A0A077ZDA1_TRITR Loading...

Probable transcriptional regulator ycf [pt] two component system ompr family response regulator rpab

AlphaFold DB , UniProt , Accession A0A077ZDA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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
1M74.6Confident94.2Very high131 Ų13143.6 Ų43.665%0.64521%0.214SC*.  0120.40-175.5173.5-95.700106D25 V27M1-D25 CarbonylContact C-O 3.12Å; M1-D25 WeakPolarHBondContact CA-O 3.21Å; M1-D25 WeakPolarHBondContact CG-O 3.43Å; M1-V27 HydrophobicContact CE-CG2 4.35Å; M1-V27 HydrophobicContact CG-CG2 3.63Å; M1-V27 HydrophobicContact SD-CG2 3.29Å; M1-V27 WeakPolarHBondContact SD-CG2 3.49Å
2K86.9Confident94.4Very high53 Ų5351.4 Ų51.423%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-86122.4-172.6-66.9-61.4-174.9174.90110.3D25 K26 V27 D47 L116K2-D25 PolarHBondContact N-O 2.7Å; K2-K26 HydrophobicContact CB-CG 4.15Å; K2-K26 CarbonylContact O-C 3.25Å; K2-K26 WeakPolarHBondContact O-CA 3.42Å; K2-V27 PolarHBondContact O-N 3.34Å; K2-D47 VanDerWaalsContact CA-OD2 3.29Å; K2-D47 WeakPolarHBondContact CA-OD2 3.45Å; K2-D47 HydrophobicContact CB-CB 4.48Å; K2-D47 HydrophobicContact CD-CB 3.91Å; K2-D47 VanDerWaalsContact CD-CG 3.44Å; K2-D47 WeakPolarHBondContact CD-OD1 3.42Å; K2-D47 IonicContact NZ-OD1 2.72Å; K2-D47 PolarHBondContact NZ-OD1 3.08Å; K2-L116 HydrophobicContact CB-CD1 4.47Å; K2-L116 HydrophobicContact CD-CD2 4.27Å
3R93Very high94.6Very high92 Ų9250.6 Ų50.635%0.34725%0.254SS..EExtended strand (participates in β ladder)trans-96.4118.9-179.3-71.1167.2179.8162.92109.6V27 Y29 A45 I46 D47 L48R3-V27 CarbonylContact C-O 3.58Å; R3-V27 WeakPolarHBondContact CA-O 3.43Å; R3-V27 HydrophobicContact CG-CB 4.33Å; R3-Y29 HydrophobicContact CB-CE2 4.09Å; R3-Y29 HydrophobicContact CG-CE2 4.09Å; R3-A45 WeakPolarHBondContact CD-O 3.45Å; R3-A45 PolarHBondContact NH1-O 3.47Å; R3-I46 HydrophobicContact CB-CD1 4.1Å; R3-D47 PolarHBondContact N-OD2 3.43Å; R3-D47 PolarHBondContact O-N 2.84Å; R3-L48 PolarHBondContact O-N 2.98Å
4I96.9Very high94.8Very high0 Ų047.2 Ų47.20%024%0.237CC..EExtended strand (participates in β ladder)trans-112.2125.8-178.5-58.1177.5000108.4I6 K26 V27 F28 Y29 L48 V112 L116I4-I6 HydrophobicContact CG2-CG1 4.33Å; I4-K26 HydrophobicContact CD1-CD 3.86Å; I4-K26 HydrophobicContact CD1-CG 4.14Å; I4-V27 PolarHBondContact N-O 3.36Å; I4-F28 HydrophobicContact CB-CD1 3.84Å; I4-F28 HydrophobicContact CB-CE1 3.94Å; I4-F28 HydrophobicContact CD1-CD1 4.48Å; I4-F28 HydrophobicContact CD1-CE1 3.72Å; I4-F28 HydrophobicContact CD1-CZ 4.11Å; I4-F28 HydrophobicContact CG1-CE1 4.34Å; I4-F28 HydrophobicContact CG2-CD1 4.1Å; I4-F28 HydrophobicContact CG2-CE1 4.14Å; I4-F28 CarbonylContact O-C 3.58Å; I4-F28 VanDerWaalsContact O-CA 3.31Å; I4-F28 WeakPolarHBondContact O-CA 3.46Å; I4-Y29 PolarHBondContact O-N 2.78Å; I4-L48 CarbonylContact C-O 3.54Å; I4-L48 VanDerWaalsContact CA-O 3.3Å; I4-L48 WeakPolarHBondContact CA-O 3.3Å; I4-L48 HydrophobicContact CG2-CD2 3.85Å; I4-V112 HydrophobicContact CD1-CG1 4.2Å; I4-L116 HydrophobicContact CD1-CD1 3.86Å; I4-L116 HydrophobicContact CG1-CD1 4.32Å
5L98.2Very high94.9Very high0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-98.3127.5172.8176.260.9000109Y29 C31 A37 I40 L41 I46 L48 M49 L50L5-Y29 CarbonylContact C-O 3.59Å; L5-Y29 WeakPolarHBondContact CA-O 3.46Å; L5-C31 HydrophobicContact CD1-CB 4.38Å; L5-A37 HydrophobicContact CD2-CB 4.1Å; L5-I40 HydrophobicContact CD1-CB 4.36Å; L5-I40 HydrophobicContact CD1-CG2 4.15Å; L5-L41 HydrophobicContact CD2-CD1 4.34Å; L5-L41 HydrophobicContact CD2-CD2 4.08Å; L5-L41 HydrophobicContact CD2-CG 3.95Å; L5-I46 HydrophobicContact CB-CD1 4.27Å; L5-I46 HydrophobicContact CB-CG1 4.31Å; L5-I46 HydrophobicContact CB-CG2 3.87Å; L5-L48 PolarHBondContact N-O 3.35Å; L5-M49 HydrophobicContact CB-CB 4.29Å; L5-M49 HydrophobicContact CB-CG 4.2Å; L5-M49 HydrophobicContact CD2-CE 4.23Å; L5-M49 HydrophobicContact CD2-CG 4.09Å; L5-M49 HydrophobicContact CD2-SD 3.97Å; L5-M49 HydrophobicContact CG-CG 4.15Å; L5-M49 CarbonylContact O-C 3.56Å; L5-M49 VanDerWaalsContact O-CA 3.29Å; L5-M49 WeakPolarHBondContact O-CA 3.46Å; L5-L50 PolarHBondContact O-N 3.31Å
6I98.5Very high95Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-113109.2176.2-51.6172.1000107I4 E8 I17 K18 F28 Y29 Q30 C31 L50I4-I6 HydrophobicContact CG2-CG1 4.33Å; I6-E8 HydrophobicContact CG2-CB 4.17Å; I6-I17 HydrophobicContact CD1-CB 4.36Å; I6-I17 HydrophobicContact CD1-CG2 3.69Å; I6-I17 HydrophobicContact CG1-CG2 4.26Å; I6-I17 HydrophobicContact CG2-CD1 4.48Å; I6-I17 HydrophobicContact CG2-CG2 4.35Å; I6-K18 HydrophobicContact CD1-CB 4Å; I6-F28 HydrophobicContact CD1-CD1 3.81Å; I6-F28 HydrophobicContact CD1-CE1 4.49Å; I6-F28 HydrophobicContact CG1-CD1 4.39Å; I6-Y29 PolarHBondContact N-O 2.87Å; I6-Q30 HydrophobicContact CD1-CG 4.36Å; I6-C31 PolarHBondContact O-N 2.77Å; I6-L50 HydrophobicContact CG1-CD1 4.28Å
7L98.7Very high95.2Very high0 Ų044.3 Ų44.30%023%0.231CC..EExtended strand (participates in β ladder)trans-106.197.5174.7177.654000109.2C31 K33 I34 A37 M49 L50 L51 D52 L55 F63L7-C31 WeakPolarHBondContact CA-O 3.15Å; L7-C31 HydrophobicContact CD1-CB 3.89Å; L7-K33 VanDerWaalsContact CD1-C 3.48Å; L7-K33 WeakPolarHBondContact CD1-O 3.27Å; L7-I34 HydrophobicContact CD2-CG1 4.3Å; L7-A37 HydrophobicContact CD1-CB 4.3Å; L7-A37 HydrophobicContact CD2-CB 3.77Å; L7-A37 HydrophobicContact CG-CB 4.46Å; L7-M49 HydrophobicContact CB-CE 3.82Å; L7-M49 HydrophobicContact CD2-CE 3.63Å; L7-M49 HydrophobicContact CG-CE 4.39Å; L7-L50 PolarHBondContact N-O 2.85Å; L7-L51 HydrophobicContact CD2-CD1 3.71Å; L7-L51 HydrophobicContact CG-CD1 4.29Å; L7-D52 PolarHBondContact O-N 3.23Å; L7-L55 HydrophobicContact CD1-CD1 4.1Å; L7-L55 HydrophobicContact CD1-CD2 3.87Å; L7-L55 HydrophobicContact CD2-CD1 3.55Å; L7-L55 HydrophobicContact CG-CD1 3.66Å; L7-L55 HydrophobicContact CG-CD2 3.9Å; L7-L55 HydrophobicContact CG-CG 4.45Å; L7-F63 HydrophobicContact CD2-CD1 3.8Å; L7-F63 HydrophobicContact CD2-CE1 3.62Å
8E98.1Very high95.2Very high3 Ų346.1 Ų46.11%0.01424%0.236CC..  trans-153.5125.4-172.9173.267.4-132.100108.2I6 D10 L13 N14 C31 K101I6-E8 HydrophobicContact CG2-CB 4.17Å; E8-D10 HydrophobicContact CG-CB 4.33Å; E8-D10 WeakPolarHBondContact CG-O 3.46Å; E8-D10 WeakPolarHBondContact OE1-CB 3.19Å; E8-D10 PolarHBondContact OE1-N 2.83Å; E8-L13 HydrophobicContact CG-CB 4.28Å; E8-L13 HydrophobicContact CG-CD2 4.28Å; E8-L13 HydrophobicContact CG-CG 4.27Å; E8-N14 HydrophobicContact CB-CB 4.12Å; E8-N14 HydrophobicContact CG-CB 4.07Å; E8-N14 PolarHBondContact O-ND2 2.86Å; E8-C31 PolarHBondContact N-O 2.99Å; E8-C31 VanDerWaalsContact O-O 3.1Å; E8-K101 IonicContact OE1-NZ 2.64Å; E8-K101 PolarHBondContact OE1-NZ 3.12Å; E8-K101 WeakPolarHBondContact OE2-CE 3.48Å; E8-K101 IonicContact OE2-NZ 2.82Å; E8-K101 PolarHBondContact OE2-NZ 3.01Å
9D97.3Very high95.2Very high69 Ų6951.7 Ų51.737%0.36926%0.263SS..SBendtrans-82.6-30.5-176.970-45.2000112.9T11 P56D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 VanDerWaalsContact O-N 3.14Å; D9-P56 HydrophobicContact CB-CG 4.43Å
10D97.1Very high95Very high78 Ų7850.4 Ų50.442%0.41726%0.261SS..  trans-63112.7169-174.4-39.9000109.9E8 D12 L13 N14E8-D10 HydrophobicContact CG-CB 4.33Å; E8-D10 WeakPolarHBondContact CG-O 3.46Å; E8-D10 WeakPolarHBondContact OE1-CB 3.19Å; E8-D10 PolarHBondContact OE1-N 2.83Å; D10-D12 PolarHBondContact OD1-N 2.99Å; D10-L13 HydrophobicContact CB-CB 4.03Å; D10-L13 PolarHBondContact OD1-N 2.81Å; D10-N14 WeakPolarHBondContact O-CB 3.23Å; D10-N14 PolarHBondContact O-N 2.83Å
11T96.8Very high94.8Very high54 Ų5448.1 Ų48.133%0.33125%0.249SC..Hα-helixtrans-69.6-37.4-174.4-55.70000112D9 N14 D15 K32D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 VanDerWaalsContact O-N 3.14Å; T11-N14 PolarHBondContact O-N 3.23Å; T11-D15 WeakPolarHBondContact O-CB 3.48Å; T11-D15 PolarHBondContact O-N 3.11Å; T11-K32 WeakPolarHBondContact OG1-CE 3.18Å; T11-K32 PolarHBondContact OG1-NZ 3.1Å
12D96.8Very high95.5Very high137 Ų13746.8 Ų46.873%0.73324%0.244SC*.Hα-helixtrans-69.5-41.9-178.2-67.5-25.7000110.1D10 G16D10-D12 PolarHBondContact OD1-N 2.99Å; D12-G16 PolarHBondContact O-N 3.39Å
13L96.6Very high95.2Very high41 Ų4147.8 Ų47.822%0.21525%0.25CS..Hα-helixtrans-66.6-44.1174.2-177.557.4000111.4E8 D10 D15 G16 I17 K101 F103E8-L13 HydrophobicContact CG-CB 4.28Å; E8-L13 HydrophobicContact CG-CD2 4.28Å; E8-L13 HydrophobicContact CG-CG 4.27Å; D10-L13 HydrophobicContact CB-CB 4.03Å; D10-L13 PolarHBondContact OD1-N 2.81Å; L13-D15 PolarHBondContact O-N 3.17Å; L13-G16 PolarHBondContact O-N 2.76Å; L13-I17 HydrophobicContact CD1-CD1 4Å; L13-I17 HydrophobicContact CD1-CG1 4.03Å; L13-I17 HydrophobicContact CG-CD1 3.88Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CG1 3.32Å; L13-I17 PolarHBondContact O-N 2.72Å; L13-K101 HydrophobicContact CD2-CD 4.04Å; L13-F103 HydrophobicContact CD1-CZ 4.37Å
14N97.6Very high94.3Very high3 Ų349.7 Ų49.72%0.01626%0.263CS..Hα-helixtrans-58.6-47.9179.1-167.3-45.1000111.7E8 D10 T11 I17 K18 Q30 C31E8-N14 HydrophobicContact CB-CB 4.12Å; E8-N14 HydrophobicContact CG-CB 4.07Å; E8-N14 PolarHBondContact O-ND2 2.86Å; D10-N14 WeakPolarHBondContact O-CB 3.23Å; D10-N14 PolarHBondContact O-N 2.83Å; T11-N14 PolarHBondContact O-N 3.23Å; N14-I17 PolarHBondContact O-N 2.79Å; N14-K18 PolarHBondContact O-N 3.08Å; N14-K18 VanDerWaalsContact O-N 3.13Å; N14-Q30 PolarHBondContact O-NE2 2.98Å; N14-Q30 VanDerWaalsContact OD1-CB 3.3Å; N14-Q30 WeakPolarHBondContact OD1-CB 3.41Å; N14-Q30 WeakPolarHBondContact OD1-CG 3.38Å; N14-Q30 PolarHBondContact OD1-NE2 2.97Å; N14-C31 PolarHBondContact ND2-O 3.4Å
15D96.9Very high93.5Very high70 Ų7052.9 Ų52.937%0.37428%0.28SS..Hα-helixtrans-68.2-41.1177-75.1-25.6000112T11 L13 I17 K18 M19 Q30T11-D15 WeakPolarHBondContact O-CB 3.48Å; T11-D15 PolarHBondContact O-N 3.11Å; L13-D15 PolarHBondContact O-N 3.17Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 2.74Å; D15-K18 PolarHBondContact O-N 3.3Å; D15-M19 WeakPolarHBondContact O-CB 3.44Å; D15-M19 WeakPolarHBondContact O-CG 3.27Å; D15-M19 PolarHBondContact O-N 3.09Å; D15-Q30 PolarHBondContact OD1-NE2 3.45Å
16G96.4Very high92.9Very high22 Ų2254 Ų5423%0.22729%0.285CS..Hα-helixtrans-59.4-40.5175.200000112.9D12 L13 A20D12-G16 PolarHBondContact O-N 3.39Å; L13-G16 PolarHBondContact O-N 2.76Å; G16-A20 WeakPolarHBondContact O-CB 3.38Å; G16-A20 PolarHBondContact O-N 3.23Å
17I97.5Very high92.6Very high0 Ų056.2 Ų56.20%030%0.298CS..Hα-helixtrans-63.5-50175-72.2170.9000110.8I6 L13 N14 D15 M19 A20 L21 L50 I78 F103 L105 L108I6-I17 HydrophobicContact CD1-CB 4.36Å; I6-I17 HydrophobicContact CD1-CG2 3.69Å; I6-I17 HydrophobicContact CG1-CG2 4.26Å; I6-I17 HydrophobicContact CG2-CD1 4.48Å; I6-I17 HydrophobicContact CG2-CG2 4.35Å; L13-I17 HydrophobicContact CD1-CD1 4Å; L13-I17 HydrophobicContact CD1-CG1 4.03Å; L13-I17 HydrophobicContact CG-CD1 3.88Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CG1 3.32Å; L13-I17 PolarHBondContact O-N 2.72Å; N14-I17 PolarHBondContact O-N 2.79Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 2.74Å; I17-M19 PolarHBondContact O-N 3.26Å; I17-A20 PolarHBondContact O-N 3.28Å; I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.27Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.02Å; I17-L21 PolarHBondContact O-N 3.46Å; I17-L50 HydrophobicContact CG2-CD1 3.45Å; I17-L50 VanDerWaalsContact CG2-CD1 3.45Å; I17-I78 HydrophobicContact CD1-CD1 3.74Å; I17-F103 HydrophobicContact CD1-CZ 4.44Å; I17-L105 HydrophobicContact CG1-CD2 3.96Å; I17-L108 HydrophobicContact CB-CD2 4.29Å; I17-L108 HydrophobicContact CD1-CD2 4.03Å; I17-L108 HydrophobicContact CG1-CD2 3.68Å; I17-L108 HydrophobicContact CG2-CD2 3.79Å
18K96.2Very high92.5Very high76 Ų7657.6 Ų57.633%0.3330%0.304SS..Hα-helixtrans-56.8-51.2178.2172.6178.6168.6-165.40110.6I6 N14 D15 A20 L21 D22 F28 Q30I6-K18 HydrophobicContact CD1-CB 4Å; N14-K18 PolarHBondContact O-N 3.08Å; N14-K18 VanDerWaalsContact O-N 3.13Å; D15-K18 PolarHBondContact O-N 3.3Å; K18-A20 VanDerWaalsContact C-N 3.31Å; K18-A20 PolarHBondContact O-N 3.49Å; K18-L21 PolarHBondContact O-N 3.46Å; K18-D22 WeakPolarHBondContact O-CB 3.35Å; K18-D22 PolarHBondContact O-N 2.94Å; K18-F28 HydrophobicContact CD-CB 4.27Å; K18-F28 HydrophobicContact CG-CB 4.18Å; K18-F28 HydrophobicContact CG-CD1 4.49Å; K18-F28 HydrophobicContact CG-CD2 4.12Å; K18-F28 HydrophobicContact CG-CG 4.01Å; K18-Q30 HydrophobicContact CD-CG 4.12Å
19M94.2Very high92.5Very high153 Ų15359.5 Ų59.575%0.75431%0.312SS*.Hα-helixtrans-57.9-42179.4-72.1-179.369.900112.4D15 I17 L21D15-M19 WeakPolarHBondContact O-CB 3.44Å; D15-M19 WeakPolarHBondContact O-CG 3.27Å; D15-M19 PolarHBondContact O-N 3.09Å; I17-M19 PolarHBondContact O-N 3.26Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.01Å
20A91Very high92.5Very high26 Ų2659.3 Ų59.322%0.21531%0.308CS..Hα-helixtrans-72-26.6-179.200000114.3G16 I17 K18 L105G16-A20 WeakPolarHBondContact O-CB 3.38Å; G16-A20 PolarHBondContact O-N 3.23Å; I17-A20 PolarHBondContact O-N 3.28Å; K18-A20 VanDerWaalsContact C-N 3.31Å; K18-A20 PolarHBondContact O-N 3.49Å; A20-L105 HydrophobicContact CB-CB 3.77Å; A20-L105 HydrophobicContact CB-CD1 3.89Å; A20-L105 HydrophobicContact CB-CD2 4.23Å; A20-L105 HydrophobicContact CB-CG 4.17Å
21L92.4Very high92.6Very high2 Ų255.8 Ų55.81%0.0129%0.29CS..Hα-helixtrans-95-10.7-179.7-63.6-179.6000113.4I17 K18 M19 Q23 K26 F28 L50 R109 V112I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.27Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.02Å; I17-L21 PolarHBondContact O-N 3.46Å; K18-L21 PolarHBondContact O-N 3.46Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.01Å; L21-Q23 PolarHBondContact O-N 2.91Å; L21-K26 VanDerWaalsContact O-CD 3.31Å; L21-K26 WeakPolarHBondContact O-CD 3.4Å; L21-K26 PolarHBondContact O-NZ 2.99Å; L21-F28 HydrophobicContact CB-CE1 3.67Å; L21-F28 HydrophobicContact CB-CZ 3.6Å; L21-F28 HydrophobicContact CD1-CE1 4.25Å; L21-L50 HydrophobicContact CD1-CD1 4.04Å; L21-R109 HydrophobicContact CD2-CB 3.81Å; L21-R109 HydrophobicContact CD2-CG 4.16Å; L21-V112 HydrophobicContact CD1-CG1 4.46Å; L21-V112 HydrophobicContact CD1-CG2 4.01Å; L21-V112 HydrophobicContact CD2-CB 4.25Å; L21-V112 HydrophobicContact CD2-CG1 4.32Å; L21-V112 HydrophobicContact CD2-CG2 4.26Å
22D87.5Confident92.6Very high103 Ų10357.4 Ų57.455%0.55129%0.292SS*.  trans-62.3122.2-170.7-161.524.3000112.5K18 F28K18-D22 WeakPolarHBondContact O-CB 3.35Å; K18-D22 PolarHBondContact O-N 2.94Å; D22-F28 HydrophobicContact CB-CE2 4.43Å
23Q81.6Confident92.7Very high75 Ų7555.5 Ų55.535%0.3528%0.277SS..  trans-151.9149.7-178.8-65.4-176.6-34.900108.2L21 D25 K26L21-Q23 PolarHBondContact O-N 2.91Å; Q23-D25 WeakPolarHBondContact CB-OD1 3.38Å; Q23-D25 PolarHBondContact O-N 3.32Å; Q23-K26 HydrophobicContact CB-CD 4.22Å; Q23-K26 PolarHBondContact O-N 3.03Å
24E73.8Confident92.8Very high132 Ų13254.2 Ų54.262%0.61727%0.271SS*.THydrogen-bonded Turntrans-57.2-18.5-173.6-62.8-178.9179.900115.3
25D80.1Confident92.8Very high66 Ų6656.8 Ų56.835%0.35329%0.289SS..THydrogen-bonded Turntrans-93.7-2.9-179.773.2-45.8000113.7M1 K2 Q23M1-D25 CarbonylContact C-O 3.12Å; M1-D25 WeakPolarHBondContact CA-O 3.21Å; M1-D25 WeakPolarHBondContact CG-O 3.43Å; K2-D25 PolarHBondContact N-O 2.7Å; Q23-D25 WeakPolarHBondContact CB-OD1 3.38Å; Q23-D25 PolarHBondContact O-N 3.32Å
26K86Confident92.9Very high24 Ų2456.8 Ų56.810%0.10429%0.287CS..EExtended strand (participates in β ladder)trans-113.5151.1-176.2-68.4165.5-176.8161.30113.1K2 I4 L21 Q23 F28K2-K26 HydrophobicContact CB-CG 4.15Å; K2-K26 CarbonylContact O-C 3.25Å; K2-K26 WeakPolarHBondContact O-CA 3.42Å; I4-K26 HydrophobicContact CD1-CD 3.86Å; I4-K26 HydrophobicContact CD1-CG 4.14Å; L21-K26 VanDerWaalsContact O-CD 3.31Å; L21-K26 WeakPolarHBondContact O-CD 3.4Å; L21-K26 PolarHBondContact O-NZ 2.99Å; Q23-K26 HydrophobicContact CB-CD 4.22Å; Q23-K26 PolarHBondContact O-N 3.03Å; K26-F28 HydrophobicContact CB-CE2 3.76Å; K26-F28 HydrophobicContact CB-CZ 3.93Å; K26-F28 HydrophobicContact CD-CZ 4.03Å
27V92.5Very high93Very high46 Ų4655.7 Ų55.728%0.27928%0.276SS..EExtended strand (participates in β ladder)trans-130.1137.2171.5169.80000107.7M1 K2 R3 I4 Y29M1-V27 HydrophobicContact CE-CG2 4.35Å; M1-V27 HydrophobicContact CG-CG2 3.63Å; M1-V27 HydrophobicContact SD-CG2 3.29Å; M1-V27 WeakPolarHBondContact SD-CG2 3.49Å; K2-V27 PolarHBondContact O-N 3.34Å; R3-V27 CarbonylContact C-O 3.58Å; R3-V27 WeakPolarHBondContact CA-O 3.43Å; R3-V27 HydrophobicContact CG-CB 4.33Å; I4-V27 PolarHBondContact N-O 3.36Å; V27-Y29 HydrophobicContact CG1-CE2 4.25Å
28F96.2Very high92.9Very high30 Ų3059 Ų5913%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-114135.6-175.6-62.4-90.2000111.2I4 I6 K18 L21 D22 K26I4-F28 HydrophobicContact CB-CD1 3.84Å; I4-F28 HydrophobicContact CB-CE1 3.94Å; I4-F28 HydrophobicContact CD1-CD1 4.48Å; I4-F28 HydrophobicContact CD1-CE1 3.72Å; I4-F28 HydrophobicContact CD1-CZ 4.11Å; I4-F28 HydrophobicContact CG1-CE1 4.34Å; I4-F28 HydrophobicContact CG2-CD1 4.1Å; I4-F28 HydrophobicContact CG2-CE1 4.14Å; I4-F28 CarbonylContact O-C 3.58Å; I4-F28 VanDerWaalsContact O-CA 3.31Å; I4-F28 WeakPolarHBondContact O-CA 3.46Å; I6-F28 HydrophobicContact CD1-CD1 3.81Å; I6-F28 HydrophobicContact CD1-CE1 4.49Å; I6-F28 HydrophobicContact CG1-CD1 4.39Å; K18-F28 HydrophobicContact CD-CB 4.27Å; K18-F28 HydrophobicContact CG-CB 4.18Å; K18-F28 HydrophobicContact CG-CD1 4.49Å; K18-F28 HydrophobicContact CG-CD2 4.12Å; K18-F28 HydrophobicContact CG-CG 4.01Å; L21-F28 HydrophobicContact CB-CE1 3.67Å; L21-F28 HydrophobicContact CB-CZ 3.6Å; L21-F28 HydrophobicContact CD1-CE1 4.25Å; D22-F28 HydrophobicContact CB-CE2 4.43Å; K26-F28 HydrophobicContact CB-CE2 3.76Å; K26-F28 HydrophobicContact CB-CZ 3.93Å; K26-F28 HydrophobicContact CD-CZ 4.03Å
29Y98Very high93Very high42 Ų4261.4 Ų61.417%0.16530%0.303CS..EExtended strand (participates in β ladder)trans-111.2117.5165.1-60.9-82.1000107.2R3 I4 L5 I6 V27 I40 F44 I46R3-Y29 HydrophobicContact CB-CE2 4.09Å; R3-Y29 HydrophobicContact CG-CE2 4.09Å; I4-Y29 PolarHBondContact O-N 2.78Å; L5-Y29 CarbonylContact C-O 3.59Å; L5-Y29 WeakPolarHBondContact CA-O 3.46Å; I6-Y29 PolarHBondContact N-O 2.87Å; V27-Y29 HydrophobicContact CG1-CE2 4.25Å; Y29-I40 HydrophobicContact CD1-CD1 3.73Å; Y29-I40 HydrophobicContact CD1-CG1 4.33Å; Y29-I40 HydrophobicContact CD1-CG2 3.97Å; Y29-I40 HydrophobicContact CD2-CG2 3.93Å; Y29-I40 HydrophobicContact CE1-CD1 4.31Å; Y29-I40 HydrophobicContact CE2-CG2 4.47Å; Y29-I40 HydrophobicContact CG-CD1 4.37Å; Y29-I40 HydrophobicContact CG-CG1 4.49Å; Y29-I40 HydrophobicContact CG-CG2 3.64Å; Y29-F44 AromaticContact CE1-CD2 3.92Å; Y29-F44 HydrophobicContact CE1-CD2 3.92Å; Y29-F44 AromaticContact CE1-CE2 3.98Å; Y29-F44 HydrophobicContact CE1-CE2 3.98Å; Y29-F44 HydrophobicContact CE1-CG 4.26Å; Y29-F44 HydrophobicContact CE1-CZ 4.37Å; Y29-F44 HydrophobicContact CE2-CB 4.39Å; Y29-F44 HydrophobicContact CE2-CG 4.48Å; Y29-F44 AromaticContact CZ-CD2 3.97Å; Y29-F44 AromaticContact CZ-CG 3.83Å; Y29-F44 VanDerWaalsContact OH-CD1 3.3Å; Y29-F44 WeakPolarHBondContact OH-CD1 3.31Å; Y29-F44 WeakPolarHBondContact OH-CG 3.3Å; Y29-I46 HydrophobicContact CD2-CD1 3.63Å; Y29-I46 HydrophobicContact CE2-CD1 3.84Å
30Q98.1Very high93Very high65 Ų6555.7 Ų55.730%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-102124.2179.6-63.5176.1-80.500108.3I6 N14 D15 K18I6-Q30 HydrophobicContact CD1-CG 4.36Å; N14-Q30 PolarHBondContact O-NE2 2.98Å; N14-Q30 VanDerWaalsContact OD1-CB 3.3Å; N14-Q30 WeakPolarHBondContact OD1-CB 3.41Å; N14-Q30 WeakPolarHBondContact OD1-CG 3.38Å; N14-Q30 PolarHBondContact OD1-NE2 2.97Å; D15-Q30 PolarHBondContact OD1-NE2 3.45Å; K18-Q30 HydrophobicContact CD-CG 4.12Å
31C98.2Very high93.1Very high4 Ų456.5 Ų56.53%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-128.1144.3178.8-64.20000109.2L5 I6 L7 E8 N14 E36 A37L5-C31 HydrophobicContact CD1-CB 4.38Å; I6-C31 PolarHBondContact O-N 2.77Å; L7-C31 WeakPolarHBondContact CA-O 3.15Å; L7-C31 HydrophobicContact CD1-CB 3.89Å; E8-C31 PolarHBondContact N-O 2.99Å; E8-C31 VanDerWaalsContact O-O 3.1Å; N14-C31 PolarHBondContact ND2-O 3.4Å; C31-E36 WeakPolarHBondContact CA-OE2 3.33Å; C31-E36 HydrophobicContact CB-CB 3.9Å; C31-A37 HydrophobicContact CB-CB 4.3Å
32K98Very high93.1Very high88 Ų8862.9 Ų62.938%0.38331%0.309SS..SBendtrans-108.7-7.7175.6-57.4-174.2-173-174.40112.2T11 E36 P56T11-K32 WeakPolarHBondContact OG1-CE 3.18Å; T11-K32 PolarHBondContact OG1-NZ 3.1Å; K32-E36 PolarHBondContact N-OE2 3.46Å; K32-P56 WeakPolarHBondContact O-CD 3.37Å
33K98.2Very high93.3Very high97 Ų9763.7 Ų63.742%0.42231%0.314SS..SBendtrans-138.5146.5-175.3-63.5-172.9179.81770111.3L7 S35 E36 A37 P56 D57L7-K33 VanDerWaalsContact CD1-C 3.48Å; L7-K33 WeakPolarHBondContact CD1-O 3.27Å; K33-S35 PolarHBondContact O-N 3.29Å; K33-E36 HydrophobicContact CB-CG 4.14Å; K33-E36 PolarHBondContact N-OE2 2.85Å; K33-E36 WeakPolarHBondContact O-CB 3.49Å; K33-E36 PolarHBondContact O-N 2.85Å; K33-E36 VanDerWaalsContact O-N 3.17Å; K33-A37 PolarHBondContact O-N 3.41Å; K33-P56 HydrophobicContact CG-CG 4.03Å; K33-D57 WeakPolarHBondContact CA-OD1 3.44Å; K33-D57 WeakPolarHBondContact CB-OD2 3.39Å
34I98.5Very high93.6Very high14 Ų1463.9 Ų63.97%0.07231%0.314CS..Hα-helixtrans-56.6-42.1175.4-65.4173.8000110.2L7 E36 A37 K38 L55 D57 F63L7-I34 HydrophobicContact CD2-CG1 4.3Å; I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 3.43Å; I34-A37 WeakPolarHBondContact O-CB 3.34Å; I34-A37 PolarHBondContact O-N 3.4Å; I34-A37 VanDerWaalsContact O-N 3.17Å; I34-K38 HydrophobicContact CG2-CD 4.27Å; I34-K38 HydrophobicContact CG2-CG 4.32Å; I34-K38 WeakPolarHBondContact O-CG 3.12Å; I34-K38 PolarHBondContact O-N 3.03Å; I34-L55 HydrophobicContact CD1-CB 4.42Å; I34-L55 HydrophobicContact CD1-CD1 3.98Å; I34-L55 HydrophobicContact CG1-CB 4.27Å; I34-L55 HydrophobicContact CG1-CD1 3.45Å; I34-L55 VanDerWaalsContact CG1-CD1 3.45Å; I34-D57 WeakPolarHBondContact CB-OD1 3.18Å; I34-D57 VanDerWaalsContact N-CG 3.33Å; I34-D57 PolarHBondContact N-OD1 2.93Å; I34-D57 PolarHBondContact N-OD2 2.95Å; I34-D57 VanDerWaalsContact N-OD2 3.1Å; I34-F63 HydrophobicContact CD1-CB 4.18Å; I34-F63 HydrophobicContact CG1-CD1 4.22Å; I34-F63 HydrophobicContact CG1-CG 4.43Å; I34-F63 HydrophobicContact CG2-CB 4.29Å; I34-F63 HydrophobicContact CG2-CD1 3.94Å; I34-F63 HydrophobicContact CG2-CD2 3.71Å; I34-F63 HydrophobicContact CG2-CE1 4.11Å; I34-F63 HydrophobicContact CG2-CE2 3.94Å; I34-F63 HydrophobicContact CG2-CG 3.72Å; I34-F63 HydrophobicContact CG2-CZ 4.12Å
35S97.9Very high94.4Very high57 Ų5761 Ų6140%0.39931%0.313SS..Hα-helixtrans-55.8-41.4177.144.60000113.6K33 Q39 D57K33-S35 PolarHBondContact O-N 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.29Å; S35-Q39 PolarHBondContact O-N 3.27Å; S35-D57 WeakPolarHBondContact CB-OD2 3.26Å; S35-D57 PolarHBondContact N-OD2 3.18Å; S35-D57 PolarHBondContact OG-OD2 3.07Å
36E98.2Very high95Very high70 Ų7058.9 Ų58.933%0.32730%0.301SS..Hα-helixtrans-67.2-44.6175.4-63.6166.5-179.200111C31 K32 K33 I34 K38 Q39 I40C31-E36 WeakPolarHBondContact CA-OE2 3.33Å; C31-E36 HydrophobicContact CB-CB 3.9Å; K32-E36 PolarHBondContact N-OE2 3.46Å; K33-E36 HydrophobicContact CB-CG 4.14Å; K33-E36 PolarHBondContact N-OE2 2.85Å; K33-E36 WeakPolarHBondContact O-CB 3.49Å; K33-E36 PolarHBondContact O-N 2.85Å; K33-E36 VanDerWaalsContact O-N 3.17Å; I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 3.43Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 2.92Å; E36-Q39 WeakPolarHBondContact O-CB 3.29Å; E36-Q39 PolarHBondContact O-N 2.87Å; E36-Q39 VanDerWaalsContact O-N 3.15Å; E36-I40 PolarHBondContact O-N 3.46Å; E36-I40 VanDerWaalsContact O-N 3.1Å
37A97.9Very high95.3Very high0 Ų060.1 Ų60.10%031%0.308CS..Hα-helixtrans-61.1-38.9177.500000112.3L5 L7 C31 K33 I34 Q39 I40 L41 F63L5-A37 HydrophobicContact CD2-CB 4.1Å; L7-A37 HydrophobicContact CD1-CB 4.3Å; L7-A37 HydrophobicContact CD2-CB 3.77Å; L7-A37 HydrophobicContact CG-CB 4.46Å; C31-A37 HydrophobicContact CB-CB 4.3Å; K33-A37 PolarHBondContact O-N 3.41Å; I34-A37 WeakPolarHBondContact O-CB 3.34Å; I34-A37 PolarHBondContact O-N 3.4Å; I34-A37 VanDerWaalsContact O-N 3.17Å; A37-Q39 PolarHBondContact O-N 3.22Å; A37-I40 PolarHBondContact O-N 3.42Å; A37-L41 WeakPolarHBondContact O-CG 3.2Å; A37-L41 PolarHBondContact O-N 3.47Å; A37-F63 HydrophobicContact CB-CE1 3.86Å; A37-F63 HydrophobicContact CB-CZ 4.02Å
38K97.3Very high95.5Very high69 Ų6957.9 Ų57.930%0.330%0.295SS..Hα-helixtrans-60.5-42.9174.1-74.1-175.6-178.6-159.10112I34 E36 I40 L41 N42 F63 E66I34-K38 HydrophobicContact CG2-CD 4.27Å; I34-K38 HydrophobicContact CG2-CG 4.32Å; I34-K38 WeakPolarHBondContact O-CG 3.12Å; I34-K38 PolarHBondContact O-N 3.03Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 2.92Å; K38-I40 VanDerWaalsContact C-N 3.32Å; K38-I40 PolarHBondContact O-N 3.48Å; K38-L41 PolarHBondContact O-N 3.23Å; K38-N42 WeakPolarHBondContact O-CB 3.4Å; K38-N42 PolarHBondContact O-N 3.03Å; K38-N42 PolarHBondContact O-ND2 3.2Å; K38-F63 HydrophobicContact CD-CE2 4.28Å; K38-F63 HydrophobicContact CG-CE2 3.59Å; K38-F63 HydrophobicContact CG-CZ 3.91Å; K38-E66 VanDerWaalsContact CE-OE1 3.31Å; K38-E66 WeakPolarHBondContact CE-OE1 3.23Å; K38-E66 WeakPolarHBondContact CE-OE2 3.35Å; K38-E66 IonicContact NZ-OE1 3.82Å; K38-E66 PolarHBondContact NZ-OE1 2.93Å; K38-E66 IonicContact NZ-OE2 3.13Å; K38-E66 PolarHBondContact NZ-OE2 3.22Å
39Q96.9Very high95.6Very high127 Ų12756.5 Ų56.559%0.59329%0.289SS*.Hα-helixtrans-62.1-41.2176.2-68.6176.9-8.500111.7S35 E36 A37 N43S35-Q39 WeakPolarHBondContact O-CG 3.29Å; S35-Q39 PolarHBondContact O-N 3.27Å; E36-Q39 WeakPolarHBondContact O-CB 3.29Å; E36-Q39 PolarHBondContact O-N 2.87Å; E36-Q39 VanDerWaalsContact O-N 3.15Å; A37-Q39 PolarHBondContact O-N 3.22Å; Q39-N43 WeakPolarHBondContact O-CB 3.39Å; Q39-N43 PolarHBondContact O-N 3.21Å; Q39-N43 PolarHBondContact O-ND2 2.81Å
40I95.3Very high95.6Very high32 Ų3254.5 Ų54.516%0.16428%0.281CS..Hα-helixtrans-65.9-47.6177.4-63.4-56000111.4L5 Y29 E36 A37 K38 N42 N43 F44 I46L5-I40 HydrophobicContact CD1-CB 4.36Å; L5-I40 HydrophobicContact CD1-CG2 4.15Å; Y29-I40 HydrophobicContact CD1-CD1 3.73Å; Y29-I40 HydrophobicContact CD1-CG1 4.33Å; Y29-I40 HydrophobicContact CD1-CG2 3.97Å; Y29-I40 HydrophobicContact CD2-CG2 3.93Å; Y29-I40 HydrophobicContact CE1-CD1 4.31Å; Y29-I40 HydrophobicContact CE2-CG2 4.47Å; Y29-I40 HydrophobicContact CG-CD1 4.37Å; Y29-I40 HydrophobicContact CG-CG1 4.49Å; Y29-I40 HydrophobicContact CG-CG2 3.64Å; E36-I40 PolarHBondContact O-N 3.46Å; E36-I40 VanDerWaalsContact O-N 3.1Å; A37-I40 PolarHBondContact O-N 3.42Å; K38-I40 VanDerWaalsContact C-N 3.32Å; K38-I40 PolarHBondContact O-N 3.48Å; I40-N42 VanDerWaalsContact C-N 3.25Å; I40-N42 PolarHBondContact O-N 3.07Å; I40-N43 PolarHBondContact O-N 2.83Å; I40-N43 VanDerWaalsContact O-N 3.11Å; I40-F44 HydrophobicContact CD1-CD2 4.22Å; I40-F44 HydrophobicContact CD1-CE2 4.16Å; I40-F44 HydrophobicContact CG2-CD2 4.12Å; I40-F44 PolarHBondContact O-N 2.82Å; I40-I46 HydrophobicContact CG2-CD1 3.89Å; I40-I46 HydrophobicContact CG2-CG1 4.41Å
41L92.5Very high95.6Very high44 Ų4451.4 Ų51.423%0.2327%0.267CS..Hα-helixtrans-62.3-31.6-179.5-71.9168.7000113L5 A37 K38 I46 F63 I67L5-L41 HydrophobicContact CD2-CD1 4.34Å; L5-L41 HydrophobicContact CD2-CD2 4.08Å; L5-L41 HydrophobicContact CD2-CG 3.95Å; A37-L41 WeakPolarHBondContact O-CG 3.2Å; A37-L41 PolarHBondContact O-N 3.47Å; K38-L41 PolarHBondContact O-N 3.23Å; L41-I46 HydrophobicContact CD2-CB 4.18Å; L41-I46 HydrophobicContact CD2-CG1 3.78Å; L41-F63 HydrophobicContact CD1-CZ 3.83Å; L41-I67 HydrophobicContact CD1-CD1 4.08Å; L41-I67 HydrophobicContact CD1-CG1 4.13Å
42N92.3Very high95.6Very high136 Ų13651.5 Ų51.573%0.72727%0.267SS*.Hα-helixtrans-74.3-27.7176.4-72-16.2000113.2K38 I40K38-N42 WeakPolarHBondContact O-CB 3.4Å; K38-N42 PolarHBondContact O-N 3.03Å; K38-N42 PolarHBondContact O-ND2 3.2Å; I40-N42 VanDerWaalsContact C-N 3.25Å; I40-N42 PolarHBondContact O-N 3.07Å
43N91Very high95.6Very high120 Ų12047.4 Ų47.464%0.64225%0.249SC*.Hα-helixtrans-103.2-21.5-173.5-69.6-45.8000113.5Q39 I40Q39-N43 WeakPolarHBondContact O-CB 3.39Å; Q39-N43 PolarHBondContact O-N 3.21Å; Q39-N43 PolarHBondContact O-ND2 2.81Å; I40-N43 PolarHBondContact O-N 2.83Å; I40-N43 VanDerWaalsContact O-N 3.11Å
44F89.7Confident95.5Very high79 Ų7946.4 Ų46.435%0.34625%0.248SC..SBendtrans-138136.9-172.7-55.3-77000112Y29 I40 I46Y29-F44 AromaticContact CE1-CD2 3.92Å; Y29-F44 HydrophobicContact CE1-CD2 3.92Å; Y29-F44 AromaticContact CE1-CE2 3.98Å; Y29-F44 HydrophobicContact CE1-CE2 3.98Å; Y29-F44 HydrophobicContact CE1-CG 4.26Å; Y29-F44 HydrophobicContact CE1-CZ 4.37Å; Y29-F44 HydrophobicContact CE2-CB 4.39Å; Y29-F44 HydrophobicContact CE2-CG 4.48Å; Y29-F44 AromaticContact CZ-CD2 3.97Å; Y29-F44 AromaticContact CZ-CG 3.83Å; Y29-F44 VanDerWaalsContact OH-CD1 3.3Å; Y29-F44 WeakPolarHBondContact OH-CD1 3.31Å; Y29-F44 WeakPolarHBondContact OH-CG 3.3Å; I40-F44 HydrophobicContact CD1-CD2 4.22Å; I40-F44 HydrophobicContact CD1-CE2 4.16Å; I40-F44 HydrophobicContact CG2-CD2 4.12Å; I40-F44 PolarHBondContact O-N 2.82Å; F44-I46 HydrophobicContact CB-CD1 4.45Å; F44-I46 PolarHBondContact O-N 2.83Å
45A89.5Confident95.4Very high72 Ų7246.6 Ų46.660%0.59525%0.249SC*.  trans-68127.3165.600000110R3R3-A45 WeakPolarHBondContact CD-O 3.45Å; R3-A45 PolarHBondContact NH1-O 3.47Å
46I92.8Very high95.4Very high21 Ų2147.9 Ų47.911%0.10826%0.257CS..  trans-108.2133.9178.7-60.7-55.8000109.4R3 L5 Y29 I40 L41 F44 L48 V73R3-I46 HydrophobicContact CB-CD1 4.1Å; L5-I46 HydrophobicContact CB-CD1 4.27Å; L5-I46 HydrophobicContact CB-CG1 4.31Å; L5-I46 HydrophobicContact CB-CG2 3.87Å; Y29-I46 HydrophobicContact CD2-CD1 3.63Å; Y29-I46 HydrophobicContact CE2-CD1 3.84Å; I40-I46 HydrophobicContact CG2-CD1 3.89Å; I40-I46 HydrophobicContact CG2-CG1 4.41Å; L41-I46 HydrophobicContact CD2-CB 4.18Å; L41-I46 HydrophobicContact CD2-CG1 3.78Å; F44-I46 HydrophobicContact CB-CD1 4.45Å; F44-I46 PolarHBondContact O-N 2.83Å; I46-L48 WeakPolarHBondContact CG2-O 3.33Å; I46-V73 HydrophobicContact CB-CG2 4.26Å; I46-V73 HydrophobicContact CG2-CG2 3.98Å; I46-V73 VanDerWaalsContact O-CG2 3.28Å; I46-V73 WeakPolarHBondContact O-CG2 3.34Å
47D92.9Very high95.3Very high49 Ų4947.8 Ų47.826%0.26226%0.258SS..SBendtrans-89.1-25.7178.2-68.6-95.3000112.5K2 R3 P74 L116K2-D47 VanDerWaalsContact CA-OD2 3.29Å; K2-D47 WeakPolarHBondContact CA-OD2 3.45Å; K2-D47 HydrophobicContact CB-CB 4.48Å; K2-D47 HydrophobicContact CD-CB 3.91Å; K2-D47 VanDerWaalsContact CD-CG 3.44Å; K2-D47 WeakPolarHBondContact CD-OD1 3.42Å; K2-D47 IonicContact NZ-OD1 2.72Å; K2-D47 PolarHBondContact NZ-OD1 3.08Å; R3-D47 PolarHBondContact N-OD2 3.43Å; R3-D47 PolarHBondContact O-N 2.84Å; D47-P74 WeakPolarHBondContact O-CD 3.24Å; D47-L116 HydrophobicContact CB-CD2 3.73Å
48L96.1Very high95.3Very high0 Ų049.3 Ų49.30%027%0.274CS..EExtended strand (participates in β ladder)trans-158.2143.8176.8-179.4144.1000110.9R3 I4 L5 I46 L50 P74 I76 V112 Q115 L116R3-L48 PolarHBondContact O-N 2.98Å; I4-L48 CarbonylContact C-O 3.54Å; I4-L48 VanDerWaalsContact CA-O 3.3Å; I4-L48 WeakPolarHBondContact CA-O 3.3Å; I4-L48 HydrophobicContact CG2-CD2 3.85Å; L5-L48 PolarHBondContact N-O 3.35Å; I46-L48 WeakPolarHBondContact CG2-O 3.33Å; L48-L50 HydrophobicContact CD2-CD2 3.65Å; L48-L50 HydrophobicContact CD2-CG 3.93Å; L48-P74 WeakPolarHBondContact CA-O 3.46Å; L48-I76 HydrophobicContact CD1-CD1 4.12Å; L48-V112 HydrophobicContact CD1-CB 4.47Å; L48-V112 HydrophobicContact CD1-CG1 4.25Å; L48-V112 HydrophobicContact CD1-CG2 4.4Å; L48-V112 HydrophobicContact CD2-CG2 4.21Å; L48-Q115 HydrophobicContact CD1-CB 3.42Å; L48-Q115 VanDerWaalsContact CD1-CB 3.42Å; L48-Q115 HydrophobicContact CD1-CG 4.2Å; L48-L116 HydrophobicContact CB-CD2 3.67Å; L48-L116 HydrophobicContact CB-CG 4.2Å; L48-L116 HydrophobicContact CD1-CD2 4.32Å; L48-L116 HydrophobicContact CD1-CG 4Å
49M98Very high95.2Very high0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-122.7135.5173.2177.6-177.7178.600111.2L5 L7 L51 F63 I67 P74 I75 I76L5-M49 HydrophobicContact CB-CB 4.29Å; L5-M49 HydrophobicContact CB-CG 4.2Å; L5-M49 HydrophobicContact CD2-CE 4.23Å; L5-M49 HydrophobicContact CD2-CG 4.09Å; L5-M49 HydrophobicContact CD2-SD 3.97Å; L5-M49 HydrophobicContact CG-CG 4.15Å; L5-M49 CarbonylContact O-C 3.56Å; L5-M49 VanDerWaalsContact O-CA 3.29Å; L5-M49 WeakPolarHBondContact O-CA 3.46Å; L7-M49 HydrophobicContact CB-CE 3.82Å; L7-M49 HydrophobicContact CD2-CE 3.63Å; L7-M49 HydrophobicContact CG-CE 4.39Å; M49-L51 HydrophobicContact CE-CB 4.1Å; M49-L51 HydrophobicContact CE-CD1 3.7Å; M49-L51 HydrophobicContact CE-CG 4.38Å; M49-F63 HydrophobicContact CE-CD1 4.14Å; M49-F63 HydrophobicContact CE-CE1 3.63Å; M49-I67 HydrophobicContact CE-CD1 4.24Å; M49-I67 HydrophobicContact SD-CD1 3.77Å; M49-P74 PolarHBondContact N-O 2.88Å; M49-I75 HydrophobicContact CB-CG1 4.14Å; M49-I75 WeakPolarHBondContact O-CA 3.15Å; M49-I75 HydrophobicContact SD-CD1 4.49Å; M49-I75 HydrophobicContact SD-CG1 4.47Å; M49-I76 PolarHBondContact O-N 3.29Å
50L98.6Very high95.3Very high0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-99.5127.2165.4-56.1-178.4000107.6L5 I6 L7 I17 L21 L48 I76 I78 L108 V112L5-L50 PolarHBondContact O-N 3.31Å; I6-L50 HydrophobicContact CG1-CD1 4.28Å; L7-L50 PolarHBondContact N-O 2.85Å; I17-L50 HydrophobicContact CG2-CD1 3.45Å; I17-L50 VanDerWaalsContact CG2-CD1 3.45Å; L21-L50 HydrophobicContact CD1-CD1 4.04Å; L48-L50 HydrophobicContact CD2-CD2 3.65Å; L48-L50 HydrophobicContact CD2-CG 3.93Å; L50-I76 WeakPolarHBondContact CA-O 3.03Å; L50-I76 HydrophobicContact CD2-CB 3.73Å; L50-I76 HydrophobicContact CD2-CD1 4.01Å; L50-I76 HydrophobicContact CD2-CG1 4.22Å; L50-I76 HydrophobicContact CD2-CG2 4.3Å; L50-I78 HydrophobicContact CB-CD1 4Å; L50-I78 HydrophobicContact CB-CG1 4.38Å; L50-L108 HydrophobicContact CD1-CD1 4.25Å; L50-L108 HydrophobicContact CD1-CD2 4.08Å; L50-L108 HydrophobicContact CD2-CD1 3.93Å; L50-V112 HydrophobicContact CD2-CG2 4.04Å
51L98.6Very high95.3Very high0 Ų043.5 Ų43.50%025%0.248CC..EExtended strand (participates in β ladder)trans-128.4115.7-170172.364.4000110.8L7 M49 L55 F63 L64 I75 I76 I77 I78L7-L51 HydrophobicContact CD2-CD1 3.71Å; L7-L51 HydrophobicContact CG-CD1 4.29Å; M49-L51 HydrophobicContact CE-CB 4.1Å; M49-L51 HydrophobicContact CE-CD1 3.7Å; M49-L51 HydrophobicContact CE-CG 4.38Å; L51-L55 HydrophobicContact CD1-CD1 4.25Å; L51-F63 HydrophobicContact CD1-CD1 4.14Å; L51-L64 HydrophobicContact CD2-CB 3.91Å; L51-I75 HydrophobicContact CB-CG2 3.91Å; L51-I75 HydrophobicContact CD2-CG2 4.02Å; L51-I76 PolarHBondContact N-O 2.74Å; L51-I77 CarbonylContact O-C 3.48Å; L51-I77 WeakPolarHBondContact O-CA 3.3Å; L51-I78 PolarHBondContact O-N 2.89Å
52D98Very high95.5Very high7 Ų747.1 Ų47.14%0.03727%0.267CS..  trans-74.4145.4159.2-158.6-16000110.9L7 N54 L55 I78 K101L7-D52 PolarHBondContact O-N 3.23Å; D52-N54 PolarHBondContact OD1-N 3.08Å; D52-L55 HydrophobicContact CB-CD2 4.13Å; D52-L55 HydrophobicContact CB-CG 4.5Å; D52-L55 WeakPolarHBondContact O-CD1 3.4Å; D52-I78 WeakPolarHBondContact CA-O 3.2Å; D52-K101 IonicContact OD2-NZ 3.78Å; D52-K101 PolarHBondContact OD2-NZ 3.28Å
53L97.4Very high95.8Very high2 Ų241 Ų411%0.0123%0.233CC..SBendtrans-83.2-32.5172.2-58.9-173.1000112.4L55 H59 G60 M61 I77 T79 Y98L53-L55 PolarHBondContact O-N 3.37Å; L53-H59 WeakPolarHBondContact O-CA 3.41Å; L53-G60 PolarHBondContact O-N 3.27Å; L53-M61 HydrophobicContact CD1-CE 4.03Å; L53-M61 HydrophobicContact CD2-CB 4.42Å; L53-M61 HydrophobicContact CD2-CE 4.28Å; L53-I77 HydrophobicContact CD1-CG2 3.99Å; L53-I77 HydrophobicContact CD2-CD1 4.18Å; L53-I77 HydrophobicContact CD2-CG1 4.26Å; L53-I77 HydrophobicContact CD2-CG2 3.94Å; L53-I77 HydrophobicContact CG-CG2 3.72Å; L53-T79 HydrophobicContact CD1-CG2 3.99Å; L53-T79 HydrophobicContact CG-CG2 4.26Å; L53-Y98 HydrophobicContact CD1-CE2 4.46Å
54N96.2Very high96.1Very high75 Ų7535.2 Ų35.240%0.40120%0.203SC..EExtended strand (participates in β ladder)trans-95.593.9-177.1-63.5-45.5000109.1D52 N81D52-N54 PolarHBondContact OD1-N 3.08Å; N54-N81 PolarHBondContact ND2-OD1 3.07Å
55L97.2Very high96.5Very high18 Ų1836.9 Ų36.99%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-120150.1-177.9-62.8163.6000110.6L7 I34 L51 D52 L53 D57 G58L7-L55 HydrophobicContact CD1-CD1 4.1Å; L7-L55 HydrophobicContact CD1-CD2 3.87Å; L7-L55 HydrophobicContact CD2-CD1 3.55Å; L7-L55 HydrophobicContact CG-CD1 3.66Å; L7-L55 HydrophobicContact CG-CD2 3.9Å; L7-L55 HydrophobicContact CG-CG 4.45Å; I34-L55 HydrophobicContact CD1-CB 4.42Å; I34-L55 HydrophobicContact CD1-CD1 3.98Å; I34-L55 HydrophobicContact CG1-CB 4.27Å; I34-L55 HydrophobicContact CG1-CD1 3.45Å; I34-L55 VanDerWaalsContact CG1-CD1 3.45Å; L51-L55 HydrophobicContact CD1-CD1 4.25Å; D52-L55 HydrophobicContact CB-CD2 4.13Å; D52-L55 HydrophobicContact CB-CG 4.5Å; D52-L55 WeakPolarHBondContact O-CD1 3.4Å; L53-L55 PolarHBondContact O-N 3.37Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 3.36Å; L55-G58 CarbonylContact C-O 3.34Å; L55-G58 WeakPolarHBondContact CB-O 3.23Å; L55-G58 PolarHBondContact N-O 3.44Å; L55-G58 PolarHBondContact O-N 2.99Å
56P96.4Very high96.9Very high85 Ų8537.4 Ų37.455%0.55220%0.2SC*.THydrogen-bonded Turntrans-68.5-21.6-173.626.6-37.2000114.3D9 K32 K33D9-P56 HydrophobicContact CB-CG 4.43Å; K32-P56 WeakPolarHBondContact O-CD 3.37Å; K33-P56 HydrophobicContact CG-CG 4.03Å
57D97.6Very high97.1Very high67 Ų6736.9 Ų36.936%0.35820%0.197SC..THydrogen-bonded Turntrans-111.112.1-179.367.6-26.4000113.8K33 I34 S35 L55K33-D57 WeakPolarHBondContact CA-OD1 3.44Å; K33-D57 WeakPolarHBondContact CB-OD2 3.39Å; I34-D57 WeakPolarHBondContact CB-OD1 3.18Å; I34-D57 VanDerWaalsContact N-CG 3.33Å; I34-D57 PolarHBondContact N-OD1 2.93Å; I34-D57 PolarHBondContact N-OD2 2.95Å; I34-D57 VanDerWaalsContact N-OD2 3.1Å; S35-D57 WeakPolarHBondContact CB-OD2 3.26Å; S35-D57 PolarHBondContact N-OD2 3.18Å; S35-D57 PolarHBondContact OG-OD2 3.07Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 3.36Å
58G96.2Very high97.2Very high33 Ų3337.4 Ų37.434%0.3420%0.195SC..EExtended strand (participates in β ladder)trans156.4-178.5172.200000114L55L55-G58 CarbonylContact C-O 3.34Å; L55-G58 WeakPolarHBondContact CB-O 3.23Å; L55-G58 PolarHBondContact N-O 3.44Å; L55-G58 PolarHBondContact O-N 2.99Å
59H97.1Very high97.1Very high80 Ų8044.9 Ų44.937%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-95.2124.3-179.5-163.9-82.9000111.2L53 M61 L62 F63L53-H59 WeakPolarHBondContact O-CA 3.41Å; H59-M61 WeakPolarHBondContact ND1-CB 2.82Å; H59-M61 PolarHBondContact ND1-N 3.03Å; H59-M61 PolarHBondContact O-N 3.42Å; H59-M61 VanDerWaalsContact O-N 3.11Å; H59-L62 HydrophobicContact CB-CD1 4.5Å; H59-L62 WeakPolarHBondContact O-CB 3Å; H59-L62 PolarHBondContact O-N 2.87Å; H59-F63 PolarHBondContact O-N 3.43Å
60G97.1Very high96.8Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-59.4-27-175.700000113.8L53 L62 F63 L64L53-G60 PolarHBondContact O-N 3.27Å; G60-L62 PolarHBondContact O-N 3.45Å; G60-F63 CarbonylContact O-C 3.57Å; G60-F63 PolarHBondContact O-N 3.39Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 PolarHBondContact O-N 2.98Å
61M96.6Very high96.5Very high25 Ų2553 Ų5312%0.12328%0.282CS..Hα-helixtrans-63-38.4174.2-167.361.571.100113.1L53 H59 F63 L64 K65 I77 G90 A93L53-M61 HydrophobicContact CD1-CE 4.03Å; L53-M61 HydrophobicContact CD2-CB 4.42Å; L53-M61 HydrophobicContact CD2-CE 4.28Å; H59-M61 WeakPolarHBondContact ND1-CB 2.82Å; H59-M61 PolarHBondContact ND1-N 3.03Å; H59-M61 PolarHBondContact O-N 3.42Å; H59-M61 VanDerWaalsContact O-N 3.11Å; M61-F63 VanDerWaalsContact C-N 3.34Å; M61-L64 HydrophobicContact SD-CD2 4.07Å; M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.29Å; M61-I77 HydrophobicContact CE-CD1 4.38Å; M61-G90 VanDerWaalsContact CE-CA 3.46Å; M61-A93 HydrophobicContact SD-CB 3.63Å
62L97.1Very high96.1Very high121 Ų12162.4 Ų62.463%0.63432%0.323SS*.Hα-helixtrans-68.9-39.9175.8-66.3176.1000110H59 G60 K65 E66H59-L62 HydrophobicContact CB-CD1 4.5Å; H59-L62 WeakPolarHBondContact O-CB 3Å; H59-L62 PolarHBondContact O-N 2.87Å; G60-L62 PolarHBondContact O-N 3.45Å; L62-K65 PolarHBondContact O-N 3.29Å; L62-E66 PolarHBondContact O-N 2.86Å
63F98.1Very high95.8Very high6 Ų662.5 Ų62.53%0.02632%0.324CS..Hα-helixtrans-66.1-39.6176.9-175.1-139.3000112.7L7 I34 A37 K38 L41 M49 L51 H59 G60 M61 K65 E66 I67L7-F63 HydrophobicContact CD2-CD1 3.8Å; L7-F63 HydrophobicContact CD2-CE1 3.62Å; I34-F63 HydrophobicContact CD1-CB 4.18Å; I34-F63 HydrophobicContact CG1-CD1 4.22Å; I34-F63 HydrophobicContact CG1-CG 4.43Å; I34-F63 HydrophobicContact CG2-CB 4.29Å; I34-F63 HydrophobicContact CG2-CD1 3.94Å; I34-F63 HydrophobicContact CG2-CD2 3.71Å; I34-F63 HydrophobicContact CG2-CE1 4.11Å; I34-F63 HydrophobicContact CG2-CE2 3.94Å; I34-F63 HydrophobicContact CG2-CG 3.72Å; I34-F63 HydrophobicContact CG2-CZ 4.12Å; A37-F63 HydrophobicContact CB-CE1 3.86Å; A37-F63 HydrophobicContact CB-CZ 4.02Å; K38-F63 HydrophobicContact CD-CE2 4.28Å; K38-F63 HydrophobicContact CG-CE2 3.59Å; K38-F63 HydrophobicContact CG-CZ 3.91Å; L41-F63 HydrophobicContact CD1-CZ 3.83Å; M49-F63 HydrophobicContact CE-CD1 4.14Å; M49-F63 HydrophobicContact CE-CE1 3.63Å; L51-F63 HydrophobicContact CD1-CD1 4.14Å; H59-F63 PolarHBondContact O-N 3.43Å; G60-F63 CarbonylContact O-C 3.57Å; G60-F63 PolarHBondContact O-N 3.39Å; M61-F63 VanDerWaalsContact C-N 3.34Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.46Å; F63-E66 WeakPolarHBondContact O-CB 3.37Å; F63-E66 PolarHBondContact O-N 3.01Å; F63-I67 HydrophobicContact CD1-CD1 3.96Å; F63-I67 HydrophobicContact CD2-CD1 4.18Å; F63-I67 HydrophobicContact CD2-CG1 4.11Å; F63-I67 HydrophobicContact CE1-CD1 3.74Å; F63-I67 HydrophobicContact CE2-CD1 3.94Å; F63-I67 HydrophobicContact CE2-CG1 3.82Å; F63-I67 HydrophobicContact CG-CD1 4.18Å; F63-I67 HydrophobicContact CZ-CD1 3.73Å; F63-I67 HydrophobicContact CZ-CG1 4.06Å; F63-I67 VanDerWaalsContact O-CG1 3.31Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.01Å
64L98.1Very high95.7Very high0 Ų063.9 Ų63.90%033%0.333CS..Hα-helixtrans-55.9-48.9171.9170.459.7000111.2L51 G60 M61 E66 I67 R68 I75 I77 A93 A95L51-L64 HydrophobicContact CD2-CB 3.91Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 PolarHBondContact O-N 2.98Å; M61-L64 HydrophobicContact SD-CD2 4.07Å; L64-E66 VanDerWaalsContact C-N 3.32Å; L64-E66 PolarHBondContact O-N 3.42Å; L64-I67 PolarHBondContact O-N 3.36Å; L64-R68 HydrophobicContact CD1-CG 4.1Å; L64-R68 VanDerWaalsContact O-CG 3.32Å; L64-R68 WeakPolarHBondContact O-CG 2.99Å; L64-R68 PolarHBondContact O-N 2.99Å; L64-I75 HydrophobicContact CD1-CB 4.29Å; L64-I75 HydrophobicContact CD1-CD1 3.38Å; L64-I75 HydrophobicContact CD1-CG1 4.39Å; L64-I75 HydrophobicContact CD1-CG2 4.21Å; L64-I77 HydrophobicContact CD2-CD1 4.01Å; L64-A93 HydrophobicContact CD2-CB 3.8Å; L64-A93 HydrophobicContact CG-CB 4.33Å; L64-A95 HydrophobicContact CD2-CB 3.98Å
65K97.5Very high95.8Very high114 Ų11460.3 Ų60.350%0.49631%0.314SS..Hα-helixtrans-61.1-40.5177.5-71178.4-179-177.90111.8M61 L62 F63 R68 A93M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.29Å; L62-K65 PolarHBondContact O-N 3.29Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.46Å; K65-R68 PolarHBondContact O-N 3.48Å; K65-A93 HydrophobicContact CG-CB 4.2Å
66E97Very high95.9Very high83 Ų8359.5 Ų59.539%0.38831%0.309SS..Hα-helixtrans-60.7-49.9174.3-174.4-175.6162.700111.5K38 L62 F63 L64 R68 Q69K38-E66 VanDerWaalsContact CE-OE1 3.31Å; K38-E66 WeakPolarHBondContact CE-OE1 3.23Å; K38-E66 WeakPolarHBondContact CE-OE2 3.35Å; K38-E66 IonicContact NZ-OE1 3.82Å; K38-E66 PolarHBondContact NZ-OE1 2.93Å; K38-E66 IonicContact NZ-OE2 3.13Å; K38-E66 PolarHBondContact NZ-OE2 3.22Å; L62-E66 PolarHBondContact O-N 2.86Å; F63-E66 WeakPolarHBondContact O-CB 3.37Å; F63-E66 PolarHBondContact O-N 3.01Å; L64-E66 VanDerWaalsContact C-N 3.32Å; L64-E66 PolarHBondContact O-N 3.42Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.33Å; E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 3.31Å; E66-Q69 VanDerWaalsContact O-N 3.16Å
67I97.2Very high96Very high9 Ų955.4 Ų55.45%0.04628%0.283CS..Hα-helixtrans-57.7-40.9178.5-66.6164000110.9L41 M49 F63 L64 Q69 T70 S71 V73 I75L41-I67 HydrophobicContact CD1-CD1 4.08Å; L41-I67 HydrophobicContact CD1-CG1 4.13Å; M49-I67 HydrophobicContact CE-CD1 4.24Å; M49-I67 HydrophobicContact SD-CD1 3.77Å; F63-I67 HydrophobicContact CD1-CD1 3.96Å; F63-I67 HydrophobicContact CD2-CD1 4.18Å; F63-I67 HydrophobicContact CD2-CG1 4.11Å; F63-I67 HydrophobicContact CE1-CD1 3.74Å; F63-I67 HydrophobicContact CE2-CD1 3.94Å; F63-I67 HydrophobicContact CE2-CG1 3.82Å; F63-I67 HydrophobicContact CG-CD1 4.18Å; F63-I67 HydrophobicContact CZ-CD1 3.73Å; F63-I67 HydrophobicContact CZ-CG1 4.06Å; F63-I67 VanDerWaalsContact O-CG1 3.31Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.01Å; L64-I67 PolarHBondContact O-N 3.36Å; I67-Q69 PolarHBondContact O-N 2.9Å; I67-T70 PolarHBondContact O-N 3.37Å; I67-T70 VanDerWaalsContact O-N 3.13Å; I67-T70 PolarHBondContact O-OG1 3.41Å; I67-S71 WeakPolarHBondContact O-CB 3.26Å; I67-S71 PolarHBondContact O-N 2.96Å; I67-V73 HydrophobicContact CG2-CG1 3.98Å; I67-I75 HydrophobicContact CB-CD1 4.45Å; I67-I75 HydrophobicContact CD1-CD1 4.11Å; I67-I75 HydrophobicContact CG2-CD1 4.05Å
68R95.5Very high96Very high60 Ų6052.2 Ų52.223%0.22627%0.266CS..Hα-helixtrans-68-15-177-72.8-72.2175.5-100.12.5114.4L64 K65 E66 T70 S71 V73 G94 N96L64-R68 HydrophobicContact CD1-CG 4.1Å; L64-R68 VanDerWaalsContact O-CG 3.32Å; L64-R68 WeakPolarHBondContact O-CG 2.99Å; L64-R68 PolarHBondContact O-N 2.99Å; K65-R68 PolarHBondContact O-N 3.48Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.33Å; R68-T70 PolarHBondContact O-N 3.37Å; R68-S71 PolarHBondContact NH1-O 2.9Å; R68-V73 VanDerWaalsContact CZ-O 3.28Å; R68-V73 PolarHBondContact NH1-O 3.46Å; R68-V73 PolarHBondContact NH2-O 2.93Å; R68-G94 VanDerWaalsContact CZ-O 3.23Å; R68-G94 PolarHBondContact NE-O 3.1Å; R68-G94 PolarHBondContact NH2-O 3.43Å; R68-N96 PolarHBondContact NH2-OD1 3.08Å
69Q94.5Very high96Very high158 Ų15850.7 Ų50.774%0.73825%0.25SC*.THydrogen-bonded Turntrans-66.7-27.4172.5-64.2177.2-2.800112.2E66 I67E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 3.31Å; E66-Q69 VanDerWaalsContact O-N 3.16Å; I67-Q69 PolarHBondContact O-N 2.9Å
70T91.5Very high95.9Very high131 Ų13149.6 Ų49.680%0.80426%0.255SS*.THydrogen-bonded Turntrans-130.2-15.5-171.459.20000114I67 R68I67-T70 PolarHBondContact O-N 3.37Å; I67-T70 VanDerWaalsContact O-N 3.13Å; I67-T70 PolarHBondContact O-OG1 3.41Å; R68-T70 PolarHBondContact O-N 3.37Å
71S90.9Very high95.7Very high39 Ų3951.6 Ų51.627%0.27327%0.266SS..  trans-138.6139.9-172-178.10000113.7I67 R68 V73I67-S71 WeakPolarHBondContact O-CB 3.26Å; I67-S71 PolarHBondContact O-N 2.96Å; R68-S71 PolarHBondContact NH1-O 2.9Å; S71-V73 WeakPolarHBondContact OG-CG1 3.45Å; S71-V73 PolarHBondContact OG-N 3.45Å; S71-V73 VanDerWaalsContact OG-N 3.17Å
72K90.3Very high95.6Very high197 Ų19755.6 Ų55.686%0.85729%0.287SS*.  trans-102.116.3173-62.4-175.7179.4-179.70112.9
73V93.2Very high95.5Very high10 Ų1054.6 Ų54.66%0.06128%0.282CS..  trans-52131.9178.762.30000110.3I46 I67 R68 S71 I75I46-V73 HydrophobicContact CB-CG2 4.26Å; I46-V73 HydrophobicContact CG2-CG2 3.98Å; I46-V73 VanDerWaalsContact O-CG2 3.28Å; I46-V73 WeakPolarHBondContact O-CG2 3.34Å; I67-V73 HydrophobicContact CG2-CG1 3.98Å; R68-V73 VanDerWaalsContact CZ-O 3.28Å; R68-V73 PolarHBondContact NH1-O 3.46Å; R68-V73 PolarHBondContact NH2-O 2.93Å; S71-V73 WeakPolarHBondContact OG-CG1 3.45Å; S71-V73 PolarHBondContact OG-N 3.45Å; S71-V73 VanDerWaalsContact OG-N 3.17Å; V73-I75 HydrophobicContact CG1-CD1 4.3Å; V73-I75 HydrophobicContact CG1-CG1 4.19Å; V73-I75 PolarHBondContact O-N 3.13Å
74P94.7Very high95.3Very high31 Ų3161.5 Ų61.520%0.20131%0.314CS..  trans-55.7126.3173.7-26.733.9000111.6D47 L48 M49 N96 Q115D47-P74 WeakPolarHBondContact O-CD 3.24Å; L48-P74 WeakPolarHBondContact CA-O 3.46Å; M49-P74 PolarHBondContact N-O 2.88Å; P74-N96 VanDerWaalsContact CA-OD1 3.28Å; P74-N96 WeakPolarHBondContact CA-OD1 3.38Å; P74-Q115 HydrophobicContact CB-CB 4.2Å
75I98.1Very high95.2Very high0 Ų064.6 Ų64.60%034%0.336CS..EExtended strand (participates in β ladder)trans-121.1127.2178.2-64.4170.7000109.2M49 L51 L64 I67 V73 N96 D97M49-I75 HydrophobicContact CB-CG1 4.14Å; M49-I75 WeakPolarHBondContact O-CA 3.15Å; M49-I75 HydrophobicContact SD-CD1 4.49Å; M49-I75 HydrophobicContact SD-CG1 4.47Å; L51-I75 HydrophobicContact CB-CG2 3.91Å; L51-I75 HydrophobicContact CD2-CG2 4.02Å; L64-I75 HydrophobicContact CD1-CB 4.29Å; L64-I75 HydrophobicContact CD1-CD1 3.38Å; L64-I75 HydrophobicContact CD1-CG1 4.39Å; L64-I75 HydrophobicContact CD1-CG2 4.21Å; I67-I75 HydrophobicContact CB-CD1 4.45Å; I67-I75 HydrophobicContact CD1-CD1 4.11Å; I67-I75 HydrophobicContact CG2-CD1 4.05Å; V73-I75 HydrophobicContact CG1-CD1 4.3Å; V73-I75 HydrophobicContact CG1-CG1 4.19Å; V73-I75 PolarHBondContact O-N 3.13Å; I75-N96 PolarHBondContact N-OD1 3.15Å; I75-N96 PolarHBondContact O-N 3.44Å; I75-D97 PolarHBondContact O-N 2.91Å
76I98.4Very high95.1Very high0 Ų061 Ų610%032%0.323CS..EExtended strand (participates in β ladder)trans-106.6120.2168-55179.7000107.2L48 M49 L50 L51 I78 D97 R111 V112 Q115L48-I76 HydrophobicContact CD1-CD1 4.12Å; M49-I76 PolarHBondContact O-N 3.29Å; L50-I76 WeakPolarHBondContact CA-O 3.03Å; L50-I76 HydrophobicContact CD2-CB 3.73Å; L50-I76 HydrophobicContact CD2-CD1 4.01Å; L50-I76 HydrophobicContact CD2-CG1 4.22Å; L50-I76 HydrophobicContact CD2-CG2 4.3Å; L51-I76 PolarHBondContact N-O 2.74Å; I76-I78 HydrophobicContact CG2-CG2 4.44Å; I76-D97 WeakPolarHBondContact CA-O 3.29Å; I76-D97 HydrophobicContact CB-CB 4.41Å; I76-D97 HydrophobicContact CG1-CB 4.03Å; I76-D97 HydrophobicContact CG2-CB 4.12Å; I76-R111 HydrophobicContact CD1-CB 4.14Å; I76-V112 HydrophobicContact CD1-CG2 3.91Å; I76-Q115 HydrophobicContact CD1-CG 3.87Å; I76-Q115 HydrophobicContact CG1-CG 3.98Å
77I98.6Very high95Very high0 Ų059.6 Ų59.60%032%0.317CS..EExtended strand (participates in β ladder)trans-75.5132171.4-67.2169.1000108.7L51 L53 M61 L64 T79 A95 D97 Y98 L99L51-I77 CarbonylContact O-C 3.48Å; L51-I77 WeakPolarHBondContact O-CA 3.3Å; L53-I77 HydrophobicContact CD1-CG2 3.99Å; L53-I77 HydrophobicContact CD2-CD1 4.18Å; L53-I77 HydrophobicContact CD2-CG1 4.26Å; L53-I77 HydrophobicContact CD2-CG2 3.94Å; L53-I77 HydrophobicContact CG-CG2 3.72Å; M61-I77 HydrophobicContact CE-CD1 4.38Å; L64-I77 HydrophobicContact CD2-CD1 4.01Å; I77-T79 HydrophobicContact CG2-CG2 3.68Å; I77-A95 HydrophobicContact CD1-CB 3.55Å; I77-A95 HydrophobicContact CG1-CB 3.85Å; I77-D97 PolarHBondContact N-O 2.53Å; I77-Y98 HydrophobicContact CB-CD2 3.82Å; I77-Y98 HydrophobicContact CB-CE2 4.22Å; I77-Y98 HydrophobicContact CB-CG 4.28Å; I77-Y98 HydrophobicContact CD1-CD2 3.83Å; I77-Y98 HydrophobicContact CD1-CE2 4.11Å; I77-Y98 HydrophobicContact CG1-CD2 4.43Å; I77-Y98 HydrophobicContact CG2-CD2 3.82Å; I77-Y98 HydrophobicContact CG2-CE2 3.7Å; I77-Y98 HydrophobicContact CG2-CG 4.38Å; I77-L99 PolarHBondContact O-N 2.92Å
78I97.8Very high94.8Very high0 Ų062.8 Ų62.80%033%0.333CS..EExtended strand (participates in β ladder)trans-123.2106.7173.545.4165.7000109I17 L50 L51 D52 I76 L99 K101 F103 L108I17-I78 HydrophobicContact CD1-CD1 3.74Å; L50-I78 HydrophobicContact CB-CD1 4Å; L50-I78 HydrophobicContact CB-CG1 4.38Å; L51-I78 PolarHBondContact O-N 2.89Å; D52-I78 WeakPolarHBondContact CA-O 3.2Å; I76-I78 HydrophobicContact CG2-CG2 4.44Å; I78-L99 WeakPolarHBondContact CA-O 3.21Å; I78-L99 HydrophobicContact CG2-CB 4.21Å; I78-L99 HydrophobicContact CG2-CD2 4.36Å; I78-K101 WeakPolarHBondContact O-CE 3.33Å; I78-F103 HydrophobicContact CB-CE1 3.99Å; I78-F103 HydrophobicContact CB-CZ 4.21Å; I78-F103 HydrophobicContact CG2-CE1 3.83Å; I78-F103 HydrophobicContact CG2-CZ 3.84Å; I78-L108 HydrophobicContact CG2-CD1 4.28Å
79T96.9Very high94.8Very high0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-152.6157.7-170-172.30000112.4L53 I77 N81 Y98 L99 V100 K101L53-T79 HydrophobicContact CD1-CG2 3.99Å; L53-T79 HydrophobicContact CG-CG2 4.26Å; I77-T79 HydrophobicContact CG2-CG2 3.68Å; T79-N81 VanDerWaalsContact C-N 3.26Å; T79-N81 HydrophobicContact CG2-CB 4Å; T79-N81 PolarHBondContact OG1-N 3.48Å; T79-Y98 HydrophobicContact CG2-CE1 3.64Å; T79-Y98 HydrophobicContact CG2-CE2 4.13Å; T79-Y98 WeakPolarHBondContact CG2-OH 3.27Å; T79-L99 PolarHBondContact N-O 2.88Å; T79-L99 VanDerWaalsContact N-O 3.11Å; T79-V100 CarbonylContact O-C 3.6Å; T79-V100 VanDerWaalsContact O-CA 3.26Å; T79-V100 WeakPolarHBondContact O-CA 3.49Å; T79-K101 PolarHBondContact O-N 3.34Å
80A95.6Very high94.8Very high58 Ų5856.8 Ų56.848%0.47931%0.31SS..SBendtrans-75.8-14.2173.600000113.1D82 K101A80-D82 PolarHBondContact O-N 3.28Å; A80-K101 HydrophobicContact CB-CB 4.48Å
81N93.2Very high95Very high42 Ų4254.3 Ų54.323%0.22529%0.292CS..  trans-69.8115-179.6-61.817.1000110.3N54 T79 D86 Y98N54-N81 PolarHBondContact ND2-OD1 3.07Å; T79-N81 VanDerWaalsContact C-N 3.26Å; T79-N81 HydrophobicContact CG2-CB 4Å; T79-N81 PolarHBondContact OG1-N 3.48Å; N81-D86 HydrophobicContact CB-CB 4.41Å; N81-Y98 WeakPolarHBondContact CB-OH 3.37Å; N81-Y98 WeakPolarHBondContact O-CE1 3.4Å; N81-Y98 PolarHBondContact O-OH 2.88Å
82D93.1Very high95.1Very high109 Ų10959.5 Ų59.558%0.58331%0.312SS*.  trans-113.82.4-171.669.5-17.8000114.2A80 E84 V100A80-D82 PolarHBondContact O-N 3.28Å; D82-E84 PolarHBondContact O-N 3.19Å; D82-V100 HydrophobicContact CB-CG1 3.59Å; D82-V100 HydrophobicContact CB-CG2 4.16Å
83L95.1Very high95.3Very high99 Ų9950.9 Ų50.952%0.51828%0.277SS..  trans-65.1134.2176.8-61179.8000110.7S85 D86 I87L83-S85 PolarHBondContact O-N 3Å; L83-D86 HydrophobicContact CB-CB 4.34Å; L83-D86 WeakPolarHBondContact O-CB 3.41Å; L83-D86 PolarHBondContact O-N 2.61Å; L83-I87 PolarHBondContact O-N 2.68Å; L83-I87 VanDerWaalsContact O-N 3.14Å
84E95Very high95.4Very high151 Ų15151.7 Ų51.771%0.70629%0.287SS*.Hα-helixtrans-54.4-38.8177-175.4179.3173.100111.9D82 D86 I87 I88D82-E84 PolarHBondContact O-N 3.19Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.92Å; E84-I87 PolarHBondContact O-N 3.23Å; E84-I88 HydrophobicContact CG-CD1 3.97Å; E84-I88 VanDerWaalsContact O-CG1 3.3Å; E84-I88 WeakPolarHBondContact O-CG1 3.29Å; E84-I88 PolarHBondContact O-N 3.23Å
85S95.8Very high95.5Very high65 Ų6550.6 Ų50.646%0.45528%0.281SS..Hα-helixtrans-59.5-39.9175.254.40000112.9L83 I88 L89L83-S85 PolarHBondContact O-N 3Å; S85-I88 PolarHBondContact O-N 3.13Å; S85-L89 WeakPolarHBondContact O-CB 3.13Å; S85-L89 WeakPolarHBondContact O-CG 3.33Å; S85-L89 PolarHBondContact O-N 3.26Å
86D94.8Very high95.4Very high40 Ų4054 Ų5421%0.21430%0.299CS..Hα-helixtrans-72-37.9-179-68.8-16.1000111.3N81 L83 E84 L89 G90N81-D86 HydrophobicContact CB-CB 4.41Å; L83-D86 HydrophobicContact CB-CB 4.34Å; L83-D86 WeakPolarHBondContact O-CB 3.41Å; L83-D86 PolarHBondContact O-N 2.61Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.92Å; D86-L89 PolarHBondContact O-N 2.88Å; D86-G90 PolarHBondContact O-N 2.98Å
87I94.2Very high95.3Very high53 Ų5355.1 Ų55.127%0.27231%0.305SS..Hα-helixtrans-60.2-50.7173.7-61.6172.4000109.8L83 E84 G90 L91 Y98 V100L83-I87 PolarHBondContact O-N 2.68Å; L83-I87 VanDerWaalsContact O-N 3.14Å; E84-I87 PolarHBondContact O-N 3.23Å; I87-G90 PolarHBondContact O-N 2.85Å; I87-L91 HydrophobicContact CG2-CD1 4.15Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.22Å; I87-L91 VanDerWaalsContact O-N 3.08Å; I87-Y98 HydrophobicContact CB-CD1 4.47Å; I87-Y98 HydrophobicContact CB-CG 4.44Å; I87-Y98 HydrophobicContact CG1-CD1 3.75Å; I87-Y98 HydrophobicContact CG1-CE1 3.65Å; I87-Y98 HydrophobicContact CG1-CE2 4.44Å; I87-Y98 HydrophobicContact CG1-CG 4.2Å; I87-Y98 HydrophobicContact CG2-CD1 4.48Å; I87-Y98 HydrophobicContact CG2-CG 4.22Å; I87-V100 HydrophobicContact CD1-CG2 4.46Å
88I94.1Very high95.2Very high75 Ų7555.9 Ų55.939%0.38531%0.308SS..Hα-helixtrans-58.7-51178.4-68.4166.8000110E84 S85 G90 L91 E92E84-I88 HydrophobicContact CG-CD1 3.97Å; E84-I88 VanDerWaalsContact O-CG1 3.3Å; E84-I88 WeakPolarHBondContact O-CG1 3.29Å; E84-I88 PolarHBondContact O-N 3.23Å; S85-I88 PolarHBondContact O-N 3.13Å; I88-G90 VanDerWaalsContact C-N 3.3Å; I88-G90 PolarHBondContact O-N 3.26Å; I88-L91 PolarHBondContact O-N 2.95Å; I88-E92 HydrophobicContact CG2-CG 4.18Å; I88-E92 WeakPolarHBondContact O-CB 3.49Å; I88-E92 WeakPolarHBondContact O-CG 3.46Å; I88-E92 PolarHBondContact O-N 2.99Å
89L95.5Very high95.2Very high93 Ų9356.4 Ų56.449%0.48731%0.311SS..Hα-helixtrans-58.9-39.6-179.9-75170.9000112.6S85 D86 A93S85-L89 WeakPolarHBondContact O-CB 3.13Å; S85-L89 WeakPolarHBondContact O-CG 3.33Å; S85-L89 PolarHBondContact O-N 3.26Å; D86-L89 PolarHBondContact O-N 2.88Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.81Å
90G95Very high95.2Very high0 Ų058.8 Ų58.80%033%0.325CS..Hα-helixtrans-64.9-42.9176.900000113.3M61 D86 I87 I88 A93 G94 A95M61-G90 VanDerWaalsContact CE-CA 3.46Å; D86-G90 PolarHBondContact O-N 2.98Å; I87-G90 PolarHBondContact O-N 2.85Å; I88-G90 VanDerWaalsContact C-N 3.3Å; I88-G90 PolarHBondContact O-N 3.26Å; G90-A93 PolarHBondContact O-N 3.25Å; G90-G94 PolarHBondContact O-N 3.27Å; G90-A95 WeakPolarHBondContact O-CB 2.85Å; G90-A95 PolarHBondContact O-N 3.17Å
91L94.6Very high95.3Very high79 Ų7958 Ų5841%0.41431%0.311SS..Hα-helixtrans-68-43.6176.8-65174.8000111.5I87 I88 A93 G94I87-L91 HydrophobicContact CG2-CD1 4.15Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.22Å; I87-L91 VanDerWaalsContact O-N 3.08Å; I88-L91 PolarHBondContact O-N 2.95Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.26Å; L91-G94 WeakPolarHBondContact O-CA 3.09Å; L91-G94 PolarHBondContact O-N 3Å
92E94.2Very high95.4Very high148 Ų14862.6 Ų62.669%0.69234%0.343SS*.Hα-helixtrans-65.1-32.7175.9-71.8-175.4161.400112.8I88 G94I88-E92 HydrophobicContact CG2-CG 4.18Å; I88-E92 WeakPolarHBondContact O-CB 3.49Å; I88-E92 WeakPolarHBondContact O-CG 3.46Å; I88-E92 PolarHBondContact O-N 2.99Å; E92-G94 PolarHBondContact O-N 3.21Å
93A94.5Very high95.4Very high16 Ų1659.2 Ų59.213%0.13232%0.323CS..THydrogen-bonded Turntrans-69.1-6.7171.600000113.2M61 L64 K65 L89 G90 L91M61-A93 HydrophobicContact SD-CB 3.63Å; L64-A93 HydrophobicContact CD2-CB 3.8Å; L64-A93 HydrophobicContact CG-CB 4.33Å; K65-A93 HydrophobicContact CG-CB 4.2Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.81Å; G90-A93 PolarHBondContact O-N 3.25Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.26Å
94G93.6Very high95.4Very high26 Ų2657.2 Ų57.227%0.26832%0.318SS..THydrogen-bonded Turntrans104.212.917300000114.7R68 G90 L91 E92R68-G94 VanDerWaalsContact CZ-O 3.23Å; R68-G94 PolarHBondContact NE-O 3.1Å; R68-G94 PolarHBondContact NH2-O 3.43Å; G90-G94 PolarHBondContact O-N 3.27Å; L91-G94 WeakPolarHBondContact O-CA 3.09Å; L91-G94 PolarHBondContact O-N 3Å; E92-G94 PolarHBondContact O-N 3.21Å
95A97Very high95.3Very high9 Ų952.8 Ų52.87%0.07430%0.298CS..  trans-63.5145.3166.600000110.3L64 I77 G90L64-A95 HydrophobicContact CD2-CB 3.98Å; I77-A95 HydrophobicContact CD1-CB 3.55Å; I77-A95 HydrophobicContact CG1-CB 3.85Å; G90-A95 WeakPolarHBondContact O-CB 2.85Å; G90-A95 PolarHBondContact O-N 3.17Å
96N96.1Very high94.9Very high70 Ų7055.8 Ų55.837%0.37431%0.307SS..SBendtrans-89.1-19.9179.8-62.580.7000112.4R68 P74 I75 Q115R68-N96 PolarHBondContact NH2-OD1 3.08Å; P74-N96 VanDerWaalsContact CA-OD1 3.28Å; P74-N96 WeakPolarHBondContact CA-OD1 3.38Å; I75-N96 PolarHBondContact N-OD1 3.15Å; I75-N96 PolarHBondContact O-N 3.44Å; N96-Q115 PolarHBondContact O-NE2 3.49Å
97D96.5Very high94.7Very high25 Ų2557.8 Ų57.813%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-159.8162.2177.1-155.9-7.2000109.9I75 I76 I77 R111I75-D97 PolarHBondContact O-N 2.91Å; I76-D97 WeakPolarHBondContact CA-O 3.29Å; I76-D97 HydrophobicContact CB-CB 4.41Å; I76-D97 HydrophobicContact CG1-CB 4.03Å; I76-D97 HydrophobicContact CG2-CB 4.12Å; I77-D97 PolarHBondContact N-O 2.53Å; D97-R111 IonicContact OD1-CZ 2.75Å; D97-R111 IonicContact OD1-NH1 2.68Å; D97-R111 PolarHBondContact OD1-NH1 3.39Å; D97-R111 WeakPolarHBondContact OD2-CB 3.44Å; D97-R111 WeakPolarHBondContact OD2-CD 3.45Å; D97-R111 VanDerWaalsContact OD2-CG 3.28Å; D97-R111 WeakPolarHBondContact OD2-CG 3.33Å; D97-R111 IonicContact OD2-CZ 2.74Å; D97-R111 IonicContact OD2-NE 3.65Å; D97-R111 IonicContact OD2-NH1 3.65Å; D97-R111 PolarHBondContact OD2-NH1 3.35Å
98Y97.5Very high94.7Very high15 Ų1555.3 Ų55.36%0.05930%0.304CS..EExtended strand (participates in β ladder)trans-138.6128.7-179.4-164.7-71.2000109.4L53 I77 T79 N81 I87 V100L53-Y98 HydrophobicContact CD1-CE2 4.46Å; I77-Y98 HydrophobicContact CB-CD2 3.82Å; I77-Y98 HydrophobicContact CB-CE2 4.22Å; I77-Y98 HydrophobicContact CB-CG 4.28Å; I77-Y98 HydrophobicContact CD1-CD2 3.83Å; I77-Y98 HydrophobicContact CD1-CE2 4.11Å; I77-Y98 HydrophobicContact CG1-CD2 4.43Å; I77-Y98 HydrophobicContact CG2-CD2 3.82Å; I77-Y98 HydrophobicContact CG2-CE2 3.7Å; I77-Y98 HydrophobicContact CG2-CG 4.38Å; T79-Y98 HydrophobicContact CG2-CE1 3.64Å; T79-Y98 HydrophobicContact CG2-CE2 4.13Å; T79-Y98 WeakPolarHBondContact CG2-OH 3.27Å; N81-Y98 WeakPolarHBondContact CB-OH 3.37Å; N81-Y98 WeakPolarHBondContact O-CE1 3.4Å; N81-Y98 PolarHBondContact O-OH 2.88Å; I87-Y98 HydrophobicContact CB-CD1 4.47Å; I87-Y98 HydrophobicContact CB-CG 4.44Å; I87-Y98 HydrophobicContact CG1-CD1 3.75Å; I87-Y98 HydrophobicContact CG1-CE1 3.65Å; I87-Y98 HydrophobicContact CG1-CE2 4.44Å; I87-Y98 HydrophobicContact CG1-CG 4.2Å; I87-Y98 HydrophobicContact CG2-CD1 4.48Å; I87-Y98 HydrophobicContact CG2-CG 4.22Å; Y98-V100 HydrophobicContact CD1-CG2 4.15Å; Y98-V100 HydrophobicContact CE1-CG2 3.82Å
99L97.1Very high94.6Very high12 Ų1257.1 Ų57.16%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-131.6114.8-177.1-171.764.2000110.9I77 I78 T79 F103 I107 L108I77-L99 PolarHBondContact O-N 2.92Å; I78-L99 WeakPolarHBondContact CA-O 3.21Å; I78-L99 HydrophobicContact CG2-CB 4.21Å; I78-L99 HydrophobicContact CG2-CD2 4.36Å; T79-L99 PolarHBondContact N-O 2.88Å; T79-L99 VanDerWaalsContact N-O 3.11Å; L99-F103 HydrophobicContact CD1-CB 3.98Å; L99-F103 HydrophobicContact CD1-CG 4.37Å; L99-F103 HydrophobicContact CD2-CB 3.9Å; L99-F103 HydrophobicContact CD2-CD1 3.66Å; L99-F103 HydrophobicContact CD2-CD2 3.61Å; L99-F103 HydrophobicContact CD2-CE1 4.03Å; L99-F103 HydrophobicContact CD2-CE2 4.02Å; L99-F103 HydrophobicContact CD2-CG 3.44Å; L99-F103 VanDerWaalsContact CD2-CG 3.44Å; L99-F103 HydrophobicContact CD2-CZ 4.21Å; L99-F103 HydrophobicContact CG-CB 3.83Å; L99-F103 HydrophobicContact CG-CD1 3.58Å; L99-F103 HydrophobicContact CG-CD2 4.36Å; L99-F103 HydrophobicContact CG-CE1 4.2Å; L99-F103 HydrophobicContact CG-CG 3.67Å; L99-I107 HydrophobicContact CD1-CG2 3.94Å; L99-L108 HydrophobicContact CD2-CB 3.97Å; L99-L108 HydrophobicContact CD2-CD1 3.94Å
100V97Very high94.1Very high49 Ų4955.4 Ų55.430%0.29731%0.305SS..EExtended strand (participates in β ladder)trans-77.8132.7-179.7177.40000110.9T79 D82 I87 Y98 P102 F103T79-V100 CarbonylContact O-C 3.6Å; T79-V100 VanDerWaalsContact O-CA 3.26Å; T79-V100 WeakPolarHBondContact O-CA 3.49Å; D82-V100 HydrophobicContact CB-CG1 3.59Å; D82-V100 HydrophobicContact CB-CG2 4.16Å; I87-V100 HydrophobicContact CD1-CG2 4.46Å; Y98-V100 HydrophobicContact CD1-CG2 4.15Å; Y98-V100 HydrophobicContact CE1-CG2 3.82Å; V100-P102 CarbonylContact O-C 3.44Å; V100-F103 WeakPolarHBondContact O-CD1 3.27Å
101K96.7Very high94Very high42 Ų4259.5 Ų59.518%0.18332%0.321CS..SBendtrans-79.5139.6171.2-63.2173.9-174.9-177.80109.7E8 L13 D52 I78 T79 A80 F103E8-K101 IonicContact OE1-NZ 2.64Å; E8-K101 PolarHBondContact OE1-NZ 3.12Å; E8-K101 WeakPolarHBondContact OE2-CE 3.48Å; E8-K101 IonicContact OE2-NZ 2.82Å; E8-K101 PolarHBondContact OE2-NZ 3.01Å; L13-K101 HydrophobicContact CD2-CD 4.04Å; D52-K101 IonicContact OD2-NZ 3.78Å; D52-K101 PolarHBondContact OD2-NZ 3.28Å; I78-K101 WeakPolarHBondContact O-CE 3.33Å; T79-K101 PolarHBondContact O-N 3.34Å; A80-K101 HydrophobicContact CB-CB 4.48Å; K101-F103 HydrophobicContact CB-CD1 4.47Å; K101-F103 HydrophobicContact CG-CD1 3.97Å; K101-F103 HydrophobicContact CG-CE1 3.6Å
102P95.7Very high94Very high139 Ų13955.8 Ų55.890%0.90330%0.301SS*.SBendcis-79.8142.2-1.732.4-34.4000112.5V100V100-P102 CarbonylContact O-C 3.44Å
103F94.2Very high93.7Very high37 Ų3751.5 Ų51.516%0.16229%0.291CS..  trans-130157.6177.253.8-103.8000112.1L13 I17 I78 L99 V100 K101 L105 L108L13-F103 HydrophobicContact CD1-CZ 4.37Å; I17-F103 HydrophobicContact CD1-CZ 4.44Å; I78-F103 HydrophobicContact CB-CE1 3.99Å; I78-F103 HydrophobicContact CB-CZ 4.21Å; I78-F103 HydrophobicContact CG2-CE1 3.83Å; I78-F103 HydrophobicContact CG2-CZ 3.84Å; L99-F103 HydrophobicContact CD1-CB 3.98Å; L99-F103 HydrophobicContact CD1-CG 4.37Å; L99-F103 HydrophobicContact CD2-CB 3.9Å; L99-F103 HydrophobicContact CD2-CD1 3.66Å; L99-F103 HydrophobicContact CD2-CD2 3.61Å; L99-F103 HydrophobicContact CD2-CE1 4.03Å; L99-F103 HydrophobicContact CD2-CE2 4.02Å; L99-F103 HydrophobicContact CD2-CG 3.44Å; L99-F103 VanDerWaalsContact CD2-CG 3.44Å; L99-F103 HydrophobicContact CD2-CZ 4.21Å; L99-F103 HydrophobicContact CG-CB 3.83Å; L99-F103 HydrophobicContact CG-CD1 3.58Å; L99-F103 HydrophobicContact CG-CD2 4.36Å; L99-F103 HydrophobicContact CG-CE1 4.2Å; L99-F103 HydrophobicContact CG-CG 3.67Å; V100-F103 WeakPolarHBondContact O-CD1 3.27Å; K101-F103 HydrophobicContact CB-CD1 4.47Å; K101-F103 HydrophobicContact CG-CD1 3.97Å; K101-F103 HydrophobicContact CG-CE1 3.6Å; F103-L105 HydrophobicContact CE2-CD2 4.48Å; F103-L108 HydrophobicContact CD2-CB 4.24Å; F103-L108 HydrophobicContact CE2-CB 4.11Å; F103-L108 HydrophobicContact CE2-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CG 4.5Å; F103-L108 HydrophobicContact CZ-CD2 4.39Å
104S93.5Very high93.2Very high57 Ų5754.5 Ų54.540%0.39931%0.308SS..  trans-73.7133.1170.1176.40000110.9M106 I107 L108S104-M106 PolarHBondContact O-N 3.03Å; S104-M106 VanDerWaalsContact O-N 3.14Å; S104-M106 PolarHBondContact OG-N 3.11Å; S104-I107 WeakPolarHBondContact O-CB 3.49Å; S104-I107 PolarHBondContact O-N 3.05Å; S104-L108 PolarHBondContact O-N 2.85Å; S104-L108 VanDerWaalsContact O-N 3.12Å
105L93.7Very high93Very high58 Ų5855.3 Ų55.330%0.30430%0.304SS..Hα-helixtrans-57.6-25.8171.1-67.3172.5000112.4I17 A20 F103 L108 R109I17-L105 HydrophobicContact CG1-CD2 3.96Å; A20-L105 HydrophobicContact CB-CB 3.77Å; A20-L105 HydrophobicContact CB-CD1 3.89Å; A20-L105 HydrophobicContact CB-CD2 4.23Å; A20-L105 HydrophobicContact CB-CG 4.17Å; F103-L105 HydrophobicContact CE2-CD2 4.48Å; L105-L108 HydrophobicContact CD2-CD2 4.5Å; L105-L108 PolarHBondContact O-N 3.44Å; L105-R109 WeakPolarHBondContact O-CB 3.49Å; L105-R109 PolarHBondContact O-N 3.43Å
106M87.5Confident92.6Very high128 Ų12856 Ų5663%0.63131%0.307SS*.Hα-helixtrans-69.8-36.4174-63.2-62.514400112.3S104 R109 A110S104-M106 PolarHBondContact O-N 3.03Å; S104-M106 VanDerWaalsContact O-N 3.14Å; S104-M106 PolarHBondContact OG-N 3.11Å; M106-R109 PolarHBondContact O-N 2.8Å; M106-A110 PolarHBondContact O-N 2.76Å; M106-A110 VanDerWaalsContact O-N 3.07Å
107I90.9Very high91.8Very high83 Ų8360.1 Ų60.143%0.42632%0.317SS..Hα-helixtrans-66.9-46.6174-66.7171.9000109.6L99 S104 R109 A110 R111L99-I107 HydrophobicContact CD1-CG2 3.94Å; S104-I107 WeakPolarHBondContact O-CB 3.49Å; S104-I107 PolarHBondContact O-N 3.05Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.39Å; I107-A110 WeakPolarHBondContact O-CB 3.44Å; I107-A110 PolarHBondContact O-N 2.89Å; I107-A110 VanDerWaalsContact O-N 3.14Å; I107-R111 HydrophobicContact CG2-CG 4.5Å; I107-R111 WeakPolarHBondContact O-CG 3.38Å; I107-R111 PolarHBondContact O-N 2.83Å
108L94.7Very high90.2Very high1 Ų164.7 Ų64.71%0.00534%0.337CS..Hα-helixtrans-57.2-4617617862.5000111.2I17 L50 I78 L99 F103 S104 L105 A110 R111 V112I17-L108 HydrophobicContact CB-CD2 4.29Å; I17-L108 HydrophobicContact CD1-CD2 4.03Å; I17-L108 HydrophobicContact CG1-CD2 3.68Å; I17-L108 HydrophobicContact CG2-CD2 3.79Å; L50-L108 HydrophobicContact CD1-CD1 4.25Å; L50-L108 HydrophobicContact CD1-CD2 4.08Å; L50-L108 HydrophobicContact CD2-CD1 3.93Å; I78-L108 HydrophobicContact CG2-CD1 4.28Å; L99-L108 HydrophobicContact CD2-CB 3.97Å; L99-L108 HydrophobicContact CD2-CD1 3.94Å; F103-L108 HydrophobicContact CD2-CB 4.24Å; F103-L108 HydrophobicContact CE2-CB 4.11Å; F103-L108 HydrophobicContact CE2-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CG 4.5Å; F103-L108 HydrophobicContact CZ-CD2 4.39Å; S104-L108 PolarHBondContact O-N 2.85Å; S104-L108 VanDerWaalsContact O-N 3.12Å; L105-L108 HydrophobicContact CD2-CD2 4.5Å; L105-L108 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.43Å; L108-R111 PolarHBondContact O-N 2.71Å; L108-V112 HydrophobicContact CD1-CG2 4.03Å; L108-V112 HydrophobicContact CG-CG2 4.28Å; L108-V112 WeakPolarHBondContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.21Å; L108-V112 PolarHBondContact O-N 2.61Å
109R91.3Very high88.3Confident113 Ų11371.8 Ų71.843%0.42638%0.375SS..Hα-helixtrans-56.9-42.6176178.9177.3157.7165.6-6.1112.5L21 L105 M106 I107 A113L21-R109 HydrophobicContact CD2-CB 3.81Å; L21-R109 HydrophobicContact CD2-CG 4.16Å; L105-R109 WeakPolarHBondContact O-CB 3.49Å; L105-R109 PolarHBondContact O-N 3.43Å; M106-R109 PolarHBondContact O-N 2.8Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.39Å; R109-A113 WeakPolarHBondContact O-CB 3.28Å; R109-A113 PolarHBondContact O-N 2.85Å
110A85.6Confident86.3Confident56 Ų5676.8 Ų76.846%0.46341%0.406SS..Hα-helixtrans-64.3-44.5176.700000111.9M106 I107 L108 A113 V114M106-A110 PolarHBondContact O-N 2.76Å; M106-A110 VanDerWaalsContact O-N 3.07Å; I107-A110 WeakPolarHBondContact O-CB 3.44Å; I107-A110 PolarHBondContact O-N 2.89Å; I107-A110 VanDerWaalsContact O-N 3.14Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.43Å; A110-A113 PolarHBondContact O-N 3.15Å; A110-V114 WeakPolarHBondContact O-CG2 3.1Å; A110-V114 PolarHBondContact O-N 3.13Å
111R93.1Very high84.8Confident87 Ų8776.3 Ų76.333%0.32840%0.404SS..Hα-helixtrans-64.3-44.6177.8-69.2179.5177.2-82.311.7112.2I76 D97 I107 L108 A113 V114 Q115I76-R111 HydrophobicContact CD1-CB 4.14Å; D97-R111 IonicContact OD1-CZ 2.75Å; D97-R111 IonicContact OD1-NH1 2.68Å; D97-R111 PolarHBondContact OD1-NH1 3.39Å; D97-R111 WeakPolarHBondContact OD2-CB 3.44Å; D97-R111 WeakPolarHBondContact OD2-CD 3.45Å; D97-R111 VanDerWaalsContact OD2-CG 3.28Å; D97-R111 WeakPolarHBondContact OD2-CG 3.33Å; D97-R111 IonicContact OD2-CZ 2.74Å; D97-R111 IonicContact OD2-NE 3.65Å; D97-R111 IonicContact OD2-NH1 3.65Å; D97-R111 PolarHBondContact OD2-NH1 3.35Å; I107-R111 HydrophobicContact CG2-CG 4.5Å; I107-R111 WeakPolarHBondContact O-CG 3.38Å; I107-R111 PolarHBondContact O-N 2.83Å; L108-R111 PolarHBondContact O-N 2.71Å; R111-A113 VanDerWaalsContact C-N 3.32Å; R111-A113 PolarHBondContact O-N 3.45Å; R111-V114 WeakPolarHBondContact O-CB 3.25Å; R111-V114 PolarHBondContact O-N 3.04Å; R111-V114 VanDerWaalsContact O-N 3.14Å; R111-Q115 WeakPolarHBondContact O-CG 2.94Å; R111-Q115 PolarHBondContact O-N 2.84Å
112V93.6Very high83.7Confident1 Ų178.2 Ų78.21%0.00641%0.413CS..Hα-helixtrans-58.3-43.4173167.30000111.3I4 L21 L48 L50 I76 L108 V114 Q115 L116I4-V112 HydrophobicContact CD1-CG1 4.2Å; L21-V112 HydrophobicContact CD1-CG1 4.46Å; L21-V112 HydrophobicContact CD1-CG2 4.01Å; L21-V112 HydrophobicContact CD2-CB 4.25Å; L21-V112 HydrophobicContact CD2-CG1 4.32Å; L21-V112 HydrophobicContact CD2-CG2 4.26Å; L48-V112 HydrophobicContact CD1-CB 4.47Å; L48-V112 HydrophobicContact CD1-CG1 4.25Å; L48-V112 HydrophobicContact CD1-CG2 4.4Å; L48-V112 HydrophobicContact CD2-CG2 4.21Å; L50-V112 HydrophobicContact CD2-CG2 4.04Å; I76-V112 HydrophobicContact CD1-CG2 3.91Å; L108-V112 HydrophobicContact CD1-CG2 4.03Å; L108-V112 HydrophobicContact CG-CG2 4.28Å; L108-V112 WeakPolarHBondContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.21Å; L108-V112 PolarHBondContact O-N 2.61Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 3.04Å; V112-Q115 PolarHBondContact O-N 2.83Å; V112-L116 HydrophobicContact CG1-CD1 3.69Å; V112-L116 HydrophobicContact CG1-CG 4.32Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CG 3.43Å; V112-L116 PolarHBondContact O-N 3.17Å
113A87.2Confident83.1Confident58 Ų5877.2 Ų77.248%0.47939%0.392SS..Hα-helixtrans-64.9-32.4177.700000113R109 A110 R111 R117R109-A113 WeakPolarHBondContact O-CB 3.28Å; R109-A113 PolarHBondContact O-N 2.85Å; A110-A113 PolarHBondContact O-N 3.15Å; R111-A113 VanDerWaalsContact C-N 3.32Å; R111-A113 PolarHBondContact O-N 3.45Å; A113-R117 PolarHBondContact O-N 3.34Å
114V85.3Confident82.9Confident79 Ų7980.6 Ų80.648%0.47941%0.406SS..Hα-helixtrans-66.7-46.7173.21710000110.7A110 R111 V112 R117A110-V114 WeakPolarHBondContact O-CG2 3.1Å; A110-V114 PolarHBondContact O-N 3.13Å; R111-V114 WeakPolarHBondContact O-CB 3.25Å; R111-V114 PolarHBondContact O-N 3.04Å; R111-V114 VanDerWaalsContact O-N 3.14Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 3.04Å; V114-R117 VanDerWaalsContact O-CB 3.24Å; V114-R117 WeakPolarHBondContact O-CB 3.37Å; V114-R117 PolarHBondContact O-N 3.26Å
115Q89.2Confident82.7Confident42 Ų4278.1 Ų78.120%0.19639%0.388CS..Hα-helixtrans-70.7-34.6-177.9-64.3-58.2-23.900113.4L48 P74 I76 N96 R111 V112 R117L48-Q115 HydrophobicContact CD1-CB 3.42Å; L48-Q115 VanDerWaalsContact CD1-CB 3.42Å; L48-Q115 HydrophobicContact CD1-CG 4.2Å; P74-Q115 HydrophobicContact CB-CB 4.2Å; I76-Q115 HydrophobicContact CD1-CG 3.87Å; I76-Q115 HydrophobicContact CG1-CG 3.98Å; N96-Q115 PolarHBondContact O-NE2 3.49Å; R111-Q115 WeakPolarHBondContact O-CG 2.94Å; R111-Q115 PolarHBondContact O-N 2.84Å; V112-Q115 PolarHBondContact O-N 2.83Å; Q115-R117 VanDerWaalsContact C-N 3.29Å
116L87.7Confident82.4Confident24 Ų2476.6 Ų76.613%0.12638%0.381CS..THydrogen-bonded Turntrans-81.9-5.5176.8-70.9177000113.8K2 I4 D47 L48 V112 Q118K2-L116 HydrophobicContact CB-CD1 4.47Å; K2-L116 HydrophobicContact CD-CD2 4.27Å; I4-L116 HydrophobicContact CD1-CD1 3.86Å; I4-L116 HydrophobicContact CG1-CD1 4.32Å; D47-L116 HydrophobicContact CB-CD2 3.73Å; L48-L116 HydrophobicContact CB-CD2 3.67Å; L48-L116 HydrophobicContact CB-CG 4.2Å; L48-L116 HydrophobicContact CD1-CD2 4.32Å; L48-L116 HydrophobicContact CD1-CG 4Å; V112-L116 HydrophobicContact CG1-CD1 3.69Å; V112-L116 HydrophobicContact CG1-CG 4.32Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CG 3.43Å; V112-L116 PolarHBondContact O-N 3.17Å; L116-Q118 PolarHBondContact O-N 2.85Å; L116-Q118 VanDerWaalsContact O-N 3.15Å
117R79.1Confident82.4Confident157 Ų15770.9 Ų70.959%0.59235%0.353SS*.SBendtrans-59.1121.9175.8-168.5178.1-61.1164.83.2108A113 V114 Q115 I119A113-R117 PolarHBondContact O-N 3.34Å; V114-R117 VanDerWaalsContact O-CB 3.24Å; V114-R117 WeakPolarHBondContact O-CB 3.37Å; V114-R117 PolarHBondContact O-N 3.26Å; Q115-R117 VanDerWaalsContact C-N 3.29Å; R117-I119 PolarHBondContact O-N 3.05Å
118Q63.6Low82.2Confident120 Ų12070.3 Ų70.356%0.56135%0.351SS*.  trans-60.8111.9179.9-66.2179.24300109L116L116-Q118 PolarHBondContact O-N 2.85Å; L116-Q118 VanDerWaalsContact O-N 3.15Å
119I57Low81.8Confident165 Ų16573.8 Ų73.885%0.84637%0.367SS*.SBendtrans-73.2-36.3171.3-59.1174.5000109.2R117 P121R117-I119 PolarHBondContact O-N 3.05Å; I119-P121 WeakPolarHBondContact O-CD 2.99Å; I119-P121 VanDerWaalsContact O-N 3.15Å
120T56.3Low81.9Confident117 Ų11768.4 Ų68.472%0.71835%0.347SS*.SBendtrans-73.5104.1170.3-53.10000107.3Q122T120-Q122 PolarHBondContact O-N 3.47Å
121P64.4Low82.2Confident39 Ų3966.9 Ų66.925%0.25333%0.332SS..  trans-63135.6-17829.8-36.6000109.2I119 R123 Y157 N161I119-P121 WeakPolarHBondContact O-CD 2.99Å; I119-P121 VanDerWaalsContact O-N 3.15Å; P121-R123 PolarHBondContact O-N 3.41Å; P121-Y157 HydrophobicContact CB-CE1 4.14Å; P121-Y157 HydrophobicContact CB-CE2 4.49Å; P121-Y157 WeakPolarHBondContact CB-OH 3.49Å; P121-Y157 HydrophobicContact CG-CE1 4.43Å; P121-Y157 WeakPolarHBondContact CG-OH 3.45Å; P121-N161 WeakPolarHBondContact CA-OD1 3.19Å; P121-N161 WeakPolarHBondContact CB-OD1 3.34Å
122Q75Confident82.2Confident81 Ų8162.8 Ų62.838%0.37932%0.316SS..  trans-60.4129.3175.4178.4171.412.600107.9T120 K124 F125 N161T120-Q122 PolarHBondContact O-N 3.47Å; Q122-K124 VanDerWaalsContact CD-O 3.28Å; Q122-K124 WeakPolarHBondContact CG-O 3.17Å; Q122-K124 PolarHBondContact NE2-O 3.16Å; Q122-F125 HydrophobicContact CB-CE1 3.8Å; Q122-F125 HydrophobicContact CB-CE2 4.32Å; Q122-F125 HydrophobicContact CB-CZ 3.61Å; Q122-F125 HydrophobicContact CG-CD1 4.16Å; Q122-F125 HydrophobicContact CG-CE1 3.78Å; Q122-F125 HydrophobicContact CG-CE2 4.25Å; Q122-F125 HydrophobicContact CG-CZ 3.84Å; Q122-F125 WeakPolarHBondContact O-CE2 3.5Å; Q122-F125 WeakPolarHBondContact O-CZ 3.24Å; Q122-N161 PolarHBondContact N-OD1 2.97Å
123R83.5Confident82.1Confident119 Ų11963.8 Ų63.845%0.44932%0.322SS..  trans-96.1-18.2179.2-64.7-64.2-174.3168-0.8112.8P121 F134 E135 Y157P121-R123 PolarHBondContact O-N 3.41Å; R123-F134 WeakPolarHBondContact O-CB 3.28Å; R123-F134 WeakPolarHBondContact O-CD2 3.43Å; R123-F134 PolarHBondContact O-N 3.03Å; R123-E135 HydrophobicContact CB-CB 4.13Å; R123-Y157 PolarHBondContact NE-OH 3.13Å; R123-Y157 PolarHBondContact NH1-OH 3.21Å
124K88.5Confident82.2Confident108 Ų10861.5 Ų61.547%0.4730%0.301SS..EExtended strand (participates in β ladder)trans-124.8121.9-177.8-54-166.4-173.8-147.90111.2Q122 F132 D133Q122-K124 VanDerWaalsContact CD-O 3.28Å; Q122-K124 WeakPolarHBondContact CG-O 3.17Å; Q122-K124 PolarHBondContact NE2-O 3.16Å; K124-F132 CarbonylContact C-O 3.54Å; K124-F132 VanDerWaalsContact CA-O 3.3Å; K124-F132 WeakPolarHBondContact CA-O 3.48Å; K124-D133 VanDerWaalsContact CD-OD2 3.27Å; K124-D133 WeakPolarHBondContact CD-OD2 3.33Å; K124-D133 WeakPolarHBondContact CE-OD2 3.49Å; K124-D133 HydrophobicContact CG-CB 4.41Å; K124-D133 IonicContact NZ-OD1 3.91Å; K124-D133 IonicContact NZ-OD2 2.7Å; K124-D133 PolarHBondContact NZ-OD2 3.28Å
125F88.9Confident82.3Confident4 Ų464.5 Ų64.52%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-122.4132.4179.3-57.9-92.9000109.7Q122 V131 F132 F134 L160Q122-F125 HydrophobicContact CB-CE1 3.8Å; Q122-F125 HydrophobicContact CB-CE2 4.32Å; Q122-F125 HydrophobicContact CB-CZ 3.61Å; Q122-F125 HydrophobicContact CG-CD1 4.16Å; Q122-F125 HydrophobicContact CG-CE1 3.78Å; Q122-F125 HydrophobicContact CG-CE2 4.25Å; Q122-F125 HydrophobicContact CG-CZ 3.84Å; Q122-F125 WeakPolarHBondContact O-CE2 3.5Å; Q122-F125 WeakPolarHBondContact O-CZ 3.24Å; F125-V131 CarbonylContact O-C 3.58Å; F125-V131 WeakPolarHBondContact O-CA 3.29Å; F125-F132 HydrophobicContact CB-CB 4.38Å; F125-F132 HydrophobicContact CB-CD2 4.41Å; F125-F132 PolarHBondContact N-O 3.16Å; F125-F132 PolarHBondContact O-N 3.06Å; F125-F134 AromaticContact CD2-CD2 3.96Å; F125-F134 HydrophobicContact CD2-CD2 3.96Å; F125-F134 AromaticContact CD2-CE2 3.78Å; F125-F134 HydrophobicContact CD2-CE2 3.78Å; F125-F134 AromaticContact CE2-CD2 3.93Å; F125-F134 HydrophobicContact CE2-CD2 3.93Å; F125-F134 AromaticContact CE2-CE2 3.88Å; F125-F134 HydrophobicContact CE2-CE2 3.88Å; F125-L160 HydrophobicContact CB-CD1 4.26Å; F125-L160 HydrophobicContact CD1-CB 3.95Å; F125-L160 HydrophobicContact CD1-CD1 4.44Å; F125-L160 HydrophobicContact CD1-CD2 4.26Å; F125-L160 HydrophobicContact CD1-CG 4.46Å; F125-L160 HydrophobicContact CD2-CB 4.19Å; F125-L160 HydrophobicContact CD2-CD1 3.76Å; F125-L160 HydrophobicContact CE1-CB 3.69Å; F125-L160 WeakPolarHBondContact CE1-O 3.38Å; F125-L160 HydrophobicContact CE2-CB 3.93Å; F125-L160 HydrophobicContact CE2-CD1 4.16Å; F125-L160 HydrophobicContact CG-CB 4.2Å; F125-L160 HydrophobicContact CG-CD1 3.9Å; F125-L160 HydrophobicContact CG-CD2 4.35Å; F125-L160 HydrophobicContact CG-CG 4.4Å; F125-L160 HydrophobicContact CZ-CB 3.66Å
126V87.6Confident82.3Confident26 Ų2665.2 Ų65.216%0.15832%0.323CS..EExtended strand (participates in β ladder)trans-124.2110.7172.11780000106.3L130 V131 F228 V235 I236V126-L130 CarbonylContact C-O 3.51Å; V126-L130 WeakPolarHBondContact CA-O 3.38Å; V126-V131 HydrophobicContact CG1-CG2 4.5Å; V126-V131 HydrophobicContact CG2-CG1 4.32Å; V126-F228 WeakPolarHBondContact O-CE1 3.33Å; V126-F228 WeakPolarHBondContact O-CZ 3.48Å; V126-V235 HydrophobicContact CG1-CG1 4.07Å; V126-I236 HydrophobicContact CG2-CG1 4.47Å
127I87.1Confident82.5Confident9 Ų969.3 Ų69.35%0.04634%0.343CS..EExtended strand (participates in β ladder)trans-133.2113.1-175-54.9174.9000108.5H129 L130 L160 Y209 W220 I223 F228I127-H129 PolarHBondContact O-N 3.41Å; I127-L130 PolarHBondContact N-O 2.8Å; I127-L130 WeakPolarHBondContact O-CA 3.3Å; I127-L130 VanDerWaalsContact O-CB 3.24Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.21Å; I127-L160 HydrophobicContact CD1-CD2 3.47Å; I127-L160 VanDerWaalsContact CD1-CD2 3.47Å; I127-Y209 HydrophobicContact CG2-CD1 4.43Å; I127-Y209 HydrophobicContact CG2-CE1 4.12Å; I127-W220 HydrophobicContact CD1-CZ2 3.74Å; I127-I223 HydrophobicContact CG2-CD1 4.25Å; I127-F228 HydrophobicContact CG1-CZ 4.36Å
128D86.8Confident83.2Confident71 Ų7163.6 Ų63.638%0.3833%0.325SS..THydrogen-bonded Turntrans52.9-107.6-172.8-61.6-41.8000112.2K208 Y209 I223D128-K208 IonicContact OD1-NZ 2.61Å; D128-K208 VanDerWaalsContact OD2-CE 3.29Å; D128-K208 WeakPolarHBondContact OD2-CE 3.37Å; D128-K208 IonicContact OD2-NZ 3.76Å; D128-K208 PolarHBondContact OD2-NZ 3.02Å; D128-Y209 WeakPolarHBondContact OD2-CE1 3.32Å; D128-Y209 PolarHBondContact OD2-OH 3.43Å; D128-I223 WeakPolarHBondContact OD2-CD1 3.33Å
129H87.8Confident84.7Confident73 Ų7358.1 Ų58.134%0.33830%0.3SS..THydrogen-bonded Turntrans-105.67.3177.656.6-92.8000112.5I127 S142 Y209I127-H129 PolarHBondContact O-N 3.41Å; H129-S142 PolarHBondContact CD2-OG 2.81Å; H129-S142 PolarHBondContact O-N 3.1Å; H129-Y209 PolarHBondContact CE1-OH 3.37Å
130L92.3Very high86.4Confident0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-97.9131.9-179.9-54.1176.2000109.9V126 I127 F132 Y140 V141 I200 Y209 W220V126-L130 CarbonylContact C-O 3.51Å; V126-L130 WeakPolarHBondContact CA-O 3.38Å; I127-L130 PolarHBondContact N-O 2.8Å; I127-L130 WeakPolarHBondContact O-CA 3.3Å; I127-L130 VanDerWaalsContact O-CB 3.24Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.21Å; L130-F132 HydrophobicContact CB-CE1 4.38Å; L130-F132 HydrophobicContact CB-CE2 3.76Å; L130-F132 HydrophobicContact CB-CZ 3.7Å; L130-F132 HydrophobicContact CD1-CE2 4.03Å; L130-F132 HydrophobicContact CD1-CZ 3.95Å; L130-F132 HydrophobicContact CD2-CZ 4.12Å; L130-F132 HydrophobicContact CG-CE2 4.43Å; L130-F132 HydrophobicContact CG-CZ 4.15Å; L130-Y140 WeakPolarHBondContact CA-O 3.1Å; L130-V141 HydrophobicContact CD2-CB 4.2Å; L130-V141 HydrophobicContact CD2-CG1 3.94Å; L130-V141 HydrophobicContact CD2-CG2 3.77Å; L130-I200 HydrophobicContact CD2-CB 4.22Å; L130-Y209 HydrophobicContact CD1-CD1 4.19Å; L130-Y209 HydrophobicContact CD1-CD2 3.95Å; L130-Y209 HydrophobicContact CD1-CE1 3.95Å; L130-Y209 HydrophobicContact CD1-CE2 3.69Å; L130-Y209 HydrophobicContact CD1-CG 4.18Å; L130-Y209 HydrophobicContact CG-CE2 4.45Å; L130-W220 HydrophobicContact CD1-CH2 3.99Å; L130-W220 HydrophobicContact CD1-CZ2 4.11Å
131V91.6Very high88.1Confident25 Ų2547.5 Ų47.515%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-129.3122.9173.8-177.20000108F125 V126 F139 Y140 L239F125-V131 CarbonylContact O-C 3.58Å; F125-V131 WeakPolarHBondContact O-CA 3.29Å; V126-V131 HydrophobicContact CG1-CG2 4.5Å; V126-V131 HydrophobicContact CG2-CG1 4.32Å; V131-F139 CarbonylContact O-C 3.59Å; V131-F139 WeakPolarHBondContact O-CA 3.34Å; V131-Y140 HydrophobicContact CB-CD2 4.2Å; V131-Y140 HydrophobicContact CG1-CD2 4.4Å; V131-Y140 PolarHBondContact N-O 3.25Å; V131-Y140 PolarHBondContact O-N 3.3Å; V131-L239 HydrophobicContact CB-CD1 4.33Å; V131-L239 HydrophobicContact CG1-CD1 4.04Å; V131-L239 HydrophobicContact CG2-CD1 3.46Å; V131-L239 VanDerWaalsContact CG2-CD1 3.46Å
132F93.8Very high89.4Confident0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-128.1108-179.4-52.8-52.7000109.7K124 F125 L130 F134 F139 L156 L160 I200 W220K124-F132 CarbonylContact C-O 3.54Å; K124-F132 VanDerWaalsContact CA-O 3.3Å; K124-F132 WeakPolarHBondContact CA-O 3.48Å; F125-F132 HydrophobicContact CB-CB 4.38Å; F125-F132 HydrophobicContact CB-CD2 4.41Å; F125-F132 PolarHBondContact N-O 3.16Å; F125-F132 PolarHBondContact O-N 3.06Å; L130-F132 HydrophobicContact CB-CE1 4.38Å; L130-F132 HydrophobicContact CB-CE2 3.76Å; L130-F132 HydrophobicContact CB-CZ 3.7Å; L130-F132 HydrophobicContact CD1-CE2 4.03Å; L130-F132 HydrophobicContact CD1-CZ 3.95Å; L130-F132 HydrophobicContact CD2-CZ 4.12Å; L130-F132 HydrophobicContact CG-CE2 4.43Å; L130-F132 HydrophobicContact CG-CZ 4.15Å; F132-F134 HydrophobicContact CB-CD2 4.34Å; F132-F134 HydrophobicContact CB-CE2 3.75Å; F132-F134 HydrophobicContact CB-CZ 4.37Å; F132-F139 HydrophobicContact CB-CD1 4.01Å; F132-F139 HydrophobicContact CD1-CB 4.02Å; F132-F139 AromaticContact CD1-CD1 3.83Å; F132-F139 HydrophobicContact CD1-CD1 3.83Å; F132-F139 HydrophobicContact CD1-CG 4.39Å; F132-F139 HydrophobicContact CG-CD1 4.35Å; F132-L156 HydrophobicContact CD1-CD2 3.91Å; F132-L156 HydrophobicContact CD2-CD2 4.05Å; F132-L156 HydrophobicContact CE1-CD2 3.9Å; F132-L156 HydrophobicContact CE2-CD1 4.14Å; F132-L156 HydrophobicContact CE2-CD2 4.04Å; F132-L156 HydrophobicContact CG-CD2 3.96Å; F132-L156 HydrophobicContact CZ-CD1 4.45Å; F132-L156 HydrophobicContact CZ-CD2 3.94Å; F132-L160 HydrophobicContact CB-CD1 4.36Å; F132-L160 HydrophobicContact CD2-CD1 3.53Å; F132-L160 HydrophobicContact CE2-CD1 4.18Å; F132-L160 HydrophobicContact CG-CD1 4.27Å; F132-I200 HydrophobicContact CE1-CG2 4.31Å; F132-I200 HydrophobicContact CZ-CG2 3.92Å; F132-W220 HydrophobicContact CE2-CH2 4.1Å
133D91.1Very high89.9Confident23 Ų2352.3 Ų52.312%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-107.398.1175.1-167.6-25.5000109.3K124 E135 A136 M137 V138K124-D133 VanDerWaalsContact CD-OD2 3.27Å; K124-D133 WeakPolarHBondContact CD-OD2 3.33Å; K124-D133 WeakPolarHBondContact CE-OD2 3.49Å; K124-D133 HydrophobicContact CG-CB 4.41Å; K124-D133 IonicContact NZ-OD1 3.91Å; K124-D133 IonicContact NZ-OD2 2.7Å; K124-D133 PolarHBondContact NZ-OD2 3.28Å; D133-E135 PolarHBondContact O-N 2.93Å; D133-E135 WeakPolarHBondContact OD1-CA 3.37Å; D133-E135 WeakPolarHBondContact OD1-CB 3.21Å; D133-E135 PolarHBondContact OD1-N 3.15Å; D133-A136 HydrophobicContact CB-CB 4.17Å; D133-A136 PolarHBondContact OD1-N 3.32Å; D133-M137 CarbonylContact O-C 3.57Å; D133-M137 WeakPolarHBondContact O-CA 3.36Å; D133-M137 PolarHBondContact O-N 2.83Å; D133-V138 PolarHBondContact N-O 3.11Å; D133-V138 PolarHBondContact O-N 3.31Å
134F90.5Very high90.4Very high10 Ų1050.3 Ų50.34%0.04427%0.27CS..THydrogen-bonded Turntrans-78.5-5.4178.2-68-87.7000113.6R123 F125 F132 M137 F139 Q153 L156 Y157 L160R123-F134 WeakPolarHBondContact O-CB 3.28Å; R123-F134 WeakPolarHBondContact O-CD2 3.43Å; R123-F134 PolarHBondContact O-N 3.03Å; F125-F134 AromaticContact CD2-CD2 3.96Å; F125-F134 HydrophobicContact CD2-CD2 3.96Å; F125-F134 AromaticContact CD2-CE2 3.78Å; F125-F134 HydrophobicContact CD2-CE2 3.78Å; F125-F134 AromaticContact CE2-CD2 3.93Å; F125-F134 HydrophobicContact CE2-CD2 3.93Å; F125-F134 AromaticContact CE2-CE2 3.88Å; F125-F134 HydrophobicContact CE2-CE2 3.88Å; F132-F134 HydrophobicContact CB-CD2 4.34Å; F132-F134 HydrophobicContact CB-CE2 3.75Å; F132-F134 HydrophobicContact CB-CZ 4.37Å; F134-M137 WeakPolarHBondContact O-CE 3.22Å; F134-F139 AromaticContact CD1-CE1 3.9Å; F134-F139 HydrophobicContact CD1-CE1 3.9Å; F134-F139 HydrophobicContact CD1-CZ 4.23Å; F134-F139 AromaticContact CE1-CE1 3.78Å; F134-F139 HydrophobicContact CE1-CE1 3.78Å; F134-F139 HydrophobicContact CE1-CZ 4.3Å; F134-F139 HydrophobicContact CE2-CE1 4.47Å; F134-F139 HydrophobicContact CG-CE1 4.3Å; F134-F139 HydrophobicContact CZ-CE1 4.1Å; F134-Q153 HydrophobicContact CE1-CB 4.36Å; F134-Q153 WeakPolarHBondContact CE1-O 3.2Å; F134-L156 HydrophobicContact CZ-CB 4.32Å; F134-L156 HydrophobicContact CZ-CD2 4.03Å; F134-L156 HydrophobicContact CZ-CG 4.02Å; F134-Y157 HydrophobicContact CB-CD2 4.17Å; F134-Y157 HydrophobicContact CB-CE2 4.18Å; F134-Y157 AromaticContact CD1-CD2 3.7Å; F134-Y157 HydrophobicContact CD1-CD2 3.7Å; F134-Y157 HydrophobicContact CD1-CG 4.3Å; F134-Y157 AromaticContact CD2-CD2 3.71Å; F134-Y157 HydrophobicContact CD2-CD2 3.71Å; F134-Y157 HydrophobicContact CD2-CE2 4.26Å; F134-Y157 AromaticContact CE1-CD2 3.94Å; F134-Y157 HydrophobicContact CE1-CD2 3.94Å; F134-Y157 HydrophobicContact CE1-CG 4.26Å; F134-Y157 AromaticContact CE2-CD2 3.93Å; F134-Y157 HydrophobicContact CE2-CD2 3.93Å; F134-Y157 AromaticContact CG-CD2 3.57Å; F134-Y157 HydrophobicContact CG-CD2 3.57Å; F134-Y157 HydrophobicContact CG-CE2 4.07Å; F134-Y157 HydrophobicContact CZ-CD2 4.03Å; F134-Y157 HydrophobicContact CZ-CG 4.48Å; F134-L160 HydrophobicContact CE2-CD1 3.82Å; F134-L160 HydrophobicContact CZ-CD1 4.13Å
135E86.4Confident90.6Very high141 Ų14150.6 Ų50.666%0.65928%0.275SS*.THydrogen-bonded Turntrans-90.5-47.6173-176.7168.7-14500110R123 D133 M137R123-E135 HydrophobicContact CB-CB 4.13Å; D133-E135 PolarHBondContact O-N 2.93Å; D133-E135 WeakPolarHBondContact OD1-CA 3.37Å; D133-E135 WeakPolarHBondContact OD1-CB 3.21Å; D133-E135 PolarHBondContact OD1-N 3.15Å; E135-M137 VanDerWaalsContact C-N 3.3Å
136A89.3Confident91Very high57 Ų5751.9 Ų51.947%0.47128%0.282SS..THydrogen-bonded Turntrans-78.4-13.5173.700000113.4D133 V138D133-A136 HydrophobicContact CB-CB 4.17Å; D133-A136 PolarHBondContact OD1-N 3.32Å; A136-V138 VanDerWaalsContact C-N 3.33Å; A136-V138 HydrophobicContact CB-CB 4.49Å; A136-V138 HydrophobicContact CB-CG2 3.87Å; A136-V138 WeakPolarHBondContact O-CG2 3.45Å
137M91.5Very high91.3Very high110 Ų11058.8 Ų58.854%0.54231%0.313SS..THydrogen-bonded Turntrans58.840.3-172.2-60.5-67.1-177.200113.4D133 F134 E135 F139D133-M137 CarbonylContact O-C 3.57Å; D133-M137 WeakPolarHBondContact O-CA 3.36Å; D133-M137 PolarHBondContact O-N 2.83Å; F134-M137 WeakPolarHBondContact O-CE 3.22Å; E135-M137 VanDerWaalsContact C-N 3.3Å; M137-F139 HydrophobicContact SD-CZ 4.46Å
138V94Very high91.7Very high37 Ų3759 Ų5922%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-119.7131.8-178.3-169.50000109.9D133 A136 Y140 L145D133-V138 PolarHBondContact N-O 3.11Å; D133-V138 PolarHBondContact O-N 3.31Å; A136-V138 VanDerWaalsContact C-N 3.33Å; A136-V138 HydrophobicContact CB-CB 4.49Å; A136-V138 HydrophobicContact CB-CG2 3.87Å; A136-V138 WeakPolarHBondContact O-CG2 3.45Å; V138-Y140 HydrophobicContact CB-CE2 4.34Å; V138-Y140 HydrophobicContact CG1-CD2 4Å; V138-Y140 HydrophobicContact CG1-CE2 3.2Å; V138-L145 HydrophobicContact CG1-CD1 3.39Å
139F94.5Very high92.1Very high5 Ų558 Ų582%0.02231%0.312CS..EExtended strand (participates in β ladder)trans-133.8122.8-173.2-48.6-76.4000110.3V131 F132 F134 M137 I146 L148 Q153V131-F139 CarbonylContact O-C 3.59Å; V131-F139 WeakPolarHBondContact O-CA 3.34Å; F132-F139 HydrophobicContact CB-CD1 4.01Å; F132-F139 HydrophobicContact CD1-CB 4.02Å; F132-F139 AromaticContact CD1-CD1 3.83Å; F132-F139 HydrophobicContact CD1-CD1 3.83Å; F132-F139 HydrophobicContact CD1-CG 4.39Å; F132-F139 HydrophobicContact CG-CD1 4.35Å; F134-F139 AromaticContact CD1-CE1 3.9Å; F134-F139 HydrophobicContact CD1-CE1 3.9Å; F134-F139 HydrophobicContact CD1-CZ 4.23Å; F134-F139 AromaticContact CE1-CE1 3.78Å; F134-F139 HydrophobicContact CE1-CE1 3.78Å; F134-F139 HydrophobicContact CE1-CZ 4.3Å; F134-F139 HydrophobicContact CE2-CE1 4.47Å; F134-F139 HydrophobicContact CG-CE1 4.3Å; F134-F139 HydrophobicContact CZ-CE1 4.1Å; M137-F139 HydrophobicContact SD-CZ 4.46Å; F139-I146 HydrophobicContact CB-CD1 4.41Å; F139-I146 HydrophobicContact CB-CG1 3.82Å; F139-I146 WeakPolarHBondContact O-CG1 3.48Å; F139-I146 PolarHBondContact O-N 3.33Å; F139-L148 HydrophobicContact CB-CD1 4.22Å; F139-L148 HydrophobicContact CB-CG 4.47Å; F139-L148 HydrophobicContact CD1-CD1 3.84Å; F139-L148 HydrophobicContact CD2-CB 4.24Å; F139-L148 HydrophobicContact CD2-CD1 4.02Å; F139-L148 HydrophobicContact CD2-CG 4.11Å; F139-L148 HydrophobicContact CE1-CD1 4.22Å; F139-L148 HydrophobicContact CE2-CB 4.33Å; F139-L148 HydrophobicContact CE2-CD1 4.38Å; F139-L148 HydrophobicContact CG-CD1 3.74Å; F139-L148 HydrophobicContact CG-CG 4.19Å; F139-L148 HydrophobicContact CZ-CD1 4.48Å; F139-Q153 HydrophobicContact CE2-CG 3.94Å; F139-Q153 HydrophobicContact CZ-CG 3.75Å
140Y93Very high92.3Very high38 Ų3862.3 Ų62.315%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-118.2146179.6-61.1-92000112.4L130 V131 V138 S144 L145L130-Y140 WeakPolarHBondContact CA-O 3.1Å; V131-Y140 HydrophobicContact CB-CD2 4.2Å; V131-Y140 HydrophobicContact CG1-CD2 4.4Å; V131-Y140 PolarHBondContact N-O 3.25Å; V131-Y140 PolarHBondContact O-N 3.3Å; V138-Y140 HydrophobicContact CB-CE2 4.34Å; V138-Y140 HydrophobicContact CG1-CD2 4Å; V138-Y140 HydrophobicContact CG1-CE2 3.2Å; Y140-S144 CarbonylContact C-O 3.54Å; Y140-S144 VanDerWaalsContact CA-O 3.27Å; Y140-S144 WeakPolarHBondContact CA-O 3.33Å; Y140-L145 HydrophobicContact CD1-CB 4.28Å; Y140-L145 HydrophobicContact CD1-CD1 4.44Å; Y140-L145 HydrophobicContact CE1-CB 4.07Å; Y140-L145 HydrophobicContact CE1-CD1 4.07Å; Y140-L145 HydrophobicContact CE2-CD1 4.48Å
141V93Very high92.3Very high22 Ų2264.1 Ų64.113%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-129114.9168.2-178.90000107.4L130 E143 S144 I146L130-V141 HydrophobicContact CD2-CB 4.2Å; L130-V141 HydrophobicContact CD2-CG1 3.94Å; L130-V141 HydrophobicContact CD2-CG2 3.77Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 2.73Å; V141-S144 PolarHBondContact N-O 3.37Å; V141-S144 WeakPolarHBondContact O-CB 3.3Å; V141-S144 PolarHBondContact O-N 2.83Å; V141-I146 HydrophobicContact CB-CG2 4.19Å; V141-I146 HydrophobicContact CG2-CD1 3.62Å; V141-I146 HydrophobicContact CG2-CG1 4.05Å; V141-I146 HydrophobicContact CG2-CG2 3.86Å
142S90.4Very high92.5Very high70 Ų7063.2 Ų63.249%0.4934%0.335SS..THydrogen-bonded Turntrans49.952.1-177.9-57.90000111.6H129 S144H129-S142 PolarHBondContact CD2-OG 2.81Å; H129-S142 PolarHBondContact O-N 3.1Å; S142-S144 PolarHBondContact O-N 3.46Å
143E86.9Confident92.5Very high150 Ų15065.2 Ų65.270%0.70135%0.345SS*.THydrogen-bonded Turntrans66.7-3.5179.5-56.8165.3-162.800115.3V141V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 2.73Å
144S92.4Very high92.6Very high78 Ų7869.3 Ų69.355%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-91.2128.7175.1-600000110.9Y140 V141 S142Y140-S144 CarbonylContact C-O 3.54Å; Y140-S144 VanDerWaalsContact CA-O 3.27Å; Y140-S144 WeakPolarHBondContact CA-O 3.33Å; V141-S144 PolarHBondContact N-O 3.37Å; V141-S144 WeakPolarHBondContact O-CB 3.3Å; V141-S144 PolarHBondContact O-N 2.83Å; S142-S144 PolarHBondContact O-N 3.46Å
145L94.8Very high92.9Very high113 Ų11368.9 Ų68.959%0.59236%0.357SS*.EExtended strand (participates in β ladder)trans-66.1132.4174.5-174.170.7000110V138 Y140V138-L145 HydrophobicContact CG1-CD1 3.39Å; Y140-L145 HydrophobicContact CD1-CB 4.28Å; Y140-L145 HydrophobicContact CD1-CD1 4.44Å; Y140-L145 HydrophobicContact CE1-CB 4.07Å; Y140-L145 HydrophobicContact CE1-CD1 4.07Å; Y140-L145 HydrophobicContact CE2-CD1 4.48Å
146I95.3Very high93.3Very high32 Ų3262.1 Ų62.116%0.16433%0.325CS..  trans-120148.2175.464.3156.9000111.2F139 V141 L148 K199 I200F139-I146 HydrophobicContact CB-CD1 4.41Å; F139-I146 HydrophobicContact CB-CG1 3.82Å; F139-I146 WeakPolarHBondContact O-CG1 3.48Å; F139-I146 PolarHBondContact O-N 3.33Å; V141-I146 HydrophobicContact CB-CG2 4.19Å; V141-I146 HydrophobicContact CG2-CD1 3.62Å; V141-I146 HydrophobicContact CG2-CG1 4.05Å; V141-I146 HydrophobicContact CG2-CG2 3.86Å; I146-L148 HydrophobicContact CD1-CD2 3.88Å; I146-L148 HydrophobicContact CD1-CG 4.21Å; I146-K199 HydrophobicContact CD1-CB 4.36Å; I146-I200 HydrophobicContact CD1-CG2 4.39Å
147E95.2Very high93.5Very high170 Ų17061.2 Ų61.279%0.79431%0.31SS*.  trans-95.5127.4173.7-66.9-174.4170.400111.5K199E147-K199 WeakPolarHBondContact O-CD 3.42Å; E147-K199 PolarHBondContact O-NZ 3.48Å
148L96.2Very high93.5Very high13 Ų1357.2 Ų57.27%0.06829%0.291CS..  trans-112.3133172.4-62.2-177.9000109.9F139 I146 E152 Q153 L156 L196 K199F139-L148 HydrophobicContact CB-CD1 4.22Å; F139-L148 HydrophobicContact CB-CG 4.47Å; F139-L148 HydrophobicContact CD1-CD1 3.84Å; F139-L148 HydrophobicContact CD2-CB 4.24Å; F139-L148 HydrophobicContact CD2-CD1 4.02Å; F139-L148 HydrophobicContact CD2-CG 4.11Å; F139-L148 HydrophobicContact CE1-CD1 4.22Å; F139-L148 HydrophobicContact CE2-CB 4.33Å; F139-L148 HydrophobicContact CE2-CD1 4.38Å; F139-L148 HydrophobicContact CG-CD1 3.74Å; F139-L148 HydrophobicContact CG-CG 4.19Å; F139-L148 HydrophobicContact CZ-CD1 4.48Å; I146-L148 HydrophobicContact CD1-CD2 3.88Å; I146-L148 HydrophobicContact CD1-CG 4.21Å; L148-E152 HydrophobicContact CB-CB 4.25Å; L148-E152 HydrophobicContact CD2-CB 4.3Å; L148-Q153 HydrophobicContact CB-CG 3.55Å; L148-Q153 HydrophobicContact CD1-CG 4.39Å; L148-Q153 PolarHBondContact O-NE2 3.06Å; L148-L156 HydrophobicContact CD1-CD2 3.61Å; L148-L196 HydrophobicContact CD2-CD1 4.07Å; L148-K199 HydrophobicContact CD2-CB 4.35Å; L148-K199 HydrophobicContact CD2-CD 3.75Å
149S94.1Very high93.6Very high50 Ų5055.5 Ų55.535%0.3528%0.28SS..  trans-66.7160.4168.862.90000111.1T151 E152 Q153S149-T151 PolarHBondContact O-N 3.42Å; S149-T151 PolarHBondContact OG-OG1 3.36Å; S149-E152 WeakPolarHBondContact CB-OE2 3.31Å; S149-E152 PolarHBondContact N-OE2 3.05Å; S149-E152 PolarHBondContact O-N 2.92Å; S149-E152 VanDerWaalsContact O-N 3.11Å; S149-E152 WeakPolarHBondContact OG-CB 3.43Å; S149-E152 VanDerWaalsContact OG-CG 3.23Å; S149-E152 WeakPolarHBondContact OG-CG 3.28Å; S149-E152 PolarHBondContact OG-N 2.82Å; S149-E152 PolarHBondContact OG-OE2 2.7Å; S149-Q153 VanDerWaalsContact O-CG 3.32Å; S149-Q153 WeakPolarHBondContact O-CG 3.31Å; S149-Q153 PolarHBondContact O-N 2.94Å
150K91.1Very high93.4Very high164 Ų16455.4 Ų55.471%0.71328%0.28SS*.Hα-helixtrans-54.1-38.3179.2-67.7-179.5179.5176.80113R154K150-R154 WeakPolarHBondContact O-CB 3.39Å; K150-R154 VanDerWaalsContact O-CG 3.27Å; K150-R154 WeakPolarHBondContact O-CG 3.47Å; K150-R154 PolarHBondContact O-N 3.4Å
151T93Very high93.1Very high38 Ų3856 Ų5623%0.23329%0.286CS..Hα-helixtrans-71.6-42.3178.547.10000111.9S149 R154 L155 V176S149-T151 PolarHBondContact O-N 3.42Å; S149-T151 PolarHBondContact OG-OG1 3.36Å; T151-R154 PolarHBondContact O-N 3.14Å; T151-L155 WeakPolarHBondContact O-CB 3.42Å; T151-L155 PolarHBondContact O-N 2.89Å; T151-V176 HydrophobicContact CG2-CG1 4.17Å
152E95.7Very high92.7Very high6 Ų657 Ų573%0.02829%0.29CS..Hα-helixtrans-61.9-43.3173.8-71.9162156.200111.4L148 S149 L155 L156 V192 R195 L196 K199L148-E152 HydrophobicContact CB-CB 4.25Å; L148-E152 HydrophobicContact CD2-CB 4.3Å; S149-E152 WeakPolarHBondContact CB-OE2 3.31Å; S149-E152 PolarHBondContact N-OE2 3.05Å; S149-E152 PolarHBondContact O-N 2.92Å; S149-E152 VanDerWaalsContact O-N 3.11Å; S149-E152 WeakPolarHBondContact OG-CB 3.43Å; S149-E152 VanDerWaalsContact OG-CG 3.23Å; S149-E152 WeakPolarHBondContact OG-CG 3.28Å; S149-E152 PolarHBondContact OG-N 2.82Å; S149-E152 PolarHBondContact OG-OE2 2.7Å; E152-L155 PolarHBondContact O-N 3.29Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 2.88Å; E152-V192 HydrophobicContact CG-CG1 3.91Å; E152-R195 WeakPolarHBondContact OE1-CB 3.42Å; E152-L196 HydrophobicContact CB-CD1 4.38Å; E152-K199 VanDerWaalsContact OE1-CE 3.3Å; E152-K199 WeakPolarHBondContact OE1-CE 3.4Å; E152-K199 IonicContact OE1-NZ 3.23Å; E152-K199 PolarHBondContact OE1-NZ 2.88Å; E152-K199 IonicContact OE2-NZ 2.72Å; E152-K199 PolarHBondContact OE2-NZ 3.38Å
153Q94.6Very high92.3Very high42 Ų4257.4 Ų57.420%0.19628%0.284CS..Hα-helixtrans-60-50175.7-68.2176.833.100111.2F134 F139 L148 S149 L155 L156 Y157F134-Q153 HydrophobicContact CE1-CB 4.36Å; F134-Q153 WeakPolarHBondContact CE1-O 3.2Å; F139-Q153 HydrophobicContact CE2-CG 3.94Å; F139-Q153 HydrophobicContact CZ-CG 3.75Å; L148-Q153 HydrophobicContact CB-CG 3.55Å; L148-Q153 HydrophobicContact CD1-CG 4.39Å; L148-Q153 PolarHBondContact O-NE2 3.06Å; S149-Q153 VanDerWaalsContact O-CG 3.32Å; S149-Q153 WeakPolarHBondContact O-CG 3.31Å; S149-Q153 PolarHBondContact O-N 2.94Å; Q153-L155 PolarHBondContact O-N 2.83Å; Q153-L156 PolarHBondContact O-N 2.91Å; Q153-Y157 WeakPolarHBondContact O-CB 3.17Å; Q153-Y157 PolarHBondContact O-N 3.27Å
154R93.2Very high92Very high110 Ų11052.4 Ų52.442%0.41527%0.273SS..Hα-helixtrans-59.9-45.5177.9-74.6173.7-178.6178.1-2.2112K150 T151 Y157 L158 V176K150-R154 WeakPolarHBondContact O-CB 3.39Å; K150-R154 VanDerWaalsContact O-CG 3.27Å; K150-R154 WeakPolarHBondContact O-CG 3.47Å; K150-R154 PolarHBondContact O-N 3.4Å; T151-R154 PolarHBondContact O-N 3.14Å; R154-Y157 PolarHBondContact O-N 2.99Å; R154-L158 VanDerWaalsContact O-CG 3.28Å; R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.43Å; R154-V176 HydrophobicContact CB-CG1 4.38Å; R154-V176 HydrophobicContact CB-CG2 4.4Å; R154-V176 VanDerWaalsContact CD-O 3.26Å; R154-V176 WeakPolarHBondContact CD-O 3.49Å; R154-V176 PolarHBondContact NH1-O 3.38Å
155L95.6Very high91.6Very high0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-62.3-50.5178.8177.761.8000111.4T151 E152 Q153 Y157 L158 L159 L172 V176 L189 V192 I193 L196T151-L155 WeakPolarHBondContact O-CB 3.42Å; T151-L155 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 3.29Å; Q153-L155 PolarHBondContact O-N 2.83Å; L155-Y157 VanDerWaalsContact C-N 3.3Å; L155-Y157 PolarHBondContact O-N 3.28Å; L155-L158 PolarHBondContact O-N 3.04Å; L155-L159 HydrophobicContact CD1-CD1 4.16Å; L155-L159 HydrophobicContact CD1-CG 4.39Å; L155-L159 HydrophobicContact CG-CD1 4.11Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.39Å; L155-L172 HydrophobicContact CD1-CD1 4.5Å; L155-L172 HydrophobicContact CD1-CD2 3.93Å; L155-V176 HydrophobicContact CB-CG2 3.86Å; L155-V176 HydrophobicContact CD1-CG2 4.08Å; L155-L189 HydrophobicContact CD1-CD1 3.9Å; L155-L189 HydrophobicContact CD2-CD1 4.33Å; L155-V192 HydrophobicContact CB-CG1 4.47Å; L155-V192 HydrophobicContact CD2-CB 4.2Å; L155-V192 HydrophobicContact CD2-CG1 3.56Å; L155-I193 HydrophobicContact CD1-CD1 4.35Å; L155-I193 HydrophobicContact CD2-CD1 3.71Å; L155-I193 HydrophobicContact CD2-CG1 3.96Å; L155-I193 HydrophobicContact CG-CD1 4.38Å; L155-L196 HydrophobicContact CD2-CD2 4.08Å; L155-L196 HydrophobicContact CG-CD2 4.23Å
156L96.5Very high91.3Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-58.8-44.9178.3-178.962.4000110.8F132 F134 L148 E152 Q153 L158 L159 L160 L196 W220F132-L156 HydrophobicContact CD1-CD2 3.91Å; F132-L156 HydrophobicContact CD2-CD2 4.05Å; F132-L156 HydrophobicContact CE1-CD2 3.9Å; F132-L156 HydrophobicContact CE2-CD1 4.14Å; F132-L156 HydrophobicContact CE2-CD2 4.04Å; F132-L156 HydrophobicContact CG-CD2 3.96Å; F132-L156 HydrophobicContact CZ-CD1 4.45Å; F132-L156 HydrophobicContact CZ-CD2 3.94Å; F134-L156 HydrophobicContact CZ-CB 4.32Å; F134-L156 HydrophobicContact CZ-CD2 4.03Å; F134-L156 HydrophobicContact CZ-CG 4.02Å; L148-L156 HydrophobicContact CD1-CD2 3.61Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 2.88Å; Q153-L156 PolarHBondContact O-N 2.91Å; L156-L158 PolarHBondContact O-N 3.16Å; L156-L159 PolarHBondContact O-N 2.98Å; L156-L160 HydrophobicContact CD1-CD1 3.81Å; L156-L160 HydrophobicContact CD1-CG 4.04Å; L156-L160 HydrophobicContact CD2-CD1 4.32Å; L156-L160 HydrophobicContact CG-CD1 3.66Å; L156-L160 HydrophobicContact CG-CG 4.29Å; L156-L160 WeakPolarHBondContact O-CB 3.31Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.31Å; L156-L196 HydrophobicContact CB-CD1 4.28Å; L156-L196 HydrophobicContact CB-CD2 3.99Å; L156-L196 HydrophobicContact CD1-CD1 4.48Å; L156-L196 HydrophobicContact CD1-CD2 4.27Å; L156-L196 HydrophobicContact CD2-CD1 4.39Å; L156-W220 HydrophobicContact CD1-CE3 4.23Å; L156-W220 HydrophobicContact CD1-CH2 4.05Å; L156-W220 HydrophobicContact CD1-CZ3 3.5Å; L156-W220 VanDerWaalsContact CD1-CZ3 3.5Å
157Y93.3Very high91Very high38 Ų3847.5 Ų47.515%0.14925%0.25CC..Hα-helixtrans-60-43.5178.4-174.6-104.8000113.2P121 R123 F134 Q153 R154 L155 N161P121-Y157 HydrophobicContact CB-CE1 4.14Å; P121-Y157 HydrophobicContact CB-CE2 4.49Å; P121-Y157 WeakPolarHBondContact CB-OH 3.49Å; P121-Y157 HydrophobicContact CG-CE1 4.43Å; P121-Y157 WeakPolarHBondContact CG-OH 3.45Å; R123-Y157 PolarHBondContact NE-OH 3.13Å; R123-Y157 PolarHBondContact NH1-OH 3.21Å; F134-Y157 HydrophobicContact CB-CD2 4.17Å; F134-Y157 HydrophobicContact CB-CE2 4.18Å; F134-Y157 AromaticContact CD1-CD2 3.7Å; F134-Y157 HydrophobicContact CD1-CD2 3.7Å; F134-Y157 HydrophobicContact CD1-CG 4.3Å; F134-Y157 AromaticContact CD2-CD2 3.71Å; F134-Y157 HydrophobicContact CD2-CD2 3.71Å; F134-Y157 HydrophobicContact CD2-CE2 4.26Å; F134-Y157 AromaticContact CE1-CD2 3.94Å; F134-Y157 HydrophobicContact CE1-CD2 3.94Å; F134-Y157 HydrophobicContact CE1-CG 4.26Å; F134-Y157 AromaticContact CE2-CD2 3.93Å; F134-Y157 HydrophobicContact CE2-CD2 3.93Å; F134-Y157 AromaticContact CG-CD2 3.57Å; F134-Y157 HydrophobicContact CG-CD2 3.57Å; F134-Y157 HydrophobicContact CG-CE2 4.07Å; F134-Y157 HydrophobicContact CZ-CD2 4.03Å; F134-Y157 HydrophobicContact CZ-CG 4.48Å; Q153-Y157 WeakPolarHBondContact O-CB 3.17Å; Q153-Y157 PolarHBondContact O-N 3.27Å; R154-Y157 PolarHBondContact O-N 2.99Å; L155-Y157 VanDerWaalsContact C-N 3.3Å; L155-Y157 PolarHBondContact O-N 3.28Å; Y157-N161 WeakPolarHBondContact CD2-ND2 3.43Å; Y157-N161 WeakPolarHBondContact CE2-ND2 3.36Å; Y157-N161 WeakPolarHBondContact O-CB 3.31Å; Y157-N161 PolarHBondContact O-N 2.88Å; Y157-N161 PolarHBondContact O-ND2 3.45Å
158L91.6Very high90.8Very high26 Ų2645.7 Ų45.714%0.13624%0.239CC..Hα-helixtrans-63.7-45.4176.3-72.5165.6000111.2R154 L155 L156 N162 L167 L172 K175 V176R154-L158 VanDerWaalsContact O-CG 3.28Å; R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.43Å; L155-L158 PolarHBondContact O-N 3.04Å; L156-L158 PolarHBondContact O-N 3.16Å; L158-N162 WeakPolarHBondContact O-CB 3.29Å; L158-N162 PolarHBondContact O-N 2.82Å; L158-N162 PolarHBondContact O-ND2 2.81Å; L158-L167 HydrophobicContact CB-CD1 4.23Å; L158-L172 HydrophobicContact CB-CD2 4.43Å; L158-L172 HydrophobicContact CD1-CD2 4.42Å; L158-K175 HydrophobicContact CD1-CB 3.53Å; L158-K175 HydrophobicContact CD2-CB 4.21Å; L158-V176 HydrophobicContact CD1-CG2 3.74Å
159L94.2Very high90.7Very high1 Ų147.5 Ų47.51%0.00525%0.246CC..Hα-helixtrans-63.5-42.8178.4-70.3171.3000111.9L155 L156 N162 Q163 L167 I193 I210 W220L155-L159 HydrophobicContact CD1-CD1 4.16Å; L155-L159 HydrophobicContact CD1-CG 4.39Å; L155-L159 HydrophobicContact CG-CD1 4.11Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 2.98Å; L159-N162 CarbonylContact O-C 3.53Å; L159-N162 VanDerWaalsContact O-C 3.25Å; L159-N162 PolarHBondContact O-N 3.07Å; L159-Q163 PolarHBondContact O-N 3.21Å; L159-L167 HydrophobicContact CD2-CD1 4.33Å; L159-I193 HydrophobicContact CD1-CD1 4.34Å; L159-I210 HydrophobicContact CD1-CD1 4.28Å; L159-I210 HydrophobicContact CD1-CG1 4.35Å; L159-I210 HydrophobicContact CD1-CG2 4.24Å; L159-W220 HydrophobicContact CB-CB 4.25Å; L159-W220 HydrophobicContact CB-CE3 4.41Å; L159-W220 WeakPolarHBondContact O-CB 3.48Å
160L91.7Very high90.5Very high3 Ų349.4 Ų49.42%0.01626%0.258CS..Hα-helixtrans-71.8-33.4-179.2-73.2172.1000113.7F125 I127 F132 F134 L156 N162 Q163 W220F125-L160 HydrophobicContact CB-CD1 4.26Å; F125-L160 HydrophobicContact CD1-CB 3.95Å; F125-L160 HydrophobicContact CD1-CD1 4.44Å; F125-L160 HydrophobicContact CD1-CD2 4.26Å; F125-L160 HydrophobicContact CD1-CG 4.46Å; F125-L160 HydrophobicContact CD2-CB 4.19Å; F125-L160 HydrophobicContact CD2-CD1 3.76Å; F125-L160 HydrophobicContact CE1-CB 3.69Å; F125-L160 WeakPolarHBondContact CE1-O 3.38Å; F125-L160 HydrophobicContact CE2-CB 3.93Å; F125-L160 HydrophobicContact CE2-CD1 4.16Å; F125-L160 HydrophobicContact CG-CB 4.2Å; F125-L160 HydrophobicContact CG-CD1 3.9Å; F125-L160 HydrophobicContact CG-CD2 4.35Å; F125-L160 HydrophobicContact CG-CG 4.4Å; F125-L160 HydrophobicContact CZ-CB 3.66Å; I127-L160 HydrophobicContact CD1-CD2 3.47Å; I127-L160 VanDerWaalsContact CD1-CD2 3.47Å; F132-L160 HydrophobicContact CB-CD1 4.36Å; F132-L160 HydrophobicContact CD2-CD1 3.53Å; F132-L160 HydrophobicContact CE2-CD1 4.18Å; F132-L160 HydrophobicContact CG-CD1 4.27Å; F134-L160 HydrophobicContact CE2-CD1 3.82Å; F134-L160 HydrophobicContact CZ-CD1 4.13Å; L156-L160 HydrophobicContact CD1-CD1 3.81Å; L156-L160 HydrophobicContact CD1-CG 4.04Å; L156-L160 HydrophobicContact CD2-CD1 4.32Å; L156-L160 HydrophobicContact CG-CD1 3.66Å; L156-L160 HydrophobicContact CG-CG 4.29Å; L156-L160 WeakPolarHBondContact O-CB 3.31Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.31Å; L160-N162 VanDerWaalsContact C-N 3.25Å; L160-Q163 VanDerWaalsContact O-CG 3.28Å; L160-Q163 WeakPolarHBondContact O-CG 3.35Å; L160-Q163 PolarHBondContact O-NE2 3.22Å; L160-W220 HydrophobicContact CD2-CD2 3.75Å; L160-W220 HydrophobicContact CD2-CE3 4.1Å; L160-W220 HydrophobicContact CD2-CG 4.25Å; L160-W220 HydrophobicContact CD2-CH2 4.15Å; L160-W220 HydrophobicContact CD2-CZ2 3.8Å; L160-W220 HydrophobicContact CD2-CZ3 4.3Å
161N86.2Confident90.3Very high50 Ų5046 Ų4627%0.26724%0.241SC..Hα-helixtrans-77.9-12.4173.1-80.3-76.6000113P121 Q122 Y157P121-N161 WeakPolarHBondContact CA-OD1 3.19Å; P121-N161 WeakPolarHBondContact CB-OD1 3.34Å; Q122-N161 PolarHBondContact N-OD1 2.97Å; Y157-N161 WeakPolarHBondContact CD2-ND2 3.43Å; Y157-N161 WeakPolarHBondContact CE2-ND2 3.36Å; Y157-N161 WeakPolarHBondContact O-CB 3.31Å; Y157-N161 PolarHBondContact O-N 2.88Å; Y157-N161 PolarHBondContact O-ND2 3.45Å
162N83.9Confident90.3Very high44 Ų4444.1 Ų44.124%0.23523%0.23CC..THydrogen-bonded Turntrans-121.639.3178.3-64.6-87.3000111.4L158 L159 L160 G164 A165 L167L158-N162 WeakPolarHBondContact O-CB 3.29Å; L158-N162 PolarHBondContact O-N 2.82Å; L158-N162 PolarHBondContact O-ND2 2.81Å; L159-N162 CarbonylContact O-C 3.53Å; L159-N162 VanDerWaalsContact O-C 3.25Å; L159-N162 PolarHBondContact O-N 3.07Å; L160-N162 VanDerWaalsContact C-N 3.25Å; N162-G164 PolarHBondContact O-N 3.21Å; N162-A165 HydrophobicContact CB-CB 4.34Å; N162-A165 WeakPolarHBondContact O-CB 3.44Å; N162-A165 PolarHBondContact O-N 2.96Å; N162-L167 HydrophobicContact CB-CD1 3.97Å; N162-L167 HydrophobicContact CB-CD2 3.88Å; N162-L167 HydrophobicContact CB-CG 4.12Å
163Q83.5Confident90.1Very high77 Ų7745.2 Ų45.236%0.3624%0.235SC..THydrogen-bonded Turntrans-53.9137.1179.1-76.4175.156.400112.1L159 L160 A165 W220L159-Q163 PolarHBondContact O-N 3.21Å; L160-Q163 VanDerWaalsContact O-CG 3.28Å; L160-Q163 WeakPolarHBondContact O-CG 3.35Å; L160-Q163 PolarHBondContact O-NE2 3.22Å; Q163-A165 PolarHBondContact O-N 3.42Å; Q163-A165 VanDerWaalsContact O-N 3.13Å; Q163-W220 HydrophobicContact CG-CB 4.06Å; Q163-W220 HydrophobicContact CG-CG 4Å
164G80.8Confident89.7Confident45 Ų4547.3 Ų47.346%0.46425%0.248SC..THydrogen-bonded Turntrans75.4-17.9-176.400000115N162 W220 T222N162-G164 PolarHBondContact O-N 3.21Å; G164-W220 PolarHBondContact N-O 2.81Å; G164-T222 VanDerWaalsContact CA-OG1 3.22Å; G164-T222 WeakPolarHBondContact CA-OG1 3.38Å; G164-T222 PolarHBondContact N-OG1 2.99Å
165A82.7Confident89.4Confident45 Ų4546.2 Ų46.237%0.37225%0.246SC..SBendtrans-88.2139.7176.300000111.4N162 Q163 L167 S219N162-A165 HydrophobicContact CB-CB 4.34Å; N162-A165 WeakPolarHBondContact O-CB 3.44Å; N162-A165 PolarHBondContact O-N 2.96Å; Q163-A165 PolarHBondContact O-N 3.42Å; Q163-A165 VanDerWaalsContact O-N 3.13Å; A165-L167 PolarHBondContact O-N 3.45Å; A165-S219 WeakPolarHBondContact O-CB 3.34Å
166T88.6Confident89.2Confident60 Ų6046.2 Ų46.237%0.36825%0.246SC..  trans-83.5113.2172.4-55.20000109.8V213 I216T166-V213 HydrophobicContact CG2-CB 3.7Å; T166-V213 HydrophobicContact CG2-CG1 4.04Å; T166-V213 HydrophobicContact CG2-CG2 3.65Å; T166-I216 HydrophobicContact CG2-CB 4.16Å; T166-I216 HydrophobicContact CG2-CG2 3.57Å
167L89Confident88.9Confident15 Ų1547.7 Ų47.78%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-88.2125.7174-61.5-175.8000109.9L158 L159 N162 A165 Y171 L172 G217 Y218L158-L167 HydrophobicContact CB-CD1 4.23Å; L159-L167 HydrophobicContact CD2-CD1 4.33Å; N162-L167 HydrophobicContact CB-CD1 3.97Å; N162-L167 HydrophobicContact CB-CD2 3.88Å; N162-L167 HydrophobicContact CB-CG 4.12Å; A165-L167 PolarHBondContact O-N 3.45Å; L167-Y171 HydrophobicContact CB-CD1 4.34Å; L167-Y171 HydrophobicContact CD1-CE1 4.29Å; L167-Y171 HydrophobicContact CD2-CD1 4.21Å; L167-Y171 HydrophobicContact CD2-CE1 4.03Å; L167-L172 HydrophobicContact CB-CD1 4.01Å; L167-L172 HydrophobicContact CB-CD2 3.81Å; L167-L172 HydrophobicContact CB-CG 3.82Å; L167-L172 HydrophobicContact CD1-CD2 3.64Å; L167-L172 HydrophobicContact CG-CD2 4.4Å; L167-G217 WeakPolarHBondContact O-CA 3.45Å; L167-Y218 PolarHBondContact N-O 3.34Å; L167-Y218 PolarHBondContact O-N 3.19Å
168K92.5Very high87.7Confident132 Ų13248.4 Ų48.457%0.57426%0.262SS*.EExtended strand (participates in β ladder)trans-64.4146.4179.7-65.7-176.5-179.9-179.20111.1C170 Y171 L172 I216K168-C170 VanDerWaalsContact C-N 3.34Å; K168-C170 PolarHBondContact O-N 2.95Å; K168-Y171 WeakPolarHBondContact O-CB 3.42Å; K168-Y171 PolarHBondContact O-N 3.46Å; K168-Y171 VanDerWaalsContact O-N 3.15Å; K168-L172 PolarHBondContact O-N 3.43Å; K168-I216 WeakPolarHBondContact CA-O 3.47Å; K168-I216 HydrophobicContact CG-CG2 4.36Å
169R92.5Very high86.2Confident52 Ų5251.2 Ų51.220%0.19630%0.297CS..Hα-helixtrans-52.8-48.8177.1-68.5176.358.2761.5112.5Y171 L172 I173 E186 L189 T190 I216 Y218R169-Y171 VanDerWaalsContact C-N 3.34Å; R169-Y171 PolarHBondContact O-N 3.04Å; R169-L172 PolarHBondContact O-N 2.88Å; R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 2.94Å; R169-E186 IonicContact CZ-OE1 3.9Å; R169-E186 IonicContact NE-OE1 2.7Å; R169-E186 PolarHBondContact NE-OE1 2.88Å; R169-E186 PolarHBondContact NH2-O 2.97Å; R169-E186 IonicContact NH2-OE1 2.85Å; R169-E186 PolarHBondContact NH2-OE1 2.91Å; R169-L189 HydrophobicContact CB-CD2 4.05Å; R169-L189 HydrophobicContact CG-CD2 4.12Å; R169-T190 PolarHBondContact NH1-OG1 3.14Å; R169-I216 PolarHBondContact N-O 2.93Å; R169-Y218 HydrophobicContact CG-CE2 4.39Å; R169-Y218 PolarHBondContact NH1-OH 3.19Å
170C89.5Confident84.4Confident89 Ų8955.6 Ų55.660%0.60132%0.321SS*.Hα-helixtrans-59.8-41.1179.156.70000113K168 I173 D174K168-C170 VanDerWaalsContact C-N 3.34Å; K168-C170 PolarHBondContact O-N 2.95Å; C170-I173 PolarHBondContact O-N 2.88Å; C170-D174 WeakPolarHBondContact O-CB 3.45Å; C170-D174 PolarHBondContact O-N 3.36Å
171Y88.1Confident82.5Confident92 Ų9261.4 Ų61.436%0.36136%0.362SS..Hα-helixtrans-65.2-43176.4174-93.3000111.8L167 K168 R169 D174 K175L167-Y171 HydrophobicContact CB-CD1 4.34Å; L167-Y171 HydrophobicContact CD1-CE1 4.29Å; L167-Y171 HydrophobicContact CD2-CD1 4.21Å; L167-Y171 HydrophobicContact CD2-CE1 4.03Å; K168-Y171 WeakPolarHBondContact O-CB 3.42Å; K168-Y171 PolarHBondContact O-N 3.46Å; K168-Y171 VanDerWaalsContact O-N 3.15Å; R169-Y171 VanDerWaalsContact C-N 3.34Å; R169-Y171 PolarHBondContact O-N 3.04Å; Y171-D174 PolarHBondContact O-N 2.89Å; Y171-K175 HydrophobicContact CD1-CG 4.46Å; Y171-K175 HydrophobicContact CD2-CG 4.27Å; Y171-K175 HydrophobicContact CE1-CG 4.06Å; Y171-K175 HydrophobicContact CE2-CG 3.86Å; Y171-K175 WeakPolarHBondContact O-CB 3.35Å; Y171-K175 WeakPolarHBondContact O-CG 3.49Å; Y171-K175 PolarHBondContact O-N 3.23Å
172L92.8Very high81.2Confident0 Ų066.5 Ų66.50%038%0.384CS..Hα-helixtrans-64.8-42.4177.3-71170.5000111.6L155 L158 L167 K168 R169 K175 V176 L189 Y218L155-L172 HydrophobicContact CD1-CD1 4.5Å; L155-L172 HydrophobicContact CD1-CD2 3.93Å; L158-L172 HydrophobicContact CB-CD2 4.43Å; L158-L172 HydrophobicContact CD1-CD2 4.42Å; L167-L172 HydrophobicContact CB-CD1 4.01Å; L167-L172 HydrophobicContact CB-CD2 3.81Å; L167-L172 HydrophobicContact CB-CG 3.82Å; L167-L172 HydrophobicContact CD1-CD2 3.64Å; L167-L172 HydrophobicContact CG-CD2 4.4Å; K168-L172 PolarHBondContact O-N 3.43Å; R169-L172 PolarHBondContact O-N 2.88Å; L172-K175 PolarHBondContact O-N 3.27Å; L172-V176 VanDerWaalsContact O-CB 3.29Å; L172-V176 WeakPolarHBondContact O-CB 3.18Å; L172-V176 VanDerWaalsContact O-CG2 3.26Å; L172-V176 WeakPolarHBondContact O-CG2 3.28Å; L172-V176 PolarHBondContact O-N 2.88Å; L172-L189 HydrophobicContact CB-CD1 4.01Å; L172-L189 HydrophobicContact CB-CD2 3.89Å; L172-L189 HydrophobicContact CD1-CD1 4.38Å; L172-L189 HydrophobicContact CD1-CD2 4.1Å; L172-Y218 HydrophobicContact CD1-CD2 3.73Å; L172-Y218 HydrophobicContact CD1-CG 4.43Å
173I91.3Very high80.3Confident29 Ų2974.3 Ų74.315%0.14942%0.416CS..Hα-helixtrans-61.6-49.3176-67.6164.1000110.1R169 C170 K175 W177 V184 E186 L189R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 2.94Å; C170-I173 PolarHBondContact O-N 2.88Å; I173-K175 VanDerWaalsContact C-N 3.35Å; I173-K175 PolarHBondContact O-N 3.49Å; I173-W177 HydrophobicContact CB-CE3 4.44Å; I173-W177 HydrophobicContact CG1-CZ3 4.34Å; I173-W177 HydrophobicContact CG2-CE3 4.37Å; I173-W177 PolarHBondContact O-N 3.36Å; I173-V184 HydrophobicContact CG2-CB 4.28Å; I173-V184 HydrophobicContact CG2-CG1 4.29Å; I173-E186 HydrophobicContact CD1-CG 3.78Å; I173-L189 HydrophobicContact CD1-CB 4.4Å; I173-L189 HydrophobicContact CG1-CB 3.95Å; I173-L189 HydrophobicContact CG1-CD2 4.12Å
174D87.3Confident79.5Confident85 Ų8572.3 Ų72.346%0.45541%0.409SS..Hα-helixtrans-54.1-50.9176.4177.565.2000111.1C170 Y171 S178C170-D174 WeakPolarHBondContact O-CB 3.45Å; C170-D174 PolarHBondContact O-N 3.36Å; Y171-D174 PolarHBondContact O-N 2.89Å; D174-S178 VanDerWaalsContact O-CA 3.29Å; D174-S178 WeakPolarHBondContact O-CA 3.47Å; D174-S178 WeakPolarHBondContact O-CB 3.23Å; D174-S178 PolarHBondContact O-N 3.17Å; D174-S178 PolarHBondContact O-OG 3.19Å
175K86.9Confident79.3Confident88 Ų8875.1 Ų75.138%0.38341%0.414SS..Hα-helixtrans-77.9-33.6-172.5-65.9-55.9176.9-137.20115.9L158 Y171 L172 I173 S178L158-K175 HydrophobicContact CD1-CB 3.53Å; L158-K175 HydrophobicContact CD2-CB 4.21Å; Y171-K175 HydrophobicContact CD1-CG 4.46Å; Y171-K175 HydrophobicContact CD2-CG 4.27Å; Y171-K175 HydrophobicContact CE1-CG 4.06Å; Y171-K175 HydrophobicContact CE2-CG 3.86Å; Y171-K175 WeakPolarHBondContact O-CB 3.35Å; Y171-K175 WeakPolarHBondContact O-CG 3.49Å; Y171-K175 PolarHBondContact O-N 3.23Å; L172-K175 PolarHBondContact O-N 3.27Å; I173-K175 VanDerWaalsContact C-N 3.35Å; I173-K175 PolarHBondContact O-N 3.49Å; K175-S178 VanDerWaalsContact CA-OG 3.3Å; K175-S178 WeakPolarHBondContact CA-OG 3.5Å; K175-S178 PolarHBondContact O-OG 3.15Å
176V90.7Very high79Confident0 Ų078.3 Ų78.30%042%0.421CS..Hα-helixtrans-75.3-34.7-179.9171.30000110.7T151 R154 L155 L158 L172T151-V176 HydrophobicContact CG2-CG1 4.17Å; R154-V176 HydrophobicContact CB-CG1 4.38Å; R154-V176 HydrophobicContact CB-CG2 4.4Å; R154-V176 VanDerWaalsContact CD-O 3.26Å; R154-V176 WeakPolarHBondContact CD-O 3.49Å; R154-V176 PolarHBondContact NH1-O 3.38Å; L155-V176 HydrophobicContact CB-CG2 3.86Å; L155-V176 HydrophobicContact CD1-CG2 4.08Å; L158-V176 HydrophobicContact CD1-CG2 3.74Å; L172-V176 VanDerWaalsContact O-CB 3.29Å; L172-V176 WeakPolarHBondContact O-CB 3.18Å; L172-V176 VanDerWaalsContact O-CG2 3.26Å; L172-V176 WeakPolarHBondContact O-CG2 3.28Å; L172-V176 PolarHBondContact O-N 2.88Å
177W88.9Confident79Confident30 Ų3080.5 Ų80.511%0.11443%0.427CS..Hα-helixtrans-108.810.4-177.7-67.2-97.9000114.6I173 G179 N180 V184 A188 L189 V192I173-W177 HydrophobicContact CB-CE3 4.44Å; I173-W177 HydrophobicContact CG1-CZ3 4.34Å; I173-W177 HydrophobicContact CG2-CE3 4.37Å; I173-W177 PolarHBondContact O-N 3.36Å; W177-G179 PolarHBondContact O-N 3.17Å; W177-N180 WeakPolarHBondContact O-CB 3.34Å; W177-N180 PolarHBondContact O-N 2.81Å; W177-N180 VanDerWaalsContact O-N 3.08Å; W177-V184 HydrophobicContact CB-CG2 3.66Å; W177-V184 HydrophobicContact CD2-CG1 3.82Å; W177-V184 HydrophobicContact CD2-CG2 4.42Å; W177-V184 HydrophobicContact CE3-CG1 4.33Å; W177-V184 HydrophobicContact CG-CB 4.39Å; W177-V184 HydrophobicContact CG-CG1 3.95Å; W177-V184 HydrophobicContact CG-CG2 3.67Å; W177-V184 HydrophobicContact CZ2-CG1 4.47Å; W177-A188 HydrophobicContact CH2-CB 4.31Å; W177-A188 HydrophobicContact CZ2-CB 3.82Å; W177-L189 HydrophobicContact CH2-CB 4.24Å; W177-L189 HydrophobicContact CH2-CD1 4.39Å; W177-L189 HydrophobicContact CZ3-CB 4.33Å; W177-L189 HydrophobicContact CZ3-CD1 4.27Å; W177-V192 HydrophobicContact CH2-CB 4.49Å; W177-V192 HydrophobicContact CH2-CG2 4.06Å; W177-V192 HydrophobicContact CZ2-CG2 3.81Å
178S70.1Confident79Confident54 Ų5481 Ų8138%0.37843%0.433SS..THydrogen-bonded Turntrans-52.4131.2176.4-34.90000110.4D174 K175D174-S178 VanDerWaalsContact O-CA 3.29Å; D174-S178 WeakPolarHBondContact O-CA 3.47Å; D174-S178 WeakPolarHBondContact O-CB 3.23Å; D174-S178 PolarHBondContact O-N 3.17Å; D174-S178 PolarHBondContact O-OG 3.19Å; K175-S178 VanDerWaalsContact CA-OG 3.3Å; K175-S178 WeakPolarHBondContact CA-OG 3.5Å; K175-S178 PolarHBondContact O-OG 3.15Å
179G58.6Low79.1Confident84 Ų8474.8 Ų74.887%0.86641%0.406SS*.THydrogen-bonded Turntrans90.9-2.9-179.800000115.3W177W177-G179 PolarHBondContact O-N 3.17Å
180N56.8Low79.1Confident93 Ų9373.8 Ų73.850%0.49741%0.406SS..  trans-82.5126.2165.4-67.7-12.5000108.8W177 E182W177-N180 WeakPolarHBondContact O-CB 3.34Å; W177-N180 PolarHBondContact O-N 2.81Å; W177-N180 VanDerWaalsContact O-N 3.08Å; N180-E182 PolarHBondContact O-N 2.8Å
181S51.4Low79.3Confident126 Ų12671.4 Ų71.488%0.88139%0.388SS*.SBendtrans-71.7-4.2-179.9510000114.1
182E60Low79.7Confident157 Ų15767.5 Ų67.573%0.73437%0.374SS*.SBendtrans-103.4143.1-174.6-68.1177.5177.300111.4N180 V184N180-E182 PolarHBondContact O-N 2.8Å; E182-V184 PolarHBondContact O-N 2.72Å
183F64.6Low79.8Confident207 Ų20767.6 Ų67.691%0.90837%0.374SS*.PPolyproline II helixtrans-59120170.7-172.7-89.4000109.4
184V67.4Low80Confident35 Ų3571.3 Ų71.321%0.21239%0.391CS..PPolyproline II helixtrans-89.6123.7178.9179.70000109.2I173 W177 E182 E186 A188I173-V184 HydrophobicContact CG2-CB 4.28Å; I173-V184 HydrophobicContact CG2-CG1 4.29Å; W177-V184 HydrophobicContact CB-CG2 3.66Å; W177-V184 HydrophobicContact CD2-CG1 3.82Å; W177-V184 HydrophobicContact CD2-CG2 4.42Å; W177-V184 HydrophobicContact CE3-CG1 4.33Å; W177-V184 HydrophobicContact CG-CB 4.39Å; W177-V184 HydrophobicContact CG-CG1 3.95Å; W177-V184 HydrophobicContact CG-CG2 3.67Å; W177-V184 HydrophobicContact CZ2-CG1 4.47Å; E182-V184 PolarHBondContact O-N 2.72Å; V184-E186 PolarHBondContact O-N 2.91Å; V184-A188 HydrophobicContact CG1-CB 3.77Å
185D75.8Confident80.4Confident105 Ų10574.6 Ų74.656%0.56140%0.397SS*.PPolyproline II helixtrans-56.1133.9172.1-179-3.2000111H187 A188D185-H187 PolarHBondContact O-N 3.4Å; D185-H187 VanDerWaalsContact O-N 3.13Å; D185-H187 WeakPolarHBondContact OD1-CB 3.35Å; D185-H187 PolarHBondContact OD1-N 3.28Å; D185-A188 WeakPolarHBondContact O-CB 3.3Å; D185-A188 PolarHBondContact O-N 2.84Å
186E76.1Confident80.9Confident112 Ų11270.4 Ų70.452%0.52338%0.379SS..Hα-helixtrans-58.8-25.3176.3-145.6-157134.800112.7R169 I173 V184 A188R169-E186 IonicContact CZ-OE1 3.9Å; R169-E186 IonicContact NE-OE1 2.7Å; R169-E186 PolarHBondContact NE-OE1 2.88Å; R169-E186 PolarHBondContact NH2-O 2.97Å; R169-E186 IonicContact NH2-OE1 2.85Å; R169-E186 PolarHBondContact NH2-OE1 2.91Å; I173-E186 HydrophobicContact CD1-CG 3.78Å; V184-E186 PolarHBondContact O-N 2.91Å; E186-A188 VanDerWaalsContact C-N 3.27Å; E186-A188 PolarHBondContact O-N 3.18Å
187H87.8Confident81.1Confident106 Ų10671.2 Ų71.249%0.49138%0.382SS..Hα-helixtrans-70.9-21.7175.3-157.169.4000113.1D185 L189 T190 V191D185-H187 PolarHBondContact O-N 3.4Å; D185-H187 VanDerWaalsContact O-N 3.13Å; D185-H187 WeakPolarHBondContact OD1-CB 3.35Å; D185-H187 PolarHBondContact OD1-N 3.28Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.98Å; H187-T190 WeakPolarHBondContact O-CB 3.17Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 VanDerWaalsContact O-N 3.08Å; H187-V191 PolarHBondContact O-N 3.07Å; H187-V191 VanDerWaalsContact O-N 3.1Å
188A90.2Very high81.4Confident26 Ų2678.5 Ų78.522%0.21542%0.415CS..Hα-helixtrans-58.9-40.7-179.300000112.1W177 V184 D185 E186 T190 V191 V192W177-A188 HydrophobicContact CH2-CB 4.31Å; W177-A188 HydrophobicContact CZ2-CB 3.82Å; V184-A188 HydrophobicContact CG1-CB 3.77Å; D185-A188 WeakPolarHBondContact O-CB 3.3Å; D185-A188 PolarHBondContact O-N 2.84Å; E186-A188 VanDerWaalsContact C-N 3.27Å; E186-A188 PolarHBondContact O-N 3.18Å; A188-T190 VanDerWaalsContact C-N 3.34Å; A188-T190 PolarHBondContact O-N 3.35Å; A188-V191 PolarHBondContact O-N 2.78Å; A188-V192 WeakPolarHBondContact O-CG2 3.12Å; A188-V192 PolarHBondContact O-N 3.36Å
189L93.8Very high82.6Confident0 Ų079.6 Ų79.60%041%0.413CS..Hα-helixtrans-59.9-43.8175.6179.161.6000112.1L155 R169 L172 I173 W177 H187 V191 V192 I193 Y218L155-L189 HydrophobicContact CD1-CD1 3.9Å; L155-L189 HydrophobicContact CD2-CD1 4.33Å; R169-L189 HydrophobicContact CB-CD2 4.05Å; R169-L189 HydrophobicContact CG-CD2 4.12Å; L172-L189 HydrophobicContact CB-CD1 4.01Å; L172-L189 HydrophobicContact CB-CD2 3.89Å; L172-L189 HydrophobicContact CD1-CD1 4.38Å; L172-L189 HydrophobicContact CD1-CD2 4.1Å; I173-L189 HydrophobicContact CD1-CB 4.4Å; I173-L189 HydrophobicContact CG1-CB 3.95Å; I173-L189 HydrophobicContact CG1-CD2 4.12Å; W177-L189 HydrophobicContact CH2-CB 4.24Å; W177-L189 HydrophobicContact CH2-CD1 4.39Å; W177-L189 HydrophobicContact CZ3-CB 4.33Å; W177-L189 HydrophobicContact CZ3-CD1 4.27Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.98Å; L189-V191 VanDerWaalsContact C-N 3.35Å; L189-V191 PolarHBondContact O-N 3.21Å; L189-V192 PolarHBondContact O-N 3.44Å; L189-I193 HydrophobicContact CD1-CG1 4.22Å; L189-I193 HydrophobicContact CG-CG1 4.47Å; L189-I193 WeakPolarHBondContact O-CB 3.3Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.39Å; L189-I193 PolarHBondContact O-N 2.98Å; L189-Y218 HydrophobicContact CD2-CD2 4.08Å; L189-Y218 HydrophobicContact CD2-CE2 3.68Å; L189-Y218 HydrophobicContact CG-CD2 4.42Å; L189-Y218 HydrophobicContact CG-CE2 3.87Å
190T93.6Very high84.3Confident31 Ų3175.6 Ų75.619%0.1937%0.371CS..Hα-helixtrans-63.1-42.8179.8-57.40000111.2R169 H187 A188 I193 Q194R169-T190 PolarHBondContact NH1-OG1 3.14Å; H187-T190 WeakPolarHBondContact O-CB 3.17Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 VanDerWaalsContact O-N 3.08Å; A188-T190 VanDerWaalsContact C-N 3.34Å; A188-T190 PolarHBondContact O-N 3.35Å; T190-I193 PolarHBondContact O-N 2.74Å; T190-Q194 WeakPolarHBondContact O-CG 3.49Å; T190-Q194 PolarHBondContact O-N 3.24Å
191V94Very high85.9Confident39 Ų3974 Ų7424%0.23638%0.376CS..Hα-helixtrans-64.1-44.2177.1174.40000111.6H187 A188 L189 Q194 R195H187-V191 PolarHBondContact O-N 3.07Å; H187-V191 VanDerWaalsContact O-N 3.1Å; A188-V191 PolarHBondContact O-N 2.78Å; L189-V191 VanDerWaalsContact C-N 3.35Å; L189-V191 PolarHBondContact O-N 3.21Å; V191-Q194 PolarHBondContact O-N 2.75Å; V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 2.89Å
192V95.1Very high87.8Confident11 Ų1168.1 Ų68.17%0.06734%0.335CS..Hα-helixtrans-66-39.9178.5-179.90000111E152 L155 W177 A188 L189 Q194 R195 L196E152-V192 HydrophobicContact CG-CG1 3.91Å; L155-V192 HydrophobicContact CB-CG1 4.47Å; L155-V192 HydrophobicContact CD2-CB 4.2Å; L155-V192 HydrophobicContact CD2-CG1 3.56Å; W177-V192 HydrophobicContact CH2-CB 4.49Å; W177-V192 HydrophobicContact CH2-CG2 4.06Å; W177-V192 HydrophobicContact CZ2-CG2 3.81Å; A188-V192 WeakPolarHBondContact O-CG2 3.12Å; A188-V192 PolarHBondContact O-N 3.36Å; L189-V192 PolarHBondContact O-N 3.44Å; V192-Q194 VanDerWaalsContact C-N 3.35Å; V192-Q194 PolarHBondContact O-N 3Å; V192-R195 PolarHBondContact O-N 3.11Å; V192-L196 VanDerWaalsContact O-CB 3.23Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 3.32Å
193I96.1Very high89.1Confident1 Ų164.1 Ų64.11%0.00532%0.319CS..Hα-helixtrans-58.5-46.2173.1-72.2-78.6000111L155 L159 L189 T190 L196 R197 I210 Y218L155-I193 HydrophobicContact CD1-CD1 4.35Å; L155-I193 HydrophobicContact CD2-CD1 3.71Å; L155-I193 HydrophobicContact CD2-CG1 3.96Å; L155-I193 HydrophobicContact CG-CD1 4.38Å; L159-I193 HydrophobicContact CD1-CD1 4.34Å; L189-I193 HydrophobicContact CD1-CG1 4.22Å; L189-I193 HydrophobicContact CG-CG1 4.47Å; L189-I193 WeakPolarHBondContact O-CB 3.3Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.39Å; L189-I193 PolarHBondContact O-N 2.98Å; T190-I193 PolarHBondContact O-N 2.74Å; I193-L196 PolarHBondContact O-N 3.45Å; I193-R197 HydrophobicContact CG2-CG 4.47Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.37Å; I193-R197 PolarHBondContact O-N 3.19Å; I193-I210 HydrophobicContact CD1-CG2 3.85Å; I193-I210 HydrophobicContact CG2-CG2 4.4Å; I193-Y218 HydrophobicContact CB-CE1 4.35Å; I193-Y218 HydrophobicContact CD1-CD1 3.84Å; I193-Y218 HydrophobicContact CD1-CD2 4.06Å; I193-Y218 HydrophobicContact CD1-CE1 4.18Å; I193-Y218 HydrophobicContact CD1-CE2 4.38Å; I193-Y218 HydrophobicContact CD1-CG 3.78Å; I193-Y218 HydrophobicContact CG1-CD1 4.15Å; I193-Y218 HydrophobicContact CG1-CD2 4.17Å; I193-Y218 HydrophobicContact CG1-CE1 3.96Å; I193-Y218 HydrophobicContact CG1-CE2 3.98Å; I193-Y218 HydrophobicContact CG1-CG 4.25Å; I193-Y218 HydrophobicContact CG2-CD1 4.24Å; I193-Y218 HydrophobicContact CG2-CE1 3.84Å
194Q95.1Very high89.8Confident108 Ų10858.3 Ų58.351%0.50530%0.302SS..Hα-helixtrans-62.6-45.2179.2-74.7173.8-16.300112.3T190 V191 V192 K198T190-Q194 WeakPolarHBondContact O-CG 3.49Å; T190-Q194 PolarHBondContact O-N 3.24Å; V191-Q194 PolarHBondContact O-N 2.75Å; V192-Q194 VanDerWaalsContact C-N 3.35Å; V192-Q194 PolarHBondContact O-N 3Å; Q194-K198 PolarHBondContact O-N 3.48Å; Q194-K198 VanDerWaalsContact O-N 3.08Å
195R95.3Very high90.6Very high154 Ų15461.2 Ų61.258%0.58132%0.324SS*.Hα-helixtrans-63.5-45.7177-70.2176.5-178.4179.11.6111.4E152 V191 V192 K198 K199E152-R195 WeakPolarHBondContact OE1-CB 3.42Å; V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 2.89Å; V192-R195 PolarHBondContact O-N 3.11Å; R195-K198 PolarHBondContact O-N 3.31Å; R195-K199 WeakPolarHBondContact O-CG 3.46Å; R195-K199 PolarHBondContact O-N 2.96Å
196L96.6Very high91Very high0 Ų063.3 Ų63.30%033%0.33CS..Hα-helixtrans-60.3-49178.4-178.759.6000111L148 E152 L155 L156 V192 I193 K198 K199 I200 I210L148-L196 HydrophobicContact CD2-CD1 4.07Å; E152-L196 HydrophobicContact CB-CD1 4.38Å; L155-L196 HydrophobicContact CD2-CD2 4.08Å; L155-L196 HydrophobicContact CG-CD2 4.23Å; L156-L196 HydrophobicContact CB-CD1 4.28Å; L156-L196 HydrophobicContact CB-CD2 3.99Å; L156-L196 HydrophobicContact CD1-CD1 4.48Å; L156-L196 HydrophobicContact CD1-CD2 4.27Å; L156-L196 HydrophobicContact CD2-CD1 4.39Å; V192-L196 VanDerWaalsContact O-CB 3.23Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 3.32Å; I193-L196 PolarHBondContact O-N 3.45Å; L196-K198 VanDerWaalsContact C-N 3.33Å; L196-K198 PolarHBondContact O-N 2.92Å; L196-K199 PolarHBondContact O-N 3.35Å; L196-K199 VanDerWaalsContact O-N 3.1Å; L196-I200 HydrophobicContact CD1-CG2 4.03Å; L196-I200 WeakPolarHBondContact O-CG1 3.43Å; L196-I200 PolarHBondContact O-N 2.76Å; L196-I210 HydrophobicContact CD2-CD1 3.67Å; L196-I210 HydrophobicContact CG-CD1 3.88Å
197R96.1Very high91.5Very high17 Ų1759 Ų596%0.06431%0.312CS..Hα-helixtrans-53-48.8175.1-82.2-169.1179.8137.50.3112.1I193 K199 I200 G201 D202 I210 T212I193-R197 HydrophobicContact CG2-CG 4.47Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.37Å; I193-R197 PolarHBondContact O-N 3.19Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.2Å; R197-I200 PolarHBondContact O-N 3.34Å; R197-G201 PolarHBondContact O-N 3.32Å; R197-G201 VanDerWaalsContact O-N 3.08Å; R197-D202 HydrophobicContact CB-CB 4.11Å; R197-D202 WeakPolarHBondContact CB-O 3.31Å; R197-D202 HydrophobicContact CG-CB 4Å; R197-D202 IonicContact NE-OD2 2.88Å; R197-D202 PolarHBondContact O-N 2.81Å; R197-I210 HydrophobicContact CG-CB 4.31Å; R197-I210 HydrophobicContact CG-CD1 4.17Å; R197-I210 PolarHBondContact NE-O 3.08Å; R197-I210 PolarHBondContact NH2-O 3.44Å; R197-T212 PolarHBondContact NH2-OG1 2.98Å
198K94.7Very high91.6Very high183 Ų18358.8 Ų58.880%0.79631%0.309SS*.Hα-helixtrans-58.5-43.9176.9-175.4178179.2179.70112.1Q194 R195 L196 G201Q194-K198 PolarHBondContact O-N 3.48Å; Q194-K198 VanDerWaalsContact O-N 3.08Å; R195-K198 PolarHBondContact O-N 3.31Å; L196-K198 VanDerWaalsContact C-N 3.33Å; L196-K198 PolarHBondContact O-N 2.92Å; K198-G201 PolarHBondContact O-N 2.98Å
199K95Very high91.7Very high77 Ų7757.7 Ų57.734%0.33530%0.3SS..Hα-helixtrans-67.8-36.4-178.9-72.2-175179.3-171.20113.3I146 E147 L148 E152 R195 L196 R197 G201I146-K199 HydrophobicContact CD1-CB 4.36Å; E147-K199 WeakPolarHBondContact O-CD 3.42Å; E147-K199 PolarHBondContact O-NZ 3.48Å; L148-K199 HydrophobicContact CD2-CB 4.35Å; L148-K199 HydrophobicContact CD2-CD 3.75Å; E152-K199 VanDerWaalsContact OE1-CE 3.3Å; E152-K199 WeakPolarHBondContact OE1-CE 3.4Å; E152-K199 IonicContact OE1-NZ 3.23Å; E152-K199 PolarHBondContact OE1-NZ 2.88Å; E152-K199 IonicContact OE2-NZ 2.72Å; E152-K199 PolarHBondContact OE2-NZ 3.38Å; R195-K199 WeakPolarHBondContact O-CG 3.46Å; R195-K199 PolarHBondContact O-N 2.96Å; L196-K199 PolarHBondContact O-N 3.35Å; L196-K199 VanDerWaalsContact O-N 3.1Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.2Å; K199-G201 VanDerWaalsContact C-N 3.35Å
200I94.2Very high91.8Very high0 Ų057.7 Ų57.70%030%0.3CS..THydrogen-bonded Turntrans-90.74.2179.571.7174.7000113.6L130 F132 I146 L196 R197 D202 Y209 I210 W220L130-I200 HydrophobicContact CD2-CB 4.22Å; F132-I200 HydrophobicContact CE1-CG2 4.31Å; F132-I200 HydrophobicContact CZ-CG2 3.92Å; I146-I200 HydrophobicContact CD1-CG2 4.39Å; L196-I200 HydrophobicContact CD1-CG2 4.03Å; L196-I200 WeakPolarHBondContact O-CG1 3.43Å; L196-I200 PolarHBondContact O-N 2.76Å; R197-I200 PolarHBondContact O-N 3.34Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CD1-CB 4Å; I200-D202 HydrophobicContact CG1-CB 3.79Å; I200-D202 PolarHBondContact O-N 3.04Å; I200-Y209 HydrophobicContact CD1-CD2 4.33Å; I200-I210 HydrophobicContact CD1-CD1 3.87Å; I200-I210 HydrophobicContact CD1-CG1 4.19Å; I200-W220 HydrophobicContact CD1-CH2 3.91Å; I200-W220 HydrophobicContact CD1-CZ3 3.91Å
201G91.4Very high91.8Very high58 Ų5860 Ų6060%0.59831%0.307SS*.THydrogen-bonded Turntrans69.326.3-178.400000114.6R197 K198 K199R197-G201 PolarHBondContact O-N 3.32Å; R197-G201 VanDerWaalsContact O-N 3.08Å; K198-G201 PolarHBondContact O-N 2.98Å; K199-G201 VanDerWaalsContact C-N 3.35Å
202D90.7Very high91.7Very high3 Ų360.8 Ų60.82%0.01631%0.312CS..  trans-88.8108.3178.2-164.835.7000110.3R197 I200 P204 P207 K208 Y209 I210R197-D202 HydrophobicContact CB-CB 4.11Å; R197-D202 WeakPolarHBondContact CB-O 3.31Å; R197-D202 HydrophobicContact CG-CB 4Å; R197-D202 IonicContact NE-OD2 2.88Å; R197-D202 PolarHBondContact O-N 2.81Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CD1-CB 4Å; I200-D202 HydrophobicContact CG1-CB 3.79Å; I200-D202 PolarHBondContact O-N 3.04Å; D202-P204 WeakPolarHBondContact O-CD 3.45Å; D202-P207 WeakPolarHBondContact OD1-CA 3.36Å; D202-K208 WeakPolarHBondContact OD1-CA 3.46Å; D202-K208 PolarHBondContact OD1-N 3.13Å; D202-Y209 HydrophobicContact CB-CD2 4.04Å; D202-Y209 PolarHBondContact OD1-N 3.1Å; D202-I210 PolarHBondContact OD2-N 2.81Å
203D87Confident91.5Very high73 Ų7362.2 Ų62.239%0.3932%0.321SS..  trans-60.2120.3-179.5176.411.6000110.8S205 H206 P207D203-S205 PolarHBondContact O-N 2.78Å; D203-S205 WeakPolarHBondContact OD1-CB 3.5Å; D203-S205 PolarHBondContact OD1-N 3.4Å; D203-H206 CarbonylContact O-C 3.51Å; D203-H206 PolarHBondContact O-N 2.91Å; D203-H206 IonicContact OD2-CG 2.88Å; D203-H206 PolarHBondContact OD2-N 3.49Å; D203-H206 IonicContact OD2-ND1 3.34Å; D203-H206 PolarHBondContact OD2-ND1 2.92Å; D203-H206 VanDerWaalsContact OD2-ND1 3.13Å; D203-P207 WeakPolarHBondContact O-CA 3.37Å; D203-P207 WeakPolarHBondContact O-CD 3.48Å
204P80.1Confident91.1Very high86 Ų8672.2 Ų72.256%0.55836%0.36SS*.SBendtrans-58.9-28.7175.5-23.934.7000114.4D202D202-P204 WeakPolarHBondContact O-CD 3.45Å
205S83.7Confident90.8Very high96 Ų9671.3 Ų71.367%0.67138%0.38SS*.SBendtrans-79.2-33179.1-680000112.3D203D203-S205 PolarHBondContact O-N 2.78Å; D203-S205 WeakPolarHBondContact OD1-CB 3.5Å; D203-S205 PolarHBondContact OD1-N 3.4Å
206H84.4Confident90.5Very high148 Ų14868 Ų6869%0.68537%0.373SS*.SBendtrans-133.167.8176.4-55.992.1000110.9D203 K208D203-H206 CarbonylContact O-C 3.51Å; D203-H206 PolarHBondContact O-N 2.91Å; D203-H206 IonicContact OD2-CG 2.88Å; D203-H206 PolarHBondContact OD2-N 3.49Å; D203-H206 IonicContact OD2-ND1 3.34Å; D203-H206 PolarHBondContact OD2-ND1 2.92Å; D203-H206 VanDerWaalsContact OD2-ND1 3.13Å; H206-K208 PolarHBondContact O-N 3.12Å
207P86.3Confident90.4Very high23 Ų2368.1 Ų68.115%0.14937%0.374CS..  trans-63.5118.1-171.822-31.7000109.2D202 D203 I210 K211D202-P207 WeakPolarHBondContact OD1-CA 3.36Å; D203-P207 WeakPolarHBondContact O-CA 3.37Å; D203-P207 WeakPolarHBondContact O-CD 3.48Å; P207-I210 WeakPolarHBondContact CB-O 3.41Å; P207-K211 HydrophobicContact CB-CD 4.35Å; P207-K211 HydrophobicContact CG-CD 4.06Å; P207-K211 WeakPolarHBondContact O-CD 3.48Å; P207-K211 WeakPolarHBondContact O-CE 3.38Å; P207-K211 PolarHBondContact O-NZ 3.5Å
208K89.7Confident90.3Very high100 Ų10068 Ų6844%0.43537%0.374SS..SBendtrans-79.8-40.5175-171.3-177.6-178.2-162.90110.5D128 D202 H206 S221D128-K208 IonicContact OD1-NZ 2.61Å; D128-K208 VanDerWaalsContact OD2-CE 3.29Å; D128-K208 WeakPolarHBondContact OD2-CE 3.37Å; D128-K208 IonicContact OD2-NZ 3.76Å; D128-K208 PolarHBondContact OD2-NZ 3.02Å; D202-K208 WeakPolarHBondContact OD1-CA 3.46Å; D202-K208 PolarHBondContact OD1-N 3.13Å; H206-K208 PolarHBondContact O-N 3.12Å; K208-S221 VanDerWaalsContact O-CB 3.25Å; K208-S221 WeakPolarHBondContact O-CB 3.32Å
209Y93.4Very high90.2Very high3 Ų360 Ų601%0.01234%0.341CS..SBendtrans-104.8-61.6-170.2-54.3-65.6000112.7I127 D128 H129 L130 I200 D202 K211 W220 S221 I223I127-Y209 HydrophobicContact CG2-CD1 4.43Å; I127-Y209 HydrophobicContact CG2-CE1 4.12Å; D128-Y209 WeakPolarHBondContact OD2-CE1 3.32Å; D128-Y209 PolarHBondContact OD2-OH 3.43Å; H129-Y209 PolarHBondContact CE1-OH 3.37Å; L130-Y209 HydrophobicContact CD1-CD1 4.19Å; L130-Y209 HydrophobicContact CD1-CD2 3.95Å; L130-Y209 HydrophobicContact CD1-CE1 3.95Å; L130-Y209 HydrophobicContact CD1-CE2 3.69Å; L130-Y209 HydrophobicContact CD1-CG 4.18Å; L130-Y209 HydrophobicContact CG-CE2 4.45Å; I200-Y209 HydrophobicContact CD1-CD2 4.33Å; D202-Y209 HydrophobicContact CB-CD2 4.04Å; D202-Y209 PolarHBondContact OD1-N 3.1Å; Y209-K211 PolarHBondContact O-N 2.95Å; Y209-W220 HydrophobicContact CD1-CH2 4.41Å; Y209-W220 AromaticContact CD1-CZ2 3.81Å; Y209-W220 HydrophobicContact CD1-CZ2 3.81Å; Y209-W220 HydrophobicContact CG-CH2 4.07Å; Y209-W220 AromaticContact CG-CZ2 3.91Å; Y209-W220 HydrophobicContact CG-CZ2 3.91Å; Y209-W220 CarbonylContact O-C 3.52Å; Y209-W220 WeakPolarHBondContact O-CA 3.39Å; Y209-S221 PolarHBondContact O-N 3.37Å; Y209-I223 HydrophobicContact CD1-CD1 4.34Å; Y209-I223 HydrophobicContact CE1-CD1 3.98Å
210I95.2Very high90.1Very high0 Ų056.4 Ų56.40%033%0.325CS..EExtended strand (participates in β ladder)trans-93.5103.2-175.2-57.1175.5000108.4L159 I193 L196 R197 I200 D202 P207 Y218 S219 W220L159-I210 HydrophobicContact CD1-CD1 4.28Å; L159-I210 HydrophobicContact CD1-CG1 4.35Å; L159-I210 HydrophobicContact CD1-CG2 4.24Å; I193-I210 HydrophobicContact CD1-CG2 3.85Å; I193-I210 HydrophobicContact CG2-CG2 4.4Å; L196-I210 HydrophobicContact CD2-CD1 3.67Å; L196-I210 HydrophobicContact CG-CD1 3.88Å; R197-I210 HydrophobicContact CG-CB 4.31Å; R197-I210 HydrophobicContact CG-CD1 4.17Å; R197-I210 PolarHBondContact NE-O 3.08Å; R197-I210 PolarHBondContact NH2-O 3.44Å; I200-I210 HydrophobicContact CD1-CD1 3.87Å; I200-I210 HydrophobicContact CD1-CG1 4.19Å; D202-I210 PolarHBondContact OD2-N 2.81Å; P207-I210 WeakPolarHBondContact CB-O 3.41Å; I210-Y218 HydrophobicContact CG2-CD1 4.38Å; I210-S219 CarbonylContact C-O 3.59Å; I210-W220 HydrophobicContact CD1-CZ3 4.29Å; I210-W220 HydrophobicContact CG1-CE3 3.83Å; I210-W220 HydrophobicContact CG1-CZ3 3.78Å
211K92.8Very high89.7Confident81 Ų8158.1 Ų58.135%0.35234%0.337SS..EExtended strand (participates in β ladder)trans-87.6136.6178.3-62.9-65.4-169172.20110.9P207 Y209 Y218 S219P207-K211 HydrophobicContact CB-CD 4.35Å; P207-K211 HydrophobicContact CG-CD 4.06Å; P207-K211 WeakPolarHBondContact O-CD 3.48Å; P207-K211 WeakPolarHBondContact O-CE 3.38Å; P207-K211 PolarHBondContact O-NZ 3.5Å; Y209-K211 PolarHBondContact O-N 2.95Å; K211-Y218 WeakPolarHBondContact O-CA 3.06Å; K211-S219 PolarHBondContact N-O 2.88Å; K211-S219 PolarHBondContact O-N 2.75Å
212T93.3Very high88.5Confident55 Ų5559 Ų5934%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-85.3127.7167.8-54.10000108.6R197 Y218R197-T212 PolarHBondContact NH2-OG1 2.98Å; T212-Y218 HydrophobicContact CG2-CE1 4.17Å
213V90.2Very high86.7Confident41 Ų4161.3 Ų61.325%0.24834%0.342CS..EExtended strand (participates in β ladder)trans-105.9101.7169.3-1740000107.3T166 G215 I216 G217T166-V213 HydrophobicContact CG2-CB 3.7Å; T166-V213 HydrophobicContact CG2-CG1 4.04Å; T166-V213 HydrophobicContact CG2-CG2 3.65Å; V213-G215 PolarHBondContact O-N 3.4Å; V213-I216 HydrophobicContact CB-CB 4.32Å; V213-I216 HydrophobicContact CG1-CB 3.96Å; V213-I216 HydrophobicContact CG1-CD1 3.84Å; V213-I216 HydrophobicContact CG1-CG1 4.15Å; V213-I216 PolarHBondContact O-N 2.8Å; V213-G217 PolarHBondContact N-O 3.11Å; V213-G217 PolarHBondContact O-N 3.14Å
214Y88.7Confident84.3Confident210 Ų21061.8 Ų61.882%0.82435%0.351SS*.THydrogen-bonded Turntrans-51.5132.9-173.3-69.3-78.2000112.1I216Y214-I216 PolarHBondContact O-N 2.71Å; Y214-I216 VanDerWaalsContact O-N 3.16Å
215G88.7Confident82.1Confident90 Ų9063 Ų6393%0.92835%0.352SS*.THydrogen-bonded Turntrans72.5-5.8-178.500000115.7V213V213-G215 PolarHBondContact O-N 3.4Å
216I89Confident79.8Confident85 Ų8564.4 Ų64.444%0.43635%0.351SS..THydrogen-bonded Turntrans-118.9-56.9-174.2-53.1-177.8000111.3T166 K168 R169 V213 Y214T166-I216 HydrophobicContact CG2-CB 4.16Å; T166-I216 HydrophobicContact CG2-CG2 3.57Å; K168-I216 WeakPolarHBondContact CA-O 3.47Å; K168-I216 HydrophobicContact CG-CG2 4.36Å; R169-I216 PolarHBondContact N-O 2.93Å; V213-I216 HydrophobicContact CB-CB 4.32Å; V213-I216 HydrophobicContact CG1-CB 3.96Å; V213-I216 HydrophobicContact CG1-CD1 3.84Å; V213-I216 HydrophobicContact CG1-CG1 4.15Å; V213-I216 PolarHBondContact O-N 2.8Å; Y214-I216 PolarHBondContact O-N 2.71Å; Y214-I216 VanDerWaalsContact O-N 3.16Å
217G93.9Very high77.2Confident2 Ų266.7 Ų66.72%0.02136%0.355CS..EExtended strand (participates in β ladder)trans157.8-133.7-176.600000113.8L167 V213L167-G217 WeakPolarHBondContact O-CA 3.45Å; V213-G217 PolarHBondContact N-O 3.11Å; V213-G217 PolarHBondContact O-N 3.14Å
218Y94.8Very high75Confident15 Ų1568 Ų686%0.05936%0.358CS..EExtended strand (participates in β ladder)trans-135.4148.7-170.5-56.8-84.6000111.7L167 R169 L172 L189 I193 I210 K211 T212L167-Y218 PolarHBondContact N-O 3.34Å; L167-Y218 PolarHBondContact O-N 3.19Å; R169-Y218 HydrophobicContact CG-CE2 4.39Å; R169-Y218 PolarHBondContact NH1-OH 3.19Å; L172-Y218 HydrophobicContact CD1-CD2 3.73Å; L172-Y218 HydrophobicContact CD1-CG 4.43Å; L189-Y218 HydrophobicContact CD2-CD2 4.08Å; L189-Y218 HydrophobicContact CD2-CE2 3.68Å; L189-Y218 HydrophobicContact CG-CD2 4.42Å; L189-Y218 HydrophobicContact CG-CE2 3.87Å; I193-Y218 HydrophobicContact CB-CE1 4.35Å; I193-Y218 HydrophobicContact CD1-CD1 3.84Å; I193-Y218 HydrophobicContact CD1-CD2 4.06Å; I193-Y218 HydrophobicContact CD1-CE1 4.18Å; I193-Y218 HydrophobicContact CD1-CE2 4.38Å; I193-Y218 HydrophobicContact CD1-CG 3.78Å; I193-Y218 HydrophobicContact CG1-CD1 4.15Å; I193-Y218 HydrophobicContact CG1-CD2 4.17Å; I193-Y218 HydrophobicContact CG1-CE1 3.96Å; I193-Y218 HydrophobicContact CG1-CE2 3.98Å; I193-Y218 HydrophobicContact CG1-CG 4.25Å; I193-Y218 HydrophobicContact CG2-CD1 4.24Å; I193-Y218 HydrophobicContact CG2-CE1 3.84Å; I210-Y218 HydrophobicContact CG2-CD1 4.38Å; K211-Y218 WeakPolarHBondContact O-CA 3.06Å; T212-Y218 HydrophobicContact CG2-CE1 4.17Å
219S91.3Very high72.5Confident15 Ų1571 Ų7111%0.10537%0.366CS..EExtended strand (participates in β ladder)trans-134.7152.5172.762.30000110.6A165 I210 K211A165-S219 WeakPolarHBondContact O-CB 3.34Å; I210-S219 CarbonylContact C-O 3.59Å; K211-S219 PolarHBondContact N-O 2.88Å; K211-S219 PolarHBondContact O-N 2.75Å
220W93.6Very high69.9Low1 Ų182.2 Ų82.20%0.00441%0.409CS..EExtended strand (participates in β ladder)trans-87126.9163.6-169.7-81.9000109.1I127 L130 F132 L156 L159 L160 Q163 G164 I200 Y209 I210 T222I127-W220 HydrophobicContact CD1-CZ2 3.74Å; L130-W220 HydrophobicContact CD1-CH2 3.99Å; L130-W220 HydrophobicContact CD1-CZ2 4.11Å; F132-W220 HydrophobicContact CE2-CH2 4.1Å; L156-W220 HydrophobicContact CD1-CE3 4.23Å; L156-W220 HydrophobicContact CD1-CH2 4.05Å; L156-W220 HydrophobicContact CD1-CZ3 3.5Å; L156-W220 VanDerWaalsContact CD1-CZ3 3.5Å; L159-W220 HydrophobicContact CB-CB 4.25Å; L159-W220 HydrophobicContact CB-CE3 4.41Å; L159-W220 WeakPolarHBondContact O-CB 3.48Å; L160-W220 HydrophobicContact CD2-CD2 3.75Å; L160-W220 HydrophobicContact CD2-CE3 4.1Å; L160-W220 HydrophobicContact CD2-CG 4.25Å; L160-W220 HydrophobicContact CD2-CH2 4.15Å; L160-W220 HydrophobicContact CD2-CZ2 3.8Å; L160-W220 HydrophobicContact CD2-CZ3 4.3Å; Q163-W220 HydrophobicContact CG-CB 4.06Å; Q163-W220 HydrophobicContact CG-CG 4Å; G164-W220 PolarHBondContact N-O 2.81Å; I200-W220 HydrophobicContact CD1-CH2 3.91Å; I200-W220 HydrophobicContact CD1-CZ3 3.91Å; Y209-W220 HydrophobicContact CD1-CH2 4.41Å; Y209-W220 AromaticContact CD1-CZ2 3.81Å; Y209-W220 HydrophobicContact CD1-CZ2 3.81Å; Y209-W220 HydrophobicContact CG-CH2 4.07Å; Y209-W220 AromaticContact CG-CZ2 3.91Å; Y209-W220 HydrophobicContact CG-CZ2 3.91Å; Y209-W220 CarbonylContact O-C 3.52Å; Y209-W220 WeakPolarHBondContact O-CA 3.39Å; I210-W220 HydrophobicContact CD1-CZ3 4.29Å; I210-W220 HydrophobicContact CG1-CE3 3.83Å; I210-W220 HydrophobicContact CG1-CZ3 3.78Å; W220-T222 PolarHBondContact O-N 2.83Å
221S85.3Confident67.1Low35 Ų3589.6 Ų89.625%0.24544%0.441CS..  trans-66.6125.6-178.1-1670000110.6K208 Y209 I223K208-S221 VanDerWaalsContact O-CB 3.25Å; K208-S221 WeakPolarHBondContact O-CB 3.32Å; Y209-S221 PolarHBondContact O-N 3.37Å; S221-I223 PolarHBondContact O-N 3.28Å; S221-I223 VanDerWaalsContact O-N 3.11Å
222T67.2Low64.8Low76 Ų7689.1 Ų89.147%0.46644%0.44SS..  trans-73.599.5169.8-47.90000108.2G164 W220 C224G164-T222 VanDerWaalsContact CA-OG1 3.22Å; G164-T222 WeakPolarHBondContact CA-OG1 3.38Å; G164-T222 PolarHBondContact N-OG1 2.99Å; W220-T222 PolarHBondContact O-N 2.83Å; T222-C224 PolarHBondContact O-N 2.9Å
223I52.2Low62.6Low52 Ų5294.1 Ų94.127%0.26746%0.457SS..  trans-67124.4165.7-65.1172.7000106.6I127 D128 Y209 S221 L225I127-I223 HydrophobicContact CG2-CD1 4.25Å; D128-I223 WeakPolarHBondContact OD2-CD1 3.33Å; Y209-I223 HydrophobicContact CD1-CD1 4.34Å; Y209-I223 HydrophobicContact CE1-CD1 3.98Å; S221-I223 PolarHBondContact O-N 3.28Å; S221-I223 VanDerWaalsContact O-N 3.11Å; I223-L225 PolarHBondContact O-N 3.46Å; I223-L225 VanDerWaalsContact O-N 3.15Å
224C36.8Very low60.5Low83 Ų83102.4 Ų102.456%0.56148%0.484SS*.  trans-43.4117.5-179.4-168.90000111.7T222 I226T222-C224 PolarHBondContact O-N 2.9Å; C224-I226 PolarHBondContact O-N 3.39Å
225L34.3Very low58.7Low113 Ų11394.6 Ų94.659%0.59246%0.458SS*.G310 helixtrans-61.6-13-173.9-86.9159.6000114.6I223 Y227 F228I223-L225 PolarHBondContact O-N 3.46Å; I223-L225 VanDerWaalsContact O-N 3.15Å; L225-Y227 PolarHBondContact O-N 3.25Å; L225-Y227 VanDerWaalsContact O-N 3.16Å; L225-F228 HydrophobicContact CD2-CB 4.16Å; L225-F228 HydrophobicContact CD2-CD1 4.49Å; L225-F228 HydrophobicContact CD2-CG 4.44Å; L225-F228 WeakPolarHBondContact O-CB 3.42Å; L225-F228 PolarHBondContact O-N 2.93Å
226I34.4Very low56.8Low124 Ų12493.3 Ų93.364%0.63643%0.429SS*.G310 helixtrans-58.7-30.7-178.5-59.1175000111.7C224C224-I226 PolarHBondContact O-N 3.39Å
227Y30.2Very low55.1Low197 Ų19793 Ų9377%0.77343%0.429SS*.G310 helixtrans-87.9-11.3179.3-123.6-92.4000114.5L225L225-Y227 PolarHBondContact O-N 3.25Å; L225-Y227 VanDerWaalsContact O-N 3.16Å
228F39Very low53.2Low50 Ų5095.4 Ų95.422%0.21945%0.445CS..THydrogen-bonded Turntrans-83.6-36.4-160.8-141.7-108.1000114.3V126 I127 L225 R230 K231 Q232V126-F228 WeakPolarHBondContact O-CE1 3.33Å; V126-F228 WeakPolarHBondContact O-CZ 3.48Å; I127-F228 HydrophobicContact CG1-CZ 4.36Å; L225-F228 HydrophobicContact CD2-CB 4.16Å; L225-F228 HydrophobicContact CD2-CD1 4.49Å; L225-F228 HydrophobicContact CD2-CG 4.44Å; L225-F228 WeakPolarHBondContact O-CB 3.42Å; L225-F228 PolarHBondContact O-N 2.93Å; F228-R230 VanDerWaalsContact C-N 3.3Å; F228-R230 PolarHBondContact O-N 2.92Å; F228-K231 PolarHBondContact O-N 3.31Å; F228-Q232 HydrophobicContact CD1-CG 4.18Å; F228-Q232 HydrophobicContact CE1-CG 4.25Å
229R39Very low50.9Low162 Ų16295.8 Ų95.861%0.61145%0.448SS*.THydrogen-bonded Turntrans-68.6-22.7-174.6-86.6-171.2168.6161.45.2114.5
230R37.7Very low49Very low240 Ų240101.1 Ų101.191%0.90647%0.471SS*.THydrogen-bonded Turntrans-79.3-20.8178.4-84-175.9170.3166.6-1.9114.2F228F228-R230 VanDerWaalsContact C-N 3.3Å; F228-R230 PolarHBondContact O-N 2.92Å
231K37Very low46.9Very low154 Ų154108.1 Ų108.167%0.6750%0.504SS*.THydrogen-bonded Turntrans-104-23.3-173.8-101.5-173.9175.1-174.60115.7F228 K233 R234F228-K231 PolarHBondContact O-N 3.31Å; K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 2.88Å; K231-R234 PolarHBondContact O-N 2.93Å
232Q43.8Very low45.1Very low71 Ų71110.9 Ų110.933%0.33251%0.514SS..Hα-helixtrans-60.6-35.6-175.3-91.6-163.9-22.600114.4F228 R234 V235 I236F228-Q232 HydrophobicContact CD1-CG 4.18Å; F228-Q232 HydrophobicContact CE1-CG 4.25Å; Q232-R234 PolarHBondContact O-N 3.46Å; Q232-V235 PolarHBondContact O-N 3.4Å; Q232-I236 HydrophobicContact CB-CD1 4.23Å; Q232-I236 HydrophobicContact CG-CD1 4.47Å; Q232-I236 WeakPolarHBondContact O-CB 3.33Å; Q232-I236 VanDerWaalsContact O-CG1 3.31Å; Q232-I236 WeakPolarHBondContact O-CG1 3.49Å; Q232-I236 PolarHBondContact O-N 2.85Å; Q232-I236 VanDerWaalsContact O-N 3.07Å
233K47.3Very low43.8Very low161 Ų161112.1 Ų112.170%0.752%0.521SS*.Hα-helixtrans-63.7-43.9-176.9-160.1167.5-176.5179.20112.1K231 V235 D237K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 2.88Å; K233-V235 PolarHBondContact O-N 3.46Å; K233-D237 WeakPolarHBondContact O-CB 3.36Å; K233-D237 PolarHBondContact O-N 3.25Å; K233-D237 VanDerWaalsContact O-OD2 3.08Å
234R46.4Very low43.6Very low214 Ų214114 Ų11481%0.80855%0.545SS*.Hα-helixtrans-69.3-35.7-179.2-71.5-171-164.2175.83.7114K231 Q232 S238K231-R234 PolarHBondContact O-N 2.93Å; Q232-R234 PolarHBondContact O-N 3.46Å; R234-S238 PolarHBondContact O-N 2.82Å; R234-S238 PolarHBondContact O-OG 3.14Å
235V51.2Low43.8Very low46 Ų46116.6 Ų116.628%0.27957%0.572SS.*Hα-helixtrans-80.7-36.2-175.7179.70000111.4V126 Q232 K233 S238 L239V126-V235 HydrophobicContact CG1-CG1 4.07Å; Q232-V235 PolarHBondContact O-N 3.4Å; K233-V235 PolarHBondContact O-N 3.46Å; V235-S238 PolarHBondContact O-OG 3.01Å; V235-L239 HydrophobicContact CG1-CD1 3.66Å; V235-L239 HydrophobicContact CG1-CG 4.41Å; V235-L239 WeakPolarHBondContact O-CB 3.17Å; V235-L239 VanDerWaalsContact O-CD1 3.29Å; V235-L239 WeakPolarHBondContact O-CD1 3.2Å; V235-L239 WeakPolarHBondContact O-CG 3.49Å; V235-L239 PolarHBondContact O-N 2.64Å; V235-L239 VanDerWaalsContact O-N 3.09Å
236I48.7Very low44.2Very low63 Ų63116.8 Ų116.832%0.32357%0.571SS.*Hα-helixtrans-68.5-42.9176.2-65.4169.6000110.3V126 Q232 S238 L239 Q240V126-I236 HydrophobicContact CG2-CG1 4.47Å; Q232-I236 HydrophobicContact CB-CD1 4.23Å; Q232-I236 HydrophobicContact CG-CD1 4.47Å; Q232-I236 WeakPolarHBondContact O-CB 3.33Å; Q232-I236 VanDerWaalsContact O-CG1 3.31Å; Q232-I236 WeakPolarHBondContact O-CG1 3.49Å; Q232-I236 PolarHBondContact O-N 2.85Å; Q232-I236 VanDerWaalsContact O-N 3.07Å; I236-S238 PolarHBondContact O-N 3.18Å; I236-L239 PolarHBondContact O-N 3.38Å; I236-Q240 HydrophobicContact CG2-CG 4.41Å; I236-Q240 WeakPolarHBondContact O-CG 3.38Å; I236-Q240 PolarHBondContact O-N 3.46Å
237D53Low44.8Very low80 Ų80116.4 Ų116.443%0.42857%0.568SS.*Hα-helixtrans-61.5-43.2178.4-64.6-12.6000110.9K233 L239 Q240 E241K233-D237 WeakPolarHBondContact O-CB 3.36Å; K233-D237 PolarHBondContact O-N 3.25Å; K233-D237 VanDerWaalsContact O-OD2 3.08Å; D237-L239 PolarHBondContact O-N 3.49Å; D237-Q240 PolarHBondContact O-N 2.68Å; D237-E241 PolarHBondContact O-N 2.75Å
238S53.6Low45.6Very low52 Ų52111.9 Ų111.936%0.36456%0.556SS.*Hα-helixtrans-68.9-31.4177.463.20000113.8R234 V235 I236 M242R234-S238 PolarHBondContact O-N 2.82Å; R234-S238 PolarHBondContact O-OG 3.14Å; V235-S238 PolarHBondContact O-OG 3.01Å; I236-S238 PolarHBondContact O-N 3.18Å; S238-M242 WeakPolarHBondContact O-CG 3.42Å; S238-M242 PolarHBondContact O-N 3.24Å
239L46.8Very low45.9Very low22 Ų22115.6 Ų115.612%0.11558%0.576CS.*Hα-helixtrans-80.2-30.1178.9-71.2164.4000112.6V131 V235 I236 D237 E241 M242 V243V131-L239 HydrophobicContact CB-CD1 4.33Å; V131-L239 HydrophobicContact CG1-CD1 4.04Å; V131-L239 HydrophobicContact CG2-CD1 3.46Å; V131-L239 VanDerWaalsContact CG2-CD1 3.46Å; V235-L239 HydrophobicContact CG1-CD1 3.66Å; V235-L239 HydrophobicContact CG1-CG 4.41Å; V235-L239 WeakPolarHBondContact O-CB 3.17Å; V235-L239 VanDerWaalsContact O-CD1 3.29Å; V235-L239 WeakPolarHBondContact O-CD1 3.2Å; V235-L239 WeakPolarHBondContact O-CG 3.49Å; V235-L239 PolarHBondContact O-N 2.64Å; V235-L239 VanDerWaalsContact O-N 3.09Å; I236-L239 PolarHBondContact O-N 3.38Å; D237-L239 PolarHBondContact O-N 3.49Å; L239-E241 VanDerWaalsContact C-N 3.28Å; L239-M242 HydrophobicContact CD2-SD 4.33Å; L239-M242 PolarHBondContact O-N 3.5Å; L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 3.14Å
240Q50.5Low46.4Very low128 Ų128112.7 Ų112.760%0.59857%0.574SS**Hα-helixtrans-63.5-36.5171.1-77.2-175.8-33.900111.4I236 D237 A244I236-Q240 HydrophobicContact CG2-CG 4.41Å; I236-Q240 WeakPolarHBondContact O-CG 3.38Å; I236-Q240 PolarHBondContact O-N 3.46Å; D237-Q240 PolarHBondContact O-N 2.68Å; Q240-A244 WeakPolarHBondContact O-CB 3.26Å; Q240-A244 PolarHBondContact O-N 2.96Å; Q240-A244 VanDerWaalsContact O-N 3.12Å
241E51.3Low47Very low148 Ų148104.2 Ų104.269%0.69255%0.552SS**Hα-helixtrans-65.5-37.1172.2-71.2-180170.300112.4D237 L239 A245D237-E241 PolarHBondContact O-N 2.75Å; L239-E241 VanDerWaalsContact C-N 3.28Å; E241-A245 PolarHBondContact O-N 2.91Å
242M46.6Very low47.7Very low93 Ų93100.6 Ų100.646%0.45854%0.543SS..Hα-helixtrans-74.8-28.6179.2-69.1-178.882.500114.4S238 L239S238-M242 WeakPolarHBondContact O-CG 3.42Å; S238-M242 PolarHBondContact O-N 3.24Å; L239-M242 HydrophobicContact CD2-SD 4.33Å; L239-M242 PolarHBondContact O-N 3.5Å
243V39.6Very low48Very low101 Ų101102.9 Ų102.961%0.61256%0.56SS**Hα-helixtrans-85.6-20.2176.6177.60000111.6L239L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 3.14Å
244A47.5Very low48Very low92 Ų9298.1 Ų98.176%0.7655%0.548SS*.Hα-helixtrans-87.4-10.4176.400000114.2Q240Q240-A244 WeakPolarHBondContact O-CB 3.26Å; Q240-A244 PolarHBondContact O-N 2.96Å; Q240-A244 VanDerWaalsContact O-N 3.12Å
245A41Very low48.2Very low138 Ų13887.5 Ų87.5100%1.14152%0.524SS*.  trans-93.70175.300000111.6E241E241-A245 PolarHBondContact O-N 2.91Å

Retrieved 245 of 245 residues in 178.6 ms (Link to these results)

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