A0A077ZLC8_TRITR Loading...

Heat shock protein ssb1

AlphaFold DB , UniProt , Accession A0A077ZLC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1M93.6Very high94.9Very high71 Ų7126.3 Ų26.335%0.3514%0.137SC..  0145.90173.7-179.4-84.700108.9I3 L91 D97M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 4.48Å; M1-I3 HydrophobicContact SD-CG1 4.45Å; M1-L91 HydrophobicContact CE-CD1 4.36Å; M1-L91 HydrophobicContact CE-CD2 4.26Å; M1-L91 HydrophobicContact SD-CD1 3.6Å; M1-L91 VanDerWaalsContact SD-CD1 3.6Å; M1-D97 PolarHBondContact O-N 3.16Å
2K96.6Very high95.1Very high104 Ų10424.1 Ų24.145%0.45213%0.126SC..EExtended strand (participates in β ladder)trans-96.5134.1172.9-71.9-179.3-179.3171.50110.1F4 D97 I99 K320K2-F4 HydrophobicContact CB-CE2 4.27Å; K2-F4 HydrophobicContact CB-CZ 4.4Å; K2-F4 HydrophobicContact CD-CZ 4.45Å; K2-D97 CarbonylContact C-O 3.59Å; K2-D97 VanDerWaalsContact CA-O 3.28Å; K2-D97 WeakPolarHBondContact CA-O 3.44Å; K2-D97 HydrophobicContact CG-CB 4.34Å; K2-I99 HydrophobicContact CB-CD1 4.16Å; K2-I99 HydrophobicContact CD-CD1 4.44Å; K2-I99 HydrophobicContact CG-CD1 4.35Å; K2-K320 PolarHBondContact NZ-O 2.94Å
3I98.2Very high95.3Very high0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-127.1130.3175.1-55.6-179.9000108.6M1 I5 L14 W16 L86 L91 V96 D97 V98 I99M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 4.48Å; M1-I3 HydrophobicContact SD-CG1 4.45Å; I3-I5 HydrophobicContact CG2-CD1 4.25Å; I3-I5 HydrophobicContact CG2-CG1 3.95Å; I3-L14 HydrophobicContact CG2-CB 4.5Å; I3-L14 HydrophobicContact CG2-CD2 4.31Å; I3-W16 HydrophobicContact CG1-CB 4.19Å; I3-L86 HydrophobicContact CD1-CD2 3.42Å; I3-L86 VanDerWaalsContact CD1-CD2 3.42Å; I3-L86 HydrophobicContact CG2-CD2 4.06Å; I3-L91 HydrophobicContact CD1-CD1 4.46Å; I3-V96 HydrophobicContact CD1-CB 4.2Å; I3-V96 HydrophobicContact CD1-CG1 3.81Å; I3-V96 HydrophobicContact CG1-CG1 4.49Å; I3-D97 PolarHBondContact N-O 3.18Å; I3-V98 CarbonylContact O-C 3.54Å; I3-V98 WeakPolarHBondContact O-CA 3.44Å; I3-I99 PolarHBondContact O-N 3Å
4F98.4Very high95.5Very high3 Ų322.1 Ų22.11%0.01311%0.114CC..EExtended strand (participates in β ladder)trans-99.9128.3-179.9-59.3-85.6000108.5K2 L14 A15 I99 V313 M316 I317 K320K2-F4 HydrophobicContact CB-CE2 4.27Å; K2-F4 HydrophobicContact CB-CZ 4.4Å; K2-F4 HydrophobicContact CD-CZ 4.45Å; F4-L14 CarbonylContact O-C 3.6Å; F4-L14 VanDerWaalsContact O-CA 3.29Å; F4-L14 WeakPolarHBondContact O-CA 3.35Å; F4-A15 WeakPolarHBondContact CD2-O 3.45Å; F4-A15 PolarHBondContact N-O 3.28Å; F4-A15 PolarHBondContact O-N 3.09Å; F4-I99 HydrophobicContact CD1-CB 3.71Å; F4-I99 HydrophobicContact CD1-CD1 3.87Å; F4-I99 HydrophobicContact CD1-CG1 3.93Å; F4-I99 HydrophobicContact CD1-CG2 4.17Å; F4-I99 HydrophobicContact CE1-CB 4.06Å; F4-I99 HydrophobicContact CE1-CD1 3.57Å; F4-I99 HydrophobicContact CE1-CG1 3.74Å; F4-I99 HydrophobicContact CE1-CG2 4.5Å; F4-I99 HydrophobicContact CZ-CD1 4.03Å; F4-V313 HydrophobicContact CB-CB 4.45Å; F4-M316 HydrophobicContact CB-CB 4.29Å; F4-M316 HydrophobicContact CB-CE 4.24Å; F4-M316 HydrophobicContact CD1-CB 3.63Å; F4-M316 HydrophobicContact CE1-CB 4.4Å; F4-M316 WeakPolarHBondContact CE1-O 3.39Å; F4-M316 HydrophobicContact CG-CB 4.27Å; F4-I317 HydrophobicContact CB-CG1 4.29Å; F4-I317 HydrophobicContact CD1-CG1 4.4Å; F4-I317 HydrophobicContact CD2-CB 4.34Å; F4-I317 HydrophobicContact CD2-CD1 3.95Å; F4-I317 HydrophobicContact CD2-CG1 3.15Å; F4-I317 HydrophobicContact CE2-CB 4.33Å; F4-I317 HydrophobicContact CE2-CD1 4.42Å; F4-I317 HydrophobicContact CE2-CG1 3.44Å; F4-I317 VanDerWaalsContact CE2-CG1 3.44Å; F4-I317 HydrophobicContact CG-CG1 3.68Å; F4-I317 HydrophobicContact CZ-CG1 4.19Å; F4-K320 HydrophobicContact CE1-CB 3.73Å; F4-K320 HydrophobicContact CZ-CB 4.3Å
5I98.4Very high95.7Very high0 Ų020.6 Ų20.60%011%0.106CC..EExtended strand (participates in β ladder)trans-132.9111.1-166.5-49.3-168.2000108I3 D7 I12 K13 L14 I82 L86 V98 I99 V100I3-I5 HydrophobicContact CG2-CD1 4.25Å; I3-I5 HydrophobicContact CG2-CG1 3.95Å; I5-D7 HydrophobicContact CG2-CB 3.8Å; I5-D7 PolarHBondContact O-N 2.67Å; I5-I12 HydrophobicContact CG2-CG2 3.63Å; I5-K13 WeakPolarHBondContact CA-O 3.35Å; I5-L14 HydrophobicContact CB-CD2 4.07Å; I5-L14 HydrophobicContact CD1-CD2 3.93Å; I5-L14 HydrophobicContact CG1-CD2 3.64Å; I5-L14 HydrophobicContact CG2-CD2 3.75Å; I5-I82 HydrophobicContact CD1-CG2 3.94Å; I5-I82 HydrophobicContact CG2-CG1 4.48Å; I5-L86 HydrophobicContact CD1-CD2 4.5Å; I5-V98 HydrophobicContact CD1-CB 3.95Å; I5-V98 HydrophobicContact CD1-CG1 3.78Å; I5-I99 PolarHBondContact N-O 2.63Å; I5-V100 HydrophobicContact CB-CG1 4.15Å; I5-V100 HydrophobicContact CD1-CG1 4.45Å; I5-V100 WeakPolarHBondContact O-CA 3.32Å
6D96.9Very high95.8Very high16 Ų1620 Ų209%0.08610%0.102CC..EExtended strand (participates in β ladder)trans-82.197.2156.6164.928.7000106.2G8 I12 K13 L312 V313D6-G8 PolarHBondContact O-N 3.32Å; D6-G8 PolarHBondContact OD1-N 3.47Å; D6-I12 CarbonylContact O-C 3.52Å; D6-I12 VanDerWaalsContact O-CA 3.25Å; D6-I12 WeakPolarHBondContact O-CA 3.5Å; D6-K13 HydrophobicContact CB-CB 4.37Å; D6-K13 HydrophobicContact CB-CD 4.24Å; D6-K13 PolarHBondContact N-O 2.73Å; D6-K13 PolarHBondContact O-N 3.32Å; D6-K13 WeakPolarHBondContact OD2-CD 3.31Å; D6-K13 IonicContact OD2-NZ 3.44Å; D6-K13 PolarHBondContact OD2-NZ 2.92Å; D6-L312 HydrophobicContact CB-CD2 3.91Å; D6-L312 HydrophobicContact CB-CG 4.28Å; D6-V313 HydrophobicContact CB-CG1 3.85Å; D6-V313 VanDerWaalsContact N-CG1 3.34Å
7D94.9Very high95.8Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-91.352.3-179.561.5-46.1000112.4I5 I12 Y72 Q73 N78 I82 T101 K122I5-D7 HydrophobicContact CG2-CB 3.8Å; I5-D7 PolarHBondContact O-N 2.67Å; D7-I12 HydrophobicContact CB-CD1 4.13Å; D7-I12 HydrophobicContact CB-CG1 4.32Å; D7-Y72 WeakPolarHBondContact O-CE1 3.47Å; D7-Q73 PolarHBondContact O-NE2 3.05Å; D7-Q73 PolarHBondContact OD2-OE1 2.88Å; D7-N78 PolarHBondContact OD2-ND2 3.45Å; D7-I82 HydrophobicContact CB-CD1 4.2Å; D7-I82 HydrophobicContact CB-CG1 4.04Å; D7-T101 PolarHBondContact OD1-N 2.92Å; D7-T101 VanDerWaalsContact OD1-N 3.1Å; D7-T101 PolarHBondContact OD1-OG1 2.69Å; D7-K122 VanDerWaalsContact OD2-CE 3.28Å; D7-K122 WeakPolarHBondContact OD2-CE 3.48Å; D7-K122 IonicContact OD2-NZ 3.39Å; D7-K122 PolarHBondContact OD2-NZ 3.31Å
8G92.1Very high95.6Very high10 Ų1024.7 Ų24.710%0.10313%0.125CC..  trans-61.6152.6174.900000113.9D6 T10 N11 N29D6-G8 PolarHBondContact O-N 3.32Å; D6-G8 PolarHBondContact OD1-N 3.47Å; G8-T10 VanDerWaalsContact C-N 3.33Å; G8-T10 PolarHBondContact O-N 2.94Å; G8-N11 CarbonylContact O-C 3.44Å; G8-N29 PolarHBondContact O-ND2 3.39Å
9S90.3Very high95.3Very high14 Ų1431.9 Ų31.910%0.09816%0.164CC..SBendtrans-61-31.7-175.955.80000115N29 T67 T174S9-N29 WeakPolarHBondContact O-CB 3.44Å; S9-N29 PolarHBondContact O-ND2 3.32Å; S9-T67 WeakPolarHBondContact CB-O 3.31Å; S9-T67 VanDerWaalsContact O-CB 3.27Å; S9-T67 WeakPolarHBondContact O-CB 3.44Å; S9-T67 PolarHBondContact O-OG1 3.3Å; S9-T174 VanDerWaalsContact OG-CG2 3.24Å; S9-T174 WeakPolarHBondContact OG-CG2 3.31Å; S9-T174 PolarHBondContact OG-OG1 3.49Å
10T91.1Very high94.9Very high32 Ų3233.8 Ų33.820%0.19619%0.191CC..SBendtrans-90.3-46.6-179.6-54.50000112.3G8 N29 G173G8-T10 VanDerWaalsContact C-N 3.33Å; G8-T10 PolarHBondContact O-N 2.94Å; T10-N29 PolarHBondContact O-N 3.34Å; T10-G173 WeakPolarHBondContact OG1-CA 3.19Å
11N93.6Very high94.9Very high39 Ų3936.8 Ų36.821%0.20921%0.207CC..EExtended strand (participates in β ladder)trans-143.8136.5-178.8-65.5-63.6000108.5G8 K13 I26 S27 P28G8-N11 CarbonylContact O-C 3.44Å; N11-K13 WeakPolarHBondContact O-CE 3.32Å; N11-K13 PolarHBondContact O-NZ 3.29Å; N11-I26 HydrophobicContact CB-CD1 3.9Å; N11-I26 HydrophobicContact CB-CG1 3.88Å; N11-S27 CarbonylContact C-O 3.57Å; N11-S27 WeakPolarHBondContact CA-O 2.97Å; N11-P28 WeakPolarHBondContact OD1-CA 3.28Å; N11-P28 WeakPolarHBondContact OD1-CB 3.49Å
12I96.7Very high95Very high0 Ų036.5 Ų36.50%021%0.209CC..EExtended strand (participates in β ladder)trans-84.8134.3165-60.7-166000108.8I5 D6 D7 L14 I26 S27 A81 I82 A85I5-I12 HydrophobicContact CG2-CG2 3.63Å; D6-I12 CarbonylContact O-C 3.52Å; D6-I12 VanDerWaalsContact O-CA 3.25Å; D6-I12 WeakPolarHBondContact O-CA 3.5Å; D7-I12 HydrophobicContact CB-CD1 4.13Å; D7-I12 HydrophobicContact CB-CG1 4.32Å; I12-L14 HydrophobicContact CG2-CD2 3.8Å; I12-L14 HydrophobicContact CG2-CG 4.43Å; I12-I26 CarbonylContact O-C 3.58Å; I12-I26 WeakPolarHBondContact O-CA 3.49Å; I12-S27 PolarHBondContact N-O 3.47Å; I12-S27 PolarHBondContact O-N 2.95Å; I12-A81 HydrophobicContact CD1-CB 3.54Å; I12-A81 HydrophobicContact CG1-CB 4.42Å; I12-I82 HydrophobicContact CD1-CB 4.44Å; I12-I82 HydrophobicContact CD1-CG1 3.85Å; I12-A85 HydrophobicContact CB-CB 4.18Å; I12-A85 HydrophobicContact CG2-CB 3.82Å
13K98.1Very high95Very high20 Ų2034.9 Ų34.99%0.08720%0.202CC..EExtended strand (participates in β ladder)trans-115.2134.5168.7-57.692.4-165.8168.50109.2I5 D6 N11 L25 I26 Q309 F310 V313I5-K13 WeakPolarHBondContact CA-O 3.35Å; D6-K13 HydrophobicContact CB-CB 4.37Å; D6-K13 HydrophobicContact CB-CD 4.24Å; D6-K13 PolarHBondContact N-O 2.73Å; D6-K13 PolarHBondContact O-N 3.32Å; D6-K13 WeakPolarHBondContact OD2-CD 3.31Å; D6-K13 IonicContact OD2-NZ 3.44Å; D6-K13 PolarHBondContact OD2-NZ 2.92Å; N11-K13 WeakPolarHBondContact O-CE 3.32Å; N11-K13 PolarHBondContact O-NZ 3.29Å; K13-L25 CarbonylContact C-O 3.55Å; K13-L25 VanDerWaalsContact CA-O 3.3Å; K13-L25 WeakPolarHBondContact CA-O 3.43Å; K13-I26 HydrophobicContact CG-CB 4.45Å; K13-I26 HydrophobicContact CG-CD1 4.27Å; K13-I26 HydrophobicContact CG-CG1 4.15Å; K13-Q309 WeakPolarHBondContact CD-O 3.31Å; K13-F310 HydrophobicContact CB-CD1 3.79Å; K13-F310 HydrophobicContact CB-CE1 3.82Å; K13-F310 HydrophobicContact CG-CD1 3.95Å; K13-F310 HydrophobicContact CG-CE1 3.82Å; K13-V313 HydrophobicContact CB-CG1 4.36Å; K13-V313 HydrophobicContact CB-CG2 4.45Å; K13-V313 WeakPolarHBondContact O-CG1 3.3Å
14L98.5Very high95Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-109.3148.4176.2-54.3-175.9000109.6I3 F4 I5 I12 W16 T24 L25 A85 L86 T89I3-L14 HydrophobicContact CG2-CB 4.5Å; I3-L14 HydrophobicContact CG2-CD2 4.31Å; F4-L14 CarbonylContact O-C 3.6Å; F4-L14 VanDerWaalsContact O-CA 3.29Å; F4-L14 WeakPolarHBondContact O-CA 3.35Å; I5-L14 HydrophobicContact CB-CD2 4.07Å; I5-L14 HydrophobicContact CD1-CD2 3.93Å; I5-L14 HydrophobicContact CG1-CD2 3.64Å; I5-L14 HydrophobicContact CG2-CD2 3.75Å; I12-L14 HydrophobicContact CG2-CD2 3.8Å; I12-L14 HydrophobicContact CG2-CG 4.43Å; L14-W16 HydrophobicContact CB-CE3 4.17Å; L14-W16 HydrophobicContact CB-CZ3 4.01Å; L14-T24 VanDerWaalsContact O-CA 3.25Å; L14-T24 WeakPolarHBondContact O-CA 3.41Å; L14-L25 HydrophobicContact CB-CB 4.28Å; L14-L25 HydrophobicContact CD1-CD2 4.18Å; L14-L25 HydrophobicContact CG-CD2 4.47Å; L14-L25 PolarHBondContact N-O 2.89Å; L14-L25 PolarHBondContact O-N 3.19Å; L14-A85 HydrophobicContact CD1-CB 3.89Å; L14-A85 WeakPolarHBondContact CD1-O 3.2Å; L14-A85 HydrophobicContact CD2-CB 4.23Å; L14-A85 HydrophobicContact CG-CB 4.17Å; L14-L86 HydrophobicContact CD1-CD2 4.36Å; L14-T89 HydrophobicContact CD1-CG2 3.54Å
15A98.1Very high95Very high0 Ų039.2 Ų39.20%023%0.228CC..EExtended strand (participates in β ladder)trans-141.5144.315800000110.9F4 V22 K23 T24 V313 M314 I317F4-A15 WeakPolarHBondContact CD2-O 3.45Å; F4-A15 PolarHBondContact N-O 3.28Å; F4-A15 PolarHBondContact O-N 3.09Å; A15-V22 HydrophobicContact CB-CG1 4.41Å; A15-K23 WeakPolarHBondContact CA-O 3.47Å; A15-T24 HydrophobicContact CB-CG2 4.11Å; A15-V313 HydrophobicContact CB-CB 3.77Å; A15-V313 HydrophobicContact CB-CG2 3.79Å; A15-M314 HydrophobicContact CB-CE 3.31Å; A15-I317 HydrophobicContact CB-CD1 3.36Å; A15-I317 HydrophobicContact CB-CG1 4.28Å
16W97.3Very high94.9Very high11 Ų1142.5 Ų42.54%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-150.2163.6175.466.999.1000110.3I3 L14 V22 K23 L25 T89I3-W16 HydrophobicContact CG1-CB 4.19Å; L14-W16 HydrophobicContact CB-CE3 4.17Å; L14-W16 HydrophobicContact CB-CZ3 4.01Å; W16-V22 WeakPolarHBondContact O-CA 3.5Å; W16-K23 HydrophobicContact CD2-CB 3.91Å; W16-K23 VanDerWaalsContact CE2-CB 3.47Å; W16-K23 HydrophobicContact CE3-CB 4.29Å; W16-K23 HydrophobicContact CH2-CB 3.9Å; W16-K23 HydrophobicContact CZ2-CB 3.49Å; W16-K23 VanDerWaalsContact CZ2-CB 3.49Å; W16-K23 HydrophobicContact CZ2-CG 4.14Å; W16-K23 HydrophobicContact CZ3-CB 4.28Å; W16-K23 PolarHBondContact N-O 3.02Å; W16-K23 VanDerWaalsContact N-O 3.08Å; W16-K23 PolarHBondContact O-N 3.2Å; W16-L25 HydrophobicContact CH2-CB 4.2Å; W16-L25 HydrophobicContact CZ3-CB 3.98Å; W16-T89 HydrophobicContact CE3-CG2 4.39Å; W16-T89 HydrophobicContact CH2-CG2 3.82Å; W16-T89 HydrophobicContact CZ2-CG2 4.32Å; W16-T89 HydrophobicContact CZ3-CG2 3.86Å
17L95.2Very high94.9Very high60 Ų6041.8 Ų41.831%0.31424%0.241SC..EExtended strand (participates in β ladder)trans-94.4128.9172.5-68.7169.9000109.3D21 V22 V323L17-D21 WeakPolarHBondContact CA-O 3.3Å; L17-V22 HydrophobicContact CD2-CG2 3.62Å; L17-V323 HydrophobicContact CD1-CG2 3.89Å; L17-V323 HydrophobicContact CD2-CG2 4.33Å
18E92.2Very high94.8Very high65 Ų6542.9 Ų42.930%0.30425%0.248SC..EExtended strand (participates in β ladder)trans-137.1119.5174.7-176.9174-112.500108.1G20 D21 K23 L91E18-G20 PolarHBondContact O-N 2.93Å; E18-G20 VanDerWaalsContact O-N 3.09Å; E18-D21 PolarHBondContact N-O 3.24Å; E18-D21 PolarHBondContact O-N 3.18Å; E18-K23 HydrophobicContact CB-CG 3.9Å; E18-K23 WeakPolarHBondContact OE2-CE 3.47Å; E18-L91 WeakPolarHBondContact OE1-CD2 3.48Å
19D90.4Very high94.8Very high161 Ų16143.4 Ų43.486%0.86125%0.248SC*.THydrogen-bonded Turntrans52.231.4-177.9-57.8-34.3000115D21D19-D21 VanDerWaalsContact C-N 3.29Å; D19-D21 PolarHBondContact O-N 2.85Å
20G88.3Confident95Very high69 Ų6942.9 Ų42.971%0.71124%0.244SC*.THydrogen-bonded Turntrans89.2-14.8-178.900000114.2E18E18-G20 PolarHBondContact O-N 2.93Å; E18-G20 VanDerWaalsContact O-N 3.09Å
21D93.9Very high95.1Very high98 Ų9841.4 Ų41.452%0.52424%0.236SC..EExtended strand (participates in β ladder)trans-88.6143.6176.6-69-32.7000111.5L17 E18 D19 K23L17-D21 WeakPolarHBondContact CA-O 3.3Å; E18-D21 PolarHBondContact N-O 3.24Å; E18-D21 PolarHBondContact O-N 3.18Å; D19-D21 VanDerWaalsContact C-N 3.29Å; D19-D21 PolarHBondContact O-N 2.85Å; D21-K23 PolarHBondContact O-N 2.8Å; D21-K23 IonicContact OD2-NZ 3.63Å
22V95.5Very high95.2Very high64 Ų6440.9 Ų40.939%0.38823%0.231SC..EExtended strand (participates in β ladder)trans-80.1118167.3179.70000108.8A15 W16 L17 T24 M314 I317A15-V22 HydrophobicContact CB-CG1 4.41Å; W16-V22 WeakPolarHBondContact O-CA 3.5Å; L17-V22 HydrophobicContact CD2-CG2 3.62Å; V22-T24 HydrophobicContact CG1-CG2 4.4Å; V22-M314 HydrophobicContact CG1-CE 3.59Å; V22-M314 HydrophobicContact CG1-SD 3.79Å; V22-I317 HydrophobicContact CG1-CD1 3.57Å; V22-I317 HydrophobicContact CG2-CD1 4.28Å; V22-I317 HydrophobicContact CG2-CG2 4.43Å
23K97.6Very high95Very high70 Ų7045.1 Ų45.130%0.30426%0.259SS..EExtended strand (participates in β ladder)trans-97.3148.4169-54.7-58.1-177.1-166.50109.6A15 W16 E18 D21A15-K23 WeakPolarHBondContact CA-O 3.47Å; W16-K23 HydrophobicContact CD2-CB 3.91Å; W16-K23 VanDerWaalsContact CE2-CB 3.47Å; W16-K23 HydrophobicContact CE3-CB 4.29Å; W16-K23 HydrophobicContact CH2-CB 3.9Å; W16-K23 HydrophobicContact CZ2-CB 3.49Å; W16-K23 VanDerWaalsContact CZ2-CB 3.49Å; W16-K23 HydrophobicContact CZ2-CG 4.14Å; W16-K23 HydrophobicContact CZ3-CB 4.28Å; W16-K23 PolarHBondContact N-O 3.02Å; W16-K23 VanDerWaalsContact N-O 3.08Å; W16-K23 PolarHBondContact O-N 3.2Å; E18-K23 HydrophobicContact CB-CG 3.9Å; E18-K23 WeakPolarHBondContact OE2-CE 3.47Å; D21-K23 PolarHBondContact O-N 2.8Å; D21-K23 IonicContact OD2-NZ 3.63Å
24T97.9Very high94.8Very high63 Ų6349.1 Ų49.139%0.38728%0.278SS..EExtended strand (participates in β ladder)trans-132.4153.1176.457.90000111.4L14 A15 V22 F310 M314L14-T24 VanDerWaalsContact O-CA 3.25Å; L14-T24 WeakPolarHBondContact O-CA 3.41Å; A15-T24 HydrophobicContact CB-CG2 4.11Å; V22-T24 HydrophobicContact CG1-CG2 4.4Å; T24-F310 HydrophobicContact CG2-CD1 4.24Å; T24-F310 HydrophobicContact CG2-CG 4.44Å; T24-M314 HydrophobicContact CG2-CE 3.28Å; T24-M314 HydrophobicContact CG2-SD 4.43Å
25L98.1Very high94.6Very high32 Ų3253.3 Ų53.317%0.16829%0.294CS..EExtended strand (participates in β ladder)trans-147.3143.9174.8-176.7141.1000110K13 L14 W16 Q88K13-L25 CarbonylContact C-O 3.55Å; K13-L25 VanDerWaalsContact CA-O 3.3Å; K13-L25 WeakPolarHBondContact CA-O 3.43Å; L14-L25 HydrophobicContact CB-CB 4.28Å; L14-L25 HydrophobicContact CD1-CD2 4.18Å; L14-L25 HydrophobicContact CG-CD2 4.47Å; L14-L25 PolarHBondContact N-O 2.89Å; L14-L25 PolarHBondContact O-N 3.19Å; W16-L25 HydrophobicContact CH2-CB 4.2Å; W16-L25 HydrophobicContact CZ3-CB 3.98Å; L25-Q88 VanDerWaalsContact CD1-C 3.46Å; L25-Q88 HydrophobicContact CD1-CB 3.71Å; L25-Q88 WeakPolarHBondContact CD1-O 3.31Å; L25-Q88 HydrophobicContact CD2-CB 4.01Å; L25-Q88 HydrophobicContact CG-CB 4.5Å
26I96.8Very high94.3Very high68 Ų6854.6 Ų54.635%0.34930%0.302SS..EExtended strand (participates in β ladder)trans-113.8133.4169.1-171.7164.2000109.4N11 I12 K13 F310N11-I26 HydrophobicContact CB-CD1 3.9Å; N11-I26 HydrophobicContact CB-CG1 3.88Å; I12-I26 CarbonylContact O-C 3.58Å; I12-I26 WeakPolarHBondContact O-CA 3.49Å; K13-I26 HydrophobicContact CG-CB 4.45Å; K13-I26 HydrophobicContact CG-CD1 4.27Å; K13-I26 HydrophobicContact CG-CG1 4.15Å; I26-F310 HydrophobicContact CB-CE1 4.42Å; I26-F310 HydrophobicContact CB-CZ 4.19Å
27S96.3Very high94Very high1 Ų162.1 Ų62.11%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-128.1117.8177.9-178.20000109.2N11 I12 H84N11-S27 CarbonylContact C-O 3.57Å; N11-S27 WeakPolarHBondContact CA-O 2.97Å; I12-S27 PolarHBondContact N-O 3.47Å; I12-S27 PolarHBondContact O-N 2.95Å; S27-H84 PolarHBondContact OG-CD2 3.31Å
28P93.2Very high93.4Very high24 Ų2460.7 Ų60.716%0.15633%0.331CS..EExtended strand (participates in β ladder)trans-73.2147.9179.430.1-34.5000112N11 S30 F57 F221N11-P28 WeakPolarHBondContact OD1-CA 3.28Å; N11-P28 WeakPolarHBondContact OD1-CB 3.49Å; P28-S30 PolarHBondContact O-N 3.27Å; P28-F57 HydrophobicContact CG-CE2 4.02Å; P28-F57 HydrophobicContact CG-CZ 3.85Å; P28-F57 WeakPolarHBondContact O-CE2 3.34Å; P28-F221 HydrophobicContact CB-CD2 3.63Å; P28-F221 HydrophobicContact CB-CE2 3.73Å; P28-F221 HydrophobicContact CG-CD2 4.03Å; P28-F221 HydrophobicContact CG-CE2 3.69Å; P28-F221 HydrophobicContact CG-CZ 4.46Å
29N92.2Very high92.8Very high20 Ų2064.4 Ų64.411%0.10735%0.352CS..  trans-88.7104.8171.6-69.6-20.8000110G8 S9 T10 T67 Y72 A81G8-N29 PolarHBondContact O-ND2 3.39Å; S9-N29 WeakPolarHBondContact O-CB 3.44Å; S9-N29 PolarHBondContact O-ND2 3.32Å; T10-N29 PolarHBondContact O-N 3.34Å; N29-T67 HydrophobicContact CB-CG2 4.28Å; N29-Y72 PolarHBondContact ND2-OH 2.95Å; N29-A81 VanDerWaalsContact OD1-CB 3.27Å; N29-A81 WeakPolarHBondContact OD1-CB 3.18Å
30S93.5Very high92.3Very high3 Ų364 Ų642%0.02135%0.349CS..  trans-147.382.5173.9-164.30000109.5P28 F57 D58P28-S30 PolarHBondContact O-N 3.27Å; S30-F57 WeakPolarHBondContact O-CA 3.32Å; S30-F57 VanDerWaalsContact O-CD2 3.28Å; S30-F57 WeakPolarHBondContact O-CD2 3.4Å; S30-D58 WeakPolarHBondContact CB-O 3.35Å; S30-D58 PolarHBondContact O-N 3.33Å; S30-D58 PolarHBondContact OG-O 3.46Å
31F94.8Very high91.7Very high2 Ų266.1 Ų66.11%0.00934%0.344CS..EExtended strand (participates in β ladder)trans-116.9139.2-175.5-64.3-87.7000111.1Y48 S56 F57 A64 V65 V77 V80 A81 H84F31-Y48 HydrophobicContact CE1-CD2 4.29Å; F31-Y48 HydrophobicContact CE1-CE2 4.17Å; F31-S56 CarbonylContact C-O 3.52Å; F31-S56 VanDerWaalsContact CA-O 3.23Å; F31-S56 WeakPolarHBondContact CA-O 3.28Å; F31-F57 HydrophobicContact CD1-CB 4.1Å; F31-F57 HydrophobicContact CE1-CB 3.76Å; F31-F57 HydrophobicContact CE1-CD2 4.17Å; F31-F57 HydrophobicContact CE1-CG 4.45Å; F31-F57 HydrophobicContact CE2-CD2 4.41Å; F31-F57 HydrophobicContact CZ-CB 4.42Å; F31-F57 HydrophobicContact CZ-CD2 4.05Å; F31-A64 CarbonylContact O-C 3.58Å; F31-A64 VanDerWaalsContact O-CA 3.25Å; F31-A64 WeakPolarHBondContact O-CA 3.37Å; F31-V65 WeakPolarHBondContact O-CG2 3.32Å; F31-V65 PolarHBondContact O-N 3.22Å; F31-V77 HydrophobicContact CB-CG1 4.16Å; F31-V77 HydrophobicContact CD2-CG1 3.94Å; F31-V77 HydrophobicContact CG-CG1 4.28Å; F31-V80 HydrophobicContact CD1-CG1 3.81Å; F31-V80 HydrophobicContact CE1-CG1 3.71Å; F31-V80 HydrophobicContact CZ-CG1 4.37Å; F31-A81 HydrophobicContact CD2-CB 4.42Å; F31-A81 HydrophobicContact CE2-CB 3.59Å; F31-A81 HydrophobicContact CZ-CB 4.06Å; F31-H84 HydrophobicContact CE1-CB 3.95Å; F31-H84 HydrophobicContact CZ-CB 3.65Å; F31-H84 AromaticContact CZ-CD2 3.83Å; F31-H84 AromaticContact CZ-CG 3.79Å
32K94Very high90.8Very high28 Ų2870 Ų7012%0.12237%0.365CS..EExtended strand (participates in β ladder)trans-109.4150.8170.862.4175.5-174.9164.30111.3E34 S36 F55 S56 D58K32-E34 HydrophobicContact CB-CG 4.44Å; K32-E34 HydrophobicContact CD-CG 3.69Å; K32-E34 WeakPolarHBondContact CD-OE1 3.37Å; K32-E34 WeakPolarHBondContact CE-OE1 3.5Å; K32-E34 HydrophobicContact CG-CG 3.85Å; K32-E34 IonicContact NZ-OE1 3.89Å; K32-E34 PolarHBondContact NZ-OE1 3.23Å; K32-E34 PolarHBondContact O-N 2.94Å; K32-S36 WeakPolarHBondContact CE-OG 3.5Å; K32-F55 WeakPolarHBondContact O-CA 3.5Å; K32-S56 WeakPolarHBondContact CE-OG 3.1Å; K32-S56 VanDerWaalsContact CG-OG 3.25Å; K32-S56 WeakPolarHBondContact CG-OG 3.43Å; K32-S56 PolarHBondContact N-O 3.18Å; K32-S56 PolarHBondContact O-N 3.01Å; K32-S56 VanDerWaalsContact O-N 3.13Å; K32-D58 HydrophobicContact CD-CB 4.21Å; K32-D58 HydrophobicContact CG-CB 4.32Å; K32-D58 IonicContact NZ-OD2 3.12Å
33P93.2Very high90.1Very high88 Ų8870.3 Ų70.357%0.57137%0.374SS*.SBendtrans-8147.3-174.236.2-37.6000112.4K54 F55 V65P33-K54 CarbonylContact C-O 3.49Å; P33-K54 WeakPolarHBondContact CA-O 3.5Å; P33-F55 HydrophobicContact CB-CE1 4.36Å; P33-V65 HydrophobicContact CB-CG2 4.42Å; P33-V65 HydrophobicContact CG-CG2 4.5Å
34E93.3Very high89.3Confident104 Ų10469.3 Ų69.349%0.48638%0.379SS..SBendtrans-161157.817857.6-178.5-149.900109.5K32 K54 F55 S56K32-E34 HydrophobicContact CB-CG 4.44Å; K32-E34 HydrophobicContact CD-CG 3.69Å; K32-E34 WeakPolarHBondContact CD-OE1 3.37Å; K32-E34 WeakPolarHBondContact CE-OE1 3.5Å; K32-E34 HydrophobicContact CG-CG 3.85Å; K32-E34 IonicContact NZ-OE1 3.89Å; K32-E34 PolarHBondContact NZ-OE1 3.23Å; K32-E34 PolarHBondContact O-N 2.94Å; E34-K54 PolarHBondContact N-O 2.67Å; E34-F55 CarbonylContact O-C 3.55Å; E34-S56 WeakPolarHBondContact O-CB 3.28Å; E34-S56 PolarHBondContact O-N 2.84Å; E34-S56 VanDerWaalsContact O-N 3.12Å; E34-S56 PolarHBondContact O-OG 2.93Å
35W94.4Very high88.8Confident89 Ų8967.7 Ų67.734%0.33737%0.369SS..  trans-75.7143171.1-79.66.3000111.4N47 Y48 E49 K54W35-N47 WeakPolarHBondContact CA-OD1 3.37Å; W35-N47 HydrophobicContact CD2-CB 3.98Å; W35-N47 HydrophobicContact CG-CB 3.9Å; W35-Y48 PolarHBondContact NE1-O 3.46Å; W35-E49 HydrophobicContact CZ2-CB 4.14Å; W35-K54 HydrophobicContact CD2-CD 3.96Å; W35-K54 HydrophobicContact CD2-CG 4.42Å; W35-K54 HydrophobicContact CG-CB 4.25Å; W35-K54 HydrophobicContact CG-CD 4.02Å; W35-K54 HydrophobicContact CG-CG 4.36Å; W35-K54 HydrophobicContact CZ2-CD 4.45Å; W35-K54 HydrophobicContact CZ2-CG 4.48Å
36S92.7Very high88.7Confident26 Ų2667.7 Ų67.718%0.18237%0.374CS..  trans-88.6160.6170.5-70.40000110.7K32 N47 S56K32-S36 WeakPolarHBondContact CE-OG 3.5Å; S36-N47 PolarHBondContact N-OD1 2.68Å; S36-N47 PolarHBondContact O-ND2 2.83Å; S36-S56 PolarHBondContact N-OG 2.95Å; S36-S56 WeakPolarHBondContact OG-CB 3.48Å; S36-S56 PolarHBondContact OG-OG 2.88Å
37F89.4Confident88.7Confident169 Ų16964.5 Ų64.574%0.74136%0.358SS*.  trans-126.1134.6175.2172.5-103.6000108.4L39F37-L39 HydrophobicContact CE1-CB 4.06Å; F37-L39 HydrophobicContact CE1-CD1 3.87Å; F37-L39 HydrophobicContact CZ-CD1 4.43Å
38S83.7Confident88.8Confident31 Ų3164.7 Ų64.722%0.21736%0.358CS..  trans-101.1128.9168.6-171.10000109.1D41S38-D41 WeakPolarHBondContact OG-CB 3.4Å; S38-D41 PolarHBondContact OG-N 3.05Å; S38-D41 PolarHBondContact OG-OD2 3.22Å; S38-D41 VanDerWaalsContact OG-OD2 3.06Å
39L79.5Confident89Confident143 Ų14365.5 Ų65.575%0.74936%0.36SS*.SBendtrans-84-28.4-178.9-176.367000112.4F37F37-L39 HydrophobicContact CE1-CB 4.06Å; F37-L39 HydrophobicContact CE1-CD1 3.87Å; F37-L39 HydrophobicContact CZ-CD1 4.43Å
40L79.4Confident89.3Confident153 Ų15364.7 Ų64.780%0.80136%0.356SS*.SBendtrans-121.8-25.1-169-65.2176.5000113.5
41D75.4Confident89.4Confident112 Ų11270.1 Ų70.160%0.59939%0.385SS*.  trans-86.9129.7-179.7-55.8-50.7000110S38 A43S38-D41 WeakPolarHBondContact OG-CB 3.4Å; S38-D41 PolarHBondContact OG-N 3.05Å; S38-D41 PolarHBondContact OG-OD2 3.22Å; S38-D41 VanDerWaalsContact OG-OD2 3.06Å; D41-A43 HydrophobicContact CB-CB 4.4Å; D41-A43 PolarHBondContact O-N 3.33Å
42D76.8Confident89.4Confident179 Ų17972.7 Ų72.796%0.95741%0.411SS*.SBendtrans-65.6-19.4167.4-68.7-36000111.5
43A79Confident89.6Confident72 Ų7276.7 Ų76.760%0.59543%0.43SS*.SBendtrans-71.7128.7174.900000110.5D41D41-A43 HydrophobicContact CB-CB 4.4Å; D41-A43 PolarHBondContact O-N 3.33Å
44A81.9Confident89.8Confident48 Ų4876.9 Ų76.940%0.39742%0.422SS..PPolyproline II helixtrans-58.1136.4172.900000110Q133A44-Q133 HydrophobicContact CB-CG 4.18Å
45P88.2Confident90Very high29 Ų2972.7 Ų72.719%0.18840%0.402CS..PPolyproline II helixtrans-55.9156.2169.6-22.633000110.9N47P45-N47 PolarHBondContact O-N 2.65Å
46A94.4Very high90.1Very high32 Ų3268.4 Ų68.426%0.26439%0.386SS..SBendtrans-70.373.2175.100000111Y48 S56 F57A46-Y48 HydrophobicContact CB-CE2 4.06Å; A46-Y48 WeakPolarHBondContact O-CD2 3.42Å; A46-Y48 VanDerWaalsContact O-CE2 3.22Å; A46-Y48 WeakPolarHBondContact O-CE2 3.49Å; A46-S56 VanDerWaalsContact O-CA 3.31Å; A46-S56 WeakPolarHBondContact O-CA 3.47Å; A46-F57 HydrophobicContact CB-CB 3.93Å; A46-F57 PolarHBondContact O-N 2.96Å
47N97.1Very high90.2Very high1 Ų169.4 Ų69.41%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-104.4138.2-177.8-74.9-21.9000110.7W35 S36 P45 F55 S56 Q133W35-N47 WeakPolarHBondContact CA-OD1 3.37Å; W35-N47 HydrophobicContact CD2-CB 3.98Å; W35-N47 HydrophobicContact CG-CB 3.9Å; S36-N47 PolarHBondContact N-OD1 2.68Å; S36-N47 PolarHBondContact O-ND2 2.83Å; P45-N47 PolarHBondContact O-N 2.65Å; N47-F55 WeakPolarHBondContact CA-O 3.27Å; N47-S56 WeakPolarHBondContact OD1-CB 3.27Å; N47-Q133 HydrophobicContact CB-CB 3.79Å; N47-Q133 PolarHBondContact ND2-OE1 2.83Å; N47-Q133 PolarHBondContact O-N 2.78Å
48Y98.1Very high90.2Very high5 Ų562.9 Ų62.92%0.0236%0.36CS..EExtended strand (participates in β ladder)trans-133.1145.8-174.8-56-83.1000110.4F31 W35 A46 F55 V80 Q83 H84 V130 R131 V132F31-Y48 HydrophobicContact CE1-CD2 4.29Å; F31-Y48 HydrophobicContact CE1-CE2 4.17Å; W35-Y48 PolarHBondContact NE1-O 3.46Å; A46-Y48 HydrophobicContact CB-CE2 4.06Å; A46-Y48 WeakPolarHBondContact O-CD2 3.42Å; A46-Y48 VanDerWaalsContact O-CE2 3.22Å; A46-Y48 WeakPolarHBondContact O-CE2 3.49Å; Y48-F55 PolarHBondContact N-O 2.97Å; Y48-F55 PolarHBondContact O-N 2.92Å; Y48-V80 HydrophobicContact CD2-CG1 3.69Å; Y48-V80 HydrophobicContact CG-CG1 3.72Å; Y48-Q83 HydrophobicContact CD1-CG 4.19Å; Y48-Q83 HydrophobicContact CE1-CG 4.12Å; Y48-H84 HydrophobicContact CE1-CB 4.46Å; Y48-H84 HydrophobicContact CE2-CB 3.99Å; Y48-H84 AromaticContact CE2-ND1 3.77Å; Y48-H84 AromaticContact CZ-ND1 3.62Å; Y48-H84 WeakPolarHBondContact OH-CA 3.22Å; Y48-H84 PolarHBondContact OH-ND1 2.92Å; Y48-V130 HydrophobicContact CD1-CG1 4Å; Y48-V130 HydrophobicContact CG-CG1 4.45Å; Y48-R131 VanDerWaalsContact CA-O 3.3Å; Y48-R131 WeakPolarHBondContact CA-O 3.16Å; Y48-V132 HydrophobicContact CD1-CB 4.47Å; Y48-V132 HydrophobicContact CD1-CG1 4.34Å; Y48-V132 HydrophobicContact CD1-CG2 3.93Å; Y48-V132 HydrophobicContact CE1-CB 4.39Å; Y48-V132 HydrophobicContact CE1-CG1 3.89Å; Y48-V132 HydrophobicContact CE1-CG2 3.84Å
49E98.1Very high90.3Very high42 Ų4263.3 Ų63.320%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-128.4132.2171.7-179.3-175.3120.400109.6W35 E53 V130 R131W35-E49 HydrophobicContact CZ2-CB 4.14Å; E49-E53 VanDerWaalsContact CA-O 3.26Å; E49-E53 WeakPolarHBondContact CA-O 3.29Å; E49-V130 WeakPolarHBondContact O-CA 3.42Å; E49-R131 HydrophobicContact CB-CB 4.28Å; E49-R131 PolarHBondContact N-O 3.27Å; E49-R131 PolarHBondContact O-N 3.24Å; E49-R131 IonicContact OE1-NH1 2.92Å; E49-R131 PolarHBondContact OE1-NH1 3.07Å
50I98Very high90.5Very high2 Ų262.3 Ų62.31%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-140.8125.8177.9-176.8171.5000108.7G52 E53 F55 D76 V79 V80 R128 V130I50-G52 PolarHBondContact O-N 2.78Å; I50-E53 PolarHBondContact N-O 2.82Å; I50-E53 WeakPolarHBondContact O-CB 3.37Å; I50-E53 PolarHBondContact O-N 3.4Å; I50-F55 HydrophobicContact CG2-CD2 4.06Å; I50-F55 HydrophobicContact CG2-CE2 3.81Å; I50-D76 HydrophobicContact CG2-CB 3.85Å; I50-V79 HydrophobicContact CD1-CB 3.71Å; I50-V79 HydrophobicContact CD1-CG1 3.88Å; I50-V79 HydrophobicContact CD1-CG2 4.09Å; I50-V80 HydrophobicContact CB-CG2 4.37Å; I50-V80 HydrophobicContact CG2-CG2 3.73Å; I50-R128 HydrophobicContact CD1-CB 4.08Å; I50-V130 HydrophobicContact CB-CG2 4.32Å; I50-V130 HydrophobicContact CD1-CG2 3.93Å; I50-V130 HydrophobicContact CG1-CG2 4.34Å
51D96.4Very high90.7Very high118 Ų11855.8 Ų55.863%0.63132%0.324SS*.THydrogen-bonded Turntrans48.133-179-64.6-27.1000114.7E53 R128D51-E53 VanDerWaalsContact C-N 3.32Å; D51-R128 IonicContact OD2-CZ 2.67Å; D51-R128 IonicContact OD2-NE 3.82Å; D51-R128 PolarHBondContact OD2-NE 3.12Å; D51-R128 IonicContact OD2-NH2 2.8Å; D51-R128 PolarHBondContact OD2-NH2 3.23Å
52G95.4Very high90.9Very high55 Ų5552 Ų5257%0.56731%0.309SS*.THydrogen-bonded Turntrans87.7-10.8-179.400000115.2I50I50-G52 PolarHBondContact O-N 2.78Å
53E97.4Very high91Very high112 Ų11248.2 Ų48.252%0.52329%0.288SS..EExtended strand (participates in β ladder)trans-85.4146175.9-64.1-60.1146.900111.3E49 I50 D51 F55E49-E53 VanDerWaalsContact CA-O 3.26Å; E49-E53 WeakPolarHBondContact CA-O 3.29Å; I50-E53 PolarHBondContact N-O 2.82Å; I50-E53 WeakPolarHBondContact O-CB 3.37Å; I50-E53 PolarHBondContact O-N 3.4Å; D51-E53 VanDerWaalsContact C-N 3.32Å; E53-F55 HydrophobicContact CB-CE2 3.8Å; E53-F55 HydrophobicContact CB-CZ 4.33Å
54K97.2Very high91.2Very high93 Ų9346.2 Ų46.240%0.40427%0.272SS..EExtended strand (participates in β ladder)trans-114.6134-173.3-74.2-175.6179.9177.80111.6P33 E34 W35P33-K54 CarbonylContact C-O 3.49Å; P33-K54 WeakPolarHBondContact CA-O 3.5Å; E34-K54 PolarHBondContact N-O 2.67Å; W35-K54 HydrophobicContact CD2-CD 3.96Å; W35-K54 HydrophobicContact CD2-CG 4.42Å; W35-K54 HydrophobicContact CG-CB 4.25Å; W35-K54 HydrophobicContact CG-CD 4.02Å; W35-K54 HydrophobicContact CG-CG 4.36Å; W35-K54 HydrophobicContact CZ2-CD 4.45Å; W35-K54 HydrophobicContact CZ2-CG 4.48Å
55F97.4Very high91.4Very high15 Ų1546.3 Ų46.37%0.06627%0.267CS..EExtended strand (participates in β ladder)trans-134.7154.7177.4-61.9-84.6000111K32 P33 E34 N47 Y48 I50 E53 V65 D76 V77 V80K32-F55 WeakPolarHBondContact O-CA 3.5Å; P33-F55 HydrophobicContact CB-CE1 4.36Å; E34-F55 CarbonylContact O-C 3.55Å; N47-F55 WeakPolarHBondContact CA-O 3.27Å; Y48-F55 PolarHBondContact N-O 2.97Å; Y48-F55 PolarHBondContact O-N 2.92Å; I50-F55 HydrophobicContact CG2-CD2 4.06Å; I50-F55 HydrophobicContact CG2-CE2 3.81Å; E53-F55 HydrophobicContact CB-CE2 3.8Å; E53-F55 HydrophobicContact CB-CZ 4.33Å; F55-V65 HydrophobicContact CE1-CG2 4.41Å; F55-D76 HydrophobicContact CE2-CB 3.92Å; F55-D76 HydrophobicContact CZ-CB 4.01Å; F55-V77 HydrophobicContact CD1-CG2 4Å; F55-V77 HydrophobicContact CE1-CG2 3.53Å; F55-V77 HydrophobicContact CZ-CG2 4.04Å; F55-V80 HydrophobicContact CB-CG1 4.09Å; F55-V80 HydrophobicContact CD2-CG2 3.93Å; F55-V80 HydrophobicContact CG-CG2 4.43Å
56S96Very high91.1Very high0 Ų049 Ų490%028%0.283CS..EExtended strand (participates in β ladder)trans-139.1143168.860.90000111F31 K32 E34 S36 A46 N47 D58F31-S56 CarbonylContact C-O 3.52Å; F31-S56 VanDerWaalsContact CA-O 3.23Å; F31-S56 WeakPolarHBondContact CA-O 3.28Å; K32-S56 WeakPolarHBondContact CE-OG 3.1Å; K32-S56 VanDerWaalsContact CG-OG 3.25Å; K32-S56 WeakPolarHBondContact CG-OG 3.43Å; K32-S56 PolarHBondContact N-O 3.18Å; K32-S56 PolarHBondContact O-N 3.01Å; K32-S56 VanDerWaalsContact O-N 3.13Å; E34-S56 WeakPolarHBondContact O-CB 3.28Å; E34-S56 PolarHBondContact O-N 2.84Å; E34-S56 VanDerWaalsContact O-N 3.12Å; E34-S56 PolarHBondContact O-OG 2.93Å; S36-S56 PolarHBondContact N-OG 2.95Å; S36-S56 WeakPolarHBondContact OG-CB 3.48Å; S36-S56 PolarHBondContact OG-OG 2.88Å; A46-S56 VanDerWaalsContact O-CA 3.31Å; A46-S56 WeakPolarHBondContact O-CA 3.47Å; N47-S56 WeakPolarHBondContact OD1-CB 3.27Å; S56-D58 PolarHBondContact O-N 3.02Å
57F94.8Very high90.4Very high46 Ų4648.2 Ų48.220%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-75.4120.2170.3177.6-103.8000109P28 S30 F31 A46 P59 H84P28-F57 HydrophobicContact CG-CE2 4.02Å; P28-F57 HydrophobicContact CG-CZ 3.85Å; P28-F57 WeakPolarHBondContact O-CE2 3.34Å; S30-F57 WeakPolarHBondContact O-CA 3.32Å; S30-F57 VanDerWaalsContact O-CD2 3.28Å; S30-F57 WeakPolarHBondContact O-CD2 3.4Å; F31-F57 HydrophobicContact CD1-CB 4.1Å; F31-F57 HydrophobicContact CE1-CB 3.76Å; F31-F57 HydrophobicContact CE1-CD2 4.17Å; F31-F57 HydrophobicContact CE1-CG 4.45Å; F31-F57 HydrophobicContact CE2-CD2 4.41Å; F31-F57 HydrophobicContact CZ-CB 4.42Å; F31-F57 HydrophobicContact CZ-CD2 4.05Å; A46-F57 HydrophobicContact CB-CB 3.93Å; A46-F57 PolarHBondContact O-N 2.96Å; F57-P59 HydrophobicContact CE1-CB 4.42Å; F57-P59 HydrophobicContact CE1-CG 4.15Å; F57-P59 HydrophobicContact CZ-CB 4.21Å; F57-P59 HydrophobicContact CZ-CG 4.44Å; F57-H84 AromaticContact CD1-CE1 3.73Å; F57-H84 AromaticContact CD1-NE2 3.75Å; F57-H84 AromaticContact CD2-NE2 3.67Å; F57-H84 AromaticContact CE2-NE2 4Å; F57-H84 AromaticContact CG-CE1 3.61Å; F57-H84 AromaticContact CG-NE2 3.54Å
58D90.7Very high89.3Confident33 Ų3351.7 Ų51.718%0.17630%0.296CS..  trans-141103.4179.3-173.8-20.2000109.1S30 K32 S56 L60 S61S30-D58 WeakPolarHBondContact CB-O 3.35Å; S30-D58 PolarHBondContact O-N 3.33Å; S30-D58 PolarHBondContact OG-O 3.46Å; K32-D58 HydrophobicContact CD-CB 4.21Å; K32-D58 HydrophobicContact CG-CB 4.32Å; K32-D58 IonicContact NZ-OD2 3.12Å; S56-D58 PolarHBondContact O-N 3.02Å; D58-L60 PolarHBondContact O-N 3.05Å; D58-L60 WeakPolarHBondContact OD1-CA 3.47Å; D58-L60 PolarHBondContact OD1-N 3.27Å; D58-S61 PolarHBondContact OD1-N 3.39Å
59P85.5Confident88.3Confident40 Ų4055.4 Ų55.426%0.2631%0.314SS..SBendtrans-70.7-17.1-179.727.2-32.2000113.4F57 S219 F221F57-P59 HydrophobicContact CE1-CB 4.42Å; F57-P59 HydrophobicContact CE1-CG 4.15Å; F57-P59 HydrophobicContact CZ-CB 4.21Å; F57-P59 HydrophobicContact CZ-CG 4.44Å; P59-S219 PolarHBondContact O-OG 3.16Å; P59-F221 HydrophobicContact CB-CD1 3.65Å; P59-F221 HydrophobicContact CB-CE1 3.65Å; P59-F221 HydrophobicContact CB-CG 4.49Å; P59-F221 HydrophobicContact CB-CZ 4.49Å
60L83.2Confident87.3Confident121 Ų12156.5 Ų56.563%0.63432%0.324SS*.SBendtrans-97.4-18-175.7-59.5-179.7000112.8D58 A62D58-L60 PolarHBondContact O-N 3.05Å; D58-L60 WeakPolarHBondContact OD1-CA 3.47Å; D58-L60 PolarHBondContact OD1-N 3.27Å; L60-A62 PolarHBondContact O-N 2.96Å
61S83.7Confident86.7Confident17 Ų1763.6 Ų63.612%0.11935%0.35CS..  trans-65.6118179.5-178.10000112.1D58 D63 S219D58-S61 PolarHBondContact OD1-N 3.39Å; S61-D63 PolarHBondContact O-N 3.42Å; S61-D63 PolarHBondContact OG-N 3.42Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; S61-S219 WeakPolarHBondContact O-CB 3.3Å
62A79.2Confident86.5Confident33 Ų3358.2 Ų58.227%0.27332%0.321SS..THydrogen-bonded Turntrans-69.3-13.5169.600000112.8L60 R217L60-A62 PolarHBondContact O-N 2.96Å; A62-R217 HydrophobicContact CB-CB 4.12Å
63D79.6Confident86.3Confident98 Ų9856 Ų5652%0.52430%0.296SS..THydrogen-bonded Turntrans-101.125.8-178.7-58.4-46000111.9S61 R217S61-D63 PolarHBondContact O-N 3.42Å; S61-D63 PolarHBondContact OG-N 3.42Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; D63-R217 IonicContact OD1-CZ 2.81Å; D63-R217 IonicContact OD1-NH1 3.3Å; D63-R217 IonicContact OD1-NH2 3.67Å; D63-R217 PolarHBondContact OD1-NH2 3.35Å
64A84Confident86.3Confident30 Ų3051.8 Ų51.825%0.24828%0.275CS..PPolyproline II helixtrans-56.7140171.700000111.3F31 V66F31-A64 CarbonylContact O-C 3.58Å; F31-A64 VanDerWaalsContact O-CA 3.25Å; F31-A64 WeakPolarHBondContact O-CA 3.37Å; A64-V66 PolarHBondContact O-N 2.97Å
65V84.4Confident86.2Confident50 Ų5048.8 Ų48.830%0.30327%0.266SS..PPolyproline II helixtrans-59.4134.1178-179.30000109.7F31 P33 F55 T67 V77F31-V65 WeakPolarHBondContact O-CG2 3.32Å; F31-V65 PolarHBondContact O-N 3.22Å; P33-V65 HydrophobicContact CB-CG2 4.42Å; P33-V65 HydrophobicContact CG-CG2 4.5Å; F55-V65 HydrophobicContact CE1-CG2 4.41Å; V65-T67 PolarHBondContact O-N 2.98Å; V65-V77 HydrophobicContact CB-CG2 4.14Å; V65-V77 HydrophobicContact CG1-CG2 3.89Å; V65-V77 HydrophobicContact CG2-CG2 4.26Å
66V81.7Confident86.2Confident86 Ų8650.1 Ų50.152%0.52127%0.274SS..PPolyproline II helixtrans-68.4118.5177.9-179.50000110.1A64 T68A64-V66 PolarHBondContact O-N 2.97Å; V66-T68 WeakPolarHBondContact CG1-OG1 3.15Å
67T81.1Confident86.2Confident15 Ų1550.4 Ų50.49%0.09228%0.276CS..  trans-104.4-1.3178.656.40000113.5S9 N29 V65 E69 Y72 V77S9-T67 WeakPolarHBondContact CB-O 3.31Å; S9-T67 VanDerWaalsContact O-CB 3.27Å; S9-T67 WeakPolarHBondContact O-CB 3.44Å; S9-T67 PolarHBondContact O-OG1 3.3Å; N29-T67 HydrophobicContact CB-CG2 4.28Å; V65-T67 PolarHBondContact O-N 2.98Å; T67-E69 PolarHBondContact O-N 2.9Å; T67-Y72 HydrophobicContact CG2-CD2 3.59Å; T67-Y72 HydrophobicContact CG2-CE2 3.6Å; T67-Y72 WeakPolarHBondContact O-CB 3.37Å; T67-V77 HydrophobicContact CG2-CG1 4.14Å
68T72.9Confident86.3Confident74 Ų7448.2 Ų48.245%0.45427%0.266SS..  trans-80.30.3-168.863.30000115.1V66 T174V66-T68 WeakPolarHBondContact CG1-OG1 3.15Å; T68-T174 HydrophobicContact CG2-CG2 3.51Å
69E78.1Confident86.6Confident83 Ų8347 Ų4739%0.38826%0.26SS..SBendtrans-98.4150180-67178.9-142.400111T67 R71 Y72T67-E69 PolarHBondContact O-N 2.9Å; E69-R71 HydrophobicContact CB-CG 3.88Å; E69-R71 VanDerWaalsContact CD-NH1 3.31Å; E69-R71 PolarHBondContact O-N 3.37Å; E69-R71 IonicContact OE1-CZ 3.15Å; E69-R71 IonicContact OE1-NE 2.85Å; E69-R71 IonicContact OE1-NH1 3.07Å; E69-R71 PolarHBondContact OE1-NH1 2.83Å; E69-R71 IonicContact OE1-NH2 3.86Å; E69-R71 PolarHBondContact OE1-NH2 3.15Å; E69-R71 VanDerWaalsContact OE2-CD 3.28Å; E69-R71 WeakPolarHBondContact OE2-CD 3.47Å; E69-R71 IonicContact OE2-CZ 2.69Å; E69-R71 IonicContact OE2-NE 2.79Å; E69-R71 PolarHBondContact OE2-NE 2.83Å; E69-R71 VanDerWaalsContact OE2-NE 3.12Å; E69-R71 IonicContact OE2-NH1 3.11Å; E69-R71 PolarHBondContact OE2-NH1 2.59Å; E69-R71 IonicContact OE2-NH2 2.7Å; E69-R71 PolarHBondContact OE2-NH2 2.9Å; E69-Y72 WeakPolarHBondContact O-CB 3.29Å; E69-Y72 PolarHBondContact O-N 3.27Å
70T76.2Confident87.2Confident66 Ų6645 Ų4541%0.40525%0.247SC..G310 helixtrans-53-30176.8-44.80000113.1Y72 Q73 E106T70-Y72 PolarHBondContact O-N 2.86Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; T70-Q73 PolarHBondContact O-N 3.33Å; T70-E106 HydrophobicContact CG2-CG 3.48Å; T70-E106 VanDerWaalsContact CG2-CG 3.48Å; T70-E106 WeakPolarHBondContact CG2-OE1 3.36Å
71R85.8Confident87.9Confident151 Ų15139.3 Ų39.357%0.5722%0.217SC*.G310 helixtrans-58.6-23.5175.674.8177.7-177-138.8-3.3113.6E69 Q73 Y74 S75E69-R71 HydrophobicContact CB-CG 3.88Å; E69-R71 VanDerWaalsContact CD-NH1 3.31Å; E69-R71 PolarHBondContact O-N 3.37Å; E69-R71 IonicContact OE1-CZ 3.15Å; E69-R71 IonicContact OE1-NE 2.85Å; E69-R71 IonicContact OE1-NH1 3.07Å; E69-R71 PolarHBondContact OE1-NH1 2.83Å; E69-R71 IonicContact OE1-NH2 3.86Å; E69-R71 PolarHBondContact OE1-NH2 3.15Å; E69-R71 VanDerWaalsContact OE2-CD 3.28Å; E69-R71 WeakPolarHBondContact OE2-CD 3.47Å; E69-R71 IonicContact OE2-CZ 2.69Å; E69-R71 IonicContact OE2-NE 2.79Å; E69-R71 PolarHBondContact OE2-NE 2.83Å; E69-R71 VanDerWaalsContact OE2-NE 3.12Å; E69-R71 IonicContact OE2-NH1 3.11Å; E69-R71 PolarHBondContact OE2-NH1 2.59Å; E69-R71 IonicContact OE2-NH2 2.7Å; E69-R71 PolarHBondContact OE2-NH2 2.9Å; R71-Q73 PolarHBondContact O-N 3.44Å; R71-Y74 CarbonylContact O-C 3.55Å; R71-Y74 PolarHBondContact O-N 3.15Å; R71-S75 PolarHBondContact O-N 3.36Å
72Y91.5Very high88.6Confident5 Ų538.7 Ų38.72%0.0221%0.213CC..G310 helixtrans-51.6-43.4178.5168-103.8000111.2D7 N29 T67 E69 T70 Y74 S75 V77 N78D7-Y72 WeakPolarHBondContact O-CE1 3.47Å; N29-Y72 PolarHBondContact ND2-OH 2.95Å; T67-Y72 HydrophobicContact CG2-CD2 3.59Å; T67-Y72 HydrophobicContact CG2-CE2 3.6Å; T67-Y72 WeakPolarHBondContact O-CB 3.37Å; E69-Y72 WeakPolarHBondContact O-CB 3.29Å; E69-Y72 PolarHBondContact O-N 3.27Å; T70-Y72 PolarHBondContact O-N 2.86Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-Y74 PolarHBondContact O-N 3.15Å; Y72-S75 WeakPolarHBondContact O-CB 3.22Å; Y72-S75 PolarHBondContact O-N 2.87Å; Y72-S75 PolarHBondContact O-OG 2.91Å; Y72-V77 HydrophobicContact CE2-CG1 4.32Å; Y72-N78 HydrophobicContact CD1-CB 4.47Å; Y72-N78 HydrophobicContact CD2-CB 4.17Å; Y72-N78 HydrophobicContact CE1-CB 4.1Å; Y72-N78 WeakPolarHBondContact CE1-ND2 3.31Å; Y72-N78 HydrophobicContact CE2-CB 3.8Å; Y72-N78 HydrophobicContact CG-CB 4.5Å; Y72-N78 WeakPolarHBondContact O-CB 3.37Å
73Q93.1Very high89.5Confident8 Ų837.4 Ų37.44%0.03720%0.201CC..G310 helixtrans-60.4-16.4-177.3-65.1-59.9-15.800114.5D7 T70 R71 N78 L102 P103 K122 N125D7-Q73 PolarHBondContact O-NE2 3.05Å; D7-Q73 PolarHBondContact OD2-OE1 2.88Å; T70-Q73 PolarHBondContact O-N 3.33Å; R71-Q73 PolarHBondContact O-N 3.44Å; Q73-N78 PolarHBondContact O-OD1 2.9Å; Q73-L102 HydrophobicContact CB-CD2 3.92Å; Q73-L102 HydrophobicContact CG-CD2 4.19Å; Q73-P103 HydrophobicContact CG-CG 4.25Å; Q73-K122 WeakPolarHBondContact O-CD 3.49Å; Q73-K122 PolarHBondContact O-NZ 3.46Å; Q73-N125 PolarHBondContact O-ND2 2.95Å
74Y95.6Very high90.4Very high23 Ų2333 Ų339%0.0918%0.177CC..G310 helixtrans-120.714.9179.5-45.9-68.8000112.8R71 Y72 L102 E106 H118 R121 K122 N125R71-Y74 CarbonylContact O-C 3.55Å; R71-Y74 PolarHBondContact O-N 3.15Å; Y72-Y74 PolarHBondContact O-N 3.15Å; Y74-L102 HydrophobicContact CE1-CD2 4.32Å; Y74-E106 VanDerWaalsContact CE2-OE2 3.28Å; Y74-E106 WeakPolarHBondContact CE2-OE2 3.25Å; Y74-E106 PolarHBondContact OH-OE2 3.28Å; Y74-H118 WeakPolarHBondContact OH-CB 3Å; Y74-R121 HydrophobicContact CD1-CB 4.29Å; Y74-R121 HydrophobicContact CD1-CG 3.67Å; Y74-R121 HydrophobicContact CE1-CB 4.19Å; Y74-R121 HydrophobicContact CE1-CG 4.01Å; Y74-R121 HydrophobicContact CG-CG 4.35Å; Y74-K122 HydrophobicContact CE1-CB 4.26Å; Y74-N125 WeakPolarHBondContact CA-ND2 3.34Å; Y74-N125 PolarHBondContact O-OD1 3.49Å
75S95.6Very high91.1Very high30 Ų3031.5 Ų31.521%0.2117%0.165CC..SBendtrans-97.2162.3-175.272.70000112.3R71 Y72 V77 N78 V79 N125R71-S75 PolarHBondContact O-N 3.36Å; Y72-S75 WeakPolarHBondContact O-CB 3.22Å; Y72-S75 PolarHBondContact O-N 2.87Å; Y72-S75 PolarHBondContact O-OG 2.91Å; S75-V77 VanDerWaalsContact C-N 3.28Å; S75-V77 PolarHBondContact O-N 2.7Å; S75-N78 PolarHBondContact O-N 3.46Å; S75-N78 PolarHBondContact OG-N 3.14Å; S75-V79 PolarHBondContact O-N 2.91Å; S75-N125 PolarHBondContact O-ND2 3.48Å
76D96.8Very high91.8Very high43 Ų4329.1 Ų29.123%0.2315%0.151CC..Hα-helixtrans-59-41.6172.5-60.7-1.2000111.4I50 F55 N78 V79 V80 R128I50-D76 HydrophobicContact CG2-CB 3.85Å; F55-D76 HydrophobicContact CE2-CB 3.92Å; F55-D76 HydrophobicContact CZ-CB 4.01Å; D76-N78 VanDerWaalsContact C-N 3.28Å; D76-N78 PolarHBondContact O-N 2.91Å; D76-V79 PolarHBondContact O-N 2.97Å; D76-V79 VanDerWaalsContact O-N 3.12Å; D76-V80 WeakPolarHBondContact O-CG2 3.33Å; D76-V80 PolarHBondContact O-N 3.47Å; D76-R128 IonicContact OD1-CZ 3.78Å; D76-R128 IonicContact OD1-NH1 2.63Å; D76-R128 PolarHBondContact OD1-NH1 3.43Å; D76-R128 IonicContact OD1-NH2 2.6Å; D76-R128 PolarHBondContact OD1-NH2 3.31Å; D76-R128 IonicContact OD2-NH2 3.17Å
77V96Very high92.5Very high7 Ų727 Ų274%0.04214%0.135CC..Hα-helixtrans-64-32.3-179.7-1780000111.8F31 F55 V65 T67 Y72 S75 A81F31-V77 HydrophobicContact CB-CG1 4.16Å; F31-V77 HydrophobicContact CD2-CG1 3.94Å; F31-V77 HydrophobicContact CG-CG1 4.28Å; F55-V77 HydrophobicContact CD1-CG2 4Å; F55-V77 HydrophobicContact CE1-CG2 3.53Å; F55-V77 HydrophobicContact CZ-CG2 4.04Å; V65-V77 HydrophobicContact CB-CG2 4.14Å; V65-V77 HydrophobicContact CG1-CG2 3.89Å; V65-V77 HydrophobicContact CG2-CG2 4.26Å; T67-V77 HydrophobicContact CG2-CG1 4.14Å; Y72-V77 HydrophobicContact CE2-CG1 4.32Å; S75-V77 VanDerWaalsContact C-N 3.28Å; S75-V77 PolarHBondContact O-N 2.7Å; V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3.25Å
78N97.4Very high93.3Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-65.9-43.5173.5169.6-108.3000111.9D7 Y72 Q73 S75 D76 A81 I82 K122D7-N78 PolarHBondContact OD2-ND2 3.45Å; Y72-N78 HydrophobicContact CD1-CB 4.47Å; Y72-N78 HydrophobicContact CD2-CB 4.17Å; Y72-N78 HydrophobicContact CE1-CB 4.1Å; Y72-N78 WeakPolarHBondContact CE1-ND2 3.31Å; Y72-N78 HydrophobicContact CE2-CB 3.8Å; Y72-N78 HydrophobicContact CG-CB 4.5Å; Y72-N78 WeakPolarHBondContact O-CB 3.37Å; Q73-N78 PolarHBondContact O-OD1 2.9Å; S75-N78 PolarHBondContact O-N 3.46Å; S75-N78 PolarHBondContact OG-N 3.14Å; D76-N78 VanDerWaalsContact C-N 3.28Å; D76-N78 PolarHBondContact O-N 2.91Å; N78-A81 PolarHBondContact O-N 3.23Å; N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.39Å; N78-I82 PolarHBondContact O-N 3.35Å; N78-K122 PolarHBondContact ND2-NZ 2.87Å; N78-K122 PolarHBondContact OD1-NZ 3.21Å
79V98.3Very high94.4Very high6 Ų628.5 Ų28.54%0.03614%0.137CC..Hα-helixtrans-65.9-43.7177.8-167.20000110.7I50 S75 D76 A81 I82 Q83 N125 R128 V130I50-V79 HydrophobicContact CD1-CB 3.71Å; I50-V79 HydrophobicContact CD1-CG1 3.88Å; I50-V79 HydrophobicContact CD1-CG2 4.09Å; S75-V79 PolarHBondContact O-N 2.91Å; D76-V79 PolarHBondContact O-N 2.97Å; D76-V79 VanDerWaalsContact O-N 3.12Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-I82 PolarHBondContact O-N 2.94Å; V79-Q83 WeakPolarHBondContact O-CB 3.28Å; V79-Q83 PolarHBondContact O-N 3.48Å; V79-N125 WeakPolarHBondContact CG2-ND2 3.32Å; V79-N125 WeakPolarHBondContact CG2-O 3.48Å; V79-R128 HydrophobicContact CG1-CB 4.36Å; V79-V130 HydrophobicContact CB-CG2 4.36Å; V79-V130 HydrophobicContact CG1-CG2 3.59Å
80V98.1Very high95.2Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-61.7-41.6175.1168.40000111.4F31 Y48 I50 F55 D76 Q83 H84 V130F31-V80 HydrophobicContact CD1-CG1 3.81Å; F31-V80 HydrophobicContact CE1-CG1 3.71Å; F31-V80 HydrophobicContact CZ-CG1 4.37Å; Y48-V80 HydrophobicContact CD2-CG1 3.69Å; Y48-V80 HydrophobicContact CG-CG1 3.72Å; I50-V80 HydrophobicContact CB-CG2 4.37Å; I50-V80 HydrophobicContact CG2-CG2 3.73Å; F55-V80 HydrophobicContact CB-CG1 4.09Å; F55-V80 HydrophobicContact CD2-CG2 3.93Å; F55-V80 HydrophobicContact CG-CG2 4.43Å; D76-V80 WeakPolarHBondContact O-CG2 3.33Å; D76-V80 PolarHBondContact O-N 3.47Å; V80-Q83 WeakPolarHBondContact O-CB 3.32Å; V80-Q83 PolarHBondContact O-N 2.95Å; V80-H84 WeakPolarHBondContact O-CB 3.37Å; V80-H84 PolarHBondContact O-N 3.36Å; V80-V130 HydrophobicContact CG2-CG1 4.36Å
81A97.5Very high96.2Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-65.2-43.617800000112I12 N29 F31 V77 N78 V79 Q83 H84 A85I12-A81 HydrophobicContact CD1-CB 3.54Å; I12-A81 HydrophobicContact CG1-CB 4.42Å; N29-A81 VanDerWaalsContact OD1-CB 3.27Å; N29-A81 WeakPolarHBondContact OD1-CB 3.18Å; F31-A81 HydrophobicContact CD2-CB 4.42Å; F31-A81 HydrophobicContact CE2-CB 3.59Å; F31-A81 HydrophobicContact CZ-CB 4.06Å; V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3.25Å; N78-A81 PolarHBondContact O-N 3.23Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 3.47Å; A81-H84 PolarHBondContact O-N 2.98Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.97Å
82I98.5Very high96.7Very high4 Ų426.9 Ų26.92%0.02115%0.149CC..Hα-helixtrans-57.6-47.6173.5-70.8166.7000109.4I5 D7 I12 N78 V79 H84 A85 L86 V100 V126I5-I82 HydrophobicContact CD1-CG2 3.94Å; I5-I82 HydrophobicContact CG2-CG1 4.48Å; D7-I82 HydrophobicContact CB-CD1 4.2Å; D7-I82 HydrophobicContact CB-CG1 4.04Å; I12-I82 HydrophobicContact CD1-CB 4.44Å; I12-I82 HydrophobicContact CD1-CG1 3.85Å; N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.39Å; N78-I82 PolarHBondContact O-N 3.35Å; V79-I82 PolarHBondContact O-N 2.94Å; I82-H84 PolarHBondContact O-N 2.94Å; I82-A85 PolarHBondContact O-N 3.22Å; I82-L86 HydrophobicContact CG2-CD1 4.12Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 3.45Å; I82-V100 HydrophobicContact CD1-CG1 4.46Å; I82-V126 HydrophobicContact CD1-CG1 4.09Å; I82-V126 HydrophobicContact CD1-CG2 3.88Å
83Q98.4Very high97Very high7 Ų727.7 Ų27.73%0.03316%0.157CC..Hα-helixtrans-60.4-46.6178.4-175.166-2.200111.7Y48 V79 V80 A81 A85 L86 Q87 V130 V132Y48-Q83 HydrophobicContact CD1-CG 4.19Å; Y48-Q83 HydrophobicContact CE1-CG 4.12Å; V79-Q83 WeakPolarHBondContact O-CB 3.28Å; V79-Q83 PolarHBondContact O-N 3.48Å; V80-Q83 WeakPolarHBondContact O-CB 3.32Å; V80-Q83 PolarHBondContact O-N 2.95Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 3.47Å; Q83-A85 PolarHBondContact O-N 3.2Å; Q83-L86 PolarHBondContact O-N 2.81Å; Q83-Q87 VanDerWaalsContact O-CG 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.49Å; Q83-Q87 PolarHBondContact O-N 3.39Å; Q83-V130 HydrophobicContact CB-CB 4.26Å; Q83-V130 HydrophobicContact CB-CG1 4.16Å; Q83-V130 HydrophobicContact CB-CG2 4.39Å; Q83-V130 HydrophobicContact CG-CB 4.04Å; Q83-V130 HydrophobicContact CG-CG1 3.91Å; Q83-V132 HydrophobicContact CG-CG2 3.96Å
84H98.1Very high97.2Very high4 Ų430.5 Ų30.52%0.01917%0.17CC..Hα-helixtrans-57.9-48.3177.117867.3000111.4S27 F31 Y48 F57 V80 A81 I82 L86 Q87 Q88S27-H84 PolarHBondContact OG-CD2 3.31Å; F31-H84 HydrophobicContact CE1-CB 3.95Å; F31-H84 HydrophobicContact CZ-CB 3.65Å; F31-H84 AromaticContact CZ-CD2 3.83Å; F31-H84 AromaticContact CZ-CG 3.79Å; Y48-H84 HydrophobicContact CE1-CB 4.46Å; Y48-H84 HydrophobicContact CE2-CB 3.99Å; Y48-H84 AromaticContact CE2-ND1 3.77Å; Y48-H84 AromaticContact CZ-ND1 3.62Å; Y48-H84 WeakPolarHBondContact OH-CA 3.22Å; Y48-H84 PolarHBondContact OH-ND1 2.92Å; F57-H84 AromaticContact CD1-CE1 3.73Å; F57-H84 AromaticContact CD1-NE2 3.75Å; F57-H84 AromaticContact CD2-NE2 3.67Å; F57-H84 AromaticContact CE2-NE2 4Å; F57-H84 AromaticContact CG-CE1 3.61Å; F57-H84 AromaticContact CG-NE2 3.54Å; V80-H84 WeakPolarHBondContact O-CB 3.37Å; V80-H84 PolarHBondContact O-N 3.36Å; A81-H84 PolarHBondContact O-N 2.98Å; I82-H84 PolarHBondContact O-N 2.94Å; H84-L86 VanDerWaalsContact C-N 3.31Å; H84-L86 PolarHBondContact O-N 3.24Å; H84-Q87 WeakPolarHBondContact O-CB 3.49Å; H84-Q87 PolarHBondContact O-N 2.86Å; H84-Q87 VanDerWaalsContact O-N 3.09Å; H84-Q88 WeakPolarHBondContact O-CG 3.38Å; H84-Q88 PolarHBondContact O-N 3.11Å; H84-Q88 VanDerWaalsContact O-N 3.1Å
85A98.4Very high97.3Very high0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-58.5-42.6177.400000111.9I12 L14 A81 I82 Q83 Q87 Q88I12-A85 HydrophobicContact CB-CB 4.18Å; I12-A85 HydrophobicContact CG2-CB 3.82Å; L14-A85 HydrophobicContact CD1-CB 3.89Å; L14-A85 WeakPolarHBondContact CD1-O 3.2Å; L14-A85 HydrophobicContact CD2-CB 4.23Å; L14-A85 HydrophobicContact CG-CB 4.17Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.97Å; I82-A85 PolarHBondContact O-N 3.22Å; Q83-A85 PolarHBondContact O-N 3.2Å; A85-Q87 VanDerWaalsContact C-N 3.34Å; A85-Q87 PolarHBondContact O-N 2.7Å; A85-Q88 PolarHBondContact O-N 2.88Å; A85-Q88 VanDerWaalsContact O-N 3.14Å
86L98.5Very high97.4Very high0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-61.6-41.3175.3-69.4173.1000111.8I3 I5 L14 I82 Q83 H84 Q88 T89 V96 F138 I140I3-L86 HydrophobicContact CD1-CD2 3.42Å; I3-L86 VanDerWaalsContact CD1-CD2 3.42Å; I3-L86 HydrophobicContact CG2-CD2 4.06Å; I5-L86 HydrophobicContact CD1-CD2 4.5Å; L14-L86 HydrophobicContact CD1-CD2 4.36Å; I82-L86 HydrophobicContact CG2-CD1 4.12Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 3.45Å; Q83-L86 PolarHBondContact O-N 2.81Å; H84-L86 VanDerWaalsContact C-N 3.31Å; H84-L86 PolarHBondContact O-N 3.24Å; L86-Q88 PolarHBondContact O-N 3.2Å; L86-T89 WeakPolarHBondContact O-CB 3.47Å; L86-T89 WeakPolarHBondContact O-CG2 3.47Å; L86-T89 PolarHBondContact O-N 3.22Å; L86-T89 VanDerWaalsContact O-N 3.11Å; L86-T89 PolarHBondContact O-OG1 3.49Å; L86-V96 HydrophobicContact CD1-CG2 4.42Å; L86-F138 HydrophobicContact CB-CB 4.47Å; L86-F138 HydrophobicContact CB-CD1 4.49Å; L86-F138 HydrophobicContact CB-CD2 3.61Å; L86-F138 HydrophobicContact CB-CE2 3.9Å; L86-F138 HydrophobicContact CB-CG 3.94Å; L86-F138 HydrophobicContact CB-CZ 4.44Å; L86-F138 HydrophobicContact CD1-CB 3.91Å; L86-F138 HydrophobicContact CD1-CG 4.14Å; L86-F138 VanDerWaalsContact O-CE2 3.32Å; L86-F138 WeakPolarHBondContact O-CE2 3.3Å; L86-I140 HydrophobicContact CD1-CD1 3.84Å
87Q97.3Very high97.5Very high41 Ų4130.5 Ų30.519%0.19217%0.173CC..Hα-helixtrans-63.7-27.1176-63.9-65.4-2100112.6Q83 H84 A85 T89 V132 D136Q83-Q87 VanDerWaalsContact O-CG 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.49Å; Q83-Q87 PolarHBondContact O-N 3.39Å; H84-Q87 WeakPolarHBondContact O-CB 3.49Å; H84-Q87 PolarHBondContact O-N 2.86Å; H84-Q87 VanDerWaalsContact O-N 3.09Å; A85-Q87 VanDerWaalsContact C-N 3.34Å; A85-Q87 PolarHBondContact O-N 2.7Å; Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 2.87Å; Q87-V132 HydrophobicContact CG-CG2 4.42Å; Q87-D136 PolarHBondContact NE2-O 3.32Å
88Q96.6Very high97.6Very high100 Ų10030.2 Ų30.247%0.46717%0.172SC..THydrogen-bonded Turntrans-76.8-11.6176.1-60.1-51.9-62.800113.8L25 H84 A85 L86 G90L25-Q88 VanDerWaalsContact CD1-C 3.46Å; L25-Q88 HydrophobicContact CD1-CB 3.71Å; L25-Q88 WeakPolarHBondContact CD1-O 3.31Å; L25-Q88 HydrophobicContact CD2-CB 4.01Å; L25-Q88 HydrophobicContact CG-CB 4.5Å; H84-Q88 WeakPolarHBondContact O-CG 3.38Å; H84-Q88 PolarHBondContact O-N 3.11Å; H84-Q88 VanDerWaalsContact O-N 3.1Å; A85-Q88 PolarHBondContact O-N 2.88Å; A85-Q88 VanDerWaalsContact O-N 3.14Å; L86-Q88 PolarHBondContact O-N 3.2Å; Q88-G90 PolarHBondContact O-N 2.6Å
89T96.8Very high97.7Very high20 Ų2030.7 Ų30.712%0.12317%0.174CC..THydrogen-bonded Turntrans-67.2-18.5-178.662.40000113.9L14 W16 L86 Q87 L91L14-T89 HydrophobicContact CD1-CG2 3.54Å; W16-T89 HydrophobicContact CE3-CG2 4.39Å; W16-T89 HydrophobicContact CH2-CG2 3.82Å; W16-T89 HydrophobicContact CZ2-CG2 4.32Å; W16-T89 HydrophobicContact CZ3-CG2 3.86Å; L86-T89 WeakPolarHBondContact O-CB 3.47Å; L86-T89 WeakPolarHBondContact O-CG2 3.47Å; L86-T89 PolarHBondContact O-N 3.22Å; L86-T89 VanDerWaalsContact O-N 3.11Å; L86-T89 PolarHBondContact O-OG1 3.49Å; Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 2.87Å; T89-L91 PolarHBondContact O-N 3.05Å; T89-L91 WeakPolarHBondContact OG1-CB 3.44Å; T89-L91 WeakPolarHBondContact OG1-CG 3.3Å; T89-L91 PolarHBondContact OG1-N 3.01Å
90G94.8Very high97.7Very high74 Ų7430.4 Ų30.476%0.76317%0.172SC*.  trans74.6-3.7-170.300000113.9Q88Q88-G90 PolarHBondContact O-N 2.6Å
91L96.4Very high97.6Very high23 Ų2330.4 Ų30.412%0.1217%0.172CC..PPolyproline II helixtrans-68.7144173.6-62.8170.6000110M1 I3 E18 T89 A93 F138M1-L91 HydrophobicContact CE-CD1 4.36Å; M1-L91 HydrophobicContact CE-CD2 4.26Å; M1-L91 HydrophobicContact SD-CD1 3.6Å; M1-L91 VanDerWaalsContact SD-CD1 3.6Å; I3-L91 HydrophobicContact CD1-CD1 4.46Å; E18-L91 WeakPolarHBondContact OE1-CD2 3.48Å; T89-L91 PolarHBondContact O-N 3.05Å; T89-L91 WeakPolarHBondContact OG1-CB 3.44Å; T89-L91 WeakPolarHBondContact OG1-CG 3.3Å; T89-L91 PolarHBondContact OG1-N 3.01Å; L91-A93 PolarHBondContact O-N 3.1Å; L91-F138 HydrophobicContact CB-CE1 4.25Å; L91-F138 HydrophobicContact CB-CZ 3.98Å; L91-F138 WeakPolarHBondContact O-CZ 2.9Å
92K96.6Very high97.4Very high169 Ų16930.4 Ų30.474%0.73517%0.172SC*.PPolyproline II helixtrans-62.6130.5168.3-174.9177.2178.5178.60109.3Q94K92-Q94 WeakPolarHBondContact O-CG 3.4Å; K92-Q94 PolarHBondContact O-N 2.79Å; K92-Q94 PolarHBondContact O-NE2 2.87Å
93A97.7Very high96.9Very high22 Ų2230.9 Ų30.918%0.18218%0.176CC..PPolyproline II helixtrans-50125.1173.500000110.8L91 D136 F138L91-A93 PolarHBondContact O-N 3.1Å; A93-D136 HydrophobicContact CB-CB 3.8Å; A93-D136 VanDerWaalsContact CB-O 3.27Å; A93-D136 WeakPolarHBondContact CB-O 3.5Å; A93-F138 HydrophobicContact CB-CD2 4.28Å; A93-F138 HydrophobicContact CB-CE2 4.33Å
94Q97.6Very high96.5Very high68 Ų6830.7 Ų30.732%0.31818%0.175SC..  trans-158.3168.2-172.667.3-171.7-8500110.6K92 V96 F138 V139K92-Q94 WeakPolarHBondContact O-CG 3.4Å; K92-Q94 PolarHBondContact O-N 2.79Å; K92-Q94 PolarHBondContact O-NE2 2.87Å; Q94-V96 HydrophobicContact CG-CG1 4.02Å; Q94-V96 PolarHBondContact O-N 2.76Å; Q94-F138 HydrophobicContact CG-CE1 4.38Å; Q94-V139 PolarHBondContact O-N 2.78Å
95P98.2Very high96Very high70 Ų7033.3 Ų33.346%0.45519%0.194SC..EExtended strand (participates in β ladder)trans-63.5124.3169.2-23.635.3000112.5V139 R141P95-V139 CarbonylContact C-O 3.58Å; P95-V139 VanDerWaalsContact CA-O 3.27Å; P95-V139 WeakPolarHBondContact CA-O 3.45Å; P95-R141 HydrophobicContact CB-CB 4.43Å
96V98.3Very high95.6Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-125.6147.7-179.8-66.40000111.6I3 L86 Q94 V98 F138 V139 I140 R141I3-V96 HydrophobicContact CD1-CB 4.2Å; I3-V96 HydrophobicContact CD1-CG1 3.81Å; I3-V96 HydrophobicContact CG1-CG1 4.49Å; L86-V96 HydrophobicContact CD1-CG2 4.42Å; Q94-V96 HydrophobicContact CG-CG1 4.02Å; Q94-V96 PolarHBondContact O-N 2.76Å; V96-V98 HydrophobicContact CG2-CG1 3.99Å; V96-F138 HydrophobicContact CG1-CD1 3.88Å; V96-F138 HydrophobicContact CG1-CE1 4.32Å; V96-F138 HydrophobicContact CG2-CB 4.49Å; V96-F138 HydrophobicContact CG2-CD1 4.35Å; V96-V139 PolarHBondContact N-O 2.84Å; V96-I140 HydrophobicContact CG2-CD1 3.74Å; V96-R141 PolarHBondContact O-N 3.26Å
97D98.1Very high95.4Very high26 Ų2635.5 Ų35.514%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-97.5123.9167.1-57.9-43000107.8M1 K2 I3 R141 S142M1-D97 PolarHBondContact O-N 3.16Å; K2-D97 CarbonylContact C-O 3.59Å; K2-D97 VanDerWaalsContact CA-O 3.28Å; K2-D97 WeakPolarHBondContact CA-O 3.44Å; K2-D97 HydrophobicContact CG-CB 4.34Å; I3-D97 PolarHBondContact N-O 3.18Å; D97-R141 VanDerWaalsContact CG-NH2 3.33Å; D97-R141 IonicContact OD1-CZ 3.5Å; D97-R141 IonicContact OD1-NE 2.83Å; D97-R141 PolarHBondContact OD1-NE 3.46Å; D97-R141 IonicContact OD1-NH2 3.33Å; D97-R141 PolarHBondContact OD1-NH2 2.69Å; D97-R141 IonicContact OD2-CZ 3.58Å; D97-R141 IonicContact OD2-NE 3.73Å; D97-R141 IonicContact OD2-NH2 2.65Å; D97-R141 PolarHBondContact OD2-NH2 3.24Å; D97-S142 VanDerWaalsContact CB-OG 3.3Å; D97-S142 WeakPolarHBondContact CB-OG 3.27Å; D97-S142 PolarHBondContact OD1-OG 3.41Å
98V98.5Very high95.1Very high1 Ų134.3 Ų34.31%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-108.9142.5-177.9-590000111.3I3 I5 V96 V100 V126 I140 S142 V143 S144I3-V98 CarbonylContact O-C 3.54Å; I3-V98 WeakPolarHBondContact O-CA 3.44Å; I5-V98 HydrophobicContact CD1-CB 3.95Å; I5-V98 HydrophobicContact CD1-CG1 3.78Å; V96-V98 HydrophobicContact CG2-CG1 3.99Å; V98-V100 HydrophobicContact CB-CG1 4.29Å; V98-V100 HydrophobicContact CG2-CG1 3.99Å; V98-V126 HydrophobicContact CG2-CG1 3.89Å; V98-I140 HydrophobicContact CG1-CD1 3.83Å; V98-I140 HydrophobicContact CG2-CG2 3.65Å; V98-S142 PolarHBondContact N-O 3.31Å; V98-V143 HydrophobicContact CG2-CB 4.3Å; V98-V143 HydrophobicContact CG2-CG1 4.22Å; V98-V143 HydrophobicContact CG2-CG2 3.8Å; V98-V143 WeakPolarHBondContact O-CA 3.07Å; V98-S144 PolarHBondContact O-N 2.89Å
99I98.5Very high94.8Very high9 Ų932.3 Ų32.35%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-115.1105.2170.4-56.779.8000105.6K2 I3 F4 I5 S144 L146 M316K2-I99 HydrophobicContact CB-CD1 4.16Å; K2-I99 HydrophobicContact CD-CD1 4.44Å; K2-I99 HydrophobicContact CG-CD1 4.35Å; I3-I99 PolarHBondContact O-N 3Å; F4-I99 HydrophobicContact CD1-CB 3.71Å; F4-I99 HydrophobicContact CD1-CD1 3.87Å; F4-I99 HydrophobicContact CD1-CG1 3.93Å; F4-I99 HydrophobicContact CD1-CG2 4.17Å; F4-I99 HydrophobicContact CE1-CB 4.06Å; F4-I99 HydrophobicContact CE1-CD1 3.57Å; F4-I99 HydrophobicContact CE1-CG1 3.74Å; F4-I99 HydrophobicContact CE1-CG2 4.5Å; F4-I99 HydrophobicContact CZ-CD1 4.03Å; I5-I99 PolarHBondContact N-O 2.63Å; I99-S144 CarbonylContact C-O 3.57Å; I99-S144 WeakPolarHBondContact CA-O 3.07Å; I99-L146 HydrophobicContact CG2-CD1 3.7Å; I99-L146 HydrophobicContact CG2-CG 3.99Å; I99-M316 HydrophobicContact CG2-SD 4.1Å
100V98.2Very high94.4Very high0 Ų036.2 Ų36.20%023%0.225CC..EExtended strand (participates in β ladder)trans-105.3173.8-177-59.60000110.9I5 I82 V98 K122 V126 V143 S144 V145 L146I5-V100 HydrophobicContact CB-CG1 4.15Å; I5-V100 HydrophobicContact CD1-CG1 4.45Å; I5-V100 WeakPolarHBondContact O-CA 3.32Å; I82-V100 HydrophobicContact CD1-CG1 4.46Å; V98-V100 HydrophobicContact CB-CG1 4.29Å; V98-V100 HydrophobicContact CG2-CG1 3.99Å; V100-K122 HydrophobicContact CG2-CG 4.15Å; V100-V126 HydrophobicContact CG1-CG1 4.17Å; V100-V126 HydrophobicContact CG1-CG2 4.43Å; V100-V126 HydrophobicContact CG2-CG2 4.39Å; V100-V143 HydrophobicContact CG2-CG1 3.74Å; V100-S144 PolarHBondContact N-O 2.79Å; V100-V145 HydrophobicContact CG2-CG2 3.95Å; V100-V145 WeakPolarHBondContact O-CA 3.28Å; V100-L146 PolarHBondContact O-N 2.86Å
101T95.7Very high94Very high0 Ų038.5 Ų38.50%022%0.22CC..EExtended strand (participates in β ladder)trans-118165.3-179.455.40000113.2D7 L146 L312 M316D7-T101 PolarHBondContact OD1-N 2.92Å; D7-T101 VanDerWaalsContact OD1-N 3.1Å; D7-T101 PolarHBondContact OD1-OG1 2.69Å; T101-L146 CarbonylContact C-O 3.6Å; T101-L146 VanDerWaalsContact CA-O 3.22Å; T101-L146 WeakPolarHBondContact CA-O 3.29Å; T101-L312 HydrophobicContact CG2-CD1 4.46Å; T101-L312 HydrophobicContact CG2-CD2 4.13Å; T101-L312 HydrophobicContact CG2-CG 4.35Å; T101-M316 HydrophobicContact CG2-CE 3.88Å; T101-M316 HydrophobicContact CG2-SD 3.54Å; T101-M316 VanDerWaalsContact CG2-SD 3.54Å
102L93.2Very high93.5Very high0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-133.4145.4165.2-85.6177.8000108.1Q73 Y74 E106 H118 I119 K122 V145 L146 P147 E148Q73-L102 HydrophobicContact CB-CD2 3.92Å; Q73-L102 HydrophobicContact CG-CD2 4.19Å; Y74-L102 HydrophobicContact CE1-CD2 4.32Å; L102-E106 HydrophobicContact CB-CB 4.25Å; L102-E106 HydrophobicContact CD1-CB 4.39Å; L102-E106 HydrophobicContact CD2-CB 4.18Å; L102-H118 HydrophobicContact CD1-CB 4.38Å; L102-I119 HydrophobicContact CD1-CG1 4.37Å; L102-K122 HydrophobicContact CD1-CB 4.1Å; L102-K122 HydrophobicContact CD1-CG 4.45Å; L102-K122 HydrophobicContact CD2-CB 4.24Å; L102-K122 HydrophobicContact CD2-CD 3.98Å; L102-K122 HydrophobicContact CD2-CG 4.1Å; L102-K122 HydrophobicContact CG-CB 4.26Å; L102-K122 HydrophobicContact CG-CD 4.46Å; L102-K122 HydrophobicContact CG-CG 4.08Å; L102-V145 HydrophobicContact CB-CG1 4.26Å; L102-V145 HydrophobicContact CD1-CG1 3.92Å; L102-V145 HydrophobicContact CG-CG1 3.84Å; L102-L146 PolarHBondContact N-O 2.7Å; L102-P147 CarbonylContact O-C 3.56Å; L102-E148 WeakPolarHBondContact O-CG 3.17Å; L102-E148 PolarHBondContact O-N 2.81Å
103P89.6Confident93.2Very high15 Ų1538.8 Ų38.810%0.09723%0.226CC..  trans-48.5145.5167.4-27.835.2000110.4Q73 S105 E106 Y107 E148Q73-P103 HydrophobicContact CG-CG 4.25Å; P103-S105 PolarHBondContact O-N 3.2Å; P103-S105 VanDerWaalsContact O-N 3.14Å; P103-E106 HydrophobicContact CB-CB 4.5Å; P103-E106 HydrophobicContact CB-CG 4.38Å; P103-E106 HydrophobicContact CG-CG 4.48Å; P103-E106 WeakPolarHBondContact O-CA 3.48Å; P103-E106 PolarHBondContact O-N 3.02Å; P103-Y107 PolarHBondContact O-N 2.93Å; P103-E148 WeakPolarHBondContact CA-OE2 3.46Å; P103-E148 VanDerWaalsContact CD-OE1 3.31Å; P103-E148 WeakPolarHBondContact CD-OE1 3.49Å
104I88.7Confident93Very high2 Ų243.8 Ų43.81%0.0124%0.244CC..Hα-helixtrans-56.4-38.9-174.9-71.1-175.9000111.4E106 Y107 L108 P147 E148 I150 D177 S179 T191I104-E106 PolarHBondContact O-N 3.46Å; I104-Y107 PolarHBondContact O-N 3.3Å; I104-L108 HydrophobicContact CG2-CD1 3.93Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 PolarHBondContact O-N 2.94Å; I104-P147 HydrophobicContact CG1-CB 4.33Å; I104-E148 WeakPolarHBondContact CD1-O 3.38Å; I104-E148 WeakPolarHBondContact CG1-O 3.2Å; I104-I150 HydrophobicContact CD1-CD1 4.31Å; I104-I150 HydrophobicContact CD1-CG1 4.08Å; I104-D177 HydrophobicContact CD1-CB 4.32Å; I104-S179 WeakPolarHBondContact CD1-OG 3.48Å; I104-T191 HydrophobicContact CD1-CG2 4.39Å; I104-T191 HydrophobicContact CG2-CG2 3.85Å
105S87.4Confident93Very high59 Ų5942 Ų4241%0.41324%0.236SC..Hα-helixtrans-63.9-24176.952.80000114.3P103 C193P103-S105 PolarHBondContact O-N 3.2Å; P103-S105 VanDerWaalsContact O-N 3.14Å; S105-C193 PolarHBondContact OG-SG 3.29Å; S105-C193 VanDerWaalsContact OG-SG 3.32Å
106E90.7Very high92.9Very high32 Ų3246.4 Ų46.415%0.1525%0.248CC..Hα-helixtrans-92.6-28.7175.7-69.4-65.411200112.1T70 Y74 L102 P103 I104 H118T70-E106 HydrophobicContact CG2-CG 3.48Å; T70-E106 VanDerWaalsContact CG2-CG 3.48Å; T70-E106 WeakPolarHBondContact CG2-OE1 3.36Å; Y74-E106 VanDerWaalsContact CE2-OE2 3.28Å; Y74-E106 WeakPolarHBondContact CE2-OE2 3.25Å; Y74-E106 PolarHBondContact OH-OE2 3.28Å; L102-E106 HydrophobicContact CB-CB 4.25Å; L102-E106 HydrophobicContact CD1-CB 4.39Å; L102-E106 HydrophobicContact CD2-CB 4.18Å; P103-E106 HydrophobicContact CB-CB 4.5Å; P103-E106 HydrophobicContact CB-CG 4.38Å; P103-E106 HydrophobicContact CG-CG 4.48Å; P103-E106 WeakPolarHBondContact O-CA 3.48Å; P103-E106 PolarHBondContact O-N 3.02Å; I104-E106 PolarHBondContact O-N 3.46Å; E106-H118 VanDerWaalsContact O-CB 3.27Å; E106-H118 WeakPolarHBondContact O-CB 3.2Å; E106-H118 PolarHBondContact O-ND1 3.44Å; E106-H118 VanDerWaalsContact O-ND1 3.15Å; E106-H118 IonicContact OE1-CE1 3.87Å; E106-H118 IonicContact OE1-ND1 3.99Å; E106-H118 IonicContact OE2-CE1 3.44Å; E106-H118 PolarHBondContact OE2-CE1 2.85Å; E106-H118 IonicContact OE2-ND1 3.15Å; E106-H118 PolarHBondContact OE2-ND1 2.83Å; E106-H118 VanDerWaalsContact OE2-ND1 3.15Å
107Y93.5Very high92.9Very high15 Ų1554.1 Ų54.16%0.05928%0.284CS..Hα-helixtrans-81.1-36179.7-173.6-92000112.9P103 I104 K114 N115 I119 V145 P147P103-Y107 PolarHBondContact O-N 2.93Å; I104-Y107 PolarHBondContact O-N 3.3Å; Y107-K114 HydrophobicContact CE1-CD 4.37Å; Y107-K114 HydrophobicContact CE1-CG 3.93Å; Y107-K114 WeakPolarHBondContact OH-CD 3.45Å; Y107-K114 WeakPolarHBondContact OH-CE 3.38Å; Y107-K114 PolarHBondContact OH-NZ 3Å; Y107-N115 PolarHBondContact O-N 3.12Å; Y107-I119 HydrophobicContact CD2-CD1 3.85Å; Y107-I119 HydrophobicContact CD2-CG1 3.91Å; Y107-I119 HydrophobicContact CE2-CD1 3.57Å; Y107-I119 HydrophobicContact CE2-CG1 3.98Å; Y107-V145 HydrophobicContact CD2-CG1 4.17Å; Y107-V145 HydrophobicContact CE2-CG1 4.36Å; Y107-P147 HydrophobicContact CD1-CB 3.57Å; Y107-P147 HydrophobicContact CD1-CG 3.88Å; Y107-P147 HydrophobicContact CD2-CB 4.37Å; Y107-P147 HydrophobicContact CE1-CB 4.08Å; Y107-P147 HydrophobicContact CE1-CG 3.85Å; Y107-P147 HydrophobicContact CG-CB 3.73Å; Y107-P147 HydrophobicContact CG-CG 4.36Å
108L91.9Very high92.8Very high16 Ų1655.1 Ų55.18%0.08429%0.288CS..BIsolated β-bridgetrans-105.3140.9179.1-60.1-179.1000111.2I104 Q113 I188 T191I104-L108 HydrophobicContact CG2-CD1 3.93Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 PolarHBondContact O-N 2.94Å; L108-Q113 CarbonylContact C-O 3.51Å; L108-Q113 VanDerWaalsContact CA-O 3.31Å; L108-Q113 WeakPolarHBondContact CA-O 3.45Å; L108-I188 HydrophobicContact CD1-CD1 3.92Å; L108-T191 HydrophobicContact CD1-CG2 4.44Å
109D91.4Very high92.8Very high57 Ų5755.8 Ų55.831%0.30529%0.291SS..  trans-82.9180169.972.115.6000112N111 N112 Q113D109-N111 PolarHBondContact O-N 3.06Å; D109-N111 VanDerWaalsContact OD1-CA 3.32Å; D109-N111 WeakPolarHBondContact OD1-CA 3.38Å; D109-N111 WeakPolarHBondContact OD1-CB 3.21Å; D109-N111 PolarHBondContact OD1-N 3.14Å; D109-N112 PolarHBondContact O-N 2.86Å; D109-N112 PolarHBondContact OD1-N 2.81Å; D109-Q113 PolarHBondContact N-O 3.08Å; D109-Q113 PolarHBondContact OD1-N 2.87Å
110A86.4Confident92.8Very high103 Ų10360.3 Ų60.385%0.85131%0.312SS*.THydrogen-bonded Turntrans-61.6-14.918000000114.6
111N88.4Confident92.8Very high122 Ų12267 Ų6765%0.65234%0.338SS*.THydrogen-bonded Turntrans-102.815.5176.2-59.5-53.5000112.1D109 Q113D109-N111 PolarHBondContact O-N 3.06Å; D109-N111 VanDerWaalsContact OD1-CA 3.32Å; D109-N111 WeakPolarHBondContact OD1-CA 3.38Å; D109-N111 WeakPolarHBondContact OD1-CB 3.21Å; D109-N111 PolarHBondContact OD1-N 3.14Å; N111-Q113 HydrophobicContact CB-CG 4.25Å; N111-Q113 PolarHBondContact O-N 2.84Å; N111-Q113 PolarHBondContact O-NE2 3.31Å
112N85Confident92.9Very high78 Ų7867 Ų6742%0.41734%0.338SS..SBendtrans56.626.8-175.1-61.2-47.7000113.7D109D109-N112 PolarHBondContact O-N 2.86Å; D109-N112 PolarHBondContact OD1-N 2.81Å
113Q91.1Very high93.1Very high120 Ų12069.6 Ų69.656%0.56135%0.349SS*.  trans-96156.8172.2-55.7-53.4-58.100110.4L108 D109 N111 N115L108-Q113 CarbonylContact C-O 3.51Å; L108-Q113 VanDerWaalsContact CA-O 3.31Å; L108-Q113 WeakPolarHBondContact CA-O 3.45Å; D109-Q113 PolarHBondContact N-O 3.08Å; D109-Q113 PolarHBondContact OD1-N 2.87Å; N111-Q113 HydrophobicContact CB-CG 4.25Å; N111-Q113 PolarHBondContact O-N 2.84Å; N111-Q113 PolarHBondContact O-NE2 3.31Å; Q113-N115 PolarHBondContact O-N 3.32Å
114K93.2Very high93.5Very high127 Ų12776.6 Ų76.655%0.55238%0.378SS*.BIsolated β-bridgetrans-60.7121.8177-64.6-172.5-174.9-1690110.6Y107 K116 I119Y107-K114 HydrophobicContact CE1-CD 4.37Å; Y107-K114 HydrophobicContact CE1-CG 3.93Å; Y107-K114 WeakPolarHBondContact OH-CD 3.45Å; Y107-K114 WeakPolarHBondContact OH-CE 3.38Å; Y107-K114 PolarHBondContact OH-NZ 3Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.02Å; K114-I119 HydrophobicContact CB-CD1 3.95Å
115N96.3Very high94Very high30 Ų3077 Ų7716%0.1638%0.38CS..  trans-74.589.3171.7-172.7-24000109.9Y107 Q113 Q117 H118 I119Y107-N115 PolarHBondContact O-N 3.12Å; Q113-N115 PolarHBondContact O-N 3.32Å; N115-Q117 PolarHBondContact O-N 2.93Å; N115-Q117 PolarHBondContact OD1-N 3.25Å; N115-H118 HydrophobicContact CB-CB 4.16Å; N115-H118 VanDerWaalsContact CG-CG 3.46Å; N115-H118 PolarHBondContact ND2-CD2 2.84Å; N115-H118 VanDerWaalsContact ND2-CD2 3.27Å; N115-H118 PolarHBondContact ND2-CE1 2.85Å; N115-H118 VanDerWaalsContact ND2-CE1 3.32Å; N115-H118 PolarHBondContact ND2-ND1 2.95Å; N115-H118 PolarHBondContact ND2-NE2 3.09Å; N115-H118 PolarHBondContact O-N 2.88Å; N115-H118 PolarHBondContact OD1-N 3.08Å; N115-H118 VanDerWaalsContact OD1-N 3.09Å; N115-I119 VanDerWaalsContact O-CG1 3.31Å; N115-I119 WeakPolarHBondContact O-CG1 3.26Å; N115-I119 PolarHBondContact O-N 2.96Å
116K96.7Very high94.5Very high163 Ų16374.3 Ų74.371%0.70936%0.361SS*.Hα-helixtrans-58.6-34-178.2-65.1-178.7-177.8176.20112.4K114 E120K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.02Å; K116-E120 WeakPolarHBondContact O-CB 3.4Å; K116-E120 VanDerWaalsContact O-CG 3.31Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.41Å
117Q97.4Very high94.9Very high161 Ų16177.8 Ų77.875%0.75238%0.378SS*.Hα-helixtrans-67.4-46.4-179.5-65.2-1784.800111.3N115 E120 R121N115-Q117 PolarHBondContact O-N 2.93Å; N115-Q117 PolarHBondContact OD1-N 3.25Å; Q117-E120 PolarHBondContact O-N 2.83Å; Q117-R121 VanDerWaalsContact O-CB 3.31Å; Q117-R121 WeakPolarHBondContact O-CB 3.48Å; Q117-R121 PolarHBondContact O-N 2.84Å
118H97.1Very high95.1Very high48 Ų4879.8 Ų79.822%0.22239%0.386CS..Hα-helixtrans-65.5-41.9177.4-71.8-163000111.5Y74 L102 E106 N115 R121 K122Y74-H118 WeakPolarHBondContact OH-CB 3Å; L102-H118 HydrophobicContact CD1-CB 4.38Å; E106-H118 VanDerWaalsContact O-CB 3.27Å; E106-H118 WeakPolarHBondContact O-CB 3.2Å; E106-H118 PolarHBondContact O-ND1 3.44Å; E106-H118 VanDerWaalsContact O-ND1 3.15Å; E106-H118 IonicContact OE1-CE1 3.87Å; E106-H118 IonicContact OE1-ND1 3.99Å; E106-H118 IonicContact OE2-CE1 3.44Å; E106-H118 PolarHBondContact OE2-CE1 2.85Å; E106-H118 IonicContact OE2-ND1 3.15Å; E106-H118 PolarHBondContact OE2-ND1 2.83Å; E106-H118 VanDerWaalsContact OE2-ND1 3.15Å; N115-H118 HydrophobicContact CB-CB 4.16Å; N115-H118 VanDerWaalsContact CG-CG 3.46Å; N115-H118 PolarHBondContact ND2-CD2 2.84Å; N115-H118 VanDerWaalsContact ND2-CD2 3.27Å; N115-H118 PolarHBondContact ND2-CE1 2.85Å; N115-H118 VanDerWaalsContact ND2-CE1 3.32Å; N115-H118 PolarHBondContact ND2-ND1 2.95Å; N115-H118 PolarHBondContact ND2-NE2 3.09Å; N115-H118 PolarHBondContact O-N 2.88Å; N115-H118 PolarHBondContact OD1-N 3.08Å; N115-H118 VanDerWaalsContact OD1-N 3.09Å; H118-R121 WeakPolarHBondContact O-CB 3.44Å; H118-R121 PolarHBondContact O-N 3.44Å; H118-K122 WeakPolarHBondContact O-CB 3.46Å; H118-K122 PolarHBondContact O-N 3.29Å
119I98Very high95.4Very high14 Ų1486 Ų867%0.07241%0.414CS..Hα-helixtrans-60.9-47.3176.7-69.7165000111.3L102 Y107 K114 N115 K122 K123 V145L102-I119 HydrophobicContact CD1-CG1 4.37Å; Y107-I119 HydrophobicContact CD2-CD1 3.85Å; Y107-I119 HydrophobicContact CD2-CG1 3.91Å; Y107-I119 HydrophobicContact CE2-CD1 3.57Å; Y107-I119 HydrophobicContact CE2-CG1 3.98Å; K114-I119 HydrophobicContact CB-CD1 3.95Å; N115-I119 VanDerWaalsContact O-CG1 3.31Å; N115-I119 WeakPolarHBondContact O-CG1 3.26Å; N115-I119 PolarHBondContact O-N 2.96Å; I119-K122 PolarHBondContact O-N 3.47Å; I119-K123 HydrophobicContact CG2-CD 4.5Å; I119-K123 WeakPolarHBondContact O-CG 3.36Å; I119-K123 PolarHBondContact O-N 2.9Å; I119-V145 HydrophobicContact CG1-CG1 4.48Å; I119-V145 HydrophobicContact CG2-CB 4.05Å; I119-V145 HydrophobicContact CG2-CG2 4.12Å
120E98.2Very high95.7Very high105 Ų10583.7 Ų83.749%0.49140%0.402SS..Hα-helixtrans-68.1-36177.9-68.3-51126.900112.1K116 Q117 K122 K123 K124K116-E120 WeakPolarHBondContact O-CB 3.4Å; K116-E120 VanDerWaalsContact O-CG 3.31Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.41Å; Q117-E120 PolarHBondContact O-N 2.83Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.3Å; E120-K123 PolarHBondContact O-N 3.15Å; E120-K123 IonicContact OE1-NZ 2.73Å; E120-K123 PolarHBondContact OE1-NZ 3.09Å; E120-K123 IonicContact OE2-NZ 3.96Å; E120-K124 WeakPolarHBondContact O-CB 3.31Å; E120-K124 PolarHBondContact O-N 3.45Å
121R98Very high96.3Very high141 Ų14186.1 Ų86.153%0.53239%0.389SS..Hα-helixtrans-60.5-43.9172.2-174.5-176.6176.8-173.3-1.7111.3Y74 Q117 H118 K124 N125Y74-R121 HydrophobicContact CD1-CB 4.29Å; Y74-R121 HydrophobicContact CD1-CG 3.67Å; Y74-R121 HydrophobicContact CE1-CB 4.19Å; Y74-R121 HydrophobicContact CE1-CG 4.01Å; Y74-R121 HydrophobicContact CG-CG 4.35Å; Q117-R121 VanDerWaalsContact O-CB 3.31Å; Q117-R121 WeakPolarHBondContact O-CB 3.48Å; Q117-R121 PolarHBondContact O-N 2.84Å; H118-R121 WeakPolarHBondContact O-CB 3.44Å; H118-R121 PolarHBondContact O-N 3.44Å; R121-K124 PolarHBondContact O-N 2.95Å; R121-N125 PolarHBondContact O-N 3Å
122K98.1Very high96.7Very high0 Ų081.3 Ų81.30%037%0.365CS..Hα-helixtrans-61.5-48.8176.5179.462.6176.2-174.40111.4D7 Q73 Y74 N78 V100 L102 H118 I119 E120 K124 N125 V126 V145D7-K122 VanDerWaalsContact OD2-CE 3.28Å; D7-K122 WeakPolarHBondContact OD2-CE 3.48Å; D7-K122 IonicContact OD2-NZ 3.39Å; D7-K122 PolarHBondContact OD2-NZ 3.31Å; Q73-K122 WeakPolarHBondContact O-CD 3.49Å; Q73-K122 PolarHBondContact O-NZ 3.46Å; Y74-K122 HydrophobicContact CE1-CB 4.26Å; N78-K122 PolarHBondContact ND2-NZ 2.87Å; N78-K122 PolarHBondContact OD1-NZ 3.21Å; V100-K122 HydrophobicContact CG2-CG 4.15Å; L102-K122 HydrophobicContact CD1-CB 4.1Å; L102-K122 HydrophobicContact CD1-CG 4.45Å; L102-K122 HydrophobicContact CD2-CB 4.24Å; L102-K122 HydrophobicContact CD2-CD 3.98Å; L102-K122 HydrophobicContact CD2-CG 4.1Å; L102-K122 HydrophobicContact CG-CB 4.26Å; L102-K122 HydrophobicContact CG-CD 4.46Å; L102-K122 HydrophobicContact CG-CG 4.08Å; H118-K122 WeakPolarHBondContact O-CB 3.46Å; H118-K122 PolarHBondContact O-N 3.29Å; I119-K122 PolarHBondContact O-N 3.47Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.3Å; K122-K124 VanDerWaalsContact C-N 3.35Å; K122-K124 PolarHBondContact O-N 3.07Å; K122-N125 WeakPolarHBondContact O-CB 3.23Å; K122-N125 PolarHBondContact O-N 2.9Å; K122-N125 VanDerWaalsContact O-N 3.16Å; K122-V126 HydrophobicContact CD-CG2 4.05Å; K122-V126 HydrophobicContact CG-CG2 4.48Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 2.96Å; K122-V145 HydrophobicContact CB-CG2 4.24Å; K122-V145 HydrophobicContact CG-CG1 4.31Å; K122-V145 HydrophobicContact CG-CG2 3.94Å
123K98.6Very high97.2Very high54 Ų5481 Ų8124%0.23536%0.36CS..Hα-helixtrans-56.5-48.4176.2-69.5175.7-176.5170.50111.8I119 E120 N125 V126 M127 V143 V145I119-K123 HydrophobicContact CG2-CD 4.5Å; I119-K123 WeakPolarHBondContact O-CG 3.36Å; I119-K123 PolarHBondContact O-N 2.9Å; E120-K123 PolarHBondContact O-N 3.15Å; E120-K123 IonicContact OE1-NZ 2.73Å; E120-K123 PolarHBondContact OE1-NZ 3.09Å; E120-K123 IonicContact OE2-NZ 3.96Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 3.37Å; K123-V126 PolarHBondContact O-N 3.43Å; K123-M127 WeakPolarHBondContact O-CB 3.33Å; K123-M127 VanDerWaalsContact O-CG 3.28Å; K123-M127 WeakPolarHBondContact O-CG 3.49Å; K123-M127 PolarHBondContact O-N 3.33Å; K123-V143 HydrophobicContact CB-CB 4.22Å; K123-V143 HydrophobicContact CB-CG1 4.35Å; K123-V143 HydrophobicContact CG-CB 4Å; K123-V143 HydrophobicContact CG-CG1 3.93Å; K123-V145 HydrophobicContact CG-CG2 3.77Å
124K98.3Very high97.2Very high162 Ų16278.9 Ų78.970%0.70437%0.371SS*.Hα-helixtrans-60-40.7177.8-173-178.5178.2-175.60111.7E120 R121 K122E120-K124 WeakPolarHBondContact O-CB 3.31Å; E120-K124 PolarHBondContact O-N 3.45Å; R121-K124 PolarHBondContact O-N 2.95Å; K122-K124 VanDerWaalsContact C-N 3.35Å; K122-K124 PolarHBondContact O-N 3.07Å
125N98.3Very high97.2Very high11 Ų1175.6 Ų75.66%0.05936%0.364CS..Hα-helixtrans-62.4-52.1177.5-168.852.4000111.4Q73 Y74 S75 V79 R121 K122 K123 M127 R128Q73-N125 PolarHBondContact O-ND2 2.95Å; Y74-N125 WeakPolarHBondContact CA-ND2 3.34Å; Y74-N125 PolarHBondContact O-OD1 3.49Å; S75-N125 PolarHBondContact O-ND2 3.48Å; V79-N125 WeakPolarHBondContact CG2-ND2 3.32Å; V79-N125 WeakPolarHBondContact CG2-O 3.48Å; R121-N125 PolarHBondContact O-N 3Å; K122-N125 WeakPolarHBondContact O-CB 3.23Å; K122-N125 PolarHBondContact O-N 2.9Å; K122-N125 VanDerWaalsContact O-N 3.16Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 3.37Å; N125-M127 VanDerWaalsContact C-N 3.25Å; N125-M127 PolarHBondContact O-N 3.43Å; N125-R128 WeakPolarHBondContact O-CB 3.27Å; N125-R128 WeakPolarHBondContact O-CD 3.02Å; N125-R128 VanDerWaalsContact O-CG 3.32Å; N125-R128 WeakPolarHBondContact O-CG 3.46Å; N125-R128 PolarHBondContact O-N 2.87Å; N125-R128 VanDerWaalsContact O-N 3.11Å; N125-R128 PolarHBondContact OD1-NH1 3.42Å
126V98.5Very high97.2Very high1 Ų180 Ų801%0.00639%0.388CS..Hα-helixtrans-66.7-25.3-176176.80000112.7I82 V98 V100 K122 K123 R128 I140 V143I82-V126 HydrophobicContact CD1-CG1 4.09Å; I82-V126 HydrophobicContact CD1-CG2 3.88Å; V98-V126 HydrophobicContact CG2-CG1 3.89Å; V100-V126 HydrophobicContact CG1-CG1 4.17Å; V100-V126 HydrophobicContact CG1-CG2 4.43Å; V100-V126 HydrophobicContact CG2-CG2 4.39Å; K122-V126 HydrophobicContact CD-CG2 4.05Å; K122-V126 HydrophobicContact CG-CG2 4.48Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 2.96Å; K123-V126 PolarHBondContact O-N 3.43Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.12Å; V126-I140 HydrophobicContact CG1-CG2 4.33Å; V126-V143 HydrophobicContact CB-CG1 4.31Å; V126-V143 HydrophobicContact CB-CG2 4.06Å; V126-V143 HydrophobicContact CG1-CG1 4.32Å; V126-V143 HydrophobicContact CG1-CG2 3.83Å
127M98.2Very high97.2Very high105 Ų10573.8 Ų73.852%0.51737%0.367SS..THydrogen-bonded Turntrans-79.4-2.3175.7-70.7-176.8-3.900114.5K123 N125 I140 V143K123-M127 WeakPolarHBondContact O-CB 3.33Å; K123-M127 VanDerWaalsContact O-CG 3.28Å; K123-M127 WeakPolarHBondContact O-CG 3.49Å; K123-M127 PolarHBondContact O-N 3.33Å; N125-M127 VanDerWaalsContact C-N 3.25Å; N125-M127 PolarHBondContact O-N 3.43Å; M127-I140 HydrophobicContact CG-CG2 4.47Å; M127-V143 HydrophobicContact CG-CG2 3.57Å; M127-V143 HydrophobicContact SD-CG2 4.45Å
128R98.3Very high97.3Very high57 Ų5766.5 Ų66.522%0.21533%0.333CS..SBendtrans-65.6144.6178.6-70.6164.767.4-157.10.4110.6I50 D51 D76 V79 N125 V126I50-R128 HydrophobicContact CD1-CB 4.08Å; D51-R128 IonicContact OD2-CZ 2.67Å; D51-R128 IonicContact OD2-NE 3.82Å; D51-R128 PolarHBondContact OD2-NE 3.12Å; D51-R128 IonicContact OD2-NH2 2.8Å; D51-R128 PolarHBondContact OD2-NH2 3.23Å; D76-R128 IonicContact OD1-CZ 3.78Å; D76-R128 IonicContact OD1-NH1 2.63Å; D76-R128 PolarHBondContact OD1-NH1 3.43Å; D76-R128 IonicContact OD1-NH2 2.6Å; D76-R128 PolarHBondContact OD1-NH2 3.31Å; D76-R128 IonicContact OD2-NH2 3.17Å; V79-R128 HydrophobicContact CG1-CB 4.36Å; N125-R128 WeakPolarHBondContact O-CB 3.27Å; N125-R128 WeakPolarHBondContact O-CD 3.02Å; N125-R128 VanDerWaalsContact O-CG 3.32Å; N125-R128 WeakPolarHBondContact O-CG 3.46Å; N125-R128 PolarHBondContact O-N 2.87Å; N125-R128 VanDerWaalsContact O-N 3.11Å; N125-R128 PolarHBondContact OD1-NH1 3.42Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.12Å
129E97.6Very high97.3Very high146 Ų14668.4 Ų68.468%0.68235%0.347SS*.  trans-76133.6-179.3-170.1-178.6160.400110.6
130V98.2Very high97.4Very high9 Ų969 Ų696%0.05535%0.35CS..  trans-121.6128174.2-177.90000108.4Y48 E49 I50 V79 V80 Q83 A137Y48-V130 HydrophobicContact CD1-CG1 4Å; Y48-V130 HydrophobicContact CG-CG1 4.45Å; E49-V130 WeakPolarHBondContact O-CA 3.42Å; I50-V130 HydrophobicContact CB-CG2 4.32Å; I50-V130 HydrophobicContact CD1-CG2 3.93Å; I50-V130 HydrophobicContact CG1-CG2 4.34Å; V79-V130 HydrophobicContact CB-CG2 4.36Å; V79-V130 HydrophobicContact CG1-CG2 3.59Å; V80-V130 HydrophobicContact CG2-CG1 4.36Å; Q83-V130 HydrophobicContact CB-CB 4.26Å; Q83-V130 HydrophobicContact CB-CG1 4.16Å; Q83-V130 HydrophobicContact CB-CG2 4.39Å; Q83-V130 HydrophobicContact CG-CB 4.04Å; Q83-V130 HydrophobicContact CG-CG1 3.91Å; V130-A137 WeakPolarHBondContact O-CB 3.45Å
131R97.9Very high97.4Very high154 Ų15471.4 Ų71.458%0.58136%0.355SS*.EExtended strand (participates in β ladder)trans-88.2139.3170.7-63.5177.2177166.6-4.6109.7Y48 E49Y48-R131 VanDerWaalsContact CA-O 3.3Å; Y48-R131 WeakPolarHBondContact CA-O 3.16Å; E49-R131 HydrophobicContact CB-CB 4.28Å; E49-R131 PolarHBondContact N-O 3.27Å; E49-R131 PolarHBondContact O-N 3.24Å; E49-R131 IonicContact OE1-NH1 2.92Å; E49-R131 PolarHBondContact OE1-NH1 3.07Å
132V97.5Very high97.4Very high22 Ų2266.9 Ų66.913%0.13335%0.345CS..EExtended strand (participates in β ladder)trans-111.3132.7176.6-172.10000108.2Y48 Q83 Q87 G134 S135 A137Y48-V132 HydrophobicContact CD1-CB 4.47Å; Y48-V132 HydrophobicContact CD1-CG1 4.34Å; Y48-V132 HydrophobicContact CD1-CG2 3.93Å; Y48-V132 HydrophobicContact CE1-CB 4.39Å; Y48-V132 HydrophobicContact CE1-CG1 3.89Å; Y48-V132 HydrophobicContact CE1-CG2 3.84Å; Q83-V132 HydrophobicContact CG-CG2 3.96Å; Q87-V132 HydrophobicContact CG-CG2 4.42Å; V132-G134 PolarHBondContact O-N 3Å; V132-S135 VanDerWaalsContact CG1-OG 3.26Å; V132-S135 WeakPolarHBondContact CG1-OG 3.21Å; V132-A137 HydrophobicContact CG2-CB 4.05Å
133Q95.2Very high97.4Very high70 Ų7067.5 Ų67.533%0.32735%0.348SS..THydrogen-bonded Turntrans-69.8126.9177.4-170.8-174.123.300110.5A44 N47 S135A44-Q133 HydrophobicContact CB-CG 4.18Å; N47-Q133 HydrophobicContact CB-CB 3.79Å; N47-Q133 PolarHBondContact ND2-OE1 2.83Å; N47-Q133 PolarHBondContact O-N 2.78Å; Q133-S135 VanDerWaalsContact C-N 3.27Å; Q133-S135 PolarHBondContact O-N 2.88Å
134G92.1Very high97.4Very high76 Ų7667.8 Ų67.878%0.78436%0.357SS*.THydrogen-bonded Turntrans782.4171.700000115.4V132V132-G134 PolarHBondContact O-N 3Å
135S92.6Very high97.3Very high59 Ų5960.7 Ų60.741%0.41333%0.327SS..BIsolated β-bridgetrans-151.4168176.968.90000112.8V132 Q133V132-S135 VanDerWaalsContact CG1-OG 3.26Å; V132-S135 WeakPolarHBondContact CG1-OG 3.21Å; Q133-S135 VanDerWaalsContact C-N 3.27Å; Q133-S135 PolarHBondContact O-N 2.88Å
136D96.4Very high97.2Very high122 Ų12260.8 Ų60.865%0.65233%0.328SS*.PPolyproline II helixtrans-73.3144.3173.2-68.8-36.5000111.4Q87 A93Q87-D136 PolarHBondContact NE2-O 3.32Å; A93-D136 HydrophobicContact CB-CB 3.8Å; A93-D136 VanDerWaalsContact CB-O 3.27Å; A93-D136 WeakPolarHBondContact CB-O 3.5Å
137A97.7Very high97Very high32 Ų3261.4 Ų61.426%0.26433%0.332SS..PPolyproline II helixtrans-84142.5173.300000111.7V130 V132V130-A137 WeakPolarHBondContact O-CB 3.45Å; V132-A137 HydrophobicContact CG2-CB 4.05Å
138F98.5Very high96.7Very high9 Ų957.3 Ų57.34%0.03931%0.311CS..PPolyproline II helixtrans-59.2139.2159.7-73.4-95.7000110.2L86 L91 A93 Q94 V96L86-F138 HydrophobicContact CB-CB 4.47Å; L86-F138 HydrophobicContact CB-CD1 4.49Å; L86-F138 HydrophobicContact CB-CD2 3.61Å; L86-F138 HydrophobicContact CB-CE2 3.9Å; L86-F138 HydrophobicContact CB-CG 3.94Å; L86-F138 HydrophobicContact CB-CZ 4.44Å; L86-F138 HydrophobicContact CD1-CB 3.91Å; L86-F138 HydrophobicContact CD1-CG 4.14Å; L86-F138 VanDerWaalsContact O-CE2 3.32Å; L86-F138 WeakPolarHBondContact O-CE2 3.3Å; L91-F138 HydrophobicContact CB-CE1 4.25Å; L91-F138 HydrophobicContact CB-CZ 3.98Å; L91-F138 WeakPolarHBondContact O-CZ 2.9Å; A93-F138 HydrophobicContact CB-CD2 4.28Å; A93-F138 HydrophobicContact CB-CE2 4.33Å; Q94-F138 HydrophobicContact CG-CE1 4.38Å; V96-F138 HydrophobicContact CG1-CD1 3.88Å; V96-F138 HydrophobicContact CG1-CE1 4.32Å; V96-F138 HydrophobicContact CG2-CB 4.49Å; V96-F138 HydrophobicContact CG2-CD1 4.35Å
139V98.1Very high96.4Very high87 Ų8754.6 Ų54.653%0.52730%0.301SS..EExtended strand (participates in β ladder)trans-103.3117.7176.1177.90000108.3Q94 P95 V96 R141Q94-V139 PolarHBondContact O-N 2.78Å; P95-V139 CarbonylContact C-O 3.58Å; P95-V139 VanDerWaalsContact CA-O 3.27Å; P95-V139 WeakPolarHBondContact CA-O 3.45Å; V96-V139 PolarHBondContact N-O 2.84Å; V139-R141 PolarHBondContact O-N 3.27Å; V139-R141 VanDerWaalsContact O-N 3.12Å
140I98.5Very high96.2Very high26 Ų2648 Ų4813%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-77.2102176.5-52.5-52.4000109L86 V96 V98 V126 M127 V143L86-I140 HydrophobicContact CD1-CD1 3.84Å; V96-I140 HydrophobicContact CG2-CD1 3.74Å; V98-I140 HydrophobicContact CG1-CD1 3.83Å; V98-I140 HydrophobicContact CG2-CG2 3.65Å; V126-I140 HydrophobicContact CG1-CG2 4.33Å; M127-I140 HydrophobicContact CG-CG2 4.47Å; I140-V143 HydrophobicContact CG2-CG2 3.53Å
141R98.2Very high96.1Very high156 Ų15647.6 Ų47.659%0.58927%0.268SS*.EExtended strand (participates in β ladder)trans-76.4-39.8-177.8179.9175.967.4-178.44.3112.3P95 V96 D97 V139P95-R141 HydrophobicContact CB-CB 4.43Å; V96-R141 PolarHBondContact O-N 3.26Å; D97-R141 VanDerWaalsContact CG-NH2 3.33Å; D97-R141 IonicContact OD1-CZ 3.5Å; D97-R141 IonicContact OD1-NE 2.83Å; D97-R141 PolarHBondContact OD1-NE 3.46Å; D97-R141 IonicContact OD1-NH2 3.33Å; D97-R141 PolarHBondContact OD1-NH2 2.69Å; D97-R141 IonicContact OD2-CZ 3.58Å; D97-R141 IonicContact OD2-NE 3.73Å; D97-R141 IonicContact OD2-NH2 2.65Å; D97-R141 PolarHBondContact OD2-NH2 3.24Å; V139-R141 PolarHBondContact O-N 3.27Å; V139-R141 VanDerWaalsContact O-N 3.12Å
142S98.1Very high96.1Very high46 Ų4640.6 Ų40.632%0.32224%0.243SC..EExtended strand (participates in β ladder)trans-150.8153.1178.170.70000111.4D97 V98D97-S142 VanDerWaalsContact CB-OG 3.3Å; D97-S142 WeakPolarHBondContact CB-OG 3.27Å; D97-S142 PolarHBondContact OD1-OG 3.41Å; V98-S142 PolarHBondContact N-O 3.31Å
143V98.6Very high96Very high13 Ų1339.5 Ų39.58%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-128.2124.3-179.8-174.70000110.2V98 V100 K123 V126 M127 I140 V145V98-V143 HydrophobicContact CG2-CB 4.3Å; V98-V143 HydrophobicContact CG2-CG1 4.22Å; V98-V143 HydrophobicContact CG2-CG2 3.8Å; V98-V143 WeakPolarHBondContact O-CA 3.07Å; V100-V143 HydrophobicContact CG2-CG1 3.74Å; K123-V143 HydrophobicContact CB-CB 4.22Å; K123-V143 HydrophobicContact CB-CG1 4.35Å; K123-V143 HydrophobicContact CG-CB 4Å; K123-V143 HydrophobicContact CG-CG1 3.93Å; V126-V143 HydrophobicContact CB-CG1 4.31Å; V126-V143 HydrophobicContact CB-CG2 4.06Å; V126-V143 HydrophobicContact CG1-CG1 4.32Å; V126-V143 HydrophobicContact CG1-CG2 3.83Å; M127-V143 HydrophobicContact CG-CG2 3.57Å; M127-V143 HydrophobicContact SD-CG2 4.45Å; I140-V143 HydrophobicContact CG2-CG2 3.53Å; V143-V145 HydrophobicContact CG1-CG2 4.24Å
144S98Very high96.1Very high60 Ų6038.6 Ų38.642%0.4223%0.232SC..EExtended strand (participates in β ladder)trans-108144.9162.9-65.70000109.6V98 I99 V100V98-S144 PolarHBondContact O-N 2.89Å; I99-S144 CarbonylContact C-O 3.57Å; I99-S144 WeakPolarHBondContact CA-O 3.07Å; V100-S144 PolarHBondContact N-O 2.79Å
145V97.9Very high96.2Very high13 Ų1337.1 Ų37.18%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-119.6132.5-179.2-173.50000109.1V100 L102 Y107 I119 K122 K123 V143V100-V145 HydrophobicContact CG2-CG2 3.95Å; V100-V145 WeakPolarHBondContact O-CA 3.28Å; L102-V145 HydrophobicContact CB-CG1 4.26Å; L102-V145 HydrophobicContact CD1-CG1 3.92Å; L102-V145 HydrophobicContact CG-CG1 3.84Å; Y107-V145 HydrophobicContact CD2-CG1 4.17Å; Y107-V145 HydrophobicContact CE2-CG1 4.36Å; I119-V145 HydrophobicContact CG1-CG1 4.48Å; I119-V145 HydrophobicContact CG2-CB 4.05Å; I119-V145 HydrophobicContact CG2-CG2 4.12Å; K122-V145 HydrophobicContact CB-CG2 4.24Å; K122-V145 HydrophobicContact CG-CG1 4.31Å; K122-V145 HydrophobicContact CG-CG2 3.94Å; K123-V145 HydrophobicContact CG-CG2 3.77Å; V143-V145 HydrophobicContact CG1-CG2 4.24Å
146L96Very high96.4Very high14 Ų1435.4 Ų35.47%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-119.5158.4173.2-67.1178.9000110I99 V100 T101 L102 P151 M316 K320I99-L146 HydrophobicContact CG2-CD1 3.7Å; I99-L146 HydrophobicContact CG2-CG 3.99Å; V100-L146 PolarHBondContact O-N 2.86Å; T101-L146 CarbonylContact C-O 3.6Å; T101-L146 VanDerWaalsContact CA-O 3.22Å; T101-L146 WeakPolarHBondContact CA-O 3.29Å; L102-L146 PolarHBondContact N-O 2.7Å; L146-P151 HydrophobicContact CB-CG 4.28Å; L146-M316 HydrophobicContact CB-SD 4.42Å; L146-M316 HydrophobicContact CD1-CB 4.25Å; L146-M316 HydrophobicContact CD1-CG 3.68Å; L146-M316 HydrophobicContact CD1-SD 3.92Å; L146-K320 HydrophobicContact CD1-CG 4.28Å
147P93.3Very high96.4Very high13 Ų1329.6 Ų29.68%0.08417%0.165CC..EExtended strand (participates in β ladder)trans-70.4148.6169.827.9-28.8000110.4L102 I104 Y107 I150 P151L102-P147 CarbonylContact O-C 3.56Å; I104-P147 HydrophobicContact CG1-CB 4.33Å; Y107-P147 HydrophobicContact CD1-CB 3.57Å; Y107-P147 HydrophobicContact CD1-CG 3.88Å; Y107-P147 HydrophobicContact CD2-CB 4.37Å; Y107-P147 HydrophobicContact CE1-CB 4.08Å; Y107-P147 HydrophobicContact CE1-CG 3.85Å; Y107-P147 HydrophobicContact CG-CB 3.73Å; Y107-P147 HydrophobicContact CG-CG 4.36Å; P147-I150 HydrophobicContact CG-CB 4.31Å; P147-I150 HydrophobicContact CG-CD1 4.26Å; P147-P151 WeakPolarHBondContact O-CD 3.32Å; P147-P151 VanDerWaalsContact O-CG 3.22Å; P147-P151 WeakPolarHBondContact O-CG 3.34Å
148E91.4Very high96.3Very high19 Ų1930.3 Ų30.39%0.08917%0.171CC..SBendtrans-63.1167.1163.4-72.1173.2-160.500110.9L102 P103 I104 I150 L312L102-E148 WeakPolarHBondContact O-CG 3.17Å; L102-E148 PolarHBondContact O-N 2.81Å; P103-E148 WeakPolarHBondContact CA-OE2 3.46Å; P103-E148 VanDerWaalsContact CD-OE1 3.31Å; P103-E148 WeakPolarHBondContact CD-OE1 3.49Å; I104-E148 WeakPolarHBondContact CD1-O 3.38Å; I104-E148 WeakPolarHBondContact CG1-O 3.2Å; E148-I150 PolarHBondContact O-N 3.23Å; E148-L312 HydrophobicContact CB-CD2 4.36Å; E148-L312 HydrophobicContact CG-CD2 4.18Å
149S92.1Very high96.2Very high0 Ų032.9 Ų32.90%020%0.2CC..SBendtrans62.7-59.9-178.9168.20000116A152 I168 D170 S179S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 2.88Å; S149-A152 VanDerWaalsContact O-N 3.09Å; S149-I168 WeakPolarHBondContact OG-CG2 3.47Å; S149-D170 VanDerWaalsContact CA-OD2 3.23Å; S149-D170 WeakPolarHBondContact CA-OD2 3.42Å; S149-D170 WeakPolarHBondContact CB-OD2 3.37Å; S149-D170 PolarHBondContact N-OD2 3.27Å; S149-S179 PolarHBondContact OG-OG 2.86Å; S149-S179 VanDerWaalsContact OG-OG 3.07Å
150I94.5Very high96.1Very high8 Ų829.1 Ų29.14%0.04118%0.177CC..G310 helixtrans-57.1-47.3-170-64.2172.5000113.9I104 P147 E148 A152 G153 V181 M185 I188I104-I150 HydrophobicContact CD1-CD1 4.31Å; I104-I150 HydrophobicContact CD1-CG1 4.08Å; P147-I150 HydrophobicContact CG-CB 4.31Å; P147-I150 HydrophobicContact CG-CD1 4.26Å; E148-I150 PolarHBondContact O-N 3.23Å; I150-A152 PolarHBondContact O-N 3.09Å; I150-G153 PolarHBondContact O-N 3.46Å; I150-V181 HydrophobicContact CG1-CG2 4.16Å; I150-V181 HydrophobicContact CG2-CG2 4.38Å; I150-M185 HydrophobicContact CG2-CE 3.37Å; I150-M185 HydrophobicContact CG2-SD 4.08Å; I150-I188 HydrophobicContact CD1-CD1 3.5Å; I150-I188 HydrophobicContact CD1-CG1 4.09Å
151P95.7Very high96.1Very high1 Ų133.6 Ų33.61%0.00620%0.198CC..G310 helixtrans-60.5-28.6-179.6-22.833.3000113.3L146 P147 G153 F154 L312 G315 M316 M319L146-P151 HydrophobicContact CB-CG 4.28Å; P147-P151 WeakPolarHBondContact O-CD 3.32Å; P147-P151 VanDerWaalsContact O-CG 3.22Å; P147-P151 WeakPolarHBondContact O-CG 3.34Å; P151-G153 PolarHBondContact O-N 3.23Å; P151-F154 WeakPolarHBondContact O-CB 3.41Å; P151-F154 PolarHBondContact O-N 3Å; P151-L312 HydrophobicContact CB-CD1 3.83Å; P151-L312 HydrophobicContact CG-CD1 3.83Å; P151-G315 WeakPolarHBondContact O-CA 3.24Å; P151-M316 HydrophobicContact CB-CG 3.87Å; P151-M316 HydrophobicContact CG-CG 4.29Å; P151-M319 HydrophobicContact CB-SD 3.56Å; P151-M319 VanDerWaalsContact CB-SD 3.56Å; P151-M319 HydrophobicContact CG-SD 4.17Å
152A96.9Very high96Very high6 Ų631.1 Ų31.15%0.0520%0.196CC..G310 helixtrans-58-36.9179.900000112.1S149 I150 F154 V280 D311 L312S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 2.88Å; S149-A152 VanDerWaalsContact O-N 3.09Å; I150-A152 PolarHBondContact O-N 3.09Å; A152-F154 VanDerWaalsContact C-N 3.28Å; A152-F154 PolarHBondContact O-N 3.06Å; A152-V280 HydrophobicContact CB-CB 4.26Å; A152-V280 HydrophobicContact CB-CG1 3.93Å; A152-V280 HydrophobicContact CB-CG2 4.18Å; A152-D311 WeakPolarHBondContact CA-O 3.42Å; A152-D311 HydrophobicContact CB-CB 3.92Å; A152-L312 HydrophobicContact CB-CB 4.42Å
153G96.6Very high95.9Very high0 Ų035.7 Ų35.70%022%0.217CC..G310 helixtrans-78.6-0.5177.400000115.2I150 P151 S155 V156 L157I150-G153 PolarHBondContact O-N 3.46Å; P151-G153 PolarHBondContact O-N 3.23Å; G153-S155 VanDerWaalsContact C-N 3.33Å; G153-S155 PolarHBondContact O-N 2.95Å; G153-V156 PolarHBondContact O-N 2.79Å; G153-V156 VanDerWaalsContact O-N 3.15Å; G153-L157 WeakPolarHBondContact O-CB 3.44Å; G153-L157 WeakPolarHBondContact O-CG 3.34Å; G153-L157 PolarHBondContact O-N 3.44Å
154F96.1Very high95.8Very high51 Ų5136.7 Ų36.722%0.22422%0.221CC..Hα-helixtrans-54.4-44.9-169.9177.8-103.5000113.6P151 A152 V156 L157 A158 M185 K318 M319P151-F154 WeakPolarHBondContact O-CB 3.41Å; P151-F154 PolarHBondContact O-N 3Å; A152-F154 VanDerWaalsContact C-N 3.28Å; A152-F154 PolarHBondContact O-N 3.06Å; F154-V156 PolarHBondContact O-N 3.31Å; F154-L157 PolarHBondContact O-N 2.92Å; F154-A158 WeakPolarHBondContact O-CB 3.38Å; F154-A158 PolarHBondContact O-N 3.29Å; F154-M185 HydrophobicContact CD2-CG 4.14Å; F154-K318 HydrophobicContact CD1-CB 3.59Å; F154-K318 HydrophobicContact CE1-CB 3.76Å; F154-M319 HydrophobicContact CB-CG 3.87Å; F154-M319 HydrophobicContact CB-SD 4.11Å; F154-M319 HydrophobicContact CD1-CG 3.83Å; F154-M319 HydrophobicContact CD2-CG 3.24Å; F154-M319 HydrophobicContact CD2-SD 3.94Å; F154-M319 HydrophobicContact CE1-CG 4.16Å; F154-M319 HydrophobicContact CE2-CG 3.62Å; F154-M319 HydrophobicContact CG-CG 3.35Å; F154-M319 HydrophobicContact CG-SD 4.15Å; F154-M319 HydrophobicContact CZ-CG 4.06Å
155S94.6Very high95.8Very high45 Ų4534.3 Ų34.332%0.31520%0.204SC..Hα-helixtrans-64.4-42.3-177.9-52.20000112G153 K318G153-S155 VanDerWaalsContact C-N 3.33Å; G153-S155 PolarHBondContact O-N 2.95Å; S155-K318 WeakPolarHBondContact OG-CD 3.37Å; S155-K318 WeakPolarHBondContact OG-CE 3.45Å; S155-K318 PolarHBondContact OG-NZ 2.85Å
156V96.9Very high95.9Very high23 Ų2333.7 Ų33.714%0.13920%0.2CC..Hα-helixtrans-66.9-53.2178.7176.40000108.7G153 F154 A158 G159 L160 L166 M278 Y303G153-V156 PolarHBondContact O-N 2.79Å; G153-V156 VanDerWaalsContact O-N 3.15Å; F154-V156 PolarHBondContact O-N 3.31Å; V156-A158 PolarHBondContact O-N 2.68Å; V156-G159 PolarHBondContact O-N 3.12Å; V156-L160 HydrophobicContact CG1-CD1 4.43Å; V156-L160 HydrophobicContact CG1-CD2 4.36Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 WeakPolarHBondContact O-CG 3.19Å; V156-L160 PolarHBondContact O-N 3.5Å; V156-L166 HydrophobicContact CB-CD2 3.96Å; V156-L166 HydrophobicContact CG1-CD1 4.01Å; V156-L166 HydrophobicContact CG1-CD2 3.9Å; V156-M278 HydrophobicContact CG2-SD 4.36Å; V156-Y303 HydrophobicContact CB-CE2 4.5Å; V156-Y303 HydrophobicContact CG1-CD2 3.85Å; V156-Y303 HydrophobicContact CG1-CE1 4.36Å; V156-Y303 HydrophobicContact CG1-CE2 3.38Å; V156-Y303 HydrophobicContact CG1-CG 4.49Å; V156-Y303 HydrophobicContact CG2-CD1 4Å; V156-Y303 HydrophobicContact CG2-CD2 4.14Å; V156-Y303 HydrophobicContact CG2-CE1 4.2Å; V156-Y303 HydrophobicContact CG2-CE2 4.3Å; V156-Y303 HydrophobicContact CG2-CG 3.98Å
157L97.1Very high96Very high0 Ų033 Ų330%020%0.197CC..Hα-helixtrans-57.3-35.5-178.5-74.6166.1000113.2G153 F154 G159 L160 L166 I168 V181 R182 K184 M185G153-L157 WeakPolarHBondContact O-CB 3.44Å; G153-L157 WeakPolarHBondContact O-CG 3.34Å; G153-L157 PolarHBondContact O-N 3.44Å; F154-L157 PolarHBondContact O-N 2.92Å; L157-G159 VanDerWaalsContact C-N 3.26Å; L157-G159 PolarHBondContact O-N 3.2Å; L157-L160 HydrophobicContact CD2-CD1 4.3Å; L157-L166 HydrophobicContact CD1-CD2 4.32Å; L157-L166 HydrophobicContact CD2-CB 3.57Å; L157-L166 HydrophobicContact CD2-CD2 4.34Å; L157-L166 HydrophobicContact CG-CB 4.08Å; L157-L166 HydrophobicContact CG-CD2 3.89Å; L157-I168 HydrophobicContact CD1-CD1 4.38Å; L157-V181 HydrophobicContact CD1-CB 3.9Å; L157-V181 HydrophobicContact CD1-CG1 3.7Å; L157-V181 HydrophobicContact CD2-CB 4.13Å; L157-V181 HydrophobicContact CD2-CG1 4.18Å; L157-R182 WeakPolarHBondContact CD2-O 3.47Å; L157-K184 WeakPolarHBondContact O-CA 3.17Å; L157-K184 PolarHBondContact O-N 3.2Å; L157-M185 HydrophobicContact CB-CG 4.35Å; L157-M185 HydrophobicContact CB-SD 4.29Å; L157-M185 HydrophobicContact CD1-CG 4.41Å; L157-M185 HydrophobicContact CD1-SD 3.32Å; L157-M185 WeakPolarHBondContact CD1-SD 3.45Å; L157-M185 HydrophobicContact CG-SD 4.39Å
158A95.6Very high96.2Very high46 Ų4632.4 Ų32.438%0.3819%0.193SC..Hα-helixtrans-65.9-26.7177.600000113.5F154 V156F154-A158 WeakPolarHBondContact O-CB 3.38Å; F154-A158 PolarHBondContact O-N 3.29Å; V156-A158 PolarHBondContact O-N 2.68Å
159G95.4Very high96.5Very high64 Ų6431.5 Ų31.566%0.6619%0.188SC*.Hα-helixtrans-97.1-6.2-179.300000115.3V156 L157V156-G159 PolarHBondContact O-N 3.12Å; L157-G159 VanDerWaalsContact C-N 3.26Å; L157-G159 PolarHBondContact O-N 3.2Å
160L97.7Very high96.7Very high8 Ų832.1 Ų32.14%0.04219%0.192CC..SBendtrans-77.8150.7179.4-66.6-171.5000112.4V156 L157 E164 L166 H276V156-L160 HydrophobicContact CG1-CD1 4.43Å; V156-L160 HydrophobicContact CG1-CD2 4.36Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 WeakPolarHBondContact O-CG 3.19Å; V156-L160 PolarHBondContact O-N 3.5Å; L157-L160 HydrophobicContact CD2-CD1 4.3Å; L160-E164 HydrophobicContact CB-CB 4.01Å; L160-E164 HydrophobicContact CD1-CB 4.29Å; L160-L166 HydrophobicContact CD1-CB 4.31Å; L160-H276 VanDerWaalsContact CD2-CE1 3.47Å; L160-H276 WeakPolarHBondContact CD2-CE1 3.26Å
161E97.5Very high96.8Very high120 Ų12031.8 Ų31.856%0.56119%0.19SC*.  trans-71.5162.5175-65.1-61.9161.600112.3D163 E164 S183E161-D163 VanDerWaalsContact C-N 3.26Å; E161-D163 PolarHBondContact O-N 3.38Å; E161-E164 HydrophobicContact CB-CG 4.08Å; E161-E164 PolarHBondContact N-OE2 2.87Å; E161-E164 WeakPolarHBondContact O-CB 3.32Å; E161-E164 PolarHBondContact O-N 2.95Å; E161-S183 WeakPolarHBondContact O-CB 3.28Å; E161-S183 PolarHBondContact O-OG 3.5Å
162D95.8Very high96.6Very high103 Ų10332.7 Ų32.755%0.55120%0.2SC*.THydrogen-bonded Turntrans-63.1-26.6-169.5-75.8-22.5000114.9S183 K184D162-S183 WeakPolarHBondContact CA-OG 3.44Å; D162-S183 PolarHBondContact O-OG 2.94Å; D162-K184 WeakPolarHBondContact OD1-CD 3.36Å; D162-K184 WeakPolarHBondContact OD1-CE 3.33Å; D162-K184 IonicContact OD1-NZ 2.67Å; D162-K184 PolarHBondContact OD1-NZ 3.01Å; D162-K184 IonicContact OD2-NZ 3.78Å
163D95.4Very high96.3Very high142 Ų14233.4 Ų33.476%0.75921%0.207SC*.THydrogen-bonded Turntrans-941.5177.265.1-30000113.5E161E161-D163 VanDerWaalsContact C-N 3.26Å; E161-D163 PolarHBondContact O-N 3.38Å
164E98Very high96Very high34 Ų3434 Ų3416%0.15921%0.211CC..  trans-94.9160.5179-64.8-175.2138.800112.9L160 E161 S183 T275 H276 R301L160-E164 HydrophobicContact CB-CB 4.01Å; L160-E164 HydrophobicContact CD1-CB 4.29Å; E161-E164 HydrophobicContact CB-CG 4.08Å; E161-E164 PolarHBondContact N-OE2 2.87Å; E161-E164 WeakPolarHBondContact O-CB 3.32Å; E161-E164 PolarHBondContact O-N 2.95Å; E164-S183 WeakPolarHBondContact O-CB 3.22Å; E164-S183 PolarHBondContact O-N 3.13Å; E164-S183 PolarHBondContact O-OG 2.61Å; E164-T275 HydrophobicContact CB-CG2 4.49Å; E164-T275 HydrophobicContact CG-CG2 4.44Å; E164-H276 IonicContact OE1-CE1 3.72Å; E164-H276 PolarHBondContact OE1-CE1 2.76Å; E164-H276 IonicContact OE2-CE1 2.9Å; E164-R301 IonicContact OE1-NH2 3.11Å
165S98.2Very high95.7Very high10 Ų1032.5 Ų32.57%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-153.7154.2-179.4590000112.6H180 V181 D273 Y274 T275 H276S165-H180 WeakPolarHBondContact CB-NE2 3.25Å; S165-H180 PolarHBondContact OG-NE2 2.8Å; S165-V181 CarbonylContact C-O 3.56Å; S165-V181 VanDerWaalsContact CA-O 3.31Å; S165-V181 WeakPolarHBondContact CA-O 3.3Å; S165-V181 VanDerWaalsContact CB-O 3.29Å; S165-V181 WeakPolarHBondContact CB-O 3.37Å; S165-D273 PolarHBondContact OG-O 3.05Å; S165-Y274 WeakPolarHBondContact OG-CA 3.33Å; S165-T275 PolarHBondContact N-OG1 2.91Å; S165-T275 PolarHBondContact O-N 3.15Å; S165-T275 VanDerWaalsContact O-N 3.16Å; S165-T275 PolarHBondContact O-OG1 3.37Å; S165-H276 PolarHBondContact O-N 3.47Å
166L98.6Very high95.7Very high0 Ų030.4 Ų30.40%019%0.191CC..EExtended strand (participates in β ladder)trans-113.9130.7-178.3-173.963.1000110.8V156 L157 L160 I168 H180 V181 H276 M278 Y303V156-L166 HydrophobicContact CB-CD2 3.96Å; V156-L166 HydrophobicContact CG1-CD1 4.01Å; V156-L166 HydrophobicContact CG1-CD2 3.9Å; L157-L166 HydrophobicContact CD1-CD2 4.32Å; L157-L166 HydrophobicContact CD2-CB 3.57Å; L157-L166 HydrophobicContact CD2-CD2 4.34Å; L157-L166 HydrophobicContact CG-CB 4.08Å; L157-L166 HydrophobicContact CG-CD2 3.89Å; L160-L166 HydrophobicContact CD1-CB 4.31Å; L166-I168 HydrophobicContact CD2-CD1 4.21Å; L166-I168 HydrophobicContact CD2-CG1 3.7Å; L166-I168 HydrophobicContact CG-CG1 3.87Å; L166-H180 WeakPolarHBondContact O-CA 3.34Å; L166-V181 PolarHBondContact N-O 3.12Å; L166-V181 PolarHBondContact O-N 3.07Å; L166-H276 HydrophobicContact CD1-CB 3.56Å; L166-M278 HydrophobicContact CD1-CB 3.94Å; L166-M278 HydrophobicContact CD2-CB 4.23Å; L166-M278 HydrophobicContact CD2-SD 4.36Å; L166-M278 HydrophobicContact CG-CB 4.33Å; L166-Y303 HydrophobicContact CD1-CD2 4.14Å; L166-Y303 HydrophobicContact CD1-CE2 4.37Å
167L98.5Very high95.5Very high0 Ų029.4 Ų29.40%019%0.186CC..EExtended strand (participates in β ladder)trans-93108.6163.4-171.774.2000109.2V169 V178 S179 H180 I268 F271 Y274 H276 V277 M278L167-V169 HydrophobicContact CD2-CG2 4.24Å; L167-V169 HydrophobicContact CG-CG2 4.31Å; L167-V178 HydrophobicContact CD1-CG1 3.57Å; L167-V178 HydrophobicContact CD2-CG1 4.48Å; L167-V178 HydrophobicContact CG-CG1 4.02Å; L167-S179 CarbonylContact C-O 3.57Å; L167-S179 WeakPolarHBondContact CA-O 3.3Å; L167-H180 HydrophobicContact CD1-CB 4.01Å; L167-I268 HydrophobicContact CD2-CG2 4.08Å; L167-F271 HydrophobicContact CD1-CB 3.86Å; L167-F271 HydrophobicContact CD1-CD1 3.5Å; L167-F271 VanDerWaalsContact CD1-CD1 3.5Å; L167-F271 HydrophobicContact CD1-CD2 4.43Å; L167-F271 HydrophobicContact CD1-CE1 4.08Å; L167-F271 HydrophobicContact CD1-CG 3.68Å; L167-F271 HydrophobicContact CD2-CB 4.36Å; L167-Y274 HydrophobicContact CB-CD1 4.12Å; L167-Y274 HydrophobicContact CB-CD2 4.16Å; L167-Y274 HydrophobicContact CB-CG 3.79Å; L167-Y274 HydrophobicContact CD1-CD1 4.25Å; L167-Y274 HydrophobicContact CD2-CD1 3.9Å; L167-Y274 HydrophobicContact CD2-CD2 4.43Å; L167-Y274 HydrophobicContact CD2-CE1 3.76Å; L167-Y274 HydrophobicContact CD2-CE2 4.32Å; L167-Y274 HydrophobicContact CD2-CG 4.24Å; L167-Y274 HydrophobicContact CG-CD1 4.32Å; L167-Y274 HydrophobicContact CG-CG 4.47Å; L167-H276 PolarHBondContact N-O 3.33Å; L167-V277 HydrophobicContact CB-CG2 4.29Å; L167-V277 CarbonylContact O-C 3.59Å; L167-V277 WeakPolarHBondContact O-CA 3.19Å; L167-M278 PolarHBondContact O-N 3.1Å
168I98.3Very high95.5Very high0 Ų029.4 Ų29.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.1119.7175.6-51.9169.3000107.7S149 L157 L166 V178 S179 V181 M278 V280S149-I168 WeakPolarHBondContact OG-CG2 3.47Å; L157-I168 HydrophobicContact CD1-CD1 4.38Å; L166-I168 HydrophobicContact CD2-CD1 4.21Å; L166-I168 HydrophobicContact CD2-CG1 3.7Å; L166-I168 HydrophobicContact CG-CG1 3.87Å; I168-V178 CarbonylContact O-C 3.52Å; I168-V178 VanDerWaalsContact O-CA 3.27Å; I168-V178 WeakPolarHBondContact O-CA 3.37Å; I168-S179 PolarHBondContact N-O 3.25Å; I168-S179 PolarHBondContact O-N 3.37Å; I168-V181 HydrophobicContact CD1-CG2 4.21Å; I168-M278 CarbonylContact C-O 3.12Å; I168-M278 WeakPolarHBondContact CA-O 3.1Å; I168-V280 HydrophobicContact CG2-CG1 4.22Å; I168-V280 HydrophobicContact CG2-CG2 3.76Å
169V98.1Very high95.5Very high0 Ų027.2 Ų27.20%017%0.167CC..EExtended strand (participates in β ladder)trans-107.596.1176.2-177.40000107.5L167 L176 V178 V264 I268 V277 M278 C279 V280 V291L167-V169 HydrophobicContact CD2-CG2 4.24Å; L167-V169 HydrophobicContact CG-CG2 4.31Å; V169-L176 HydrophobicContact CG1-CD1 3.93Å; V169-V178 HydrophobicContact CG2-CG1 4.41Å; V169-V264 HydrophobicContact CG1-CG1 4.21Å; V169-I268 HydrophobicContact CG1-CD1 3.9Å; V169-I268 HydrophobicContact CG1-CG1 4.5Å; V169-I268 HydrophobicContact CG2-CD1 3.83Å; V169-I268 HydrophobicContact CG2-CG1 4.14Å; V169-V277 HydrophobicContact CG2-CG1 4.46Å; V169-M278 PolarHBondContact N-O 3.21Å; V169-C279 WeakPolarHBondContact O-CA 3.37Å; V169-V280 PolarHBondContact O-N 2.97Å; V169-V291 HydrophobicContact CG2-CG1 4.31Å
170D96.3Very high95.5Very high14 Ų1424.5 Ų24.58%0.07514%0.138CC..EExtended strand (participates in β ladder)trans-95.8106-180-171-8.1000110.1S149 L176 D177 V280S149-D170 VanDerWaalsContact CA-OD2 3.23Å; S149-D170 WeakPolarHBondContact CA-OD2 3.42Å; S149-D170 WeakPolarHBondContact CB-OD2 3.37Å; S149-D170 PolarHBondContact N-OD2 3.27Å; D170-L176 CarbonylContact O-C 3.55Å; D170-L176 WeakPolarHBondContact O-CA 3.3Å; D170-D177 WeakPolarHBondContact CA-O 3.24Å; D170-D177 HydrophobicContact CB-CB 4.14Å; D170-D177 WeakPolarHBondContact CB-O 3.41Å; D170-D177 PolarHBondContact N-O 2.98Å; D170-D177 PolarHBondContact O-N 3.09Å; D170-V280 VanDerWaalsContact CA-CG2 3.44Å; D170-V280 WeakPolarHBondContact CA-O 3.23Å; D170-V280 HydrophobicContact CB-CG2 3.37Å; D170-V280 VanDerWaalsContact CG-CG2 3.49Å
171L95.6Very high95.5Very high0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-104.599.3176.4-177.962.8000109.6L176 I197 L260 V264 V280 G281 G282 G283 V287L171-L176 HydrophobicContact CB-CD1 4.28Å; L171-L176 HydrophobicContact CD1-CB 4.29Å; L171-L176 HydrophobicContact CD1-CD1 4.19Å; L171-I197 HydrophobicContact CD1-CG2 4.47Å; L171-L260 HydrophobicContact CD1-CD1 4.29Å; L171-L260 HydrophobicContact CD2-CD1 4.49Å; L171-L260 HydrophobicContact CD2-CD2 4.14Å; L171-L260 HydrophobicContact CD2-CG 4.39Å; L171-V264 HydrophobicContact CD1-CG2 4.4Å; L171-V264 HydrophobicContact CD2-CG2 4.36Å; L171-V280 PolarHBondContact N-O 3.29Å; L171-G281 CarbonylContact O-C 3.47Å; L171-G282 PolarHBondContact O-N 3.45Å; L171-G283 WeakPolarHBondContact O-CA 3.49Å; L171-G283 PolarHBondContact O-N 3.41Å; L171-V287 HydrophobicContact CD2-CB 4.37Å; L171-V287 HydrophobicContact CD2-CG1 3.52Å; L171-V287 HydrophobicContact CD2-CG2 3.9Å
172G92.1Very high95.4Very high21 Ų2124.2 Ų24.222%0.21613%0.131CC..  trans-83.9-174.2173.800000113.4T174 T175 V199G172-T174 VanDerWaalsContact C-N 3.33Å; G172-T174 PolarHBondContact O-N 2.65Å; G172-T175 PolarHBondContact N-O 3.48Å; G172-V199 PolarHBondContact O-N 2.97Å
173G90Very high95.5Very high20 Ų2019.3 Ų19.321%0.20611%0.105CC..SBendtrans-66.2-35.2175.600000112.7T10 G198 V199 S200T10-G173 WeakPolarHBondContact OG1-CA 3.19Å; G173-G198 CarbonylContact O-C 3.37Å; G173-V199 PolarHBondContact O-N 3.26Å; G173-V199 VanDerWaalsContact O-N 3.11Å; G173-S200 WeakPolarHBondContact O-CB 3.24Å; G173-S200 PolarHBondContact O-N 2.91Å; G173-S200 PolarHBondContact O-OG 2.9Å
174T89.3Confident95.3Very high12 Ų1217.3 Ų17.37%0.0749%0.089CC..SBendtrans-117.8-19.6-175.156.30000114.4S9 T68 G172 P195S9-T174 VanDerWaalsContact OG-CG2 3.24Å; S9-T174 WeakPolarHBondContact OG-CG2 3.31Å; S9-T174 PolarHBondContact OG-OG1 3.49Å; T68-T174 HydrophobicContact CG2-CG2 3.51Å; G172-T174 VanDerWaalsContact C-N 3.33Å; G172-T174 PolarHBondContact O-N 2.65Å; T174-P195 CarbonylContact O-C 3.5Å
175T91.4Very high94.9Very high21 Ų2118.5 Ų18.513%0.12910%0.096CC..  trans-139.5146.3-162.6-50.20000110G172 D177 I197G172-T175 PolarHBondContact N-O 3.48Å; T175-D177 WeakPolarHBondContact CG2-OD2 3.41Å; T175-I197 CarbonylContact C-O 3.5Å; T175-I197 VanDerWaalsContact CA-O 3.22Å; T175-I197 WeakPolarHBondContact CA-O 3.45Å; T175-I197 PolarHBondContact N-O 3.33Å
176L94.1Very high94.4Very high0 Ų021.9 Ų21.90%012%0.116CC..EExtended strand (participates in β ladder)trans-110.8115.5169.3173.371.4000107.7V169 D170 L171 V178 C193 D194 I197 V264 V267V169-L176 HydrophobicContact CG1-CD1 3.93Å; D170-L176 CarbonylContact O-C 3.55Å; D170-L176 WeakPolarHBondContact O-CA 3.3Å; L171-L176 HydrophobicContact CB-CD1 4.28Å; L171-L176 HydrophobicContact CD1-CB 4.29Å; L171-L176 HydrophobicContact CD1-CD1 4.19Å; L176-V178 HydrophobicContact CD1-CG2 4.08Å; L176-V178 HydrophobicContact CD2-CG2 4.19Å; L176-V178 HydrophobicContact CG-CG2 3.94Å; L176-C193 WeakPolarHBondContact O-CA 3.42Å; L176-D194 PolarHBondContact N-O 3.01Å; L176-D194 VanDerWaalsContact N-O 3.09Å; L176-D194 PolarHBondContact O-N 3.28Å; L176-I197 HydrophobicContact CB-CB 3.9Å; L176-I197 HydrophobicContact CB-CG2 3.92Å; L176-I197 HydrophobicContact CD2-CB 4.4Å; L176-I197 HydrophobicContact CD2-CD1 4.19Å; L176-I197 HydrophobicContact CD2-CG2 4.01Å; L176-I197 PolarHBondContact N-O 2.9Å; L176-V264 HydrophobicContact CD1-CG1 4.4Å; L176-V264 HydrophobicContact CD1-CG2 4.32Å; L176-V264 HydrophobicContact CD2-CB 4.47Å; L176-V264 HydrophobicContact CD2-CG1 4.47Å; L176-V264 HydrophobicContact CD2-CG2 4.13Å; L176-V267 HydrophobicContact CD2-CB 3.93Å; L176-V267 HydrophobicContact CD2-CG1 4.02Å; L176-V267 HydrophobicContact CD2-CG2 4.01Å
177D93.4Very high93.9Very high3 Ų323 Ų232%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-109.6119.8173.5-70.4-84.4000109.3I104 D170 T175 W192 C193I104-D177 HydrophobicContact CD1-CB 4.32Å; D170-D177 WeakPolarHBondContact CA-O 3.24Å; D170-D177 HydrophobicContact CB-CB 4.14Å; D170-D177 WeakPolarHBondContact CB-O 3.41Å; D170-D177 PolarHBondContact N-O 2.98Å; D170-D177 PolarHBondContact O-N 3.09Å; T175-D177 WeakPolarHBondContact CG2-OD2 3.41Å; D177-W192 WeakPolarHBondContact CA-O 3.04Å; D177-C193 WeakPolarHBondContact OD1-CB 3.45Å
178V95.9Very high93.6Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-115120.1176.9-172.60000109.5L167 I168 V169 L176 T191 W192 V267 F271L167-V178 HydrophobicContact CD1-CG1 3.57Å; L167-V178 HydrophobicContact CD2-CG1 4.48Å; L167-V178 HydrophobicContact CG-CG1 4.02Å; I168-V178 CarbonylContact O-C 3.52Å; I168-V178 VanDerWaalsContact O-CA 3.27Å; I168-V178 WeakPolarHBondContact O-CA 3.37Å; V169-V178 HydrophobicContact CG2-CG1 4.41Å; L176-V178 HydrophobicContact CD1-CG2 4.08Å; L176-V178 HydrophobicContact CD2-CG2 4.19Å; L176-V178 HydrophobicContact CG-CG2 3.94Å; V178-T191 CarbonylContact O-C 3.55Å; V178-T191 VanDerWaalsContact O-CA 3.3Å; V178-T191 WeakPolarHBondContact O-CA 3.48Å; V178-W192 PolarHBondContact N-O 3.11Å; V178-W192 PolarHBondContact O-N 3.3Å; V178-V267 HydrophobicContact CG2-CG1 3.9Å; V178-F271 HydrophobicContact CB-CE2 3.75Å; V178-F271 HydrophobicContact CB-CZ 3.72Å; V178-F271 HydrophobicContact CG1-CD1 4.37Å; V178-F271 HydrophobicContact CG1-CD2 3.89Å; V178-F271 HydrophobicContact CG1-CE1 3.99Å; V178-F271 HydrophobicContact CG1-CE2 3.49Å; V178-F271 VanDerWaalsContact CG1-CE2 3.49Å; V178-F271 HydrophobicContact CG1-CG 4.31Å; V178-F271 HydrophobicContact CG1-CZ 3.53Å
179S95.4Very high93.3Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-122119.5-177.3-57.60000111.1I104 S149 L167 I168I104-S179 WeakPolarHBondContact CD1-OG 3.48Å; S149-S179 PolarHBondContact OG-OG 2.86Å; S149-S179 VanDerWaalsContact OG-OG 3.07Å; L167-S179 CarbonylContact C-O 3.57Å; L167-S179 WeakPolarHBondContact CA-O 3.3Å; I168-S179 PolarHBondContact N-O 3.25Å; I168-S179 PolarHBondContact O-N 3.37Å
180H96.7Very high93.1Very high7 Ų733.7 Ų33.73%0.03218%0.183CC..EExtended strand (participates in β ladder)trans-96.6109.2168.7-175.5-170.9000109.1S165 L166 L167 T189 K190 F271 T272S165-H180 WeakPolarHBondContact CB-NE2 3.25Å; S165-H180 PolarHBondContact OG-NE2 2.8Å; L166-H180 WeakPolarHBondContact O-CA 3.34Å; L167-H180 HydrophobicContact CD1-CB 4.01Å; H180-T189 PolarHBondContact O-N 2.98Å; H180-K190 HydrophobicContact CB-CB 4.38Å; H180-K190 PolarHBondContact N-O 2.89Å; H180-K190 PolarHBondContact O-N 3.14Å; H180-F271 HydrophobicContact CB-CD1 3.97Å; H180-F271 HydrophobicContact CB-CE1 4.19Å; H180-T272 PolarHBondContact CE1-O 3.41Å; H180-T272 VanDerWaalsContact CE1-O 3.31Å
181V96.4Very high92.9Very high1 Ų134.4 Ų34.41%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-120.1135.9-170.9-169.40000109.8I150 L157 S165 L166 I168 M185 G187I150-V181 HydrophobicContact CG1-CG2 4.16Å; I150-V181 HydrophobicContact CG2-CG2 4.38Å; L157-V181 HydrophobicContact CD1-CB 3.9Å; L157-V181 HydrophobicContact CD1-CG1 3.7Å; L157-V181 HydrophobicContact CD2-CB 4.13Å; L157-V181 HydrophobicContact CD2-CG1 4.18Å; S165-V181 CarbonylContact C-O 3.56Å; S165-V181 VanDerWaalsContact CA-O 3.31Å; S165-V181 WeakPolarHBondContact CA-O 3.3Å; S165-V181 VanDerWaalsContact CB-O 3.29Å; S165-V181 WeakPolarHBondContact CB-O 3.37Å; L166-V181 PolarHBondContact N-O 3.12Å; L166-V181 PolarHBondContact O-N 3.07Å; I168-V181 HydrophobicContact CD1-CG2 4.21Å; V181-M185 HydrophobicContact CG1-SD 4.04Å; V181-G187 WeakPolarHBondContact CG1-O 3.49Å
182R96.8Very high92.7Very high120 Ų12038.9 Ų38.945%0.45321%0.205SC..EExtended strand (participates in β ladder)trans-75.5150.9176.2-64.7178.160.1-161.3-4.7110.7L157 M185 T186 G187L157-R182 WeakPolarHBondContact CD2-O 3.47Å; R182-M185 PolarHBondContact O-N 2.99Å; R182-T186 WeakPolarHBondContact CB-OG1 3.42Å; R182-G187 PolarHBondContact N-O 2.81Å
183S96.5Very high92.7Very high0 Ų039.4 Ų39.40%021%0.205CC..G310 helixtrans-49.6154.3176.962.90000113.3E161 D162 E164 M185 T186E161-S183 WeakPolarHBondContact O-CB 3.28Å; E161-S183 PolarHBondContact O-OG 3.5Å; D162-S183 WeakPolarHBondContact CA-OG 3.44Å; D162-S183 PolarHBondContact O-OG 2.94Å; E164-S183 WeakPolarHBondContact O-CB 3.22Å; E164-S183 PolarHBondContact O-N 3.13Å; E164-S183 PolarHBondContact O-OG 2.61Å; S183-M185 PolarHBondContact O-N 3.47Å; S183-T186 WeakPolarHBondContact O-CB 3.1Å; S183-T186 WeakPolarHBondContact O-CG2 3.27Å; S183-T186 PolarHBondContact O-N 2.88Å; S183-T186 PolarHBondContact O-OG1 3.27Å
184K92.7Very high92.7Very high100 Ų10040 Ų4044%0.43520%0.203SC..G310 helixtrans53.722.7-178.2-57.2168.1-172.4168.80113.2L157 D162 T186L157-K184 WeakPolarHBondContact O-CA 3.17Å; L157-K184 PolarHBondContact O-N 3.2Å; D162-K184 WeakPolarHBondContact OD1-CD 3.36Å; D162-K184 WeakPolarHBondContact OD1-CE 3.33Å; D162-K184 IonicContact OD1-NZ 2.67Å; D162-K184 PolarHBondContact OD1-NZ 3.01Å; D162-K184 IonicContact OD2-NZ 3.78Å; K184-T186 HydrophobicContact CB-CG2 4.14Å; K184-T186 PolarHBondContact O-N 3.23Å
185M88.4Confident92.6Very high60 Ų6042.7 Ų42.730%0.29622%0.221SC..G310 helixtrans56.930.1-177.1-59.3-77.4-77.100112.9I150 F154 L157 V181 R182 S183 G187 M319I150-M185 HydrophobicContact CG2-CE 3.37Å; I150-M185 HydrophobicContact CG2-SD 4.08Å; F154-M185 HydrophobicContact CD2-CG 4.14Å; L157-M185 HydrophobicContact CB-CG 4.35Å; L157-M185 HydrophobicContact CB-SD 4.29Å; L157-M185 HydrophobicContact CD1-CG 4.41Å; L157-M185 HydrophobicContact CD1-SD 3.32Å; L157-M185 WeakPolarHBondContact CD1-SD 3.45Å; L157-M185 HydrophobicContact CG-SD 4.39Å; V181-M185 HydrophobicContact CG1-SD 4.04Å; R182-M185 PolarHBondContact O-N 2.99Å; S183-M185 PolarHBondContact O-N 3.47Å; M185-G187 PolarHBondContact O-N 2.8Å; M185-M319 HydrophobicContact CE-CE 4.09Å
186T88.4Confident92.4Very high80 Ų8047.4 Ų47.449%0.49125%0.246SC..  trans-70.1-19.3-176530000113.5R182 S183 K184R182-T186 WeakPolarHBondContact CB-OG1 3.42Å; S183-T186 WeakPolarHBondContact O-CB 3.1Å; S183-T186 WeakPolarHBondContact O-CG2 3.27Å; S183-T186 PolarHBondContact O-N 2.88Å; S183-T186 PolarHBondContact O-OG1 3.27Å; K184-T186 HydrophobicContact CB-CG2 4.14Å; K184-T186 PolarHBondContact O-N 3.23Å
187G88.6Confident92.4Very high25 Ų2547.7 Ų47.726%0.25825%0.247SC..  trans178168.1175.500000113.4V181 R182 M185V181-G187 WeakPolarHBondContact CG1-O 3.49Å; R182-G187 PolarHBondContact N-O 2.81Å; M185-G187 PolarHBondContact O-N 2.8Å
188I91.1Very high92.4Very high62 Ų6247.6 Ų47.632%0.31825%0.247SC..EExtended strand (participates in β ladder)trans-104.4122.5174.8-60.9171.4000107.2L108 I150 T191L108-I188 HydrophobicContact CD1-CD1 3.92Å; I150-I188 HydrophobicContact CD1-CD1 3.5Å; I150-I188 HydrophobicContact CD1-CG1 4.09Å; I188-T191 HydrophobicContact CG2-CG2 3.58Å
189T92Very high92.3Very high78 Ų7848.5 Ų48.548%0.47925%0.252SS..EExtended strand (participates in β ladder)trans-78.1-47.3176.6-56.50000110.4H180H180-T189 PolarHBondContact O-N 2.98Å
190K93.2Very high92.1Very high83 Ų8350.1 Ų50.136%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-160.8145.6-177.2-172.3174.1179.9178.70110.4H180 R270 F271H180-K190 HydrophobicContact CB-CB 4.38Å; H180-K190 PolarHBondContact N-O 2.89Å; H180-K190 PolarHBondContact O-N 3.14Å; K190-R270 PolarHBondContact NZ-O 3.14Å; K190-F271 HydrophobicContact CB-CD1 4.33Å; K190-F271 HydrophobicContact CB-CE1 3.92Å; K190-F271 HydrophobicContact CD-CD1 4.04Å; K190-F271 HydrophobicContact CD-CE1 3.89Å; K190-F271 HydrophobicContact CD-CZ 4.46Å; K190-F271 HydrophobicContact CG-CD1 4.32Å; K190-F271 HydrophobicContact CG-CE1 3.75Å; K190-F271 HydrophobicContact CG-CZ 4.34Å
191T92.6Very high92Very high30 Ų3051 Ų5118%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-126.9155.5168.7530000110.2I104 L108 V178 I188I104-T191 HydrophobicContact CD1-CG2 4.39Å; I104-T191 HydrophobicContact CG2-CG2 3.85Å; L108-T191 HydrophobicContact CD1-CG2 4.44Å; V178-T191 CarbonylContact O-C 3.55Å; V178-T191 VanDerWaalsContact O-CA 3.3Å; V178-T191 WeakPolarHBondContact O-CA 3.48Å; I188-T191 HydrophobicContact CG2-CG2 3.58Å
192W92.4Very high92Very high94 Ų9451 Ų5136%0.35627%0.269SS..EExtended strand (participates in β ladder)trans-144.2134.4169.9-173.3-89.4000108.7D177 V178 V267 F271D177-W192 WeakPolarHBondContact CA-O 3.04Å; V178-W192 PolarHBondContact N-O 3.11Å; V178-W192 PolarHBondContact O-N 3.3Å; W192-V267 VanDerWaalsContact CD1-CG1 3.45Å; W192-V267 HydrophobicContact CG-CG1 4.04Å; W192-F271 HydrophobicContact CB-CE2 3.86Å; W192-F271 HydrophobicContact CB-CZ 3.59Å
193C90.9Very high91.9Very high32 Ų3245.6 Ų45.622%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-124.6125.9175166.90000107.6S105 L176 D177S105-C193 PolarHBondContact OG-SG 3.29Å; S105-C193 VanDerWaalsContact OG-SG 3.32Å; L176-C193 WeakPolarHBondContact O-CA 3.42Å; D177-C193 WeakPolarHBondContact OD1-CB 3.45Å
194D90.7Very high91.7Very high31 Ų3148.9 Ų48.917%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-120.4105.5173.3-162.2-35.1000110.7L176 N196 I197L176-D194 PolarHBondContact N-O 3.01Å; L176-D194 VanDerWaalsContact N-O 3.09Å; L176-D194 PolarHBondContact O-N 3.28Å; D194-N196 PolarHBondContact O-N 2.95Å; D194-N196 WeakPolarHBondContact OD1-CA 3.33Å; D194-N196 WeakPolarHBondContact OD1-CB 3.46Å; D194-N196 PolarHBondContact OD1-N 3.3Å; D194-N196 PolarHBondContact OD1-ND2 3.23Å; D194-I197 HydrophobicContact CB-CB 4.29Å; D194-I197 HydrophobicContact CB-CD1 3.91Å; D194-I197 HydrophobicContact CB-CG1 4.11Å; D194-I197 PolarHBondContact O-N 2.81Å; D194-I197 WeakPolarHBondContact OD2-CD1 3.27Å
195P86.7Confident91.8Very high70 Ų7044.2 Ų44.246%0.45525%0.252SS..THydrogen-bonded Turntrans-75-0179.132.9-36.1000113.6T174T174-P195 CarbonylContact O-C 3.5Å
196N88Confident92.1Very high120 Ų12041.3 Ų41.364%0.64224%0.238SC*.THydrogen-bonded Turntrans-1083178.9-53.7-73.2000113D194 R263D194-N196 PolarHBondContact O-N 2.95Å; D194-N196 WeakPolarHBondContact OD1-CA 3.33Å; D194-N196 WeakPolarHBondContact OD1-CB 3.46Å; D194-N196 PolarHBondContact OD1-N 3.3Å; D194-N196 PolarHBondContact OD1-ND2 3.23Å; N196-R263 PolarHBondContact O-NH1 3.27Å
197I93.4Very high92.3Very high6 Ų640.8 Ų40.83%0.03123%0.228CC..  trans-119.3110.9177-57.4173.5000107.5L171 T175 L176 D194 L260 R263 V264 V267L171-I197 HydrophobicContact CD1-CG2 4.47Å; T175-I197 CarbonylContact C-O 3.5Å; T175-I197 VanDerWaalsContact CA-O 3.22Å; T175-I197 WeakPolarHBondContact CA-O 3.45Å; T175-I197 PolarHBondContact N-O 3.33Å; L176-I197 HydrophobicContact CB-CB 3.9Å; L176-I197 HydrophobicContact CB-CG2 3.92Å; L176-I197 HydrophobicContact CD2-CB 4.4Å; L176-I197 HydrophobicContact CD2-CD1 4.19Å; L176-I197 HydrophobicContact CD2-CG2 4.01Å; L176-I197 PolarHBondContact N-O 2.9Å; D194-I197 HydrophobicContact CB-CB 4.29Å; D194-I197 HydrophobicContact CB-CD1 3.91Å; D194-I197 HydrophobicContact CB-CG1 4.11Å; D194-I197 PolarHBondContact O-N 2.81Å; D194-I197 WeakPolarHBondContact OD2-CD1 3.27Å; I197-L260 HydrophobicContact CG2-CD1 3.76Å; I197-R263 HydrophobicContact CD1-CB 3.86Å; I197-R263 HydrophobicContact CG1-CB 4.08Å; I197-R263 HydrophobicContact CG2-CB 4.26Å; I197-V264 HydrophobicContact CG2-CG2 3.89Å; I197-V267 HydrophobicContact CD1-CG2 3.7Å
198G93.3Very high92.5Very high0 Ų044.8 Ų44.80%024%0.24CC..SBendtrans-163.9170.7178.400000110.4G173 S200 L201G173-G198 CarbonylContact O-C 3.37Å; G198-S200 PolarHBondContact O-N 2.92Å; G198-S200 VanDerWaalsContact O-N 3.11Å; G198-L201 WeakPolarHBondContact O-CB 3.4Å; G198-L201 PolarHBondContact O-N 3.3Å; G198-L201 VanDerWaalsContact O-N 3.09Å
199V94.1Very high92.5Very high19 Ų1943 Ų4312%0.11523%0.231CC..THydrogen-bonded Turntrans-57.3-25.3174.4-179.40000111.8G172 G173 L201 I202 T203 I286G172-V199 PolarHBondContact O-N 2.97Å; G173-V199 PolarHBondContact O-N 3.26Å; G173-V199 VanDerWaalsContact O-N 3.11Å; V199-L201 PolarHBondContact O-N 2.94Å; V199-I202 WeakPolarHBondContact O-CA 3.47Å; V199-I202 WeakPolarHBondContact O-CB 3.37Å; V199-I202 PolarHBondContact O-N 2.99Å; V199-T203 PolarHBondContact O-N 2.93Å; V199-T203 PolarHBondContact O-OG1 3.18Å; V199-I286 HydrophobicContact CG1-CD1 4.36Å; V199-I286 HydrophobicContact CG2-CD1 4.12Å
200S92.4Very high92.4Very high35 Ų3539.9 Ų39.925%0.24521%0.211CC..Hα-helixtrans-54.6-21.4174.866.70000114.1G173 G198 I202 T203 S204G173-S200 WeakPolarHBondContact O-CB 3.24Å; G173-S200 PolarHBondContact O-N 2.91Å; G173-S200 PolarHBondContact O-OG 2.9Å; G198-S200 PolarHBondContact O-N 2.92Å; G198-S200 VanDerWaalsContact O-N 3.11Å; S200-I202 VanDerWaalsContact C-N 3.29Å; S200-I202 PolarHBondContact O-N 2.83Å; S200-T203 PolarHBondContact O-N 2.81Å; S200-S204 VanDerWaalsContact O-CB 3.26Å; S200-S204 WeakPolarHBondContact O-CB 3.08Å; S200-S204 PolarHBondContact O-N 2.79Å; S200-S204 PolarHBondContact O-OG 2.82Å
201L94.7Very high92.3Very high26 Ų2638 Ų3814%0.13621%0.211CC..Hα-helixtrans-61.9-38.7171.2-175.267.3000111.8G198 V199 G205 L259 L260G198-L201 WeakPolarHBondContact O-CB 3.4Å; G198-L201 PolarHBondContact O-N 3.3Å; G198-L201 VanDerWaalsContact O-N 3.09Å; V199-L201 PolarHBondContact O-N 2.94Å; L201-G205 PolarHBondContact O-N 2.77Å; L201-L259 HydrophobicContact CD1-CD2 4.3Å; L201-L259 HydrophobicContact CD2-CB 4.27Å; L201-L259 HydrophobicContact CD2-CD2 3.97Å; L201-L259 HydrophobicContact CD2-CG 3.91Å; L201-L259 HydrophobicContact CG-CD2 4.49Å; L201-L260 HydrophobicContact CD2-CB 4.1Å; L201-L260 HydrophobicContact CD2-CD1 4.5Å
202I96Very high92Very high1 Ų141.4 Ų41.41%0.00523%0.231CC..Hα-helixtrans-75.9-47.3175-50.4178.4000109.1V199 S200 S204 G205 V206 I227 I253 R256 Q257 L260 I286V199-I202 WeakPolarHBondContact O-CA 3.47Å; V199-I202 WeakPolarHBondContact O-CB 3.37Å; V199-I202 PolarHBondContact O-N 2.99Å; S200-I202 VanDerWaalsContact C-N 3.29Å; S200-I202 PolarHBondContact O-N 2.83Å; I202-S204 VanDerWaalsContact C-N 3.28Å; I202-S204 PolarHBondContact O-N 2.91Å; I202-G205 WeakPolarHBondContact O-CA 3.36Å; I202-G205 PolarHBondContact O-N 3.08Å; I202-V206 PolarHBondContact O-N 3.19Å; I202-I227 HydrophobicContact CB-CD1 3.96Å; I202-I227 HydrophobicContact CG2-CD1 3.57Å; I202-I227 HydrophobicContact CG2-CG1 3.85Å; I202-I227 HydrophobicContact CG2-CG2 4.31Å; I202-I253 HydrophobicContact CG2-CB 4.3Å; I202-I253 HydrophobicContact CG2-CG1 4.19Å; I202-I253 HydrophobicContact CG2-CG2 3.94Å; I202-R256 HydrophobicContact CB-CB 4.24Å; I202-R256 HydrophobicContact CG1-CB 3.99Å; I202-R256 HydrophobicContact CG2-CB 4.34Å; I202-Q257 HydrophobicContact CD1-CB 4.1Å; I202-L260 HydrophobicContact CD1-CD2 3.87Å; I202-L260 HydrophobicContact CG1-CD2 4.23Å; I202-I286 HydrophobicContact CD1-CD1 4.22Å
203T93.7Very high91.6Very high6 Ų641.8 Ų41.84%0.03724%0.237CC..Hα-helixtrans-54-44.8178.7-45.50000111.8V199 S200 G205 V206 K207 A223 D224V199-T203 PolarHBondContact O-N 2.93Å; V199-T203 PolarHBondContact O-OG1 3.18Å; S200-T203 PolarHBondContact O-N 2.81Å; T203-G205 PolarHBondContact O-N 2.68Å; T203-V206 PolarHBondContact O-N 2.81Å; T203-K207 HydrophobicContact CG2-CD 4.28Å; T203-K207 WeakPolarHBondContact O-CG 3.21Å; T203-K207 PolarHBondContact O-N 2.86Å; T203-A223 HydrophobicContact CG2-CB 3.66Å; T203-D224 WeakPolarHBondContact CB-OD1 3.32Å; T203-D224 WeakPolarHBondContact CG2-OD1 3.28Å; T203-D224 PolarHBondContact OG1-OD1 3.2Å
204S93Very high91Very high68 Ų6841.6 Ų41.648%0.47624%0.238SC..Hα-helixtrans-65.8-38.9178.9-57.90000111.9S200 I202 K207 E208S200-S204 VanDerWaalsContact O-CB 3.26Å; S200-S204 WeakPolarHBondContact O-CB 3.08Å; S200-S204 PolarHBondContact O-N 2.79Å; S200-S204 PolarHBondContact O-OG 2.82Å; I202-S204 VanDerWaalsContact C-N 3.28Å; I202-S204 PolarHBondContact O-N 2.91Å; S204-K207 PolarHBondContact O-N 3.5Å; S204-E208 VanDerWaalsContact O-CB 3.31Å; S204-E208 WeakPolarHBondContact O-CB 3.37Å; S204-E208 PolarHBondContact O-N 2.9Å
205G94.4Very high90.6Very high2 Ų247.3 Ų47.32%0.02127%0.268CS..Hα-helixtrans-61.4-43.1174.200000112.5L201 I202 T203 Q209L201-G205 PolarHBondContact O-N 2.77Å; I202-G205 WeakPolarHBondContact O-CA 3.36Å; I202-G205 PolarHBondContact O-N 3.08Å; T203-G205 PolarHBondContact O-N 2.68Å; G205-Q209 VanDerWaalsContact O-CB 3.31Å; G205-Q209 WeakPolarHBondContact O-CB 3.39Å; G205-Q209 PolarHBondContact O-N 3.44Å
206V94.2Very high90.5Very high0 Ų046.9 Ų46.90%026%0.264CS..Hα-helixtrans-64.7-44.8176175.40000111.3I202 T203 Q209 M210 M218 A223 I226 I227 I249 I253I202-V206 PolarHBondContact O-N 3.19Å; T203-V206 PolarHBondContact O-N 2.81Å; V206-Q209 PolarHBondContact O-N 2.91Å; V206-M210 HydrophobicContact CG1-CG 4.47Å; V206-M210 WeakPolarHBondContact O-CB 3.22Å; V206-M210 WeakPolarHBondContact O-CG 3.41Å; V206-M210 PolarHBondContact O-N 3.29Å; V206-M218 HydrophobicContact CG1-SD 4.31Å; V206-A223 HydrophobicContact CB-CB 4.23Å; V206-A223 HydrophobicContact CG1-CB 4.03Å; V206-I226 HydrophobicContact CG1-CB 4.4Å; V206-I226 HydrophobicContact CG1-CD1 4.34Å; V206-I226 HydrophobicContact CG1-CG2 4.14Å; V206-I227 HydrophobicContact CG2-CD1 4.2Å; V206-I227 HydrophobicContact CG2-CG1 3.91Å; V206-I249 HydrophobicContact CG1-CG2 4.44Å; V206-I253 HydrophobicContact CG2-CD1 4.01Å; V206-I253 HydrophobicContact CG2-CG1 3.54Å
207K92.5Very high90.4Very high68 Ų6849.4 Ų49.430%0.29627%0.265SS..Hα-helixtrans-60.9-46177.6-72175.165.6166.70112.2T203 S204 Q209 M210 A211 M218 S220 A223T203-K207 HydrophobicContact CG2-CD 4.28Å; T203-K207 WeakPolarHBondContact O-CG 3.21Å; T203-K207 PolarHBondContact O-N 2.86Å; S204-K207 PolarHBondContact O-N 3.5Å; K207-Q209 VanDerWaalsContact C-N 3.34Å; K207-M210 PolarHBondContact O-N 2.91Å; K207-A211 WeakPolarHBondContact O-CB 3.36Å; K207-A211 PolarHBondContact O-N 3.48Å; K207-M218 WeakPolarHBondContact CE-O 2.96Å; K207-M218 HydrophobicContact CG-CG 3.9Å; K207-S220 PolarHBondContact NZ-OG 3.37Å; K207-A223 HydrophobicContact CD-CB 4.36Å; K207-A223 HydrophobicContact CG-CB 3.72Å
208E93.2Very high90.1Very high110 Ų11050 Ų5051%0.51427%0.268SS..Hα-helixtrans-59.4-46.3175.6-178.9178.3-160.600110.7S204 M210 A211 V212 R256S204-E208 VanDerWaalsContact O-CB 3.31Å; S204-E208 WeakPolarHBondContact O-CB 3.37Å; S204-E208 PolarHBondContact O-N 2.9Å; E208-M210 PolarHBondContact O-N 3.47Å; E208-A211 PolarHBondContact O-N 3.37Å; E208-V212 WeakPolarHBondContact O-CG2 3.13Å; E208-V212 PolarHBondContact O-N 3.27Å; E208-R256 IonicContact OE2-NH2 3.63Å; E208-R256 PolarHBondContact OE2-NH2 3.14Å
209Q92.1Very high89.8Confident25 Ų2550.1 Ų50.112%0.11727%0.268CS..Hα-helixtrans-63-42.5-178.9-167.760.91.700112.6G205 V206 K207 H213 S248 I249 V252G205-Q209 VanDerWaalsContact O-CB 3.31Å; G205-Q209 WeakPolarHBondContact O-CB 3.39Å; G205-Q209 PolarHBondContact O-N 3.44Å; V206-Q209 PolarHBondContact O-N 2.91Å; K207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-H213 VanDerWaalsContact CD-CE1 3.45Å; Q209-H213 PolarHBondContact NE2-CE1 3.42Å; Q209-H213 PolarHBondContact NE2-ND1 3.48Å; Q209-H213 VanDerWaalsContact NE2-ND1 3.12Å; Q209-H213 WeakPolarHBondContact O-CB 3.42Å; Q209-H213 PolarHBondContact O-N 3.44Å; Q209-H213 PolarHBondContact O-ND1 3.26Å; Q209-H213 PolarHBondContact OE1-CE1 2.93Å; Q209-H213 PolarHBondContact OE1-ND1 3.32Å; Q209-H213 VanDerWaalsContact OE1-ND1 3.15Å; Q209-S248 PolarHBondContact NE2-OG 3.03Å; Q209-I249 HydrophobicContact CB-CG1 4.45Å; Q209-I249 HydrophobicContact CG-CG1 3.86Å; Q209-V252 HydrophobicContact CB-CG2 4.38Å; Q209-V252 HydrophobicContact CG-CG2 4.07Å
210M89.9Confident89.5Confident12 Ų1251.8 Ų51.86%0.05928%0.281CS..Hα-helixtrans-67.4-38.5176-72.5-66.3-66.100112.5V206 K207 E208 A214 N215 T216 M218 I240 I249V206-M210 HydrophobicContact CG1-CG 4.47Å; V206-M210 WeakPolarHBondContact O-CB 3.22Å; V206-M210 WeakPolarHBondContact O-CG 3.41Å; V206-M210 PolarHBondContact O-N 3.29Å; K207-M210 PolarHBondContact O-N 2.91Å; E208-M210 PolarHBondContact O-N 3.47Å; M210-A214 HydrophobicContact CE-CB 4.14Å; M210-A214 CarbonylContact O-C 3.54Å; M210-A214 WeakPolarHBondContact O-CA 3.43Å; M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 2.86Å; M210-A214 HydrophobicContact SD-CB 4.33Å; M210-N215 PolarHBondContact O-N 2.93Å; M210-T216 CarbonylContact C-O 3.55Å; M210-T216 HydrophobicContact CE-CG2 4.15Å; M210-T216 PolarHBondContact O-N 3.14Å; M210-T216 VanDerWaalsContact O-N 3.12Å; M210-M218 HydrophobicContact CB-SD 3.82Å; M210-M218 HydrophobicContact CG-CE 4.4Å; M210-M218 HydrophobicContact CG-SD 3.58Å; M210-M218 VanDerWaalsContact CG-SD 3.58Å; M210-I240 HydrophobicContact CE-CG1 4.38Å; M210-I240 HydrophobicContact SD-CG1 4.24Å; M210-I249 HydrophobicContact CG-CD1 4.22Å; M210-I249 HydrophobicContact SD-CD1 3.38Å; M210-I249 WeakPolarHBondContact SD-CD1 3.14Å; M210-I249 HydrophobicContact SD-CG1 4.47Å
211A89.7Confident89.3Confident43 Ų4352.9 Ų52.936%0.35528%0.281SS..Hα-helixtrans-65.3-44.5176.700000111.7K207 E208 N215 T216K207-A211 WeakPolarHBondContact O-CB 3.36Å; K207-A211 PolarHBondContact O-N 3.48Å; E208-A211 PolarHBondContact O-N 3.37Å; A211-N215 VanDerWaalsContact O-CA 3.29Å; A211-N215 WeakPolarHBondContact O-CA 2.91Å; A211-N215 PolarHBondContact O-N 3.25Å; A211-T216 PolarHBondContact N-O 3.39Å
212V87.3Confident89Confident101 Ų10154.1 Ų54.161%0.61229%0.287SS*.Hα-helixtrans-75.6-45.7-176.4174.70000112.2E208E208-V212 WeakPolarHBondContact O-CG2 3.13Å; E208-V212 PolarHBondContact O-N 3.27Å
213H83.1Confident88.7Confident102 Ų10254.1 Ų54.147%0.47229%0.286SS..Hα-helixtrans-99.2-22.1-168.2-62.680.9000113.9Q209 Q245Q209-H213 VanDerWaalsContact CD-CE1 3.45Å; Q209-H213 PolarHBondContact NE2-CE1 3.42Å; Q209-H213 PolarHBondContact NE2-ND1 3.48Å; Q209-H213 VanDerWaalsContact NE2-ND1 3.12Å; Q209-H213 WeakPolarHBondContact O-CB 3.42Å; Q209-H213 PolarHBondContact O-N 3.44Å; Q209-H213 PolarHBondContact O-ND1 3.26Å; Q209-H213 PolarHBondContact OE1-CE1 2.93Å; Q209-H213 PolarHBondContact OE1-ND1 3.32Å; Q209-H213 VanDerWaalsContact OE1-ND1 3.15Å; H213-Q245 PolarHBondContact O-NE2 3.42Å
214A79.8Confident88.6Confident29 Ų2955.3 Ų55.324%0.2429%0.293CS..Hα-helixtrans-116.23.4179.100000112.8M210 T216M210-A214 HydrophobicContact CE-CB 4.14Å; M210-A214 CarbonylContact O-C 3.54Å; M210-A214 WeakPolarHBondContact O-CA 3.43Å; M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 2.86Å; M210-A214 HydrophobicContact SD-CB 4.33Å; A214-T216 PolarHBondContact O-N 3.42Å; A214-T216 PolarHBondContact O-OG1 3.2Å
215N81.8Confident88.5Confident151 Ų15154 Ų5481%0.80728%0.28SS*.  trans46.334-173.6-165.341000112.6M210 A211M210-N215 PolarHBondContact O-N 2.93Å; A211-N215 VanDerWaalsContact O-CA 3.29Å; A211-N215 WeakPolarHBondContact O-CA 2.91Å; A211-N215 PolarHBondContact O-N 3.25Å
216T84.4Confident88.4Confident60 Ų6054 Ų5437%0.36828%0.28SS..  trans-117.1112.9-170.8-63.70000108.4M210 A211 A214M210-T216 CarbonylContact C-O 3.55Å; M210-T216 HydrophobicContact CE-CG2 4.15Å; M210-T216 PolarHBondContact O-N 3.14Å; M210-T216 VanDerWaalsContact O-N 3.12Å; A211-T216 PolarHBondContact N-O 3.39Å; A214-T216 PolarHBondContact O-N 3.42Å; A214-T216 PolarHBondContact O-OG1 3.2Å
217R85.8Confident88.3Confident173 Ų17354.4 Ų54.465%0.65328%0.282SS*.  trans-78.1136.5167.8-68.4-178.164.5-154.5-11108.3A62 D63A62-R217 HydrophobicContact CB-CB 4.12Å; D63-R217 IonicContact OD1-CZ 2.81Å; D63-R217 IonicContact OD1-NH1 3.3Å; D63-R217 IonicContact OD1-NH2 3.67Å; D63-R217 PolarHBondContact OD1-NH2 3.35Å
218M86.2Confident88.2Confident19 Ų1955.7 Ų55.79%0.09430%0.295CS..  trans-139.1155.4-18076-168.4-37.400112.1V206 K207 M210 Q222 A223 I226V206-M218 HydrophobicContact CG1-SD 4.31Å; K207-M218 WeakPolarHBondContact CE-O 2.96Å; K207-M218 HydrophobicContact CG-CG 3.9Å; M210-M218 HydrophobicContact CB-SD 3.82Å; M210-M218 HydrophobicContact CG-CE 4.4Å; M210-M218 HydrophobicContact CG-SD 3.58Å; M210-M218 VanDerWaalsContact CG-SD 3.58Å; M218-Q222 HydrophobicContact CB-CB 4.31Å; M218-Q222 HydrophobicContact CE-CB 3.75Å; M218-A223 HydrophobicContact CG-CB 4.41Å; M218-A223 HydrophobicContact SD-CB 4.12Å; M218-I226 HydrophobicContact CE-CD1 3.47Å; M218-I226 VanDerWaalsContact CE-CD1 3.47Å; M218-I226 HydrophobicContact SD-CD1 4.41Å
219S86.8Confident88.2Confident2 Ų252.7 Ų52.71%0.01428%0.281CS..  trans-71.4157.7175.377.60000111P59 S61 F221 Q222 A223P59-S219 PolarHBondContact O-OG 3.16Å; S61-S219 WeakPolarHBondContact O-CB 3.3Å; S219-F221 PolarHBondContact O-N 3.46Å; S219-Q222 VanDerWaalsContact N-OE1 3.15Å; S219-Q222 PolarHBondContact O-N 3.1Å; S219-Q222 WeakPolarHBondContact OG-CG 3.38Å; S219-Q222 PolarHBondContact OG-N 3.38Å; S219-Q222 VanDerWaalsContact OG-N 3.1Å; S219-A223 PolarHBondContact O-N 3.28Å; S219-A223 VanDerWaalsContact O-N 3.15Å
220S88.1Confident88.2Confident54 Ų5454.3 Ų54.338%0.37829%0.286SS..Hα-helixtrans-60.6-37.2173.2-60.50000111.2K207 Q222 A223 D224K207-S220 PolarHBondContact NZ-OG 3.37Å; S220-Q222 PolarHBondContact O-N 2.91Å; S220-A223 PolarHBondContact O-N 3.23Å; S220-D224 WeakPolarHBondContact O-CB 3.22Å; S220-D224 PolarHBondContact O-N 2.72Å
221F87.9Confident88.2Confident58 Ų5859.8 Ų59.825%0.25432%0.316SS..Hα-helixtrans-58.3-44.1174.7178.6-102.8000112.8P28 P59 S219 D224 N225P28-F221 HydrophobicContact CB-CD2 3.63Å; P28-F221 HydrophobicContact CB-CE2 3.73Å; P28-F221 HydrophobicContact CG-CD2 4.03Å; P28-F221 HydrophobicContact CG-CE2 3.69Å; P28-F221 HydrophobicContact CG-CZ 4.46Å; P59-F221 HydrophobicContact CB-CD1 3.65Å; P59-F221 HydrophobicContact CB-CE1 3.65Å; P59-F221 HydrophobicContact CB-CG 4.49Å; P59-F221 HydrophobicContact CB-CZ 4.49Å; S219-F221 PolarHBondContact O-N 3.46Å; F221-D224 PolarHBondContact O-N 2.82Å; F221-N225 WeakPolarHBondContact CD1-ND2 3.18Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.46Å; F221-N225 VanDerWaalsContact CZ-ND2 3.34Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.5Å; F221-N225 PolarHBondContact O-N 3.03Å; F221-N225 PolarHBondContact O-ND2 2.8Å
222Q88.8Confident88.4Confident53 Ų5362.1 Ų62.125%0.24832%0.319CS..Hα-helixtrans-65.6-40.4176.8-72.4174.7-39.600112.2M218 S219 S220 N225 I226M218-Q222 HydrophobicContact CB-CB 4.31Å; M218-Q222 HydrophobicContact CE-CB 3.75Å; S219-Q222 VanDerWaalsContact N-OE1 3.15Å; S219-Q222 PolarHBondContact O-N 3.1Å; S219-Q222 WeakPolarHBondContact OG-CG 3.38Å; S219-Q222 PolarHBondContact OG-N 3.38Å; S219-Q222 VanDerWaalsContact OG-N 3.1Å; S220-Q222 PolarHBondContact O-N 2.91Å; Q222-N225 PolarHBondContact O-N 3.11Å; Q222-I226 PolarHBondContact O-N 2.95Å; Q222-I226 VanDerWaalsContact O-N 3.14Å
223A90.9Very high88.6Confident0 Ų061.5 Ų61.50%032%0.317CS..Hα-helixtrans-64.8-41.717600000111.7T203 V206 K207 M218 S219 S220 N225 I226 I227T203-A223 HydrophobicContact CG2-CB 3.66Å; V206-A223 HydrophobicContact CB-CB 4.23Å; V206-A223 HydrophobicContact CG1-CB 4.03Å; K207-A223 HydrophobicContact CD-CB 4.36Å; K207-A223 HydrophobicContact CG-CB 3.72Å; M218-A223 HydrophobicContact CG-CB 4.41Å; M218-A223 HydrophobicContact SD-CB 4.12Å; S219-A223 PolarHBondContact O-N 3.28Å; S219-A223 VanDerWaalsContact O-N 3.15Å; S220-A223 PolarHBondContact O-N 3.23Å; A223-N225 VanDerWaalsContact C-N 3.33Å; A223-N225 PolarHBondContact O-N 2.67Å; A223-I226 WeakPolarHBondContact O-CB 3.46Å; A223-I226 PolarHBondContact O-N 2.93Å; A223-I226 VanDerWaalsContact O-N 3.13Å; A223-I227 WeakPolarHBondContact O-CG1 3.31Å; A223-I227 PolarHBondContact O-N 2.71Å
224D91.1Very high89.1Confident31 Ų3161.9 Ų61.917%0.16632%0.323CS..Hα-helixtrans-61.2-41.4175.9-68-20.4000111.5T203 S220 F221 I226 I227 V228T203-D224 WeakPolarHBondContact CB-OD1 3.32Å; T203-D224 WeakPolarHBondContact CG2-OD1 3.28Å; T203-D224 PolarHBondContact OG1-OD1 3.2Å; S220-D224 WeakPolarHBondContact O-CB 3.22Å; S220-D224 PolarHBondContact O-N 2.72Å; F221-D224 PolarHBondContact O-N 2.82Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.44Å; D224-I227 WeakPolarHBondContact O-CB 3.27Å; D224-I227 PolarHBondContact O-N 3.38Å; D224-I227 VanDerWaalsContact O-N 3.1Å; D224-V228 WeakPolarHBondContact O-CG2 3.16Å; D224-V228 PolarHBondContact O-N 2.87Å
225N91Very high89.7Confident40 Ų4061.8 Ų61.821%0.21432%0.316CS..Hα-helixtrans-64.7-35.4175.1-68.8-48000112.7F221 Q222 A223 I227 H229 Y235F221-N225 WeakPolarHBondContact CD1-ND2 3.18Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.46Å; F221-N225 VanDerWaalsContact CZ-ND2 3.34Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.5Å; F221-N225 PolarHBondContact O-N 3.03Å; F221-N225 PolarHBondContact O-ND2 2.8Å; Q222-N225 PolarHBondContact O-N 3.11Å; A223-N225 VanDerWaalsContact C-N 3.33Å; A223-N225 PolarHBondContact O-N 2.67Å; N225-I227 VanDerWaalsContact C-N 3.3Å; N225-H229 WeakPolarHBondContact O-CB 3.16Å; N225-H229 PolarHBondContact O-CD2 3.2Å; N225-H229 PolarHBondContact O-N 2.84Å; N225-Y235 WeakPolarHBondContact CB-OH 3.34Å
226I92.5Very high90.2Very high2 Ų254.9 Ų54.91%0.0128%0.28CS..Hα-helixtrans-63.6-39.9172.3-71.7173.2000110.6V206 M218 Q222 A223 D224 H229 R230 L236 I240 I249 I253V206-I226 HydrophobicContact CG1-CB 4.4Å; V206-I226 HydrophobicContact CG1-CD1 4.34Å; V206-I226 HydrophobicContact CG1-CG2 4.14Å; M218-I226 HydrophobicContact CE-CD1 3.47Å; M218-I226 VanDerWaalsContact CE-CD1 3.47Å; M218-I226 HydrophobicContact SD-CD1 4.41Å; Q222-I226 PolarHBondContact O-N 2.95Å; Q222-I226 VanDerWaalsContact O-N 3.14Å; A223-I226 WeakPolarHBondContact O-CB 3.46Å; A223-I226 PolarHBondContact O-N 2.93Å; A223-I226 VanDerWaalsContact O-N 3.13Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.44Å; I226-H229 CarbonylContact O-C 3.42Å; I226-R230 WeakPolarHBondContact O-CA 3.25Å; I226-R230 WeakPolarHBondContact O-CB 3.39Å; I226-R230 PolarHBondContact O-N 3.35Å; I226-L236 HydrophobicContact CG2-CD2 3.99Å; I226-I240 HydrophobicContact CD1-CD1 4.27Å; I226-I249 HydrophobicContact CG2-CG2 3.87Å; I226-I253 HydrophobicContact CG2-CD1 4.32Å
227I92.2Very high90.5Very high9 Ų953.9 Ų53.95%0.04628%0.275CS..Hα-helixtrans-64.4-48.5178.4-66.3162.6000110.4I202 V206 A223 D224 N225 H229 R230 I253I202-I227 HydrophobicContact CB-CD1 3.96Å; I202-I227 HydrophobicContact CG2-CD1 3.57Å; I202-I227 HydrophobicContact CG2-CG1 3.85Å; I202-I227 HydrophobicContact CG2-CG2 4.31Å; V206-I227 HydrophobicContact CG2-CD1 4.2Å; V206-I227 HydrophobicContact CG2-CG1 3.91Å; A223-I227 WeakPolarHBondContact O-CG1 3.31Å; A223-I227 PolarHBondContact O-N 2.71Å; D224-I227 WeakPolarHBondContact O-CB 3.27Å; D224-I227 PolarHBondContact O-N 3.38Å; D224-I227 VanDerWaalsContact O-N 3.1Å; N225-I227 VanDerWaalsContact C-N 3.3Å; I227-H229 PolarHBondContact O-N 3.28Å; I227-R230 WeakPolarHBondContact O-CB 3.3Å; I227-R230 VanDerWaalsContact O-CD 3.25Å; I227-R230 WeakPolarHBondContact O-CD 3.34Å; I227-R230 VanDerWaalsContact O-CG 3.23Å; I227-R230 WeakPolarHBondContact O-CG 3.26Å; I227-R230 PolarHBondContact O-N 3.11Å; I227-R230 PolarHBondContact O-NH1 3.23Å; I227-I253 HydrophobicContact CG1-CD1 4.27Å; I227-I253 HydrophobicContact CG1-CG1 4.28Å
228V90.5Very high90.7Very high95 Ų9553.1 Ų53.158%0.57627%0.272SS*.Hα-helixtrans-58.3-49.2178.8171.20000110.6D224 R230D224-V228 WeakPolarHBondContact O-CG2 3.16Å; D224-V228 PolarHBondContact O-N 2.87Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 2.85Å
229H92Very high90.7Very high47 Ų4758 Ų5822%0.21829%0.289CS..THydrogen-bonded Turntrans-92.720.7-175.7-60.1-68.2000113.9N225 I226 I227 N231 E232 Y235N225-H229 WeakPolarHBondContact O-CB 3.16Å; N225-H229 PolarHBondContact O-CD2 3.2Å; N225-H229 PolarHBondContact O-N 2.84Å; I226-H229 CarbonylContact O-C 3.42Å; I227-H229 PolarHBondContact O-N 3.28Å; H229-N231 PolarHBondContact O-N 3.2Å; H229-N231 VanDerWaalsContact O-N 3.09Å; H229-E232 HydrophobicContact CB-CB 4.36Å; H229-E232 IonicContact CE1-OE1 3.68Å; H229-E232 IonicContact CG-OE1 3.73Å; H229-E232 IonicContact CG-OE2 3.91Å; H229-E232 IonicContact ND1-OE1 2.75Å; H229-E232 PolarHBondContact ND1-OE1 2.85Å; H229-E232 IonicContact ND1-OE2 3.23Å; H229-E232 PolarHBondContact ND1-OE2 2.63Å; H229-E232 WeakPolarHBondContact O-CB 3.25Å; H229-E232 PolarHBondContact O-N 3.11Å; H229-Y235 HydrophobicContact CB-CD1 3.29Å; H229-Y235 HydrophobicContact CB-CD2 3.89Å; H229-Y235 HydrophobicContact CB-CE1 3.68Å; H229-Y235 HydrophobicContact CB-CE2 4.23Å; H229-Y235 HydrophobicContact CB-CG 3.43Å; H229-Y235 VanDerWaalsContact CB-CG 3.43Å; H229-Y235 AromaticContact CD2-CD2 3.75Å; H229-Y235 AromaticContact CD2-CE1 3.91Å; H229-Y235 AromaticContact CD2-CE2 3.37Å; H229-Y235 WeakPolarHBondContact CD2-CE2 3.23Å; H229-Y235 AromaticContact CD2-CZ 3.47Å; H229-Y235 VanDerWaalsContact CD2-CZ 3.47Å; H229-Y235 AromaticContact CG-CD1 3.99Å; H229-Y235 AromaticContact CG-CD2 3.73Å; H229-Y235 AromaticContact CG-CE2 3.84Å; H229-Y235 AromaticContact CG-CG 3.82Å; H229-Y235 AromaticContact NE2-CE2 3.93Å
230R92.3Very high90.7Very high59 Ų5958.1 Ų58.122%0.22329%0.29CS..THydrogen-bonded Turntrans-59.8-24-176.169-169.4175.2-74.52.6114.4I226 I227 V228 L236 I253I226-R230 WeakPolarHBondContact O-CA 3.25Å; I226-R230 WeakPolarHBondContact O-CB 3.39Å; I226-R230 PolarHBondContact O-N 3.35Å; I227-R230 WeakPolarHBondContact O-CB 3.3Å; I227-R230 VanDerWaalsContact O-CD 3.25Å; I227-R230 WeakPolarHBondContact O-CD 3.34Å; I227-R230 VanDerWaalsContact O-CG 3.23Å; I227-R230 WeakPolarHBondContact O-CG 3.26Å; I227-R230 PolarHBondContact O-N 3.11Å; I227-R230 PolarHBondContact O-NH1 3.23Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 2.85Å; R230-L236 WeakPolarHBondContact O-CD1 3.49Å; R230-I253 HydrophobicContact CB-CD1 3.99Å
231N90.9Very high90.6Very high128 Ų12864.9 Ų64.968%0.68431%0.308SS*.THydrogen-bonded Turntrans-97.79179.4-64-31.6000112.7H229 P233H229-N231 PolarHBondContact O-N 3.2Å; H229-N231 VanDerWaalsContact O-N 3.09Å; N231-P233 WeakPolarHBondContact O-CD 3.33Å
232E94.1Very high90.6Very high92 Ų9265.4 Ų65.443%0.4331%0.314SS..  trans-108.596.1179.2-67.3175.1-142.700110H229 D234 Y235 L236H229-E232 HydrophobicContact CB-CB 4.36Å; H229-E232 IonicContact CE1-OE1 3.68Å; H229-E232 IonicContact CG-OE1 3.73Å; H229-E232 IonicContact CG-OE2 3.91Å; H229-E232 IonicContact ND1-OE1 2.75Å; H229-E232 PolarHBondContact ND1-OE1 2.85Å; H229-E232 IonicContact ND1-OE2 3.23Å; H229-E232 PolarHBondContact ND1-OE2 2.63Å; H229-E232 WeakPolarHBondContact O-CB 3.25Å; H229-E232 PolarHBondContact O-N 3.11Å; E232-D234 PolarHBondContact O-N 3.39Å; E232-D234 VanDerWaalsContact O-N 3.16Å; E232-Y235 WeakPolarHBondContact O-CB 3.41Å; E232-Y235 PolarHBondContact O-N 2.9Å; E232-L236 PolarHBondContact O-N 3.47Å; E232-L236 VanDerWaalsContact O-N 3.13Å
233P90.2Very high90.7Very high88 Ų8865.7 Ų65.757%0.57133%0.325SS*.Hα-helixtrans-57.2-36-174.5-26.735.5000113.6N231 S237N231-P233 WeakPolarHBondContact O-CD 3.33Å; P233-S237 VanDerWaalsContact O-CB 3.24Å; P233-S237 WeakPolarHBondContact O-CB 3.39Å; P233-S237 PolarHBondContact O-N 2.76Å; P233-S237 PolarHBondContact O-OG 2.82Å; P233-S237 VanDerWaalsContact O-OG 3.11Å
234D93.6Very high90.7Very high109 Ų10972.9 Ų72.958%0.58336%0.359SS*.Hα-helixtrans-71.8-31.2179-72.3-8.4000112.9E232 S237 R238E232-D234 PolarHBondContact O-N 3.39Å; E232-D234 VanDerWaalsContact O-N 3.16Å; D234-S237 PolarHBondContact O-OG 3.12Å; D234-R238 VanDerWaalsContact O-CG 3.3Å; D234-R238 WeakPolarHBondContact O-CG 3.33Å; D234-R238 PolarHBondContact O-NH1 2.99Å
235Y93.5Very high90.6Very high28 Ų2873.9 Ų73.911%0.1136%0.362CS..Hα-helixtrans-70.5-45.2174.9-178.7-83.8000110.4N225 H229 E232 R239N225-Y235 WeakPolarHBondContact CB-OH 3.34Å; H229-Y235 HydrophobicContact CB-CD1 3.29Å; H229-Y235 HydrophobicContact CB-CD2 3.89Å; H229-Y235 HydrophobicContact CB-CE1 3.68Å; H229-Y235 HydrophobicContact CB-CE2 4.23Å; H229-Y235 HydrophobicContact CB-CG 3.43Å; H229-Y235 VanDerWaalsContact CB-CG 3.43Å; H229-Y235 AromaticContact CD2-CD2 3.75Å; H229-Y235 AromaticContact CD2-CE1 3.91Å; H229-Y235 AromaticContact CD2-CE2 3.37Å; H229-Y235 WeakPolarHBondContact CD2-CE2 3.23Å; H229-Y235 AromaticContact CD2-CZ 3.47Å; H229-Y235 VanDerWaalsContact CD2-CZ 3.47Å; H229-Y235 AromaticContact CG-CD1 3.99Å; H229-Y235 AromaticContact CG-CD2 3.73Å; H229-Y235 AromaticContact CG-CE2 3.84Å; H229-Y235 AromaticContact CG-CG 3.82Å; H229-Y235 AromaticContact NE2-CE2 3.93Å; E232-Y235 WeakPolarHBondContact O-CB 3.41Å; E232-Y235 PolarHBondContact O-N 2.9Å; Y235-R239 VanDerWaalsContact CD2-NH1 3.27Å; Y235-R239 VanDerWaalsContact CE2-NH2 3.25Å; Y235-R239 PolarHBondContact O-NH1 3.46Å; Y235-R239 VanDerWaalsContact O-NH1 3.17Å; Y235-R239 PolarHBondContact OH-NE 2.98Å; Y235-R239 VanDerWaalsContact OH-NE 3.12Å; Y235-R239 PolarHBondContact OH-NH2 2.95Å
236L91.4Very high90.6Very high6 Ų675.1 Ų75.13%0.03136%0.364CS..Hα-helixtrans-69.3-43.9-179-66-176.3000112.3I226 R230 E232 R238 R239 I240 R246 I250I226-L236 HydrophobicContact CG2-CD2 3.99Å; R230-L236 WeakPolarHBondContact O-CD1 3.49Å; E232-L236 PolarHBondContact O-N 3.47Å; E232-L236 VanDerWaalsContact O-N 3.13Å; L236-R238 PolarHBondContact O-N 2.87Å; L236-R239 PolarHBondContact O-N 3.46Å; L236-I240 HydrophobicContact CD2-CD1 4.34Å; L236-I240 PolarHBondContact O-N 3.13Å; L236-R246 HydrophobicContact CB-CG 4.4Å; L236-I250 HydrophobicContact CD1-CD1 4.07Å; L236-I250 HydrophobicContact CD1-CG1 4.29Å
237S91.1Very high90.6Very high38 Ų3881 Ų8127%0.26639%0.391SS..Hα-helixtrans-61.6-30.8-177.965.10000113.5P233 D234 R239P233-S237 VanDerWaalsContact O-CB 3.24Å; P233-S237 WeakPolarHBondContact O-CB 3.39Å; P233-S237 PolarHBondContact O-N 2.76Å; P233-S237 PolarHBondContact O-OG 2.82Å; P233-S237 VanDerWaalsContact O-OG 3.11Å; D234-S237 PolarHBondContact O-OG 3.12Å; S237-R239 VanDerWaalsContact C-N 3.31Å; S237-R239 PolarHBondContact O-N 2.92Å
238R89.8Confident90.6Very high158 Ų15882.3 Ų82.360%0.59640%0.402SS*.THydrogen-bonded Turntrans-72-21.4175.7-70.6-179.6-168.6111.1-5.9113.9D234 L236D234-R238 VanDerWaalsContact O-CG 3.3Å; D234-R238 WeakPolarHBondContact O-CG 3.33Å; D234-R238 PolarHBondContact O-NH1 2.99Å; L236-R238 PolarHBondContact O-N 2.87Å
239R86.6Confident90.8Very high122 Ų12278 Ų7846%0.4638%0.375SS..THydrogen-bonded Turntrans-108.8-30.4-176.7-70.5176.7178.773.7-1.9112.8Y235 L236 S237Y235-R239 VanDerWaalsContact CD2-NH1 3.27Å; Y235-R239 VanDerWaalsContact CE2-NH2 3.25Å; Y235-R239 PolarHBondContact O-NH1 3.46Å; Y235-R239 VanDerWaalsContact O-NH1 3.17Å; Y235-R239 PolarHBondContact OH-NE 2.98Å; Y235-R239 VanDerWaalsContact OH-NE 3.12Å; Y235-R239 PolarHBondContact OH-NH2 2.95Å; L236-R239 PolarHBondContact O-N 3.46Å; S237-R239 VanDerWaalsContact C-N 3.31Å; S237-R239 PolarHBondContact O-N 2.92Å
240I86.8Confident90.9Very high4 Ų478.3 Ų78.32%0.02138%0.378CS..  trans-129.893.6-176.4-52.9154.5000106.6M210 I226 L236 N242 Q245 R246 I249M210-I240 HydrophobicContact CE-CG1 4.38Å; M210-I240 HydrophobicContact SD-CG1 4.24Å; I226-I240 HydrophobicContact CD1-CD1 4.27Å; L236-I240 HydrophobicContact CD2-CD1 4.34Å; L236-I240 PolarHBondContact O-N 3.13Å; I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.38Å; I240-Q245 HydrophobicContact CG2-CB 3.7Å; I240-R246 HydrophobicContact CB-CG 3.67Å; I240-R246 HydrophobicContact CD1-CG 4.45Å; I240-R246 HydrophobicContact CG2-CG 3.6Å; I240-R246 WeakPolarHBondContact O-CD 3.16Å; I240-R246 WeakPolarHBondContact O-CG 3.26Å; I240-R246 PolarHBondContact O-NE 3.23Å; I240-I249 HydrophobicContact CD1-CD1 3.44Å; I240-I249 VanDerWaalsContact CD1-CD1 3.44Å; I240-I249 HydrophobicContact CG1-CD1 4.11Å; I240-I249 HydrophobicContact CG2-CD1 4.22Å
241Y84.8Confident91Very high196 Ų19679.7 Ų79.777%0.76939%0.39SS*.  trans-67.6-34.6-173.1-64.2-74.9000112.9
242N88.7Confident91.3Very high68 Ų6874.6 Ų74.636%0.36436%0.363SS..  trans-77.9130.3-178178.9-55.3000111I240 E244 Q245 R246I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.38Å; N242-E244 WeakPolarHBondContact OD1-CA 3.37Å; N242-E244 WeakPolarHBondContact OD1-CB 3.38Å; N242-E244 PolarHBondContact OD1-N 3.09Å; N242-Q245 HydrophobicContact CB-CB 4.02Å; N242-Q245 HydrophobicContact CB-CG 3.89Å; N242-Q245 PolarHBondContact OD1-N 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.4Å; N242-R246 PolarHBondContact O-N 3.49Å; N242-R246 VanDerWaalsContact O-N 3.16Å
243A89.9Confident91.4Very high60 Ų6070.2 Ų70.250%0.49634%0.343SS..Hα-helixtrans-67.7-42.5-178.900000113.6Q245 R246 E247A243-Q245 VanDerWaalsContact C-N 3.33Å; A243-Q245 PolarHBondContact O-N 3Å; A243-R246 WeakPolarHBondContact O-CB 3.48Å; A243-R246 PolarHBondContact O-N 2.82Å; A243-E247 PolarHBondContact O-N 2.76Å
244E90.7Very high91.7Very high151 Ų15169.3 Ų69.371%0.70633%0.333SS*.Hα-helixtrans-64.2-39.2177.7-60.8175.7177.400111N242 E247 S248N242-E244 WeakPolarHBondContact OD1-CA 3.37Å; N242-E244 WeakPolarHBondContact OD1-CB 3.38Å; N242-E244 PolarHBondContact OD1-N 3.09Å; E244-E247 PolarHBondContact O-N 3.11Å; E244-S248 WeakPolarHBondContact O-CB 3.44Å; E244-S248 PolarHBondContact O-N 2.91Å
245Q89.5Confident91.9Very high51 Ų5170 Ų7024%0.23833%0.333CS..Hα-helixtrans-62.8-41.8173.9-72.2178.7-13.900111.7H213 I240 N242 A243 S248 I249H213-Q245 PolarHBondContact O-NE2 3.42Å; I240-Q245 HydrophobicContact CG2-CB 3.7Å; N242-Q245 HydrophobicContact CB-CB 4.02Å; N242-Q245 HydrophobicContact CB-CG 3.89Å; N242-Q245 PolarHBondContact OD1-N 3.26Å; A243-Q245 VanDerWaalsContact C-N 3.33Å; A243-Q245 PolarHBondContact O-N 3Å; Q245-S248 PolarHBondContact O-N 3.1Å; Q245-I249 WeakPolarHBondContact O-CD1 3.49Å; Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.34Å; Q245-I249 PolarHBondContact O-N 3.41Å
246R91.7Very high92.1Very high67 Ų6771.8 Ų71.825%0.25334%0.339SS..Hα-helixtrans-60.4-49175.9-75.8-178-72.8163.20.1111.7L236 I240 N242 A243 S248 I249 I250L236-R246 HydrophobicContact CB-CG 4.4Å; I240-R246 HydrophobicContact CB-CG 3.67Å; I240-R246 HydrophobicContact CD1-CG 4.45Å; I240-R246 HydrophobicContact CG2-CG 3.6Å; I240-R246 WeakPolarHBondContact O-CD 3.16Å; I240-R246 WeakPolarHBondContact O-CG 3.26Å; I240-R246 PolarHBondContact O-NE 3.23Å; N242-R246 WeakPolarHBondContact O-CG 3.4Å; N242-R246 PolarHBondContact O-N 3.49Å; N242-R246 VanDerWaalsContact O-N 3.16Å; A243-R246 WeakPolarHBondContact O-CB 3.48Å; A243-R246 PolarHBondContact O-N 2.82Å; R246-S248 VanDerWaalsContact C-N 3.31Å; R246-S248 PolarHBondContact O-N 2.74Å; R246-I249 PolarHBondContact O-N 3.11Å; R246-I250 WeakPolarHBondContact O-CG1 3.02Å; R246-I250 PolarHBondContact O-N 3.47Å
247E92.6Very high92.4Very high124 Ų12473.6 Ų73.658%0.57935%0.348SS*.Hα-helixtrans-60.6-43.6177.5-174.9178.7179.700111.3A243 E244 I249 I250 N251A243-E247 PolarHBondContact O-N 2.76Å; E244-E247 PolarHBondContact O-N 3.11Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3Å; E247-I250 PolarHBondContact O-N 2.86Å; E247-N251 PolarHBondContact O-N 3.48Å; E247-N251 PolarHBondContact O-ND2 2.8Å
248S92.5Very high92.7Very high38 Ų3879.1 Ų79.127%0.26637%0.367SS..Hα-helixtrans-60.9-41.2178.4-166.40000112.7Q209 E244 Q245 R246 N251 V252Q209-S248 PolarHBondContact NE2-OG 3.03Å; E244-S248 WeakPolarHBondContact O-CB 3.44Å; E244-S248 PolarHBondContact O-N 2.91Å; Q245-S248 PolarHBondContact O-N 3.1Å; R246-S248 VanDerWaalsContact C-N 3.31Å; R246-S248 PolarHBondContact O-N 2.74Å; S248-N251 PolarHBondContact O-N 3.32Å; S248-V252 WeakPolarHBondContact O-CG2 3.4Å; S248-V252 PolarHBondContact O-N 3.47Å
249I93.1Very high93.1Very high4 Ų474.3 Ų74.32%0.02135%0.353CS..Hα-helixtrans-65.9-42.5175.9-72.4160.1000111.4V206 Q209 M210 I226 I240 Q245 R246 E247 N251 V252 I253V206-I249 HydrophobicContact CG1-CG2 4.44Å; Q209-I249 HydrophobicContact CB-CG1 4.45Å; Q209-I249 HydrophobicContact CG-CG1 3.86Å; M210-I249 HydrophobicContact CG-CD1 4.22Å; M210-I249 HydrophobicContact SD-CD1 3.38Å; M210-I249 WeakPolarHBondContact SD-CD1 3.14Å; M210-I249 HydrophobicContact SD-CG1 4.47Å; I226-I249 HydrophobicContact CG2-CG2 3.87Å; I240-I249 HydrophobicContact CD1-CD1 3.44Å; I240-I249 VanDerWaalsContact CD1-CD1 3.44Å; I240-I249 HydrophobicContact CG1-CD1 4.11Å; I240-I249 HydrophobicContact CG2-CD1 4.22Å; Q245-I249 WeakPolarHBondContact O-CD1 3.49Å; Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.34Å; Q245-I249 PolarHBondContact O-N 3.41Å; R246-I249 PolarHBondContact O-N 3.11Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3Å; I249-N251 VanDerWaalsContact C-N 3.29Å; I249-N251 PolarHBondContact O-N 2.84Å; I249-V252 PolarHBondContact O-N 3.31Å; I249-I253 HydrophobicContact CG2-CD1 3.89Å; I249-I253 HydrophobicContact CG2-CG1 4.49Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.46Å; I249-I253 PolarHBondContact O-N 3Å
250I94.4Very high93.6Very high54 Ų5468.5 Ų68.528%0.27733%0.331SS..Hα-helixtrans-60-42.9175.1-68.8165.2000110.4L236 R246 E247 I253 N254L236-I250 HydrophobicContact CD1-CD1 4.07Å; L236-I250 HydrophobicContact CD1-CG1 4.29Å; R246-I250 WeakPolarHBondContact O-CG1 3.02Å; R246-I250 PolarHBondContact O-N 3.47Å; E247-I250 PolarHBondContact O-N 2.86Å; I250-I253 PolarHBondContact O-N 3.02Å; I250-N254 VanDerWaalsContact O-CG 3.3Å; I250-N254 PolarHBondContact O-N 3.1Å; I250-N254 PolarHBondContact O-ND2 3.04Å
251N95.7Very high94.2Very high87 Ų8770 Ų7047%0.46534%0.339SS..Hα-helixtrans-62.1-45177-72.7-25.6000112.1E247 S248 I249 I253 N254 E255E247-N251 PolarHBondContact O-N 3.48Å; E247-N251 PolarHBondContact O-ND2 2.8Å; S248-N251 PolarHBondContact O-N 3.32Å; I249-N251 VanDerWaalsContact C-N 3.29Å; I249-N251 PolarHBondContact O-N 2.84Å; N251-I253 PolarHBondContact O-N 2.68Å; N251-N254 PolarHBondContact O-N 2.62Å; N251-E255 WeakPolarHBondContact O-CB 3.46Å; N251-E255 PolarHBondContact O-N 3.41Å
252V96.1Very high94.8Very high21 Ų2166.9 Ų66.913%0.12733%0.329CS..Hα-helixtrans-61.2-43.4175.1169.20000111.3Q209 S248 I249 N254 E255 R256Q209-V252 HydrophobicContact CB-CG2 4.38Å; Q209-V252 HydrophobicContact CG-CG2 4.07Å; S248-V252 WeakPolarHBondContact O-CG2 3.4Å; S248-V252 PolarHBondContact O-N 3.47Å; I249-V252 PolarHBondContact O-N 3.31Å; V252-N254 VanDerWaalsContact C-N 3.34Å; V252-N254 PolarHBondContact O-N 2.84Å; V252-E255 PolarHBondContact O-N 2.89Å; V252-R256 HydrophobicContact CG1-CG 4.11Å; V252-R256 WeakPolarHBondContact O-CB 3.37Å; V252-R256 VanDerWaalsContact O-CG 3.26Å; V252-R256 WeakPolarHBondContact O-CG 3.12Å; V252-R256 PolarHBondContact O-N 3.2Å
253I96.3Very high95.3Very high1 Ų167.9 Ų67.91%0.00533%0.328CS..Hα-helixtrans-59.1-48177-68.9164.6000110.4I202 V206 I226 I227 R230 I249 I250 N251 E255 R256 Q257I202-I253 HydrophobicContact CG2-CB 4.3Å; I202-I253 HydrophobicContact CG2-CG1 4.19Å; I202-I253 HydrophobicContact CG2-CG2 3.94Å; V206-I253 HydrophobicContact CG2-CD1 4.01Å; V206-I253 HydrophobicContact CG2-CG1 3.54Å; I226-I253 HydrophobicContact CG2-CD1 4.32Å; I227-I253 HydrophobicContact CG1-CD1 4.27Å; I227-I253 HydrophobicContact CG1-CG1 4.28Å; R230-I253 HydrophobicContact CB-CD1 3.99Å; I249-I253 HydrophobicContact CG2-CD1 3.89Å; I249-I253 HydrophobicContact CG2-CG1 4.49Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.46Å; I249-I253 PolarHBondContact O-N 3Å; I250-I253 PolarHBondContact O-N 3.02Å; N251-I253 PolarHBondContact O-N 2.68Å; I253-E255 PolarHBondContact O-N 3.33Å; I253-R256 PolarHBondContact O-N 3.4Å; I253-Q257 WeakPolarHBondContact O-CB 3.43Å; I253-Q257 PolarHBondContact O-N 3.32Å
254N96.5Very high95.7Very high69 Ų6965 Ų6537%0.36930%0.304SS..Hα-helixtrans-63.2-40.5179.6-71.3-29.4000112.4I250 N251 V252 K258I250-N254 VanDerWaalsContact O-CG 3.3Å; I250-N254 PolarHBondContact O-N 3.1Å; I250-N254 PolarHBondContact O-ND2 3.04Å; N251-N254 PolarHBondContact O-N 2.62Å; V252-N254 VanDerWaalsContact C-N 3.34Å; V252-N254 PolarHBondContact O-N 2.84Å; N254-K258 WeakPolarHBondContact O-CG 3.46Å; N254-K258 PolarHBondContact O-N 3.5Å
255E97.7Very high96Very high123 Ų12359.5 Ų59.558%0.57528%0.28SS*.Hα-helixtrans-64.3-50176.3-172.5-168.4146.200111.5N251 V252 I253 Q257 K258 L259N251-E255 WeakPolarHBondContact O-CB 3.46Å; N251-E255 PolarHBondContact O-N 3.41Å; V252-E255 PolarHBondContact O-N 2.89Å; I253-E255 PolarHBondContact O-N 3.33Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 3.18Å; E255-K258 PolarHBondContact O-N 3.33Å; E255-L259 PolarHBondContact O-N 3.2Å
256R97.5Very high96.4Very high65 Ų6560.9 Ų60.925%0.24529%0.288CS..Hα-helixtrans-65.8-34.1179.3-63.4-61.8-172.6-178.36.4111.7I202 E208 V252 I253 L259 L260I202-R256 HydrophobicContact CB-CB 4.24Å; I202-R256 HydrophobicContact CG1-CB 3.99Å; I202-R256 HydrophobicContact CG2-CB 4.34Å; E208-R256 IonicContact OE2-NH2 3.63Å; E208-R256 PolarHBondContact OE2-NH2 3.14Å; V252-R256 HydrophobicContact CG1-CG 4.11Å; V252-R256 WeakPolarHBondContact O-CB 3.37Å; V252-R256 VanDerWaalsContact O-CG 3.26Å; V252-R256 WeakPolarHBondContact O-CG 3.12Å; V252-R256 PolarHBondContact O-N 3.2Å; I253-R256 PolarHBondContact O-N 3.4Å; R256-L259 PolarHBondContact O-N 3.41Å; R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 PolarHBondContact O-N 3.02Å
257Q97.3Very high96.7Very high44 Ų4457.8 Ų57.821%0.20628%0.277CS..Hα-helixtrans-62.8-45.7172.4177.6172.3-28.400111.6I202 I253 E255 L259 L260 I261 I286I202-Q257 HydrophobicContact CD1-CB 4.1Å; I253-Q257 WeakPolarHBondContact O-CB 3.43Å; I253-Q257 PolarHBondContact O-N 3.32Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 3.18Å; Q257-L259 VanDerWaalsContact C-N 3.31Å; Q257-L259 PolarHBondContact O-N 2.98Å; Q257-L260 WeakPolarHBondContact O-CB 3.17Å; Q257-L260 PolarHBondContact O-N 3.31Å; Q257-I261 HydrophobicContact CG-CD1 3.92Å; Q257-I261 WeakPolarHBondContact O-CG1 3.36Å; Q257-I261 PolarHBondContact O-N 2.83Å; Q257-I286 HydrophobicContact CG-CG2 3.66Å
258K97.8Very high96.9Very high155 Ų15551.9 Ų51.967%0.67425%0.25SC*.Hα-helixtrans-60.6-41.6174.9-72.8172.5-175.81770111.7N254 E255 K262N254-K258 WeakPolarHBondContact O-CG 3.46Å; N254-K258 PolarHBondContact O-N 3.5Å; E255-K258 PolarHBondContact O-N 3.33Å; K258-K262 WeakPolarHBondContact O-CB 3.34Å; K258-K262 PolarHBondContact O-N 3.42Å
259L98Very high97.1Very high56 Ų5653.7 Ų53.729%0.29326%0.262SS..Hα-helixtrans-63.9-42.5176-178.361.5000111.7L201 E255 R256 Q257 K262 R263L201-L259 HydrophobicContact CD1-CD2 4.3Å; L201-L259 HydrophobicContact CD2-CB 4.27Å; L201-L259 HydrophobicContact CD2-CD2 3.97Å; L201-L259 HydrophobicContact CD2-CG 3.91Å; L201-L259 HydrophobicContact CG-CD2 4.49Å; E255-L259 PolarHBondContact O-N 3.2Å; R256-L259 PolarHBondContact O-N 3.41Å; Q257-L259 VanDerWaalsContact C-N 3.31Å; Q257-L259 PolarHBondContact O-N 2.98Å; L259-K262 PolarHBondContact O-N 3.05Å; L259-R263 WeakPolarHBondContact O-CG 3.5Å; L259-R263 PolarHBondContact O-N 3.21Å
260L98.1Very high97.3Very high0 Ų059.3 Ų59.30%028%0.283CS..Hα-helixtrans-60-52.8176.2-179.657.1000110.9L171 I197 L201 I202 R256 Q257 K262 R263 V264 I286L171-L260 HydrophobicContact CD1-CD1 4.29Å; L171-L260 HydrophobicContact CD2-CD1 4.49Å; L171-L260 HydrophobicContact CD2-CD2 4.14Å; L171-L260 HydrophobicContact CD2-CG 4.39Å; I197-L260 HydrophobicContact CG2-CD1 3.76Å; L201-L260 HydrophobicContact CD2-CB 4.1Å; L201-L260 HydrophobicContact CD2-CD1 4.5Å; I202-L260 HydrophobicContact CD1-CD2 3.87Å; I202-L260 HydrophobicContact CG1-CD2 4.23Å; R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 PolarHBondContact O-N 3.02Å; Q257-L260 WeakPolarHBondContact O-CB 3.17Å; Q257-L260 PolarHBondContact O-N 3.31Å; L260-K262 VanDerWaalsContact C-N 3.29Å; L260-K262 PolarHBondContact O-N 3.04Å; L260-R263 PolarHBondContact O-N 3.28Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L260-V264 HydrophobicContact CD1-CG2 4.25Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 2.81Å; L260-I286 HydrophobicContact CD2-CG2 4.28Å
261I98.4Very high97.4Very high36 Ų3657 Ų5719%0.18527%0.271CS..Hα-helixtrans-54.6-45.9177.6-72.2166.5000111Q257 R263 V264 N265 V287 A290Q257-I261 HydrophobicContact CG-CD1 3.92Å; Q257-I261 WeakPolarHBondContact O-CG1 3.36Å; Q257-I261 PolarHBondContact O-N 2.83Å; I261-R263 PolarHBondContact O-N 2.83Å; I261-V264 PolarHBondContact O-N 2.89Å; I261-N265 WeakPolarHBondContact O-CB 3.47Å; I261-N265 PolarHBondContact O-N 3Å; I261-V287 HydrophobicContact CG1-CG1 4.17Å; I261-A290 HydrophobicContact CG2-CB 3.37Å
262K98.3Very high97.4Very high131 Ų13157 Ų5757%0.5727%0.274SS*.Hα-helixtrans-58.3-48.8177.2-178.2-179.3175.7-177.90111.6K258 L259 L260 V264 N265 D266K258-K262 WeakPolarHBondContact O-CB 3.34Å; K258-K262 PolarHBondContact O-N 3.42Å; L259-K262 PolarHBondContact O-N 3.05Å; L260-K262 VanDerWaalsContact C-N 3.29Å; L260-K262 PolarHBondContact O-N 3.04Å; K262-V264 PolarHBondContact O-N 3.36Å; K262-N265 PolarHBondContact O-N 3.3Å; K262-D266 VanDerWaalsContact O-CG 3.24Å; K262-D266 PolarHBondContact O-N 3.02Å
263R98.2Very high97.4Very high88 Ų8862.7 Ų62.733%0.33230%0.304SS..Hα-helixtrans-63.2-40.7-179.9-71.7-177.2-179.1-167.40.5112.4N196 I197 L259 L260 I261 D266 V267N196-R263 PolarHBondContact O-NH1 3.27Å; I197-R263 HydrophobicContact CD1-CB 3.86Å; I197-R263 HydrophobicContact CG1-CB 4.08Å; I197-R263 HydrophobicContact CG2-CB 4.26Å; L259-R263 WeakPolarHBondContact O-CG 3.5Å; L259-R263 PolarHBondContact O-N 3.21Å; L260-R263 PolarHBondContact O-N 3.28Å; L260-R263 VanDerWaalsContact O-N 3.1Å; I261-R263 PolarHBondContact O-N 2.83Å; R263-D266 PolarHBondContact O-N 3.42Å; R263-V267 PolarHBondContact O-N 3.23Å
264V98.3Very high97.4Very high0 Ų064.8 Ų64.80%031%0.312CS..Hα-helixtrans-61.4-46.6174.3173.70000110.5V169 L171 L176 I197 L260 I261 K262 D266 V267 I268 V287 V291V169-V264 HydrophobicContact CG1-CG1 4.21Å; L171-V264 HydrophobicContact CD1-CG2 4.4Å; L171-V264 HydrophobicContact CD2-CG2 4.36Å; L176-V264 HydrophobicContact CD1-CG1 4.4Å; L176-V264 HydrophobicContact CD1-CG2 4.32Å; L176-V264 HydrophobicContact CD2-CB 4.47Å; L176-V264 HydrophobicContact CD2-CG1 4.47Å; L176-V264 HydrophobicContact CD2-CG2 4.13Å; I197-V264 HydrophobicContact CG2-CG2 3.89Å; L260-V264 HydrophobicContact CD1-CG2 4.25Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 2.81Å; I261-V264 PolarHBondContact O-N 2.89Å; K262-V264 PolarHBondContact O-N 3.36Å; V264-D266 VanDerWaalsContact C-N 3.35Å; V264-D266 PolarHBondContact O-N 3.47Å; V264-V267 PolarHBondContact O-N 3.35Å; V264-V267 VanDerWaalsContact O-N 3.14Å; V264-I268 HydrophobicContact CG1-CD1 3.53Å; V264-I268 HydrophobicContact CG1-CG1 4.28Å; V264-I268 WeakPolarHBondContact O-CG1 3.26Å; V264-I268 PolarHBondContact O-N 3.16Å; V264-V287 HydrophobicContact CB-CG1 4.39Å; V264-V287 HydrophobicContact CG1-CB 4.4Å; V264-V287 HydrophobicContact CG1-CG1 4.47Å; V264-V287 HydrophobicContact CG2-CG1 4.03Å; V264-V291 HydrophobicContact CG1-CG2 4.11Å
265N98.2Very high97.5Very high36 Ų3663.1 Ų63.119%0.19330%0.304CS..Hα-helixtrans-61.3-40.9177.3-76.5-2.7000112.7I261 K262 V267 I268 S269 L294I261-N265 WeakPolarHBondContact O-CB 3.47Å; I261-N265 PolarHBondContact O-N 3Å; K262-N265 PolarHBondContact O-N 3.3Å; N265-V267 PolarHBondContact O-N 3.18Å; N265-I268 PolarHBondContact O-N 3.04Å; N265-S269 WeakPolarHBondContact O-CB 3.35Å; N265-S269 PolarHBondContact O-N 3.47Å; N265-S269 PolarHBondContact O-OG 3.06Å; N265-L294 HydrophobicContact CB-CD2 3.79Å
266D98Very high97.6Very high79 Ų7957.7 Ų57.742%0.42228%0.279SS..Hα-helixtrans-61.6-31.5176.6-69.5-20.5000112.1K262 R263 V264 S269 R270K262-D266 VanDerWaalsContact O-CG 3.24Å; K262-D266 PolarHBondContact O-N 3.02Å; R263-D266 PolarHBondContact O-N 3.42Å; V264-D266 VanDerWaalsContact C-N 3.35Å; V264-D266 PolarHBondContact O-N 3.47Å; D266-S269 PolarHBondContact O-OG 3.22Å; D266-R270 PolarHBondContact O-NE 3.41Å
267V97.3Very high97.6Very high3 Ų354.6 Ų54.62%0.01827%0.267CS..Hα-helixtrans-76.6-48.3173.7173.40000111.1L176 V178 W192 I197 R263 V264 N265 S269 R270 F271L176-V267 HydrophobicContact CD2-CB 3.93Å; L176-V267 HydrophobicContact CD2-CG1 4.02Å; L176-V267 HydrophobicContact CD2-CG2 4.01Å; V178-V267 HydrophobicContact CG2-CG1 3.9Å; W192-V267 VanDerWaalsContact CD1-CG1 3.45Å; W192-V267 HydrophobicContact CG-CG1 4.04Å; I197-V267 HydrophobicContact CD1-CG2 3.7Å; R263-V267 PolarHBondContact O-N 3.23Å; V264-V267 PolarHBondContact O-N 3.35Å; V264-V267 VanDerWaalsContact O-N 3.14Å; N265-V267 PolarHBondContact O-N 3.18Å; V267-S269 VanDerWaalsContact C-N 3.27Å; V267-S269 PolarHBondContact O-N 3.38Å; V267-R270 VanDerWaalsContact O-CB 3.3Å; V267-R270 WeakPolarHBondContact O-CB 3.22Å; V267-R270 WeakPolarHBondContact O-CG 3.31Å; V267-R270 PolarHBondContact O-N 3.26Å; V267-F271 HydrophobicContact CG1-CE2 4.29Å
268I97.8Very high97.7Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-62-35.5-177.2-67.8169.6000111.6L167 V169 V264 N265 R270 F271 V291 L294 T295L167-I268 HydrophobicContact CD2-CG2 4.08Å; V169-I268 HydrophobicContact CG1-CD1 3.9Å; V169-I268 HydrophobicContact CG1-CG1 4.5Å; V169-I268 HydrophobicContact CG2-CD1 3.83Å; V169-I268 HydrophobicContact CG2-CG1 4.14Å; V264-I268 HydrophobicContact CG1-CD1 3.53Å; V264-I268 HydrophobicContact CG1-CG1 4.28Å; V264-I268 WeakPolarHBondContact O-CG1 3.26Å; V264-I268 PolarHBondContact O-N 3.16Å; N265-I268 PolarHBondContact O-N 3.04Å; I268-R270 PolarHBondContact O-N 3.13Å; I268-F271 WeakPolarHBondContact O-CB 3.43Å; I268-F271 PolarHBondContact O-N 3.43Å; I268-V291 HydrophobicContact CD1-CB 4.17Å; I268-V291 HydrophobicContact CD1-CG1 3.79Å; I268-V291 HydrophobicContact CD1-CG2 3.41Å; I268-V291 VanDerWaalsContact CD1-CG2 3.41Å; I268-L294 HydrophobicContact CB-CD2 3.85Å; I268-L294 HydrophobicContact CG2-CD2 3.72Å; I268-T295 HydrophobicContact CG2-CG2 3.87Å
269S97Very high97.7Very high75 Ų7545.7 Ų45.752%0.52423%0.228SC..THydrogen-bonded Turntrans-59.5-14.3176.3690000114.6N265 D266 V267 F271N265-S269 WeakPolarHBondContact O-CB 3.35Å; N265-S269 PolarHBondContact O-N 3.47Å; N265-S269 PolarHBondContact O-OG 3.06Å; D266-S269 PolarHBondContact O-OG 3.22Å; V267-S269 VanDerWaalsContact C-N 3.27Å; V267-S269 PolarHBondContact O-N 3.38Å; S269-F271 VanDerWaalsContact C-N 3.34Å
270R95.7Very high97.7Very high122 Ų12243.1 Ų43.146%0.4622%0.215SC..THydrogen-bonded Turntrans-87.1-4.3176.3-52.1176-172.5-173.8-0.7113.4K190 D266 V267 I268K190-R270 PolarHBondContact NZ-O 3.14Å; D266-R270 PolarHBondContact O-NE 3.41Å; V267-R270 VanDerWaalsContact O-CB 3.3Å; V267-R270 WeakPolarHBondContact O-CB 3.22Å; V267-R270 WeakPolarHBondContact O-CG 3.31Å; V267-R270 PolarHBondContact O-N 3.26Å; I268-R270 PolarHBondContact O-N 3.13Å
271F97.4Very high97.6Very high6 Ų643.6 Ų43.63%0.02622%0.22CC..  trans-102.6141.9175.2-69.5-99000109L167 V178 H180 K190 W192 V267 I268 S269 Y274L167-F271 HydrophobicContact CD1-CB 3.86Å; L167-F271 HydrophobicContact CD1-CD1 3.5Å; L167-F271 VanDerWaalsContact CD1-CD1 3.5Å; L167-F271 HydrophobicContact CD1-CD2 4.43Å; L167-F271 HydrophobicContact CD1-CE1 4.08Å; L167-F271 HydrophobicContact CD1-CG 3.68Å; L167-F271 HydrophobicContact CD2-CB 4.36Å; V178-F271 HydrophobicContact CB-CE2 3.75Å; V178-F271 HydrophobicContact CB-CZ 3.72Å; V178-F271 HydrophobicContact CG1-CD1 4.37Å; V178-F271 HydrophobicContact CG1-CD2 3.89Å; V178-F271 HydrophobicContact CG1-CE1 3.99Å; V178-F271 HydrophobicContact CG1-CE2 3.49Å; V178-F271 VanDerWaalsContact CG1-CE2 3.49Å; V178-F271 HydrophobicContact CG1-CG 4.31Å; V178-F271 HydrophobicContact CG1-CZ 3.53Å; H180-F271 HydrophobicContact CB-CD1 3.97Å; H180-F271 HydrophobicContact CB-CE1 4.19Å; K190-F271 HydrophobicContact CB-CD1 4.33Å; K190-F271 HydrophobicContact CB-CE1 3.92Å; K190-F271 HydrophobicContact CD-CD1 4.04Å; K190-F271 HydrophobicContact CD-CE1 3.89Å; K190-F271 HydrophobicContact CD-CZ 4.46Å; K190-F271 HydrophobicContact CG-CD1 4.32Å; K190-F271 HydrophobicContact CG-CE1 3.75Å; K190-F271 HydrophobicContact CG-CZ 4.34Å; W192-F271 HydrophobicContact CB-CE2 3.86Å; W192-F271 HydrophobicContact CB-CZ 3.59Å; V267-F271 HydrophobicContact CG1-CE2 4.29Å; I268-F271 WeakPolarHBondContact O-CB 3.43Å; I268-F271 PolarHBondContact O-N 3.43Å; S269-F271 VanDerWaalsContact C-N 3.34Å; F271-Y274 HydrophobicContact CB-CD1 4.1Å; F271-Y274 HydrophobicContact CB-CE1 3.85Å; F271-Y274 WeakPolarHBondContact O-CE1 3.37Å
272T95.7Very high97.3Very high87 Ų8744.3 Ų44.353%0.53424%0.236SC..  trans-137.9169.9178.257.40000108.8H180 Y274H180-T272 PolarHBondContact CE1-O 3.41Å; H180-T272 VanDerWaalsContact CE1-O 3.31Å; T272-Y274 PolarHBondContact O-N 3.01Å; T272-Y274 VanDerWaalsContact O-N 3.08Å
273D95.3Very high97.1Very high140 Ų14038.1 Ų38.175%0.74921%0.209SC*.SBendtrans62.919168.3-44.5-57000115.6S165S165-D273 PolarHBondContact OG-O 3.05Å
274Y97.8Very high97.1Very high45 Ų4534 Ų3418%0.17619%0.194CC..  trans-85.5145.4166.751.2-95000110.7S165 L167 F271 T272 V277 T295 V297S165-Y274 WeakPolarHBondContact OG-CA 3.33Å; L167-Y274 HydrophobicContact CB-CD1 4.12Å; L167-Y274 HydrophobicContact CB-CD2 4.16Å; L167-Y274 HydrophobicContact CB-CG 3.79Å; L167-Y274 HydrophobicContact CD1-CD1 4.25Å; L167-Y274 HydrophobicContact CD2-CD1 3.9Å; L167-Y274 HydrophobicContact CD2-CD2 4.43Å; L167-Y274 HydrophobicContact CD2-CE1 3.76Å; L167-Y274 HydrophobicContact CD2-CE2 4.32Å; L167-Y274 HydrophobicContact CD2-CG 4.24Å; L167-Y274 HydrophobicContact CG-CD1 4.32Å; L167-Y274 HydrophobicContact CG-CG 4.47Å; F271-Y274 HydrophobicContact CB-CD1 4.1Å; F271-Y274 HydrophobicContact CB-CE1 3.85Å; F271-Y274 WeakPolarHBondContact O-CE1 3.37Å; T272-Y274 PolarHBondContact O-N 3.01Å; T272-Y274 VanDerWaalsContact O-N 3.08Å; Y274-V277 HydrophobicContact CD2-CG2 3.69Å; Y274-V277 HydrophobicContact CE2-CG2 3.65Å; Y274-T295 HydrophobicContact CE2-CG2 4.02Å; Y274-T295 WeakPolarHBondContact OH-CG2 3.44Å; Y274-V297 HydrophobicContact CD2-CG1 4.49Å; Y274-V297 HydrophobicContact CE2-CG1 4.31Å
275T98Very high96.9Very high34 Ų3440.6 Ų40.621%0.20923%0.225CC..SBendtrans-97.7-27.7179.257.10000113.1E164 S165 R301E164-T275 HydrophobicContact CB-CG2 4.49Å; E164-T275 HydrophobicContact CG-CG2 4.44Å; S165-T275 PolarHBondContact N-OG1 2.91Å; S165-T275 PolarHBondContact O-N 3.15Å; S165-T275 VanDerWaalsContact O-N 3.16Å; S165-T275 PolarHBondContact O-OG1 3.37Å; T275-R301 WeakPolarHBondContact O-CD 3.41Å
276H98.7Very high96.8Very high10 Ų1040.4 Ų40.45%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-133.6155.2-175.1-6680.2000109.8L160 E164 S165 L166 L167 R301 Y303L160-H276 VanDerWaalsContact CD2-CE1 3.47Å; L160-H276 WeakPolarHBondContact CD2-CE1 3.26Å; E164-H276 IonicContact OE1-CE1 3.72Å; E164-H276 PolarHBondContact OE1-CE1 2.76Å; E164-H276 IonicContact OE2-CE1 2.9Å; S165-H276 PolarHBondContact O-N 3.47Å; L166-H276 HydrophobicContact CD1-CB 3.56Å; L167-H276 PolarHBondContact N-O 3.33Å; H276-R301 WeakPolarHBondContact CA-O 3.38Å; H276-R301 VanDerWaalsContact CD2-CB 3.48Å; H276-R301 WeakPolarHBondContact CD2-CB 3.33Å; H276-Y303 HydrophobicContact CB-CE2 4.05Å; H276-Y303 AromaticContact CD2-CE2 3.68Å; H276-Y303 PolarHBondContact CD2-OH 2.97Å
277V98.8Very high96.8Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-133.2137.9178.7-179.60000109.5L167 V169 Y274 V291 T295 V297 R301 F302 Y303L167-V277 HydrophobicContact CB-CG2 4.29Å; L167-V277 CarbonylContact O-C 3.59Å; L167-V277 WeakPolarHBondContact O-CA 3.19Å; V169-V277 HydrophobicContact CG2-CG1 4.46Å; Y274-V277 HydrophobicContact CD2-CG2 3.69Å; Y274-V277 HydrophobicContact CE2-CG2 3.65Å; V277-V291 HydrophobicContact CG1-CG1 3.77Å; V277-T295 HydrophobicContact CG1-CG2 4.44Å; V277-T295 HydrophobicContact CG2-CG2 3.91Å; V277-V297 HydrophobicContact CB-CG2 4.09Å; V277-V297 HydrophobicContact CG2-CG1 3.83Å; V277-V297 HydrophobicContact CG2-CG2 3.92Å; V277-R301 PolarHBondContact N-O 3.42Å; V277-F302 HydrophobicContact CB-CD2 3.98Å; V277-F302 HydrophobicContact CB-CE2 4.3Å; V277-F302 HydrophobicContact CG1-CD2 4.07Å; V277-F302 HydrophobicContact CG1-CE2 3.86Å; V277-F302 CarbonylContact O-C 2.95Å; V277-F302 WeakPolarHBondContact O-CA 3.42Å; V277-Y303 WeakPolarHBondContact O-CD2 3.39Å; V277-Y303 PolarHBondContact O-N 2.96Å
278M98.7Very high96.8Very high12 Ų1236.8 Ų36.86%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-130.6130.8174.6-177-178.7-172.600110.1V156 L166 L167 I168 V169 V280 Y303 D311V156-M278 HydrophobicContact CG2-SD 4.36Å; L166-M278 HydrophobicContact CD1-CB 3.94Å; L166-M278 HydrophobicContact CD2-CB 4.23Å; L166-M278 HydrophobicContact CD2-SD 4.36Å; L166-M278 HydrophobicContact CG-CB 4.33Å; L167-M278 PolarHBondContact O-N 3.1Å; I168-M278 CarbonylContact C-O 3.12Å; I168-M278 WeakPolarHBondContact CA-O 3.1Å; V169-M278 PolarHBondContact N-O 3.21Å; M278-V280 HydrophobicContact CE-CG1 3.52Å; M278-V280 HydrophobicContact CG-CG1 3.63Å; M278-V280 HydrophobicContact SD-CG1 3.76Å; M278-Y303 CarbonylContact C-O 3.59Å; M278-Y303 VanDerWaalsContact CA-O 3.3Å; M278-Y303 WeakPolarHBondContact CA-O 3.36Å; M278-D311 HydrophobicContact CE-CB 4.2Å; M278-D311 WeakPolarHBondContact CE-OD2 3.45Å
279C98.7Very high96.8Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-100.9127.2171.2-71.50000109.9V169 A284 A288 F302 Y303 L304V169-C279 WeakPolarHBondContact O-CA 3.37Å; C279-A284 HydrophobicContact CB-CB 4.12Å; C279-A288 HydrophobicContact CB-CB 4.26Å; C279-F302 HydrophobicContact CB-CZ 4.48Å; C279-Y303 PolarHBondContact N-O 3.41Å; C279-L304 HydrophobicContact CB-CD1 4.19Å
280V97.8Very high96.9Very high2 Ų241.4 Ų41.41%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-133.6167.4-177-520000111.2A152 I168 V169 D170 L171 M278 D311A152-V280 HydrophobicContact CB-CB 4.26Å; A152-V280 HydrophobicContact CB-CG1 3.93Å; A152-V280 HydrophobicContact CB-CG2 4.18Å; I168-V280 HydrophobicContact CG2-CG1 4.22Å; I168-V280 HydrophobicContact CG2-CG2 3.76Å; V169-V280 PolarHBondContact O-N 2.97Å; D170-V280 VanDerWaalsContact CA-CG2 3.44Å; D170-V280 WeakPolarHBondContact CA-O 3.23Å; D170-V280 HydrophobicContact CB-CG2 3.37Å; D170-V280 VanDerWaalsContact CG-CG2 3.49Å; L171-V280 PolarHBondContact N-O 3.29Å; M278-V280 HydrophobicContact CE-CG1 3.52Å; M278-V280 HydrophobicContact CG-CG1 3.63Å; M278-V280 HydrophobicContact SD-CG1 3.76Å; V280-D311 HydrophobicContact CB-CB 4.28Å; V280-D311 HydrophobicContact CG1-CB 4.09Å
281G95.1Very high97Very high10 Ų1035.6 Ų35.610%0.10320%0.2CC..SBendtrans90.4171.1179.700000113.7L171 G283 A284 P308L171-G281 CarbonylContact O-C 3.47Å; G281-G283 PolarHBondContact O-N 3.46Å; G281-A284 VanDerWaalsContact O-CB 3.27Å; G281-A284 WeakPolarHBondContact O-CB 3.37Å; G281-A284 PolarHBondContact O-N 3.3Å; G281-A284 VanDerWaalsContact O-N 3.11Å; G281-P308 PolarHBondContact N-O 3.15Å
282G92.4Very high97.1Very high51 Ų5138.1 Ų38.153%0.52621%0.211SC..THydrogen-bonded Turntrans-66.4-19.3-175.400000114.5L171L171-G282 PolarHBondContact O-N 3.45Å
283G94.3Very high97.2Very high0 Ų039 Ų390%021%0.212CC..THydrogen-bonded Turntrans-93.9-0.6174.500000114.5L171 G281 E285 I286L171-G283 WeakPolarHBondContact O-CA 3.49Å; L171-G283 PolarHBondContact O-N 3.41Å; G281-G283 PolarHBondContact O-N 3.46Å; G283-E285 VanDerWaalsContact C-N 3.35Å; G283-E285 PolarHBondContact O-N 3.27Å; G283-I286 WeakPolarHBondContact O-CB 3.25Å; G283-I286 PolarHBondContact O-N 3.46Å
284A97.4Very high97.3Very high1 Ų135.5 Ų35.51%0.00819%0.193CC..Hα-helixtrans-54.6-46.9-172.100000113.1C279 G281 I286 V287 A288 L304 P308C279-A284 HydrophobicContact CB-CB 4.12Å; G281-A284 VanDerWaalsContact O-CB 3.27Å; G281-A284 WeakPolarHBondContact O-CB 3.37Å; G281-A284 PolarHBondContact O-N 3.3Å; G281-A284 VanDerWaalsContact O-N 3.11Å; A284-I286 PolarHBondContact O-N 3.48Å; A284-V287 PolarHBondContact O-N 2.91Å; A284-V287 VanDerWaalsContact O-N 3.11Å; A284-A288 VanDerWaalsContact O-CB 3.3Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 2.95Å; A284-L304 HydrophobicContact CB-CD1 3.8Å; A284-P308 HydrophobicContact CB-CB 3.57Å; A284-P308 HydrophobicContact CB-CG 3.71Å
285E95.8Very high97.3Very high140 Ų14034.1 Ų34.165%0.65419%0.19SC*.Hα-helixtrans-61.9-27.3-179.3-65.1-176.7171.400113.2G283 V287 P308G283-E285 VanDerWaalsContact C-N 3.35Å; G283-E285 PolarHBondContact O-N 3.27Å; E285-V287 VanDerWaalsContact C-N 3.3Å; E285-V287 PolarHBondContact O-N 2.95Å; E285-P308 HydrophobicContact CG-CG 4.31Å
286I95.5Very high97.3Very high31 Ų3141.1 Ų41.116%0.15922%0.217CC..Hα-helixtrans-69.4-33.1179.5-61171.1000110.9V199 I202 Q257 L260 G283 A284V199-I286 HydrophobicContact CG1-CD1 4.36Å; V199-I286 HydrophobicContact CG2-CD1 4.12Å; I202-I286 HydrophobicContact CD1-CD1 4.22Å; Q257-I286 HydrophobicContact CG-CG2 3.66Å; L260-I286 HydrophobicContact CD2-CG2 4.28Å; G283-I286 WeakPolarHBondContact O-CB 3.25Å; G283-I286 PolarHBondContact O-N 3.46Å; A284-I286 PolarHBondContact O-N 3.48Å
287V97.4Very high97.2Very high1 Ų141.4 Ų41.41%0.00622%0.219CC..Hα-helixtrans-112-19.4-170.4-61.20000113.8L171 I261 V264 A284 E285 E289 A290 V291L171-V287 HydrophobicContact CD2-CB 4.37Å; L171-V287 HydrophobicContact CD2-CG1 3.52Å; L171-V287 HydrophobicContact CD2-CG2 3.9Å; I261-V287 HydrophobicContact CG1-CG1 4.17Å; V264-V287 HydrophobicContact CB-CG1 4.39Å; V264-V287 HydrophobicContact CG1-CB 4.4Å; V264-V287 HydrophobicContact CG1-CG1 4.47Å; V264-V287 HydrophobicContact CG2-CG1 4.03Å; A284-V287 PolarHBondContact O-N 2.91Å; A284-V287 VanDerWaalsContact O-N 3.11Å; E285-V287 VanDerWaalsContact C-N 3.3Å; E285-V287 PolarHBondContact O-N 2.95Å; V287-E289 VanDerWaalsContact C-N 3.34Å; V287-E289 PolarHBondContact O-N 2.91Å; V287-A290 PolarHBondContact O-N 3.23Å; V287-V291 HydrophobicContact CB-CG2 4.16Å; V287-V291 HydrophobicContact CG2-CG2 4.22Å; V287-V291 WeakPolarHBondContact O-CG2 3.35Å; V287-V291 PolarHBondContact O-N 2.75Å
288A98.2Very high97.1Very high5 Ų544.2 Ų44.24%0.04124%0.238CC..Hα-helixtrans-52.4-46.5-17000000113.7C279 A284 A290 V291 K292 F302 L304C279-A288 HydrophobicContact CB-CB 4.26Å; A284-A288 VanDerWaalsContact O-CB 3.3Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 2.95Å; A288-A290 PolarHBondContact O-N 2.95Å; A288-V291 PolarHBondContact O-N 2.9Å; A288-K292 WeakPolarHBondContact O-CB 3.29Å; A288-K292 PolarHBondContact O-N 3.33Å; A288-F302 HydrophobicContact CB-CE1 4.22Å; A288-F302 HydrophobicContact CB-CZ 4.08Å; A288-F302 VanDerWaalsContact O-CZ 3.26Å; A288-F302 WeakPolarHBondContact O-CZ 3.4Å; A288-L304 HydrophobicContact CB-CD1 4.19Å; A288-L304 HydrophobicContact CB-CD2 3.76Å; A288-L304 HydrophobicContact CB-CG 4.47Å
289E98Very high97.1Very high150 Ų15048.9 Ų48.970%0.70126%0.263SS*.Hα-helixtrans-61.7-44.9178-174-175.917800111.9V287 K292 N293V287-E289 VanDerWaalsContact C-N 3.34Å; V287-E289 PolarHBondContact O-N 2.91Å; E289-K292 PolarHBondContact O-N 3.12Å; E289-N293 WeakPolarHBondContact O-CB 3.36Å; E289-N293 VanDerWaalsContact O-CG 3.24Å; E289-N293 PolarHBondContact O-N 3Å; E289-N293 PolarHBondContact O-ND2 2.94Å
290A98.3Very high97Very high22 Ų2255.5 Ų55.518%0.18229%0.294CS..Hα-helixtrans-66.9-38.817900000112.1I261 V287 A288 N293 L294I261-A290 HydrophobicContact CG2-CB 3.37Å; V287-A290 PolarHBondContact O-N 3.23Å; A288-A290 PolarHBondContact O-N 2.95Å; A290-N293 PolarHBondContact O-N 3.28Å; A290-L294 WeakPolarHBondContact O-CB 3.35Å; A290-L294 PolarHBondContact O-N 3.43Å
291V98.5Very high97Very high0 Ų059.5 Ų59.50%031%0.309CS..Hα-helixtrans-64.3-46174.7175.80000110.5V169 V264 I268 V277 V287 A288 N293 L294 T295 F302V169-V291 HydrophobicContact CG2-CG1 4.31Å; V264-V291 HydrophobicContact CG1-CG2 4.11Å; I268-V291 HydrophobicContact CD1-CB 4.17Å; I268-V291 HydrophobicContact CD1-CG1 3.79Å; I268-V291 HydrophobicContact CD1-CG2 3.41Å; I268-V291 VanDerWaalsContact CD1-CG2 3.41Å; V277-V291 HydrophobicContact CG1-CG1 3.77Å; V287-V291 HydrophobicContact CB-CG2 4.16Å; V287-V291 HydrophobicContact CG2-CG2 4.22Å; V287-V291 WeakPolarHBondContact O-CG2 3.35Å; V287-V291 PolarHBondContact O-N 2.75Å; A288-V291 PolarHBondContact O-N 2.9Å; V291-N293 VanDerWaalsContact C-N 3.34Å; V291-N293 PolarHBondContact O-N 3.25Å; V291-L294 PolarHBondContact O-N 3.17Å; V291-T295 HydrophobicContact CG1-CG2 4.02Å; V291-T295 WeakPolarHBondContact O-CB 3.5Å; V291-T295 WeakPolarHBondContact O-CG2 3.31Å; V291-T295 PolarHBondContact O-N 3.23Å; V291-T295 PolarHBondContact O-OG1 2.81Å; V291-F302 HydrophobicContact CB-CE2 4.39Å; V291-F302 HydrophobicContact CG1-CE2 4.06Å
292K98.4Very high97.2Very high59 Ų5960.2 Ų60.226%0.25731%0.309SS..Hα-helixtrans-58.1-46.9176.3-171.4177.1178.2-175.60111.3A288 E289 L294 T295 K296 D299 F302A288-K292 WeakPolarHBondContact O-CB 3.29Å; A288-K292 PolarHBondContact O-N 3.33Å; E289-K292 PolarHBondContact O-N 3.12Å; K292-L294 PolarHBondContact O-N 3.25Å; K292-T295 PolarHBondContact O-N 3.07Å; K292-T295 PolarHBondContact O-OG1 3.37Å; K292-K296 PolarHBondContact O-N 3.12Å; K292-D299 WeakPolarHBondContact CE-OD1 3.37Å; K292-D299 IonicContact NZ-OD1 2.68Å; K292-D299 PolarHBondContact NZ-OD1 2.96Å; K292-D299 IonicContact NZ-OD2 3.2Å; K292-D299 PolarHBondContact NZ-OD2 3.09Å; K292-D299 VanDerWaalsContact NZ-OD2 3.11Å; K292-F302 HydrophobicContact CB-CD1 4.39Å; K292-F302 HydrophobicContact CB-CD2 3.81Å; K292-F302 HydrophobicContact CB-CE1 4.25Å; K292-F302 HydrophobicContact CB-CE2 3.65Å; K292-F302 HydrophobicContact CB-CG 4.18Å; K292-F302 HydrophobicContact CB-CZ 3.89Å; K292-F302 HydrophobicContact CD-CB 4.47Å; K292-F302 HydrophobicContact CD-CD1 4.04Å; K292-F302 HydrophobicContact CD-CE1 4.46Å; K292-F302 HydrophobicContact CD-CG 4.07Å; K292-F302 HydrophobicContact CG-CB 4.42Å; K292-F302 HydrophobicContact CG-CD1 4.32Å; K292-F302 HydrophobicContact CG-CD2 3.91Å; K292-F302 HydrophobicContact CG-CE2 4.28Å; K292-F302 HydrophobicContact CG-CG 3.94Å
293N98Very high97.5Very high106 Ų10661.2 Ų61.257%0.56730%0.297SS*.Hα-helixtrans-64.5-37.8178.3-72.5-25.7000113.2E289 A290 V291 K296E289-N293 WeakPolarHBondContact O-CB 3.36Å; E289-N293 VanDerWaalsContact O-CG 3.24Å; E289-N293 PolarHBondContact O-N 3Å; E289-N293 PolarHBondContact O-ND2 2.94Å; A290-N293 PolarHBondContact O-N 3.28Å; V291-N293 VanDerWaalsContact C-N 3.34Å; V291-N293 PolarHBondContact O-N 3.25Å; N293-K296 WeakPolarHBondContact O-CG 3.47Å
294L97.9Very high97.7Very high66 Ų6664.7 Ų64.735%0.34632%0.316SS..Hα-helixtrans-68.8-48.1177.7176.366.4000111.7N265 I268 A290 V291 K292N265-L294 HydrophobicContact CB-CD2 3.79Å; I268-L294 HydrophobicContact CB-CD2 3.85Å; I268-L294 HydrophobicContact CG2-CD2 3.72Å; A290-L294 WeakPolarHBondContact O-CB 3.35Å; A290-L294 PolarHBondContact O-N 3.43Å; V291-L294 PolarHBondContact O-N 3.17Å; K292-L294 PolarHBondContact O-N 3.25Å
295T97.9Very high97.7Very high17 Ų1766.5 Ų66.510%0.10433%0.328CS..Hα-helixtrans-77.1-26-173.658.10000112.5I268 Y274 V277 V291 K292 V297I268-T295 HydrophobicContact CG2-CG2 3.87Å; Y274-T295 HydrophobicContact CE2-CG2 4.02Å; Y274-T295 WeakPolarHBondContact OH-CG2 3.44Å; V277-T295 HydrophobicContact CG1-CG2 4.44Å; V277-T295 HydrophobicContact CG2-CG2 3.91Å; V291-T295 HydrophobicContact CG1-CG2 4.02Å; V291-T295 WeakPolarHBondContact O-CB 3.5Å; V291-T295 WeakPolarHBondContact O-CG2 3.31Å; V291-T295 PolarHBondContact O-N 3.23Å; V291-T295 PolarHBondContact O-OG1 2.81Å; K292-T295 PolarHBondContact O-N 3.07Å; K292-T295 PolarHBondContact O-OG1 3.37Å; T295-V297 PolarHBondContact O-N 3.01Å; T295-V297 VanDerWaalsContact O-N 3.08Å
296K96.6Very high97.6Very high180 Ų18065.3 Ų65.378%0.78334%0.335SS*.  trans55.322.8179.5-55.8178.9179.9177.70113.6K292 N293K292-K296 PolarHBondContact O-N 3.12Å; N293-K296 WeakPolarHBondContact O-CG 3.47Å
297V97.6Very high97.7Very high16 Ų1666.4 Ų66.410%0.09735%0.345CS..  trans-67.4145.3171.9-64.40000109.3Y274 V277 T295 R301 F302Y274-V297 HydrophobicContact CD2-CG1 4.49Å; Y274-V297 HydrophobicContact CE2-CG1 4.31Å; V277-V297 HydrophobicContact CB-CG2 4.09Å; V277-V297 HydrophobicContact CG2-CG1 3.83Å; V277-V297 HydrophobicContact CG2-CG2 3.92Å; T295-V297 PolarHBondContact O-N 3.01Å; T295-V297 VanDerWaalsContact O-N 3.08Å; V297-R301 HydrophobicContact CB-CB 4.3Å; V297-F302 HydrophobicContact CG2-CB 3.94Å; V297-F302 HydrophobicContact CG2-CD2 3.95Å; V297-F302 HydrophobicContact CG2-CG 4.45Å
298P97.3Very high97.6Very high59 Ų5966.8 Ų66.838%0.38335%0.348SS..  trans-57.2157.6173.9-24.934.9000112.5E300 R301 F302P298-E300 HydrophobicContact CB-CG 4.26Å; P298-E300 WeakPolarHBondContact CB-OE1 3.46Å; P298-E300 VanDerWaalsContact CB-OE2 3.22Å; P298-E300 WeakPolarHBondContact CB-OE2 3.35Å; P298-E300 PolarHBondContact O-N 3.24Å; P298-R301 CarbonylContact O-C 3.57Å; P298-R301 WeakPolarHBondContact O-CA 3.47Å; P298-R301 PolarHBondContact O-N 3.06Å; P298-F302 PolarHBondContact O-N 3.26Å
299D97.7Very high97.5Very high111 Ų11169.6 Ų69.659%0.59436%0.36SS*.G310 helixtrans-56.8-39.3-178-78.420.5000112.2K292 R301 F302K292-D299 WeakPolarHBondContact CE-OD1 3.37Å; K292-D299 IonicContact NZ-OD1 2.68Å; K292-D299 PolarHBondContact NZ-OD1 2.96Å; K292-D299 IonicContact NZ-OD2 3.2Å; K292-D299 PolarHBondContact NZ-OD2 3.09Å; K292-D299 VanDerWaalsContact NZ-OD2 3.11Å; D299-R301 PolarHBondContact O-N 3.25Å; D299-F302 PolarHBondContact O-N 2.98Å
300E97.4Very high97.5Very high138 Ų13863.7 Ų63.765%0.64533%0.332SS*.G310 helixtrans-68-13.5177.266.9-84.1-165.500114P298P298-E300 HydrophobicContact CB-CG 4.26Å; P298-E300 WeakPolarHBondContact CB-OE1 3.46Å; P298-E300 VanDerWaalsContact CB-OE2 3.22Å; P298-E300 WeakPolarHBondContact CB-OE2 3.35Å; P298-E300 PolarHBondContact O-N 3.24Å
301R98.1Very high97.5Very high86 Ų8663.4 Ų63.433%0.32533%0.328SS..G310 helixtrans-110.23.1179.1-56.1-162.1178.2-168.3-13.2114E164 T275 H276 V277 V297 P298 D299E164-R301 IonicContact OE1-NH2 3.11Å; T275-R301 WeakPolarHBondContact O-CD 3.41Å; H276-R301 WeakPolarHBondContact CA-O 3.38Å; H276-R301 VanDerWaalsContact CD2-CB 3.48Å; H276-R301 WeakPolarHBondContact CD2-CB 3.33Å; V277-R301 PolarHBondContact N-O 3.42Å; V297-R301 HydrophobicContact CB-CB 4.3Å; P298-R301 CarbonylContact O-C 3.57Å; P298-R301 WeakPolarHBondContact O-CA 3.47Å; P298-R301 PolarHBondContact O-N 3.06Å; D299-R301 PolarHBondContact O-N 3.25Å
302F98.6Very high97.4Very high26 Ų2663.8 Ų63.811%0.11433%0.33CS..EExtended strand (participates in β ladder)trans-109122.2176.9-171.3-90000110.4V277 C279 A288 V291 K292 V297 P298 D299 L304V277-F302 HydrophobicContact CB-CD2 3.98Å; V277-F302 HydrophobicContact CB-CE2 4.3Å; V277-F302 HydrophobicContact CG1-CD2 4.07Å; V277-F302 HydrophobicContact CG1-CE2 3.86Å; V277-F302 CarbonylContact O-C 2.95Å; V277-F302 WeakPolarHBondContact O-CA 3.42Å; C279-F302 HydrophobicContact CB-CZ 4.48Å; A288-F302 HydrophobicContact CB-CE1 4.22Å; A288-F302 HydrophobicContact CB-CZ 4.08Å; A288-F302 VanDerWaalsContact O-CZ 3.26Å; A288-F302 WeakPolarHBondContact O-CZ 3.4Å; V291-F302 HydrophobicContact CB-CE2 4.39Å; V291-F302 HydrophobicContact CG1-CE2 4.06Å; K292-F302 HydrophobicContact CB-CD1 4.39Å; K292-F302 HydrophobicContact CB-CD2 3.81Å; K292-F302 HydrophobicContact CB-CE1 4.25Å; K292-F302 HydrophobicContact CB-CE2 3.65Å; K292-F302 HydrophobicContact CB-CG 4.18Å; K292-F302 HydrophobicContact CB-CZ 3.89Å; K292-F302 HydrophobicContact CD-CB 4.47Å; K292-F302 HydrophobicContact CD-CD1 4.04Å; K292-F302 HydrophobicContact CD-CE1 4.46Å; K292-F302 HydrophobicContact CD-CG 4.07Å; K292-F302 HydrophobicContact CG-CB 4.42Å; K292-F302 HydrophobicContact CG-CD1 4.32Å; K292-F302 HydrophobicContact CG-CD2 3.91Å; K292-F302 HydrophobicContact CG-CE2 4.28Å; K292-F302 HydrophobicContact CG-CG 3.94Å; V297-F302 HydrophobicContact CG2-CB 3.94Å; V297-F302 HydrophobicContact CG2-CD2 3.95Å; V297-F302 HydrophobicContact CG2-CG 4.45Å; P298-F302 PolarHBondContact O-N 3.26Å; D299-F302 PolarHBondContact O-N 2.98Å; F302-L304 HydrophobicContact CE1-CB 4.24Å
303Y98.5Very high97.4Very high72 Ų7261 Ų6128%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-113.1125.3-175.8-56.1-82.5000111.7V156 L166 H276 V277 M278 C279V156-Y303 HydrophobicContact CB-CE2 4.5Å; V156-Y303 HydrophobicContact CG1-CD2 3.85Å; V156-Y303 HydrophobicContact CG1-CE1 4.36Å; V156-Y303 HydrophobicContact CG1-CE2 3.38Å; V156-Y303 HydrophobicContact CG1-CG 4.49Å; V156-Y303 HydrophobicContact CG2-CD1 4Å; V156-Y303 HydrophobicContact CG2-CD2 4.14Å; V156-Y303 HydrophobicContact CG2-CE1 4.2Å; V156-Y303 HydrophobicContact CG2-CE2 4.3Å; V156-Y303 HydrophobicContact CG2-CG 3.98Å; L166-Y303 HydrophobicContact CD1-CD2 4.14Å; L166-Y303 HydrophobicContact CD1-CE2 4.37Å; H276-Y303 HydrophobicContact CB-CE2 4.05Å; H276-Y303 AromaticContact CD2-CE2 3.68Å; H276-Y303 PolarHBondContact CD2-OH 2.97Å; V277-Y303 WeakPolarHBondContact O-CD2 3.39Å; V277-Y303 PolarHBondContact O-N 2.96Å; M278-Y303 CarbonylContact C-O 3.59Å; M278-Y303 VanDerWaalsContact CA-O 3.3Å; M278-Y303 WeakPolarHBondContact CA-O 3.36Å; C279-Y303 PolarHBondContact N-O 3.41Å
304L98.2Very high97.3Very high73 Ų7358.4 Ų58.438%0.38230%0.303SS..  trans-139.6115.9166.9177.969.2000106.7C279 A284 A288 F302 P308C279-L304 HydrophobicContact CB-CD1 4.19Å; A284-L304 HydrophobicContact CB-CD1 3.8Å; A288-L304 HydrophobicContact CB-CD1 4.19Å; A288-L304 HydrophobicContact CB-CD2 3.76Å; A288-L304 HydrophobicContact CB-CG 4.47Å; F302-L304 HydrophobicContact CE1-CB 4.24Å; L304-P308 HydrophobicContact CD1-CB 4.14Å; L304-P308 HydrophobicContact CD1-CG 4.12Å
305S97Very high97.3Very high38 Ų3855.3 Ų55.327%0.26629%0.287SS..  trans-75.5169.1179840000111.3S307 P308 D311S305-S307 PolarHBondContact O-N 3.36Å; S305-S307 VanDerWaalsContact OG-C 3.27Å; S305-S307 PolarHBondContact OG-N 3.32Å; S305-P308 WeakPolarHBondContact OG-CA 3.41Å; S305-D311 VanDerWaalsContact CB-OD1 3.24Å; S305-D311 WeakPolarHBondContact CB-OD1 3.31Å; S305-D311 VanDerWaalsContact OG-CG 3.28Å; S305-D311 PolarHBondContact OG-OD1 3.16Å; S305-D311 PolarHBondContact OG-OD2 2.92Å
306S95.4Very high97.2Very high115 Ų11554.5 Ų54.580%0.80428%0.282SS*.SBendtrans-69.9-11.2173.959.30000113.5
307S95.8Very high97.2Very high54 Ų5446.1 Ų46.138%0.37825%0.245SC..SBendtrans-149.766.3-178.6-59.40000110.4S305 Q309 F310S305-S307 PolarHBondContact O-N 3.36Å; S305-S307 VanDerWaalsContact OG-C 3.27Å; S305-S307 PolarHBondContact OG-N 3.32Å; S307-Q309 PolarHBondContact O-N 3.12Å; S307-F310 PolarHBondContact O-N 3.13Å
308P97.2Very high96.9Very high9 Ų948.8 Ų48.86%0.05826%0.256CS..G310 helixtrans-62.4-22.4-167.523.9-34000113.8G281 A284 E285 L304 S305 F310 D311G281-P308 PolarHBondContact N-O 3.15Å; A284-P308 HydrophobicContact CB-CB 3.57Å; A284-P308 HydrophobicContact CB-CG 3.71Å; E285-P308 HydrophobicContact CG-CG 4.31Å; L304-P308 HydrophobicContact CD1-CB 4.14Å; L304-P308 HydrophobicContact CD1-CG 4.12Å; S305-P308 WeakPolarHBondContact OG-CA 3.41Å; P308-F310 PolarHBondContact O-N 3.17Å; P308-D311 WeakPolarHBondContact CA-OD2 3.29Å; P308-D311 PolarHBondContact O-N 3.32Å
309Q95.5Very high96.7Very high64 Ų6448.7 Ų48.730%0.29925%0.251SS..G310 helixtrans-65.6-18.3173.368.8-178.75.700114.5K13 S307K13-Q309 WeakPolarHBondContact CD-O 3.31Å; S307-Q309 PolarHBondContact O-N 3.12Å
310F97.6Very high96.3Very high26 Ų2648.6 Ų48.611%0.11425%0.245CC..G310 helixtrans-101.5-6.4176.9-68.2-63.5000113K13 T24 I26 S307 P308 L312 V313 M314K13-F310 HydrophobicContact CB-CD1 3.79Å; K13-F310 HydrophobicContact CB-CE1 3.82Å; K13-F310 HydrophobicContact CG-CD1 3.95Å; K13-F310 HydrophobicContact CG-CE1 3.82Å; T24-F310 HydrophobicContact CG2-CD1 4.24Å; T24-F310 HydrophobicContact CG2-CG 4.44Å; I26-F310 HydrophobicContact CB-CE1 4.42Å; I26-F310 HydrophobicContact CB-CZ 4.19Å; S307-F310 PolarHBondContact O-N 3.13Å; P308-F310 PolarHBondContact O-N 3.17Å; F310-L312 PolarHBondContact O-N 2.94Å; F310-L312 VanDerWaalsContact O-N 3.13Å; F310-V313 HydrophobicContact CB-CG2 4.11Å; F310-V313 HydrophobicContact CD1-CG2 4.01Å; F310-V313 WeakPolarHBondContact O-CG2 3.49Å; F310-V313 PolarHBondContact O-N 3.02Å; F310-V313 VanDerWaalsContact O-N 3.12Å; F310-M314 HydrophobicContact CB-CG 4.4Å; F310-M314 WeakPolarHBondContact O-CG 3.34Å; F310-M314 PolarHBondContact O-N 3.13Å
311D97.8Very high95.4Very high16 Ų1643 Ų439%0.08623%0.225CC..Hα-helixtrans-56.3-37.8-173.7-72.2-15.3000112.1A152 M278 V280 S305 P308 M314 G315A152-D311 WeakPolarHBondContact CA-O 3.42Å; A152-D311 HydrophobicContact CB-CB 3.92Å; M278-D311 HydrophobicContact CE-CB 4.2Å; M278-D311 WeakPolarHBondContact CE-OD2 3.45Å; V280-D311 HydrophobicContact CB-CB 4.28Å; V280-D311 HydrophobicContact CG1-CB 4.09Å; S305-D311 VanDerWaalsContact CB-OD1 3.24Å; S305-D311 WeakPolarHBondContact CB-OD1 3.31Å; S305-D311 VanDerWaalsContact OG-CG 3.28Å; S305-D311 PolarHBondContact OG-OD1 3.16Å; S305-D311 PolarHBondContact OG-OD2 2.92Å; P308-D311 WeakPolarHBondContact CA-OD2 3.29Å; P308-D311 PolarHBondContact O-N 3.32Å; D311-M314 PolarHBondContact O-N 3.49Å; D311-G315 PolarHBondContact O-N 3.26Å
312L97.2Very high93.8Very high9 Ų942.2 Ų42.25%0.04724%0.243CC..Hα-helixtrans-60.4-52.8177.6-177.252.3000111.9D6 T101 E148 P151 A152 F310 M314 G315 M316D6-L312 HydrophobicContact CB-CD2 3.91Å; D6-L312 HydrophobicContact CB-CG 4.28Å; T101-L312 HydrophobicContact CG2-CD1 4.46Å; T101-L312 HydrophobicContact CG2-CD2 4.13Å; T101-L312 HydrophobicContact CG2-CG 4.35Å; E148-L312 HydrophobicContact CB-CD2 4.36Å; E148-L312 HydrophobicContact CG-CD2 4.18Å; P151-L312 HydrophobicContact CB-CD1 3.83Å; P151-L312 HydrophobicContact CG-CD1 3.83Å; A152-L312 HydrophobicContact CB-CB 4.42Å; F310-L312 PolarHBondContact O-N 2.94Å; F310-L312 VanDerWaalsContact O-N 3.13Å; L312-M314 PolarHBondContact O-N 3.04Å; L312-G315 PolarHBondContact O-N 2.9Å; L312-M316 HydrophobicContact CG-CE 4.3Å; L312-M316 VanDerWaalsContact O-CG 3.29Å; L312-M316 WeakPolarHBondContact O-CG 3.21Å; L312-M316 PolarHBondContact O-N 2.8Å
313V97.6Very high91.6Very high0 Ų044.1 Ų44.10%026%0.257CS..Hα-helixtrans-67.5-34178.8-67.60000112.8F4 D6 K13 A15 F310 M316 I317F4-V313 HydrophobicContact CB-CB 4.45Å; D6-V313 HydrophobicContact CB-CG1 3.85Å; D6-V313 VanDerWaalsContact N-CG1 3.34Å; K13-V313 HydrophobicContact CB-CG1 4.36Å; K13-V313 HydrophobicContact CB-CG2 4.45Å; K13-V313 WeakPolarHBondContact O-CG1 3.3Å; A15-V313 HydrophobicContact CB-CB 3.77Å; A15-V313 HydrophobicContact CB-CG2 3.79Å; F310-V313 HydrophobicContact CB-CG2 4.11Å; F310-V313 HydrophobicContact CD1-CG2 4.01Å; F310-V313 WeakPolarHBondContact O-CG2 3.49Å; F310-V313 PolarHBondContact O-N 3.02Å; F310-V313 VanDerWaalsContact O-N 3.12Å; V313-M316 HydrophobicContact CB-CE 4.11Å; V313-M316 HydrophobicContact CG1-CE 3.56Å; V313-M316 PolarHBondContact O-N 3.11Å; V313-I317 PolarHBondContact O-N 3.42Å
314M97.1Very high88.7Confident51 Ų5146.4 Ų46.425%0.25128%0.278SS..Hα-helixtrans-64.8-43.4173.9-67.6-56.1102.400111.5A15 V22 T24 F310 D311 L312 I317 K318A15-M314 HydrophobicContact CB-CE 3.31Å; V22-M314 HydrophobicContact CG1-CE 3.59Å; V22-M314 HydrophobicContact CG1-SD 3.79Å; T24-M314 HydrophobicContact CG2-CE 3.28Å; T24-M314 HydrophobicContact CG2-SD 4.43Å; F310-M314 HydrophobicContact CB-CG 4.4Å; F310-M314 WeakPolarHBondContact O-CG 3.34Å; F310-M314 PolarHBondContact O-N 3.13Å; D311-M314 PolarHBondContact O-N 3.49Å; L312-M314 PolarHBondContact O-N 3.04Å; M314-I317 HydrophobicContact CE-CD1 4.2Å; M314-I317 PolarHBondContact O-N 3.01Å; M314-K318 PolarHBondContact O-N 3.31Å; M314-K318 VanDerWaalsContact O-N 3.14Å
315G96.4Very high86Confident1 Ų147.9 Ų47.91%0.0129%0.287CS..Hα-helixtrans-59.8-44.8173.300000112.4P151 D311 L312 I317 K318 M319P151-G315 WeakPolarHBondContact O-CA 3.24Å; D311-G315 PolarHBondContact O-N 3.26Å; L312-G315 PolarHBondContact O-N 2.9Å; G315-I317 PolarHBondContact O-N 3.42Å; G315-K318 PolarHBondContact O-N 3.2Å; G315-M319 WeakPolarHBondContact O-CB 3.44Å; G315-M319 VanDerWaalsContact O-CG 3.3Å; G315-M319 WeakPolarHBondContact O-CG 3.21Å; G315-M319 PolarHBondContact O-N 2.7Å
316M96.9Very high82.9Confident0 Ų058.6 Ų58.60%033%0.333CS..Hα-helixtrans-62.1-41.3176.1-67.6-167.9-74.500113F4 I99 T101 L146 P151 L312 V313 K318 M319 K320F4-M316 HydrophobicContact CB-CB 4.29Å; F4-M316 HydrophobicContact CB-CE 4.24Å; F4-M316 HydrophobicContact CD1-CB 3.63Å; F4-M316 HydrophobicContact CE1-CB 4.4Å; F4-M316 WeakPolarHBondContact CE1-O 3.39Å; F4-M316 HydrophobicContact CG-CB 4.27Å; I99-M316 HydrophobicContact CG2-SD 4.1Å; T101-M316 HydrophobicContact CG2-CE 3.88Å; T101-M316 HydrophobicContact CG2-SD 3.54Å; T101-M316 VanDerWaalsContact CG2-SD 3.54Å; L146-M316 HydrophobicContact CB-SD 4.42Å; L146-M316 HydrophobicContact CD1-CB 4.25Å; L146-M316 HydrophobicContact CD1-CG 3.68Å; L146-M316 HydrophobicContact CD1-SD 3.92Å; P151-M316 HydrophobicContact CB-CG 3.87Å; P151-M316 HydrophobicContact CG-CG 4.29Å; L312-M316 HydrophobicContact CG-CE 4.3Å; L312-M316 VanDerWaalsContact O-CG 3.29Å; L312-M316 WeakPolarHBondContact O-CG 3.21Å; L312-M316 PolarHBondContact O-N 2.8Å; V313-M316 HydrophobicContact CB-CE 4.11Å; V313-M316 HydrophobicContact CG1-CE 3.56Å; V313-M316 PolarHBondContact O-N 3.11Å; M316-K318 VanDerWaalsContact C-N 3.33Å; M316-K318 PolarHBondContact O-N 3.16Å; M316-M319 PolarHBondContact O-N 3.46Å; M316-K320 WeakPolarHBondContact O-CB 3.37Å; M316-K320 PolarHBondContact O-N 3.36Å
317I95.3Very high82.2Confident4 Ų455.8 Ų55.82%0.02131%0.309CS..Hα-helixtrans-57.3-46.9173.8-79.5176.7000110.7F4 A15 V22 V313 M314 G315 M319 K320 G321 V323F4-I317 HydrophobicContact CB-CG1 4.29Å; F4-I317 HydrophobicContact CD1-CG1 4.4Å; F4-I317 HydrophobicContact CD2-CB 4.34Å; F4-I317 HydrophobicContact CD2-CD1 3.95Å; F4-I317 HydrophobicContact CD2-CG1 3.15Å; F4-I317 HydrophobicContact CE2-CB 4.33Å; F4-I317 HydrophobicContact CE2-CD1 4.42Å; F4-I317 HydrophobicContact CE2-CG1 3.44Å; F4-I317 VanDerWaalsContact CE2-CG1 3.44Å; F4-I317 HydrophobicContact CG-CG1 3.68Å; F4-I317 HydrophobicContact CZ-CG1 4.19Å; A15-I317 HydrophobicContact CB-CD1 3.36Å; A15-I317 HydrophobicContact CB-CG1 4.28Å; V22-I317 HydrophobicContact CG1-CD1 3.57Å; V22-I317 HydrophobicContact CG2-CD1 4.28Å; V22-I317 HydrophobicContact CG2-CG2 4.43Å; V313-I317 PolarHBondContact O-N 3.42Å; M314-I317 HydrophobicContact CE-CD1 4.2Å; M314-I317 PolarHBondContact O-N 3.01Å; G315-I317 PolarHBondContact O-N 3.42Å; I317-M319 VanDerWaalsContact C-N 3.33Å; I317-M319 PolarHBondContact O-N 3.45Å; I317-K320 PolarHBondContact O-N 2.88Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 3.38Å; I317-V323 HydrophobicContact CG2-CG2 3.99Å
318K93.2Very high81.5Confident73 Ų7355.8 Ų55.832%0.31731%0.305SS..Hα-helixtrans-66.9-36.6179.5-67.8179.6-179.6-166.50112.1F154 S155 M314 G315 M316F154-K318 HydrophobicContact CD1-CB 3.59Å; F154-K318 HydrophobicContact CE1-CB 3.76Å; S155-K318 WeakPolarHBondContact OG-CD 3.37Å; S155-K318 WeakPolarHBondContact OG-CE 3.45Å; S155-K318 PolarHBondContact OG-NZ 2.85Å; M314-K318 PolarHBondContact O-N 3.31Å; M314-K318 VanDerWaalsContact O-N 3.14Å; G315-K318 PolarHBondContact O-N 3.2Å; M316-K318 VanDerWaalsContact C-N 3.33Å; M316-K318 PolarHBondContact O-N 3.16Å
319M91.6Very high80.7Confident57 Ų5758.4 Ų58.428%0.28132%0.319SS..Hα-helixtrans-70.3-33.8178-74.1-179.971.900114.5P151 F154 M185 G315 M316 I317P151-M319 HydrophobicContact CB-SD 3.56Å; P151-M319 VanDerWaalsContact CB-SD 3.56Å; P151-M319 HydrophobicContact CG-SD 4.17Å; F154-M319 HydrophobicContact CB-CG 3.87Å; F154-M319 HydrophobicContact CB-SD 4.11Å; F154-M319 HydrophobicContact CD1-CG 3.83Å; F154-M319 HydrophobicContact CD2-CG 3.24Å; F154-M319 HydrophobicContact CD2-SD 3.94Å; F154-M319 HydrophobicContact CE1-CG 4.16Å; F154-M319 HydrophobicContact CE2-CG 3.62Å; F154-M319 HydrophobicContact CG-CG 3.35Å; F154-M319 HydrophobicContact CG-SD 4.15Å; F154-M319 HydrophobicContact CZ-CG 4.06Å; M185-M319 HydrophobicContact CE-CE 4.09Å; G315-M319 WeakPolarHBondContact O-CB 3.44Å; G315-M319 VanDerWaalsContact O-CG 3.3Å; G315-M319 WeakPolarHBondContact O-CG 3.21Å; G315-M319 PolarHBondContact O-N 2.7Å; M316-M319 PolarHBondContact O-N 3.46Å; I317-M319 VanDerWaalsContact C-N 3.33Å; I317-M319 PolarHBondContact O-N 3.45Å
320K89.6Confident79.8Confident109 Ų10958.1 Ų58.147%0.47432%0.32SS..Hα-helixtrans-135.4-10.8-164.4-69.7-63.2-175.6-174.40115.1K2 F4 L146 M316 I317K2-K320 PolarHBondContact NZ-O 2.94Å; F4-K320 HydrophobicContact CE1-CB 3.73Å; F4-K320 HydrophobicContact CZ-CB 4.3Å; L146-K320 HydrophobicContact CD1-CG 4.28Å; M316-K320 WeakPolarHBondContact O-CB 3.37Å; M316-K320 PolarHBondContact O-N 3.36Å; I317-K320 PolarHBondContact O-N 2.88Å
321G79Confident78.7Confident21 Ų2160.1 Ų60.122%0.21633%0.333CS..SBendtrans-79.2-20.4178.100000113.6I317 V323I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 3.38Å; G321-V323 VanDerWaalsContact C-N 3.31Å
322G64.6Low77.4Confident69 Ų6963.1 Ų63.171%0.71135%0.35SS*.  trans79.114.7-175.700000113.6T324G322-T324 PolarHBondContact O-N 3.47Å
323V52.7Low76Confident65 Ų6566.9 Ų66.939%0.39437%0.371SS..  trans-76.3101.2171.3-173.90000107.4L17 I317 G321L17-V323 HydrophobicContact CD1-CG2 3.89Å; L17-V323 HydrophobicContact CD2-CG2 4.33Å; I317-V323 HydrophobicContact CG2-CG2 3.99Å; G321-V323 VanDerWaalsContact C-N 3.31Å
324T37.6Very low74.3Confident120 Ų12072.1 Ų72.174%0.73640%0.4SS*.  trans-71.1128.8166.143.40000108.1G322 E326G322-T324 PolarHBondContact O-N 3.47Å; T324-E326 PolarHBondContact O-N 2.85Å; T324-E326 VanDerWaalsContact O-N 3.15Å
325N39.9Very low72.4Confident105 Ų10573.8 Ų73.856%0.56141%0.412SS*.  trans-54120.1170.5-68.1-27.3000108.2
326E32.2Very low70.2Confident262 Ų26280.5 Ų80.5100%1.22445%0.449SS*.  trans-76.50149.8-71.4-173.3166.400108.7T324T324-E326 PolarHBondContact O-N 2.85Å; T324-E326 VanDerWaalsContact O-N 3.15Å

Retrieved 326 of 326 residues in 2102.8 ms (Link to these results)

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