A0A087XH87_POEFO Loading...

Growth factor receptor-bound protein 2b

AlphaFold DB (A0A147A3K0), UniProt , Accession A0A087XH87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 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
1M68.6Low86.6Confident54 Ų5463.7 Ų63.727%0.26630%0.302SS..  0162.20-83179.1-98.700108.7K26 V27 E30 M55 F61M1-K26 CarbonylContact O-C 3.56Å; M1-V27 HydrophobicContact CB-CB 4.47Å; M1-V27 PolarHBondContact N-O 3.32Å; M1-V27 WeakPolarHBondContact O-CA 3.44Å; M1-V27 PolarHBondContact O-N 2.75Å; M1-E30 HydrophobicContact CE-CG 4.37Å; M1-E30 WeakPolarHBondContact CE-OE1 3.24Å; M1-M55 HydrophobicContact CB-CE 3.51Å; M1-M55 HydrophobicContact CE-CE 4.25Å; M1-M55 HydrophobicContact CG-CE 4.12Å; M1-M55 HydrophobicContact SD-CE 3.49Å; M1-M55 WeakPolarHBondContact SD-CE 3.29Å; M1-F61 HydrophobicContact CE-CE1 3.62Å; M1-F61 HydrophobicContact CE-CZ 3.99Å; M1-F61 HydrophobicContact CG-CD1 4.22Å; M1-F61 HydrophobicContact CG-CE1 3.95Å; M1-F61 HydrophobicContact CG-CZ 4.27Å; M1-F61 HydrophobicContact SD-CD1 3.77Å; M1-F61 HydrophobicContact SD-CE1 3.37Å; M1-F61 WeakPolarHBondContact SD-CE1 3.08Å; M1-F61 HydrophobicContact SD-CZ 4.13Å
2E79.9Confident86.7Confident31 Ų3168.7 Ų68.715%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-106.3143.4173.6-72.1-179.9-178.700110V24 L25 K56 S127 N129E2-V24 HydrophobicContact CB-CG1 3.94Å; E2-V24 HydrophobicContact CG-CG1 4.04Å; E2-L25 CarbonylContact C-O 3.55Å; E2-L25 WeakPolarHBondContact CA-O 3.47Å; E2-K56 PolarHBondContact O-N 2.8Å; E2-S127 WeakPolarHBondContact OE1-CB 3.42Å; E2-S127 PolarHBondContact OE1-OG 3.27Å; E2-N129 VanDerWaalsContact OE2-CG 3.3Å; E2-N129 PolarHBondContact OE2-ND2 2.72Å
3A82.3Confident86.9Confident0 Ų066.4 Ų66.40%034%0.338CS..EExtended strand (participates in β ladder)trans-128.5147.5173.200000109.7V24 L25 V27 I53 E54 M55A3-V24 CarbonylContact O-C 3.6Å; A3-V24 WeakPolarHBondContact O-CA 3.5Å; A3-L25 PolarHBondContact N-O 3.44Å; A3-L25 PolarHBondContact O-N 2.8Å; A3-V27 HydrophobicContact CB-CG2 3.8Å; A3-I53 HydrophobicContact CB-CB 3.98Å; A3-I53 HydrophobicContact CB-CD1 3.57Å; A3-I53 HydrophobicContact CB-CG1 4.08Å; A3-E54 CarbonylContact C-O 3.54Å; A3-E54 WeakPolarHBondContact CA-O 3.26Å; A3-E54 WeakPolarHBondContact CB-O 3.24Å; A3-M55 HydrophobicContact CB-SD 3.88Å
4I84.3Confident87Confident53 Ų5374.6 Ų74.627%0.27238%0.384SS..EExtended strand (participates in β ladder)trans-99.7130.8172.2-176.2157000109.7K6 E23 I53 E54 K56I4-K6 PolarHBondContact O-N 3.48Å; I4-E23 WeakPolarHBondContact CA-O 3.19Å; I4-I53 CarbonylContact O-C 3.59Å; I4-I53 VanDerWaalsContact O-CA 3.32Å; I4-I53 WeakPolarHBondContact O-CA 3.41Å; I4-E54 HydrophobicContact CG2-CB 3.65Å; I4-E54 PolarHBondContact N-O 3.25Å; I4-E54 PolarHBondContact O-N 3.08Å; I4-K56 HydrophobicContact CG2-CG 4.32Å
5A89.5Confident87Confident3 Ų375.9 Ų75.93%0.02539%0.391CS..EExtended strand (participates in β ladder)trans-65.4120.3174.600000110.8F19 K20 G22 E23 L25A5-F19 HydrophobicContact CB-CD2 3.41Å; A5-F19 VanDerWaalsContact CB-CD2 3.41Å; A5-F19 HydrophobicContact CB-CE2 3.71Å; A5-F19 HydrophobicContact CB-CG 4.46Å; A5-K20 WeakPolarHBondContact CB-O 3.45Å; A5-G22 PolarHBondContact O-N 2.74Å; A5-E23 PolarHBondContact N-O 2.78Å; A5-L25 HydrophobicContact CB-CD1 4.31Å
6K88.6Confident87.3Confident82 Ų8273.1 Ų73.136%0.35738%0.376SS..SBendtrans-77.6-31.5173.8-67.7-168.8175.6-161.70112.1I4 R21 Y52 E54I4-K6 PolarHBondContact O-N 3.48Å; K6-R21 VanDerWaalsContact O-CD 3.29Å; K6-R21 WeakPolarHBondContact O-CD 3.48Å; K6-R21 WeakPolarHBondContact O-CG 3.4Å; K6-Y52 PolarHBondContact N-O 3.23Å; K6-E54 HydrophobicContact CD-CB 4.41Å; K6-E54 VanDerWaalsContact CE-CG 3.46Å; K6-E54 WeakPolarHBondContact CE-OE2 3.3Å; K6-E54 HydrophobicContact CG-CB 4.25Å; K6-E54 IonicContact NZ-OE2 3.15Å; K6-E54 PolarHBondContact NZ-OE2 2.77Å; K6-E54 VanDerWaalsContact NZ-OE2 3.12Å
7Y88.4Confident87.5Confident135 Ų13569.5 Ų69.553%0.52936%0.358SS..SBendtrans-137162.8-177-48.8-69.2000110.4F19 Y52Y7-F19 WeakPolarHBondContact O-CE2 3.3Å; Y7-Y52 HydrophobicContact CD2-CD1 4.19Å; Y7-Y52 HydrophobicContact CD2-CG 4.31Å; Y7-Y52 HydrophobicContact CG-CD1 4.46Å
8D92.1Very high87.9Confident107 Ų10768.9 Ų68.957%0.57236%0.36SS*.  trans-71139.5168.8-66.35.9000109.1R21D8-R21 WeakPolarHBondContact OD1-CB 3.39Å; D8-R21 PolarHBondContact OD1-N 3.38Å
9F93.9Very high88.2Confident27 Ų2765.6 Ų65.612%0.11834%0.343CS..BIsolated β-bridgetrans-134.3126.7175.8-179.8-106.7000110E16 L17 S18 F19 W36 P49 Y52F9-E16 HydrophobicContact CE1-CB 4.2Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.42Å; F9-L17 VanDerWaalsContact CD1-O 3.3Å; F9-L17 WeakPolarHBondContact CD1-O 3.43Å; F9-S18 WeakPolarHBondContact O-CA 3.2Å; F9-F19 HydrophobicContact CB-CD1 4.09Å; F9-F19 HydrophobicContact CB-CD2 4Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.27Å; F9-F19 HydrophobicContact CB-CZ 3.32Å; F9-F19 HydrophobicContact CD1-CD1 4.07Å; F9-F19 AromaticContact CD1-CE1 3.52Å; F9-F19 HydrophobicContact CD1-CE1 3.52Å; F9-F19 HydrophobicContact CD1-CZ 4.04Å; F9-F19 AromaticContact CG-CE1 3.85Å; F9-F19 HydrophobicContact CG-CE1 3.85Å; F9-F19 AromaticContact CG-CZ 3.88Å; F9-F19 HydrophobicContact CG-CZ 3.88Å; F9-F19 PolarHBondContact N-O 2.77Å; F9-F19 PolarHBondContact O-N 2.9Å; F9-W36 HydrophobicContact CE1-CZ3 4.29Å; F9-W36 HydrophobicContact CE2-CH2 4.34Å; F9-W36 AromaticContact CZ-CH2 3.77Å; F9-W36 HydrophobicContact CZ-CH2 3.77Å; F9-W36 AromaticContact CZ-CZ3 3.89Å; F9-W36 HydrophobicContact CZ-CZ3 3.89Å; F9-P49 HydrophobicContact CD1-CG 4.46Å; F9-P49 HydrophobicContact CD2-CG 3.76Å; F9-P49 HydrophobicContact CE1-CG 4.42Å; F9-P49 HydrophobicContact CE2-CG 3.73Å; F9-P49 HydrophobicContact CG-CG 4.15Å; F9-P49 HydrophobicContact CZ-CG 4.08Å; F9-Y52 HydrophobicContact CB-CD1 4.05Å; F9-Y52 HydrophobicContact CD2-CD1 4.23Å; F9-Y52 HydrophobicContact CD2-CE1 4.24Å
10K94.1Very high88.4Confident176 Ų17669.4 Ų69.477%0.76536%0.356SS*.  trans-109.6122.3175.4-172.3178.9-179.9-176.10108T12K10-T12 PolarHBondContact O-N 2.8Å
11A91Very high88.5Confident33 Ų3375 Ų7527%0.27337%0.373SS..  trans-54.4130.6177.400000110.4E16 S18A11-E16 HydrophobicContact CB-CB 3.73Å; A11-E16 WeakPolarHBondContact CB-O 3.23Å; A11-S18 VanDerWaalsContact CB-OG 3.22Å; A11-S18 WeakPolarHBondContact CB-OG 3.35Å; A11-S18 PolarHBondContact N-OG 3.5Å
12T88.1Confident89.1Confident123 Ų12374.5 Ų74.576%0.75538%0.382SS*.SBendtrans-105-19.1176.360.60000112.2K10 E16K10-T12 PolarHBondContact O-N 2.8Å; T12-E16 WeakPolarHBondContact CA-OE2 3.19Å; T12-E16 PolarHBondContact N-OE2 2.9Å; T12-E16 PolarHBondContact OG1-OE1 2.92Å; T12-E16 PolarHBondContact OG1-OE2 3.31Å
13A88.8Confident89.5Confident39 Ų3976 Ų7632%0.32239%0.389SS..SBendtrans-125.7160.617300000111.6D15 E16A13-D15 VanDerWaalsContact CB-OD1 3.23Å; A13-D15 WeakPolarHBondContact CB-OD1 3.29Å; A13-D15 PolarHBondContact O-N 3.07Å; A13-E16 HydrophobicContact CB-CG 4.1Å; A13-E16 PolarHBondContact N-OE2 3.06Å; A13-E16 PolarHBondContact O-N 2.97Å
14D87.8Confident89.6Confident182 Ų18278.9 Ų78.997%0.97341%0.406SS*.THydrogen-bonded Turntrans-70.3-18.6-174.5-66.7-33.4000113.6
15D87.5Confident89.7Confident93 Ų9376.3 Ų76.350%0.49739%0.393SS..THydrogen-bonded Turntrans-93.9-0.2177.363.6-30.2000113.2A13 G46 F47A13-D15 VanDerWaalsContact CB-OD1 3.23Å; A13-D15 WeakPolarHBondContact CB-OD1 3.29Å; A13-D15 PolarHBondContact O-N 3.07Å; D15-G46 CarbonylContact O-C 3.44Å; D15-G46 WeakPolarHBondContact O-CA 3.44Å; D15-F47 HydrophobicContact CB-CD2 4.07Å; D15-F47 HydrophobicContact CB-CE2 4.4Å; D15-F47 WeakPolarHBondContact O-CD2 3.21Å; D15-F47 PolarHBondContact O-N 3.12Å
16E91.7Very high89.4Confident32 Ų3277.4 Ų77.415%0.1540%0.397CS..BIsolated β-bridgetrans-93.3146.7179.2-68.8175.7174.600112.7F9 A11 T12 A13 W36 F47F9-E16 HydrophobicContact CE1-CB 4.2Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.42Å; A11-E16 HydrophobicContact CB-CB 3.73Å; A11-E16 WeakPolarHBondContact CB-O 3.23Å; T12-E16 WeakPolarHBondContact CA-OE2 3.19Å; T12-E16 PolarHBondContact N-OE2 2.9Å; T12-E16 PolarHBondContact OG1-OE1 2.92Å; T12-E16 PolarHBondContact OG1-OE2 3.31Å; A13-E16 HydrophobicContact CB-CG 4.1Å; A13-E16 PolarHBondContact N-OE2 3.06Å; A13-E16 PolarHBondContact O-N 2.97Å; E16-W36 HydrophobicContact CG-CH2 4.06Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.21Å; E16-F47 WeakPolarHBondContact CA-O 3.19Å
17L91.5Very high89.1Confident12 Ų1273.7 Ų73.76%0.06338%0.382CS..PPolyproline II helixtrans-102118.9179.3-177.465.2000110.4F9 F19 L25 A39 L41 K44 F47 I48F9-L17 VanDerWaalsContact CD1-O 3.3Å; F9-L17 WeakPolarHBondContact CD1-O 3.43Å; L17-F19 WeakPolarHBondContact O-CD1 3.37Å; L17-L25 HydrophobicContact CD2-CD2 4.35Å; L17-A39 HydrophobicContact CD2-CB 4.36Å; L17-L41 HydrophobicContact CD1-CB 4.27Å; L17-L41 HydrophobicContact CD2-CB 3.66Å; L17-L41 HydrophobicContact CG-CB 4.26Å; L17-K44 HydrophobicContact CD1-CB 4.05Å; L17-F47 PolarHBondContact N-O 3.11Å; L17-I48 HydrophobicContact CB-CG2 3.77Å; L17-I48 HydrophobicContact CD2-CG2 4.14Å; L17-I48 HydrophobicContact CG-CG2 4.34Å
18S93.7Very high88.4Confident58 Ų5869.7 Ų69.741%0.40637%0.369SS..PPolyproline II helixtrans-76.2140.6173.6-60.40000111.7F9 A11F9-S18 WeakPolarHBondContact O-CA 3.2Å; A11-S18 VanDerWaalsContact CB-OG 3.22Å; A11-S18 WeakPolarHBondContact CB-OG 3.35Å; A11-S18 PolarHBondContact N-OG 3.5Å
19F94.2Very high87.4Confident7 Ų767.9 Ų67.93%0.03136%0.359CS..BIsolated β-bridgetrans-153.5161.6178.155.9-96.3000111.9A5 Y7 F9 L17 E23 L25 L41 I48 I53A5-F19 HydrophobicContact CB-CD2 3.41Å; A5-F19 VanDerWaalsContact CB-CD2 3.41Å; A5-F19 HydrophobicContact CB-CE2 3.71Å; A5-F19 HydrophobicContact CB-CG 4.46Å; Y7-F19 WeakPolarHBondContact O-CE2 3.3Å; F9-F19 HydrophobicContact CB-CD1 4.09Å; F9-F19 HydrophobicContact CB-CD2 4Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.27Å; F9-F19 HydrophobicContact CB-CZ 3.32Å; F9-F19 HydrophobicContact CD1-CD1 4.07Å; F9-F19 AromaticContact CD1-CE1 3.52Å; F9-F19 HydrophobicContact CD1-CE1 3.52Å; F9-F19 HydrophobicContact CD1-CZ 4.04Å; F9-F19 AromaticContact CG-CE1 3.85Å; F9-F19 HydrophobicContact CG-CE1 3.85Å; F9-F19 AromaticContact CG-CZ 3.88Å; F9-F19 HydrophobicContact CG-CZ 3.88Å; F9-F19 PolarHBondContact N-O 2.77Å; F9-F19 PolarHBondContact O-N 2.9Å; L17-F19 WeakPolarHBondContact O-CD1 3.37Å; F19-E23 VanDerWaalsContact CA-OE2 3.25Å; F19-E23 WeakPolarHBondContact CA-OE2 3.32Å; F19-E23 WeakPolarHBondContact CB-OE2 3.41Å; F19-L25 HydrophobicContact CB-CD1 4.38Å; F19-L25 HydrophobicContact CB-CD2 3.78Å; F19-L25 HydrophobicContact CD1-CD1 3.89Å; F19-L25 HydrophobicContact CD1-CD2 4.18Å; F19-L25 HydrophobicContact CD2-CD1 4.01Å; F19-L25 HydrophobicContact CE1-CD1 4.14Å; F19-L25 HydrophobicContact CE2-CD1 4.21Å; F19-L25 HydrophobicContact CG-CD1 3.82Å; F19-L25 HydrophobicContact CG-CD2 4.06Å; F19-L25 HydrophobicContact CZ-CD1 4.27Å; F19-L41 HydrophobicContact CB-CD2 3.9Å; F19-I48 HydrophobicContact CD1-CB 4.41Å; F19-I48 HydrophobicContact CD1-CG2 3.73Å; F19-I48 HydrophobicContact CE1-CB 3.63Å; F19-I48 HydrophobicContact CE1-CG2 3.42Å; F19-I48 VanDerWaalsContact CE1-CG2 3.42Å; F19-I48 HydrophobicContact CZ-CB 4.35Å; F19-I53 HydrophobicContact CE2-CG2 4.27Å; F19-I53 HydrophobicContact CZ-CG2 4.06Å
20K92.8Very high85.7Confident140 Ų14070.5 Ų70.561%0.60937%0.372SS*.  trans-106.2152.4175.7-67-174177.3-177.20111.2A5 G22 E23A5-K20 WeakPolarHBondContact CB-O 3.45Å; K20-G22 PolarHBondContact O-N 2.89Å; K20-E23 HydrophobicContact CB-CG 4.15Å; K20-E23 PolarHBondContact N-OE2 3.07Å; K20-E23 VanDerWaalsContact O-CB 3.29Å; K20-E23 WeakPolarHBondContact O-CB 3.44Å; K20-E23 WeakPolarHBondContact O-CG 2.96Å; K20-E23 PolarHBondContact O-N 2.85Å
21R89.4Confident83.9Confident189 Ų18969.1 Ų69.171%0.71337%0.368SS*.THydrogen-bonded Turntrans-50.6132.4171.6176175.9175.8-165.7-1.4110.2K6 D8 E23K6-R21 VanDerWaalsContact O-CD 3.29Å; K6-R21 WeakPolarHBondContact O-CD 3.48Å; K6-R21 WeakPolarHBondContact O-CG 3.4Å; D8-R21 WeakPolarHBondContact OD1-CB 3.39Å; D8-R21 PolarHBondContact OD1-N 3.38Å; R21-E23 VanDerWaalsContact C-N 3.33Å
22G81.6Confident81.8Confident43 Ų4370.6 Ų70.644%0.44338%0.376SS..THydrogen-bonded Turntrans88.1-10.4-17900000114.6A5 K20A5-G22 PolarHBondContact O-N 2.74Å; K20-G22 PolarHBondContact O-N 2.89Å
23E87.9Confident80.4Confident62 Ų6270.1 Ų70.129%0.2937%0.369SS..  trans-68.5145174.4-69.1-172140.300111.5I4 A5 F19 K20 R21 L41I4-E23 WeakPolarHBondContact CA-O 3.19Å; A5-E23 PolarHBondContact N-O 2.78Å; F19-E23 VanDerWaalsContact CA-OE2 3.25Å; F19-E23 WeakPolarHBondContact CA-OE2 3.32Å; F19-E23 WeakPolarHBondContact CB-OE2 3.41Å; K20-E23 HydrophobicContact CB-CG 4.15Å; K20-E23 PolarHBondContact N-OE2 3.07Å; K20-E23 VanDerWaalsContact O-CB 3.29Å; K20-E23 WeakPolarHBondContact O-CB 3.44Å; K20-E23 WeakPolarHBondContact O-CG 2.96Å; K20-E23 PolarHBondContact O-N 2.85Å; R21-E23 VanDerWaalsContact C-N 3.33Å; E23-L41 WeakPolarHBondContact OE2-CD2 3.03Å
24V84.6Confident79.3Confident60 Ų6076.3 Ų76.336%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-96.3117.9176.8-178.40000108.7E2 A3E2-V24 HydrophobicContact CB-CG1 3.94Å; E2-V24 HydrophobicContact CG-CG1 4.04Å; A3-V24 CarbonylContact O-C 3.6Å; A3-V24 WeakPolarHBondContact O-CA 3.5Å
25L87.1Confident79Confident0 Ų072.7 Ų72.70%037%0.371CS..EExtended strand (participates in β ladder)trans-105.1131.4-174.8-60.4164.5000109.3E2 A3 A5 L17 F19 V27 A39 L41 I48 I53E2-L25 CarbonylContact C-O 3.55Å; E2-L25 WeakPolarHBondContact CA-O 3.47Å; A3-L25 PolarHBondContact N-O 3.44Å; A3-L25 PolarHBondContact O-N 2.8Å; A5-L25 HydrophobicContact CB-CD1 4.31Å; L17-L25 HydrophobicContact CD2-CD2 4.35Å; F19-L25 HydrophobicContact CB-CD1 4.38Å; F19-L25 HydrophobicContact CB-CD2 3.78Å; F19-L25 HydrophobicContact CD1-CD1 3.89Å; F19-L25 HydrophobicContact CD1-CD2 4.18Å; F19-L25 HydrophobicContact CD2-CD1 4.01Å; F19-L25 HydrophobicContact CE1-CD1 4.14Å; F19-L25 HydrophobicContact CE2-CD1 4.21Å; F19-L25 HydrophobicContact CG-CD1 3.82Å; F19-L25 HydrophobicContact CG-CD2 4.06Å; F19-L25 HydrophobicContact CZ-CD1 4.27Å; L25-V27 PolarHBondContact O-N 2.81Å; L25-A39 HydrophobicContact CB-CB 4.5Å; L25-L41 HydrophobicContact CD2-CB 3.86Å; L25-L41 HydrophobicContact CD2-CD1 4.16Å; L25-L41 HydrophobicContact CD2-CD2 3.81Å; L25-L41 HydrophobicContact CD2-CG 4.15Å; L25-I48 HydrophobicContact CB-CD1 4.24Å; L25-I48 HydrophobicContact CD1-CD1 3.78Å; L25-I53 HydrophobicContact CD1-CG2 3.66Å
26K82.3Confident78.9Confident25 Ų2571.6 Ų71.611%0.10936%0.36CS..EExtended strand (participates in β ladder)trans-85.799.4175.2-179.7-174.8173.2178.80109.3M1 L28 A39 E40 G116 N126M1-K26 CarbonylContact O-C 3.56Å; K26-L28 HydrophobicContact CD-CD2 4.12Å; K26-L28 HydrophobicContact CG-CD2 4.17Å; K26-L28 PolarHBondContact O-N 2.83Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 WeakPolarHBondContact O-CA 3.19Å; K26-A39 WeakPolarHBondContact O-CB 3.29Å; K26-E40 HydrophobicContact CB-CB 4.3Å; K26-E40 PolarHBondContact N-O 3.04Å; K26-E40 IonicContact NZ-OE2 3.82Å; K26-E40 PolarHBondContact O-N 3.29Å; K26-G116 PolarHBondContact NZ-O 3.32Å; K26-N126 WeakPolarHBondContact CE-O 3.42Å; K26-N126 PolarHBondContact NZ-O 3.41Å
27V82.2Confident78.5Confident5 Ų571.7 Ų71.73%0.0336%0.359CS..EExtended strand (participates in β ladder)trans-70.5116.6175.1-177.70000109.6M1 A3 L25 Y37 I48 I53 M55M1-V27 HydrophobicContact CB-CB 4.47Å; M1-V27 PolarHBondContact N-O 3.32Å; M1-V27 WeakPolarHBondContact O-CA 3.44Å; M1-V27 PolarHBondContact O-N 2.75Å; A3-V27 HydrophobicContact CB-CG2 3.8Å; L25-V27 PolarHBondContact O-N 2.81Å; V27-Y37 HydrophobicContact CG1-CD1 4.16Å; V27-Y37 HydrophobicContact CG1-CG 4.07Å; V27-I48 HydrophobicContact CG2-CD1 4.42Å; V27-I53 HydrophobicContact CG2-CD1 4.31Å; V27-M55 HydrophobicContact CB-SD 4.48Å; V27-M55 HydrophobicContact CG2-SD 3.87Å
28L74.9Confident78.2Confident51 Ų5174.3 Ų74.327%0.26737%0.37SS..EExtended strand (participates in β ladder)trans-90.9-34.9-174.7-63.3177.6000113.1K26 K38 E40 D45K26-L28 HydrophobicContact CD-CD2 4.12Å; K26-L28 HydrophobicContact CG-CD2 4.17Å; K26-L28 PolarHBondContact O-N 2.83Å; L28-K38 HydrophobicContact CD1-CG 4.49Å; L28-K38 PolarHBondContact N-O 2.92Å; L28-E40 HydrophobicContact CD1-CB 4.02Å; L28-E40 HydrophobicContact CD2-CB 4.22Å; L28-E40 HydrophobicContact CG-CB 4.14Å; L28-D45 HydrophobicContact CD1-CB 4.08Å
29N69.5Low78Confident68 Ų6871.5 Ų71.536%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-154.2142.2178.9-164.5-1.1000111.8E31 K38N29-E31 PolarHBondContact OD1-N 2.83Å; N29-K38 PolarHBondContact N-O 2.91Å; N29-K38 PolarHBondContact O-N 2.95Å
30E58.9Low77.6Confident83 Ų8373.9 Ų73.939%0.38836%0.362SS..SBendtrans-93.2-9.1174.3-59.9-164.3160.400113.7M1 Y37M1-E30 HydrophobicContact CE-CG 4.37Å; M1-E30 WeakPolarHBondContact CE-OE1 3.24Å; E30-Y37 HydrophobicContact CB-CD1 4.26Å; E30-Y37 HydrophobicContact CB-CE1 3.77Å; E30-Y37 HydrophobicContact CG-CD1 4.12Å; E30-Y37 HydrophobicContact CG-CE1 3.6Å
31E55.5Low77.4Confident147 Ų14768.2 Ų68.269%0.68734%0.339SS*.  trans-104.933.8-163.6-60.8-170.6168.400116.2N29 K64N29-E31 PolarHBondContact OD1-N 2.83Å; E31-K64 IonicContact OE1-NZ 3.44Å
32C48.7Very low77.1Confident64 Ų6466.2 Ų66.243%0.43234%0.342SS..SBendtrans-110.6-23176.2-72.80000115.7F47C32-F47 HydrophobicContact CB-CE1 3.8Å; C32-F47 HydrophobicContact CB-CZ 4.41Å
33D58.3Low76.9Confident113 Ų11367 Ų6760%0.60435%0.35SS*.  trans-169.7164.8172.1-116.7-45.8000112.1N35 K50D33-N35 PolarHBondContact O-N 3.49Å; D33-K50 WeakPolarHBondContact O-CE 3.25Å; D33-K50 PolarHBondContact O-NZ 3.3Å
34Q65.6Low76.7Confident169 Ų16971.4 Ų71.479%0.7937%0.368SS*.SBendtrans-63.9-25.8178-73.1-175.514.400112.7K50Q34-K50 VanDerWaalsContact O-CD 3.31Å; Q34-K50 WeakPolarHBondContact O-CD 3.28Å; Q34-K50 WeakPolarHBondContact O-CE 3.48Å; Q34-K50 PolarHBondContact O-NZ 3.41Å
35N81.5Confident76.9Confident105 Ų10572.9 Ų72.956%0.56137%0.374SS*.SBendtrans-117-6-168.6-66.576.4000115.5D33 K50D33-N35 PolarHBondContact O-N 3.49Å; N35-K50 WeakPolarHBondContact O-CG 3.31Å; N35-K50 PolarHBondContact O-N 2.75Å
36W84.6Confident77Confident71 Ų7173 Ų7327%0.26938%0.376SS..EExtended strand (participates in β ladder)trans-129.5146.2-177-6687.7000112.2F9 E16 F47 I48 P49 K50F9-W36 HydrophobicContact CE1-CZ3 4.29Å; F9-W36 HydrophobicContact CE2-CH2 4.34Å; F9-W36 AromaticContact CZ-CH2 3.77Å; F9-W36 HydrophobicContact CZ-CH2 3.77Å; F9-W36 AromaticContact CZ-CZ3 3.89Å; F9-W36 HydrophobicContact CZ-CZ3 3.89Å; E16-W36 HydrophobicContact CG-CH2 4.06Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.21Å; W36-F47 HydrophobicContact CB-CD1 4.34Å; W36-F47 HydrophobicContact CD2-CB 4.45Å; W36-F47 HydrophobicContact CE3-CB 3.74Å; W36-F47 HydrophobicContact CZ3-CB 4.33Å; W36-I48 CarbonylContact C-O 3.55Å; W36-I48 WeakPolarHBondContact CA-O 3.17Å; W36-P49 HydrophobicContact CE3-CB 4.24Å; W36-P49 HydrophobicContact CH2-CB 4.28Å; W36-P49 HydrophobicContact CH2-CG 4.26Å; W36-P49 HydrophobicContact CZ3-CB 4.13Å; W36-P49 HydrophobicContact CZ3-CG 4.04Å; W36-K50 WeakPolarHBondContact O-CE 3.3Å
37Y84.4Confident77.4Confident33 Ų3374.3 Ų74.313%0.12938%0.381CS..EExtended strand (participates in β ladder)trans-111.4146.3168.2-75.2-51.7000109.8V27 E30 F47 I48 K50 I53 M55V27-Y37 HydrophobicContact CG1-CD1 4.16Å; V27-Y37 HydrophobicContact CG1-CG 4.07Å; E30-Y37 HydrophobicContact CB-CD1 4.26Å; E30-Y37 HydrophobicContact CB-CE1 3.77Å; E30-Y37 HydrophobicContact CG-CD1 4.12Å; E30-Y37 HydrophobicContact CG-CE1 3.6Å; Y37-F47 CarbonylContact O-C 3.6Å; Y37-F47 WeakPolarHBondContact O-CA 3.17Å; Y37-I48 PolarHBondContact N-O 3.23Å; Y37-I48 WeakPolarHBondContact O-CG1 3.44Å; Y37-I48 PolarHBondContact O-N 2.85Å; Y37-K50 HydrophobicContact CD1-CD 4.39Å; Y37-K50 HydrophobicContact CD1-CG 4.4Å; Y37-K50 HydrophobicContact CD2-CB 4.15Å; Y37-K50 HydrophobicContact CD2-CD 4.12Å; Y37-K50 HydrophobicContact CD2-CG 3.48Å; Y37-K50 VanDerWaalsContact CD2-CG 3.48Å; Y37-K50 HydrophobicContact CE1-CD 3.97Å; Y37-K50 VanDerWaalsContact CE1-CE 3.5Å; Y37-K50 HydrophobicContact CE1-CG 4.36Å; Y37-K50 HydrophobicContact CE2-CB 3.93Å; Y37-K50 HydrophobicContact CE2-CD 3.66Å; Y37-K50 HydrophobicContact CE2-CG 3.42Å; Y37-K50 VanDerWaalsContact CE2-CG 3.42Å; Y37-K50 HydrophobicContact CG-CD 4.46Å; Y37-K50 HydrophobicContact CG-CG 3.99Å; Y37-I53 HydrophobicContact CD2-CD1 3.54Å; Y37-I53 HydrophobicContact CD2-CG1 4.45Å; Y37-I53 HydrophobicContact CE2-CD1 4.15Å; Y37-M55 HydrophobicContact CE2-CG 4.44Å; Y37-M55 HydrophobicContact CE2-SD 4.25Å
38K85.1Confident77.8Confident67 Ų6774 Ų7429%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-85.5125.2165.4-167.8167.8-175.21760108.6L28 N29 D45 F47L28-K38 HydrophobicContact CD1-CG 4.49Å; L28-K38 PolarHBondContact N-O 2.92Å; N29-K38 PolarHBondContact N-O 2.91Å; N29-K38 PolarHBondContact O-N 2.95Å; K38-D45 WeakPolarHBondContact CE-OD2 3.09Å; K38-D45 IonicContact NZ-OD2 2.85Å; K38-D45 PolarHBondContact NZ-OD2 2.97Å; K38-F47 HydrophobicContact CB-CD1 4.26Å; K38-F47 HydrophobicContact CB-CE1 4.06Å; K38-F47 HydrophobicContact CG-CE1 4.48Å
39A88.6Confident78.5Confident0 Ų072 Ų720%037%0.369CS..EExtended strand (participates in β ladder)trans-137.2164.5-178.800000112.4L17 L25 K26 D45 G46 I48L17-A39 HydrophobicContact CD2-CB 4.36Å; L25-A39 HydrophobicContact CB-CB 4.5Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 WeakPolarHBondContact O-CA 3.19Å; K26-A39 WeakPolarHBondContact O-CB 3.29Å; A39-D45 CarbonylContact O-C 3.55Å; A39-D45 WeakPolarHBondContact O-CA 3.29Å; A39-D45 WeakPolarHBondContact O-CB 3.24Å; A39-G46 PolarHBondContact N-O 3.12Å; A39-G46 PolarHBondContact O-N 3.46Å; A39-G46 VanDerWaalsContact O-O 3.1Å; A39-I48 HydrophobicContact CB-CD1 3.33Å; A39-I48 HydrophobicContact CB-CG1 3.75Å; A39-I48 HydrophobicContact CB-CG2 4.13Å
40E86.8Confident79.2Confident56 Ų5671.3 Ų71.326%0.26236%0.363SS..EExtended strand (participates in β ladder)trans-123.8135178.3-170.7-166129.700109.7K26 L28 K44 D45K26-E40 HydrophobicContact CB-CB 4.3Å; K26-E40 PolarHBondContact N-O 3.04Å; K26-E40 IonicContact NZ-OE2 3.82Å; K26-E40 PolarHBondContact O-N 3.29Å; L28-E40 HydrophobicContact CD1-CB 4.02Å; L28-E40 HydrophobicContact CD2-CB 4.22Å; L28-E40 HydrophobicContact CG-CB 4.14Å; E40-K44 CarbonylContact C-O 3.54Å; E40-K44 WeakPolarHBondContact CA-O 3.32Å; E40-D45 HydrophobicContact CB-CB 4.44Å
41L87.4Confident80.6Confident22 Ų2272.8 Ų72.812%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-139.6125.5173.4-17964.3000109.2L17 F19 E23 L25 G43 K44L17-L41 HydrophobicContact CD1-CB 4.27Å; L17-L41 HydrophobicContact CD2-CB 3.66Å; L17-L41 HydrophobicContact CG-CB 4.26Å; F19-L41 HydrophobicContact CB-CD2 3.9Å; E23-L41 WeakPolarHBondContact OE2-CD2 3.03Å; L25-L41 HydrophobicContact CD2-CB 3.86Å; L25-L41 HydrophobicContact CD2-CD1 4.16Å; L25-L41 HydrophobicContact CD2-CD2 3.81Å; L25-L41 HydrophobicContact CD2-CG 4.15Å; L41-G43 PolarHBondContact O-N 3.16Å; L41-K44 PolarHBondContact N-O 2.77Å; L41-K44 PolarHBondContact O-N 2.76Å
42N83Confident82.2Confident146 Ų14669.5 Ų69.578%0.78136%0.356SS*.THydrogen-bonded Turntrans52.637.9179-60.5-39.8000113.9K44N42-K44 PolarHBondContact O-N 2.76Å
43G78.4Confident83.9Confident60 Ų6067 Ų6762%0.61934%0.338SS*.THydrogen-bonded Turntrans75.34.2-179.800000115.2L41L41-G43 PolarHBondContact O-N 3.16Å
44K83.8Confident84.9Confident155 Ų15566.6 Ų66.667%0.67433%0.332SS*.EExtended strand (participates in β ladder)trans-102.1130.9167.9-67.2-175.2177.1-175.60109.3L17 E40 L41 N42L17-K44 HydrophobicContact CD1-CB 4.05Å; E40-K44 CarbonylContact C-O 3.54Å; E40-K44 WeakPolarHBondContact CA-O 3.32Å; L41-K44 PolarHBondContact N-O 2.77Å; L41-K44 PolarHBondContact O-N 2.76Å; N42-K44 PolarHBondContact O-N 2.76Å
45D88.1Confident85.3Confident91 Ų9160.9 Ų60.949%0.48731%0.306SS..EExtended strand (participates in β ladder)trans-103.1154.7171.268.8-76.8000112.3L28 K38 A39 E40L28-D45 HydrophobicContact CD1-CB 4.08Å; K38-D45 WeakPolarHBondContact CE-OD2 3.09Å; K38-D45 IonicContact NZ-OD2 2.85Å; K38-D45 PolarHBondContact NZ-OD2 2.97Å; A39-D45 CarbonylContact O-C 3.55Å; A39-D45 WeakPolarHBondContact O-CA 3.29Å; A39-D45 WeakPolarHBondContact O-CB 3.24Å; E40-D45 HydrophobicContact CB-CB 4.44Å
46G90.2Very high84.5Confident3 Ų359.7 Ų59.73%0.03130%0.296CS..EExtended strand (participates in β ladder)trans179.6179.4175.100000111.4D15 A39D15-G46 CarbonylContact O-C 3.44Å; D15-G46 WeakPolarHBondContact O-CA 3.44Å; A39-G46 PolarHBondContact N-O 3.12Å; A39-G46 PolarHBondContact O-N 3.46Å; A39-G46 VanDerWaalsContact O-O 3.1Å
47F89.7Confident83.3Confident51 Ų5161 Ų6122%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-82.8137.5178-68.3-74.7000111.3D15 E16 L17 C32 W36 Y37 K38D15-F47 HydrophobicContact CB-CD2 4.07Å; D15-F47 HydrophobicContact CB-CE2 4.4Å; D15-F47 WeakPolarHBondContact O-CD2 3.21Å; D15-F47 PolarHBondContact O-N 3.12Å; E16-F47 WeakPolarHBondContact CA-O 3.19Å; L17-F47 PolarHBondContact N-O 3.11Å; C32-F47 HydrophobicContact CB-CE1 3.8Å; C32-F47 HydrophobicContact CB-CZ 4.41Å; W36-F47 HydrophobicContact CB-CD1 4.34Å; W36-F47 HydrophobicContact CD2-CB 4.45Å; W36-F47 HydrophobicContact CE3-CB 3.74Å; W36-F47 HydrophobicContact CZ3-CB 4.33Å; Y37-F47 CarbonylContact O-C 3.6Å; Y37-F47 WeakPolarHBondContact O-CA 3.17Å; K38-F47 HydrophobicContact CB-CD1 4.26Å; K38-F47 HydrophobicContact CB-CE1 4.06Å; K38-F47 HydrophobicContact CG-CE1 4.48Å
48I90.4Very high82.6Confident0 Ų061.7 Ų61.70%033%0.326CS..EExtended strand (participates in β ladder)trans-125.5140.8176.162.7171.2000110.2L17 F19 L25 V27 W36 Y37 A39 I53L17-I48 HydrophobicContact CB-CG2 3.77Å; L17-I48 HydrophobicContact CD2-CG2 4.14Å; L17-I48 HydrophobicContact CG-CG2 4.34Å; F19-I48 HydrophobicContact CD1-CB 4.41Å; F19-I48 HydrophobicContact CD1-CG2 3.73Å; F19-I48 HydrophobicContact CE1-CB 3.63Å; F19-I48 HydrophobicContact CE1-CG2 3.42Å; F19-I48 VanDerWaalsContact CE1-CG2 3.42Å; F19-I48 HydrophobicContact CZ-CB 4.35Å; L25-I48 HydrophobicContact CB-CD1 4.24Å; L25-I48 HydrophobicContact CD1-CD1 3.78Å; V27-I48 HydrophobicContact CG2-CD1 4.42Å; W36-I48 CarbonylContact C-O 3.55Å; W36-I48 WeakPolarHBondContact CA-O 3.17Å; Y37-I48 PolarHBondContact N-O 3.23Å; Y37-I48 WeakPolarHBondContact O-CG1 3.44Å; Y37-I48 PolarHBondContact O-N 2.85Å; A39-I48 HydrophobicContact CB-CD1 3.33Å; A39-I48 HydrophobicContact CB-CG1 3.75Å; A39-I48 HydrophobicContact CB-CG2 4.13Å; I48-I53 HydrophobicContact CD1-CD1 3.51Å; I48-I53 HydrophobicContact CD1-CG2 4.05Å; I48-I53 HydrophobicContact CG1-CD1 4.24Å
49P89.1Confident82.1Confident8 Ų861.3 Ų61.35%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-75.2132.1-178.319-18.6000111.3F9 W36 N51 Y52F9-P49 HydrophobicContact CD1-CG 4.46Å; F9-P49 HydrophobicContact CD2-CG 3.76Å; F9-P49 HydrophobicContact CE1-CG 4.42Å; F9-P49 HydrophobicContact CE2-CG 3.73Å; F9-P49 HydrophobicContact CG-CG 4.15Å; F9-P49 HydrophobicContact CZ-CG 4.08Å; W36-P49 HydrophobicContact CE3-CB 4.24Å; W36-P49 HydrophobicContact CH2-CB 4.28Å; W36-P49 HydrophobicContact CH2-CG 4.26Å; W36-P49 HydrophobicContact CZ3-CB 4.13Å; W36-P49 HydrophobicContact CZ3-CG 4.04Å; P49-N51 VanDerWaalsContact C-N 3.27Å; P49-N51 PolarHBondContact O-N 3Å; P49-Y52 HydrophobicContact CB-CD2 3.89Å; P49-Y52 HydrophobicContact CB-CG 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE2 4.36Å; P49-Y52 HydrophobicContact CG-CG 3.76Å; P49-Y52 PolarHBondContact O-N 3.21Å
50K86.1Confident82.1Confident54 Ų5461.7 Ų61.724%0.23533%0.332CS..G310 helixtrans-59.5-35.7-174.7-62.2-167.9-174.7169.40113.2D33 Q34 N35 W36 Y37 Y52 I53D33-K50 WeakPolarHBondContact O-CE 3.25Å; D33-K50 PolarHBondContact O-NZ 3.3Å; Q34-K50 VanDerWaalsContact O-CD 3.31Å; Q34-K50 WeakPolarHBondContact O-CD 3.28Å; Q34-K50 WeakPolarHBondContact O-CE 3.48Å; Q34-K50 PolarHBondContact O-NZ 3.41Å; N35-K50 WeakPolarHBondContact O-CG 3.31Å; N35-K50 PolarHBondContact O-N 2.75Å; W36-K50 WeakPolarHBondContact O-CE 3.3Å; Y37-K50 HydrophobicContact CD1-CD 4.39Å; Y37-K50 HydrophobicContact CD1-CG 4.4Å; Y37-K50 HydrophobicContact CD2-CB 4.15Å; Y37-K50 HydrophobicContact CD2-CD 4.12Å; Y37-K50 HydrophobicContact CD2-CG 3.48Å; Y37-K50 VanDerWaalsContact CD2-CG 3.48Å; Y37-K50 HydrophobicContact CE1-CD 3.97Å; Y37-K50 VanDerWaalsContact CE1-CE 3.5Å; Y37-K50 HydrophobicContact CE1-CG 4.36Å; Y37-K50 HydrophobicContact CE2-CB 3.93Å; Y37-K50 HydrophobicContact CE2-CD 3.66Å; Y37-K50 HydrophobicContact CE2-CG 3.42Å; Y37-K50 VanDerWaalsContact CE2-CG 3.42Å; Y37-K50 HydrophobicContact CG-CD 4.46Å; Y37-K50 HydrophobicContact CG-CG 3.99Å; K50-Y52 PolarHBondContact O-N 3.32Å; K50-I53 WeakPolarHBondContact O-CG1 3.32Å; K50-I53 PolarHBondContact O-N 2.93Å
51N87.6Confident82Confident113 Ų11360.9 Ų60.960%0.60433%0.328SS*.G310 helixtrans-76.5-7.8-179.162.5-40.5000113.9P49P49-N51 VanDerWaalsContact C-N 3.27Å; P49-N51 PolarHBondContact O-N 3Å
52Y88.3Confident81.8Confident79 Ų7962.6 Ų62.631%0.3133%0.334SS..G310 helixtrans-94.2-3.1177.3-81.6-116.6000113.1K6 Y7 F9 P49 K50K6-Y52 PolarHBondContact N-O 3.23Å; Y7-Y52 HydrophobicContact CD2-CD1 4.19Å; Y7-Y52 HydrophobicContact CD2-CG 4.31Å; Y7-Y52 HydrophobicContact CG-CD1 4.46Å; F9-Y52 HydrophobicContact CB-CD1 4.05Å; F9-Y52 HydrophobicContact CD2-CD1 4.23Å; F9-Y52 HydrophobicContact CD2-CE1 4.24Å; P49-Y52 HydrophobicContact CB-CD2 3.89Å; P49-Y52 HydrophobicContact CB-CG 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE2 4.36Å; P49-Y52 HydrophobicContact CG-CG 3.76Å; P49-Y52 PolarHBondContact O-N 3.21Å; K50-Y52 PolarHBondContact O-N 3.32Å
53I85.4Confident81.8Confident11 Ų1156.2 Ų56.26%0.05630%0.303CS..EExtended strand (participates in β ladder)trans-129.5153.2-175.769.6176000111.2A3 I4 F19 L25 V27 Y37 I48 K50 M55A3-I53 HydrophobicContact CB-CB 3.98Å; A3-I53 HydrophobicContact CB-CD1 3.57Å; A3-I53 HydrophobicContact CB-CG1 4.08Å; I4-I53 CarbonylContact O-C 3.59Å; I4-I53 VanDerWaalsContact O-CA 3.32Å; I4-I53 WeakPolarHBondContact O-CA 3.41Å; F19-I53 HydrophobicContact CE2-CG2 4.27Å; F19-I53 HydrophobicContact CZ-CG2 4.06Å; L25-I53 HydrophobicContact CD1-CG2 3.66Å; V27-I53 HydrophobicContact CG2-CD1 4.31Å; Y37-I53 HydrophobicContact CD2-CD1 3.54Å; Y37-I53 HydrophobicContact CD2-CG1 4.45Å; Y37-I53 HydrophobicContact CE2-CD1 4.15Å; I48-I53 HydrophobicContact CD1-CD1 3.51Å; I48-I53 HydrophobicContact CD1-CG2 4.05Å; I48-I53 HydrophobicContact CG1-CD1 4.24Å; K50-I53 WeakPolarHBondContact O-CG1 3.32Å; K50-I53 PolarHBondContact O-N 2.93Å; I53-M55 HydrophobicContact CD1-SD 4.45Å
54E79.9Confident81.9Confident104 Ų10460.6 Ų60.649%0.48631%0.305SS..EExtended strand (participates in β ladder)trans-105.6118.1163.4-151168145.700107.8A3 I4 K6 K56A3-E54 CarbonylContact C-O 3.54Å; A3-E54 WeakPolarHBondContact CA-O 3.26Å; A3-E54 WeakPolarHBondContact CB-O 3.24Å; I4-E54 HydrophobicContact CG2-CB 3.65Å; I4-E54 PolarHBondContact N-O 3.25Å; I4-E54 PolarHBondContact O-N 3.08Å; K6-E54 HydrophobicContact CD-CB 4.41Å; K6-E54 VanDerWaalsContact CE-CG 3.46Å; K6-E54 WeakPolarHBondContact CE-OE2 3.3Å; K6-E54 HydrophobicContact CG-CB 4.25Å; K6-E54 IonicContact NZ-OE2 3.15Å; K6-E54 PolarHBondContact NZ-OE2 2.77Å; K6-E54 VanDerWaalsContact NZ-OE2 3.12Å; E54-K56 PolarHBondContact O-N 2.78Å; E54-K56 VanDerWaalsContact O-N 3.15Å
55M72.9Confident81.9Confident49 Ų4954.5 Ų54.524%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-59.7122.3167.2-68.9-65.3-76.800107.4M1 A3 V27 Y37 I53 A57M1-M55 HydrophobicContact CB-CE 3.51Å; M1-M55 HydrophobicContact CE-CE 4.25Å; M1-M55 HydrophobicContact CG-CE 4.12Å; M1-M55 HydrophobicContact SD-CE 3.49Å; M1-M55 WeakPolarHBondContact SD-CE 3.29Å; A3-M55 HydrophobicContact CB-SD 3.88Å; V27-M55 HydrophobicContact CB-SD 4.48Å; V27-M55 HydrophobicContact CG2-SD 3.87Å; Y37-M55 HydrophobicContact CE2-CG 4.44Å; Y37-M55 HydrophobicContact CE2-SD 4.25Å; I53-M55 HydrophobicContact CD1-SD 4.45Å; M55-A57 PolarHBondContact O-N 3.09Å
56K65.3Low82Confident81 Ų8153.2 Ų53.235%0.35228%0.276SS..  trans-71.692.1169.9-76-172.4175176.30106.5E2 I4 E54 H58E2-K56 PolarHBondContact O-N 2.8Å; I4-K56 HydrophobicContact CG2-CG 4.32Å; E54-K56 PolarHBondContact O-N 2.78Å; E54-K56 VanDerWaalsContact O-N 3.15Å; K56-H58 PolarHBondContact O-CD2 2.84Å; K56-H58 PolarHBondContact O-N 2.87Å
57A59.4Low82.1Confident97 Ų9758.1 Ų58.180%0.80229%0.294SS*.  trans-62.5103.916900000106.7M55M55-A57 PolarHBondContact O-N 3.09Å
58H69.9Low82.2Confident48 Ų4859 Ų5922%0.22231%0.31CS..  trans-82.7132.7176-81.7-73.3000109.1K56 W60 F61 N129K56-H58 PolarHBondContact O-CD2 2.84Å; K56-H58 PolarHBondContact O-N 2.87Å; H58-W60 HydrophobicContact CB-CD2 3.72Å; H58-W60 HydrophobicContact CB-CE3 4.28Å; H58-W60 HydrophobicContact CB-CG 4.14Å; H58-W60 HydrophobicContact CB-CH2 4.15Å; H58-W60 HydrophobicContact CB-CZ2 3.59Å; H58-W60 HydrophobicContact CB-CZ3 4.46Å; H58-W60 AromaticContact CD2-CZ2 3.92Å; H58-W60 AromaticContact CG-CE2 3.58Å; H58-W60 AromaticContact CG-CZ2 3.44Å; H58-W60 VanDerWaalsContact CG-CZ2 3.44Å; H58-W60 AromaticContact CG-NE1 3.71Å; H58-W60 AromaticContact ND1-CE2 3.88Å; H58-W60 AromaticContact ND1-CZ2 3.88Å; H58-W60 AromaticContact ND1-NE1 3.58Å; H58-W60 PolarHBondContact O-N 2.8Å; H58-F61 HydrophobicContact CB-CB 4.42Å; H58-F61 PolarHBondContact O-N 3.42Å; H58-N129 PolarHBondContact CD2-ND2 2.69Å; H58-N129 VanDerWaalsContact CD2-ND2 3.31Å; H58-N129 PolarHBondContact CE1-ND2 3.31Å; H58-N129 PolarHBondContact NE2-ND2 2.79Å
59P74.9Confident82.2Confident60 Ų6063.1 Ų63.139%0.3933%0.328SS..THydrogen-bonded Turntrans-51.6-23.1178.9-30.636.4000114.6F62P59-F62 WeakPolarHBondContact O-CE2 3.16Å
60W86.8Confident82.3Confident8 Ų862.7 Ų62.73%0.0333%0.326CS..THydrogen-bonded Turntrans-95.7-9.8-178.750.1-103.1000114.6H58 F83 L84 I85 L128 V132H58-W60 HydrophobicContact CB-CD2 3.72Å; H58-W60 HydrophobicContact CB-CE3 4.28Å; H58-W60 HydrophobicContact CB-CG 4.14Å; H58-W60 HydrophobicContact CB-CH2 4.15Å; H58-W60 HydrophobicContact CB-CZ2 3.59Å; H58-W60 HydrophobicContact CB-CZ3 4.46Å; H58-W60 AromaticContact CD2-CZ2 3.92Å; H58-W60 AromaticContact CG-CE2 3.58Å; H58-W60 AromaticContact CG-CZ2 3.44Å; H58-W60 VanDerWaalsContact CG-CZ2 3.44Å; H58-W60 AromaticContact CG-NE1 3.71Å; H58-W60 AromaticContact ND1-CE2 3.88Å; H58-W60 AromaticContact ND1-CZ2 3.88Å; H58-W60 AromaticContact ND1-NE1 3.58Å; H58-W60 PolarHBondContact O-N 2.8Å; W60-F83 HydrophobicContact CB-CD2 4.23Å; W60-F83 HydrophobicContact CB-CE1 4.25Å; W60-F83 HydrophobicContact CB-CE2 3.43Å; W60-F83 VanDerWaalsContact CB-CE2 3.43Å; W60-F83 HydrophobicContact CB-CZ 3.42Å; W60-F83 VanDerWaalsContact CB-CZ 3.42Å; W60-F83 AromaticContact CD1-CZ 3.78Å; W60-F83 HydrophobicContact CD2-CE2 4.14Å; W60-F83 HydrophobicContact CD2-CZ 4.29Å; W60-F83 HydrophobicContact CE3-CE2 4.47Å; W60-F83 AromaticContact CG-CE2 3.71Å; W60-F83 HydrophobicContact CG-CE2 3.71Å; W60-F83 AromaticContact CG-CZ 3.55Å; W60-F83 HydrophobicContact CG-CZ 3.55Å; W60-L84 CarbonylContact O-C 3.44Å; W60-L84 VanDerWaalsContact O-CA 3.27Å; W60-L84 WeakPolarHBondContact O-CA 3.36Å; W60-I85 HydrophobicContact CE3-CB 4.08Å; W60-I85 HydrophobicContact CE3-CD1 3.85Å; W60-I85 HydrophobicContact CE3-CG1 4.14Å; W60-I85 HydrophobicContact CZ3-CB 4.29Å; W60-I85 HydrophobicContact CZ3-CD1 3.71Å; W60-I85 HydrophobicContact CZ3-CG1 4.38Å; W60-I85 PolarHBondContact O-N 2.89Å; W60-L128 HydrophobicContact CH2-CB 4.01Å; W60-L128 HydrophobicContact CZ3-CB 4.23Å; W60-V132 HydrophobicContact CD2-CG2 4.17Å; W60-V132 HydrophobicContact CE3-CG2 4.21Å; W60-V132 HydrophobicContact CH2-CG2 4.26Å; W60-V132 HydrophobicContact CZ2-CB 4.44Å; W60-V132 HydrophobicContact CZ2-CG2 4.19Å; W60-V132 HydrophobicContact CZ3-CG2 4.26Å
61F86.2Confident82.8Confident39 Ų3962.9 Ų62.917%0.17133%0.327CS..BIsolated β-bridgetrans-97.5116.5179.4-174.1-103.6000111.1M1 H58 I85 F95M1-F61 HydrophobicContact CE-CE1 3.62Å; M1-F61 HydrophobicContact CE-CZ 3.99Å; M1-F61 HydrophobicContact CG-CD1 4.22Å; M1-F61 HydrophobicContact CG-CE1 3.95Å; M1-F61 HydrophobicContact CG-CZ 4.27Å; M1-F61 HydrophobicContact SD-CD1 3.77Å; M1-F61 HydrophobicContact SD-CE1 3.37Å; M1-F61 WeakPolarHBondContact SD-CE1 3.08Å; M1-F61 HydrophobicContact SD-CZ 4.13Å; H58-F61 HydrophobicContact CB-CB 4.42Å; H58-F61 PolarHBondContact O-N 3.42Å; F61-I85 HydrophobicContact CD2-CB 4.24Å; F61-I85 HydrophobicContact CD2-CG2 3.94Å; F61-I85 HydrophobicContact CE2-CG2 4.18Å; F61-F95 AromaticContact CE2-CD1 3.95Å; F61-F95 HydrophobicContact CE2-CD1 3.95Å; F61-F95 AromaticContact CE2-CE1 3.68Å; F61-F95 HydrophobicContact CE2-CE1 3.68Å; F61-F95 AromaticContact CZ-CE1 3.91Å; F61-F95 HydrophobicContact CZ-CE1 3.91Å
62F82.2Confident83Confident58 Ų5861.5 Ų61.525%0.25432%0.317SS..  trans-109.24.6-174.3-78.5-96.5000113.8P59 K64 I65 M73 L84 I85 I151P59-F62 WeakPolarHBondContact O-CE2 3.16Å; F62-K64 PolarHBondContact O-N 2.86Å; F62-I65 HydrophobicContact CB-CD1 3.44Å; F62-I65 VanDerWaalsContact CB-CD1 3.44Å; F62-I65 HydrophobicContact CB-CG1 3.67Å; F62-I65 HydrophobicContact CB-CG2 4.09Å; F62-I65 HydrophobicContact CD1-CD1 4.27Å; F62-I65 HydrophobicContact CG-CD1 3.94Å; F62-I65 WeakPolarHBondContact O-CG2 3.46Å; F62-M73 HydrophobicContact CD1-CE 3.91Å; F62-M73 HydrophobicContact CD1-SD 4.47Å; F62-M73 HydrophobicContact CE1-CE 3.31Å; F62-M73 HydrophobicContact CE1-SD 4.41Å; F62-M73 HydrophobicContact CZ-CE 3.83Å; F62-L84 HydrophobicContact CD2-CB 3.53Å; F62-L84 HydrophobicContact CD2-CD2 4.14Å; F62-L84 HydrophobicContact CD2-CG 4.34Å; F62-L84 HydrophobicContact CE2-CB 3.86Å; F62-L84 HydrophobicContact CE2-CD2 4.41Å; F62-L84 HydrophobicContact CG-CB 4.44Å; F62-L84 HydrophobicContact CG-CD2 4.42Å; F62-I85 PolarHBondContact N-O 2.88Å; F62-I151 HydrophobicContact CE1-CD1 4.48Å; F62-I151 HydrophobicContact CE2-CD1 3.67Å; F62-I151 HydrophobicContact CZ-CD1 3.35Å
63G82.8Confident83.1Confident12 Ų1260 Ų6012%0.12431%0.314CS..SBendtrans56.8-134.7179.800000112.7I65 R86 E87G63-I65 VanDerWaalsContact C-N 3.3Å; G63-I65 PolarHBondContact O-N 3.09Å; G63-R86 CarbonylContact O-C 3.6Å; G63-R86 WeakPolarHBondContact O-CA 3.38Å; G63-E87 PolarHBondContact O-N 2.93Å
64K81.3Confident83.5Confident151 Ų15159.5 Ų59.566%0.65731%0.311SS*.SBendtrans-79.767.1-178-62.5-179.5-178.4174.40112.2E31 F62 E87E31-K64 IonicContact OE1-NZ 3.44Å; F62-K64 PolarHBondContact O-N 2.86Å; K64-E87 WeakPolarHBondContact CE-OE2 3.35Å; K64-E87 HydrophobicContact CG-CB 4.22Å; K64-E87 HydrophobicContact CG-CG 4.29Å; K64-E87 WeakPolarHBondContact CG-OE1 3.43Å; K64-E87 VanDerWaalsContact CG-OE2 3.3Å; K64-E87 WeakPolarHBondContact CG-OE2 3.19Å
65I84.6Confident84.1Confident28 Ų2858.2 Ų58.214%0.14431%0.308CS..  trans-100.2141.1167.560.1162.1000112.1F62 G63 A70 L84 R86F62-I65 HydrophobicContact CB-CD1 3.44Å; F62-I65 VanDerWaalsContact CB-CD1 3.44Å; F62-I65 HydrophobicContact CB-CG1 3.67Å; F62-I65 HydrophobicContact CB-CG2 4.09Å; F62-I65 HydrophobicContact CD1-CD1 4.27Å; F62-I65 HydrophobicContact CG-CD1 3.94Å; F62-I65 WeakPolarHBondContact O-CG2 3.46Å; G63-I65 VanDerWaalsContact C-N 3.3Å; G63-I65 PolarHBondContact O-N 3.09Å; I65-A70 HydrophobicContact CD1-CB 3.98Å; I65-L84 HydrophobicContact CD1-CD1 3.85Å; I65-L84 HydrophobicContact CD1-CD2 3.91Å; I65-R86 HydrophobicContact CD1-CB 4.32Å; I65-R86 HydrophobicContact CG1-CB 3.6Å; I65-R86 WeakPolarHBondContact O-CD 3.4Å
66P89.4Confident84.9Confident64 Ų6461.1 Ų61.142%0.41632%0.319SS..  trans-64.3152.8175.2-24.634.8000113.3A68 K69 A70 E89P66-A68 VanDerWaalsContact C-N 3.29Å; P66-A68 PolarHBondContact O-N 3.39Å; P66-K69 HydrophobicContact CB-CB 4.43Å; P66-K69 PolarHBondContact O-N 3.29Å; P66-A70 PolarHBondContact O-N 2.96Å; P66-E89 VanDerWaalsContact CA-OE1 3.25Å; P66-E89 WeakPolarHBondContact CA-OE1 3.37Å; P66-E89 WeakPolarHBondContact CB-OE1 3.42Å
67R92.1Very high86.1Confident105 Ų10558.1 Ų58.140%0.39631%0.306SS..Hα-helixtrans-52.3-48.8174.2-175.1-177.1164.2106.17.3111.7K69 A70 E71 E89 H107R67-K69 VanDerWaalsContact C-N 3.25Å; R67-K69 PolarHBondContact O-N 2.77Å; R67-A70 WeakPolarHBondContact O-CB 3.22Å; R67-A70 PolarHBondContact O-N 3.15Å; R67-A70 VanDerWaalsContact O-N 3.14Å; R67-E71 IonicContact CZ-OE1 3.77Å; R67-E71 VanDerWaalsContact CZ-OE1 3.22Å; R67-E71 IonicContact NE-OE1 2.76Å; R67-E71 PolarHBondContact NE-OE1 3.45Å; R67-E71 IonicContact NH2-OE1 3.29Å; R67-E71 PolarHBondContact NH2-OE1 3.5Å; R67-E71 WeakPolarHBondContact O-CG 3.46Å; R67-E71 PolarHBondContact O-N 2.81Å; R67-E89 WeakPolarHBondContact CB-OE2 3.39Å; R67-E89 PolarHBondContact N-OE2 2.77Å; R67-H107 PolarHBondContact NH1-CD2 2.95Å; R67-H107 VanDerWaalsContact NH1-CG 3.27Å; R67-H107 PolarHBondContact NH2-CD2 2.9Å; R67-H107 PolarHBondContact NH2-NE2 2.91Å
68A92.3Very high87.5Confident69 Ų6964.2 Ų64.257%0.5731%0.308SS*.Hα-helixtrans-60-37-179.400000112P66 E71 E72P66-A68 VanDerWaalsContact C-N 3.29Å; P66-A68 PolarHBondContact O-N 3.39Å; A68-E71 PolarHBondContact O-N 2.97Å; A68-E72 PolarHBondContact O-N 2.9Å
69K90Very high88.4Confident87 Ų8763.9 Ų63.938%0.37831%0.307SS..Hα-helixtrans-70.2-39.8177.4-170.660.3178.4-179.20111.7P66 R67 E71 E72 M73P66-K69 HydrophobicContact CB-CB 4.43Å; P66-K69 PolarHBondContact O-N 3.29Å; R67-K69 VanDerWaalsContact C-N 3.25Å; R67-K69 PolarHBondContact O-N 2.77Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.82Å; K69-E72 VanDerWaalsContact CD-OE2 3.3Å; K69-E72 WeakPolarHBondContact CD-OE2 3.42Å; K69-E72 IonicContact NZ-OE1 3.88Å; K69-E72 PolarHBondContact NZ-OE1 3.29Å; K69-E72 IonicContact NZ-OE2 2.85Å; K69-E72 PolarHBondContact NZ-OE2 3.49Å; K69-E72 PolarHBondContact O-N 3.25Å; K69-M73 HydrophobicContact CG-SD 4.18Å; K69-M73 VanDerWaalsContact O-CG 3.26Å; K69-M73 WeakPolarHBondContact O-CG 3.22Å; K69-M73 PolarHBondContact O-N 2.86Å
70A92.1Very high89.4Confident0 Ų064.4 Ų64.40%031%0.306CS..Hα-helixtrans-59.5-44.5173.400000111.6I65 P66 R67 M73 L74 L84I65-A70 HydrophobicContact CD1-CB 3.98Å; P66-A70 PolarHBondContact O-N 2.96Å; R67-A70 WeakPolarHBondContact O-CB 3.22Å; R67-A70 PolarHBondContact O-N 3.15Å; R67-A70 VanDerWaalsContact O-N 3.14Å; A70-M73 PolarHBondContact O-N 2.98Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.48Å; A70-L74 PolarHBondContact O-N 3.22Å; A70-L84 HydrophobicContact CB-CD1 3.82Å; A70-L84 HydrophobicContact CB-CD2 4.13Å; A70-L84 HydrophobicContact CB-CG 4.43Å
71E95Very high89.8Confident58 Ų5864 Ų6427%0.27131%0.305SS..Hα-helixtrans-61.2-46.2176.4-68.6172.9173.600111.5R67 A68 K69 M73 L74 N75 V105 H107R67-E71 IonicContact CZ-OE1 3.77Å; R67-E71 VanDerWaalsContact CZ-OE1 3.22Å; R67-E71 IonicContact NE-OE1 2.76Å; R67-E71 PolarHBondContact NE-OE1 3.45Å; R67-E71 IonicContact NH2-OE1 3.29Å; R67-E71 PolarHBondContact NH2-OE1 3.5Å; R67-E71 WeakPolarHBondContact O-CG 3.46Å; R67-E71 PolarHBondContact O-N 2.81Å; A68-E71 PolarHBondContact O-N 2.97Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.82Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.86Å; E71-L74 PolarHBondContact O-N 3.02Å; E71-N75 VanDerWaalsContact O-CB 3.26Å; E71-N75 WeakPolarHBondContact O-CB 3.17Å; E71-N75 VanDerWaalsContact O-CG 3.27Å; E71-N75 PolarHBondContact O-N 2.93Å; E71-N75 PolarHBondContact O-ND2 2.71Å; E71-V105 HydrophobicContact CB-CG2 4.48Å; E71-V105 HydrophobicContact CG-CB 4.09Å; E71-V105 HydrophobicContact CG-CG1 4.28Å; E71-V105 HydrophobicContact CG-CG2 4.46Å; E71-H107 IonicContact OE1-CE1 3.45Å; E71-H107 IonicContact OE1-NE2 3.57Å; E71-H107 PolarHBondContact OE1-NE2 3.17Å
72E92.2Very high90.2Very high84 Ų8462.2 Ų62.239%0.39330%0.297SS..Hα-helixtrans-58.5-43.5176.6-167-151.5141.500112.4A68 K69 K76A68-E72 PolarHBondContact O-N 2.9Å; K69-E72 VanDerWaalsContact CD-OE2 3.3Å; K69-E72 WeakPolarHBondContact CD-OE2 3.42Å; K69-E72 IonicContact NZ-OE1 3.88Å; K69-E72 PolarHBondContact NZ-OE1 3.29Å; K69-E72 IonicContact NZ-OE2 2.85Å; K69-E72 PolarHBondContact NZ-OE2 3.49Å; K69-E72 PolarHBondContact O-N 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.17Å; E72-K76 IonicContact OE1-NZ 2.77Å; E72-K76 PolarHBondContact OE1-NZ 3.45Å
73M89.8Confident90.9Very high48 Ų4859.4 Ų59.424%0.23629%0.285CS..Hα-helixtrans-70.2-43.7-179-70.3178.165.700112.1F62 K69 A70 E71 K76F62-M73 HydrophobicContact CD1-CE 3.91Å; F62-M73 HydrophobicContact CD1-SD 4.47Å; F62-M73 HydrophobicContact CE1-CE 3.31Å; F62-M73 HydrophobicContact CE1-SD 4.41Å; F62-M73 HydrophobicContact CZ-CE 3.83Å; K69-M73 HydrophobicContact CG-SD 4.18Å; K69-M73 VanDerWaalsContact O-CG 3.26Å; K69-M73 WeakPolarHBondContact O-CG 3.22Å; K69-M73 PolarHBondContact O-N 2.86Å; A70-M73 PolarHBondContact O-N 2.98Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.86Å; M73-K76 PolarHBondContact O-N 3.3Å
74L93.7Very high91.4Very high0 Ų058.9 Ų58.90%028%0.279CS..Hα-helixtrans-71.7-36.5-179-71.6177000111.9A70 E71 K76 Q77 A82 L84 S98 K100 V105 I151A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.48Å; A70-L74 PolarHBondContact O-N 3.22Å; E71-L74 PolarHBondContact O-N 3.02Å; L74-K76 PolarHBondContact O-N 3.25Å; L74-Q77 WeakPolarHBondContact O-CB 3.5Å; L74-Q77 WeakPolarHBondContact O-CG 3.09Å; L74-Q77 PolarHBondContact O-N 3.13Å; L74-A82 HydrophobicContact CD2-CB 4.34Å; L74-A82 WeakPolarHBondContact CD2-O 3.13Å; L74-L84 HydrophobicContact CD1-CD2 4.38Å; L74-L84 HydrophobicContact CD1-CG 4.13Å; L74-L84 HydrophobicContact CD2-CD2 4.29Å; L74-L84 HydrophobicContact CD2-CG 4.36Å; L74-L84 HydrophobicContact CG-CD2 4.06Å; L74-L84 HydrophobicContact CG-CG 4.27Å; L74-S98 WeakPolarHBondContact CD1-O 3.24Å; L74-K100 HydrophobicContact CB-CB 4.42Å; L74-K100 WeakPolarHBondContact O-CD 3.5Å; L74-V105 HydrophobicContact CB-CG1 4.46Å; L74-V105 HydrophobicContact CB-CG2 3.84Å; L74-V105 HydrophobicContact CD1-CG1 3.58Å; L74-V105 HydrophobicContact CD1-CG2 4.45Å; L74-I151 HydrophobicContact CD2-CG2 3.76Å
75N93.1Very high92Very high77 Ų7751.7 Ų51.741%0.41225%0.247SC..Hα-helixtrans-64.7-20.6177.7-78.1-28.2000113.9E71 Q77 V105E71-N75 VanDerWaalsContact O-CB 3.26Å; E71-N75 WeakPolarHBondContact O-CB 3.17Å; E71-N75 VanDerWaalsContact O-CG 3.27Å; E71-N75 PolarHBondContact O-N 2.93Å; E71-N75 PolarHBondContact O-ND2 2.71Å; N75-Q77 VanDerWaalsContact C-N 3.27Å; N75-V105 WeakPolarHBondContact OD1-CG2 3.46Å
76K89.4Confident92.3Very high110 Ų11050.9 Ų50.948%0.47824%0.243SC..THydrogen-bonded Turntrans-76.1-13.4173-67.6171.3-170.7175.50113.5E72 M73 L74E72-K76 WeakPolarHBondContact O-CG 3.17Å; E72-K76 IonicContact OE1-NZ 2.77Å; E72-K76 PolarHBondContact OE1-NZ 3.45Å; M73-K76 PolarHBondContact O-N 3.3Å; L74-K76 PolarHBondContact O-N 3.25Å
77Q90.6Very high92.1Very high17 Ų1750.2 Ų50.28%0.07923%0.234CC..  trans-76.1141.8-177.9-59.6-66.8-4300110.8L74 N75 A82 K100 I151 E152L74-Q77 WeakPolarHBondContact O-CB 3.5Å; L74-Q77 WeakPolarHBondContact O-CG 3.09Å; L74-Q77 PolarHBondContact O-N 3.13Å; N75-Q77 VanDerWaalsContact C-N 3.27Å; Q77-A82 HydrophobicContact CB-CB 3.53Å; Q77-A82 HydrophobicContact CG-CB 3.67Å; Q77-K100 HydrophobicContact CB-CD 4.04Å; Q77-K100 WeakPolarHBondContact O-CD 3.48Å; Q77-K100 WeakPolarHBondContact O-CE 3.46Å; Q77-I151 HydrophobicContact CG-CB 4.48Å; Q77-I151 HydrophobicContact CG-CG2 4.24Å; Q77-E152 PolarHBondContact NE2-O 3.49Å
78R88.5Confident91.6Very high226 Ų22645.6 Ų45.685%0.85322%0.218SC*.SBendtrans-85.6-13.6-174.3-66.3-179.2174.9-171.4-0.2114.1
79H90.6Very high90.9Very high40 Ų4047.8 Ų47.819%0.18522%0.216CC..SBendtrans-126.6147.1-173.55974.1000111.8D150 E152H79-D150 PolarHBondContact CE1-O 2.78Å; H79-E152 IonicContact CD2-OE1 3.38Å
80D94.7Very high90.2Very high72 Ų7249.1 Ų49.139%0.38524%0.237SC..THydrogen-bonded Turntrans-64155.7169.9-74.1-16.5000111.3A82 F101 G102D80-A82 PolarHBondContact O-N 3Å; D80-F101 HydrophobicContact CB-CD2 4.22Å; D80-G102 PolarHBondContact OD1-N 3.33Å
81G94.6Very high89.4Confident0 Ų050 Ų500%024%0.244CC..THydrogen-bonded Turntrans81-6.8-179.400000114.3F83 K100 F147 R149G81-F83 PolarHBondContact O-N 2.98Å; G81-K100 PolarHBondContact N-O 3.4Å; G81-F147 WeakPolarHBondContact CA-O 3.35Å; G81-R149 PolarHBondContact O-N 3.14Å
82A95.5Very high88.3Confident0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-54.4123.6170.400000108.9L74 Q77 D80 V99 K100 R149 I151L74-A82 HydrophobicContact CD2-CB 4.34Å; L74-A82 WeakPolarHBondContact CD2-O 3.13Å; Q77-A82 HydrophobicContact CB-CB 3.53Å; Q77-A82 HydrophobicContact CG-CB 3.67Å; D80-A82 PolarHBondContact O-N 3Å; A82-V99 CarbonylContact O-C 3.53Å; A82-V99 WeakPolarHBondContact O-CA 3.26Å; A82-K100 HydrophobicContact CB-CB 4.17Å; A82-K100 PolarHBondContact O-N 3.31Å; A82-R149 VanDerWaalsContact CA-O 3.26Å; A82-R149 WeakPolarHBondContact CA-O 3.48Å; A82-I151 HydrophobicContact CB-CG2 4.38Å
83F96.4Very high87.4Confident0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-139.7160.2-171.182.8-77.1000113.6W60 G81 L97 S98 V99 V132 L148 R149 I151W60-F83 HydrophobicContact CB-CD2 4.23Å; W60-F83 HydrophobicContact CB-CE1 4.25Å; W60-F83 HydrophobicContact CB-CE2 3.43Å; W60-F83 VanDerWaalsContact CB-CE2 3.43Å; W60-F83 HydrophobicContact CB-CZ 3.42Å; W60-F83 VanDerWaalsContact CB-CZ 3.42Å; W60-F83 AromaticContact CD1-CZ 3.78Å; W60-F83 HydrophobicContact CD2-CE2 4.14Å; W60-F83 HydrophobicContact CD2-CZ 4.29Å; W60-F83 HydrophobicContact CE3-CE2 4.47Å; W60-F83 AromaticContact CG-CE2 3.71Å; W60-F83 HydrophobicContact CG-CE2 3.71Å; W60-F83 AromaticContact CG-CZ 3.55Å; W60-F83 HydrophobicContact CG-CZ 3.55Å; G81-F83 PolarHBondContact O-N 2.98Å; F83-L97 HydrophobicContact CD2-CD1 4.33Å; F83-L97 HydrophobicContact CD2-CG 4.47Å; F83-S98 CarbonylContact C-O 3.55Å; F83-S98 WeakPolarHBondContact CA-O 3.4Å; F83-S98 WeakPolarHBondContact CB-O 3.37Å; F83-V99 HydrophobicContact CB-CB 4.02Å; F83-V99 HydrophobicContact CB-CG2 4.04Å; F83-V132 HydrophobicContact CE1-CG1 4.37Å; F83-V132 HydrophobicContact CE2-CG1 3.96Å; F83-V132 HydrophobicContact CE2-CG2 3.72Å; F83-V132 HydrophobicContact CZ-CB 4.45Å; F83-V132 HydrophobicContact CZ-CG1 3.45Å; F83-V132 VanDerWaalsContact CZ-CG1 3.45Å; F83-V132 HydrophobicContact CZ-CG2 4.11Å; F83-L148 HydrophobicContact CB-CD2 3.83Å; F83-L148 HydrophobicContact CD1-CB 3.62Å; F83-L148 HydrophobicContact CD1-CD1 4.47Å; F83-L148 HydrophobicContact CD1-CD2 4.05Å; F83-L148 HydrophobicContact CD1-CG 4.23Å; F83-L148 HydrophobicContact CD2-CD1 4.19Å; F83-L148 HydrophobicContact CD2-CD2 4.23Å; F83-L148 HydrophobicContact CE1-CB 3.73Å; F83-L148 HydrophobicContact CE1-CD1 4.5Å; F83-L148 HydrophobicContact CE2-CD1 4.17Å; F83-L148 HydrophobicContact CG-CB 4.18Å; F83-L148 HydrophobicContact CG-CD1 4.36Å; F83-L148 HydrophobicContact CG-CD2 3.76Å; F83-L148 HydrophobicContact CG-CG 4.3Å; F83-L148 HydrophobicContact CZ-CB 4.34Å; F83-L148 HydrophobicContact CZ-CD1 4.35Å; F83-R149 WeakPolarHBondContact CD1-O 3.44Å; F83-R149 PolarHBondContact N-O 2.82Å; F83-I151 WeakPolarHBondContact O-CG2 3.19Å
84L94.3Very high87.1Confident0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-143.9157166.560.878.6000110.8W60 F62 I65 A70 L74 R86 S98W60-L84 CarbonylContact O-C 3.44Å; W60-L84 VanDerWaalsContact O-CA 3.27Å; W60-L84 WeakPolarHBondContact O-CA 3.36Å; F62-L84 HydrophobicContact CD2-CB 3.53Å; F62-L84 HydrophobicContact CD2-CD2 4.14Å; F62-L84 HydrophobicContact CD2-CG 4.34Å; F62-L84 HydrophobicContact CE2-CB 3.86Å; F62-L84 HydrophobicContact CE2-CD2 4.41Å; F62-L84 HydrophobicContact CG-CB 4.44Å; F62-L84 HydrophobicContact CG-CD2 4.42Å; I65-L84 HydrophobicContact CD1-CD1 3.85Å; I65-L84 HydrophobicContact CD1-CD2 3.91Å; A70-L84 HydrophobicContact CB-CD1 3.82Å; A70-L84 HydrophobicContact CB-CD2 4.13Å; A70-L84 HydrophobicContact CB-CG 4.43Å; L74-L84 HydrophobicContact CD1-CD2 4.38Å; L74-L84 HydrophobicContact CD1-CG 4.13Å; L74-L84 HydrophobicContact CD2-CD2 4.29Å; L74-L84 HydrophobicContact CD2-CG 4.36Å; L74-L84 HydrophobicContact CG-CD2 4.06Å; L74-L84 HydrophobicContact CG-CG 4.27Å; L84-R86 HydrophobicContact CD1-CB 4.23Å; L84-R86 HydrophobicContact CD1-CG 4.42Å; L84-S98 PolarHBondContact N-O 3.41Å; L84-S98 PolarHBondContact O-N 3.08Å
85I92.8Very high86.9Confident0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-111.2132.2169.8-66.2178.1000108.3W60 F61 F62 F95 S96 L97 L128 V132W60-I85 HydrophobicContact CE3-CB 4.08Å; W60-I85 HydrophobicContact CE3-CD1 3.85Å; W60-I85 HydrophobicContact CE3-CG1 4.14Å; W60-I85 HydrophobicContact CZ3-CB 4.29Å; W60-I85 HydrophobicContact CZ3-CD1 3.71Å; W60-I85 HydrophobicContact CZ3-CG1 4.38Å; W60-I85 PolarHBondContact O-N 2.89Å; F61-I85 HydrophobicContact CD2-CB 4.24Å; F61-I85 HydrophobicContact CD2-CG2 3.94Å; F61-I85 HydrophobicContact CE2-CG2 4.18Å; F62-I85 PolarHBondContact N-O 2.88Å; I85-F95 HydrophobicContact CG2-CB 4.08Å; I85-F95 HydrophobicContact CG2-CD1 4.32Å; I85-F95 HydrophobicContact CG2-CG 4.43Å; I85-S96 WeakPolarHBondContact CA-O 3.39Å; I85-L97 HydrophobicContact CD1-CD1 4.3Å; I85-L97 HydrophobicContact CG1-CB 4.18Å; I85-L97 HydrophobicContact CG1-CD1 4.24Å; I85-L97 HydrophobicContact CG1-CG 4.26Å; I85-L128 HydrophobicContact CD1-CB 4.45Å; I85-L128 HydrophobicContact CD1-CD2 4.45Å; I85-L128 HydrophobicContact CG2-CD1 4.27Å; I85-V132 HydrophobicContact CD1-CG2 3.64Å
86R90.5Very high87Confident11 Ų1150.7 Ų50.74%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-130.7160.1178.266.3-177.5-172.4962.9110.6G63 I65 L84 E89 F95 S96G63-R86 CarbonylContact O-C 3.6Å; G63-R86 WeakPolarHBondContact O-CA 3.38Å; I65-R86 HydrophobicContact CD1-CB 4.32Å; I65-R86 HydrophobicContact CG1-CB 3.6Å; I65-R86 WeakPolarHBondContact O-CD 3.4Å; L84-R86 HydrophobicContact CD1-CB 4.23Å; L84-R86 HydrophobicContact CD1-CG 4.42Å; R86-E89 IonicContact CZ-OE2 2.69Å; R86-E89 IonicContact NH1-OE2 2.7Å; R86-E89 PolarHBondContact NH1-OE2 2.83Å; R86-E89 IonicContact NH2-OE2 2.75Å; R86-F95 CarbonylContact O-C 3.55Å; R86-F95 WeakPolarHBondContact O-CA 3.26Å; R86-S96 PolarHBondContact N-O 3.35Å; R86-S96 PolarHBondContact O-N 2.96Å
87E86.4Confident87.3Confident50 Ų5045.4 Ų45.423%0.23425%0.252CS..EExtended strand (participates in β ladder)trans-66.6144.4166.1-71.3-178.9-13500110.7G63 K64 E89 F95G63-E87 PolarHBondContact O-N 2.93Å; K64-E87 WeakPolarHBondContact CE-OE2 3.35Å; K64-E87 HydrophobicContact CG-CB 4.22Å; K64-E87 HydrophobicContact CG-CG 4.29Å; K64-E87 WeakPolarHBondContact CG-OE1 3.43Å; K64-E87 VanDerWaalsContact CG-OE2 3.3Å; K64-E87 WeakPolarHBondContact CG-OE2 3.19Å; E87-E89 PolarHBondContact O-N 2.83Å; E87-F95 HydrophobicContact CG-CD1 4.16Å; E87-F95 HydrophobicContact CG-CE1 3.87Å
88S81Confident87.6Confident9 Ų944.6 Ų44.66%0.06325%0.248CC..  trans-79.6117-178.5174.70000111.1S90 A91 D94S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 3.44Å; S88-S90 PolarHBondContact OG-OG 3.45Å; S88-A91 WeakPolarHBondContact CB-O 3.26Å; S88-A91 CarbonylContact O-C 3.39Å; S88-A91 PolarHBondContact O-N 3.29Å; S88-A91 PolarHBondContact OG-N 3.02Å; S88-D94 VanDerWaalsContact CB-O 3.25Å; S88-D94 WeakPolarHBondContact CB-O 3.32Å; S88-D94 PolarHBondContact N-O 2.88Å
89E78.5Confident88Confident115 Ų11533.9 Ų33.954%0.53721%0.207SC..THydrogen-bonded Turntrans-62.8-34.1175.8-71.3165.2115.700112.9P66 R67 R86 E87P66-E89 VanDerWaalsContact CA-OE1 3.25Å; P66-E89 WeakPolarHBondContact CA-OE1 3.37Å; P66-E89 WeakPolarHBondContact CB-OE1 3.42Å; R67-E89 WeakPolarHBondContact CB-OE2 3.39Å; R67-E89 PolarHBondContact N-OE2 2.77Å; R86-E89 IonicContact CZ-OE2 2.69Å; R86-E89 IonicContact NH1-OE2 2.7Å; R86-E89 PolarHBondContact NH1-OE2 2.83Å; R86-E89 IonicContact NH2-OE2 2.75Å; E87-E89 PolarHBondContact O-N 2.83Å
90S75.7Confident88.2Confident115 Ų11532.9 Ų32.980%0.80420%0.203SC*.THydrogen-bonded Turntrans-85.5-9.8-177.757.40000113.7S88S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 3.44Å; S88-S90 PolarHBondContact OG-OG 3.45Å
91A74.3Confident88.2Confident18 Ų1831.9 Ų31.915%0.14920%0.195CC..SBendtrans-150.892.3-176.200000109.8S88 G93 D94S88-A91 WeakPolarHBondContact CB-O 3.26Å; S88-A91 CarbonylContact O-C 3.39Å; S88-A91 PolarHBondContact O-N 3.29Å; S88-A91 PolarHBondContact OG-N 3.02Å; A91-G93 PolarHBondContact O-N 2.84Å; A91-D94 HydrophobicContact CB-CB 3.99Å; A91-D94 VanDerWaalsContact CB-OD2 3.31Å; A91-D94 WeakPolarHBondContact CB-OD2 3.16Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 3.2Å
92P72.6Confident88.1Confident129 Ų12933.4 Ų33.484%0.83821%0.211SC*.THydrogen-bonded Turntrans-54.7129.7177.7-25.534.6000111.4
93G71.6Confident87.9Confident64 Ų6440.4 Ų40.466%0.6625%0.248SC*.THydrogen-bonded Turntrans92-11.6-176.800000115.3A91A91-G93 PolarHBondContact O-N 2.84Å
94D83.5Confident87.7Confident47 Ų4746 Ų4625%0.25128%0.278SS..  trans-93.1157.3173.1-70.8-20.1000111.6S88 A91 K109S88-D94 VanDerWaalsContact CB-O 3.25Å; S88-D94 WeakPolarHBondContact CB-O 3.32Å; S88-D94 PolarHBondContact N-O 2.88Å; A91-D94 HydrophobicContact CB-CB 3.99Å; A91-D94 VanDerWaalsContact CB-OD2 3.31Å; A91-D94 WeakPolarHBondContact CB-OD2 3.16Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 3.2Å; D94-K109 WeakPolarHBondContact OD2-CE 3.44Å; D94-K109 IonicContact OD2-NZ 2.74Å; D94-K109 PolarHBondContact OD2-NZ 2.95Å
95F90.9Very high87.8Confident30 Ų3046.9 Ų46.913%0.13228%0.283CS..EExtended strand (participates in β ladder)trans-110.7152.8174.8-60.6-72.1000111.7F61 I85 R86 E87 V110 Y118 L128F61-F95 AromaticContact CE2-CD1 3.95Å; F61-F95 HydrophobicContact CE2-CD1 3.95Å; F61-F95 AromaticContact CE2-CE1 3.68Å; F61-F95 HydrophobicContact CE2-CE1 3.68Å; F61-F95 AromaticContact CZ-CE1 3.91Å; F61-F95 HydrophobicContact CZ-CE1 3.91Å; I85-F95 HydrophobicContact CG2-CB 4.08Å; I85-F95 HydrophobicContact CG2-CD1 4.32Å; I85-F95 HydrophobicContact CG2-CG 4.43Å; R86-F95 CarbonylContact O-C 3.55Å; R86-F95 WeakPolarHBondContact O-CA 3.26Å; E87-F95 HydrophobicContact CG-CD1 4.16Å; E87-F95 HydrophobicContact CG-CE1 3.87Å; F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.15Å; F95-V110 PolarHBondContact O-N 2.84Å; F95-Y118 HydrophobicContact CD2-CE1 4.12Å; F95-Y118 HydrophobicContact CE2-CE1 4.14Å; F95-L128 HydrophobicContact CD1-CD1 4.39Å; F95-L128 HydrophobicContact CD2-CD1 3.89Å; F95-L128 HydrophobicContact CD2-CD2 4.25Å; F95-L128 HydrophobicContact CE1-CD1 4.49Å; F95-L128 HydrophobicContact CE2-CD1 3.99Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.3Å
96S94.1Very high87.9Confident11 Ų1149.2 Ų49.28%0.07729%0.294CS..EExtended strand (participates in β ladder)trans-125.8126172.1-69.40000109.9I85 R86 F108I85-S96 WeakPolarHBondContact CA-O 3.39Å; R86-S96 PolarHBondContact N-O 3.35Å; R86-S96 PolarHBondContact O-N 2.96Å; S96-F108 CarbonylContact C-O 3.45Å; S96-F108 WeakPolarHBondContact CA-O 3.41Å
97L95.5Very high88.1Confident0 Ų050.7 Ų50.70%030%0.302CS..EExtended strand (participates in β ladder)trans-88.3121.7169.7-178.4148.5000108.4F83 I85 V99 H107 F108 V110 L131 V140 L148F83-L97 HydrophobicContact CD2-CD1 4.33Å; F83-L97 HydrophobicContact CD2-CG 4.47Å; I85-L97 HydrophobicContact CD1-CD1 4.3Å; I85-L97 HydrophobicContact CG1-CB 4.18Å; I85-L97 HydrophobicContact CG1-CD1 4.24Å; I85-L97 HydrophobicContact CG1-CG 4.26Å; L97-V99 HydrophobicContact CD2-CB 4.06Å; L97-V99 HydrophobicContact CD2-CG1 4.14Å; L97-H107 CarbonylContact O-C 3.53Å; L97-H107 WeakPolarHBondContact O-CA 3.34Å; L97-F108 HydrophobicContact CB-CB 4.42Å; L97-F108 HydrophobicContact CD2-CD2 3.78Å; L97-F108 PolarHBondContact N-O 2.9Å; L97-F108 PolarHBondContact O-N 3.45Å; L97-V110 HydrophobicContact CB-CG2 4.16Å; L97-L131 HydrophobicContact CD1-CD2 4.19Å; L97-V140 HydrophobicContact CD2-CG2 4.08Å; L97-L148 HydrophobicContact CD1-CD1 3.85Å; L97-L148 HydrophobicContact CD1-CD2 4.19Å; L97-L148 HydrophobicContact CD2-CD2 4.14Å
98S96.8Very high88.5Confident0 Ų049.5 Ų49.50%030%0.295CS..EExtended strand (participates in β ladder)trans-111130.1177-47.60000108.1L74 F83 L84 Q106 H107L74-S98 WeakPolarHBondContact CD1-O 3.24Å; F83-S98 CarbonylContact C-O 3.55Å; F83-S98 WeakPolarHBondContact CA-O 3.4Å; F83-S98 WeakPolarHBondContact CB-O 3.37Å; L84-S98 PolarHBondContact N-O 3.41Å; L84-S98 PolarHBondContact O-N 3.08Å; S98-Q106 CarbonylContact C-O 3.55Å; S98-Q106 WeakPolarHBondContact CA-O 3.27Å; S98-H107 WeakPolarHBondContact CB-ND1 2.94Å; S98-H107 PolarHBondContact OG-CE1 2.76Å; S98-H107 PolarHBondContact OG-ND1 3.27Å
99V97Very high89.1Confident0 Ų053.7 Ų53.70%031%0.313CS..EExtended strand (participates in β ladder)trans-137.8135-175.562.80000110.9A82 F83 L97 V105 Q106 F108 V140 I146 L148A82-V99 CarbonylContact O-C 3.53Å; A82-V99 WeakPolarHBondContact O-CA 3.26Å; F83-V99 HydrophobicContact CB-CB 4.02Å; F83-V99 HydrophobicContact CB-CG2 4.04Å; L97-V99 HydrophobicContact CD2-CB 4.06Å; L97-V99 HydrophobicContact CD2-CG1 4.14Å; V99-V105 WeakPolarHBondContact O-CA 3.09Å; V99-Q106 HydrophobicContact CG1-CB 4.09Å; V99-Q106 PolarHBondContact N-O 2.83Å; V99-Q106 PolarHBondContact O-N 3.35Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE2 3.52Å; V99-V140 HydrophobicContact CG1-CG1 4.32Å; V99-I146 HydrophobicContact CG1-CG2 4.45Å; V99-I146 HydrophobicContact CG2-CG2 3.76Å; V99-L148 HydrophobicContact CG2-CD2 4.21Å
100K96.1Very high89.8Confident20 Ų2048.4 Ų48.49%0.08729%0.288CS..EExtended strand (participates in β ladder)trans-73132.6173.1-179.5-178.8172.5680110L74 Q77 G81 A82 G102L74-K100 HydrophobicContact CB-CB 4.42Å; L74-K100 WeakPolarHBondContact O-CD 3.5Å; Q77-K100 HydrophobicContact CB-CD 4.04Å; Q77-K100 WeakPolarHBondContact O-CD 3.48Å; Q77-K100 WeakPolarHBondContact O-CE 3.46Å; G81-K100 PolarHBondContact N-O 3.4Å; A82-K100 HydrophobicContact CB-CB 4.17Å; A82-K100 PolarHBondContact O-N 3.31Å; K100-G102 WeakPolarHBondContact CE-O 3.45Å; K100-G102 PolarHBondContact NZ-O 2.81Å
101F95.1Very high90.5Very high51 Ų5146 Ų4622%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-146.6116.8167.2-174.1-104.8000110.6D80 N103 D104 Q144 I146D80-F101 HydrophobicContact CB-CD2 4.22Å; F101-N103 PolarHBondContact O-N 2.8Å; F101-D104 PolarHBondContact N-O 3.5Å; F101-D104 PolarHBondContact O-N 3.25Å; F101-Q144 VanDerWaalsContact CD1-OE1 3.24Å; F101-Q144 HydrophobicContact CE1-CB 4.18Å; F101-Q144 HydrophobicContact CE1-CG 3.99Å; F101-Q144 VanDerWaalsContact CE1-OE1 3.25Å; F101-Q144 HydrophobicContact CZ-CB 4.08Å; F101-Q144 HydrophobicContact CZ-CG 4.27Å; F101-I146 HydrophobicContact CB-CD1 3.8Å; F101-I146 HydrophobicContact CB-CG1 4.45Å; F101-I146 HydrophobicContact CD1-CD1 4.16Å; F101-I146 HydrophobicContact CD2-CB 4.45Å; F101-I146 HydrophobicContact CD2-CD1 3.74Å; F101-I146 HydrophobicContact CD2-CG1 3.5Å; F101-I146 VanDerWaalsContact CD2-CG1 3.5Å; F101-I146 HydrophobicContact CD2-CG2 4.44Å; F101-I146 HydrophobicContact CE2-CD1 4.34Å; F101-I146 HydrophobicContact CE2-CG1 3.78Å; F101-I146 HydrophobicContact CG-CD1 3.61Å; F101-I146 HydrophobicContact CG-CG1 3.94Å; F101-I146 HydrophobicContact CZ-CG1 4.46Å
102G91.4Very high91.2Very high32 Ų3250.8 Ų50.833%0.3328%0.28SS..THydrogen-bonded Turntrans62-123.4-171.300000111.5D80 K100D80-G102 PolarHBondContact OD1-N 3.33Å; K100-G102 WeakPolarHBondContact CE-O 3.45Å; K100-G102 PolarHBondContact NZ-O 2.81Å
103N90.6Very high91.9Very high147 Ų14746.2 Ų46.279%0.78625%0.249SC*.THydrogen-bonded Turntrans-95.7-1.3-179.5-68.2-22.7000113.7F101F101-N103 PolarHBondContact O-N 2.8Å
104D92.8Very high92.4Very high117 Ų11747.7 Ų47.763%0.62626%0.264SS*.EExtended strand (participates in β ladder)trans-119.4164.6-173.5-61.8-50.4000111.6F101F101-D104 PolarHBondContact N-O 3.5Å; F101-D104 PolarHBondContact O-N 3.25Å
105V96.1Very high92.3Very high18 Ų1849.2 Ų49.211%0.10928%0.283CS..EExtended strand (participates in β ladder)trans-113.4121.6172.5179.90000108.7E71 L74 N75 V99 H107E71-V105 HydrophobicContact CB-CG2 4.48Å; E71-V105 HydrophobicContact CG-CB 4.09Å; E71-V105 HydrophobicContact CG-CG1 4.28Å; E71-V105 HydrophobicContact CG-CG2 4.46Å; L74-V105 HydrophobicContact CB-CG1 4.46Å; L74-V105 HydrophobicContact CB-CG2 3.84Å; L74-V105 HydrophobicContact CD1-CG1 3.58Å; L74-V105 HydrophobicContact CD1-CG2 4.45Å; N75-V105 WeakPolarHBondContact OD1-CG2 3.46Å; V99-V105 WeakPolarHBondContact O-CA 3.09Å; V105-H107 WeakPolarHBondContact CG1-NE2 3.46Å; V105-H107 PolarHBondContact O-CD2 3.04Å
106Q95.7Very high91.8Very high49 Ų4948.1 Ų48.123%0.22928%0.28CS..EExtended strand (participates in β ladder)trans-94141.7175.8-63.4-174.725.600109.9S98 V99 F108S98-Q106 CarbonylContact C-O 3.55Å; S98-Q106 WeakPolarHBondContact CA-O 3.27Å; V99-Q106 HydrophobicContact CG1-CB 4.09Å; V99-Q106 PolarHBondContact N-O 2.83Å; V99-Q106 PolarHBondContact O-N 3.35Å; Q106-F108 HydrophobicContact CB-CE2 3.78Å; Q106-F108 HydrophobicContact CB-CZ 4.12Å
107H95.2Very high91.4Very high43 Ų4351.6 Ų51.620%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-123.5124.2-178.7-56.3-99.3000110.1R67 E71 L97 S98 V105R67-H107 PolarHBondContact NH1-CD2 2.95Å; R67-H107 VanDerWaalsContact NH1-CG 3.27Å; R67-H107 PolarHBondContact NH2-CD2 2.9Å; R67-H107 PolarHBondContact NH2-NE2 2.91Å; E71-H107 IonicContact OE1-CE1 3.45Å; E71-H107 IonicContact OE1-NE2 3.57Å; E71-H107 PolarHBondContact OE1-NE2 3.17Å; L97-H107 CarbonylContact O-C 3.53Å; L97-H107 WeakPolarHBondContact O-CA 3.34Å; S98-H107 WeakPolarHBondContact CB-ND1 2.94Å; S98-H107 PolarHBondContact OG-CE1 2.76Å; S98-H107 PolarHBondContact OG-ND1 3.27Å; V105-H107 WeakPolarHBondContact CG1-NE2 3.46Å; V105-H107 PolarHBondContact O-CD2 3.04Å
108F94.2Very high91.2Very high24 Ų2452.3 Ų52.311%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-112.3123.8179-59-85.9000108.8S96 L97 V99 Q106 V110 L120 W121 V140S96-F108 CarbonylContact C-O 3.45Å; S96-F108 WeakPolarHBondContact CA-O 3.41Å; L97-F108 HydrophobicContact CB-CB 4.42Å; L97-F108 HydrophobicContact CD2-CD2 3.78Å; L97-F108 PolarHBondContact N-O 2.9Å; L97-F108 PolarHBondContact O-N 3.45Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE2 3.52Å; Q106-F108 HydrophobicContact CB-CE2 3.78Å; Q106-F108 HydrophobicContact CB-CZ 4.12Å; F108-V110 PolarHBondContact O-N 3.43Å; F108-L120 HydrophobicContact CB-CD1 4.4Å; F108-L120 HydrophobicContact CB-CD2 3.94Å; F108-W121 HydrophobicContact CD1-CH2 4.29Å; F108-W121 AromaticContact CD1-CZ2 3.73Å; F108-W121 HydrophobicContact CD1-CZ2 3.73Å; F108-W121 HydrophobicContact CE1-CH2 4.39Å; F108-W121 AromaticContact CE1-CZ2 3.73Å; F108-W121 HydrophobicContact CE1-CZ2 3.73Å; F108-V140 HydrophobicContact CD2-CG2 4.16Å; F108-V140 HydrophobicContact CE2-CG1 4.19Å; F108-V140 HydrophobicContact CE2-CG2 4.3Å; F108-V140 HydrophobicContact CG-CG2 4.45Å
109K92.8Very high91.1Very high98 Ų9854.1 Ų54.143%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-70.4122.7172.8-170.4174.6-178.1-179.90108.5D94 L111D94-K109 WeakPolarHBondContact OD2-CE 3.44Å; D94-K109 IonicContact OD2-NZ 2.74Å; D94-K109 PolarHBondContact OD2-NZ 2.95Å; K109-L111 HydrophobicContact CD-CD2 3.81Å; K109-L111 HydrophobicContact CG-CD2 3.93Å; K109-L111 PolarHBondContact O-N 2.69Å
110V93.2Very high90.9Very high3 Ų354.6 Ų54.62%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-82.7113.8171.5-173.50000107.5F95 L97 F108 Y118 L120 L128 L131F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.15Å; F95-V110 PolarHBondContact O-N 2.84Å; L97-V110 HydrophobicContact CB-CG2 4.16Å; F108-V110 PolarHBondContact O-N 3.43Å; V110-Y118 HydrophobicContact CG1-CD1 4.02Å; V110-Y118 HydrophobicContact CG1-CG 4.5Å; V110-L120 HydrophobicContact CB-CD2 4.28Å; V110-L120 HydrophobicContact CG2-CD2 3.8Å; V110-L128 HydrophobicContact CG1-CD2 3.76Å; V110-L131 HydrophobicContact CG1-CD1 3.88Å
111L91.1Very high90.7Very high66 Ų6658.5 Ų58.535%0.34632%0.321SS..EExtended strand (participates in β ladder)trans-89.8154.4179.5-59.3177.7000110.1K109 Y118 F119K109-L111 HydrophobicContact CD-CD2 3.81Å; K109-L111 HydrophobicContact CG-CD2 3.93Å; K109-L111 PolarHBondContact O-N 2.69Å; L111-Y118 CarbonylContact O-C 3.45Å; L111-Y118 VanDerWaalsContact O-CA 3.28Å; L111-Y118 WeakPolarHBondContact O-CA 3.29Å; L111-F119 HydrophobicContact CB-CD1 4.21Å; L111-F119 HydrophobicContact CB-CD2 4.06Å; L111-F119 HydrophobicContact CB-CE1 3.79Å; L111-F119 HydrophobicContact CB-CE2 3.66Å; L111-F119 HydrophobicContact CB-CG 4.33Å; L111-F119 HydrophobicContact CB-CZ 3.5Å; L111-F119 HydrophobicContact CD1-CD2 4.31Å; L111-F119 HydrophobicContact CD1-CE2 3.6Å; L111-F119 HydrophobicContact CD1-CZ 4.03Å; L111-F119 HydrophobicContact CG-CE2 4.25Å; L111-F119 HydrophobicContact CG-CZ 4.43Å; L111-F119 PolarHBondContact N-O 2.81Å; L111-F119 PolarHBondContact O-N 3.28Å
112R88.8Confident90.5Very high118 Ų11861.7 Ų61.745%0.44535%0.345SS..EExtended strand (participates in β ladder)trans-125.2131.6174.2-165.1177.1-174.9-156.1-9.3109.1G116 K117 Y118R112-G116 PolarHBondContact NE-O 3.19Å; R112-G116 VanDerWaalsContact NE-O 3.1Å; R112-K117 CarbonylContact C-O 3.47Å; R112-K117 VanDerWaalsContact CA-O 3.27Å; R112-K117 WeakPolarHBondContact CA-O 3.4Å; R112-Y118 HydrophobicContact CG-CD1 4.47Å; R112-Y118 HydrophobicContact CG-CE1 4.35Å
113D87.9Confident90.6Very high33 Ų3363.3 Ų63.318%0.17635%0.348CS..  trans-84.5174.9175.8745.4000111.8A115 G116 K117 F119 K124D113-A115 PolarHBondContact O-N 3.48Å; D113-A115 WeakPolarHBondContact OD1-CA 3.47Å; D113-A115 PolarHBondContact OD1-N 3.44Å; D113-G116 WeakPolarHBondContact O-CA 3.45Å; D113-G116 PolarHBondContact O-N 3.4Å; D113-G116 PolarHBondContact OD1-N 3.12Å; D113-K117 PolarHBondContact N-O 3.46Å; D113-K117 WeakPolarHBondContact OD1-CB 3.43Å; D113-K117 PolarHBondContact OD1-N 2.85Å; D113-F119 HydrophobicContact CB-CE1 3.91Å; D113-K124 WeakPolarHBondContact OD2-CD 3.33Å; D113-K124 WeakPolarHBondContact OD2-CE 3.27Å; D113-K124 IonicContact OD2-NZ 3.12Å; D113-K124 PolarHBondContact OD2-NZ 2.8Å
114G82.1Confident90.7Very high95 Ų9561.4 Ų61.498%0.97933%0.333SS*.THydrogen-bonded Turntrans-63.4-18.3179.600000114.5G116G114-G116 VanDerWaalsContact C-N 3.3Å
115A81.4Confident90.6Very high79 Ų7956.5 Ų56.565%0.65331%0.306SS*.THydrogen-bonded Turntrans-90.74.2172.800000112.3D113D113-A115 PolarHBondContact O-N 3.48Å; D113-A115 WeakPolarHBondContact OD1-CA 3.47Å; D113-A115 PolarHBondContact OD1-N 3.44Å
116G80.4Confident89.9Confident7 Ų759.2 Ų59.27%0.07232%0.32CS..  trans80.315176.100000115.3K26 R112 D113 G114K26-G116 PolarHBondContact NZ-O 3.32Å; R112-G116 PolarHBondContact NE-O 3.19Å; R112-G116 VanDerWaalsContact NE-O 3.1Å; D113-G116 WeakPolarHBondContact O-CA 3.45Å; D113-G116 PolarHBondContact O-N 3.4Å; D113-G116 PolarHBondContact OD1-N 3.12Å; G114-G116 VanDerWaalsContact C-N 3.3Å
117K86.1Confident89.3Confident83 Ų8357.2 Ų57.236%0.36131%0.312SS..  trans-85.9140.6177.9-61.1-167.6174.5-161.90111.8R112 D113 K124 F125R112-K117 CarbonylContact C-O 3.47Å; R112-K117 VanDerWaalsContact CA-O 3.27Å; R112-K117 WeakPolarHBondContact CA-O 3.4Å; D113-K117 PolarHBondContact N-O 3.46Å; D113-K117 WeakPolarHBondContact OD1-CB 3.43Å; D113-K117 PolarHBondContact OD1-N 2.85Å; K117-K124 HydrophobicContact CB-CB 4.16Å; K117-K124 HydrophobicContact CD-CB 4.27Å; K117-F125 CarbonylContact C-O 3.56Å; K117-F125 VanDerWaalsContact CA-O 3.25Å; K117-F125 WeakPolarHBondContact CA-O 3.31Å; K117-F125 WeakPolarHBondContact CB-O 3.25Å
118Y90.6Very high88.9Confident16 Ų1655.5 Ų55.56%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-90.2143.8-178.6-59.1-79.8000111.9F95 V110 L111 R112 K124 F125 L128F95-Y118 HydrophobicContact CD2-CE1 4.12Å; F95-Y118 HydrophobicContact CE2-CE1 4.14Å; V110-Y118 HydrophobicContact CG1-CD1 4.02Å; V110-Y118 HydrophobicContact CG1-CG 4.5Å; L111-Y118 CarbonylContact O-C 3.45Å; L111-Y118 VanDerWaalsContact O-CA 3.28Å; L111-Y118 WeakPolarHBondContact O-CA 3.29Å; R112-Y118 HydrophobicContact CG-CD1 4.47Å; R112-Y118 HydrophobicContact CG-CE1 4.35Å; Y118-K124 CarbonylContact O-C 3.58Å; Y118-K124 WeakPolarHBondContact O-CA 3.17Å; Y118-F125 PolarHBondContact N-O 3.27Å; Y118-F125 WeakPolarHBondContact O-CD2 3.15Å; Y118-F125 PolarHBondContact O-N 3.29Å; Y118-L128 HydrophobicContact CD1-CD2 3.85Å; Y118-L128 HydrophobicContact CD1-CG 4.42Å; Y118-L128 HydrophobicContact CE1-CD2 4.24Å; Y118-L128 HydrophobicContact CE1-CG 4.43Å; Y118-L128 HydrophobicContact CG-CD2 4.05Å; Y118-L128 HydrophobicContact CG-CG 4.49Å
119F94.1Very high88.5Confident37 Ų3755 Ų5516%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-158.9152.5174.659.9-79000111.8L111 D113 W121 V123 K124L111-F119 HydrophobicContact CB-CD1 4.21Å; L111-F119 HydrophobicContact CB-CD2 4.06Å; L111-F119 HydrophobicContact CB-CE1 3.79Å; L111-F119 HydrophobicContact CB-CE2 3.66Å; L111-F119 HydrophobicContact CB-CG 4.33Å; L111-F119 HydrophobicContact CB-CZ 3.5Å; L111-F119 HydrophobicContact CD1-CD2 4.31Å; L111-F119 HydrophobicContact CD1-CE2 3.6Å; L111-F119 HydrophobicContact CD1-CZ 4.03Å; L111-F119 HydrophobicContact CG-CE2 4.25Å; L111-F119 HydrophobicContact CG-CZ 4.43Å; L111-F119 PolarHBondContact N-O 2.81Å; L111-F119 PolarHBondContact O-N 3.28Å; D113-F119 HydrophobicContact CB-CE1 3.91Å; F119-W121 VanDerWaalsContact CD2-O 3.29Å; F119-W121 WeakPolarHBondContact CD2-O 3.4Å; F119-V123 WeakPolarHBondContact CB-O 3.45Å; F119-K124 HydrophobicContact CB-CG 4.15Å; F119-K124 HydrophobicContact CD1-CG 4.25Å; F119-K124 HydrophobicContact CG-CG 4.32Å
120L93.3Very high88.3Confident11 Ų1154.2 Ų54.26%0.05830%0.3CS..SBendtrans-96.7-34.1165.6-60.1-178.8000111.4F108 V110 L131 V140F108-L120 HydrophobicContact CB-CD1 4.4Å; F108-L120 HydrophobicContact CB-CD2 3.94Å; V110-L120 HydrophobicContact CB-CD2 4.28Å; V110-L120 HydrophobicContact CG2-CD2 3.8Å; L120-L131 HydrophobicContact CD1-CD2 4.34Å; L120-L131 HydrophobicContact CG-CD1 4.22Å; L120-L131 HydrophobicContact CG-CD2 4.41Å; L120-V140 HydrophobicContact CD1-CG2 3.33Å
121W92.6Very high88.3Confident101 Ų10154 Ų5438%0.38330%0.299SS..SBendtrans-137.5-110.7-169.6-55.5121.2000111.5F108 F119 V140 R142F108-W121 HydrophobicContact CD1-CH2 4.29Å; F108-W121 AromaticContact CD1-CZ2 3.73Å; F108-W121 HydrophobicContact CD1-CZ2 3.73Å; F108-W121 HydrophobicContact CE1-CH2 4.39Å; F108-W121 AromaticContact CE1-CZ2 3.73Å; F108-W121 HydrophobicContact CE1-CZ2 3.73Å; F119-W121 VanDerWaalsContact CD2-O 3.29Å; F119-W121 WeakPolarHBondContact CD2-O 3.4Å; W121-V140 PolarHBondContact NE1-O 3.28Å; W121-R142 HydrophobicContact CD2-CG 4.39Å; W121-R142 HydrophobicContact CZ2-CG 4.46Å
122V90.5Very high88.4Confident119 Ų11950.9 Ų50.972%0.72128%0.283SS*.SBendtrans-97.4-38.9-174.7-175.60000111.5
123V92.9Very high88.5Confident65 Ų6549.6 Ų49.639%0.39428%0.284SS..  trans-79.2135.3-178-1720000109.9F119 F125F119-V123 WeakPolarHBondContact CB-O 3.45Å; V123-F125 HydrophobicContact CB-CE2 4.25Å; V123-F125 HydrophobicContact CB-CZ 3.91Å; V123-F125 HydrophobicContact CG1-CE1 3.74Å; V123-F125 HydrophobicContact CG1-CE2 4.15Å; V123-F125 HydrophobicContact CG1-CZ 3.49Å; V123-F125 VanDerWaalsContact CG1-CZ 3.49Å; V123-F125 WeakPolarHBondContact O-CE2 3.37Å
124K93.6Very high88.8Confident108 Ų10852.1 Ų52.147%0.4729%0.292SS..  trans-114.6142.8-176.7-62-179.7174.8-170.90111.2D113 K117 Y118 F119D113-K124 WeakPolarHBondContact OD2-CD 3.33Å; D113-K124 WeakPolarHBondContact OD2-CE 3.27Å; D113-K124 IonicContact OD2-NZ 3.12Å; D113-K124 PolarHBondContact OD2-NZ 2.8Å; K117-K124 HydrophobicContact CB-CB 4.16Å; K117-K124 HydrophobicContact CD-CB 4.27Å; Y118-K124 CarbonylContact O-C 3.58Å; Y118-K124 WeakPolarHBondContact O-CA 3.17Å; F119-K124 HydrophobicContact CB-CG 4.15Å; F119-K124 HydrophobicContact CD1-CG 4.25Å; F119-K124 HydrophobicContact CG-CG 4.32Å
125F89.4Confident89.4Confident14 Ų1448 Ų486%0.06125%0.247CC..BIsolated β-bridgetrans-128149.1-172.2-54.1-77000111K117 Y118 V123 S127 E130 L131 Y134K117-F125 CarbonylContact C-O 3.56Å; K117-F125 VanDerWaalsContact CA-O 3.25Å; K117-F125 WeakPolarHBondContact CA-O 3.31Å; K117-F125 WeakPolarHBondContact CB-O 3.25Å; Y118-F125 PolarHBondContact N-O 3.27Å; Y118-F125 WeakPolarHBondContact O-CD2 3.15Å; Y118-F125 PolarHBondContact O-N 3.29Å; V123-F125 HydrophobicContact CB-CE2 4.25Å; V123-F125 HydrophobicContact CB-CZ 3.91Å; V123-F125 HydrophobicContact CG1-CE1 3.74Å; V123-F125 HydrophobicContact CG1-CE2 4.15Å; V123-F125 HydrophobicContact CG1-CZ 3.49Å; V123-F125 VanDerWaalsContact CG1-CZ 3.49Å; V123-F125 WeakPolarHBondContact O-CE2 3.37Å; F125-S127 VanDerWaalsContact C-N 3.34Å; F125-E130 HydrophobicContact CB-CB 3.96Å; F125-E130 HydrophobicContact CD1-CB 4.03Å; F125-E130 HydrophobicContact CG-CB 4.37Å; F125-L131 HydrophobicContact CB-CB 4.08Å; F125-L131 HydrophobicContact CD2-CB 3.53Å; F125-L131 HydrophobicContact CD2-CD1 3.93Å; F125-L131 HydrophobicContact CD2-CG 3.73Å; F125-L131 HydrophobicContact CE2-CB 4.09Å; F125-L131 HydrophobicContact CE2-CD1 4.39Å; F125-L131 HydrophobicContact CE2-CG 3.95Å; F125-L131 HydrophobicContact CG-CB 3.8Å; F125-L131 HydrophobicContact CG-CG 4.5Å; F125-Y134 HydrophobicContact CE1-CD1 4.03Å; F125-Y134 HydrophobicContact CE1-CD2 4.02Å; F125-Y134 AromaticContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE2-CD1 4.49Å; F125-Y134 AromaticContact CZ-CD1 3.47Å; F125-Y134 HydrophobicContact CZ-CD1 3.47Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.47Å; F125-Y134 HydrophobicContact CZ-CD2 4.23Å; F125-Y134 HydrophobicContact CZ-CE1 4.06Å; F125-Y134 AromaticContact CZ-CG 3.55Å; F125-Y134 HydrophobicContact CZ-CG 3.55Å
126N82.3Confident90.1Very high75 Ų7547.7 Ų47.740%0.40123%0.229SC..SBendtrans-78-25.1179.3-55-57.9000111.8K26 E130K26-N126 WeakPolarHBondContact CE-O 3.42Å; K26-N126 PolarHBondContact NZ-O 3.41Å; N126-E130 PolarHBondContact N-OE2 3.43Å; N126-E130 PolarHBondContact ND2-OE1 3.27Å; N126-E130 VanDerWaalsContact ND2-OE1 3.14Å; N126-E130 PolarHBondContact ND2-OE2 3.08Å
127S83.3Confident90.7Very high7 Ų752.6 Ų52.65%0.04926%0.258CS..SBendtrans-140.5164.5178.3710000112.6E2 F125 N129 E130 L131E2-S127 WeakPolarHBondContact OE1-CB 3.42Å; E2-S127 PolarHBondContact OE1-OG 3.27Å; F125-S127 VanDerWaalsContact C-N 3.34Å; S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 WeakPolarHBondContact OG-CB 3.32Å; S127-N129 PolarHBondContact OG-N 2.83Å; S127-E130 PolarHBondContact OG-N 3.17Å; S127-L131 PolarHBondContact O-N 2.82Å
128L86.7Confident91.2Very high7 Ų751 Ų514%0.03726%0.255CS..Hα-helixtrans-62.8-28.5171.3-67.3174.5000111.5W60 I85 F95 V110 Y118 L131 V132W60-L128 HydrophobicContact CH2-CB 4.01Å; W60-L128 HydrophobicContact CZ3-CB 4.23Å; I85-L128 HydrophobicContact CD1-CB 4.45Å; I85-L128 HydrophobicContact CD1-CD2 4.45Å; I85-L128 HydrophobicContact CG2-CD1 4.27Å; F95-L128 HydrophobicContact CD1-CD1 4.39Å; F95-L128 HydrophobicContact CD2-CD1 3.89Å; F95-L128 HydrophobicContact CD2-CD2 4.25Å; F95-L128 HydrophobicContact CE1-CD1 4.49Å; F95-L128 HydrophobicContact CE2-CD1 3.99Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.3Å; V110-L128 HydrophobicContact CG1-CD2 3.76Å; Y118-L128 HydrophobicContact CD1-CD2 3.85Å; Y118-L128 HydrophobicContact CD1-CG 4.42Å; Y118-L128 HydrophobicContact CE1-CD2 4.24Å; Y118-L128 HydrophobicContact CE1-CG 4.43Å; Y118-L128 HydrophobicContact CG-CD2 4.05Å; Y118-L128 HydrophobicContact CG-CG 4.49Å; L128-L131 WeakPolarHBondContact O-CB 3.44Å; L128-L131 PolarHBondContact O-N 2.9Å; L128-V132 WeakPolarHBondContact O-CB 3.3Å; L128-V132 VanDerWaalsContact O-CG2 3.27Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.34Å
129N85.7Confident91.4Very high13 Ų1351.6 Ų51.67%0.0726%0.262CS..Hα-helixtrans-64.8-52.6177.7-65.261.8000111.5E2 H58 S127 L131 V132 D133E2-N129 VanDerWaalsContact OE2-CG 3.3Å; E2-N129 PolarHBondContact OE2-ND2 2.72Å; H58-N129 PolarHBondContact CD2-ND2 2.69Å; H58-N129 VanDerWaalsContact CD2-ND2 3.31Å; H58-N129 PolarHBondContact CE1-ND2 3.31Å; H58-N129 PolarHBondContact NE2-ND2 2.79Å; S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 WeakPolarHBondContact OG-CB 3.32Å; S127-N129 PolarHBondContact OG-N 2.83Å; N129-L131 PolarHBondContact O-N 2.85Å; N129-V132 PolarHBondContact O-N 3.28Å; N129-V132 VanDerWaalsContact O-N 3.08Å; N129-D133 WeakPolarHBondContact O-CB 3.38Å; N129-D133 PolarHBondContact O-N 2.85Å
130E87.5Confident91.4Very high81 Ų8149.9 Ų49.938%0.37925%0.254SS..Hα-helixtrans-56.6-40.5175.1-75-178.8-174.700111.4F125 N126 S127 Y134F125-E130 HydrophobicContact CB-CB 3.96Å; F125-E130 HydrophobicContact CD1-CB 4.03Å; F125-E130 HydrophobicContact CG-CB 4.37Å; N126-E130 PolarHBondContact N-OE2 3.43Å; N126-E130 PolarHBondContact ND2-OE1 3.27Å; N126-E130 VanDerWaalsContact ND2-OE1 3.14Å; N126-E130 PolarHBondContact ND2-OE2 3.08Å; S127-E130 PolarHBondContact OG-N 3.17Å; E130-Y134 VanDerWaalsContact O-CB 3.24Å; E130-Y134 WeakPolarHBondContact O-CB 3.11Å; E130-Y134 PolarHBondContact O-N 2.79Å
131L93.5Very high91.4Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-61-47.2175.5-177.7157.6000111.4L97 V110 L120 F125 S127 L128 N129 H135L97-L131 HydrophobicContact CD1-CD2 4.19Å; V110-L131 HydrophobicContact CG1-CD1 3.88Å; L120-L131 HydrophobicContact CD1-CD2 4.34Å; L120-L131 HydrophobicContact CG-CD1 4.22Å; L120-L131 HydrophobicContact CG-CD2 4.41Å; F125-L131 HydrophobicContact CB-CB 4.08Å; F125-L131 HydrophobicContact CD2-CB 3.53Å; F125-L131 HydrophobicContact CD2-CD1 3.93Å; F125-L131 HydrophobicContact CD2-CG 3.73Å; F125-L131 HydrophobicContact CE2-CB 4.09Å; F125-L131 HydrophobicContact CE2-CD1 4.39Å; F125-L131 HydrophobicContact CE2-CG 3.95Å; F125-L131 HydrophobicContact CG-CB 3.8Å; F125-L131 HydrophobicContact CG-CG 4.5Å; S127-L131 PolarHBondContact O-N 2.82Å; L128-L131 WeakPolarHBondContact O-CB 3.44Å; L128-L131 PolarHBondContact O-N 2.9Å; N129-L131 PolarHBondContact O-N 2.85Å; L131-H135 WeakPolarHBondContact O-CB 3.45Å; L131-H135 PolarHBondContact O-CD2 2.76Å; L131-H135 PolarHBondContact O-N 2.89Å; L131-H135 VanDerWaalsContact O-N 3.13Å
132V93Very high91.2Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-63.1-50.9178.9164.10000110.7W60 F83 I85 L128 N129 Y134 H135 R136 L148W60-V132 HydrophobicContact CD2-CG2 4.17Å; W60-V132 HydrophobicContact CE3-CG2 4.21Å; W60-V132 HydrophobicContact CH2-CG2 4.26Å; W60-V132 HydrophobicContact CZ2-CB 4.44Å; W60-V132 HydrophobicContact CZ2-CG2 4.19Å; W60-V132 HydrophobicContact CZ3-CG2 4.26Å; F83-V132 HydrophobicContact CE1-CG1 4.37Å; F83-V132 HydrophobicContact CE2-CG1 3.96Å; F83-V132 HydrophobicContact CE2-CG2 3.72Å; F83-V132 HydrophobicContact CZ-CB 4.45Å; F83-V132 HydrophobicContact CZ-CG1 3.45Å; F83-V132 VanDerWaalsContact CZ-CG1 3.45Å; F83-V132 HydrophobicContact CZ-CG2 4.11Å; I85-V132 HydrophobicContact CD1-CG2 3.64Å; L128-V132 WeakPolarHBondContact O-CB 3.3Å; L128-V132 VanDerWaalsContact O-CG2 3.27Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.34Å; N129-V132 PolarHBondContact O-N 3.28Å; N129-V132 VanDerWaalsContact O-N 3.08Å; V132-Y134 VanDerWaalsContact C-N 3.32Å; V132-Y134 PolarHBondContact O-N 2.92Å; V132-H135 CarbonylContact O-C 3.53Å; V132-H135 WeakPolarHBondContact O-CA 3.2Å; V132-H135 PolarHBondContact O-N 2.95Å; V132-R136 WeakPolarHBondContact O-CG 3.34Å; V132-R136 PolarHBondContact O-N 3.34Å; V132-L148 HydrophobicContact CB-CD1 4.43Å; V132-L148 HydrophobicContact CG1-CD1 4.37Å; V132-L148 HydrophobicContact CG2-CD1 4.34Å
133D90.9Very high91.2Very high91 Ų9154.7 Ų54.749%0.48727%0.273SS..Hα-helixtrans-63.9-38.6-176.1-70.2-22.8000111.8N129 H135 R136N129-D133 WeakPolarHBondContact O-CB 3.38Å; N129-D133 PolarHBondContact O-N 2.85Å; D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 3.17Å; D133-R136 WeakPolarHBondContact O-CB 3.47Å; D133-R136 PolarHBondContact O-N 2.74Å; D133-R136 IonicContact OD1-NE 3.73Å; D133-R136 PolarHBondContact OD1-NE 2.72Å
134Y94.1Very high91.1Very high85 Ų8555.4 Ų55.433%0.33327%0.272SS..Hα-helixtrans-57.9-45.8170.2178.8-95.9000111.6F125 E130 V132 R136 T137 T138F125-Y134 HydrophobicContact CE1-CD1 4.03Å; F125-Y134 HydrophobicContact CE1-CD2 4.02Å; F125-Y134 AromaticContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE2-CD1 4.49Å; F125-Y134 AromaticContact CZ-CD1 3.47Å; F125-Y134 HydrophobicContact CZ-CD1 3.47Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.47Å; F125-Y134 HydrophobicContact CZ-CD2 4.23Å; F125-Y134 HydrophobicContact CZ-CE1 4.06Å; F125-Y134 AromaticContact CZ-CG 3.55Å; F125-Y134 HydrophobicContact CZ-CG 3.55Å; E130-Y134 VanDerWaalsContact O-CB 3.24Å; E130-Y134 WeakPolarHBondContact O-CB 3.11Å; E130-Y134 PolarHBondContact O-N 2.79Å; V132-Y134 VanDerWaalsContact C-N 3.32Å; V132-Y134 PolarHBondContact O-N 2.92Å; Y134-R136 VanDerWaalsContact C-N 3.27Å; Y134-R136 PolarHBondContact O-N 2.81Å; Y134-T137 PolarHBondContact O-N 3.4Å; Y134-T137 PolarHBondContact O-OG1 3.2Å; Y134-T138 HydrophobicContact CD1-CG2 4.41Å; Y134-T138 VanDerWaalsContact CE1-CB 3.5Å; Y134-T138 HydrophobicContact CE1-CG2 3.53Å; Y134-T138 WeakPolarHBondContact O-CB 3.48Å; Y134-T138 PolarHBondContact O-N 2.96Å
135H96.4Very high91.1Very high8 Ų857.6 Ų57.64%0.03728%0.284CS..Hα-helixtrans-79.6-2.1-177-75.6-60.2000115.1L131 V132 D133 T137 T138 S139 L148L131-H135 WeakPolarHBondContact O-CB 3.45Å; L131-H135 PolarHBondContact O-CD2 2.76Å; L131-H135 PolarHBondContact O-N 2.89Å; L131-H135 VanDerWaalsContact O-N 3.13Å; V132-H135 CarbonylContact O-C 3.53Å; V132-H135 WeakPolarHBondContact O-CA 3.2Å; V132-H135 PolarHBondContact O-N 2.95Å; D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 3.17Å; H135-T137 VanDerWaalsContact C-N 3.28Å; H135-T138 CarbonylContact C-O 3.58Å; H135-T138 WeakPolarHBondContact CA-O 3.25Å; H135-T138 PolarHBondContact ND1-O 3.5Å; H135-T138 VanDerWaalsContact ND1-O 3.08Å; H135-T138 VanDerWaalsContact O-O 3.14Å; H135-S139 PolarHBondContact CE1-O 2.81Å; H135-S139 PolarHBondContact ND1-O 3.37Å; H135-L148 HydrophobicContact CB-CD1 3.46Å; H135-L148 VanDerWaalsContact CB-CD1 3.46Å; H135-L148 HydrophobicContact CB-CG 3.7Å; H135-L148 PolarHBondContact O-N 2.9Å
136R94.8Very high91.3Very high74 Ų7457.1 Ų57.128%0.27928%0.282SS..Hα-helixtrans-69.8-27.2165.4-68.2178.7-174.4-80-4.5112.5V132 D133 Y134 L148 D150V132-R136 WeakPolarHBondContact O-CG 3.34Å; V132-R136 PolarHBondContact O-N 3.34Å; D133-R136 WeakPolarHBondContact O-CB 3.47Å; D133-R136 PolarHBondContact O-N 2.74Å; D133-R136 IonicContact OD1-NE 3.73Å; D133-R136 PolarHBondContact OD1-NE 2.72Å; Y134-R136 VanDerWaalsContact C-N 3.27Å; Y134-R136 PolarHBondContact O-N 2.81Å; R136-L148 HydrophobicContact CG-CB 4.37Å; R136-D150 IonicContact CZ-OD1 3.16Å; R136-D150 IonicContact CZ-OD2 3.22Å; R136-D150 IonicContact NH1-OD1 3.64Å; R136-D150 PolarHBondContact NH1-OD1 3Å; R136-D150 IonicContact NH1-OD2 2.87Å; R136-D150 PolarHBondContact NH1-OD2 2.78Å; R136-D150 IonicContact NH2-OD1 3.82Å; R136-D150 PolarHBondContact NH2-OD1 2.83Å; R136-D150 IonicContact NH2-OD2 2.78Å; R136-D150 PolarHBondContact NH2-OD2 2.98Å; R136-D150 VanDerWaalsContact NH2-OD2 3.15Å
137T94.1Very high92Very high110 Ų11056.4 Ų56.468%0.67528%0.275SS*.Hα-helixtrans-118.2-17.4-178.559.10000113.1Y134 H135 F147Y134-T137 PolarHBondContact O-N 3.4Å; Y134-T137 PolarHBondContact O-OG1 3.2Å; H135-T137 VanDerWaalsContact C-N 3.28Å; T137-F147 VanDerWaalsContact O-CE1 3.22Å; T137-F147 WeakPolarHBondContact O-CE1 3.33Å
138T95.1Very high92.6Very high49 Ų4956.3 Ų56.330%0.30127%0.274SS..SBendtrans-116.4136.1176.8-55.20000111Y134 H135 V140Y134-T138 HydrophobicContact CD1-CG2 4.41Å; Y134-T138 VanDerWaalsContact CE1-CB 3.5Å; Y134-T138 HydrophobicContact CE1-CG2 3.53Å; Y134-T138 WeakPolarHBondContact O-CB 3.48Å; Y134-T138 PolarHBondContact O-N 2.96Å; H135-T138 CarbonylContact C-O 3.58Å; H135-T138 WeakPolarHBondContact CA-O 3.25Å; H135-T138 PolarHBondContact ND1-O 3.5Å; H135-T138 VanDerWaalsContact ND1-O 3.08Å; H135-T138 VanDerWaalsContact O-O 3.14Å; T138-V140 PolarHBondContact O-N 3.41Å
139S95.8Very high92.9Very high29 Ų2962.8 Ų62.820%0.20330%0.298CS..  trans-62.7139-173.6-165.60000113.6H135 S141 Q144 I146H135-S139 PolarHBondContact CE1-O 2.81Å; H135-S139 PolarHBondContact ND1-O 3.37Å; S139-S141 PolarHBondContact OG-N 2.79Å; S139-S141 PolarHBondContact OG-O 3.15Å; S139-Q144 PolarHBondContact OG-O 3.02Å; S139-I146 CarbonylContact C-O 3.6Å; S139-I146 WeakPolarHBondContact CA-O 3.36Å; S139-I146 PolarHBondContact OG-N 3.37Å; S139-I146 PolarHBondContact OG-O 3.06Å
140V94.6Very high93.2Very high0 Ų065.1 Ų65.10%031%0.31CS..SBendtrans-77.7-22.8175.370.70000112.6L97 V99 F108 L120 W121 T138 I146 L148L97-V140 HydrophobicContact CD2-CG2 4.08Å; V99-V140 HydrophobicContact CG1-CG1 4.32Å; F108-V140 HydrophobicContact CD2-CG2 4.16Å; F108-V140 HydrophobicContact CE2-CG1 4.19Å; F108-V140 HydrophobicContact CE2-CG2 4.3Å; F108-V140 HydrophobicContact CG-CG2 4.45Å; L120-V140 HydrophobicContact CD1-CG2 3.33Å; W121-V140 PolarHBondContact NE1-O 3.28Å; T138-V140 PolarHBondContact O-N 3.41Å; V140-I146 HydrophobicContact CG1-CB 3.76Å; V140-I146 HydrophobicContact CG1-CG2 3.74Å; V140-I146 PolarHBondContact N-O 3.2Å; V140-L148 HydrophobicContact CB-CD2 4.38Å; V140-L148 HydrophobicContact CG1-CD2 4.3Å
141S92.1Very high93.1Very high18 Ų1862 Ų6213%0.12630%0.296CS..  trans-104.5149.4179.1177.60000111.4S139 N143 Q144S139-S141 PolarHBondContact OG-N 2.79Å; S139-S141 PolarHBondContact OG-O 3.15Å; S141-N143 PolarHBondContact OG-N 3Å; S141-Q144 WeakPolarHBondContact CB-O 3.5Å; S141-Q144 PolarHBondContact OG-N 2.74Å
142R89.3Confident92.5Very high162 Ų16267 Ų6761%0.61132%0.32SS*.SBendtrans-83.9-20.4174.9-66-174.8-177.8-173.40.7113.2W121W121-R142 HydrophobicContact CD2-CG 4.39Å; W121-R142 HydrophobicContact CZ2-CG 4.46Å
143N89.3Confident90.9Very high153 Ų15372.2 Ų72.282%0.81834%0.344SS*.SBendtrans-111.8-15.2-171.2-58.4-14.6000112.6S141S141-N143 PolarHBondContact OG-N 3Å
144Q90.7Very high89Confident80 Ų8073.6 Ų73.637%0.37435%0.35SS..SBendtrans-140147.8-174.4-69.6170.9-21.800109.5F101 S139 S141 I146F101-Q144 VanDerWaalsContact CD1-OE1 3.24Å; F101-Q144 HydrophobicContact CE1-CB 4.18Å; F101-Q144 HydrophobicContact CE1-CG 3.99Å; F101-Q144 VanDerWaalsContact CE1-OE1 3.25Å; F101-Q144 HydrophobicContact CZ-CB 4.08Å; F101-Q144 HydrophobicContact CZ-CG 4.27Å; S139-Q144 PolarHBondContact OG-O 3.02Å; S141-Q144 WeakPolarHBondContact CB-O 3.5Å; S141-Q144 PolarHBondContact OG-N 2.74Å; Q144-I146 HydrophobicContact CB-CD1 4.17Å; Q144-I146 HydrophobicContact CB-CG1 4.01Å; Q144-I146 PolarHBondContact O-N 3.47Å
145Q93.8Very high86.6Confident154 Ų15472.7 Ų72.772%0.7235%0.354SS*.  trans-86.393.8177.8-168.6176.348.600110.5F147Q145-F147 HydrophobicContact CG-CD2 4.37Å; Q145-F147 HydrophobicContact CG-CE1 4.48Å; Q145-F147 HydrophobicContact CG-CE2 3.55Å; Q145-F147 HydrophobicContact CG-CZ 3.62Å
146I94.7Very high84.2Confident3 Ų380.4 Ų80.42%0.01539%0.389CS..  trans-119.6119.1179.3-47.5179.8000109V99 F101 S139 V140 Q144V99-I146 HydrophobicContact CG1-CG2 4.45Å; V99-I146 HydrophobicContact CG2-CG2 3.76Å; F101-I146 HydrophobicContact CB-CD1 3.8Å; F101-I146 HydrophobicContact CB-CG1 4.45Å; F101-I146 HydrophobicContact CD1-CD1 4.16Å; F101-I146 HydrophobicContact CD2-CB 4.45Å; F101-I146 HydrophobicContact CD2-CD1 3.74Å; F101-I146 HydrophobicContact CD2-CG1 3.5Å; F101-I146 VanDerWaalsContact CD2-CG1 3.5Å; F101-I146 HydrophobicContact CD2-CG2 4.44Å; F101-I146 HydrophobicContact CE2-CD1 4.34Å; F101-I146 HydrophobicContact CE2-CG1 3.78Å; F101-I146 HydrophobicContact CG-CD1 3.61Å; F101-I146 HydrophobicContact CG-CG1 3.94Å; F101-I146 HydrophobicContact CZ-CG1 4.46Å; S139-I146 CarbonylContact C-O 3.6Å; S139-I146 WeakPolarHBondContact CA-O 3.36Å; S139-I146 PolarHBondContact OG-N 3.37Å; S139-I146 PolarHBondContact OG-O 3.06Å; V140-I146 HydrophobicContact CG1-CB 3.76Å; V140-I146 HydrophobicContact CG1-CG2 3.74Å; V140-I146 PolarHBondContact N-O 3.2Å; Q144-I146 HydrophobicContact CB-CD1 4.17Å; Q144-I146 HydrophobicContact CB-CG1 4.01Å; Q144-I146 PolarHBondContact O-N 3.47Å
147F96.6Very high82.2Confident61 Ų6180 Ų8027%0.26839%0.391SS..  trans-108.6140.6174.2-58.4-67.5000109.9G81 T137 Q145 R149G81-F147 WeakPolarHBondContact CA-O 3.35Å; T137-F147 VanDerWaalsContact O-CE1 3.22Å; T137-F147 WeakPolarHBondContact O-CE1 3.33Å; Q145-F147 HydrophobicContact CG-CD2 4.37Å; Q145-F147 HydrophobicContact CG-CE1 4.48Å; Q145-F147 HydrophobicContact CG-CE2 3.55Å; Q145-F147 HydrophobicContact CG-CZ 3.62Å; F147-R149 PolarHBondContact O-N 2.78Å
148L96.1Very high80.4Confident4 Ų476.1 Ų76.12%0.02137%0.368CS..  trans-70.3130.1179.5-61-174.9000111.1F83 L97 V99 V132 H135 R136 V140F83-L148 HydrophobicContact CB-CD2 3.83Å; F83-L148 HydrophobicContact CD1-CB 3.62Å; F83-L148 HydrophobicContact CD1-CD1 4.47Å; F83-L148 HydrophobicContact CD1-CD2 4.05Å; F83-L148 HydrophobicContact CD1-CG 4.23Å; F83-L148 HydrophobicContact CD2-CD1 4.19Å; F83-L148 HydrophobicContact CD2-CD2 4.23Å; F83-L148 HydrophobicContact CE1-CB 3.73Å; F83-L148 HydrophobicContact CE1-CD1 4.5Å; F83-L148 HydrophobicContact CE2-CD1 4.17Å; F83-L148 HydrophobicContact CG-CB 4.18Å; F83-L148 HydrophobicContact CG-CD1 4.36Å; F83-L148 HydrophobicContact CG-CD2 3.76Å; F83-L148 HydrophobicContact CG-CG 4.3Å; F83-L148 HydrophobicContact CZ-CB 4.34Å; F83-L148 HydrophobicContact CZ-CD1 4.35Å; L97-L148 HydrophobicContact CD1-CD1 3.85Å; L97-L148 HydrophobicContact CD1-CD2 4.19Å; L97-L148 HydrophobicContact CD2-CD2 4.14Å; V99-L148 HydrophobicContact CG2-CD2 4.21Å; V132-L148 HydrophobicContact CB-CD1 4.43Å; V132-L148 HydrophobicContact CG1-CD1 4.37Å; V132-L148 HydrophobicContact CG2-CD1 4.34Å; H135-L148 HydrophobicContact CB-CD1 3.46Å; H135-L148 VanDerWaalsContact CB-CD1 3.46Å; H135-L148 HydrophobicContact CB-CG 3.7Å; H135-L148 PolarHBondContact O-N 2.9Å; R136-L148 HydrophobicContact CG-CB 4.37Å; V140-L148 HydrophobicContact CB-CD2 4.38Å; V140-L148 HydrophobicContact CG1-CD2 4.3Å
149R93.9Very high79.4Confident144 Ų14477.5 Ų77.554%0.54338%0.376SS..EExtended strand (participates in β ladder)trans-131.4134.4174.4-63.2-173.5179.3-170.20.7108.6G81 A82 F83 F147 I151G81-R149 PolarHBondContact O-N 3.14Å; A82-R149 VanDerWaalsContact CA-O 3.26Å; A82-R149 WeakPolarHBondContact CA-O 3.48Å; F83-R149 WeakPolarHBondContact CD1-O 3.44Å; F83-R149 PolarHBondContact N-O 2.82Å; F147-R149 PolarHBondContact O-N 2.78Å; R149-I151 PolarHBondContact O-N 3.38Å
150D90.4Very high79Confident61 Ų6180.1 Ų80.133%0.32638%0.382SS..EExtended strand (participates in β ladder)trans-58145.6178.6-60.5-56.3000109.9H79 R136 E152H79-D150 PolarHBondContact CE1-O 2.78Å; R136-D150 IonicContact CZ-OD1 3.16Å; R136-D150 IonicContact CZ-OD2 3.22Å; R136-D150 IonicContact NH1-OD1 3.64Å; R136-D150 PolarHBondContact NH1-OD1 3Å; R136-D150 IonicContact NH1-OD2 2.87Å; R136-D150 PolarHBondContact NH1-OD2 2.78Å; R136-D150 IonicContact NH2-OD1 3.82Å; R136-D150 PolarHBondContact NH2-OD1 2.83Å; R136-D150 IonicContact NH2-OD2 2.78Å; R136-D150 PolarHBondContact NH2-OD2 2.98Å; R136-D150 VanDerWaalsContact NH2-OD2 3.15Å; D150-E152 PolarHBondContact O-N 3.34Å
151I86.6Confident78.9Confident17 Ų1780.1 Ų80.19%0.08738%0.382CS..  trans-61139.7171.759172.4000109F62 L74 Q77 A82 F83 R149 Q153F62-I151 HydrophobicContact CE1-CD1 4.48Å; F62-I151 HydrophobicContact CE2-CD1 3.67Å; F62-I151 HydrophobicContact CZ-CD1 3.35Å; L74-I151 HydrophobicContact CD2-CG2 3.76Å; Q77-I151 HydrophobicContact CG-CB 4.48Å; Q77-I151 HydrophobicContact CG-CG2 4.24Å; A82-I151 HydrophobicContact CB-CG2 4.38Å; F83-I151 WeakPolarHBondContact O-CG2 3.19Å; R149-I151 PolarHBondContact O-N 3.38Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 HydrophobicContact CD1-CG 4.29Å; I151-Q153 HydrophobicContact CG1-CG 4.2Å; I151-Q153 PolarHBondContact O-N 2.99Å
152E80.1Confident78.9Confident104 Ų10482.5 Ų82.549%0.48639%0.391SS..  trans-65103.3159.1-69.5177.8-178.900105.7Q77 H79 D150 I154Q77-E152 PolarHBondContact NE2-O 3.49Å; H79-E152 IonicContact CD2-OE1 3.38Å; D150-E152 PolarHBondContact O-N 3.34Å; E152-I154 PolarHBondContact O-N 2.89Å
153Q60.8Low79.3Confident110 Ų11075 Ų7551%0.51436%0.363SS..  trans-63.197.3169.9-70.3-173.3100106.2I151 T155I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 HydrophobicContact CD1-CG 4.29Å; I151-Q153 HydrophobicContact CG1-CG 4.2Å; I151-Q153 PolarHBondContact O-N 2.99Å; Q153-T155 PolarHBondContact O-N 3.07Å
154I50.4Low79.4Confident119 Ų11971 Ų7161%0.6134%0.342SS*.  trans-66.781.9150.2-51.1169.4000102.7E152 Q156E152-I154 PolarHBondContact O-N 2.89Å; I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 2.96Å
155T42.9Very low79.5Confident67 Ų6772.8 Ų72.841%0.41135%0.348SS..  trans-53.4113.3168.33.10000104.2Q153 H157Q153-T155 PolarHBondContact O-N 3.07Å; T155-H157 WeakPolarHBondContact CB-CD2 3.34Å; T155-H157 WeakPolarHBondContact CB-CE1 3.47Å; T155-H157 WeakPolarHBondContact CB-NE2 3.49Å; T155-H157 WeakPolarHBondContact CG2-CE1 3.47Å; T155-H157 PolarHBondContact O-N 3.27Å; T155-H157 PolarHBondContact OG1-CD2 3.12Å; T155-H157 VanDerWaalsContact OG1-CD2 3.23Å; T155-H157 PolarHBondContact OG1-CE1 3.31Å; T155-H157 PolarHBondContact OG1-NE2 2.93Å
156Q46.2Very low79.6Confident169 Ų16969 Ų6979%0.7933%0.333SS*.  trans-68.566.2163.6-74.8-102.4-6.700105.7I154I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 2.96Å
157H53.8Low79.7Confident66 Ų6669.8 Ų69.831%0.30634%0.336SS..  trans-57.8128.6165.6-70.4-51.3000105.3T155 T159 N188T155-H157 WeakPolarHBondContact CB-CD2 3.34Å; T155-H157 WeakPolarHBondContact CB-CE1 3.47Å; T155-H157 WeakPolarHBondContact CB-NE2 3.49Å; T155-H157 WeakPolarHBondContact CG2-CE1 3.47Å; T155-H157 PolarHBondContact O-N 3.27Å; T155-H157 PolarHBondContact OG1-CD2 3.12Å; T155-H157 VanDerWaalsContact OG1-CD2 3.23Å; T155-H157 PolarHBondContact OG1-CE1 3.31Å; T155-H157 PolarHBondContact OG1-NE2 2.93Å; H157-T159 PolarHBondContact O-N 3.33Å; H157-N188 WeakPolarHBondContact CB-ND2 3.46Å; H157-N188 WeakPolarHBondContact CB-OD1 3.48Å; H157-N188 PolarHBondContact CD2-OD1 2.87Å; H157-N188 PolarHBondContact CE1-OD1 2.74Å; H157-N188 VanDerWaalsContact ND1-CG 3.3Å; H157-N188 PolarHBondContact ND1-ND2 2.78Å; H157-N188 PolarHBondContact ND1-OD1 2.94Å; H157-N188 VanDerWaalsContact ND1-OD1 3.12Å; H157-N188 PolarHBondContact NE2-OD1 2.88Å
158P55.4Low79.6Confident29 Ų2971.3 Ų71.319%0.18835%0.348CS..  trans-52.1115.5-176.420.4-31.6000107.8Y160 V161 V185 W194 P212P158-Y160 WeakPolarHBondContact CB-O 3.13Å; P158-Y160 PolarHBondContact O-N 3.3Å; P158-Y160 VanDerWaalsContact O-N 3.08Å; P158-V161 HydrophobicContact CB-CG1 4.03Å; P158-V161 HydrophobicContact CG-CG1 3.64Å; P158-V185 VanDerWaalsContact O-CB 3.31Å; P158-V185 WeakPolarHBondContact O-CB 3.25Å; P158-V185 WeakPolarHBondContact O-CG2 3.45Å; P158-W194 HydrophobicContact CG-CZ3 4.24Å; P158-P212 HydrophobicContact CB-CB 4.14Å; P158-P212 HydrophobicContact CG-CB 4.19Å; P158-P212 HydrophobicContact CG-CG 4.48Å
159T73.6Confident79.5Confident77 Ų7774.2 Ų74.247%0.47237%0.367SS..SBendtrans-58.5-26.7-179.4-470000110.2H157 Q184 V185H157-T159 PolarHBondContact O-N 3.33Å; T159-Q184 CarbonylContact O-C 3.57Å; T159-Q184 WeakPolarHBondContact O-CA 3.17Å; T159-V185 PolarHBondContact O-N 2.8Å
160Y87.3Confident79.3Confident84 Ų8475.8 Ų75.833%0.32938%0.38SS..EExtended strand (participates in β ladder)trans-133.6139.5172.1-67.4-90000111.2P158 I183 Q184 V213P158-Y160 WeakPolarHBondContact CB-O 3.13Å; P158-Y160 PolarHBondContact O-N 3.3Å; P158-Y160 VanDerWaalsContact O-N 3.08Å; Y160-I183 CarbonylContact C-O 3.51Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.49Å; Y160-Q184 HydrophobicContact CD1-CB 4.07Å; Y160-Q184 HydrophobicContact CE1-CB 3.63Å; Y160-Q184 HydrophobicContact CE1-CG 4.05Å; Y160-V213 PolarHBondContact O-N 3.37Å
161V92.3Very high79.3Confident1 Ų179.7 Ų79.71%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-119.6156.4169.5-64.80000109.3P158 F182 I183 V185 W194 F205 V210 T211P158-V161 HydrophobicContact CB-CG1 4.03Å; P158-V161 HydrophobicContact CG-CG1 3.64Å; V161-F182 WeakPolarHBondContact O-CA 3.42Å; V161-I183 HydrophobicContact CG2-CB 3.83Å; V161-I183 HydrophobicContact CG2-CD1 4.44Å; V161-I183 HydrophobicContact CG2-CG2 4.42Å; V161-I183 PolarHBondContact N-O 2.89Å; V161-I183 PolarHBondContact O-N 2.91Å; V161-V185 HydrophobicContact CB-CG2 4.39Å; V161-V185 HydrophobicContact CG1-CG2 3.69Å; V161-V185 HydrophobicContact CG2-CG2 3.92Å; V161-W194 HydrophobicContact CG1-CZ3 3.95Å; V161-F205 HydrophobicContact CG2-CE2 4.13Å; V161-F205 HydrophobicContact CG2-CZ 4.06Å; V161-V210 HydrophobicContact CB-CB 3.85Å; V161-V210 HydrophobicContact CB-CG1 4.5Å; V161-V210 HydrophobicContact CB-CG2 3.95Å; V161-V210 HydrophobicContact CG1-CG2 4.21Å; V161-V210 HydrophobicContact CG2-CB 3.73Å; V161-V210 HydrophobicContact CG2-CG1 3.86Å; V161-V210 HydrophobicContact CG2-CG2 3.82Å; V161-T211 CarbonylContact C-O 3.57Å; V161-T211 VanDerWaalsContact CA-O 3.32Å; V161-T211 WeakPolarHBondContact CA-O 3.37Å; V161-T211 WeakPolarHBondContact CB-O 3.44Å
162Q93.9Very high79.4Confident68 Ų6888.7 Ų88.732%0.31844%0.438SS..EExtended strand (participates in β ladder)trans-108.2132.2175.2-170.1175.326.400110.1L164 G180 D181 F182 V210 T211 V213Q162-L164 PolarHBondContact O-N 3.14Å; Q162-G180 WeakPolarHBondContact CG-O 3.3Å; Q162-G180 PolarHBondContact NE2-O 2.9Å; Q162-G180 VanDerWaalsContact NE2-O 3.09Å; Q162-D181 CarbonylContact C-O 3.45Å; Q162-D181 VanDerWaalsContact CA-O 3.3Å; Q162-D181 WeakPolarHBondContact CA-O 3.25Å; Q162-F182 HydrophobicContact CB-CD1 4.36Å; Q162-F182 HydrophobicContact CB-CE1 4.22Å; Q162-F182 HydrophobicContact CG-CE1 4.3Å; Q162-V210 CarbonylContact O-C 3.59Å; Q162-V210 VanDerWaalsContact O-CA 3.25Å; Q162-V210 WeakPolarHBondContact O-CA 3.37Å; Q162-T211 HydrophobicContact CB-CG2 4.15Å; Q162-T211 PolarHBondContact N-O 3.32Å; Q162-T211 PolarHBondContact O-N 2.79Å; Q162-V213 HydrophobicContact CB-CG2 3.75Å
163A95.9Very high79.9Confident3 Ų386 Ų863%0.02544%0.438CS..EExtended strand (participates in β ladder)trans-66.1125.3176.400000111.6F177 R178 G180 D181 I183A163-F177 HydrophobicContact CB-CD2 3.42Å; A163-F177 VanDerWaalsContact CB-CD2 3.42Å; A163-F177 HydrophobicContact CB-CE2 3.74Å; A163-F177 HydrophobicContact CB-CG 4.44Å; A163-R178 VanDerWaalsContact CB-O 3.24Å; A163-R178 WeakPolarHBondContact CB-O 3.22Å; A163-G180 PolarHBondContact O-N 2.83Å; A163-D181 HydrophobicContact CB-CB 4.37Å; A163-D181 PolarHBondContact N-O 2.99Å; A163-I183 HydrophobicContact CB-CD1 4.27Å
164L92.6Very high81.6Confident71 Ų7182.3 Ų82.337%0.37242%0.421SS..SBendtrans-85.4-27.6173.5-66.1176.2000112Q162 R179 Y209 T211Q162-L164 PolarHBondContact O-N 3.14Å; L164-R179 VanDerWaalsContact O-CD 3.24Å; L164-R179 WeakPolarHBondContact O-CD 3.31Å; L164-R179 VanDerWaalsContact O-CG 3.29Å; L164-R179 WeakPolarHBondContact O-CG 3.33Å; L164-Y209 PolarHBondContact N-O 3.34Å; L164-T211 HydrophobicContact CD2-CG2 3.74Å; L164-T211 HydrophobicContact CG-CG2 4.21Å
165F91.7Very high83.8Confident116 Ų11676.7 Ų76.751%0.50939%0.392SS..SBendtrans-137.1161.1-178.5-48.7-69.8000110.3F177 Y209F165-F177 WeakPolarHBondContact O-CE2 3.42Å; F165-Y209 HydrophobicContact CB-CD1 3.8Å; F165-Y209 HydrophobicContact CB-CE1 4.1Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.33Å
166D96.2Very high86.3Confident75 Ų7574.4 Ų74.440%0.40138%0.381SS..  trans-69.5146.2167.6-70.818.4000109.7R178 R179 Y209D166-R178 WeakPolarHBondContact OD2-CD 3.42Å; D166-R178 IonicContact OD2-CZ 3.48Å; D166-R178 IonicContact OD2-NE 2.77Å; D166-R178 IonicContact OD2-NH1 2.9Å; D166-R178 PolarHBondContact OD2-NH1 3.02Å; D166-R179 VanDerWaalsContact OD1-CB 3.29Å; D166-R179 WeakPolarHBondContact OD1-CB 3.42Å; D166-R179 PolarHBondContact OD1-N 3.44Å; D166-Y209 WeakPolarHBondContact O-CE1 3.23Å
167F96.4Very high88.7Confident19 Ų1966.6 Ų66.68%0.08335%0.345CS..BIsolated β-bridgetrans-137.9111.2173.9-178.2-102.8000109.1E174 L175 G176 F177 W193 P206 Y209F167-E174 HydrophobicContact CE1-CB 4.16Å; F167-L175 WeakPolarHBondContact CD1-O 3.38Å; F167-G176 WeakPolarHBondContact O-CA 3.29Å; F167-F177 HydrophobicContact CB-CD1 4.18Å; F167-F177 HydrophobicContact CB-CD2 4.09Å; F167-F177 HydrophobicContact CB-CE1 3.6Å; F167-F177 HydrophobicContact CB-CE2 3.56Å; F167-F177 HydrophobicContact CB-CG 4.39Å; F167-F177 HydrophobicContact CB-CZ 3.29Å; F167-F177 HydrophobicContact CD1-CD1 4.32Å; F167-F177 AromaticContact CD1-CE1 3.65Å; F167-F177 HydrophobicContact CD1-CE1 3.65Å; F167-F177 HydrophobicContact CD1-CZ 4.1Å; F167-F177 AromaticContact CG-CE1 3.9Å; F167-F177 HydrophobicContact CG-CE1 3.9Å; F167-F177 AromaticContact CG-CZ 3.86Å; F167-F177 HydrophobicContact CG-CZ 3.86Å; F167-F177 PolarHBondContact N-O 3.07Å; F167-F177 PolarHBondContact O-N 3.23Å; F167-F177 VanDerWaalsContact O-N 3.11Å; F167-W193 HydrophobicContact CZ-CH2 4.1Å; F167-W193 HydrophobicContact CZ-CZ3 4.23Å; F167-P206 HydrophobicContact CD2-CG 3.9Å; F167-P206 HydrophobicContact CE2-CG 3.78Å; F167-P206 HydrophobicContact CZ-CG 4.34Å; F167-Y209 HydrophobicContact CB-CD1 4.08Å; F167-Y209 HydrophobicContact CB-CE1 4.45Å; F167-Y209 HydrophobicContact CD2-CD1 4.19Å; F167-Y209 HydrophobicContact CD2-CE1 4.06Å
168D95.5Very high90.8Very high94 Ų9469.3 Ų69.350%0.50335%0.353SS..  trans-94120174.3-67-64.5000108.3Q170 R178D168-Q170 PolarHBondContact O-N 3.33Å; D168-R178 IonicContact OD1-CZ 3.27Å; D168-R178 IonicContact OD1-NH1 3.5Å; D168-R178 PolarHBondContact OD1-NH1 2.85Å; D168-R178 IonicContact OD1-NH2 3.98Å; D168-R178 PolarHBondContact OD1-NH2 2.99Å; D168-R178 IonicContact OD2-NH1 3.64Å
169P92.8Very high92.7Very high65 Ų6576.9 Ų76.942%0.42238%0.377SS..  trans-56132.1-180-30.239.3000112.6E174 G176P169-E174 WeakPolarHBondContact CA-OE2 3.28Å; P169-E174 HydrophobicContact CB-CB 3.88Å; P169-E174 HydrophobicContact CG-CB 4.49Å; P169-G176 VanDerWaalsContact CD-CA 3.48Å; P169-G176 VanDerWaalsContact CG-N 3.26Å
170Q89.8Confident93.6Very high177 Ų17774.6 Ų74.683%0.82737%0.369SS*.  trans-103.4-30.1175.9-60.4-172.75.300112D168 E174D168-Q170 PolarHBondContact O-N 3.33Å; Q170-E174 PolarHBondContact N-OE2 3.2Å
171E91.6Very high93.9Very high143 Ų14372.1 Ų72.167%0.66836%0.362SS*.SBendtrans-121.4156.6-178.4-63.2-171179.100112.9G173 E174E171-G173 PolarHBondContact O-N 3.1Å; E171-E174 HydrophobicContact CB-CG 4.27Å; E171-E174 PolarHBondContact N-OE2 2.97Å; E171-E174 WeakPolarHBondContact O-CB 3.38Å; E171-E174 PolarHBondContact O-N 2.87Å
172E89.2Confident94Very high206 Ų20677.5 Ų77.596%0.96339%0.385SS*.THydrogen-bonded Turntrans-65.9124.6175.6-168.5177.3-179.300110.2
173G90Very high94Very high47 Ų4774.3 Ų74.349%0.48537%0.37SS..THydrogen-bonded Turntrans101.2-3.1-176.600000114.6E171 G203 M204E171-G173 PolarHBondContact O-N 3.1Å; G173-G203 CarbonylContact O-C 3.43Å; G173-G203 WeakPolarHBondContact O-CA 3.47Å; G173-M204 PolarHBondContact O-N 3.27Å
174E96.1Very high93.9Very high33 Ų3378 Ų7815%0.15439%0.387CS..BIsolated β-bridgetrans-80.3146.5170.5-70.4-176.6171.500112.4F167 P169 Q170 E171 W193 M204F167-E174 HydrophobicContact CE1-CB 4.16Å; P169-E174 WeakPolarHBondContact CA-OE2 3.28Å; P169-E174 HydrophobicContact CB-CB 3.88Å; P169-E174 HydrophobicContact CG-CB 4.49Å; Q170-E174 PolarHBondContact N-OE2 3.2Å; E171-E174 HydrophobicContact CB-CG 4.27Å; E171-E174 PolarHBondContact N-OE2 2.97Å; E171-E174 WeakPolarHBondContact O-CB 3.38Å; E171-E174 PolarHBondContact O-N 2.87Å; E174-W193 HydrophobicContact CG-CH2 4.38Å; E174-W193 HydrophobicContact CG-CZ3 4.12Å; E174-W193 VanDerWaalsContact OE1-CH2 3.26Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.11Å; E174-M204 CarbonylContact C-O 3.52Å; E174-M204 VanDerWaalsContact CA-O 3.3Å; E174-M204 WeakPolarHBondContact CA-O 3.31Å
175L96.3Very high93.8Very high1 Ų175.4 Ų75.41%0.00537%0.374CS..PPolyproline II helixtrans-98116.1-179.3179.368.2000110.5F167 F177 I183 C198 Q201 M204 F205F167-L175 WeakPolarHBondContact CD1-O 3.38Å; L175-F177 HydrophobicContact CG-CD1 4.43Å; L175-F177 WeakPolarHBondContact O-CD1 3.27Å; L175-F177 WeakPolarHBondContact O-CE1 3.2Å; L175-I183 HydrophobicContact CD2-CG2 3.79Å; L175-C198 HydrophobicContact CD1-CB 4.22Å; L175-C198 HydrophobicContact CD2-CB 4.03Å; L175-C198 HydrophobicContact CG-CB 4.36Å; L175-Q201 HydrophobicContact CD1-CB 3.98Å; L175-Q201 WeakPolarHBondContact CD1-O 3.33Å; L175-M204 PolarHBondContact N-O 3.18Å; L175-F205 HydrophobicContact CD2-CD1 4.11Å
176G95.5Very high93.5Very high18 Ų1874.1 Ų74.119%0.18637%0.372CS..PPolyproline II helixtrans-81.6140.1175.100000112.9F167 P169F167-G176 WeakPolarHBondContact O-CA 3.29Å; P169-G176 VanDerWaalsContact CD-CA 3.48Å; P169-G176 VanDerWaalsContact CG-N 3.26Å
177F97Very high92.7Very high6 Ų674.1 Ų74.13%0.02637%0.372CS..BIsolated β-bridgetrans-156.3164177.253.3-91.5000111.8A163 F165 F167 L175 D181 I183 F205A163-F177 HydrophobicContact CB-CD2 3.42Å; A163-F177 VanDerWaalsContact CB-CD2 3.42Å; A163-F177 HydrophobicContact CB-CE2 3.74Å; A163-F177 HydrophobicContact CB-CG 4.44Å; F165-F177 WeakPolarHBondContact O-CE2 3.42Å; F167-F177 HydrophobicContact CB-CD1 4.18Å; F167-F177 HydrophobicContact CB-CD2 4.09Å; F167-F177 HydrophobicContact CB-CE1 3.6Å; F167-F177 HydrophobicContact CB-CE2 3.56Å; F167-F177 HydrophobicContact CB-CG 4.39Å; F167-F177 HydrophobicContact CB-CZ 3.29Å; F167-F177 HydrophobicContact CD1-CD1 4.32Å; F167-F177 AromaticContact CD1-CE1 3.65Å; F167-F177 HydrophobicContact CD1-CE1 3.65Å; F167-F177 HydrophobicContact CD1-CZ 4.1Å; F167-F177 AromaticContact CG-CE1 3.9Å; F167-F177 HydrophobicContact CG-CE1 3.9Å; F167-F177 AromaticContact CG-CZ 3.86Å; F167-F177 HydrophobicContact CG-CZ 3.86Å; F167-F177 PolarHBondContact N-O 3.07Å; F167-F177 PolarHBondContact O-N 3.23Å; F167-F177 VanDerWaalsContact O-N 3.11Å; L175-F177 HydrophobicContact CG-CD1 4.43Å; L175-F177 WeakPolarHBondContact O-CD1 3.27Å; L175-F177 WeakPolarHBondContact O-CE1 3.2Å; F177-D181 HydrophobicContact CB-CB 4.29Å; F177-I183 HydrophobicContact CB-CD1 4.25Å; F177-I183 HydrophobicContact CB-CG1 4.47Å; F177-I183 HydrophobicContact CD1-CD1 3.71Å; F177-I183 HydrophobicContact CD2-CD1 3.85Å; F177-I183 HydrophobicContact CE1-CD1 4Å; F177-I183 HydrophobicContact CE2-CD1 4.07Å; F177-I183 HydrophobicContact CG-CD1 3.65Å; F177-I183 HydrophobicContact CG-CG1 4.37Å; F177-I183 HydrophobicContact CZ-CD1 4.14Å; F177-F205 HydrophobicContact CD1-CB 4.43Å; F177-F205 HydrophobicContact CE1-CB 3.46Å; F177-F205 VanDerWaalsContact CE1-CB 3.46Å; F177-F205 HydrophobicContact CE1-CD2 4.33Å; F177-F205 HydrophobicContact CE1-CG 4.08Å; F177-F205 HydrophobicContact CZ-CB 4.09Å; F177-F205 HydrophobicContact CZ-CD2 4.42Å
178R97.4Very high92Very high123 Ų12373.9 Ų73.946%0.46437%0.372SS..  trans-108.8153.8176.6-61.9-66.6172.1-160.2-16.4110.7A163 D166 D168 G180 D181A163-R178 VanDerWaalsContact CB-O 3.24Å; A163-R178 WeakPolarHBondContact CB-O 3.22Å; D166-R178 WeakPolarHBondContact OD2-CD 3.42Å; D166-R178 IonicContact OD2-CZ 3.48Å; D166-R178 IonicContact OD2-NE 2.77Å; D166-R178 IonicContact OD2-NH1 2.9Å; D166-R178 PolarHBondContact OD2-NH1 3.02Å; D168-R178 IonicContact OD1-CZ 3.27Å; D168-R178 IonicContact OD1-NH1 3.5Å; D168-R178 PolarHBondContact OD1-NH1 2.85Å; D168-R178 IonicContact OD1-NH2 3.98Å; D168-R178 PolarHBondContact OD1-NH2 2.99Å; D168-R178 IonicContact OD2-NH1 3.64Å; R178-G180 PolarHBondContact O-N 3.45Å; R178-D181 PolarHBondContact N-OD2 2.92Å; R178-D181 WeakPolarHBondContact O-CB 3.21Å; R178-D181 PolarHBondContact O-N 2.85Å
179R95.6Very high90.9Very high187 Ų18774 Ų7471%0.70638%0.38SS*.THydrogen-bonded Turntrans-52.3129.5173.8174.2176.3175.4-170.3-1.2110.2L164 D166L164-R179 VanDerWaalsContact O-CD 3.24Å; L164-R179 WeakPolarHBondContact O-CD 3.31Å; L164-R179 VanDerWaalsContact O-CG 3.29Å; L164-R179 WeakPolarHBondContact O-CG 3.33Å; D166-R179 VanDerWaalsContact OD1-CB 3.29Å; D166-R179 WeakPolarHBondContact OD1-CB 3.42Å; D166-R179 PolarHBondContact OD1-N 3.44Å
180G91.8Very high90.3Very high29 Ų2974.1 Ų74.130%0.29938%0.377SS..THydrogen-bonded Turntrans96.5-15.1-178.700000114.2Q162 A163 R178Q162-G180 WeakPolarHBondContact CG-O 3.3Å; Q162-G180 PolarHBondContact NE2-O 2.9Å; Q162-G180 VanDerWaalsContact NE2-O 3.09Å; A163-G180 PolarHBondContact O-N 2.83Å; R178-G180 PolarHBondContact O-N 3.45Å
181D95.4Very high89.6Confident32 Ų3269.4 Ų69.417%0.17136%0.362CS..  trans-61.9143.8178.4-73.6-14.5000111.9Q162 A163 F177 R178 H199Q162-D181 CarbonylContact C-O 3.45Å; Q162-D181 VanDerWaalsContact CA-O 3.3Å; Q162-D181 WeakPolarHBondContact CA-O 3.25Å; A163-D181 HydrophobicContact CB-CB 4.37Å; A163-D181 PolarHBondContact N-O 2.99Å; F177-D181 HydrophobicContact CB-CB 4.29Å; R178-D181 PolarHBondContact N-OD2 2.92Å; R178-D181 WeakPolarHBondContact O-CB 3.21Å; R178-D181 PolarHBondContact O-N 2.85Å; D181-H199 IonicContact OD1-CE1 3.91Å; D181-H199 IonicContact OD2-CE1 3.81Å; D181-H199 PolarHBondContact OD2-CE1 2.95Å; D181-H199 IonicContact OD2-ND1 3.81Å
182F93.5Very high89.3Confident115 Ų11567.8 Ų67.850%0.50436%0.357SS..EExtended strand (participates in β ladder)trans-92.8119.6170.6-68.3-83.4000109.5V161 Q162 V213V161-F182 WeakPolarHBondContact O-CA 3.42Å; Q162-F182 HydrophobicContact CB-CD1 4.36Å; Q162-F182 HydrophobicContact CB-CE1 4.22Å; Q162-F182 HydrophobicContact CG-CE1 4.3Å; F182-V213 HydrophobicContact CD1-CG2 3.82Å; F182-V213 HydrophobicContact CE1-CB 4.5Å; F182-V213 HydrophobicContact CE1-CG1 4.06Å; F182-V213 HydrophobicContact CE1-CG2 3.66Å
183I94.7Very high89.3Confident0 Ų062.6 Ų62.60%033%0.329CS..EExtended strand (participates in β ladder)trans-108.4124.5-178.5-56.7158.4000107.5Y160 V161 A163 L175 F177 V185 C198 F205 V210Y160-I183 CarbonylContact C-O 3.51Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.49Å; V161-I183 HydrophobicContact CG2-CB 3.83Å; V161-I183 HydrophobicContact CG2-CD1 4.44Å; V161-I183 HydrophobicContact CG2-CG2 4.42Å; V161-I183 PolarHBondContact N-O 2.89Å; V161-I183 PolarHBondContact O-N 2.91Å; A163-I183 HydrophobicContact CB-CD1 4.27Å; L175-I183 HydrophobicContact CD2-CG2 3.79Å; F177-I183 HydrophobicContact CB-CD1 4.25Å; F177-I183 HydrophobicContact CB-CG1 4.47Å; F177-I183 HydrophobicContact CD1-CD1 3.71Å; F177-I183 HydrophobicContact CD2-CD1 3.85Å; F177-I183 HydrophobicContact CE1-CD1 4Å; F177-I183 HydrophobicContact CE2-CD1 4.07Å; F177-I183 HydrophobicContact CG-CD1 3.65Å; F177-I183 HydrophobicContact CG-CG1 4.37Å; F177-I183 HydrophobicContact CZ-CD1 4.14Å; I183-V185 PolarHBondContact O-N 3.37Å; I183-C198 HydrophobicContact CG1-CB 4.16Å; I183-F205 HydrophobicContact CG2-CD1 4.27Å; I183-F205 HydrophobicContact CG2-CE1 3.75Å; I183-F205 HydrophobicContact CG2-CZ 3.94Å; I183-V210 HydrophobicContact CD1-CG1 3.75Å
184Q92.3Very high89.5Confident80 Ų8061.2 Ų61.237%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-73.9123.9171.6-174.3178.4200108.9T159 Y160 L186 G196 G197T159-Q184 CarbonylContact O-C 3.57Å; T159-Q184 WeakPolarHBondContact O-CA 3.17Å; Y160-Q184 HydrophobicContact CD1-CB 4.07Å; Y160-Q184 HydrophobicContact CE1-CB 3.63Å; Y160-Q184 HydrophobicContact CE1-CG 4.05Å; Q184-L186 HydrophobicContact CG-CD2 4.33Å; Q184-G196 CarbonylContact O-C 3.54Å; Q184-G196 WeakPolarHBondContact O-CA 3.44Å; Q184-G197 PolarHBondContact N-O 2.92Å; Q184-G197 PolarHBondContact O-N 3.3Å
185V91.3Very high89.3Confident18 Ų1864.2 Ų64.211%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-82.5124.3176.2-175.50000109.1P158 T159 V161 I183 N188 W194 F205P158-V185 VanDerWaalsContact O-CB 3.31Å; P158-V185 WeakPolarHBondContact O-CB 3.25Å; P158-V185 WeakPolarHBondContact O-CG2 3.45Å; T159-V185 PolarHBondContact O-N 2.8Å; V161-V185 HydrophobicContact CB-CG2 4.39Å; V161-V185 HydrophobicContact CG1-CG2 3.69Å; V161-V185 HydrophobicContact CG2-CG2 3.92Å; I183-V185 PolarHBondContact O-N 3.37Å; V185-N188 HydrophobicContact CG1-CB 3.98Å; V185-W194 HydrophobicContact CG1-CE3 4.26Å; V185-W194 HydrophobicContact CG2-CE3 4.17Å; V185-W194 HydrophobicContact CG2-CZ3 4.39Å; V185-F205 HydrophobicContact CG2-CZ 4.41Å
186L85.9Confident89.1Confident89 Ų8964.1 Ų64.147%0.46632%0.322SS..EExtended strand (participates in β ladder)trans-103.2-35.8178.9-60.5177.4000111.9Q184 K195 T202Q184-L186 HydrophobicContact CG-CD2 4.33Å; L186-K195 HydrophobicContact CB-CG 4.48Å; L186-K195 PolarHBondContact N-O 2.77Å; L186-T202 HydrophobicContact CD1-CG2 3.89Å
187D79.5Confident89.1Confident75 Ų7564 Ų6440%0.40132%0.32SS..EExtended strand (participates in β ladder)trans-152.2139.8175.1-172.4-6.5000109.4S189 W194 K195D187-S189 VanDerWaalsContact OD1-CB 3.3Å; D187-S189 WeakPolarHBondContact OD1-CB 3.4Å; D187-S189 PolarHBondContact OD1-N 3.3Å; D187-S189 PolarHBondContact OD1-OG 2.83Å; D187-S189 PolarHBondContact OD2-OG 2.77Å; D187-W194 CarbonylContact O-C 3.39Å; D187-W194 WeakPolarHBondContact O-CA 3.19Å; D187-K195 HydrophobicContact CB-CB 3.88Å; D187-K195 PolarHBondContact N-O 3.36Å; D187-K195 VanDerWaalsContact N-O 3.07Å; D187-K195 PolarHBondContact O-N 2.81Å
188N81.6Confident88.9Confident13 Ų1364.1 Ų64.17%0.0732%0.322CS..  trans-150.433.3175.561.2-12.4000111.9H157 V185 D190 W194H157-N188 WeakPolarHBondContact CB-ND2 3.46Å; H157-N188 WeakPolarHBondContact CB-OD1 3.48Å; H157-N188 PolarHBondContact CD2-OD1 2.87Å; H157-N188 PolarHBondContact CE1-OD1 2.74Å; H157-N188 VanDerWaalsContact ND1-CG 3.3Å; H157-N188 PolarHBondContact ND1-ND2 2.78Å; H157-N188 PolarHBondContact ND1-OD1 2.94Å; H157-N188 VanDerWaalsContact ND1-OD1 3.12Å; H157-N188 PolarHBondContact NE2-OD1 2.88Å; V185-N188 HydrophobicContact CG1-CB 3.98Å; N188-D190 PolarHBondContact O-N 3.47Å; N188-W194 HydrophobicContact CB-CB 4.08Å; N188-W194 HydrophobicContact CB-CD2 3.35Å; N188-W194 HydrophobicContact CB-CE3 3.99Å; N188-W194 HydrophobicContact CB-CG 3.37Å; N188-W194 HydrophobicContact CB-CZ2 3.97Å
189S72.8Confident88.5Confident96 Ų9665.3 Ų65.367%0.67133%0.332SS*.  trans-58-31.4168.752.40000112.2D187D187-S189 VanDerWaalsContact OD1-CB 3.3Å; D187-S189 WeakPolarHBondContact OD1-CB 3.4Å; D187-S189 PolarHBondContact OD1-N 3.3Å; D187-S189 PolarHBondContact OD1-OG 2.83Å; D187-S189 PolarHBondContact OD2-OG 2.77Å
190D79.3Confident88Confident69 Ų6960.7 Ų60.737%0.36934%0.342SS..SBendtrans-83.1135.5173.7-175.8-74000111.8N188 N192 W193 W194N188-D190 PolarHBondContact O-N 3.47Å; D190-N192 VanDerWaalsContact C-N 3.27Å; D190-N192 PolarHBondContact O-N 3.19Å; D190-N192 WeakPolarHBondContact OD1-CA 3.33Å; D190-N192 PolarHBondContact OD1-N 2.85Å; D190-W193 WeakPolarHBondContact CB-O 3.41Å; D190-W193 PolarHBondContact OD1-N 3.36Å; D190-W194 PolarHBondContact O-NE1 2.84Å
191P75.1Confident88Confident78 Ų7865.1 Ų65.151%0.50636%0.355SS..SBendtrans-68.7-20.8-175.526.6-35.6000114.7R207P191-R207 WeakPolarHBondContact O-CD 3.41Å; P191-R207 PolarHBondContact O-NH1 2.69Å
192N84.3Confident88Confident108 Ų10868.1 Ų68.158%0.57838%0.375SS*.SBendtrans-115.6-35.3-171.3-62.1-43.1000112.9D190 P206 R207D190-N192 VanDerWaalsContact C-N 3.27Å; D190-N192 PolarHBondContact O-N 3.19Å; D190-N192 WeakPolarHBondContact OD1-CA 3.33Å; D190-N192 PolarHBondContact OD1-N 2.85Å; N192-P206 CarbonylContact O-C 3.58Å; N192-P206 WeakPolarHBondContact O-CA 2.94Å; N192-R207 WeakPolarHBondContact O-CB 3.3Å; N192-R207 PolarHBondContact O-N 2.83Å
193W90.8Very high88.1Confident97 Ų9762.9 Ų62.937%0.36735%0.353SS..EExtended strand (participates in β ladder)trans-124.3116-172.9-80.292.7000111.9F167 E174 D190 M204F167-W193 HydrophobicContact CZ-CH2 4.1Å; F167-W193 HydrophobicContact CZ-CZ3 4.23Å; E174-W193 HydrophobicContact CG-CH2 4.38Å; E174-W193 HydrophobicContact CG-CZ3 4.12Å; E174-W193 VanDerWaalsContact OE1-CH2 3.26Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.11Å; D190-W193 WeakPolarHBondContact CB-O 3.41Å; D190-W193 PolarHBondContact OD1-N 3.36Å; W193-M204 HydrophobicContact CB-CE 3.93Å; W193-M204 HydrophobicContact CE3-CB 3.87Å; W193-M204 HydrophobicContact CZ3-CB 4.2Å
194W92.8Very high88.2Confident19 Ų1966.1 Ų66.17%0.07237%0.369CS..EExtended strand (participates in β ladder)trans-106.2148.8-177.4-64.8-1.3000110.1P158 V161 V185 D187 N188 D190 M204 F205 R207P158-W194 HydrophobicContact CG-CZ3 4.24Å; V161-W194 HydrophobicContact CG1-CZ3 3.95Å; V185-W194 HydrophobicContact CG1-CE3 4.26Å; V185-W194 HydrophobicContact CG2-CE3 4.17Å; V185-W194 HydrophobicContact CG2-CZ3 4.39Å; D187-W194 CarbonylContact O-C 3.39Å; D187-W194 WeakPolarHBondContact O-CA 3.19Å; N188-W194 HydrophobicContact CB-CB 4.08Å; N188-W194 HydrophobicContact CB-CD2 3.35Å; N188-W194 HydrophobicContact CB-CE3 3.99Å; N188-W194 HydrophobicContact CB-CG 3.37Å; N188-W194 HydrophobicContact CB-CZ2 3.97Å; D190-W194 PolarHBondContact O-NE1 2.84Å; W194-M204 CarbonylContact O-C 3.48Å; W194-M204 VanDerWaalsContact O-CA 3.29Å; W194-M204 WeakPolarHBondContact O-CA 3.5Å; W194-F205 HydrophobicContact CB-CD1 4.42Å; W194-F205 HydrophobicContact CB-CE1 3.84Å; W194-F205 HydrophobicContact CB-CE2 4.07Å; W194-F205 HydrophobicContact CB-CZ 3.66Å; W194-F205 HydrophobicContact CE3-CE2 4.32Å; W194-F205 HydrophobicContact CE3-CZ 4.18Å; W194-F205 PolarHBondContact N-O 2.7Å; W194-F205 WeakPolarHBondContact O-CD1 3.36Å; W194-F205 PolarHBondContact O-N 2.88Å; W194-R207 HydrophobicContact CD2-CB 4.07Å; W194-R207 HydrophobicContact CD2-CG 4.03Å; W194-R207 VanDerWaalsContact CE2-CG 3.47Å; W194-R207 HydrophobicContact CE3-CG 4.45Å; W194-R207 HydrophobicContact CG-CB 4.32Å; W194-R207 HydrophobicContact CH2-CG 3.95Å; W194-R207 HydrophobicContact CZ2-CB 4.32Å; W194-R207 HydrophobicContact CZ2-CG 3.47Å; W194-R207 VanDerWaalsContact CZ2-CG 3.47Å; W194-R207 VanDerWaalsContact CZ2-NE 3.33Å; W194-R207 HydrophobicContact CZ3-CG 4.41Å
195K91.8Very high88.4Confident95 Ų9562.3 Ų62.341%0.41335%0.351SS..EExtended strand (participates in β ladder)trans-93.6132.5169.3-165.8172.9-180172.40109.3L186 D187 G203 M204L186-K195 HydrophobicContact CB-CG 4.48Å; L186-K195 PolarHBondContact N-O 2.77Å; D187-K195 HydrophobicContact CB-CB 3.88Å; D187-K195 PolarHBondContact N-O 3.36Å; D187-K195 VanDerWaalsContact N-O 3.07Å; D187-K195 PolarHBondContact O-N 2.81Å; K195-G203 WeakPolarHBondContact CA-O 3.33Å; K195-M204 HydrophobicContact CB-SD 3.7Å; K195-M204 HydrophobicContact CD-SD 4.45Å; K195-M204 HydrophobicContact CG-SD 4.03Å
196G93.9Very high88.5Confident0 Ų062 Ų620%035%0.349CS..EExtended strand (participates in β ladder)trans-146.3178.9178.200000114Q184 T202 G203Q184-G196 CarbonylContact O-C 3.54Å; Q184-G196 WeakPolarHBondContact O-CA 3.44Å; G196-T202 WeakPolarHBondContact O-CA 2.91Å; G196-G203 PolarHBondContact N-O 3.04Å; G196-G203 PolarHBondContact O-N 2.88Å
197G93.9Very high88.8Confident15 Ų1563.7 Ų63.716%0.15535%0.35CS..EExtended strand (participates in β ladder)trans-126.6130.8173.800000111.5Q184 Q201Q184-G197 PolarHBondContact N-O 2.92Å; Q184-G197 PolarHBondContact O-N 3.3Å; G197-Q201 CarbonylContact C-O 3.47Å; G197-Q201 VanDerWaalsContact CA-O 3.23Å; G197-Q201 WeakPolarHBondContact CA-O 3.47Å
198C92.6Very high89.4Confident9 Ų965.7 Ų65.76%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-146140.2174.6-164.80000108.8L175 I183 G200 Q201L175-C198 HydrophobicContact CD1-CB 4.22Å; L175-C198 HydrophobicContact CD2-CB 4.03Å; L175-C198 HydrophobicContact CG-CB 4.36Å; I183-C198 HydrophobicContact CG1-CB 4.16Å; C198-G200 PolarHBondContact O-N 2.8Å; C198-Q201 PolarHBondContact N-O 3.06Å; C198-Q201 PolarHBondContact O-N 3.25Å; C198-Q201 VanDerWaalsContact O-O 3.12Å
199H88.8Confident90Very high148 Ų14868.8 Ų68.869%0.68537%0.372SS*.THydrogen-bonded Turntrans51.533.3178.2-59124.6000115.6D181 Q201D181-H199 IonicContact OD1-CE1 3.91Å; D181-H199 IonicContact OD2-CE1 3.81Å; D181-H199 PolarHBondContact OD2-CE1 2.95Å; D181-H199 IonicContact OD2-ND1 3.81Å; H199-Q201 PolarHBondContact O-N 2.75Å
200G86.7Confident91Very high89 Ų8965 Ų6592%0.91834%0.344SS*.THydrogen-bonded Turntrans75.91.5-178.300000114.9C198C198-G200 PolarHBondContact O-N 2.8Å
201Q92.2Very high91.4Very high123 Ų12364.1 Ų64.158%0.57534%0.342SS*.EExtended strand (participates in β ladder)trans-101.7153.7172.1-63-176.6-5.500110.2L175 G197 C198 H199L175-Q201 HydrophobicContact CD1-CB 3.98Å; L175-Q201 WeakPolarHBondContact CD1-O 3.33Å; G197-Q201 CarbonylContact C-O 3.47Å; G197-Q201 VanDerWaalsContact CA-O 3.23Å; G197-Q201 WeakPolarHBondContact CA-O 3.47Å; C198-Q201 PolarHBondContact N-O 3.06Å; C198-Q201 PolarHBondContact O-N 3.25Å; C198-Q201 VanDerWaalsContact O-O 3.12Å; H199-Q201 PolarHBondContact O-N 2.75Å
202T94.1Very high91.8Very high95 Ų9563.9 Ų63.958%0.58334%0.34SS*.EExtended strand (participates in β ladder)trans-129.4141.2174.2610000110.3L186 G196L186-T202 HydrophobicContact CD1-CG2 3.89Å; G196-T202 WeakPolarHBondContact O-CA 2.91Å
203G95.8Very high91.7Very high4 Ų461.1 Ų61.14%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-177.8-175.5179.600000112.3G173 K195 G196G173-G203 CarbonylContact O-C 3.43Å; G173-G203 WeakPolarHBondContact O-CA 3.47Å; K195-G203 WeakPolarHBondContact CA-O 3.33Å; G196-G203 PolarHBondContact N-O 3.04Å; G196-G203 PolarHBondContact O-N 2.88Å
204M96.5Very high90.2Very high69 Ų6962.8 Ų62.834%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-86.3141.2179.3-60.2-59.6-71.600110.7G173 E174 L175 W193 W194 K195G173-M204 PolarHBondContact O-N 3.27Å; E174-M204 CarbonylContact C-O 3.52Å; E174-M204 VanDerWaalsContact CA-O 3.3Å; E174-M204 WeakPolarHBondContact CA-O 3.31Å; L175-M204 PolarHBondContact N-O 3.18Å; W193-M204 HydrophobicContact CB-CE 3.93Å; W193-M204 HydrophobicContact CE3-CB 3.87Å; W193-M204 HydrophobicContact CZ3-CB 4.2Å; W194-M204 CarbonylContact O-C 3.48Å; W194-M204 VanDerWaalsContact O-CA 3.29Å; W194-M204 WeakPolarHBondContact O-CA 3.5Å; K195-M204 HydrophobicContact CB-SD 3.7Å; K195-M204 HydrophobicContact CD-SD 4.45Å; K195-M204 HydrophobicContact CG-SD 4.03Å
205F95.9Very high88Confident0 Ų071.8 Ų71.80%038%0.377CS..EExtended strand (participates in β ladder)trans-144.3151.7174.766.5-83.2000111.6V161 L175 F177 I183 V185 W194 V210V161-F205 HydrophobicContact CG2-CE2 4.13Å; V161-F205 HydrophobicContact CG2-CZ 4.06Å; L175-F205 HydrophobicContact CD2-CD1 4.11Å; F177-F205 HydrophobicContact CD1-CB 4.43Å; F177-F205 HydrophobicContact CE1-CB 3.46Å; F177-F205 VanDerWaalsContact CE1-CB 3.46Å; F177-F205 HydrophobicContact CE1-CD2 4.33Å; F177-F205 HydrophobicContact CE1-CG 4.08Å; F177-F205 HydrophobicContact CZ-CB 4.09Å; F177-F205 HydrophobicContact CZ-CD2 4.42Å; I183-F205 HydrophobicContact CG2-CD1 4.27Å; I183-F205 HydrophobicContact CG2-CE1 3.75Å; I183-F205 HydrophobicContact CG2-CZ 3.94Å; V185-F205 HydrophobicContact CG2-CZ 4.41Å; W194-F205 HydrophobicContact CB-CD1 4.42Å; W194-F205 HydrophobicContact CB-CE1 3.84Å; W194-F205 HydrophobicContact CB-CE2 4.07Å; W194-F205 HydrophobicContact CB-CZ 3.66Å; W194-F205 HydrophobicContact CE3-CE2 4.32Å; W194-F205 HydrophobicContact CE3-CZ 4.18Å; W194-F205 PolarHBondContact N-O 2.7Å; W194-F205 WeakPolarHBondContact O-CD1 3.36Å; W194-F205 PolarHBondContact O-N 2.88Å; F205-V210 HydrophobicContact CD2-CG1 3.88Å; F205-V210 HydrophobicContact CE2-CB 4.35Å; F205-V210 HydrophobicContact CE2-CG1 3.65Å; F205-V210 HydrophobicContact CE2-CG2 3.78Å
206P94.2Very high85.4Confident10 Ų1074.4 Ų74.47%0.06540%0.396CS..EExtended strand (participates in β ladder)trans-75.6129.6-178.230.4-36.5000111.7F167 N192 N208 Y209F167-P206 HydrophobicContact CD2-CG 3.9Å; F167-P206 HydrophobicContact CE2-CG 3.78Å; F167-P206 HydrophobicContact CZ-CG 4.34Å; N192-P206 CarbonylContact O-C 3.58Å; N192-P206 WeakPolarHBondContact O-CA 2.94Å; P206-N208 VanDerWaalsContact C-N 3.25Å; P206-N208 WeakPolarHBondContact CB-OD1 3.45Å; P206-N208 PolarHBondContact O-N 2.85Å; P206-Y209 HydrophobicContact CB-CD2 3.93Å; P206-Y209 HydrophobicContact CB-CE2 4.41Å; P206-Y209 HydrophobicContact CG-CD1 4.42Å; P206-Y209 HydrophobicContact CG-CD2 3.39Å; P206-Y209 HydrophobicContact CG-CE2 3.89Å; P206-Y209 HydrophobicContact CG-CG 3.72Å; P206-Y209 WeakPolarHBondContact O-CB 2.88Å; P206-Y209 PolarHBondContact O-N 3.06Å; P206-Y209 VanDerWaalsContact O-N 3.09Å
207R91.9Very high82.4Confident125 Ų12587 Ų8747%0.47246%0.458SS..G310 helixtrans-56.6-35.7-178176.6-172.5177.3-167.1-0.7113.2P191 N192 W194 Y209 V210P191-R207 WeakPolarHBondContact O-CD 3.41Å; P191-R207 PolarHBondContact O-NH1 2.69Å; N192-R207 WeakPolarHBondContact O-CB 3.3Å; N192-R207 PolarHBondContact O-N 2.83Å; W194-R207 HydrophobicContact CD2-CB 4.07Å; W194-R207 HydrophobicContact CD2-CG 4.03Å; W194-R207 VanDerWaalsContact CE2-CG 3.47Å; W194-R207 HydrophobicContact CE3-CG 4.45Å; W194-R207 HydrophobicContact CG-CB 4.32Å; W194-R207 HydrophobicContact CH2-CG 3.95Å; W194-R207 HydrophobicContact CZ2-CB 4.32Å; W194-R207 HydrophobicContact CZ2-CG 3.47Å; W194-R207 VanDerWaalsContact CZ2-CG 3.47Å; W194-R207 VanDerWaalsContact CZ2-NE 3.33Å; W194-R207 HydrophobicContact CZ3-CG 4.41Å; R207-Y209 PolarHBondContact O-N 3.38Å; R207-V210 WeakPolarHBondContact O-CG2 3.19Å; R207-V210 PolarHBondContact O-N 3.3Å
208N92.1Very high81.8Confident118 Ų11890.6 Ų90.663%0.63147%0.473SS*.G310 helixtrans-72.4-5.5-177.962.4-31.7000113.7P206 V210P206-N208 VanDerWaalsContact C-N 3.25Å; P206-N208 WeakPolarHBondContact CB-OD1 3.45Å; P206-N208 PolarHBondContact O-N 2.85Å; N208-V210 VanDerWaalsContact C-N 3.34Å
209Y93.9Very high81.2Confident78 Ų7894.9 Ų94.931%0.30649%0.494SS..G310 helixtrans-90.1-1.2176-81.1-121.7000113L164 F165 D166 F167 P206 R207L164-Y209 PolarHBondContact N-O 3.34Å; F165-Y209 HydrophobicContact CB-CD1 3.8Å; F165-Y209 HydrophobicContact CB-CE1 4.1Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.33Å; D166-Y209 WeakPolarHBondContact O-CE1 3.23Å; F167-Y209 HydrophobicContact CB-CD1 4.08Å; F167-Y209 HydrophobicContact CB-CE1 4.45Å; F167-Y209 HydrophobicContact CD2-CD1 4.19Å; F167-Y209 HydrophobicContact CD2-CE1 4.06Å; P206-Y209 HydrophobicContact CB-CD2 3.93Å; P206-Y209 HydrophobicContact CB-CE2 4.41Å; P206-Y209 HydrophobicContact CG-CD1 4.42Å; P206-Y209 HydrophobicContact CG-CD2 3.39Å; P206-Y209 HydrophobicContact CG-CE2 3.89Å; P206-Y209 HydrophobicContact CG-CG 3.72Å; P206-Y209 WeakPolarHBondContact O-CB 2.88Å; P206-Y209 PolarHBondContact O-N 3.06Å; P206-Y209 VanDerWaalsContact O-N 3.09Å; R207-Y209 PolarHBondContact O-N 3.38Å
210V93.5Very high80.8Confident15 Ų1591.9 Ų91.99%0.09148%0.484CS..EExtended strand (participates in β ladder)trans-133.6158.1-172.8-58.60000112.1V161 Q162 I183 F205 R207 N208V161-V210 HydrophobicContact CB-CB 3.85Å; V161-V210 HydrophobicContact CB-CG1 4.5Å; V161-V210 HydrophobicContact CB-CG2 3.95Å; V161-V210 HydrophobicContact CG1-CG2 4.21Å; V161-V210 HydrophobicContact CG2-CB 3.73Å; V161-V210 HydrophobicContact CG2-CG1 3.86Å; V161-V210 HydrophobicContact CG2-CG2 3.82Å; Q162-V210 CarbonylContact O-C 3.59Å; Q162-V210 VanDerWaalsContact O-CA 3.25Å; Q162-V210 WeakPolarHBondContact O-CA 3.37Å; I183-V210 HydrophobicContact CD1-CG1 3.75Å; F205-V210 HydrophobicContact CD2-CG1 3.88Å; F205-V210 HydrophobicContact CE2-CB 4.35Å; F205-V210 HydrophobicContact CE2-CG1 3.65Å; F205-V210 HydrophobicContact CE2-CG2 3.78Å; R207-V210 WeakPolarHBondContact O-CG2 3.19Å; R207-V210 PolarHBondContact O-N 3.3Å; N208-V210 VanDerWaalsContact C-N 3.34Å
211T88.1Confident80.5Confident52 Ų5292.1 Ų92.132%0.31946%0.458SS..EExtended strand (participates in β ladder)trans-121.9143.3172-172.70000110.7V161 Q162 L164 V213V161-T211 CarbonylContact C-O 3.57Å; V161-T211 VanDerWaalsContact CA-O 3.32Å; V161-T211 WeakPolarHBondContact CA-O 3.37Å; V161-T211 WeakPolarHBondContact CB-O 3.44Å; Q162-T211 HydrophobicContact CB-CG2 4.15Å; Q162-T211 PolarHBondContact N-O 3.32Å; Q162-T211 PolarHBondContact O-N 2.79Å; L164-T211 HydrophobicContact CD2-CG2 3.74Å; L164-T211 HydrophobicContact CG-CG2 4.21Å; T211-V213 PolarHBondContact O-N 3.22Å
212P84.5Confident79.7Confident73 Ų7390.2 Ų90.247%0.47445%0.451SS..EExtended strand (participates in β ladder)trans-57.9136.5173.4-23.133.8000112.1P158P158-P212 HydrophobicContact CB-CB 4.14Å; P158-P212 HydrophobicContact CG-CB 4.19Å; P158-P212 HydrophobicContact CG-CG 4.48Å
213V82.1Confident78.8Confident49 Ų4989.9 Ų89.930%0.29744%0.442SS..  trans-94.6104.3171.1-178.60000108.1Y160 Q162 F182 T211 R215Y160-V213 PolarHBondContact O-N 3.37Å; Q162-V213 HydrophobicContact CB-CG2 3.75Å; F182-V213 HydrophobicContact CD1-CG2 3.82Å; F182-V213 HydrophobicContact CE1-CB 4.5Å; F182-V213 HydrophobicContact CE1-CG1 4.06Å; F182-V213 HydrophobicContact CE1-CG2 3.66Å; T211-V213 PolarHBondContact O-N 3.22Å; V213-R215 PolarHBondContact O-N 3.31Å
214N58.4Low77.5Confident132 Ų13296 Ų9671%0.70647%0.471SS*.  trans-70.4114.6171.9-69.7-26.8000108.5N216N214-N216 PolarHBondContact O-N 3Å
215R47.5Very low76.1Confident209 Ų20998.1 Ų98.179%0.78948%0.481SS*.  trans-68.784166.5-80.4-172.5176.7-177.8-0.1109V213V213-R215 PolarHBondContact O-N 3.31Å
216N36.7Very low74.4Confident150 Ų150106.3 Ų106.380%0.80252%0.521SS*.  trans-101.690.2154.7-75.4-13.7000107.2N214N214-N216 PolarHBondContact O-N 3Å
217M30.1Very low72.6Confident264 Ų264115 Ų115100%1.356%0.562SS**  trans-136.20153.6-77.6-168.8-171.600107.8

Retrieved 217 of 217 residues in 191.8 ms (Link to these results)

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