident181 Ų18175.7 Ų75.779%0.78735%0.351SS*.Hα-helixtrans-84.7-29173.1-75.6-178.3178.4-171.10112.7K100 K101 L102K100-K104 WeakPolarHBondContact O-CG 3.32Å; K100-K104 PolarHBondContact O-N 2.69Å; K101-K104 PolarHBondContact O-N 2.92Å; L102-K104 PolarHBondContact O-N 3.06Å
105K86Confident83.6Confident140 Ų14067.1 Ų67.161%0.60931%0.314SS*.Hα-helixtrans-72.6-41.9-177.5-169.1-176.5179.1-161.20112.2S63 K101 L102S63-K105 PolarHBondContact OG-O 3.35Å; K101-K105 PolarHBondContact O-N 3.36Å; K101-K105 VanDerWaalsContact O-N 3.07Å; L102-K105 PolarHBondContact O-N 2.92Å
106Y86Confident83.9Confident30 Ų3065.3 Ų65.312%0.11830%0.304CS..  trans-112.8146.6-177.2-55.4-66.5000112.1S63 C65 P82 L102 F109 K132S63-Y106 WeakPolarHBondContact OG-CA 3.26Å; C65-Y106 HydrophobicContact CB-CD1 4Å; C65-Y106 HydrophobicContact CB-CD2 3.62Å; C65-Y106 HydrophobicContact CB-CE1 4.37Å; C65-Y106 HydrophobicContact CB-CE2 3.97Å; C65-Y106 HydrophobicContact CB-CG 3.61Å; P82-Y106 HydrophobicContact CB-CD1 4.48Å; P82-Y106 HydrophobicContact CB-CE1 3.59Å; P82-Y106 HydrophobicContact CG-CD1 4.38Å; P82-Y106 HydrophobicContact CG-CE1 3.63Å; L102-Y106 HydrophobicContact CG-CD2 4.36Å; L102-Y106 PolarHBondContact O-N 3.08Å; Y106-F109 AromaticContact CD2-CE1 3.86Å; Y106-F109 HydrophobicContact CD2-CE1 3.86Å; Y106-F109 HydrophobicContact CD2-CZ 4.1Å; Y106-F109 HydrophobicContact CG-CE1 4.31Å; Y106-F109 HydrophobicContact CG-CZ 4.42Å; Y106-K132 PolarHBondContact O-NZ 3.48Å
107D82.3Confident84.2Confident57 Ų5765.8 Ų65.831%0.30531%0.306SS..SBendtrans-86.7-38-176.7-64.3-59.2000112.9F62 S63 K132F62-D107 HydrophobicContact CD1-CB 4.17Å; F62-D107 HydrophobicContact CD2-CB 3.62Å; F62-D107 HydrophobicContact CE1-CB 3.92Å; F62-D107 HydrophobicContact CE2-CB 3.34Å; F62-D107 HydrophobicContact CG-CB 4.05Å; F62-D107 HydrophobicContact CZ-CB 3.51Å; S63-D107 PolarHBondContact N-OD2 2.77Å; S63-D107 PolarHBondContact O-N 2.77Å; S63-D107 PolarHBondContact OG-OD2 2.8Å; D107-K132 VanDerWaalsContact O-CD 3.31Å; D107-K132 WeakPolarHBondContact O-CD 3.45Å; D107-K132 WeakPolarHBondContact O-CE 3.36Å; D107-K132 IonicContact OD1-NZ 4Å
108A85.8Confident84.1Confident13 Ų1361.9 Ų61.911%0.10729%0.291CS..EExtended strand (participates in β ladder)trans-135.7160.8174.200000112.3F62 S63 V64 C65 V150F62-A108 HydrophobicContact CE1-CB 3.55Å; F62-A108 HydrophobicContact CZ-CB 3.79Å; S63-A108 PolarHBondContact O-N 3.36Å; V64-A108 WeakPolarHBondContact CA-O 3.45Å; V64-A108 HydrophobicContact CG2-CB 4.38Å; C65-A108 PolarHBondContact N-O 2.6Å; A108-V150 HydrophobicContact CB-CG1 3.49Å; A108-V150 VanDerWaalsContact CB-CG1 3.49Å
109F87.3Confident84Confident2 Ų258.5 Ų58.51%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-124.9140.1176.4-64.8-81.5000109.6C65 L67 L102 Y106 L127 K132 P134 S135C65-F109 HydrophobicContact CB-CD1 3.68Å; C65-F109 HydrophobicContact CB-CE1 3.67Å; C65-F109 CarbonylContact O-C 3.53Å; C65-F109 VanDerWaalsContact O-CA 3.27Å; C65-F109 WeakPolarHBondContact O-CA 3.34Å; L67-F109 HydrophobicContact CD1-CB 4.37Å; L67-F109 HydrophobicContact CD1-CD1 4.15Å; L67-F109 HydrophobicContact CG-CD1 4.3Å; L102-F109 HydrophobicContact CD2-CD1 4.49Å; L102-F109 HydrophobicContact CD2-CE1 3.4Å; L102-F109 VanDerWaalsContact CD2-CE1 3.4Å; L102-F109 HydrophobicContact CD2-CE2 4.33Å; L102-F109 HydrophobicContact CD2-CZ 3.31Å; L102-F109 HydrophobicContact CG-CE1 4.3Å; L102-F109 HydrophobicContact CG-CZ 4.27Å; Y106-F109 AromaticContact CD2-CE1 3.86Å; Y106-F109 HydrophobicContact CD2-CE1 3.86Å; Y106-F109 HydrophobicContact CD2-CZ 4.1Å; Y106-F109 HydrophobicContact CG-CE1 4.31Å; Y106-F109 HydrophobicContact CG-CZ 4.42Å; F109-L127 HydrophobicContact CD2-CD1 4.47Å; F109-L127 HydrophobicContact CD2-CD2 4.12Å; F109-L127 HydrophobicContact CE2-CD2 3.67Å; F109-L127 HydrophobicContact CZ-CD2 4.17Å; F109-K132 HydrophobicContact CD2-CB 4.11Å; F109-K132 HydrophobicContact CE2-CB 4.19Å; F109-K132 HydrophobicContact CE2-CD 4.39Å; F109-P134 HydrophobicContact CB-CB 3.8Å; F109-P134 HydrophobicContact CB-CG 3.73Å; F109-P134 CarbonylContact O-C 3.55Å; F109-P134 WeakPolarHBondContact O-CA 3.49Å; F109-S135 PolarHBondContact O-N 3.47Å
110L87.8Confident84.1Confident0 Ų061.8 Ų61.80%029%0.294CS..EExtended strand (participates in β ladder)trans-109.4139.5166.7-72173.5000107.8V64 C65 V66 L67 S135 L143 K146 V147 V150V64-L110 HydrophobicContact CG1-CD1 3.84Å; V64-L110 HydrophobicContact CG1-CG 3.82Å; C65-L110 PolarHBondContact O-N 3.27Å; V66-L110 CarbonylContact C-O 3.49Å; L67-L110 WeakPolarHBondContact CB-O 3.22Å; L67-L110 PolarHBondContact N-O 3.01Å; L110-S135 WeakPolarHBondContact CA-O 3.15Å; L110-L143 HydrophobicContact CD1-CD1 4.21Å; L110-K146 HydrophobicContact CD1-CG 4.45Å; L110-K146 HydrophobicContact CD2-CG 4Å; L110-V147 HydrophobicContact CD1-CG2 3.53Å; L110-V150 HydrophobicContact CD2-CG2 3.91Å
111A87.7Confident84.1Confident0 Ų065.8 Ų65.80%031%0.305CS..EExtended strand (participates in β ladder)trans-131.3135.2178.900000111.8L67 I119 P134 S135 L137L67-A111 HydrophobicContact CB-CB 4.4Å; L67-A111 VanDerWaalsContact O-CA 3.26Å; L67-A111 WeakPolarHBondContact O-CA 3.36Å; A111-I119 HydrophobicContact CB-CD1 3.4Å; A111-P134 HydrophobicContact CB-CB 3.56Å; A111-P134 HydrophobicContact CB-CG 4.35Å; A111-S135 PolarHBondContact N-O 3.34Å; A111-L137 PolarHBondContact O-N 3.26Å
112S85.5Confident83.8Confident0 Ų059 Ų590%028%0.277CS..EExtended strand (participates in β ladder)trans-59.4149.1169.4-172.50000111.1L67 D69 H72 S114 L115 I116 H139L67-S112 PolarHBondContact O-N 3.47Å; D69-S112 PolarHBondContact OD2-OG 3.26Å; H72-S112 PolarHBondContact CD2-OG 3.41Å; S112-S114 PolarHBondContact O-N 3.23Å; S112-S114 PolarHBondContact OG-OG 3.11Å; S112-L115 PolarHBondContact O-N 2.95Å; S112-I116 PolarHBondContact O-N 3.01Å; S112-H139 PolarHBondContact OG-CE1 3.46Å
113E83.6Confident83.5Confident105 Ų10558.5 Ų58.549%0.49127%0.274SS..Hα-helixtrans-56-36.6178-172.8177179.400113.1L115 I116 L136 L137E113-L115 VanDerWaalsContact C-N 3.26Å; E113-L115 PolarHBondContact O-N 2.87Å; E113-I116 WeakPolarHBondContact O-CG2 3.46Å; E113-L136 HydrophobicContact CB-CD1 3.93Å; E113-L136 HydrophobicContact CG-CD1 4.19Å; E113-L137 PolarHBondContact N-O 2.91Å
114S82.4Confident83.2Confident51 Ų5159.3 Ų59.336%0.35728%0.283SS..Hα-helixtrans-61-34.4175.955.60000112.7D69 S112D69-S114 VanDerWaalsContact CG-OG 3.22Å; D69-S114 PolarHBondContact OD1-OG 3.01Å; D69-S114 VanDerWaalsContact OD2-CB 3.31Å; D69-S114 WeakPolarHBondContact OD2-CB 3.2Å; D69-S114 PolarHBondContact OD2-OG 3.36Å; S112-S114 PolarHBondContact O-N 3.23Å; S112-S114 PolarHBondContact OG-OG 3.11Å
115L81.4Confident82.9Confident4 Ų455.6 Ų55.62%0.02128%0.277CS..Hα-helixtrans-97.7-24.5-171.9-64.3176.9000113.4G68 I86 S112 E113 K117 Q118 I119G68-L115 VanDerWaalsContact C-CD1 3.41Å; G68-L115 WeakPolarHBondContact O-CD1 3.44Å; I86-L115 HydrophobicContact CD1-CD2 3.81Å; I86-L115 HydrophobicContact CG1-CD1 4.16Å; I86-L115 HydrophobicContact CG1-CD2 3.72Å; S112-L115 PolarHBondContact O-N 2.95Å; E113-L115 VanDerWaalsContact C-N 3.26Å; E113-L115 PolarHBondContact O-N 2.87Å; L115-K117 PolarHBondContact O-N 2.79Å; L115-K117 VanDerWaalsContact O-N 3.12Å; L115-Q118 PolarHBondContact O-N 2.93Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 3.24Å; L115-I119 VanDerWaalsContact O-N 3.1Å
116I84.1Confident82.5Confident38 Ų3850.2 Ų50.220%0.19526%0.262CS..Hα-helixtrans-57.3-34.9-174-156.1165.7000112.9S112 E113 P120 F133 L136S112-I116 PolarHBondContact O-N 3.01Å; E113-I116 WeakPolarHBondContact O-CG2 3.46Å; I116-P120 WeakPolarHBondContact O-CD 3.46Å; I116-F133 HydrophobicContact CG1-CE1 4.33Å; I116-L136 HydrophobicContact CB-CD1 4.43Å; I116-L136 HydrophobicContact CD1-CB 4.03Å; I116-L136 HydrophobicContact CD1-CD1 3.76Å; I116-L136 HydrophobicContact CG2-CD1 4.17Å
117K83.6Confident82Confident176 Ų17649 Ų4977%0.76526%0.257SS*.THydrogen-bonded Turntrans-71.3-28.8177.9-64178-1761710112.7L115L115-K117 PolarHBondContact O-N 2.79Å; L115-K117 VanDerWaalsContact O-N 3.12Å
118Q82.2Confident81.9Confident93 Ų9351.4 Ų51.444%0.43527%0.27SS..THydrogen-bonded Turntrans-88.9-23.4-176.7-54.5-17320.200112.6L115 R121 I122L115-Q118 PolarHBondContact O-N 2.93Å; Q118-R121 WeakPolarHBondContact O-CB 3.31Å; Q118-R121 PolarHBondContact O-N 3.38Å; Q118-I122 HydrophobicContact CB-CD1 3.79Å; Q118-I122 HydrophobicContact CB-CG1 4.48Å; Q118-I122 WeakPolarHBondContact O-CG1 3.19Å; Q118-I122 PolarHBondContact O-N 3.28Å
119I81.3Confident81.5Confident6 Ų660 Ų603%0.03131%0.306CS..Hα-helixtrans-53-46.6-176.4-78167.5000113.9L67 A111 L115 R121 I122 L123 F133 P134L67-I119 HydrophobicContact CD1-CD1 4.3Å; A111-I119 HydrophobicContact CB-CD1 3.4Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 3.24Å; L115-I119 VanDerWaalsContact O-N 3.1Å; I119-R121 PolarHBondContact O-N 2.68Å; I119-I122 PolarHBondContact O-N 2.86Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 PolarHBondContact O-N 3.39Å; I119-F133 HydrophobicContact CG2-CE2 4.15Å; I119-P134 HydrophobicContact CD1-CB 4.33Å; I119-P134 HydrophobicContact CD1-CG 3.91Å; I119-P134 HydrophobicContact CG2-CG 4.27Å
120P82.3Confident81Confident72 Ų7262.3 Ų62.347%0.46833%0.325SS..Hα-helixtrans-61.2-32.5177.6-2434000113.4I116 G124 F133I116-P120 WeakPolarHBondContact O-CD 3.46Å; P120-G124 WeakPolarHBondContact O-CA 3.39Å; P120-G124 PolarHBondContact O-N 3.26Å; P120-F133 HydrophobicContact CG-CE2 4.22Å; P120-F133 HydrophobicContact CG-CZ 4.34Å
121R82.3Confident80.4Confident224 Ų22464 Ų6485%0.84534%0.341SS*.Hα-helixtrans-77.3-40.9-180-171.8178.7-179-174.90.7111.9Q118 I119Q118-R121 WeakPolarHBondContact O-CB 3.31Å; Q118-R121 PolarHBondContact O-N 3.38Å; I119-R121 PolarHBondContact O-N 2.68Å
122I80Confident80.2Confident19 Ų1966.2 Ų66.210%0.09735%0.351CS..Hα-helixtrans-80.8-52.6-175-61.5169.7000111.3L89 N93 Q118 I119 G124L89-I122 HydrophobicContact CB-CG2 4.35Å; L89-I122 WeakPolarHBondContact O-CG2 3.47Å; N93-I122 WeakPolarHBondContact CA-O 3.45Å; N93-I122 HydrophobicContact CB-CG2 4.33Å; N93-I122 PolarHBondContact OD1-O 3.43Å; Q118-I122 HydrophobicContact CB-CD1 3.79Å; Q118-I122 HydrophobicContact CB-CG1 4.48Å; Q118-I122 WeakPolarHBondContact O-CG1 3.19Å; Q118-I122 PolarHBondContact O-N 3.28Å; I119-I122 PolarHBondContact O-N 2.86Å; I122-G124 VanDerWaalsContact C-N 3.34Å
123L74.8Confident80Confident9 Ų970.4 Ų70.45%0.04737%0.37CS..THydrogen-bonded Turntrans-87.6-9-175.7-64.6175000112.5L67 L89 L92 V99 I119 L127L67-L123 HydrophobicContact CD1-CD1 4.38Å; L89-L123 HydrophobicContact CD2-CD1 3.93Å; L89-L123 HydrophobicContact CD2-CD2 4.03Å; L89-L123 HydrophobicContact CD2-CG 4.28Å; L92-L123 HydrophobicContact CB-CD2 4.03Å; L92-L123 HydrophobicContact CD1-CD2 4.41Å; V99-L123 HydrophobicContact CG2-CD2 4.07Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 PolarHBondContact O-N 3.39Å; L123-L127 HydrophobicContact CB-CD1 4.47Å; L123-L127 HydrophobicContact CD1-CD1 3.44Å; L123-L127 VanDerWaalsContact CD1-CD1 3.44Å; L123-L127 HydrophobicContact CD1-CG 4.31Å
124G75.5Confident80Confident25 Ų2565.7 Ų65.726%0.25835%0.348SS..THydrogen-bonded Turntrans62.4-164-177.900000112.4P120 I122 G126P120-G124 WeakPolarHBondContact O-CA 3.39Å; P120-G124 PolarHBondContact O-N 3.26Å; I122-G124 VanDerWaalsContact C-N 3.34Å; G124-G126 PolarHBondContact O-N 3.5Å
125P79.1Confident80.2Confident103 Ų10366 Ų6667%0.66935%0.35SS*.THydrogen-bonded Turntrans-72.32.9-178.730.6-36.1000113.8N128 K129P125-N128 PolarHBondContact O-N 2.92Å; P125-K129 VanDerWaalsContact O-CB 3.22Å; P125-K129 WeakPolarHBondContact O-CB 3.42Å; P125-K129 PolarHBondContact O-N 3.37Å
126G76.9Confident80.3Confident28 Ų2869.3 Ų69.329%0.28937%0.368SS..Hα-helixtrans-60.5-48.6-172.100000113.6G124 A130G124-G126 PolarHBondContact O-N 3.5Å; G126-A130 PolarHBondContact O-N 3.12Å
127L77.2Confident80.3Confident3 Ų367.5 Ų67.52%0.01636%0.358CS..Hα-helixtrans-71.3-40.1178.1-72.3-174.7000112.6V99 L102 A103 F109 L123 A130 G131 K132 P134V99-L127 HydrophobicContact CG1-CG 4.46Å; L102-L127 HydrophobicContact CD2-CD2 4.32Å; A103-L127 HydrophobicContact CB-CD2 3.87Å; F109-L127 HydrophobicContact CD2-CD1 4.47Å; F109-L127 HydrophobicContact CD2-CD2 4.12Å; F109-L127 HydrophobicContact CE2-CD2 3.67Å; F109-L127 HydrophobicContact CZ-CD2 4.17Å; L123-L127 HydrophobicContact CB-CD1 4.47Å; L123-L127 HydrophobicContact CD1-CD1 3.44Å; L123-L127 VanDerWaalsContact CD1-CD1 3.44Å; L123-L127 HydrophobicContact CD1-CG 4.31Å; L127-A130 WeakPolarHBondContact O-CB 3.08Å; L127-A130 PolarHBondContact O-N 3.31Å; L127-G131 PolarHBondContact O-N 3.03Å; L127-K132 PolarHBondContact O-N 3.24Å; L127-K132 VanDerWaalsContact O-N 3.14Å; L127-P134 HydrophobicContact CD1-CG 4.33Å
128N79.1Confident80.2Confident108 Ų10860.8 Ų60.858%0.57833%0.332SS*.Hα-helixtrans-66.4-41179.4-168.119.1000111.6P125 A130 G131 F133P125-N128 PolarHBondContact O-N 2.92Å; N128-A130 PolarHBondContact O-N 2.86Å; N128-G131 WeakPolarHBondContact O-CA 3.26Å; N128-G131 PolarHBondContact O-N 3.12Å; N128-F133 HydrophobicContact CB-CD2 4.48Å
129K76.4Confident79.9Confident195 Ų19560.2 Ų60.285%0.84833%0.329SS*.Hα-helixtrans-64.5-29.6175-169.5169.3-175.8170.80112.5P125 G131P125-K129 VanDerWaalsContact O-CB 3.22Å; P125-K129 WeakPolarHBondContact O-CB 3.42Å; P125-K129 PolarHBondContact O-N 3.37Å; K129-G131 PolarHBondContact O-N 3.11Å
130A77.3Confident79.7Confident50 Ų5067.8 Ų67.841%0.41337%0.37SS..THydrogen-bonded Turntrans-76-10.4172.100000113.2A103 G126 L127 N128 K132A103-A130 HydrophobicContact CB-CB 4.22Å; G126-A130 PolarHBondContact O-N 3.12Å; L127-A130 WeakPolarHBondContact O-CB 3.08Å; L127-A130 PolarHBondContact O-N 3.31Å; N128-A130 PolarHBondContact O-N 2.86Å; A130-K132 HydrophobicContact CB-CG 4.5Å; A130-K132 PolarHBondContact O-N 2.61Å
131G76.2Confident79.4Confident34 Ų3468.2 Ų68.235%0.35137%0.366SS..THydrogen-bonded Turntrans74.113.3-17700000114.1L127 N128 K129L127-G131 PolarHBondContact O-N 3.03Å; N128-G131 WeakPolarHBondContact O-CA 3.26Å; N128-G131 PolarHBondContact O-N 3.12Å; K129-G131 PolarHBondContact O-N 3.11Å
132K82.3Confident79.4Confident47 Ų4763.5 Ų63.520%0.20436%0.357CS..  trans-109.548.8-177.1-61.4-177.5174.1-175.80110.4A103 Y106 D107 F109 L127 A130A103-K132 WeakPolarHBondContact O-CD 3.45Å; A103-K132 PolarHBondContact O-NZ 2.94Å; Y106-K132 PolarHBondContact O-NZ 3.48Å; D107-K132 VanDerWaalsContact O-CD 3.31Å; D107-K132 WeakPolarHBondContact O-CD 3.45Å; D107-K132 WeakPolarHBondContact O-CE 3.36Å; D107-K132 IonicContact OD1-NZ 4Å; F109-K132 HydrophobicContact CD2-CB 4.11Å; F109-K132 HydrophobicContact CE2-CB 4.19Å; F109-K132 HydrophobicContact CE2-CD 4.39Å; L127-K132 PolarHBondContact O-N 3.24Å; L127-K132 VanDerWaalsContact O-N 3.14Å; A130-K132 HydrophobicContact CB-CG 4.5Å; A130-K132 PolarHBondContact O-N 2.61Å
133F81.5Confident79.4Confident89 Ų8963.1 Ų63.139%0.3936%0.355SS..PPolyproline II helixtrans-67.2135.1175.7-165.4-98.3000109I116 I119 P120 N128I116-F133 HydrophobicContact CG1-CE1 4.33Å; I119-F133 HydrophobicContact CG2-CE2 4.15Å; P120-F133 HydrophobicContact CG-CE2 4.22Å; P120-F133 HydrophobicContact CG-CZ 4.34Å; N128-F133 HydrophobicContact CB-CD2 4.48Å
134P83.8Confident79.8Confident5 Ų567.1 Ų67.13%0.03238%0.376CS..PPolyproline II helixtrans-61.3140.3-176.6-22.933.5000112.4L67 F109 A111 I119 L127L67-P134 HydrophobicContact CD1-CG 4.14Å; F109-P134 HydrophobicContact CB-CB 3.8Å; F109-P134 HydrophobicContact CB-CG 3.73Å; F109-P134 CarbonylContact O-C 3.55Å; F109-P134 WeakPolarHBondContact O-CA 3.49Å; A111-P134 HydrophobicContact CB-CB 3.56Å; A111-P134 HydrophobicContact CB-CG 4.35Å; I119-P134 HydrophobicContact CD1-CB 4.33Å; I119-P134 HydrophobicContact CD1-CG 3.91Å; I119-P134 HydrophobicContact CG2-CG 4.27Å; L127-P134 HydrophobicContact CD1-CG 4.33Å
135S86Confident80.3Confident57 Ų5769.3 Ų69.340%0.39939%0.385SS..EExtended strand (participates in β ladder)trans-80.7148.4168.2-65.40000109.8F109 L110 A111F109-S135 PolarHBondContact O-N 3.47Å; L110-S135 WeakPolarHBondContact CA-O 3.15Å; A111-S135 PolarHBondContact N-O 3.34Å
136L85Confident80.5Confident75 Ų7566.3 Ų66.339%0.39336%0.361SS..EExtended strand (participates in β ladder)trans-67134.7178.1-174.373.5000110.4E113 I116 T138E113-L136 HydrophobicContact CB-CD1 3.93Å; E113-L136 HydrophobicContact CG-CD1 4.19Å; I116-L136 HydrophobicContact CB-CD1 4.43Å; I116-L136 HydrophobicContact CD1-CB 4.03Å; I116-L136 HydrophobicContact CD1-CD1 3.76Å; I116-L136 HydrophobicContact CG2-CD1 4.17Å; L136-T138 HydrophobicContact CD2-CG2 4.06Å; L136-T138 HydrophobicContact CG-CG2 4.33Å
137L83.1Confident80.8Confident0 Ų065 Ų650%035%0.348CS..EExtended strand (participates in β ladder)trans-116.7125.3167.3-175.571.2000107.8V66 A111 E113 L143 K146V66-L137 HydrophobicContact CG1-CD2 4.28Å; A111-L137 PolarHBondContact O-N 3.26Å; E113-L137 PolarHBondContact N-O 2.91Å; L137-L143 HydrophobicContact CD1-CD1 4.08Å; L137-L143 HydrophobicContact CD2-CD1 3.47Å; L137-L143 VanDerWaalsContact CD2-CD1 3.47Å; L137-L143 HydrophobicContact CG-CD1 4.44Å; L137-K146 HydrophobicContact CD1-CB 3.94Å; L137-K146 HydrophobicContact CD1-CG 3.94Å
138T82.6Confident81.2Confident34 Ų3468.2 Ų68.221%0.20937%0.365CS..  trans-101.4152.117556.60000109.4L136 N140 E141L136-T138 HydrophobicContact CD2-CG2 4.06Å; L136-T138 HydrophobicContact CG-CG2 4.33Å; T138-N140 PolarHBondContact O-N 3.2Å; T138-E141 PolarHBondContact O-N 2.94Å; T138-E141 WeakPolarHBondContact OG1-CG 3.15Å
139H76.1Confident81.4Confident81 Ų8165.3 Ų65.338%0.37535%0.348SS..THydrogen-bonded Turntrans-69-13.7-179.3-62.780.7000113.5Q71 H72 S112Q71-H139 PolarHBondContact OE1-CD2 3.22Å; H72-H139 AromaticContact CD2-CD2 3.98Å; H72-H139 AromaticContact CD2-NE2 3.64Å; H72-H139 AromaticContact CE1-CD2 3.8Å; H72-H139 AromaticContact NE2-CD2 3.39Å; H72-H139 PolarHBondContact NE2-CD2 3.48Å; H72-H139 AromaticContact NE2-CE1 3.58Å; H72-H139 AromaticContact NE2-CG 3.65Å; H72-H139 AromaticContact NE2-ND1 3.77Å; H72-H139 AromaticContact NE2-NE2 3.37Å; H72-H139 PolarHBondContact NE2-NE2 2.89Å; S112-H139 PolarHBondContact OG-CE1 3.46Å
140N76.8Confident81.9Confident166 Ų16657 Ų5789%0.88831%0.313SS*.THydrogen-bonded Turntrans-88.4-10.5178.5-70.1-15.5000113.1T138T138-N140 PolarHBondContact O-N 3.2Å
141E76.3Confident82.2Confident81 Ų8157.2 Ų57.238%0.37931%0.305SS..SBendtrans-102.6137.3-177.5-74.2-179.6-165.900111.3T138 L143 K146T138-E141 PolarHBondContact O-N 2.94Å; T138-E141 WeakPolarHBondContact OG1-CG 3.15Å; E141-L143 PolarHBondContact O-N 2.8Å; E141-K146 IonicContact OE1-NZ 3.71Å; E141-K146 WeakPolarHBondContact OE2-CD 3.4Å; E141-K146 VanDerWaalsContact OE2-CE 3.24Å; E141-K146 WeakPolarHBondContact OE2-CE 3.4Å; E141-K146 IonicContact OE2-NZ 3.6Å; E141-K146 PolarHBondContact OE2-NZ 3.1Å
142N80.4Confident82.6Confident125 Ų12556 Ų5667%0.66829%0.292SS*.  trans-63.8124173.8-73-35.9000110.8N144 T145 K146N142-N144 VanDerWaalsContact C-N 3.3Å; N142-N144 PolarHBondContact O-N 3.21Å; N142-T145 PolarHBondContact O-N 3.5Å; N142-K146 PolarHBondContact O-N 3.05Å; N142-K146 VanDerWaalsContact O-N 3.09Å
143L80.9Confident82.7Confident11 Ų1156.2 Ų56.26%0.05830%0.297CS..Hα-helixtrans-53.9-45179.8-177.870.1000112.3V66 E75 A76 L81 L110 L137 E141 T145 K146 V147V66-L143 HydrophobicContact CG1-CD1 4.25Å; V66-L143 HydrophobicContact CG2-CD1 3.81Å; V66-L143 HydrophobicContact CG2-CD2 4.33Å; E75-L143 HydrophobicContact CB-CD2 4.18Å; A76-L143 VanDerWaalsContact CA-CD2 3.47Å; A76-L143 HydrophobicContact CB-CD2 3.81Å; L81-L143 HydrophobicContact CD1-CD2 3.84Å; L81-L143 HydrophobicContact CD1-CG 4.14Å; L110-L143 HydrophobicContact CD1-CD1 4.21Å; L137-L143 HydrophobicContact CD1-CD1 4.08Å; L137-L143 HydrophobicContact CD2-CD1 3.47Å; L137-L143 VanDerWaalsContact CD2-CD1 3.47Å; L137-L143 HydrophobicContact CG-CD1 4.44Å; E141-L143 PolarHBondContact O-N 2.8Å; L143-T145 PolarHBondContact O-N 2.88Å; L143-K146 PolarHBondContact O-N 3.11Å; L143-V147 HydrophobicContact CD1-CG2 4.35Å; L143-V147 HydrophobicContact CG-CG2 4.29Å; L143-V147 WeakPolarHBondContact O-CB 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.11Å
144N83.2Confident82.9Confident92 Ų9252.5 Ų52.549%0.49228%0.281SS..Hα-helixtrans-62.3-44.4-178.8-74-21.4000112.4A79 N142 K146 V147 D148A79-N144 WeakPolarHBondContact CB-OD1 3.28Å; N142-N144 VanDerWaalsContact C-N 3.3Å; N142-N144 PolarHBondContact O-N 3.21Å; N144-K146 VanDerWaalsContact C-N 3.29Å; N144-K146 PolarHBondContact O-N 3.14Å; N144-V147 PolarHBondContact O-N 3.38Å; N144-D148 PolarHBondContact O-N 3.49Å
145T85.4Confident83Confident72 Ų7256.8 Ų56.844%0.44230%0.299SS..Hα-helixtrans-61.5-42.1176.7-51.10000110.5N142 L143 D148 E149N142-T145 PolarHBondContact O-N 3.5Å; L143-T145 PolarHBondContact O-N 2.88Å; T145-D148 PolarHBondContact O-N 2.89Å; T145-E149 WeakPolarHBondContact O-CB 3.38Å; T145-E149 VanDerWaalsContact O-CG 3.31Å; T145-E149 WeakPolarHBondContact O-CG 3.44Å; T145-E149 PolarHBondContact O-N 3.46Å
146K83.8Confident83Confident39 Ų3954.2 Ų54.217%0.1728%0.281CS..Hα-helixtrans-68-37.8178.7-159.955.5156-152.10113L110 L137 E141 N142 L143 N144 D148 E149 V150L110-K146 HydrophobicContact CD1-CG 4.45Å; L110-K146 HydrophobicContact CD2-CG 4Å; L137-K146 HydrophobicContact CD1-CB 3.94Å; L137-K146 HydrophobicContact CD1-CG 3.94Å; E141-K146 IonicContact OE1-NZ 3.71Å; E141-K146 WeakPolarHBondContact OE2-CD 3.4Å; E141-K146 VanDerWaalsContact OE2-CE 3.24Å; E141-K146 WeakPolarHBondContact OE2-CE 3.4Å; E141-K146 IonicContact OE2-NZ 3.6Å; E141-K146 PolarHBondContact OE2-NZ 3.1Å; N142-K146 PolarHBondContact O-N 3.05Å; N142-K146 VanDerWaalsContact O-N 3.09Å; L143-K146 PolarHBondContact O-N 3.11Å; N144-K146 VanDerWaalsContact C-N 3.29Å; N144-K146 PolarHBondContact O-N 3.14Å; K146-D148 VanDerWaalsContact C-N 3.35Å; K146-E149 HydrophobicContact CD-CB 4.48Å; K146-E149 VanDerWaalsContact CD-OE2 3.24Å; K146-E149 WeakPolarHBondContact CD-OE2 3.22Å; K146-E149 IonicContact NZ-OE2 2.77Å; K146-E149 PolarHBondContact NZ-OE2 3.19Å; K146-E149 WeakPolarHBondContact O-CB 3.44Å; K146-E149 PolarHBondContact O-N 3.14Å; K146-V150 WeakPolarHBondContact O-CG2 3.49Å; K146-V150 PolarHBondContact O-N 3.14Å
147V83.8Confident82.9Confident2 Ų254.3 Ų54.31%0.01228%0.279CS..Hα-helixtrans-63.5-44175.1168.10000110.4V64 L81 L110 L143 N144 E149 V150 K151V64-V147 HydrophobicContact CB-CG1 4.32Å; V64-V147 HydrophobicContact CG1-CG2 4.41Å; V64-V147 HydrophobicContact CG2-CG1 4.21Å; L81-V147 HydrophobicContact CD1-CG1 4.48Å; L81-V147 HydrophobicContact CD1-CG2 3.7Å; L81-V147 HydrophobicContact CD2-CG1 4.36Å; L110-V147 HydrophobicContact CD1-CG2 3.53Å; L143-V147 HydrophobicContact CD1-CG2 4.35Å; L143-V147 HydrophobicContact CG-CG2 4.29Å; L143-V147 WeakPolarHBondContact O-CB 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.11Å; N144-V147 PolarHBondContact O-N 3.38Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-V150 PolarHBondContact O-N 3.38Å; V147-K151 HydrophobicContact CG1-CD 4.01Å; V147-K151 HydrophobicContact CG1-CG 4.41Å; V147-K151 WeakPolarHBondContact O-CB 3.45Å; V147-K151 VanDerWaalsContact O-CG 3.26Å; V147-K151 WeakPolarHBondContact O-CG 3.46Å; V147-K151 PolarHBondContact O-N 2.89Å
148D84.5Confident82.8Confident69 Ų6954.5 Ų54.537%0.36928%0.28SS..Hα-helixtrans-68.7-34.7177.7-72.8-16.5000112.1N144 T145 K146 K151 S152N144-D148 PolarHBondContact O-N 3.49Å; T145-D148 PolarHBondContact O-N 2.89Å; K146-D148 VanDerWaalsContact C-N 3.35Å; D148-K151 PolarHBondContact O-N 3.31Å; D148-K151 IonicContact OD1-NZ 3.02Å; D148-S152 WeakPolarHBondContact O-CB 3.21Å; D148-S152 PolarHBondContact O-N 2.88Å; D148-S152 PolarHBondContact O-OG 3.46Å
149E84.8Confident82.6Confident47 Ų4759.3 Ų59.322%0.2230%0.298CS..Hα-helixtrans-57.5-50.3169-79.2-175.3169.400111.7R53 T145 K146 V147 S152 T153R53-E149 VanDerWaalsContact CZ-CG 3.47Å; R53-E149 IonicContact CZ-OE1 2.77Å; R53-E149 IonicContact NH1-OE1 3.82Å; R53-E149 PolarHBondContact NH1-OE1 3.19Å; R53-E149 IonicContact NH2-OE1 3.85Å; T145-E149 WeakPolarHBondContact O-CB 3.38Å; T145-E149 VanDerWaalsContact O-CG 3.31Å; T145-E149 WeakPolarHBondContact O-CG 3.44Å; T145-E149 PolarHBondContact O-N 3.46Å; K146-E149 HydrophobicContact CD-CB 4.48Å; K146-E149 VanDerWaalsContact CD-OE2 3.24Å; K146-E149 WeakPolarHBondContact CD-OE2 3.22Å; K146-E149 IonicContact NZ-OE2 2.77Å; K146-E149 PolarHBondContact NZ-OE2 3.19Å; K146-E149 WeakPolarHBondContact O-CB 3.44Å; K146-E149 PolarHBondContact O-N 3.14Å; V147-E149 VanDerWaalsContact C-N 3.34Å; E149-S152 PolarHBondContact O-N 3.01Å; E149-T153 VanDerWaalsContact O-CB 3.32Å; E149-T153 WeakPolarHBondContact O-CB 3.26Å; E149-T153 PolarHBondContact O-N 3.5Å; E149-T153 PolarHBondContact O-OG1 2.91Å
150V85.1Confident82.8Confident20 Ų2063.3 Ų63.312%0.12131%0.314CS..Hα-helixtrans-65.2-41.5179.9171.50000111.3F62 V64 A108 L110 K146 V147 S152 T153F62-V150 HydrophobicContact CE1-CG1 4.13Å; V64-V150 HydrophobicContact CG2-CG1 4.23Å; A108-V150 HydrophobicContact CB-CG1 3.49Å; A108-V150 VanDerWaalsContact CB-CG1 3.49Å; L110-V150 HydrophobicContact CD2-CG2 3.91Å; K146-V150 WeakPolarHBondContact O-CG2 3.49Å; K146-V150 PolarHBondContact O-N 3.14Å; V147-V150 PolarHBondContact O-N 3.38Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.44Å; V150-T153 PolarHBondContact O-N 3.28Å
151K83.9Confident83Confident55 Ų5559.9 Ų59.924%0.23930%0.299CS..Hα-helixtrans-64.9-33.3176.8-71.6170.8-179.5166.50112.7L57 F62 V64 V147 D148 T153L57-K151 HydrophobicContact CD2-CB 3.27Å; L57-K151 HydrophobicContact CD2-CD 3.94Å; L57-K151 HydrophobicContact CD2-CG 4.26Å; F62-K151 HydrophobicContact CB-CG 4.39Å; F62-K151 HydrophobicContact CD1-CB 4.43Å; F62-K151 HydrophobicContact CD1-CG 3.91Å; V64-K151 HydrophobicContact CG2-CG 4.05Å; V147-K151 HydrophobicContact CG1-CD 4.01Å; V147-K151 HydrophobicContact CG1-CG 4.41Å; V147-K151 WeakPolarHBondContact O-CB 3.45Å; V147-K151 VanDerWaalsContact O-CG 3.26Å; V147-K151 WeakPolarHBondContact O-CG 3.46Å; V147-K151 PolarHBondContact O-N 2.89Å; D148-K151 PolarHBondContact O-N 3.31Å; D148-K151 IonicContact OD1-NZ 3.02Å; K151-T153 VanDerWaalsContact C-N 3.33Å
152S84.6Confident83.4Confident9 Ų959 Ų596%0.06330%0.296CS..Hα-helixtrans-85.3-11.7179.2-51.70000112.4L54 D148 E149 V150L54-S152 WeakPolarHBondContact CB-O 3.48Å; L54-S152 PolarHBondContact N-O 2.95Å; L54-S152 WeakPolarHBondContact O-CB 3.32Å; D148-S152 WeakPolarHBondContact O-CB 3.21Å; D148-S152 PolarHBondContact O-N 2.88Å; D148-S152 PolarHBondContact O-OG 3.46Å; E149-S152 PolarHBondContact O-N 3.01Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.44Å
153T85.7Confident83.7Confident51 Ų5157.1 Ų57.131%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-85.1129.1-179.3-63.10000111.3T51 V52 E149 V150 K151T51-T153 HydrophobicContact CG2-CG2 4.26Å; V52-T153 CarbonylContact O-C 3.5Å; V52-T153 WeakPolarHBondContact O-CA 3.3Å; E149-T153 VanDerWaalsContact O-CB 3.32Å; E149-T153 WeakPolarHBondContact O-CB 3.26Å; E149-T153 PolarHBondContact O-N 3.5Å; E149-T153 PolarHBondContact O-OG1 2.91Å; V150-T153 PolarHBondContact O-N 3.28Å; K151-T153 VanDerWaalsContact C-N 3.33Å
154I85.6Confident84Confident12 Ų1257.4 Ų57.46%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-105.4139.7173.2-73.6177.1000109.2T51 V52 L54 P58 F156 V166 A167 V168T51-I154 CarbonylContact C-O 3.56Å; T51-I154 VanDerWaalsContact CA-O 3.24Å; T51-I154 WeakPolarHBondContact CA-O 3.29Å; V52-I154 HydrophobicContact CG1-CB 3.95Å; V52-I154 HydrophobicContact CG1-CG2 4.21Å; V52-I154 PolarHBondContact N-O 3.38Å; V52-I154 PolarHBondContact O-N 2.88Å; L54-I154 HydrophobicContact CD1-CD1 3.15Å; L54-I154 HydrophobicContact CD1-CG1 4.1Å; L54-I154 HydrophobicContact CD2-CD1 4.11Å; L54-I154 HydrophobicContact CG-CD1 3.54Å; L54-I154 HydrophobicContact CG-CG1 4.17Å; P58-I154 HydrophobicContact CG-CD1 4.4Å; P58-I154 HydrophobicContact CG-CG1 4.29Å; I154-F156 HydrophobicContact CG2-CD2 4.25Å; I154-F156 HydrophobicContact CG2-CE2 3.96Å; I154-F156 HydrophobicContact CG2-CZ 4.31Å; I154-V166 HydrophobicContact CB-CG1 4.34Å; I154-V166 HydrophobicContact CD1-CG1 3.81Å; I154-V166 HydrophobicContact CG1-CG1 4.31Å; I154-V166 HydrophobicContact CG2-CB 4.35Å; I154-V166 HydrophobicContact CG2-CG1 3.2Å; I154-V166 HydrophobicContact CG2-CG2 4.22Å; I154-A167 WeakPolarHBondContact CD1-O 3.44Å; I154-V168 HydrophobicContact CD1-CG1 4.43Å
155K85.3Confident84.3Confident95 Ų9556.1 Ų56.141%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-108.1118173.5-172.4176.1-178.5176.20111S49 T51 Q157S49-K155 WeakPolarHBondContact OG-CE 2.95Å; T51-K155 HydrophobicContact CG2-CB 4.11Å; T51-K155 HydrophobicContact CG2-CG 4Å; K155-Q157 HydrophobicContact CG-CB 4.34Å
156F85.7Confident84.4Confident2 Ų253.3 Ų53.31%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-87.2109.3163.3-69.9-78.7000108.6I35 S49 G50 V52 I154 V166 A185 F188 L189 L192I35-F156 HydrophobicContact CD1-CE1 3.97Å; S49-F156 CarbonylContact C-O 3.57Å; S49-F156 VanDerWaalsContact CA-O 3.29Å; S49-F156 WeakPolarHBondContact CA-O 3.47Å; G50-F156 PolarHBondContact N-O 3.47Å; G50-F156 PolarHBondContact O-N 2.87Å; V52-F156 HydrophobicContact CG1-CD2 4.21Å; V52-F156 HydrophobicContact CG1-CE2 3.74Å; I154-F156 HydrophobicContact CG2-CD2 4.25Å; I154-F156 HydrophobicContact CG2-CE2 3.96Å; I154-F156 HydrophobicContact CG2-CZ 4.31Å; F156-V166 HydrophobicContact CD1-CG2 3.65Å; F156-V166 HydrophobicContact CE1-CB 3.96Å; F156-V166 HydrophobicContact CE1-CG1 4.17Å; F156-V166 HydrophobicContact CE1-CG2 3.5Å; F156-V166 HydrophobicContact CG-CG2 4.47Å; F156-V166 HydrophobicContact CZ-CB 4.38Å; F156-V166 HydrophobicContact CZ-CG1 4.1Å; F156-V166 HydrophobicContact CZ-CG2 4.21Å; F156-A185 HydrophobicContact CE2-CB 4.45Å; F156-A185 HydrophobicContact CZ-CB 4.05Å; F156-F188 AromaticContact CD2-CD1 3.85Å; F156-F188 HydrophobicContact CD2-CD1 3.85Å; F156-F188 HydrophobicContact CD2-CE1 4.2Å; F156-F188 HydrophobicContact CE2-CD1 4.18Å; F156-L189 HydrophobicContact CB-CD1 4.23Å; F156-L189 HydrophobicContact CD1-CD1 3.73Å; F156-L189 HydrophobicContact CD1-CD2 4.46Å; F156-L189 HydrophobicContact CD1-CG 4.47Å; F156-L189 HydrophobicContact CE1-CB 4.36Å; F156-L189 HydrophobicContact CE1-CD1 4.27Å; F156-L189 HydrophobicContact CE1-CD2 4.25Å; F156-L189 HydrophobicContact CG-CD1 4.01Å; F156-L189 HydrophobicContact CZ-CB 4.42Å; F156-L192 HydrophobicContact CB-CD1 4.36Å
157Q82.7Confident84.6Confident78 Ų7851.8 Ų51.836%0.36427%0.274SS..EExtended strand (participates in β ladder)trans-124.7115.9176.6-174.5178-0.300110.5K155 K159 L164K155-Q157 HydrophobicContact CG-CB 4.34Å; Q157-K159 HydrophobicContact CG-CG 4.48Å; Q157-K159 PolarHBondContact O-N 3.13Å; Q157-L164 WeakPolarHBondContact O-CD2 3.16Å
158M81.1Confident84.8Confident4 Ų451.7 Ų51.72%0.0227%0.273CS..  trans-78.6117.2170.9-169.5168.7-177.300110.4L37 Y40 P42 F48 L162L37-M158 HydrophobicContact CD1-CE 4.2Å; L37-M158 HydrophobicContact CD1-SD 4.04Å; Y40-M158 HydrophobicContact CD1-CE 3.21Å; Y40-M158 HydrophobicContact CD1-SD 3.74Å; Y40-M158 HydrophobicContact CE1-CE 3.37Å; Y40-M158 HydrophobicContact CE1-SD 3.3Å; Y40-M158 WeakPolarHBondContact CE1-SD 3.48Å; Y40-M158 HydrophobicContact CG-CE 4.1Å; P42-M158 HydrophobicContact CG-CE 4.31Å; F48-M158 HydrophobicContact CD1-CB 4.09Å; F48-M158 HydrophobicContact CD1-SD 4.03Å; F48-M158 HydrophobicContact CE1-CB 3.89Å; F48-M158 HydrophobicContact CE1-CG 4.31Å; F48-M158 HydrophobicContact CE1-SD 3.52Å; F48-M158 VanDerWaalsContact CE1-SD 3.52Å; F48-M158 HydrophobicContact CE2-CB 4.41Å; F48-M158 HydrophobicContact CG-CB 4.44Å; F48-M158 HydrophobicContact CZ-CB 4.07Å; F48-M158 HydrophobicContact CZ-SD 4.3Å; F48-M158 PolarHBondContact O-N 3.29Å; M158-L162 HydrophobicContact CE-CD2 3.73Å
159K78.5Confident84.9Confident135 Ų13548.4 Ų48.459%0.58726%0.255SS*.  trans-94.3-113.1174.6-66.3-176.3179.5176.40109.8R47 Q157R47-K159 PolarHBondContact NE-O 3.48Å; Q157-K159 HydrophobicContact CG-CG 4.48Å; Q157-K159 PolarHBondContact O-N 3.13Å
160K79.9Confident85.1Confident165 Ų16547.6 Ų47.672%0.71725%0.252SS*.SBendtrans-109.4-10.1177.4-65.3-174.1177.1-173.30113.2
161V81.8Confident85Confident93 Ų9348.1 Ų48.156%0.56426%0.255SS*.  trans-104.8143.6-172.6-167.90000109C163V161-C163 VanDerWaalsContact C-N 3.32Å; V161-C163 HydrophobicContact CG1-CB 4.29Å
162L84.7Confident85Confident62 Ų6253.3 Ų53.333%0.32528%0.277SS..SBendtrans-81.9-12.7179.9-61175.8000113.4L37 Y40 P42 M158L37-L162 HydrophobicContact CB-CB 4.41Å; L37-L162 WeakPolarHBondContact CB-O 3.22Å; L37-L162 WeakPolarHBondContact CG-O 3.41Å; L37-L162 PolarHBondContact N-O 3.01Å; Y40-L162 WeakPolarHBondContact O-CD2 3.34Å; P42-L162 HydrophobicContact CG-CD2 3.98Å; M158-L162 HydrophobicContact CE-CD2 3.73Å
163C86.5Confident85Confident86 Ų8653.7 Ų53.758%0.58128%0.278SS*.EExtended strand (participates in β ladder)trans-96126.4174-58.50000109.8I35 V161I35-C163 CarbonylContact O-C 3.3Å; I35-C163 VanDerWaalsContact O-CA 3.24Å; I35-C163 WeakPolarHBondContact O-CA 3.42Å; V161-C163 VanDerWaalsContact C-N 3.32Å; V161-C163 HydrophobicContact CG1-CB 4.29Å
164L87.6Confident85.1Confident18 Ų1854.9 Ų54.99%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-115.9140.1176.8-61.6168.8000108.5Q34 I35 L37 F48 Q157 L189Q34-L164 CarbonylContact C-O 3.58Å; Q34-L164 VanDerWaalsContact CA-O 3.32Å; Q34-L164 WeakPolarHBondContact CA-O 3.5Å; I35-L164 HydrophobicContact CD1-CB 4.39Å; I35-L164 PolarHBondContact N-O 3.38Å; I35-L164 PolarHBondContact O-N 2.87Å; L37-L164 HydrophobicContact CD1-CD1 4.19Å; F48-L164 HydrophobicContact CE2-CD1 4.27Å; F48-L164 HydrophobicContact CZ-CD1 3.87Å; Q157-L164 WeakPolarHBondContact O-CD2 3.16Å; L164-L189 HydrophobicContact CD1-CD1 4.33Å
165A88.3Confident85.2Confident64 Ų6458 Ų5853%0.52930%0.3SS..EExtended strand (participates in β ladder)trans-129.8133.2175.900000109.2L33 Q34L33-A165 WeakPolarHBondContact O-CA 3.31Å; Q34-A165 HydrophobicContact CG-CB 4.16Å
166V88.3Confident85.4Confident14 Ų1458.1 Ų58.19%0.08531%0.305CS..EExtended strand (participates in β ladder)trans-141.3136.5-174.1160.70000109.2E32 L33 I154 F156 V168E32-V166 CarbonylContact C-O 3.5Å; E32-V166 VanDerWaalsContact CA-O 3.25Å; E32-V166 WeakPolarHBondContact CA-O 3.27Å; L33-V166 PolarHBondContact N-O 3.35Å; L33-V166 PolarHBondContact O-N 3.32Å; I154-V166 HydrophobicContact CB-CG1 4.34Å; I154-V166 HydrophobicContact CD1-CG1 3.81Å; I154-V166 HydrophobicContact CG1-CG1 4.31Å; I154-V166 HydrophobicContact CG2-CB 4.35Å; I154-V166 HydrophobicContact CG2-CG1 3.2Å; I154-V166 HydrophobicContact CG2-CG2 4.22Å; F156-V166 HydrophobicContact CD1-CG2 3.65Å; F156-V166 HydrophobicContact CE1-CB 3.96Å; F156-V166 HydrophobicContact CE1-CG1 4.17Å; F156-V166 HydrophobicContact CE1-CG2 3.5Å; F156-V166 HydrophobicContact CG-CG2 4.47Å; F156-V166 HydrophobicContact CZ-CB 4.38Å; F156-V166 HydrophobicContact CZ-CG1 4.1Å; F156-V166 HydrophobicContact CZ-CG2 4.21Å; V166-V168 HydrophobicContact CG1-CG1 4.15Å
167A89.1Confident85.5Confident7 Ų761.7 Ų61.76%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-82120.8173.500000110V31 R59 I154V31-A167 WeakPolarHBondContact O-CA 3.36Å; R59-A167 HydrophobicContact CG-CB 4.12Å; I154-A167 WeakPolarHBondContact CD1-O 3.44Å
168V86.9Confident85.7Confident0 Ų058.1 Ų58.10%031%0.305CS..EExtended strand (participates in β ladder)trans-107.1-8.6-176.4-69.50000113V31 L33 I154 V166 N181 I182 A185V31-V168 HydrophobicContact CB-CG2 4.48Å; V31-V168 HydrophobicContact CG1-CG2 4.06Å; V31-V168 WeakPolarHBondContact O-CG2 3.24Å; V31-V168 PolarHBondContact O-N 3.36Å; L33-V168 HydrophobicContact CB-CG1 3.64Å; L33-V168 HydrophobicContact CB-CG2 4.17Å; L33-V168 HydrophobicContact CD2-CG1 4.29Å; I154-V168 HydrophobicContact CD1-CG1 4.43Å; V166-V168 HydrophobicContact CG1-CG1 4.15Å; V168-N181 WeakPolarHBondContact O-CB 3.47Å; V168-N181 PolarHBondContact O-ND2 3.3Å; V168-N181 VanDerWaalsContact O-ND2 3.11Å; V168-I182 HydrophobicContact CB-CG1 4.3Å; V168-I182 HydrophobicContact CG2-CG1 3.82Å; V168-A185 HydrophobicContact CG1-CB 3.98Å
169G87.6Confident86.1Confident0 Ų058.2 Ų58.20%031%0.306CS..EExtended strand (participates in β ladder)trans177.5-169.4-178.600000113.5S30 V31 P58S30-G169 WeakPolarHBondContact CA-O 3.31Å; V31-G169 PolarHBondContact N-O 3.27Å; V31-G169 PolarHBondContact O-N 2.9Å; P58-G169 CarbonylContact O-C 3.56Å
170H87.6Confident86.6Confident30 Ų3057.5 Ų57.514%0.13930%0.3CS..EExtended strand (participates in β ladder)trans-140.8161173.163.9-86.6000110.5V28 E29 L57 K172 M173V28-H170 HydrophobicContact CG1-CB 4.07Å; E29-H170 WeakPolarHBondContact O-CA 3.33Å; E29-H170 WeakPolarHBondContact O-CB 3.17Å; L57-H170 PolarHBondContact O-ND1 3.01Å; H170-K172 PolarHBondContact O-N 2.83Å; H170-K172 VanDerWaalsContact O-N 3.13Å; H170-M173 VanDerWaalsContact CE1-CG 3.5Å; H170-M173 WeakPolarHBondContact CE1-CG 3.24Å; H170-M173 WeakPolarHBondContact ND1-CE 3.22Å; H170-M173 WeakPolarHBondContact O-CB 3.49Å; H170-M173 PolarHBondContact O-N 2.78Å; H170-M173 VanDerWaalsContact O-N 3.1Å
171V82.8Confident87.1Confident31 Ų3149.7 Ų49.719%0.18827%0.266CS..THydrogen-bonded Turntrans-65.6-18.2-169.5173.70000114.6L17 E29 V31 M173L17-V171 HydrophobicContact CD2-CB 4.33Å; L17-V171 HydrophobicContact CD2-CG1 3.92Å; E29-V171 HydrophobicContact CB-CG2 3.73Å; E29-V171 PolarHBondContact O-N 2.89Å; V31-V171 HydrophobicContact CG2-CG2 4.32Å; V171-M173 VanDerWaalsContact C-N 3.29Å
172K84.3Confident87.4Confident164 Ų16445.2 Ų45.271%0.71324%0.24SC*.THydrogen-bonded Turntrans-81.1-6.1176.3-60.6-176.5169.2-173.70114.1V28 H170V28-K172 HydrophobicContact CG1-CD 4.4Å; V28-K172 HydrophobicContact CG1-CG 4.16Å; V28-K172 HydrophobicContact CG2-CD 4.18Å; H170-K172 PolarHBondContact O-N 2.83Å; H170-K172 VanDerWaalsContact O-N 3.13Å
173M84.6Confident87.6Confident16 Ų1645.9 Ų45.98%0.07924%0.241CC..SBendtrans-73.1156.4175.6-69.8-178.9161.500111T56 L57 H170 V171 L178T56-M173 VanDerWaalsContact OG1-CE 3.3Å; T56-M173 WeakPolarHBondContact OG1-CE 3.27Å; L57-M173 VanDerWaalsContact C-CE 3.49Å; L57-M173 WeakPolarHBondContact O-CE 3.48Å; H170-M173 VanDerWaalsContact CE1-CG 3.5Å; H170-M173 WeakPolarHBondContact CE1-CG 3.24Å; H170-M173 WeakPolarHBondContact ND1-CE 3.22Å; H170-M173 WeakPolarHBondContact O-CB 3.49Å; H170-M173 PolarHBondContact O-N 2.78Å; H170-M173 VanDerWaalsContact O-N 3.1Å; V171-M173 VanDerWaalsContact C-N 3.29Å; M173-L178 HydrophobicContact CB-CD1 4.2Å; M173-L178 HydrophobicContact CB-CD2 4.23Å; M173-L178 HydrophobicContact CB-CG 3.83Å; M173-L178 HydrophobicContact SD-CD2 3.9Å; M173-L178 HydrophobicContact SD-CG 4.37Å
174T88.6Confident87.8Confident77 Ų7744 Ų4447%0.47223%0.225SC..  trans-70.6155.5171.161.10000111.1D176 E177 L178T174-D176 VanDerWaalsContact C-N 3.28Å; T174-D176 PolarHBondContact O-N 3.06Å; T174-E177 PolarHBondContact N-OE2 3.49Å; T174-E177 PolarHBondContact O-N 2.94Å; T174-E177 WeakPolarHBondContact OG1-CB 3.41Å; T174-E177 WeakPolarHBondContact OG1-CG 3.25Å; T174-E177 PolarHBondContact OG1-N 3.21Å; T174-E177 PolarHBondContact OG1-OE2 3.08Å; T174-L178 PolarHBondContact O-N 3.46Å; T174-L178 VanDerWaalsContact O-N 3.13Å
175E87.7Confident87.8Confident77 Ų7743.1 Ų43.136%0.3622%0.22SC..Hα-helixtrans-57.2-42.8178.6-70.6179.4-176.200111.6V13 L17 E177 L178 V179V13-E175 HydrophobicContact CG1-CB 4.48Å; V13-E175 HydrophobicContact CG1-CG 4.38Å; L17-E175 HydrophobicContact CD1-CG 3.48Å; L17-E175 VanDerWaalsContact CD1-CG 3.48Å; E175-E177 PolarHBondContact O-N 2.95Å; E175-L178 PolarHBondContact O-N 2.77Å; E175-V179 WeakPolarHBondContact O-CG2 3.46Å; E175-V179 PolarHBondContact O-N 2.96Å
176D88.4Confident87.9Confident97 Ų9740.3 Ų40.352%0.51920%0.196SC..Hα-helixtrans-64-41.9179.8-72.5-43.2000113.1Y10 T174 L178 V179 Y180Y10-D176 WeakPolarHBondContact CE1-OD1 3.43Å; Y10-D176 VanDerWaalsContact CZ-OD1 3.31Å; Y10-D176 PolarHBondContact OH-OD1 3.02Å; T174-D176 VanDerWaalsContact C-N 3.28Å; T174-D176 PolarHBondContact O-N 3.06Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-V179 PolarHBondContact O-N 3.41Å; D176-Y180 WeakPolarHBondContact O-CB 3.42Å; D176-Y180 PolarHBondContact O-N 2.95Å
177E88.3Confident88Confident78 Ų7842.3 Ų42.336%0.36421%0.207SC..Hα-helixtrans-64.7-40.5177.1-72.9171.3145.700111.6T56 T174 E175 N181T56-E177 HydrophobicContact CG2-CB 4.2Å; T56-E177 HydrophobicContact CG2-CG 3.93Å; T174-E177 PolarHBondContact N-OE2 3.49Å; T174-E177 PolarHBondContact O-N 2.94Å; T174-E177 WeakPolarHBondContact OG1-CB 3.41Å; T174-E177 WeakPolarHBondContact OG1-CG 3.25Å; T174-E177 PolarHBondContact OG1-N 3.21Å; T174-E177 PolarHBondContact OG1-OE2 3.08Å; E175-E177 PolarHBondContact O-N 2.95Å; E177-N181 WeakPolarHBondContact O-CB 3.29Å; E177-N181 PolarHBondContact O-N 2.77Å
178L87.6Confident88Confident2 Ų244.7 Ų44.71%0.0122%0.216CC..Hα-helixtrans-65.2-48.1176.8-77.6169.4000111.3V13 L17 V31 M173 T174 E175 D176 Y180 N181 I182V13-L178 HydrophobicContact CG1-CB 3.97Å; V13-L178 HydrophobicContact CG1-CD1 3.96Å; V13-L178 HydrophobicContact CG2-CB 4.48Å; L17-L178 HydrophobicContact CD1-CD1 4.29Å; L17-L178 HydrophobicContact CD2-CD1 4.02Å; L17-L178 HydrophobicContact CG-CD1 4.42Å; V31-L178 HydrophobicContact CB-CD2 4.31Å; V31-L178 HydrophobicContact CG2-CD2 4.23Å; M173-L178 HydrophobicContact CB-CD1 4.2Å; M173-L178 HydrophobicContact CB-CD2 4.23Å; M173-L178 HydrophobicContact CB-CG 3.83Å; M173-L178 HydrophobicContact SD-CD2 3.9Å; M173-L178 HydrophobicContact SD-CG 4.37Å; T174-L178 PolarHBondContact O-N 3.46Å; T174-L178 VanDerWaalsContact O-N 3.13Å; E175-L178 PolarHBondContact O-N 2.77Å; D176-L178 VanDerWaalsContact C-N 3.34Å; L178-Y180 VanDerWaalsContact C-N 3.31Å; L178-Y180 PolarHBondContact O-N 2.93Å; L178-N181 PolarHBondContact O-N 2.77Å; L178-I182 WeakPolarHBondContact O-CB 3.23Å; L178-I182 WeakPolarHBondContact O-CD1 3.38Å; L178-I182 WeakPolarHBondContact O-CG1 3.41Å; L178-I182 PolarHBondContact O-N 3.34Å
179V89.8Confident87.9Confident7 Ų744.8 Ų44.84%0.04222%0.216CC..Hα-helixtrans-59.6-43.8178170.70000110.7L9 Y10 V13 E175 D176 I182 H183L9-V179 HydrophobicContact CB-CG1 4.18Å; L9-V179 HydrophobicContact CB-CG2 4.46Å; Y10-V179 HydrophobicContact CD1-CG2 3.83Å; Y10-V179 HydrophobicContact CE1-CB 4.41Å; Y10-V179 HydrophobicContact CE1-CG2 3.93Å; Y10-V179 HydrophobicContact CE2-CG1 4.2Å; Y10-V179 HydrophobicContact CG-CG2 4.13Å; V13-V179 HydrophobicContact CB-CG2 4.28Å; V13-V179 HydrophobicContact CG2-CG2 3.92Å; E175-V179 WeakPolarHBondContact O-CG2 3.46Å; E175-V179 PolarHBondContact O-N 2.96Å; D176-V179 PolarHBondContact O-N 3.41Å; V179-I182 PolarHBondContact O-N 3.27Å; V179-H183 VanDerWaalsContact O-CB 3.29Å; V179-H183 WeakPolarHBondContact O-CB 3.38Å; V179-H183 PolarHBondContact O-N 3.05Å
180Y89.1Confident87.9Confident119 Ų11945.3 Ų45.347%0.46722%0.219SC..Hα-helixtrans-60.6-47.4177.1-175.9-96.7000112K55 D176 L178 I182 H183 L184K55-Y180 HydrophobicContact CB-CD1 4.23Å; K55-Y180 HydrophobicContact CB-CE1 3.93Å; K55-Y180 HydrophobicContact CD-CE1 4.16Å; D176-Y180 WeakPolarHBondContact O-CB 3.42Å; D176-Y180 PolarHBondContact O-N 2.95Å; L178-Y180 VanDerWaalsContact C-N 3.31Å; L178-Y180 PolarHBondContact O-N 2.93Å; Y180-I182 PolarHBondContact O-N 3.34Å; Y180-H183 PolarHBondContact O-N 2.95Å; Y180-L184 HydrophobicContact CE1-CD1 4.02Å; Y180-L184 WeakPolarHBondContact O-CB 3.29Å; Y180-L184 PolarHBondContact O-N 3.29Å
181N89.6Confident88Confident1 Ų147.6 Ų47.61%0.00524%0.239CC..Hα-helixtrans-62.7-43178.1-78.3-8.8000112.4L54 T56 V168 E177 L178 L184 A185L54-N181 HydrophobicContact CD1-CB 3.97Å; L54-N181 HydrophobicContact CD2-CB 4.26Å; T56-N181 PolarHBondContact OG1-ND2 2.96Å; V168-N181 WeakPolarHBondContact O-CB 3.47Å; V168-N181 PolarHBondContact O-ND2 3.3Å; V168-N181 VanDerWaalsContact O-ND2 3.11Å; E177-N181 WeakPolarHBondContact O-CB 3.29Å; E177-N181 PolarHBondContact O-N 2.77Å; L178-N181 PolarHBondContact O-N 2.77Å; N181-L184 PolarHBondContact O-N 3.01Å; N181-A185 WeakPolarHBondContact O-CB 3.4Å; N181-A185 PolarHBondContact O-N 3.36Å
182I88.9Confident88.1Confident0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-63.6-46.2178.1-67.3157.4000110.1L9 V13 L33 V168 L178 V179 Y180 L184 A185 V186 I205 L215L9-I182 HydrophobicContact CD2-CB 4.26Å; L9-I182 HydrophobicContact CD2-CG2 3.46Å; L9-I182 VanDerWaalsContact CD2-CG2 3.46Å; V13-I182 HydrophobicContact CG2-CD1 3.55Å; L33-I182 HydrophobicContact CD1-CG2 4.45Å; V168-I182 HydrophobicContact CB-CG1 4.3Å; V168-I182 HydrophobicContact CG2-CG1 3.82Å; L178-I182 WeakPolarHBondContact O-CB 3.23Å; L178-I182 WeakPolarHBondContact O-CD1 3.38Å; L178-I182 WeakPolarHBondContact O-CG1 3.41Å; L178-I182 PolarHBondContact O-N 3.34Å; V179-I182 PolarHBondContact O-N 3.27Å; Y180-I182 PolarHBondContact O-N 3.34Å; I182-L184 PolarHBondContact O-N 2.88Å; I182-A185 PolarHBondContact O-N 3.2Å; I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 WeakPolarHBondContact O-CB 3.32Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.24Å; I182-V186 PolarHBondContact O-N 3.05Å; I182-I205 HydrophobicContact CD1-CD1 3.66Å; I182-I205 HydrophobicContact CD1-CG1 4.32Å; I182-I205 HydrophobicContact CG1-CD1 4.49Å; I182-I205 HydrophobicContact CG2-CD1 4.3Å; I182-L215 HydrophobicContact CG2-CD1 4.19Å
183H88.9Confident88.1Confident75 Ų7540.9 Ų40.935%0.34721%0.209SC..Hα-helixtrans-60.7-45.6178.9-178.8-104.1000111.8V179 Y180 V186 N187V179-H183 VanDerWaalsContact O-CB 3.29Å; V179-H183 WeakPolarHBondContact O-CB 3.38Å; V179-H183 PolarHBondContact O-N 3.05Å; Y180-H183 PolarHBondContact O-N 2.95Å; H183-V186 PolarHBondContact O-N 3.03Å; H183-N187 PolarHBondContact CE1-ND2 3.28Å; H183-N187 PolarHBondContact ND1-ND2 3.48Å; H183-N187 PolarHBondContact NE2-ND2 2.64Å; H183-N187 WeakPolarHBondContact O-CB 3.16Å; H183-N187 VanDerWaalsContact O-CG 3.3Å; H183-N187 PolarHBondContact O-N 3.1Å; H183-N187 PolarHBondContact O-ND2 2.95Å; H183-N187 VanDerWaalsContact O-ND2 3.13Å
184L89.4Confident88Confident47 Ų4749.2 Ų49.225%0.24625%0.245CC..Hα-helixtrans-64.3-42.5177.8-170.9133.8000111.8V52 L54 Y180 N181 I182 F188V52-L184 HydrophobicContact CG2-CD2 3.28Å; V52-L184 HydrophobicContact CG2-CG 4.4Å; L54-L184 HydrophobicContact CD2-CD2 3.71Å; Y180-L184 HydrophobicContact CE1-CD1 4.02Å; Y180-L184 WeakPolarHBondContact O-CB 3.29Å; Y180-L184 PolarHBondContact O-N 3.29Å; N181-L184 PolarHBondContact O-N 3.01Å; I182-L184 PolarHBondContact O-N 2.88Å; L184-F188 VanDerWaalsContact O-CB 3.31Å; L184-F188 WeakPolarHBondContact O-CB 3.03Å; L184-F188 PolarHBondContact O-N 3.07Å
185A89.1Confident87.9Confident0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-63-45.4176.700000112.9L33 F156 V168 N181 I182 L189L33-A185 HydrophobicContact CD2-CB 4.11Å; F156-A185 HydrophobicContact CE2-CB 4.45Å; F156-A185 HydrophobicContact CZ-CB 4.05Å; V168-A185 HydrophobicContact CG1-CB 3.98Å; N181-A185 WeakPolarHBondContact O-CB 3.4Å; N181-A185 PolarHBondContact O-N 3.36Å; I182-A185 PolarHBondContact O-N 3.2Å; A185-L189 WeakPolarHBondContact O-CB 3.45Å; A185-L189 PolarHBondContact O-N 3.38Å
186V89.6Confident87.9Confident5 Ų551.6 Ų51.63%0.0325%0.252CS..Hα-helixtrans-65.1-47.5178.7170.20000110.9V4 L33 I182 H183 F188 L189 V190 W197 L203V4-V186 HydrophobicContact CG2-CG1 4.4Å; L33-V186 HydrophobicContact CD1-CG2 4.27Å; L33-V186 HydrophobicContact CD2-CG2 3.71Å; I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 WeakPolarHBondContact O-CB 3.32Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.24Å; I182-V186 PolarHBondContact O-N 3.05Å; H183-V186 PolarHBondContact O-N 3.03Å; V186-F188 PolarHBondContact O-N 3.42Å; V186-L189 PolarHBondContact O-N 3.35Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.29Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 3.09Å; V186-W197 HydrophobicContact CG1-CH2 3.56Å; V186-W197 HydrophobicContact CG1-CZ2 3.99Å; V186-L203 HydrophobicContact CG1-CD1 3.86Å; V186-L203 HydrophobicContact CG2-CD1 4.13Å
187N89.3Confident87.8Confident56 Ų5648.3 Ų48.330%0.29923%0.232SC..Hα-helixtrans-63.9-43.1-179.4-73.4-31.5000112.1H183 V190 S191H183-N187 PolarHBondContact CE1-ND2 3.28Å; H183-N187 PolarHBondContact ND1-ND2 3.48Å; H183-N187 PolarHBondContact NE2-ND2 2.64Å; H183-N187 WeakPolarHBondContact O-CB 3.16Å; H183-N187 VanDerWaalsContact O-CG 3.3Å; H183-N187 PolarHBondContact O-N 3.1Å; H183-N187 PolarHBondContact O-ND2 2.95Å; H183-N187 VanDerWaalsContact O-ND2 3.13Å; N187-V190 PolarHBondContact O-N 2.74Å; N187-S191 PolarHBondContact O-N 2.85Å; N187-S191 VanDerWaalsContact O-N 3.07Å
188F89.1Confident87.7Confident56 Ų5651 Ų5125%0.24624%0.244CC..Hα-helixtrans-61.4-45.9175.7-177.5-101.7000111.3T51 V52 F156 L184 V186 V190 S191 L192T51-F188 WeakPolarHBondContact O-CZ 3.49Å; V52-F188 HydrophobicContact CB-CB 4.27Å; V52-F188 HydrophobicContact CB-CD1 3.6Å; V52-F188 HydrophobicContact CB-CD2 4.26Å; V52-F188 HydrophobicContact CB-CE1 3.87Å; V52-F188 HydrophobicContact CB-CG 3.78Å; V52-F188 HydrophobicContact CB-CZ 4.34Å; V52-F188 HydrophobicContact CG1-CD1 4.13Å; V52-F188 HydrophobicContact CG2-CB 4.01Å; V52-F188 HydrophobicContact CG2-CD1 4.23Å; V52-F188 HydrophobicContact CG2-CD2 4.21Å; V52-F188 HydrophobicContact CG2-CG 3.89Å; F156-F188 AromaticContact CD2-CD1 3.85Å; F156-F188 HydrophobicContact CD2-CD1 3.85Å; F156-F188 HydrophobicContact CD2-CE1 4.2Å; F156-F188 HydrophobicContact CE2-CD1 4.18Å; L184-F188 VanDerWaalsContact O-CB 3.31Å; L184-F188 WeakPolarHBondContact O-CB 3.03Å; L184-F188 PolarHBondContact O-N 3.07Å; V186-F188 PolarHBondContact O-N 3.42Å; F188-V190 PolarHBondContact O-N 2.77Å; F188-S191 PolarHBondContact O-N 3.5Å; F188-S191 PolarHBondContact O-OG 3.16Å; F188-L192 HydrophobicContact CD1-CD1 4.05Å; F188-L192 HydrophobicContact CE1-CD1 3.66Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CZ-CD1 4.26Å; F188-L192 HydrophobicContact CZ-CD2 4.32Å; F188-L192 PolarHBondContact O-N 2.91Å
189L86.3Confident87.7Confident2 Ų251.1 Ų51.11%0.0125%0.245CC..Hα-helixtrans-60.2-45.1177.9-179.866.7000112.3I35 F48 F156 L164 A185 V186 S191 L192I35-L189 HydrophobicContact CB-CD2 3.94Å; I35-L189 HydrophobicContact CD1-CD2 3.42Å; I35-L189 VanDerWaalsContact CD1-CD2 3.42Å; I35-L189 HydrophobicContact CG1-CD2 3.4Å; I35-L189 VanDerWaalsContact CG1-CD2 3.4Å; I35-L189 HydrophobicContact CG2-CD2 3.77Å; F48-L189 HydrophobicContact CE2-CD1 3.63Å; F48-L189 HydrophobicContact CZ-CD1 3.94Å; F156-L189 HydrophobicContact CB-CD1 4.23Å; F156-L189 HydrophobicContact CD1-CD1 3.73Å; F156-L189 HydrophobicContact CD1-CD2 4.46Å; F156-L189 HydrophobicContact CD1-CG 4.47Å; F156-L189 HydrophobicContact CE1-CB 4.36Å; F156-L189 HydrophobicContact CE1-CD1 4.27Å; F156-L189 HydrophobicContact CE1-CD2 4.25Å; F156-L189 HydrophobicContact CG-CD1 4.01Å; F156-L189 HydrophobicContact CZ-CB 4.42Å; L164-L189 HydrophobicContact CD1-CD1 4.33Å; A185-L189 WeakPolarHBondContact O-CB 3.45Å; A185-L189 PolarHBondContact O-N 3.38Å; V186-L189 PolarHBondContact O-N 3.35Å; L189-S191 PolarHBondContact O-N 2.82Å; L189-L192 WeakPolarHBondContact O-CB 3.44Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-L192 VanDerWaalsContact O-N 3.09Å
190V87.4Confident87.5Confident11 Ų1150.8 Ų50.87%0.06724%0.244CC..Hα-helixtrans-60.1-38.5178.9171.60000110.8V186 N187 F188 L192 L193 N196 W197 V200V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 VanDerWaalsContact O-CG2 3.29Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 3.09Å; N187-V190 PolarHBondContact O-N 2.74Å; F188-V190 PolarHBondContact O-N 2.77Å; V190-L192 PolarHBondContact O-N 3.03Å; V190-L193 PolarHBondContact O-N 2.82Å; V190-L193 VanDerWaalsContact O-N 3.11Å; V190-N196 HydrophobicContact CG1-CB 3.7Å; V190-N196 PolarHBondContact O-OD1 2.82Å; V190-W197 HydrophobicContact CG1-CD2 4.48Å; V190-W197 HydrophobicContact CG1-CG 4.23Å; V190-W197 HydrophobicContact CG2-CD2 4.14Å; V190-W197 HydrophobicContact CG2-CE3 4.48Å; V190-W197 HydrophobicContact CG2-CH2 4.18Å; V190-W197 HydrophobicContact CG2-CZ2 3.89Å; V190-V200 HydrophobicContact CG2-CG2 4.25Å
191S88.8Confident87.5Confident78 Ų7853.5 Ų53.555%0.54525%0.253SS..Hα-helixtrans-64.4-23.9177.378.70000114.1N187 F188 L189 L193N187-S191 PolarHBondContact O-N 2.85Å; N187-S191 VanDerWaalsContact O-N 3.07Å; F188-S191 PolarHBondContact O-N 3.5Å; F188-S191 PolarHBondContact O-OG 3.16Å; L189-S191 PolarHBondContact O-N 2.82Å; S191-L193 VanDerWaalsContact C-N 3.34Å
192L85.9Confident87.5Confident51 Ų5153.6 Ų53.627%0.26725%0.254SS..Hα-helixtrans-80.6-15.4176.7-61.1173.3000112.8F48 F156 F188 L189 V190F48-L192 HydrophobicContact CB-CB 4.38Å; F48-L192 HydrophobicContact CD2-CB 3.84Å; F48-L192 HydrophobicContact CD2-CD1 3.8Å; F48-L192 HydrophobicContact CD2-CG 4.44Å; F48-L192 HydrophobicContact CE2-CB 4.34Å; F48-L192 HydrophobicContact CE2-CD1 4.23Å; F48-L192 HydrophobicContact CG-CB 4.15Å; F156-L192 HydrophobicContact CB-CD1 4.36Å; F188-L192 HydrophobicContact CD1-CD1 4.05Å; F188-L192 HydrophobicContact CE1-CD1 3.66Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CZ-CD1 4.26Å; F188-L192 HydrophobicContact CZ-CD2 4.32Å; F188-L192 PolarHBondContact O-N 2.91Å; L189-L192 WeakPolarHBondContact O-CB 3.44Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-L192 VanDerWaalsContact O-N 3.09Å; V190-L192 PolarHBondContact O-N 3.03Å
193L84.1Confident87.6Confident3 Ų353.7 Ų53.72%0.01625%0.254CS..SBendtrans-90.5127.6-176.6-62.5173.1000110.7L37 F48 V190 S191 K195 N196 N199 V200L37-L193 HydrophobicContact CD1-CD2 4.3Å; L37-L193 HydrophobicContact CD2-CD1 3.75Å; L37-L193 HydrophobicContact CD2-CD2 3.95Å; F48-L193 HydrophobicContact CD1-CD2 4.2Å; F48-L193 HydrophobicContact CE1-CD2 3.45Å; F48-L193 VanDerWaalsContact CE1-CD2 3.45Å; F48-L193 HydrophobicContact CZ-CD2 3.78Å; V190-L193 PolarHBondContact O-N 2.82Å; V190-L193 VanDerWaalsContact O-N 3.11Å; S191-L193 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.49Å; L193-N196 PolarHBondContact O-N 3.21Å; L193-N196 PolarHBondContact O-OD1 3.11Å; L193-N199 HydrophobicContact CB-CB 4.36Å; L193-N199 HydrophobicContact CD1-CB 4.05Å; L193-V200 HydrophobicContact CD1-CG2 3.76Å
194K82.3Confident87.7Confident191 Ų19153.7 Ų53.783%0.8325%0.252SS*.THydrogen-bonded Turntrans-53.7-32.6-179.5-171.5175.3180-179.80114.5
195K86.7Confident87.9Confident118 Ų11851.5 Ų51.551%0.51324%0.24SC..THydrogen-bonded Turntrans-111.819.4177.5-54.5-1761771790113.2L193 W197 Q198L193-K195 PolarHBondContact O-N 3.49Å; K195-W197 PolarHBondContact O-N 3.27Å; K195-Q198 HydrophobicContact CB-CB 4.07Å; K195-Q198 WeakPolarHBondContact O-CB 3.38Å; K195-Q198 PolarHBondContact O-N 2.68Å
196N87.3Confident87.9Confident86 Ų8654 Ų5446%0.4625%0.251SS..G310 helixtrans48.1-124.5178.9-60.9-33.8000111.8V190 L193 Q198 N199V190-N196 HydrophobicContact CG1-CB 3.7Å; V190-N196 PolarHBondContact O-OD1 2.82Å; L193-N196 PolarHBondContact O-N 3.21Å; L193-N196 PolarHBondContact O-OD1 3.11Å; N196-Q198 VanDerWaalsContact C-N 3.27Å; N196-Q198 PolarHBondContact O-N 3.24Å; N196-N199 PolarHBondContact O-N 3.05Å
197W87.3Confident87.8Confident29 Ų2953.8 Ų53.811%0.1125%0.25CC..G310 helixtrans-62.4-22.6-178.8-75.9101.9000115.3K3 V4 V186 V190 K195 N199 V200 L203 Y216K3-W197 HydrophobicContact CB-CD2 3.9Å; K3-W197 HydrophobicContact CB-CE3 4Å; K3-W197 HydrophobicContact CB-CH2 4.31Å; K3-W197 HydrophobicContact CB-CZ2 4.16Å; K3-W197 HydrophobicContact CB-CZ3 4.2Å; K3-W197 HydrophobicContact CD-CB 4.14Å; K3-W197 HydrophobicContact CD-CD2 4.12Å; K3-W197 HydrophobicContact CD-CE3 4.34Å; K3-W197 HydrophobicContact CD-CG 4.01Å; K3-W197 HydrophobicContact CG-CD2 3.99Å; K3-W197 HydrophobicContact CG-CE3 4.44Å; K3-W197 HydrophobicContact CG-CG 4.07Å; V4-W197 HydrophobicContact CG2-CH2 3.5Å; V4-W197 VanDerWaalsContact CG2-CH2 3.5Å; V4-W197 HydrophobicContact CG2-CZ2 4.34Å; V4-W197 HydrophobicContact CG2-CZ3 4.13Å; V186-W197 HydrophobicContact CG1-CH2 3.56Å; V186-W197 HydrophobicContact CG1-CZ2 3.99Å; V190-W197 HydrophobicContact CG1-CD2 4.48Å; V190-W197 HydrophobicContact CG1-CG 4.23Å; V190-W197 HydrophobicContact CG2-CD2 4.14Å; V190-W197 HydrophobicContact CG2-CE3 4.48Å; V190-W197 HydrophobicContact CG2-CH2 4.18Å; V190-W197 HydrophobicContact CG2-CZ2 3.89Å; K195-W197 PolarHBondContact O-N 3.27Å; W197-N199 PolarHBondContact O-N 2.92Å; W197-V200 HydrophobicContact CE3-CB 4.29Å; W197-V200 HydrophobicContact CE3-CG2 4.42Å; W197-V200 HydrophobicContact CZ3-CG1 4.44Å; W197-V200 PolarHBondContact O-N 2.96Å; W197-V200 VanDerWaalsContact O-N 3.15Å; W197-L203 HydrophobicContact CH2-CD1 3.99Å; W197-L203 HydrophobicContact CZ3-CD1 3.88Å; W197-Y216 HydrophobicContact CE3-CD1 4.4Å; W197-Y216 HydrophobicContact CE3-CE1 4.12Å; W197-Y216 HydrophobicContact CZ3-CD1 4.21Å; W197-Y216 HydrophobicContact CZ3-CE1 4.39Å; W197-Y216 HydrophobicContact CZ3-CG 4.29Å
198Q85.8Confident87.6Confident133 Ų13353.5 Ų53.562%0.62125%0.25SS*.G310 helixtrans-68.5-24178.7-65.5-176-8.500112.2K38 K195 N196K38-Q198 WeakPolarHBondContact CE-O 3.24Å; K195-Q198 HydrophobicContact CB-CB 4.07Å; K195-Q198 WeakPolarHBondContact O-CB 3.38Å; K195-Q198 PolarHBondContact O-N 2.68Å; N196-Q198 VanDerWaalsContact C-N 3.27Å; N196-Q198 PolarHBondContact O-N 3.24Å
199N86.3Confident87.4Confident5 Ų556.7 Ų56.73%0.02727%0.267CS..G310 helixtrans-86.3-8.3175.8-75.1-1000112.7L37 K38 L193 N196 W197L37-N199 CarbonylContact C-O 3.51Å; L37-N199 VanDerWaalsContact CA-O 3.23Å; L37-N199 WeakPolarHBondContact CA-O 3.23Å; K38-N199 PolarHBondContact N-O 3.24Å; L193-N199 HydrophobicContact CB-CB 4.36Å; L193-N199 HydrophobicContact CD1-CB 4.05Å; N196-N199 PolarHBondContact O-N 3.05Å; W197-N199 PolarHBondContact O-N 2.92Å
200V87.3Confident87.2Confident1 Ų157.8 Ų57.81%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-90.4120.7176.6-175.10000108.6I35 K38 V190 L193 W197 L203 Y216I35-V200 HydrophobicContact CG2-CG1 4.5Å; K38-V200 WeakPolarHBondContact CE-O 3.3Å; V190-V200 HydrophobicContact CG2-CG2 4.25Å; L193-V200 HydrophobicContact CD1-CG2 3.76Å; W197-V200 HydrophobicContact CE3-CB 4.29Å; W197-V200 HydrophobicContact CE3-CG2 4.42Å; W197-V200 HydrophobicContact CZ3-CG1 4.44Å; W197-V200 PolarHBondContact O-N 2.96Å; W197-V200 VanDerWaalsContact O-N 3.15Å; V200-L203 HydrophobicContact CG1-CD1 4.39Å; V200-L203 HydrophobicContact CG1-CD2 3.97Å; V200-L203 HydrophobicContact CG1-CG 3.85Å; V200-Y216 HydrophobicContact CB-CE1 4.42Å; V200-Y216 HydrophobicContact CG1-CD1 3.98Å; V200-Y216 HydrophobicContact CG1-CE1 4.25Å
201R88.5Confident87.1Confident175 Ų17565.5 Ų65.566%0.6631%0.312SS*.EExtended strand (participates in β ladder)trans-84.6-56.7175.1-175.7179.3177.8175-0.6110.8S36 K38S36-R201 WeakPolarHBondContact O-CB 3.26Å; S36-R201 PolarHBondContact O-N 3.27Å; K38-R201 HydrophobicContact CB-CB 3.93Å; K38-R201 HydrophobicContact CD-CB 4.08Å; K38-R201 HydrophobicContact CD-CG 4.41Å; K38-R201 HydrophobicContact CG-CB 4.04Å
202A89.2Confident87.1Confident3 Ų365.6 Ų65.63%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-153.6149.5-178.800000110.9S36 Y204 Y216S36-A202 PolarHBondContact N-O 2.95Å; S36-A202 WeakPolarHBondContact OG-CA 3.31Å; S36-A202 WeakPolarHBondContact OG-CB 2.89Å; S36-A202 PolarHBondContact OG-N 2.77Å; S36-A202 PolarHBondContact OG-O 2.89Å; A202-Y204 HydrophobicContact CB-CD2 4.43Å; A202-Y204 HydrophobicContact CB-CE2 3.6Å; A202-Y216 CarbonylContact C-O 3.56Å; A202-Y216 WeakPolarHBondContact CA-O 3.28Å; A202-Y216 WeakPolarHBondContact CB-O 3.38Å
203L91.5Very high87.2Confident2 Ų265.4 Ų65.41%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-117.9132.7175.4-65.9172.4000108.6V4 I35 V186 W197 V200 L215 Y216V4-L203 HydrophobicContact CG2-CD1 4.04Å; I35-L203 HydrophobicContact CB-CD2 3.95Å; I35-L203 HydrophobicContact CG1-CD2 3.41Å; I35-L203 VanDerWaalsContact CG1-CD2 3.41Å; I35-L203 HydrophobicContact CG2-CD2 3.71Å; V186-L203 HydrophobicContact CG1-CD1 3.86Å; V186-L203 HydrophobicContact CG2-CD1 4.13Å; W197-L203 HydrophobicContact CH2-CD1 3.99Å; W197-L203 HydrophobicContact CZ3-CD1 3.88Å; V200-L203 HydrophobicContact CG1-CD1 4.39Å; V200-L203 HydrophobicContact CG1-CD2 3.97Å; V200-L203 HydrophobicContact CG1-CG 3.85Å; L203-L215 HydrophobicContact CB-CB 3.98Å; L203-L215 HydrophobicContact CB-CD1 4.35Å; L203-L215 PolarHBondContact O-N 2.86Å; L203-Y216 PolarHBondContact N-O 2.92Å; L203-Y216 PolarHBondContact O-N 3.24Å
204Y91.7Very high87.4Confident76 Ų7672.7 Ų72.730%0.29834%0.336SS..EExtended strand (participates in β ladder)trans-126.4138.4176.8-58.2-89.2000110.1Q34 A202 Q213 R214Q34-Y204 PolarHBondContact N-O 2.92Å; Q34-Y204 PolarHBondContact O-N 2.95Å; A202-Y204 HydrophobicContact CB-CD2 4.43Å; A202-Y204 HydrophobicContact CB-CE2 3.6Å; Y204-Q213 CarbonylContact C-O 3.42Å; Y204-Q213 VanDerWaalsContact CA-O 3.23Å; Y204-Q213 WeakPolarHBondContact CA-O 3.45Å; Y204-R214 HydrophobicContact CD1-CB 3.83Å; Y204-R214 HydrophobicContact CD1-CG 4.08Å; Y204-R214 HydrophobicContact CE1-CB 3.74Å; Y204-R214 HydrophobicContact CE1-CG 3.72Å
205I91.8Very high87.6Confident1 Ų164.5 Ų64.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-104.7137.5164.3-58.8163.6000107.5L9 A12 V13 V16 V31 E32 L33 I182 Q213 L215L9-I205 HydrophobicContact CD2-CD1 4.39Å; A12-I205 HydrophobicContact CB-CD1 4.28Å; V13-I205 HydrophobicContact CG2-CD1 4.31Å; V16-I205 HydrophobicContact CG2-CG2 4.1Å; V31-I205 HydrophobicContact CG1-CG2 3.54Å; E32-I205 WeakPolarHBondContact O-CA 3.33Å; L33-I205 HydrophobicContact CD1-CG1 4.26Å; I182-I205 HydrophobicContact CD1-CD1 3.66Å; I182-I205 HydrophobicContact CD1-CG1 4.32Å; I182-I205 HydrophobicContact CG1-CD1 4.49Å; I182-I205 HydrophobicContact CG2-CD1 4.3Å; I205-Q213 PolarHBondContact N-O 3.04Å; I205-Q213 PolarHBondContact O-N 3.24Å; I205-L215 HydrophobicContact CD1-CD1 3.54Å; I205-L215 HydrophobicContact CD1-CD2 3.65Å; I205-L215 HydrophobicContact CD1-CG 3.71Å; I205-L215 HydrophobicContact CG1-CD1 3.54Å; I205-L215 HydrophobicContact CG1-CD2 4.37Å; I205-L215 HydrophobicContact CG1-CG 3.87Å
206K90.1Very high87.3Confident51 Ų5162.2 Ų62.222%0.22229%0.29CS..EExtended strand (participates in β ladder)trans-143.3154.9168.467170.9-145.2162.50110.9E32 P212E32-K206 HydrophobicContact CB-CG 4.3Å; E32-K206 PolarHBondContact N-O 2.84Å; E32-K206 PolarHBondContact O-N 3.01Å; E32-K206 VanDerWaalsContact OE2-CE 3.27Å; E32-K206 WeakPolarHBondContact OE2-CE 3.49Å; K206-P212 HydrophobicContact CB-CB 4.21Å
207S87.5Confident87.3Confident1 Ų161 Ų611%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-82.4171.4159.277.50000110.2E29 S30 M209 G210E29-S207 WeakPolarHBondContact OE2-CB 3.38Å; E29-S207 PolarHBondContact OE2-OG 2.96Å; S30-S207 CarbonylContact O-C 3.59Å; S30-S207 WeakPolarHBondContact O-CA 3.39Å; S207-M209 PolarHBondContact O-N 3.33Å; S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 WeakPolarHBondContact OG-CA 3.47Å; S207-G210 PolarHBondContact OG-N 3.15Å
208T85.9Confident87.3Confident51 Ų5162.7 Ų62.731%0.31329%0.29SS..SBendtrans-54.5-40-176.8-52.70000112.5F27 S30F27-T208 HydrophobicContact CE2-CG2 4.42Å; F27-T208 HydrophobicContact CZ-CG2 4.5Å; S30-T208 PolarHBondContact N-OG1 3.5Å; S30-T208 VanDerWaalsContact N-OG1 3.11Å; S30-T208 PolarHBondContact O-N 2.83Å; S30-T208 PolarHBondContact O-OG1 3.48Å; S30-T208 VanDerWaalsContact O-OG1 3.11Å
209M84.1Confident87.4Confident122 Ų12258.8 Ų58.860%0.60127%0.272SS*.SBendtrans-123.78.2-178.3-62.7-69.7-80.900112.9F27 E29 S207F27-M209 HydrophobicContact CZ-CG 4.28Å; E29-M209 PolarHBondContact OE2-N 2.84Å; S207-M209 PolarHBondContact O-N 3.33Å
210G82.2Confident87.4Confident26 Ų2661.9 Ų61.927%0.26829%0.286SS..SBendtrans-88.3168.1-179.100000113S207S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 WeakPolarHBondContact OG-CA 3.47Å; S207-G210 PolarHBondContact OG-N 3.15Å
211K85.8Confident87.4Confident173 Ų17365.8 Ų65.875%0.75230%0.304SS*.PPolyproline II helixtrans-68.8140.9173.6-66.7-178.2179.8179.60109.7
212P87.9Confident87.4Confident79 Ų7958.5 Ų58.551%0.51328%0.28SS..PPolyproline II helixtrans-73.8131174.530.1-32.5000110.6K206K206-P212 HydrophobicContact CB-CB 4.21Å
213Q88.6Confident87.2Confident48 Ų4862.4 Ų62.422%0.22430%0.298CS..EExtended strand (participates in β ladder)trans-104.3131.4173.3-60.2-59.5-1.900110A12 E15 V16 Y204 I205A12-Q213 HydrophobicContact CB-CB 4.19Å; E15-Q213 HydrophobicContact CB-CG 4.35Å; E15-Q213 PolarHBondContact OE2-NE2 3.24Å; E15-Q213 PolarHBondContact OE2-OE1 3.11Å; V16-Q213 HydrophobicContact CG2-CB 4.31Å; V16-Q213 HydrophobicContact CG2-CG 3.72Å; Y204-Q213 CarbonylContact C-O 3.42Å; Y204-Q213 VanDerWaalsContact CA-O 3.23Å; Y204-Q213 WeakPolarHBondContact CA-O 3.45Å; I205-Q213 PolarHBondContact N-O 3.04Å; I205-Q213 PolarHBondContact O-N 3.24Å
214R88.8Confident86.9Confident155 Ų15567.1 Ų67.159%0.58532%0.32SS*.EExtended strand (participates in β ladder)trans-90.4127.4-177.9-173.1175.2174.4-164.7-10110.2Y204 Y216Y204-R214 HydrophobicContact CD1-CB 3.83Å; Y204-R214 HydrophobicContact CD1-CG 4.08Å; Y204-R214 HydrophobicContact CE1-CB 3.74Å; Y204-R214 HydrophobicContact CE1-CG 3.72Å; R214-Y216 WeakPolarHBondContact CG-O 3.48Å; R214-Y216 VanDerWaalsContact NE-C 3.33Å; R214-Y216 PolarHBondContact NE-O 3.15Å; R214-Y216 PolarHBondContact NE-OXT 2.8Å; R214-Y216 PolarHBondContact NH2-OXT 3Å
215L85.1Confident86.5Confident19 Ų1966.3 Ų66.310%0.09932%0.322CS..  trans-96.1-33.8176.2-70.4177.8000113.6V4 L9 A12 L33 I182 L203 I205V4-L215 HydrophobicContact CG1-CB 4.36Å; L9-L215 HydrophobicContact CD2-CD1 3.78Å; L9-L215 HydrophobicContact CD2-CD2 3.69Å; L9-L215 HydrophobicContact CD2-CG 4.36Å; L9-L215 HydrophobicContact CG-CD2 4.24Å; A12-L215 HydrophobicContact CB-CD2 3.67Å; L33-L215 HydrophobicContact CD1-CD1 4.26Å; I182-L215 HydrophobicContact CG2-CD1 4.19Å; L203-L215 HydrophobicContact CB-CB 3.98Å; L203-L215 HydrophobicContact CB-CD1 4.35Å; L203-L215 PolarHBondContact O-N 2.86Å; I205-L215 HydrophobicContact CD1-CD1 3.54Å; I205-L215 HydrophobicContact CD1-CD2 3.65Å; I205-L215 HydrophobicContact CD1-CG 3.71Å; I205-L215 HydrophobicContact CG1-CD1 3.54Å; I205-L215 HydrophobicContact CG1-CD2 4.37Å; I205-L215 HydrophobicContact CG1-CG 3.87Å
216Y80.6Confident86Confident70 Ų7072.3 Ų72.328%0.27535%0.351SS..  trans-151.30-175.6-175.5-105.8000109.2K3 W197 V200 A202 L203 R214K3-Y216 HydrophobicContact CB-CE2 4.26Å; K3-Y216 HydrophobicContact CD-CE2 4.13Å; W197-Y216 HydrophobicContact CE3-CD1 4.4Å; W197-Y216 HydrophobicContact CE3-CE1 4.12Å; W197-Y216 HydrophobicContact CZ3-CD1 4.21Å; W197-Y216 HydrophobicContact CZ3-CE1 4.39Å; W197-Y216 HydrophobicContact CZ3-CG 4.29Å; V200-Y216 HydrophobicContact CB-CE1 4.42Å; V200-Y216 HydrophobicContact CG1-CD1 3.98Å; V200-Y216 HydrophobicContact CG1-CE1 4.25Å; A202-Y216 CarbonylContact C-O 3.56Å; A202-Y216 WeakPolarHBondContact CA-O 3.28Å; A202-Y216 WeakPolarHBondContact CB-O 3.38Å; L203-Y216 PolarHBondContact N-O 2.92Å; L203-Y216 PolarHBondContact O-N 3.24Å; R214-Y216 WeakPolarHBondContact CG-O 3.48Å; R214-Y216 VanDerWaalsContact NE-C 3.33Å; R214-Y216 PolarHBondContact NE-O 3.15Å; R214-Y216 PolarHBondContact NE-OXT 2.8Å; R214-Y216 PolarHBondContact NH2-OXT 3Å

Retrieved 216 of 216 residues in 366.2 ms (Link to these results)

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