A0A087YHE4_POEFO Loading...

SEC22 homolog B, vesicle trafficking protein b

SNARE involved in targeting and fusion of ER-derived transport vesicles with the Golgi complex as well as Golgi-derived retrograde transport vesicles with the ER.

AlphaFold DB , UniProt , Accession A0A087YHE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M81Confident91Very high92 Ų9225.4 Ų25.445%0.45315%0.152SC..  0160.3056.6-177.376.400110L3 S79 E80M1-L3 HydrophobicContact CG-CD1 4.45Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact CG-CG 4.24Å; M1-L3 HydrophobicContact SD-CD2 4.38Å; M1-S79 WeakPolarHBondContact O-CA 3.23Å; M1-S79 WeakPolarHBondContact O-CB 3.34Å; M1-E80 WeakPolarHBondContact CE-OE1 3.48Å; M1-E80 HydrophobicContact CG-CG 3.96Å; M1-E80 VanDerWaalsContact N-CD 3.33Å; M1-E80 PolarHBondContact N-OE2 2.78Å; M1-E80 PolarHBondContact O-N 3.34Å; M1-E80 VanDerWaalsContact O-N 3.08Å
2L82.9Confident90.9Very high4 Ų430.8 Ų30.82%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-95124.3174-58.9170.7000109.3V77 F83 Y91 K127 I131L2-V77 HydrophobicContact CB-CG2 4.27Å; L2-V77 HydrophobicContact CD2-CG2 3.57Å; L2-V77 HydrophobicContact CG-CG2 4.35Å; L2-F83 HydrophobicContact CD1-CE1 4.48Å; L2-F83 HydrophobicContact CD1-CZ 4.15Å; L2-F83 HydrophobicContact CD2-CD1 3.88Å; L2-F83 HydrophobicContact CD2-CE1 3.61Å; L2-F83 HydrophobicContact CD2-CE2 4.48Å; L2-F83 HydrophobicContact CD2-CG 4.43Å; L2-F83 HydrophobicContact CD2-CZ 3.94Å; L2-F83 HydrophobicContact CG-CE1 4.14Å; L2-F83 HydrophobicContact CG-CE2 4.27Å; L2-F83 HydrophobicContact CG-CZ 3.92Å; L2-Y91 HydrophobicContact CD1-CD1 4.18Å; L2-Y91 HydrophobicContact CD1-CE1 4.32Å; L2-Y91 HydrophobicContact CD1-CG 4.25Å; L2-K127 HydrophobicContact CB-CD 4.44Å; L2-K127 HydrophobicContact CB-CG 4.25Å; L2-K127 HydrophobicContact CD1-CG 4.17Å; L2-I131 HydrophobicContact CB-CD1 4.14Å; L2-I131 HydrophobicContact CB-CG1 4.43Å; L2-I131 HydrophobicContact CD1-CG1 4.25Å; L2-I131 HydrophobicContact CG-CG1 4.35Å
3L83.7Confident90.8Very high28 Ų2829.4 Ų29.415%0.14718%0.176CC..EExtended strand (participates in β ladder)trans-105.8-49.4-169.5-67.9131.7000112.1M1 L34 M63 L78M1-L3 HydrophobicContact CG-CD1 4.45Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact CG-CG 4.24Å; M1-L3 HydrophobicContact SD-CD2 4.38Å; L3-L34 HydrophobicContact CB-CD1 4.38Å; L3-M63 HydrophobicContact CD1-CE 3.78Å; L3-M63 HydrophobicContact CD1-SD 3.49Å; L3-M63 WeakPolarHBondContact CD1-SD 3.49Å; L3-L78 HydrophobicContact CB-CD2 4.17Å; L3-L78 HydrophobicContact CD1-CD2 4.41Å; L3-L78 HydrophobicContact CD1-CG 4.43Å; L3-L78 PolarHBondContact N-O 2.84Å
4L88.1Confident90.9Very high2 Ų228.5 Ų28.51%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-130.2139.4-174167.970.1000109.5M6 M20 L34 Q38 A41 V77 L78L4-M6 HydrophobicContact CD1-CG 3.75Å; L4-M6 HydrophobicContact CD1-SD 4.15Å; L4-M6 HydrophobicContact CD2-CG 4.31Å; L4-M6 HydrophobicContact CD2-SD 3.99Å; L4-M6 HydrophobicContact CG-CG 4.01Å; L4-M6 HydrophobicContact CG-SD 4.34Å; L4-M20 HydrophobicContact CD1-CE 3.57Å; L4-M20 HydrophobicContact CD1-CG 3.39Å; L4-M20 HydrophobicContact CD1-SD 4.3Å; L4-L34 HydrophobicContact CB-CD1 4.27Å; L4-Q38 HydrophobicContact CD1-CG 4.31Å; L4-Q38 HydrophobicContact CD2-CG 3.92Å; L4-A41 HydrophobicContact CD2-CB 4.41Å; L4-V77 CarbonylContact O-C 3.56Å; L4-V77 VanDerWaalsContact O-CA 3.31Å; L4-V77 WeakPolarHBondContact O-CA 3.48Å; L4-V77 WeakPolarHBondContact O-CG2 3.37Å; L4-L78 HydrophobicContact CB-CB 3.86Å; L4-L78 HydrophobicContact CB-CD2 4.27Å; L4-L78 PolarHBondContact O-N 3.36Å
5T94.1Very high91Very high1 Ų128.2 Ų28.21%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-130.5133.8168.7-54.60000109.1A18 S19 L76 Y91 L95 I123T5-A18 CarbonylContact O-C 3.58Å; T5-A18 VanDerWaalsContact O-CA 3.23Å; T5-A18 WeakPolarHBondContact O-CA 3.4Å; T5-A18 WeakPolarHBondContact O-CB 3.4Å; T5-S19 PolarHBondContact N-O 2.75Å; T5-S19 PolarHBondContact O-N 3.11Å; T5-L76 CarbonylContact C-O 3.45Å; T5-L76 WeakPolarHBondContact CA-O 3.42Å; T5-Y91 HydrophobicContact CG2-CE1 4.06Å; T5-Y91 WeakPolarHBondContact CG2-OH 3.48Å; T5-Y91 PolarHBondContact OG1-OH 3.38Å; T5-L95 HydrophobicContact CG2-CD1 3.64Å; T5-I123 HydrophobicContact CG2-CG2 3.88Å
6M95.1Very high91.2Very high2 Ų226.4 Ų26.41%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-137.5140.5178.9-62.8-175.672.100109.9L4 A18 A41 K42 F45 L76L4-M6 HydrophobicContact CD1-CG 3.75Å; L4-M6 HydrophobicContact CD1-SD 4.15Å; L4-M6 HydrophobicContact CD2-CG 4.31Å; L4-M6 HydrophobicContact CD2-SD 3.99Å; L4-M6 HydrophobicContact CG-CG 4.01Å; L4-M6 HydrophobicContact CG-SD 4.34Å; M6-A18 HydrophobicContact CG-CB 4Å; M6-A41 HydrophobicContact SD-CB 3.7Å; M6-K42 HydrophobicContact CE-CG 4.4Å; M6-F45 HydrophobicContact CB-CE2 3.75Å; M6-F45 HydrophobicContact CB-CZ 3.75Å; M6-F45 HydrophobicContact CE-CE2 3.94Å; M6-F45 HydrophobicContact SD-CE2 4.14Å; M6-L76 PolarHBondContact N-O 2.83Å; M6-L76 PolarHBondContact O-N 3.42Å
7I96.4Very high91.2Very high1 Ų124.9 Ų24.91%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-120.6127.6174.6-54.3179.4000106.6L16 A17 V73 C74 Y75 F99 F119 I123I7-L16 HydrophobicContact CB-CB 4.48Å; I7-L16 HydrophobicContact CG2-CB 4.23Å; I7-L16 HydrophobicContact CG2-CD1 4.28Å; I7-L16 WeakPolarHBondContact O-CB 3.17Å; I7-L16 PolarHBondContact O-N 3.07Å; I7-A17 HydrophobicContact CB-CB 4.41Å; I7-A17 HydrophobicContact CD1-CB 4.36Å; I7-A17 PolarHBondContact N-O 2.84Å; I7-A17 PolarHBondContact O-N 3.39Å; I7-V73 HydrophobicContact CG2-CG1 3.44Å; I7-V73 VanDerWaalsContact CG2-CG1 3.44Å; I7-C74 WeakPolarHBondContact CA-O 3.43Å; I7-Y75 HydrophobicContact CD1-CD1 3.88Å; I7-Y75 HydrophobicContact CD1-CE1 3.99Å; I7-Y75 HydrophobicContact CG1-CD1 3.88Å; I7-Y75 HydrophobicContact CG1-CE1 4.34Å; I7-Y75 HydrophobicContact CG2-CD1 3.95Å; I7-Y75 HydrophobicContact CG2-CE1 3.85Å; I7-F99 HydrophobicContact CD1-CD2 3.99Å; I7-F99 HydrophobicContact CD1-CE2 4.43Å; I7-F99 HydrophobicContact CD1-CG 4.33Å; I7-F99 HydrophobicContact CG2-CD1 4.44Å; I7-F99 HydrophobicContact CG2-CE1 4.22Å; I7-F99 HydrophobicContact CG2-CE2 4.45Å; I7-F99 HydrophobicContact CG2-CZ 4.24Å; I7-F119 HydrophobicContact CD1-CD1 3.85Å; I7-F119 HydrophobicContact CD1-CE1 3.75Å; I7-I123 HydrophobicContact CD1-CD1 4.17Å
8A95.9Very high91.2Very high1 Ų124.7 Ų24.71%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-138.7150.9-179.100000111.6L14 F45 C74A8-L14 CarbonylContact C-O 3.5Å; A8-L14 VanDerWaalsContact CA-O 3.25Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; A8-F45 HydrophobicContact CB-CB 4.42Å; A8-F45 HydrophobicContact CB-CD1 3.67Å; A8-F45 HydrophobicContact CB-CD2 3.78Å; A8-F45 HydrophobicContact CB-CE1 3.71Å; A8-F45 HydrophobicContact CB-CE2 3.83Å; A8-F45 HydrophobicContact CB-CG 3.71Å; A8-F45 HydrophobicContact CB-CZ 3.78Å; A8-C74 PolarHBondContact N-O 3.31Å; A8-C74 PolarHBondContact O-N 3.33Å
9R96.1Very high91Very high34 Ų3423.5 Ų23.513%0.12814%0.143CC..EExtended strand (participates in β ladder)trans-74.1133.5172.5-176.2165.762.7-167.15.7109.6A11 D12 G13 L14 L16 V107 P108 V110R9-A11 HydrophobicContact CG-CB 4.4Å; R9-D12 IonicContact CZ-OD1 3.25Å; R9-D12 IonicContact CZ-OD2 3.7Å; R9-D12 IonicContact NE-OD1 2.67Å; R9-D12 PolarHBondContact NE-OD1 3.34Å; R9-D12 IonicContact NE-OD2 2.91Å; R9-D12 PolarHBondContact NE-OD2 3.44Å; R9-D12 IonicContact NH2-OD1 2.88Å; R9-D12 IonicContact NH2-OD2 3.65Å; R9-D12 PolarHBondContact NH2-OD2 3.28Å; R9-G13 WeakPolarHBondContact O-CA 3.45Å; R9-G13 PolarHBondContact O-N 2.89Å; R9-L14 HydrophobicContact CB-CB 4.27Å; R9-L14 PolarHBondContact N-O 3.34Å; R9-L16 HydrophobicContact CB-CD1 4.31Å; R9-L16 HydrophobicContact CB-CD2 4.34Å; R9-L16 HydrophobicContact CB-CG 4.44Å; R9-V107 HydrophobicContact CB-CG1 4.46Å; R9-V107 HydrophobicContact CG-CG1 4.22Å; R9-V107 PolarHBondContact NH1-O 3.29Å; R9-P108 PolarHBondContact NH1-O 2.9Å; R9-V110 PolarHBondContact NH1-O 2.93Å; R9-V110 PolarHBondContact NH2-O 3.35Å; R9-V110 VanDerWaalsContact NH2-O 3.11Å
10L95.3Very high90.4Very high19 Ų1924.7 Ų24.710%0.09915%0.148CC..THydrogen-bonded Turntrans-67.7-37.2-174.9-173.567.9000112.6D12 L48 E50 I69 G72L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 3Å; L10-L48 HydrophobicContact CD1-CB 3.75Å; L10-E50 HydrophobicContact CD2-CG 4.44Å; L10-I69 HydrophobicContact CD1-CD1 3.88Å; L10-I69 HydrophobicContact CD1-CG1 4.42Å; L10-I69 HydrophobicContact CD1-CG2 4.35Å; L10-I69 HydrophobicContact CD2-CG2 3.77Å; L10-G72 VanDerWaalsContact CB-O 3.3Å; L10-G72 WeakPolarHBondContact CB-O 3.42Å; L10-G72 PolarHBondContact N-O 3.27Å
11A92.4Very high89.3Confident95 Ų9526.7 Ų26.779%0.78516%0.156SC*.THydrogen-bonded Turntrans-62.3-34.9-172.200000114.1R9R9-A11 HydrophobicContact CG-CB 4.4Å
12D90.1Very high88.1Confident90 Ų9028.9 Ų28.948%0.48117%0.165SC..THydrogen-bonded Turntrans-136.72.4-172.359.8-12.3000113.7R9 L10 L14R9-D12 IonicContact CZ-OD1 3.25Å; R9-D12 IonicContact CZ-OD2 3.7Å; R9-D12 IonicContact NE-OD1 2.67Å; R9-D12 PolarHBondContact NE-OD1 3.34Å; R9-D12 IonicContact NE-OD2 2.91Å; R9-D12 PolarHBondContact NE-OD2 3.44Å; R9-D12 IonicContact NH2-OD1 2.88Å; R9-D12 IonicContact NH2-OD2 3.65Å; R9-D12 PolarHBondContact NH2-OD2 3.28Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 3Å; D12-L14 PolarHBondContact O-N 3.07Å; D12-L14 VanDerWaalsContact OD1-CB 3.25Å; D12-L14 WeakPolarHBondContact OD1-CB 3.38Å; D12-L14 PolarHBondContact OD1-N 3.21Å
13G89.9Confident86.6Confident13 Ų1333.6 Ų33.613%0.13419%0.19CC..  trans65.220-17500000113.4R9 P15R9-G13 WeakPolarHBondContact O-CA 3.45Å; R9-G13 PolarHBondContact O-N 2.89Å; G13-P15 VanDerWaalsContact O-CD 3.26Å; G13-P15 WeakPolarHBondContact O-CD 3.47Å
14L91.8Very high84.8Confident17 Ų1739.6 Ų39.69%0.08922%0.217CC..  trans-64.1119.5-178.2-179.268.8000110.1A8 R9 D12 L16 V110 P113A8-L14 CarbonylContact C-O 3.5Å; A8-L14 VanDerWaalsContact CA-O 3.25Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; R9-L14 HydrophobicContact CB-CB 4.27Å; R9-L14 PolarHBondContact N-O 3.34Å; D12-L14 PolarHBondContact O-N 3.07Å; D12-L14 VanDerWaalsContact OD1-CB 3.25Å; D12-L14 WeakPolarHBondContact OD1-CB 3.38Å; D12-L14 PolarHBondContact OD1-N 3.21Å; L14-L16 HydrophobicContact CD2-CD2 4.39Å; L14-L16 PolarHBondContact O-N 2.87Å; L14-V110 HydrophobicContact CD2-CG2 4.28Å; L14-P113 HydrophobicContact CD1-CB 4.24Å; L14-P113 HydrophobicContact CD1-CG 3.91Å
15P92.8Very high82.6Confident24 Ų2448.9 Ų48.916%0.15626%0.261CS..EExtended strand (participates in β ladder)trans-64.2129.6175.6-21.233.8000110.5G13 Y114G13-P15 VanDerWaalsContact O-CD 3.26Å; G13-P15 WeakPolarHBondContact O-CD 3.47Å; P15-Y114 HydrophobicContact CB-CD1 4.31Å; P15-Y114 HydrophobicContact CB-CD2 4.03Å; P15-Y114 HydrophobicContact CB-CE1 3.86Å; P15-Y114 HydrophobicContact CB-CE2 3.46Å; P15-Y114 VanDerWaalsContact CB-CE2 3.46Å; P15-Y114 HydrophobicContact CB-CG 4.4Å; P15-Y114 VanDerWaalsContact CB-CZ 3.43Å; P15-Y114 HydrophobicContact CG-CE2 3.9Å; P15-Y114 PolarHBondContact O-N 2.81Å
16L93.2Very high80.5Confident0 Ų050.8 Ų50.80%028%0.281CS..EExtended strand (participates in β ladder)trans-102.5-48.4-177.8-62.9-175.3000111.3I7 R9 L14 V73 F99 V107 V110 Y114 F116I7-L16 HydrophobicContact CB-CB 4.48Å; I7-L16 HydrophobicContact CG2-CB 4.23Å; I7-L16 HydrophobicContact CG2-CD1 4.28Å; I7-L16 WeakPolarHBondContact O-CB 3.17Å; I7-L16 PolarHBondContact O-N 3.07Å; R9-L16 HydrophobicContact CB-CD1 4.31Å; R9-L16 HydrophobicContact CB-CD2 4.34Å; R9-L16 HydrophobicContact CB-CG 4.44Å; L14-L16 HydrophobicContact CD2-CD2 4.39Å; L14-L16 PolarHBondContact O-N 2.87Å; L16-V73 HydrophobicContact CD1-CG1 4.1Å; L16-V73 HydrophobicContact CD1-CG2 4.26Å; L16-F99 HydrophobicContact CB-CZ 3.98Å; L16-F99 HydrophobicContact CD1-CE1 3.94Å; L16-F99 HydrophobicContact CD1-CZ 3.87Å; L16-V107 HydrophobicContact CD1-CG1 3.86Å; L16-V107 HydrophobicContact CD1-CG2 4.17Å; L16-V110 HydrophobicContact CD2-CG2 4.02Å; L16-Y114 CarbonylContact O-C 3.59Å; L16-Y114 WeakPolarHBondContact O-CA 3.4Å; L16-F116 HydrophobicContact CB-CD2 3.93Å; L16-F116 HydrophobicContact CD2-CD2 4.09Å; L16-F116 HydrophobicContact CD2-CE2 3.97Å; L16-F116 HydrophobicContact CG-CD2 4.45Å; L16-F116 PolarHBondContact O-N 3.11Å
17A92.1Very high78.5Confident1 Ų154.3 Ų54.31%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-151.9156.2176.800000109.8I7 F116 F119 I123I7-A17 HydrophobicContact CB-CB 4.41Å; I7-A17 HydrophobicContact CD1-CB 4.36Å; I7-A17 PolarHBondContact N-O 2.84Å; I7-A17 PolarHBondContact O-N 3.39Å; A17-F116 WeakPolarHBondContact CB-O 3.19Å; A17-F119 HydrophobicContact CB-CB 4.27Å; A17-I123 HydrophobicContact CB-CD1 4.27Å
18A90.7Very high76.5Confident20 Ų2062.2 Ų62.217%0.16534%0.342CS..EExtended strand (participates in β ladder)trans-154.7156.817200000111T5 M6 Y114T5-A18 CarbonylContact O-C 3.58Å; T5-A18 VanDerWaalsContact O-CA 3.23Å; T5-A18 WeakPolarHBondContact O-CA 3.4Å; T5-A18 WeakPolarHBondContact O-CB 3.4Å; M6-A18 HydrophobicContact CG-CB 4Å; A18-Y114 HydrophobicContact CB-CE1 3.77Å
19S86.8Confident74.5Confident2 Ų268.7 Ų68.71%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-138.9122.4175.5-168.60000110.4T5 D120 Q124 K127T5-S19 PolarHBondContact N-O 2.75Å; T5-S19 PolarHBondContact O-N 3.11Å; S19-D120 WeakPolarHBondContact CA-OD1 3.44Å; S19-D120 WeakPolarHBondContact CB-OD1 3.49Å; S19-D120 PolarHBondContact OG-OD1 3.43Å; S19-Q124 VanDerWaalsContact OG-CG 3.29Å; S19-Q124 WeakPolarHBondContact OG-CG 3.44Å; S19-K127 PolarHBondContact O-NZ 2.96Å
20M80.6Confident72.8Confident48 Ų4870.5 Ų70.524%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-122.2126.2179.8-67.3161.1-172.600108.1L4 Q38L4-M20 HydrophobicContact CD1-CE 3.57Å; L4-M20 HydrophobicContact CD1-CG 3.39Å; L4-M20 HydrophobicContact CD1-SD 4.3Å; M20-Q38 HydrophobicContact CE-CG 3.73Å; M20-Q38 HydrophobicContact SD-CG 4.49Å; M20-Q38 PolarHBondContact SD-NE2 3.42Å
21Q66.3Low71.2Confident66 Ų6671.8 Ų71.831%0.30840%0.403SS..  trans-94.6111.1166.2-92.8170.31.400108.1
22E55.2Low69.8Low138 Ų13875.3 Ų75.365%0.64540%0.396SS*.  trans-86.6102.8156.6-71.8175.3-177.100105.2E24E22-E24 PolarHBondContact O-N 3.34Å; E22-E24 VanDerWaalsContact O-N 3.14Å
23D51.4Low68.9Low104 Ų10474.1 Ų74.156%0.55639%0.39SS*.  trans-59.1120.7167.8-70.7-31.4000107.2Q25 G26D23-Q25 PolarHBondContact O-N 3.27Å; D23-G26 PolarHBondContact O-N 3.47Å
24E46.5Very low68.3Low154 Ų15474.2 Ų74.272%0.7239%0.387SS*.THydrogen-bonded Turntrans-60.8-3.1178.7-66.3-172.6151.900113.1E22 R185E22-E24 PolarHBondContact O-N 3.34Å; E22-E24 VanDerWaalsContact O-N 3.14Å; E24-R185 IonicContact OE1-CZ 3.49Å; E24-R185 VanDerWaalsContact OE1-CZ 3.25Å; E24-R185 IonicContact OE1-NH1 2.76Å; E24-R185 PolarHBondContact OE1-NH1 2.98Å; E24-R185 IonicContact OE1-NH2 3.34Å; E24-R185 PolarHBondContact OE1-NH2 3.17Å
25Q42.4Very low67.7Low196 Ų19679 Ų7992%0.91641%0.409SS*.THydrogen-bonded Turntrans-119.66.7179.3-71.9167.80.400113.4D23D23-Q25 PolarHBondContact O-N 3.27Å
26G49Very low67.2Low42 Ų4283 Ų8343%0.43343%0.426SS..  trans-72.5134.8179.700000112.5D23D23-G26 PolarHBondContact O-N 3.47Å
27S54Low66.9Low76 Ų7684.4 Ų84.453%0.53143%0.431SS..  trans-57.2147.317278.30000110.7K29 V30S27-K29 PolarHBondContact O-N 2.76Å; S27-V30 PolarHBondContact O-N 3.34Å
28E54.3Low66.6Low166 Ų16685.7 Ų85.778%0.77644%0.437SS*.Hα-helixtrans-49.8-21177.2-71.9-175.9149.700114.1R32E28-R32 PolarHBondContact O-N 3.33Å
29K53.9Low66.4Low138 Ų13886.7 Ų86.760%0.644%0.441SS*.Hα-helixtrans-68.8-43.1176.6-155.3-174.6-179.8-159.90112.1S27 G31 R32 D33S27-K29 PolarHBondContact O-N 2.76Å; K29-G31 VanDerWaalsContact C-N 3.32Å; K29-G31 PolarHBondContact O-N 3.09Å; K29-R32 PolarHBondContact O-N 3Å; K29-D33 VanDerWaalsContact O-CG 3.25Å; K29-D33 PolarHBondContact O-N 3.25Å; K29-D33 VanDerWaalsContact O-N 3.07Å
30V59.8Low66.5Low72 Ų7287.8 Ų87.844%0.43645%0.446SS..Hα-helixtrans-65.2-37.4179.3-179.90000111.1S27 L34S27-V30 PolarHBondContact O-N 3.34Å; V30-L34 WeakPolarHBondContact O-CB 3.18Å; V30-L34 PolarHBondContact O-N 3.16Å
31G62.1Low67Low46 Ų4685.5 Ų85.547%0.47444%0.435SS..Hα-helixtrans-65.3-41.4176.700000113.5K29 L34 Q35K29-G31 VanDerWaalsContact C-N 3.32Å; K29-G31 PolarHBondContact O-N 3.09Å; G31-L34 PolarHBondContact O-N 3.39Å; G31-Q35 PolarHBondContact O-N 3.33Å
32R63Low68.1Low168 Ų16884.6 Ų84.663%0.63443%0.43SS*.Hα-helixtrans-66.4-43.6176.2-77.4-172.6-79.9170.5-9.7112.1E28 K29 L34 Q35 Q36E28-R32 PolarHBondContact O-N 3.33Å; K29-R32 PolarHBondContact O-N 3Å; R32-L34 VanDerWaalsContact C-N 3.32Å; R32-L34 PolarHBondContact O-N 3.08Å; R32-Q35 PolarHBondContact O-N 3.25Å; R32-Q36 PolarHBondContact O-N 3.34Å
33D71.7Confident69.8Low65 Ų6580.9 Ų80.935%0.34841%0.412SS..Hα-helixtrans-64.6-38.7178.4-64.6-12.7000110.9K29 Q35 Q36 Y37K29-D33 VanDerWaalsContact O-CG 3.25Å; K29-D33 PolarHBondContact O-N 3.25Å; K29-D33 VanDerWaalsContact O-N 3.07Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 3.2Å; D33-Q36 WeakPolarHBondContact O-CB 3.37Å; D33-Q36 PolarHBondContact O-N 3.19Å; D33-Q36 VanDerWaalsContact O-N 3.16Å; D33-Y37 HydrophobicContact CB-CE2 4.19Å; D33-Y37 WeakPolarHBondContact O-CD2 3.36Å; D33-Y37 PolarHBondContact O-N 3.23Å; D33-Y37 VanDerWaalsContact O-N 3.1Å
34L76.1Confident71.7Confident16 Ų1676 Ų768%0.08439%0.386CS..Hα-helixtrans-62.5-37.1177.3-17064.7000112.7L3 L4 V30 G31 R32 Q36 Y37 Q38 L78L3-L34 HydrophobicContact CB-CD1 4.38Å; L4-L34 HydrophobicContact CB-CD1 4.27Å; V30-L34 WeakPolarHBondContact O-CB 3.18Å; V30-L34 PolarHBondContact O-N 3.16Å; G31-L34 PolarHBondContact O-N 3.39Å; R32-L34 VanDerWaalsContact C-N 3.32Å; R32-L34 PolarHBondContact O-N 3.08Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.97Å; L34-Y37 PolarHBondContact O-N 2.98Å; L34-Q38 WeakPolarHBondContact O-CG 3.3Å; L34-Q38 PolarHBondContact O-N 2.92Å; L34-L78 HydrophobicContact CD1-CD2 4.38Å
35Q79.2Confident73.9Confident116 Ų11669 Ų6954%0.54235%0.353SS..Hα-helixtrans-64.7-37.3175.9-174.3178.4-1400112.1G31 R32 D33 Q38 T39G31-Q35 PolarHBondContact O-N 3.33Å; R32-Q35 PolarHBondContact O-N 3.25Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 3.2Å; Q35-Q38 PolarHBondContact O-N 3.19Å; Q35-T39 PolarHBondContact O-N 3.43Å; Q35-T39 PolarHBondContact O-OG1 3.16Å
36Q83.6Confident76.1Confident110 Ų11067.7 Ų67.751%0.51434%0.34SS..Hα-helixtrans-62.9-48.6174-179.4-179.4-7.700111R32 D33 L34 Q38 T39 Q40R32-Q36 PolarHBondContact O-N 3.34Å; D33-Q36 WeakPolarHBondContact O-CB 3.37Å; D33-Q36 PolarHBondContact O-N 3.19Å; D33-Q36 VanDerWaalsContact O-N 3.16Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.97Å; Q36-Q38 VanDerWaalsContact C-N 3.3Å; Q36-Q38 PolarHBondContact O-N 3.07Å; Q36-T39 WeakPolarHBondContact O-CA 3.27Å; Q36-T39 WeakPolarHBondContact O-CB 3.46Å; Q36-T39 PolarHBondContact O-N 3.35Å; Q36-Q40 PolarHBondContact O-N 2.74Å
37Y86.3Confident78Confident28 Ų2868.6 Ų68.611%0.1133%0.332CS..Hα-helixtrans-64.1-33.7178.8-66.3-63000113D33 L34 T39 Q40 A41 A60 M63 F65 L78D33-Y37 HydrophobicContact CB-CE2 4.19Å; D33-Y37 WeakPolarHBondContact O-CD2 3.36Å; D33-Y37 PolarHBondContact O-N 3.23Å; D33-Y37 VanDerWaalsContact O-N 3.1Å; L34-Y37 PolarHBondContact O-N 2.98Å; Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 3.37Å; Y37-Q40 PolarHBondContact O-N 2.92Å; Y37-A41 WeakPolarHBondContact O-CB 3.14Å; Y37-A41 PolarHBondContact O-N 2.8Å; Y37-A60 HydrophobicContact CE1-CB 4.02Å; Y37-M63 HydrophobicContact CE1-CB 3.93Å; Y37-M63 HydrophobicContact CE1-CG 4.06Å; Y37-M63 HydrophobicContact CE2-CG 3.76Å; Y37-M63 VanDerWaalsContact CZ-CG 3.46Å; Y37-M63 WeakPolarHBondContact OH-CG 3.38Å; Y37-F65 AromaticContact CD1-CE2 3.98Å; Y37-F65 HydrophobicContact CD1-CE2 3.98Å; Y37-F65 AromaticContact CD1-CZ 3.86Å; Y37-F65 HydrophobicContact CD1-CZ 3.86Å; Y37-F65 HydrophobicContact CG-CZ 4.38Å; Y37-F65 WeakPolarHBondContact O-CZ 3.29Å; Y37-L78 HydrophobicContact CD1-CD1 4.03Å; Y37-L78 HydrophobicContact CD1-CD2 4.32Å; Y37-L78 HydrophobicContact CD2-CD2 3.81Å; Y37-L78 HydrophobicContact CG-CD1 4.2Å; Y37-L78 HydrophobicContact CG-CD2 3.64Å
38Q85.6Confident79.8Confident29 Ų2965.6 Ų65.614%0.13631%0.31CS..Hα-helixtrans-62.8-35.2171.4-74.4179.130.600112.7L4 M20 L34 Q35 Q36 K42L4-Q38 HydrophobicContact CD1-CG 4.31Å; L4-Q38 HydrophobicContact CD2-CG 3.92Å; M20-Q38 HydrophobicContact CE-CG 3.73Å; M20-Q38 HydrophobicContact SD-CG 4.49Å; M20-Q38 PolarHBondContact SD-NE2 3.42Å; L34-Q38 WeakPolarHBondContact O-CG 3.3Å; L34-Q38 PolarHBondContact O-N 2.92Å; Q35-Q38 PolarHBondContact O-N 3.19Å; Q36-Q38 VanDerWaalsContact C-N 3.3Å; Q36-Q38 PolarHBondContact O-N 3.07Å; Q38-K42 WeakPolarHBondContact O-CG 3.24Å; Q38-K42 PolarHBondContact O-N 3.1Å; Q38-K42 VanDerWaalsContact O-N 3.16Å
39T87.1Confident81.6Confident41 Ų4161.2 Ų61.225%0.25229%0.292SS..Hα-helixtrans-69.8-45.7177.5-57.70000110.3Q35 Q36 Y37 A41 K42 Q43Q35-T39 PolarHBondContact O-N 3.43Å; Q35-T39 PolarHBondContact O-OG1 3.16Å; Q36-T39 WeakPolarHBondContact O-CA 3.27Å; Q36-T39 WeakPolarHBondContact O-CB 3.46Å; Q36-T39 PolarHBondContact O-N 3.35Å; Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 3.37Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.01Å; T39-K42 PolarHBondContact O-N 3.3Å; T39-Q43 WeakPolarHBondContact O-CG 3.23Å; T39-Q43 PolarHBondContact O-N 2.92Å
40Q89.6Confident83.3Confident24 Ų2463.6 Ų63.611%0.11231%0.305CS..Hα-helixtrans-58.7-43.3173.7-70.2179.8-17.100112Q36 Y37 K42 Q43 L44 F65 L161Q36-Q40 PolarHBondContact O-N 2.74Å; Y37-Q40 PolarHBondContact O-N 2.92Å; Q40-K42 VanDerWaalsContact C-N 3.35Å; Q40-K42 PolarHBondContact O-N 3Å; Q40-Q43 PolarHBondContact O-N 2.8Å; Q40-L44 WeakPolarHBondContact O-CB 3.42Å; Q40-L44 PolarHBondContact O-N 2.98Å; Q40-F65 HydrophobicContact CB-CE2 4.23Å; Q40-F65 HydrophobicContact CB-CZ 3.98Å; Q40-L161 HydrophobicContact CB-CD1 3.95Å; Q40-L161 HydrophobicContact CG-CD1 3.84Å
41A90.8Very high84.8Confident0 Ų068.9 Ų68.90%033%0.325CS..Hα-helixtrans-58.2-44175.700000112.7L4 M6 Y37 T39 L44 F45 F65 L76L4-A41 HydrophobicContact CD2-CB 4.41Å; M6-A41 HydrophobicContact SD-CB 3.7Å; Y37-A41 WeakPolarHBondContact O-CB 3.14Å; Y37-A41 PolarHBondContact O-N 2.8Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.01Å; A41-L44 WeakPolarHBondContact O-CB 3.22Å; A41-L44 PolarHBondContact O-N 2.89Å; A41-F45 WeakPolarHBondContact O-CD2 3.31Å; A41-F45 WeakPolarHBondContact O-CG 3.37Å; A41-F45 PolarHBondContact O-N 2.85Å; A41-F65 HydrophobicContact CB-CE1 4.04Å; A41-L76 HydrophobicContact CB-CD2 3.52Å
42K88.9Confident86.2Confident47 Ų4767.8 Ų67.820%0.20431%0.31CS..Hα-helixtrans-66.5-39.6176.8-70.7169.2-172.1163.60112.3M6 Q38 T39 Q40 L44 F45 R46 L177M6-K42 HydrophobicContact CE-CG 4.4Å; Q38-K42 WeakPolarHBondContact O-CG 3.24Å; Q38-K42 PolarHBondContact O-N 3.1Å; Q38-K42 VanDerWaalsContact O-N 3.16Å; T39-K42 PolarHBondContact O-N 3.3Å; Q40-K42 VanDerWaalsContact C-N 3.35Å; Q40-K42 PolarHBondContact O-N 3Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-F45 PolarHBondContact O-N 3.44Å; K42-R46 PolarHBondContact O-N 2.87Å; K42-L177 VanDerWaalsContact CE-CD1 3.45Å; K42-L177 VanDerWaalsContact NZ-CD1 3.33Å
43Q89.8Confident87.7Confident61 Ų6162.1 Ų62.129%0.28530%0.295SS..Hα-helixtrans-64.4-41.2175.2-69.3173.1-2500110.7T39 Q40 F45 R46 K47 L161 L170T39-Q43 WeakPolarHBondContact O-CG 3.23Å; T39-Q43 PolarHBondContact O-N 2.92Å; Q40-Q43 PolarHBondContact O-N 2.8Å; Q43-F45 PolarHBondContact O-N 2.79Å; Q43-R46 WeakPolarHBondContact O-CB 3.34Å; Q43-R46 PolarHBondContact O-N 3.34Å; Q43-K47 WeakPolarHBondContact O-CG 3.33Å; Q43-K47 PolarHBondContact O-N 3.43Å; Q43-L161 HydrophobicContact CB-CD2 3.63Å; Q43-L170 HydrophobicContact CG-CD1 3.8Å
44L91.9Very high88.7Confident0 Ų062.7 Ų62.70%030%0.301CS..Hα-helixtrans-57.6-48.4175178.462.6000111.1Q40 A41 K42 R46 K47 L48 L58 Y67 L76 I157 V160 L161Q40-L44 WeakPolarHBondContact O-CB 3.42Å; Q40-L44 PolarHBondContact O-N 2.98Å; A41-L44 WeakPolarHBondContact O-CB 3.22Å; A41-L44 PolarHBondContact O-N 2.89Å; K42-L44 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.42Å; L44-R46 VanDerWaalsContact O-N 3.11Å; L44-K47 PolarHBondContact O-N 3.42Å; L44-L48 HydrophobicContact CD1-CD1 4.26Å; L44-L48 HydrophobicContact CD1-CD2 4.06Å; L44-L48 HydrophobicContact CD1-CG 3.98Å; L44-L48 HydrophobicContact CG-CD1 3.96Å; L44-L48 HydrophobicContact CG-CG 4.15Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 2.87Å; L44-L58 HydrophobicContact CD1-CD1 3.48Å; L44-L58 VanDerWaalsContact CD1-CD1 3.48Å; L44-L58 HydrophobicContact CD2-CD1 3.65Å; L44-L58 HydrophobicContact CG-CD1 4.21Å; L44-Y67 HydrophobicContact CD2-CD1 4.22Å; L44-L76 HydrophobicContact CD2-CD1 3.79Å; L44-L76 HydrophobicContact CD2-CD2 4.41Å; L44-I157 HydrophobicContact CD2-CD1 4.48Å; L44-V160 HydrophobicContact CD1-CG1 3.92Å; L44-L161 HydrophobicContact CB-CD2 4.38Å
45F92.1Very high89.6Confident7 Ų765.7 Ų65.73%0.03131%0.311CS..Hα-helixtrans-59.8-23.8176.8-67.2-45.9000114.4M6 A8 A41 K42 Q43 L48 C74 L76M6-F45 HydrophobicContact CB-CE2 3.75Å; M6-F45 HydrophobicContact CB-CZ 3.75Å; M6-F45 HydrophobicContact CE-CE2 3.94Å; M6-F45 HydrophobicContact SD-CE2 4.14Å; A8-F45 HydrophobicContact CB-CB 4.42Å; A8-F45 HydrophobicContact CB-CD1 3.67Å; A8-F45 HydrophobicContact CB-CD2 3.78Å; A8-F45 HydrophobicContact CB-CE1 3.71Å; A8-F45 HydrophobicContact CB-CE2 3.83Å; A8-F45 HydrophobicContact CB-CG 3.71Å; A8-F45 HydrophobicContact CB-CZ 3.78Å; A41-F45 WeakPolarHBondContact O-CD2 3.31Å; A41-F45 WeakPolarHBondContact O-CG 3.37Å; A41-F45 PolarHBondContact O-N 2.85Å; K42-F45 PolarHBondContact O-N 3.44Å; Q43-F45 PolarHBondContact O-N 2.79Å; F45-L48 HydrophobicContact CD1-CD1 4.41Å; F45-C74 HydrophobicContact CD1-CB 4.16Å; F45-C74 HydrophobicContact CE1-CB 3.92Å; F45-L76 HydrophobicContact CE1-CB 3.97Å; F45-L76 HydrophobicContact CE1-CD2 4.14Å; F45-L76 HydrophobicContact CE2-CD2 4.08Å; F45-L76 HydrophobicContact CZ-CB 3.69Å; F45-L76 HydrophobicContact CZ-CD2 3.63Å; F45-L76 HydrophobicContact CZ-CG 4.32Å
46R89.5Confident90.3Very high169 Ų16960.2 Ų60.264%0.63829%0.286SS*.Hα-helixtrans-81.6-21.1173.6-66.9176.9177.6-175.1-0.8113.4K42 Q43 L44K42-R46 PolarHBondContact O-N 2.87Å; Q43-R46 WeakPolarHBondContact O-CB 3.34Å; Q43-R46 PolarHBondContact O-N 3.34Å; L44-R46 PolarHBondContact O-N 3.42Å; L44-R46 VanDerWaalsContact O-N 3.11Å
47K89.6Confident90.9Very high62 Ų6255 Ų5527%0.2726%0.261SS..Hα-helixtrans-90.9-31.3179.8-67-68.3-178.1178.50112.2Q43 L44 R163Q43-K47 WeakPolarHBondContact O-CG 3.33Å; Q43-K47 PolarHBondContact O-N 3.43Å; L44-K47 PolarHBondContact O-N 3.42Å; K47-R163 PolarHBondContact NZ-O 3.5Å
48L91.8Very high91.4Very high13 Ų1353.7 Ų53.77%0.06826%0.256CS..  trans-66.6142.3179-65.4175.3000111.5L10 L44 F45 S52 Y67 I69 C74L10-L48 HydrophobicContact CD1-CB 3.75Å; L44-L48 HydrophobicContact CD1-CD1 4.26Å; L44-L48 HydrophobicContact CD1-CD2 4.06Å; L44-L48 HydrophobicContact CD1-CG 3.98Å; L44-L48 HydrophobicContact CG-CD1 3.96Å; L44-L48 HydrophobicContact CG-CG 4.15Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 2.87Å; F45-L48 HydrophobicContact CD1-CD1 4.41Å; L48-S52 WeakPolarHBondContact CA-OG 3.45Å; L48-Y67 HydrophobicContact CD1-CD2 4.38Å; L48-Y67 HydrophobicContact CD1-CE2 4.36Å; L48-Y67 HydrophobicContact CD2-CE1 4.07Å; L48-Y67 HydrophobicContact CD2-CE2 3.99Å; L48-I69 HydrophobicContact CD1-CD1 4.37Å; L48-I69 HydrophobicContact CD2-CD1 4.37Å; L48-C74 HydrophobicContact CD1-CB 4.42Å; L48-C74 WeakPolarHBondContact CD1-SG 3.43Å
49N91.9Very high91.8Very high74 Ų7456.8 Ų56.840%0.39627%0.271SS..  trans-153.5-176.1179.260.143.9000109.9Q51 S52N49-Q51 PolarHBondContact O-N 3.41Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.42Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.44Å; N49-Q51 PolarHBondContact OD1-N 2.89Å; N49-S52 PolarHBondContact N-OG 3.11Å; N49-S52 WeakPolarHBondContact O-CB 3.35Å; N49-S52 PolarHBondContact O-N 3.27Å; N49-S52 PolarHBondContact O-OG 3.39Å; N49-S52 PolarHBondContact OD1-N 2.91Å; N49-S52 PolarHBondContact OD1-OG 3.16Å
50E89.8Confident92Very high187 Ų18755.3 Ų55.387%0.87426%0.263SS*.THydrogen-bonded Turntrans-63.5-20.8-178-61.5-175.8167.600114.7L10 S52L10-E50 HydrophobicContact CD2-CG 4.44Å; E50-S52 VanDerWaalsContact C-N 3.33Å
51Q90.6Very high91.9Very high183 Ų18357.7 Ų57.786%0.85529%0.294SS*.THydrogen-bonded Turntrans-87.5-7.6175.7-59.1179.1-19.600112.4N49N49-Q51 PolarHBondContact O-N 3.41Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.42Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.44Å; N49-Q51 PolarHBondContact OD1-N 2.89Å
52S92.4Very high91.9Very high23 Ų2361.7 Ų61.716%0.16132%0.322CS..SBendtrans-69.6144.8178.2-58.70000110.2L48 N49 E50 T54L48-S52 WeakPolarHBondContact CA-OG 3.45Å; N49-S52 PolarHBondContact N-OG 3.11Å; N49-S52 WeakPolarHBondContact O-CB 3.35Å; N49-S52 PolarHBondContact O-N 3.27Å; N49-S52 PolarHBondContact O-OG 3.39Å; N49-S52 PolarHBondContact OD1-N 2.91Å; N49-S52 PolarHBondContact OD1-OG 3.16Å; E50-S52 VanDerWaalsContact C-N 3.33Å; S52-T54 PolarHBondContact O-N 2.87Å
53P93.3Very high92Very high49 Ų4961 Ų6132%0.31832%0.319SS..  trans-56.8137177.5-26.336.3000111.5R55 Y67 M153P53-R55 VanDerWaalsContact C-N 3.3Å; P53-R55 PolarHBondContact O-N 3.04Å; P53-Y67 WeakPolarHBondContact O-CE2 3.22Å; P53-Y67 PolarHBondContact O-OH 3.3Å; P53-M153 HydrophobicContact CB-CB 4.35Å; P53-M153 HydrophobicContact CB-CE 4.39Å; P53-M153 HydrophobicContact CB-SD 4.38Å; P53-M153 HydrophobicContact CG-CE 3.56Å; P53-M153 HydrophobicContact CG-SD 3.56Å; P53-M153 VanDerWaalsContact CG-SD 3.56Å
54T93.4Very high92.3Very high78 Ų7858.2 Ų58.248%0.47931%0.307SS..SBendtrans-67.3-30.3-17752.10000113.1S52 F68 I69S52-T54 PolarHBondContact O-N 2.87Å; T54-F68 CarbonylContact O-C 3.6Å; T54-F68 VanDerWaalsContact O-CA 3.3Å; T54-F68 WeakPolarHBondContact O-CA 3.35Å; T54-I69 PolarHBondContact O-N 3.01Å
55R94.1Very high92.5Very high79 Ų7958.2 Ų58.230%0.29831%0.307SS..EExtended strand (participates in β ladder)trans-129.6124.6175.2-69.8-178.8175.981-3.8110.2P53 F68 F89 E93 I152 M153P53-R55 VanDerWaalsContact C-N 3.3Å; P53-R55 PolarHBondContact O-N 3.04Å; R55-F68 HydrophobicContact CG-CD2 3.69Å; R55-F68 HydrophobicContact CG-CE2 4.28Å; R55-F89 HydrophobicContact CB-CD1 4.44Å; R55-F89 HydrophobicContact CB-CE1 3.73Å; R55-F89 HydrophobicContact CB-CZ 4.3Å; R55-F89 HydrophobicContact CG-CD1 4.19Å; R55-F89 HydrophobicContact CG-CE1 3.89Å; R55-E93 IonicContact CZ-OE1 3.48Å; R55-E93 IonicContact NE-OE1 3.47Å; R55-E93 PolarHBondContact NE-OE1 3.13Å; R55-E93 IonicContact NH2-OE1 2.69Å; R55-E93 PolarHBondContact NH2-OE1 2.97Å; R55-I152 HydrophobicContact CB-CG1 4.26Å; R55-M153 PolarHBondContact O-N 3.46Å
56C95.3Very high92.7Very high0 Ų058 Ų580%031%0.307CS..EExtended strand (participates in β ladder)trans-151.3147.2179.6176.50000113L58 Y67 M153C56-L58 WeakPolarHBondContact SG-CD2 3.49Å; C56-Y67 HydrophobicContact CB-CD1 4.06Å; C56-Y67 HydrophobicContact CB-CE1 3.38Å; C56-Y67 HydrophobicContact CB-CE2 4.03Å; C56-Y67 WeakPolarHBondContact CB-OH 3.34Å; C56-Y67 PolarHBondContact N-O 3.24Å; C56-Y67 VanDerWaalsContact N-O 3.1Å; C56-Y67 PolarHBondContact O-N 2.76Å; C56-M153 CarbonylContact C-O 3.55Å; C56-M153 VanDerWaalsContact CA-O 3.22Å; C56-M153 WeakPolarHBondContact CA-O 3.31Å; C56-M153 HydrophobicContact CB-CB 4.23Å; C56-M153 HydrophobicContact CB-CE 4.37Å; C56-M153 VanDerWaalsContact SG-CE 3.5Å; C56-M153 PolarHBondContact SG-O 3.04Å
57T96.2Very high93Very high0 Ų050.3 Ų50.30%028%0.277CS..EExtended strand (participates in β ladder)trans-109.8125.5169.2-62.40000109.2A64 F65 H66 M153 V154 A155T57-A64 HydrophobicContact CG2-CB 4.22Å; T57-F65 CarbonylContact C-O 3.51Å; T57-F65 VanDerWaalsContact CA-O 3.24Å; T57-F65 WeakPolarHBondContact CA-O 3.17Å; T57-H66 WeakPolarHBondContact CG2-CE1 3.35Å; T57-H66 WeakPolarHBondContact CG2-ND1 3.49Å; T57-H66 PolarHBondContact OG1-ND1 2.92Å; T57-M153 PolarHBondContact N-O 2.89Å; T57-V154 VanDerWaalsContact O-CA 3.31Å; T57-V154 WeakPolarHBondContact O-CA 3.47Å; T57-A155 PolarHBondContact O-N 3.38Å
58L95.9Very high93.3Very high1 Ų147.6 Ų47.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-109.6116.2175.2-53.8174.2000110L44 C56 A64 F65 Y67 A155 I157 V160L44-L58 HydrophobicContact CD1-CD1 3.48Å; L44-L58 VanDerWaalsContact CD1-CD1 3.48Å; L44-L58 HydrophobicContact CD2-CD1 3.65Å; L44-L58 HydrophobicContact CG-CD1 4.21Å; C56-L58 WeakPolarHBondContact SG-CD2 3.49Å; L58-A64 CarbonylContact O-C 3.49Å; L58-A64 WeakPolarHBondContact O-CA 3.35Å; L58-F65 HydrophobicContact CB-CB 4.17Å; L58-F65 PolarHBondContact N-O 2.97Å; L58-F65 PolarHBondContact O-N 3.07Å; L58-Y67 HydrophobicContact CD1-CD1 4.31Å; L58-Y67 HydrophobicContact CD1-CE1 4.04Å; L58-Y67 HydrophobicContact CG-CE1 4.27Å; L58-A155 CarbonylContact C-O 3.55Å; L58-A155 WeakPolarHBondContact CA-O 3.17Å; L58-A155 HydrophobicContact CD2-CB 3.84Å; L58-I157 HydrophobicContact CB-CB 4.12Å; L58-I157 HydrophobicContact CB-CD1 4Å; L58-I157 HydrophobicContact CD1-CD1 3.49Å; L58-I157 VanDerWaalsContact CD1-CD1 3.49Å; L58-I157 HydrophobicContact CG-CD1 4.36Å; L58-V160 HydrophobicContact CD2-CG2 3.73Å
59E94.8Very high93.4Very high94 Ų9447.6 Ų47.644%0.43927%0.266SS..EExtended strand (participates in β ladder)trans-77.3131.3-179.5-62.2-176.2156.600110.2V154 A155 I157E59-V154 HydrophobicContact CG-CG1 4.02Å; E59-A155 PolarHBondContact N-O 3.27Å; E59-I157 WeakPolarHBondContact O-CG2 3.41Å; E59-I157 PolarHBondContact O-N 3.16Å
60A90.8Very high93.6Very high10 Ų1047.5 Ų47.58%0.08326%0.263CS..EExtended strand (participates in β ladder)trans-136.461.2-174.300000110Y37 S62 M63 F65 I157Y37-A60 HydrophobicContact CE1-CB 4.02Å; A60-S62 PolarHBondContact O-N 3.03Å; A60-M63 CarbonylContact C-O 3.47Å; A60-M63 VanDerWaalsContact C-O 3.31Å; A60-M63 WeakPolarHBondContact CA-O 3.3Å; A60-M63 PolarHBondContact N-O 3.34Å; A60-M63 PolarHBondContact O-N 3.44Å; A60-F65 HydrophobicContact CB-CD2 4.1Å; A60-F65 HydrophobicContact CB-CE2 3.99Å; A60-I157 HydrophobicContact CB-CB 4.3Å; A60-I157 HydrophobicContact CB-CG2 3.61Å
61G88.1Confident93.8Very high74 Ų7443.8 Ų43.876%0.76325%0.245SC*.THydrogen-bonded Turntrans68.3-117.4-177.100000112.4M63G61-M63 PolarHBondContact O-N 3.46Å
62S89.2Confident94Very high85 Ų8536.7 Ų36.759%0.59422%0.222SC*.THydrogen-bonded Turntrans-77.9-5.1176.657.70000113.7A60 A81A60-S62 PolarHBondContact O-N 3.03Å; S62-A81 PolarHBondContact O-N 3.1Å
63M92.1Very high94.3Very high31 Ų3135.9 Ų35.915%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-117163.4179.7-58.5-61.9176.400111.2L3 Y37 A60 G61 L78 S79 E80L3-M63 HydrophobicContact CD1-CE 3.78Å; L3-M63 HydrophobicContact CD1-SD 3.49Å; L3-M63 WeakPolarHBondContact CD1-SD 3.49Å; Y37-M63 HydrophobicContact CE1-CB 3.93Å; Y37-M63 HydrophobicContact CE1-CG 4.06Å; Y37-M63 HydrophobicContact CE2-CG 3.76Å; Y37-M63 VanDerWaalsContact CZ-CG 3.46Å; Y37-M63 WeakPolarHBondContact OH-CG 3.38Å; A60-M63 CarbonylContact C-O 3.47Å; A60-M63 VanDerWaalsContact C-O 3.31Å; A60-M63 WeakPolarHBondContact CA-O 3.3Å; A60-M63 PolarHBondContact N-O 3.34Å; A60-M63 PolarHBondContact O-N 3.44Å; G61-M63 PolarHBondContact O-N 3.46Å; M63-L78 HydrophobicContact CB-CD1 3.82Å; M63-S79 CarbonylContact C-O 3.52Å; M63-S79 VanDerWaalsContact CA-O 3.29Å; M63-S79 WeakPolarHBondContact CA-O 3.5Å; M63-E80 HydrophobicContact CE-CG 4.38Å; M63-E80 HydrophobicContact SD-CB 4.43Å; M63-E80 HydrophobicContact SD-CG 4.03Å
64A94.6Very high94.5Very high4 Ų433.6 Ų33.63%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-138.3135.8172.600000109.8T57 L58 S79T57-A64 HydrophobicContact CG2-CB 4.22Å; L58-A64 CarbonylContact O-C 3.49Å; L58-A64 WeakPolarHBondContact O-CA 3.35Å; A64-S79 PolarHBondContact N-O 2.99Å; A64-S79 PolarHBondContact O-N 3.09Å
65F96.4Very high94.7Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-87.8134.9165-67.6-85.5000108.8Y37 Q40 A41 T57 L58 A60 L76 V77 L78 I157Y37-F65 AromaticContact CD1-CE2 3.98Å; Y37-F65 HydrophobicContact CD1-CE2 3.98Å; Y37-F65 AromaticContact CD1-CZ 3.86Å; Y37-F65 HydrophobicContact CD1-CZ 3.86Å; Y37-F65 HydrophobicContact CG-CZ 4.38Å; Y37-F65 WeakPolarHBondContact O-CZ 3.29Å; Q40-F65 HydrophobicContact CB-CE2 4.23Å; Q40-F65 HydrophobicContact CB-CZ 3.98Å; A41-F65 HydrophobicContact CB-CE1 4.04Å; T57-F65 CarbonylContact C-O 3.51Å; T57-F65 VanDerWaalsContact CA-O 3.24Å; T57-F65 WeakPolarHBondContact CA-O 3.17Å; L58-F65 HydrophobicContact CB-CB 4.17Å; L58-F65 PolarHBondContact N-O 2.97Å; L58-F65 PolarHBondContact O-N 3.07Å; A60-F65 HydrophobicContact CB-CD2 4.1Å; A60-F65 HydrophobicContact CB-CE2 3.99Å; F65-L76 HydrophobicContact CB-CD1 3.96Å; F65-L76 HydrophobicContact CD1-CD1 3.89Å; F65-L76 HydrophobicContact CD1-CD2 4.11Å; F65-L76 HydrophobicContact CD1-CG 4.18Å; F65-L76 HydrophobicContact CE1-CD2 4.44Å; F65-L76 HydrophobicContact CG-CD1 4.36Å; F65-V77 CarbonylContact C-O 3.53Å; F65-V77 WeakPolarHBondContact CA-O 3.28Å; F65-L78 HydrophobicContact CD1-CB 4.35Å; F65-L78 HydrophobicContact CD1-CD1 3.88Å; F65-L78 HydrophobicContact CD2-CD1 4.14Å; F65-L78 HydrophobicContact CE1-CB 4.31Å; F65-L78 HydrophobicContact CE1-CD1 3.72Å; F65-L78 HydrophobicContact CE1-CG 4.5Å; F65-L78 HydrophobicContact CE2-CD1 3.97Å; F65-L78 HydrophobicContact CG-CD1 4.11Å; F65-L78 HydrophobicContact CZ-CD1 3.77Å; F65-I157 HydrophobicContact CD2-CD1 4.15Å; F65-I157 HydrophobicContact CD2-CG1 4.15Å; F65-I157 HydrophobicContact CE2-CD1 4.41Å; F65-I157 HydrophobicContact CE2-CG1 4.11Å
66H96.3Very high94.8Very high3 Ų326.4 Ų26.41%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-118.9130.3168.5-53.9-75.9000107.5T57 L76 V77 S79 A88 F89 L92T57-H66 WeakPolarHBondContact CG2-CE1 3.35Å; T57-H66 WeakPolarHBondContact CG2-ND1 3.49Å; T57-H66 PolarHBondContact OG1-ND1 2.92Å; H66-L76 CarbonylContact O-C 3.31Å; H66-L76 WeakPolarHBondContact O-CA 3.31Å; H66-V77 HydrophobicContact CB-CG1 3.89Å; H66-V77 PolarHBondContact N-O 2.82Å; H66-V77 PolarHBondContact O-N 2.93Å; H66-S79 PolarHBondContact CD2-OG 3.15Å; H66-S79 PolarHBondContact NE2-OG 2.57Å; H66-S79 VanDerWaalsContact NE2-OG 3.14Å; H66-A88 HydrophobicContact CB-CB 4.15Å; H66-F89 HydrophobicContact CB-CE2 4.08Å; H66-F89 HydrophobicContact CB-CZ 4.25Å; H66-F89 AromaticContact ND1-CE2 3.95Å; H66-L92 HydrophobicContact CB-CD1 4.24Å
67Y96.9Very high94.9Very high6 Ų626.4 Ų26.42%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-132.5149.7175.176.7-101.6000113.1L44 L48 P53 C56 L58 I69 Y75 F89L44-Y67 HydrophobicContact CD2-CD1 4.22Å; L48-Y67 HydrophobicContact CD1-CD2 4.38Å; L48-Y67 HydrophobicContact CD1-CE2 4.36Å; L48-Y67 HydrophobicContact CD2-CE1 4.07Å; L48-Y67 HydrophobicContact CD2-CE2 3.99Å; P53-Y67 WeakPolarHBondContact O-CE2 3.22Å; P53-Y67 PolarHBondContact O-OH 3.3Å; C56-Y67 HydrophobicContact CB-CD1 4.06Å; C56-Y67 HydrophobicContact CB-CE1 3.38Å; C56-Y67 HydrophobicContact CB-CE2 4.03Å; C56-Y67 WeakPolarHBondContact CB-OH 3.34Å; C56-Y67 PolarHBondContact N-O 3.24Å; C56-Y67 VanDerWaalsContact N-O 3.1Å; C56-Y67 PolarHBondContact O-N 2.76Å; L58-Y67 HydrophobicContact CD1-CD1 4.31Å; L58-Y67 HydrophobicContact CD1-CE1 4.04Å; L58-Y67 HydrophobicContact CG-CE1 4.27Å; Y67-I69 HydrophobicContact CD2-CD1 4.06Å; Y67-I69 HydrophobicContact CD2-CG1 3.86Å; Y67-I69 HydrophobicContact CE2-CD1 3.62Å; Y67-I69 HydrophobicContact CE2-CG1 3.92Å; Y67-Y75 CarbonylContact C-O 3.58Å; Y67-Y75 WeakPolarHBondContact CA-O 3.41Å; Y67-Y75 WeakPolarHBondContact CB-O 3.45Å; Y67-F89 VanDerWaalsContact O-CE1 3.27Å; Y67-F89 WeakPolarHBondContact O-CE1 3.38Å
68F94.6Very high94.8Very high5 Ų526.4 Ų26.42%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-129.3129.7175.2174.9-135.3000108.8T54 R55 E70 Y75 L92 E93 Q96T54-F68 CarbonylContact O-C 3.6Å; T54-F68 VanDerWaalsContact O-CA 3.3Å; T54-F68 WeakPolarHBondContact O-CA 3.35Å; R55-F68 HydrophobicContact CG-CD2 3.69Å; R55-F68 HydrophobicContact CG-CE2 4.28Å; F68-E70 HydrophobicContact CE1-CB 3.91Å; F68-E70 HydrophobicContact CE1-CG 4.43Å; F68-E70 HydrophobicContact CE2-CB 4.21Å; F68-E70 HydrophobicContact CZ-CB 3.66Å; F68-E70 HydrophobicContact CZ-CG 4.01Å; F68-Y75 HydrophobicContact CD1-CD2 4.46Å; F68-Y75 PolarHBondContact N-O 3.47Å; F68-Y75 PolarHBondContact O-N 2.98Å; F68-L92 HydrophobicContact CB-CB 4.24Å; F68-L92 HydrophobicContact CB-CD1 4.17Å; F68-E93 HydrophobicContact CD1-CG 4.29Å; F68-E93 HydrophobicContact CE1-CG 4.15Å; F68-Q96 HydrophobicContact CD1-CB 4.05Å; F68-Q96 HydrophobicContact CD1-CG 4.22Å; F68-Q96 HydrophobicContact CE1-CB 3.86Å; F68-Q96 HydrophobicContact CE1-CG 3.69Å
69I95.6Very high94.6Very high14 Ų1426.4 Ų26.47%0.07217%0.165CC..EExtended strand (participates in β ladder)trans-112.2125.7177.3-62.1170000108.4L10 L48 T54 Y67 V73 C74L10-I69 HydrophobicContact CD1-CD1 3.88Å; L10-I69 HydrophobicContact CD1-CG1 4.42Å; L10-I69 HydrophobicContact CD1-CG2 4.35Å; L10-I69 HydrophobicContact CD2-CG2 3.77Å; L48-I69 HydrophobicContact CD1-CD1 4.37Å; L48-I69 HydrophobicContact CD2-CD1 4.37Å; T54-I69 PolarHBondContact O-N 3.01Å; Y67-I69 HydrophobicContact CD2-CD1 4.06Å; Y67-I69 HydrophobicContact CD2-CG1 3.86Å; Y67-I69 HydrophobicContact CE2-CD1 3.62Å; Y67-I69 HydrophobicContact CE2-CG1 3.92Å; I69-V73 WeakPolarHBondContact CA-O 3.07Å; I69-C74 HydrophobicContact CG1-CB 4.11Å
70E95.4Very high94.5Very high72 Ų7224.8 Ų24.834%0.33616%0.158SC..EExtended strand (participates in β ladder)trans-148.6136.7177.6-169.159-132.500109F68 G72 V73 Q96F68-E70 HydrophobicContact CE1-CB 3.91Å; F68-E70 HydrophobicContact CE1-CG 4.43Å; F68-E70 HydrophobicContact CE2-CB 4.21Å; F68-E70 HydrophobicContact CZ-CB 3.66Å; F68-E70 HydrophobicContact CZ-CG 4.01Å; E70-G72 PolarHBondContact O-N 2.98Å; E70-V73 PolarHBondContact N-O 3.49Å; E70-V73 PolarHBondContact O-N 3.08Å; E70-Q96 HydrophobicContact CB-CG 3.93Å; E70-Q96 HydrophobicContact CG-CG 4.21Å
71Q94.6Very high94.4Very high108 Ų10827.1 Ų27.151%0.50518%0.177SC..THydrogen-bonded Turntrans50.137.7174.9-60.1149.5-15.200114.6V73 H100Q71-V73 VanDerWaalsContact C-N 3.3Å; Q71-V73 PolarHBondContact O-N 2.91Å; Q71-H100 VanDerWaalsContact CD-CE1 3.44Å; Q71-H100 PolarHBondContact OE1-CE1 3.32Å; Q71-H100 PolarHBondContact OE1-ND1 3.31Å
72G94.8Very high94.5Very high35 Ų3528.6 Ų28.636%0.36118%0.176SC..THydrogen-bonded Turntrans74.615.7179.300000114.7L10 E70L10-G72 VanDerWaalsContact CB-O 3.3Å; L10-G72 WeakPolarHBondContact CB-O 3.42Å; L10-G72 PolarHBondContact N-O 3.27Å; E70-G72 PolarHBondContact O-N 2.98Å
73V97.5Very high94.5Very high6 Ų625.4 Ų25.44%0.03615%0.151CC..EExtended strand (participates in β ladder)trans-120.2134.1174.2-177.50000109.6I7 L16 I69 E70 Q71 Y75 F99 V107I7-V73 HydrophobicContact CG2-CG1 3.44Å; I7-V73 VanDerWaalsContact CG2-CG1 3.44Å; L16-V73 HydrophobicContact CD1-CG1 4.1Å; L16-V73 HydrophobicContact CD1-CG2 4.26Å; I69-V73 WeakPolarHBondContact CA-O 3.07Å; E70-V73 PolarHBondContact N-O 3.49Å; E70-V73 PolarHBondContact O-N 3.08Å; Q71-V73 VanDerWaalsContact C-N 3.3Å; Q71-V73 PolarHBondContact O-N 2.91Å; V73-Y75 HydrophobicContact CB-CE2 3.74Å; V73-Y75 HydrophobicContact CG1-CD2 4.15Å; V73-Y75 HydrophobicContact CG1-CE1 4.09Å; V73-Y75 HydrophobicContact CG1-CE2 3.54Å; V73-F99 HydrophobicContact CG1-CE1 4.41Å; V73-V107 HydrophobicContact CG2-CG1 3.78Å; V73-V107 HydrophobicContact CG2-CG2 4.2Å
74C97.6Very high94.4Very high1 Ų126.5 Ų26.51%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-102124.5172.6-173.60000110I7 A8 F45 L48 I69I7-C74 WeakPolarHBondContact CA-O 3.43Å; A8-C74 PolarHBondContact N-O 3.31Å; A8-C74 PolarHBondContact O-N 3.33Å; F45-C74 HydrophobicContact CD1-CB 4.16Å; F45-C74 HydrophobicContact CE1-CB 3.92Å; L48-C74 HydrophobicContact CD1-CB 4.42Å; L48-C74 WeakPolarHBondContact CD1-SG 3.43Å; I69-C74 HydrophobicContact CG1-CB 4.11Å
75Y97.7Very high94.2Very high3 Ų329.9 Ų29.91%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-105.1119.8174.7-57-95.7000108I7 Y67 F68 V73 L95 Q96 F99I7-Y75 HydrophobicContact CD1-CD1 3.88Å; I7-Y75 HydrophobicContact CD1-CE1 3.99Å; I7-Y75 HydrophobicContact CG1-CD1 3.88Å; I7-Y75 HydrophobicContact CG1-CE1 4.34Å; I7-Y75 HydrophobicContact CG2-CD1 3.95Å; I7-Y75 HydrophobicContact CG2-CE1 3.85Å; Y67-Y75 CarbonylContact C-O 3.58Å; Y67-Y75 WeakPolarHBondContact CA-O 3.41Å; Y67-Y75 WeakPolarHBondContact CB-O 3.45Å; F68-Y75 HydrophobicContact CD1-CD2 4.46Å; F68-Y75 PolarHBondContact N-O 3.47Å; F68-Y75 PolarHBondContact O-N 2.98Å; V73-Y75 HydrophobicContact CB-CE2 3.74Å; V73-Y75 HydrophobicContact CG1-CD2 4.15Å; V73-Y75 HydrophobicContact CG1-CE1 4.09Å; V73-Y75 HydrophobicContact CG1-CE2 3.54Å; Y75-L95 HydrophobicContact CD1-CB 4.41Å; Y75-Q96 HydrophobicContact CD1-CB 4.26Å; Y75-Q96 HydrophobicContact CD2-CB 3.96Å; Y75-Q96 HydrophobicContact CD2-CG 4.01Å; Y75-Q96 VanDerWaalsContact CE1-CA 3.49Å; Y75-Q96 HydrophobicContact CE1-CB 3.99Å; Y75-Q96 HydrophobicContact CE1-CG 4.41Å; Y75-Q96 HydrophobicContact CE2-CB 3.7Å; Y75-Q96 HydrophobicContact CE2-CG 3.38Å; Y75-Q96 HydrophobicContact CG-CB 4.25Å; Y75-F99 HydrophobicContact CE1-CB 3.9Å; Y75-F99 HydrophobicContact CE1-CD1 4.13Å; Y75-F99 HydrophobicContact CE1-CG 4.14Å; Y75-F99 WeakPolarHBondContact OH-CD1 3.41Å
76L97.3Very high93.7Very high2 Ų232.5 Ų32.51%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-124.8135.1-173.1179.874.7000110.1T5 M6 A41 L44 F45 F65 H66T5-L76 CarbonylContact C-O 3.45Å; T5-L76 WeakPolarHBondContact CA-O 3.42Å; M6-L76 PolarHBondContact N-O 2.83Å; M6-L76 PolarHBondContact O-N 3.42Å; A41-L76 HydrophobicContact CB-CD2 3.52Å; L44-L76 HydrophobicContact CD2-CD1 3.79Å; L44-L76 HydrophobicContact CD2-CD2 4.41Å; F45-L76 HydrophobicContact CE1-CB 3.97Å; F45-L76 HydrophobicContact CE1-CD2 4.14Å; F45-L76 HydrophobicContact CE2-CD2 4.08Å; F45-L76 HydrophobicContact CZ-CB 3.69Å; F45-L76 HydrophobicContact CZ-CD2 3.63Å; F45-L76 HydrophobicContact CZ-CG 4.32Å; F65-L76 HydrophobicContact CB-CD1 3.96Å; F65-L76 HydrophobicContact CD1-CD1 3.89Å; F65-L76 HydrophobicContact CD1-CD2 4.11Å; F65-L76 HydrophobicContact CD1-CG 4.18Å; F65-L76 HydrophobicContact CE1-CD2 4.44Å; F65-L76 HydrophobicContact CG-CD1 4.36Å; H66-L76 CarbonylContact O-C 3.31Å; H66-L76 WeakPolarHBondContact O-CA 3.31Å
77V95.8Very high93.4Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-130.1139.1169.867.70000110.9L2 L4 F65 H66 A88 Y91 L92L2-V77 HydrophobicContact CB-CG2 4.27Å; L2-V77 HydrophobicContact CD2-CG2 3.57Å; L2-V77 HydrophobicContact CG-CG2 4.35Å; L4-V77 CarbonylContact O-C 3.56Å; L4-V77 VanDerWaalsContact O-CA 3.31Å; L4-V77 WeakPolarHBondContact O-CA 3.48Å; L4-V77 WeakPolarHBondContact O-CG2 3.37Å; F65-V77 CarbonylContact C-O 3.53Å; F65-V77 WeakPolarHBondContact CA-O 3.28Å; H66-V77 HydrophobicContact CB-CG1 3.89Å; H66-V77 PolarHBondContact N-O 2.82Å; H66-V77 PolarHBondContact O-N 2.93Å; V77-A88 HydrophobicContact CG1-CB 4.32Å; V77-Y91 HydrophobicContact CB-CD1 4.28Å; V77-Y91 HydrophobicContact CB-CE1 4Å; V77-Y91 HydrophobicContact CG1-CD1 4.36Å; V77-Y91 HydrophobicContact CG2-CD1 4.15Å; V77-Y91 HydrophobicContact CG2-CE1 3.72Å; V77-L92 HydrophobicContact CB-CD2 3.93Å; V77-L92 HydrophobicContact CG1-CD1 4.06Å; V77-L92 HydrophobicContact CG1-CD2 3.9Å; V77-L92 HydrophobicContact CG1-CG 3.99Å
78L94.1Very high93.2Very high1 Ų133.6 Ų33.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-98.3130.6168.3-177.372.1000108.9L3 L4 L34 Y37 M63 F65L3-L78 HydrophobicContact CB-CD2 4.17Å; L3-L78 HydrophobicContact CD1-CD2 4.41Å; L3-L78 HydrophobicContact CD1-CG 4.43Å; L3-L78 PolarHBondContact N-O 2.84Å; L4-L78 HydrophobicContact CB-CB 3.86Å; L4-L78 HydrophobicContact CB-CD2 4.27Å; L4-L78 PolarHBondContact O-N 3.36Å; L34-L78 HydrophobicContact CD1-CD2 4.38Å; Y37-L78 HydrophobicContact CD1-CD1 4.03Å; Y37-L78 HydrophobicContact CD1-CD2 4.32Å; Y37-L78 HydrophobicContact CD2-CD2 3.81Å; Y37-L78 HydrophobicContact CG-CD1 4.2Å; Y37-L78 HydrophobicContact CG-CD2 3.64Å; M63-L78 HydrophobicContact CB-CD1 3.82Å; F65-L78 HydrophobicContact CD1-CB 4.35Å; F65-L78 HydrophobicContact CD1-CD1 3.88Å; F65-L78 HydrophobicContact CD2-CD1 4.14Å; F65-L78 HydrophobicContact CE1-CB 4.31Å; F65-L78 HydrophobicContact CE1-CD1 3.72Å; F65-L78 HydrophobicContact CE1-CG 4.5Å; F65-L78 HydrophobicContact CE2-CD1 3.97Å; F65-L78 HydrophobicContact CG-CD1 4.11Å; F65-L78 HydrophobicContact CZ-CD1 3.77Å
79S92.7Very high93.1Very high0 Ų033.4 Ų33.40%019%0.193CC..EExtended strand (participates in β ladder)trans-134.4166.817266.50000111.8M1 M63 A64 H66M1-S79 WeakPolarHBondContact O-CA 3.23Å; M1-S79 WeakPolarHBondContact O-CB 3.34Å; M63-S79 CarbonylContact C-O 3.52Å; M63-S79 VanDerWaalsContact CA-O 3.29Å; M63-S79 WeakPolarHBondContact CA-O 3.5Å; A64-S79 PolarHBondContact N-O 2.99Å; A64-S79 PolarHBondContact O-N 3.09Å; H66-S79 PolarHBondContact CD2-OG 3.15Å; H66-S79 PolarHBondContact NE2-OG 2.57Å; H66-S79 VanDerWaalsContact NE2-OG 3.14Å
80E91.6Very high92.8Very high61 Ų6133 Ų3329%0.28519%0.191SC..EExtended strand (participates in β ladder)trans-58.1144.9160.4-67.2173157.500110M1 M63 S82 F83M1-E80 WeakPolarHBondContact CE-OE1 3.48Å; M1-E80 HydrophobicContact CG-CG 3.96Å; M1-E80 VanDerWaalsContact N-CD 3.33Å; M1-E80 PolarHBondContact N-OE2 2.78Å; M1-E80 PolarHBondContact O-N 3.34Å; M1-E80 VanDerWaalsContact O-N 3.08Å; M63-E80 HydrophobicContact CE-CG 4.38Å; M63-E80 HydrophobicContact SD-CB 4.43Å; M63-E80 HydrophobicContact SD-CG 4.03Å; E80-S82 PolarHBondContact O-N 3.42Å; E80-S82 VanDerWaalsContact O-N 3.13Å; E80-F83 VanDerWaalsContact O-CB 3.23Å; E80-F83 WeakPolarHBondContact O-CB 3.19Å; E80-F83 PolarHBondContact O-N 3.21Å
81A90.1Very high92.7Very high58 Ų5829.5 Ų29.548%0.47918%0.175SC..THydrogen-bonded Turntrans-60.8-23.5179.300000113.2S62 F83S62-A81 PolarHBondContact O-N 3.1Å; A81-F83 VanDerWaalsContact C-N 3.29Å
82S89.5Confident92.8Very high106 Ų10624.4 Ų24.474%0.74115%0.151SC*.THydrogen-bonded Turntrans-76.7-11.4175.260.90000113.9E80E80-S82 PolarHBondContact O-N 3.42Å; E80-S82 VanDerWaalsContact O-N 3.13Å
83F89.7Confident92.7Very high17 Ų1724.8 Ų24.88%0.07514%0.143CC..SBendtrans-70142.2179.2-169.1-97.6000110.7L2 E80 A81 K85 L87 A88L2-F83 HydrophobicContact CD1-CE1 4.48Å; L2-F83 HydrophobicContact CD1-CZ 4.15Å; L2-F83 HydrophobicContact CD2-CD1 3.88Å; L2-F83 HydrophobicContact CD2-CE1 3.61Å; L2-F83 HydrophobicContact CD2-CE2 4.48Å; L2-F83 HydrophobicContact CD2-CG 4.43Å; L2-F83 HydrophobicContact CD2-CZ 3.94Å; L2-F83 HydrophobicContact CG-CE1 4.14Å; L2-F83 HydrophobicContact CG-CE2 4.27Å; L2-F83 HydrophobicContact CG-CZ 3.92Å; E80-F83 VanDerWaalsContact O-CB 3.23Å; E80-F83 WeakPolarHBondContact O-CB 3.19Å; E80-F83 PolarHBondContact O-N 3.21Å; A81-F83 VanDerWaalsContact C-N 3.29Å; F83-K85 PolarHBondContact O-N 2.95Å; F83-K85 VanDerWaalsContact O-N 3.15Å; F83-L87 HydrophobicContact CE1-CB 3.79Å; F83-L87 HydrophobicContact CZ-CB 3.91Å; F83-L87 HydrophobicContact CZ-CD1 4.48Å; F83-A88 HydrophobicContact CD1-CB 4.07Å; F83-A88 HydrophobicContact CE1-CB 4.03Å
84S89.9Confident92.5Very high55 Ų5527.5 Ų27.539%0.38516%0.158SC..  trans-65.4118.1-176.9179.70000110.9K86 L87 A88S84-K86 PolarHBondContact O-N 2.8Å; S84-L87 PolarHBondContact O-N 2.75Å; S84-A88 PolarHBondContact O-N 2.85Å
85K89.4Confident92.4Very high75 Ų7527.5 Ų27.533%0.32616%0.157SC..Hα-helixtrans-52-43.6173.8-58.1-174.4-176.1179.20111F83 L87 A88 F89F83-K85 PolarHBondContact O-N 2.95Å; F83-K85 VanDerWaalsContact O-N 3.15Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.82Å; K85-A88 WeakPolarHBondContact O-CB 3.27Å; K85-A88 PolarHBondContact O-N 2.85Å; K85-A88 VanDerWaalsContact O-N 3.09Å; K85-F89 WeakPolarHBondContact O-CD2 3.34Å; K85-F89 PolarHBondContact O-N 3.46Å
86K87.1Confident92.4Very high55 Ų5528.7 Ų28.724%0.23916%0.163CC..Hα-helixtrans-53.5-47.1176-177.8175.1173.3171.40112S84 A90 N143 L146 V149S84-K86 PolarHBondContact O-N 2.8Å; K86-A90 WeakPolarHBondContact O-CB 3.41Å; K86-A90 PolarHBondContact O-N 2.86Å; K86-A90 VanDerWaalsContact O-N 3.09Å; K86-N143 PolarHBondContact NZ-OD1 3.17Å; K86-L146 HydrophobicContact CD-CB 4.21Å; K86-L146 HydrophobicContact CD-CD1 4.17Å; K86-L146 HydrophobicContact CG-CB 3.98Å; K86-L146 HydrophobicContact CG-CD1 3.44Å; K86-L146 VanDerWaalsContact CG-CD1 3.44Å; K86-L146 HydrophobicContact CG-CD2 4.48Å; K86-L146 HydrophobicContact CG-CG 4.17Å; K86-V149 HydrophobicContact CB-CG2 4.17Å; K86-V149 HydrophobicContact CG-CG2 4.33Å
87L89.1Confident92.3Very high31 Ų3131.1 Ų31.116%0.16218%0.183CC..Hα-helixtrans-71.3-33.4178.2-65.9178.1000112.8F83 S84 K85 Y91F83-L87 HydrophobicContact CE1-CB 3.79Å; F83-L87 HydrophobicContact CZ-CB 3.91Å; F83-L87 HydrophobicContact CZ-CD1 4.48Å; S84-L87 PolarHBondContact O-N 2.75Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.82Å; L87-Y91 VanDerWaalsContact O-CB 3.31Å; L87-Y91 WeakPolarHBondContact O-CB 3.46Å; L87-Y91 PolarHBondContact O-N 2.83Å
88A92.5Very high92.4Very high0 Ų033.4 Ų33.40%019%0.194CC..Hα-helixtrans-64.8-44.5177.500000111.2H66 V77 F83 S84 K85 Y91 L92H66-A88 HydrophobicContact CB-CB 4.15Å; V77-A88 HydrophobicContact CG1-CB 4.32Å; F83-A88 HydrophobicContact CD1-CB 4.07Å; F83-A88 HydrophobicContact CE1-CB 4.03Å; S84-A88 PolarHBondContact O-N 2.85Å; K85-A88 WeakPolarHBondContact O-CB 3.27Å; K85-A88 PolarHBondContact O-N 2.85Å; K85-A88 VanDerWaalsContact O-N 3.09Å; A88-Y91 WeakPolarHBondContact O-CB 3.48Å; A88-Y91 PolarHBondContact O-N 2.85Å; A88-L92 WeakPolarHBondContact O-CG 3.11Å; A88-L92 PolarHBondContact O-N 2.93Å
89F92.9Very high92.5Very high2 Ų233.4 Ų33.41%0.00919%0.194CC..Hα-helixtrans-71-41178-81-82.6000112.8R55 H66 Y67 K85 Y91 L92 E93 I152R55-F89 HydrophobicContact CB-CD1 4.44Å; R55-F89 HydrophobicContact CB-CE1 3.73Å; R55-F89 HydrophobicContact CB-CZ 4.3Å; R55-F89 HydrophobicContact CG-CD1 4.19Å; R55-F89 HydrophobicContact CG-CE1 3.89Å; H66-F89 HydrophobicContact CB-CE2 4.08Å; H66-F89 HydrophobicContact CB-CZ 4.25Å; H66-F89 AromaticContact ND1-CE2 3.95Å; Y67-F89 VanDerWaalsContact O-CE1 3.27Å; Y67-F89 WeakPolarHBondContact O-CE1 3.38Å; K85-F89 WeakPolarHBondContact O-CD2 3.34Å; K85-F89 PolarHBondContact O-N 3.46Å; F89-Y91 VanDerWaalsContact C-N 3.26Å; F89-Y91 PolarHBondContact O-N 3.14Å; F89-L92 HydrophobicContact CD1-CD1 4.44Å; F89-L92 PolarHBondContact O-N 2.8Å; F89-E93 WeakPolarHBondContact O-CG 3.12Å; F89-E93 PolarHBondContact O-N 2.78Å; F89-I152 HydrophobicContact CD2-CD1 3.51Å; F89-I152 HydrophobicContact CD2-CG1 4.5Å; F89-I152 HydrophobicContact CE2-CD1 3.55Å; F89-I152 HydrophobicContact CE2-CG1 4.21Å; F89-I152 HydrophobicContact CE2-CG2 3.73Å; F89-I152 HydrophobicContact CG-CD1 4.05Å; F89-I152 HydrophobicContact CZ-CD1 4.1Å; F89-I152 HydrophobicContact CZ-CG1 4.29Å; F89-I152 HydrophobicContact CZ-CG2 3.66Å
90A90.6Very high92.7Very high4 Ų437.2 Ų37.23%0.03321%0.212CC..Hα-helixtrans-55.6-44.5172.500000111.9K86 L92 E93 D94 Y130 I142 L146K86-A90 WeakPolarHBondContact O-CB 3.41Å; K86-A90 PolarHBondContact O-N 2.86Å; K86-A90 VanDerWaalsContact O-N 3.09Å; A90-L92 PolarHBondContact O-N 3.41Å; A90-E93 PolarHBondContact O-N 2.94Å; A90-D94 PolarHBondContact O-N 2.72Å; A90-Y130 HydrophobicContact CB-CE1 3.72Å; A90-Y130 PolarHBondContact O-OH 2.83Å; A90-I142 HydrophobicContact CB-CD1 4.5Å; A90-I142 HydrophobicContact CB-CG2 4.22Å; A90-L146 HydrophobicContact CB-CD1 3.79Å
91Y93.2Very high93Very high0 Ų041.9 Ų41.90%023%0.233CC..Hα-helixtrans-59.6-43.8173.9165.4-106.2000112.5L2 T5 V77 L87 A88 F89 E93 L95 I123 T126 K127 Y130L2-Y91 HydrophobicContact CD1-CD1 4.18Å; L2-Y91 HydrophobicContact CD1-CE1 4.32Å; L2-Y91 HydrophobicContact CD1-CG 4.25Å; T5-Y91 HydrophobicContact CG2-CE1 4.06Å; T5-Y91 WeakPolarHBondContact CG2-OH 3.48Å; T5-Y91 PolarHBondContact OG1-OH 3.38Å; V77-Y91 HydrophobicContact CB-CD1 4.28Å; V77-Y91 HydrophobicContact CB-CE1 4Å; V77-Y91 HydrophobicContact CG1-CD1 4.36Å; V77-Y91 HydrophobicContact CG2-CD1 4.15Å; V77-Y91 HydrophobicContact CG2-CE1 3.72Å; L87-Y91 VanDerWaalsContact O-CB 3.31Å; L87-Y91 WeakPolarHBondContact O-CB 3.46Å; L87-Y91 PolarHBondContact O-N 2.83Å; A88-Y91 WeakPolarHBondContact O-CB 3.48Å; A88-Y91 PolarHBondContact O-N 2.85Å; F89-Y91 VanDerWaalsContact C-N 3.26Å; F89-Y91 PolarHBondContact O-N 3.14Å; Y91-E93 VanDerWaalsContact C-N 3.35Å; Y91-L95 HydrophobicContact CD1-CD1 4.38Å; Y91-L95 HydrophobicContact CD2-CG 4.48Å; Y91-L95 HydrophobicContact CE1-CD1 3.72Å; Y91-L95 HydrophobicContact CE2-CD1 3.92Å; Y91-L95 HydrophobicContact CE2-CD2 4.29Å; Y91-L95 HydrophobicContact CE2-CG 4.1Å; Y91-L95 VanDerWaalsContact CZ-CD1 3.49Å; Y91-L95 WeakPolarHBondContact O-CG 3.43Å; Y91-L95 PolarHBondContact O-N 2.89Å; Y91-L95 VanDerWaalsContact O-N 3.16Å; Y91-I123 VanDerWaalsContact OH-CG2 3.28Å; Y91-I123 WeakPolarHBondContact OH-CG2 3.41Å; Y91-T126 HydrophobicContact CD2-CG2 3.96Å; Y91-T126 HydrophobicContact CE2-CG2 4.16Å; Y91-K127 HydrophobicContact CE2-CB 3.92Å; Y91-Y130 AromaticContact CD2-CD2 3.89Å; Y91-Y130 HydrophobicContact CD2-CD2 3.89Å; Y91-Y130 HydrophobicContact CD2-CE2 4.41Å; Y91-Y130 HydrophobicContact CD2-CG 4.21Å; Y91-Y130 HydrophobicContact CG-CD2 4.5Å; Y91-Y130 HydrophobicContact CG-CG 4.49Å
92L95.1Very high93.2Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-67.3-34.9178.1-68.5176000112.7H66 F68 V77 A88 F89 A90 L95 Q96H66-L92 HydrophobicContact CB-CD1 4.24Å; F68-L92 HydrophobicContact CB-CB 4.24Å; F68-L92 HydrophobicContact CB-CD1 4.17Å; V77-L92 HydrophobicContact CB-CD2 3.93Å; V77-L92 HydrophobicContact CG1-CD1 4.06Å; V77-L92 HydrophobicContact CG1-CD2 3.9Å; V77-L92 HydrophobicContact CG1-CG 3.99Å; A88-L92 WeakPolarHBondContact O-CG 3.11Å; A88-L92 PolarHBondContact O-N 2.93Å; F89-L92 HydrophobicContact CD1-CD1 4.44Å; F89-L92 PolarHBondContact O-N 2.8Å; A90-L92 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 3Å; L92-Q96 WeakPolarHBondContact O-CB 3.25Å; L92-Q96 PolarHBondContact O-N 2.98Å
93E93Very high93.5Very high44 Ų4439.8 Ų39.821%0.20620%0.202CC..Hα-helixtrans-67.6-43.7177.4-74172168.900111.3R55 F68 F89 A90 Y91 L95 Q96 A97R55-E93 IonicContact CZ-OE1 3.48Å; R55-E93 IonicContact NE-OE1 3.47Å; R55-E93 PolarHBondContact NE-OE1 3.13Å; R55-E93 IonicContact NH2-OE1 2.69Å; R55-E93 PolarHBondContact NH2-OE1 2.97Å; F68-E93 HydrophobicContact CD1-CG 4.29Å; F68-E93 HydrophobicContact CE1-CG 4.15Å; F89-E93 WeakPolarHBondContact O-CG 3.12Å; F89-E93 PolarHBondContact O-N 2.78Å; A90-E93 PolarHBondContact O-N 2.94Å; Y91-E93 VanDerWaalsContact C-N 3.35Å; E93-L95 VanDerWaalsContact C-N 3.31Å; E93-L95 PolarHBondContact O-N 3.13Å; E93-Q96 PolarHBondContact O-N 3.28Å; E93-Q96 VanDerWaalsContact O-N 3.11Å; E93-A97 PolarHBondContact O-N 2.97Å
94D93.8Very high93.7Very high63 Ų6339.8 Ų39.834%0.33721%0.207SC..Hα-helixtrans-59.2-42.5172.6-77.4-4.8000111.7A90 Q96 E98 T126 Y130A90-D94 PolarHBondContact O-N 2.72Å; D94-Q96 VanDerWaalsContact C-N 3.34Å; D94-E98 PolarHBondContact O-N 2.86Å; D94-T126 HydrophobicContact CB-CG2 4.16Å; D94-Y130 VanDerWaalsContact CG-OH 3.31Å; D94-Y130 WeakPolarHBondContact OD2-CE2 3.33Å; D94-Y130 VanDerWaalsContact OD2-CZ 3.26Å; D94-Y130 PolarHBondContact OD2-OH 3.12Å
95L96Very high94Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-65.3-38.4175.2-67.8-173.9000112.2T5 Y75 Y91 L92 E93 F99 F119 Y122 I123 T126T5-L95 HydrophobicContact CG2-CD1 3.64Å; Y75-L95 HydrophobicContact CD1-CB 4.41Å; Y91-L95 HydrophobicContact CD1-CD1 4.38Å; Y91-L95 HydrophobicContact CD2-CG 4.48Å; Y91-L95 HydrophobicContact CE1-CD1 3.72Å; Y91-L95 HydrophobicContact CE2-CD1 3.92Å; Y91-L95 HydrophobicContact CE2-CD2 4.29Å; Y91-L95 HydrophobicContact CE2-CG 4.1Å; Y91-L95 VanDerWaalsContact CZ-CD1 3.49Å; Y91-L95 WeakPolarHBondContact O-CG 3.43Å; Y91-L95 PolarHBondContact O-N 2.89Å; Y91-L95 VanDerWaalsContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3Å; E93-L95 VanDerWaalsContact C-N 3.31Å; E93-L95 PolarHBondContact O-N 3.13Å; L95-F99 WeakPolarHBondContact O-CB 3.45Å; L95-F99 PolarHBondContact O-N 3.14Å; L95-F119 HydrophobicContact CD2-CE1 4.21Å; L95-Y122 HydrophobicContact CD2-CD1 3.77Å; L95-Y122 HydrophobicContact CD2-CE1 3.87Å; L95-I123 HydrophobicContact CD1-CG1 4.41Å; L95-I123 HydrophobicContact CD1-CG2 4.47Å; L95-I123 HydrophobicContact CD2-CB 4.47Å; L95-I123 HydrophobicContact CD2-CG1 4.06Å; L95-T126 HydrophobicContact CD2-CG2 4.4Å
96Q96.5Very high94.3Very high28 Ų2849 Ų4913%0.13124%0.24CC..Hα-helixtrans-65.3-48.8179.6179.5-82.3-32.400111.2F68 E70 Y75 L92 E93 D94 E98 F99 H100F68-Q96 HydrophobicContact CD1-CB 4.05Å; F68-Q96 HydrophobicContact CD1-CG 4.22Å; F68-Q96 HydrophobicContact CE1-CB 3.86Å; F68-Q96 HydrophobicContact CE1-CG 3.69Å; E70-Q96 HydrophobicContact CB-CG 3.93Å; E70-Q96 HydrophobicContact CG-CG 4.21Å; Y75-Q96 HydrophobicContact CD1-CB 4.26Å; Y75-Q96 HydrophobicContact CD2-CB 3.96Å; Y75-Q96 HydrophobicContact CD2-CG 4.01Å; Y75-Q96 VanDerWaalsContact CE1-CA 3.49Å; Y75-Q96 HydrophobicContact CE1-CB 3.99Å; Y75-Q96 HydrophobicContact CE1-CG 4.41Å; Y75-Q96 HydrophobicContact CE2-CB 3.7Å; Y75-Q96 HydrophobicContact CE2-CG 3.38Å; Y75-Q96 HydrophobicContact CG-CB 4.25Å; L92-Q96 WeakPolarHBondContact O-CB 3.25Å; L92-Q96 PolarHBondContact O-N 2.98Å; E93-Q96 PolarHBondContact O-N 3.28Å; E93-Q96 VanDerWaalsContact O-N 3.11Å; D94-Q96 VanDerWaalsContact C-N 3.34Å; Q96-E98 PolarHBondContact O-N 3.19Å; Q96-F99 PolarHBondContact O-N 3.44Å; Q96-H100 VanDerWaalsContact O-CB 3.23Å; Q96-H100 WeakPolarHBondContact O-CB 3.18Å; Q96-H100 PolarHBondContact O-N 3.04Å
97A95.9Very high94.7Very high53 Ų5346.8 Ų46.844%0.43823%0.231SC..Hα-helixtrans-57.6-52.7-179.300000111.3E93 H100 E101E93-A97 PolarHBondContact O-N 2.97Å; A97-H100 PolarHBondContact O-N 3.25Å; A97-E101 WeakPolarHBondContact O-CB 3.43Å; A97-E101 PolarHBondContact O-N 3.37Å
98E96.8Very high95Very high49 Ų4949.8 Ų49.823%0.22925%0.252CS..Hα-helixtrans-65.6-44.4-179.5-172.384.5-15000112.2D94 Q96 H100 E101 Q102 F119 Y122D94-E98 PolarHBondContact O-N 2.86Å; Q96-E98 PolarHBondContact O-N 3.19Å; E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 2.64Å; E98-E101 PolarHBondContact O-N 2.92Å; E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 3.25Å; E98-Q102 PolarHBondContact OE1-NE2 3.26Å; E98-F119 HydrophobicContact CB-CE2 4.21Å; E98-F119 HydrophobicContact CB-CZ 4.12Å; E98-F119 HydrophobicContact CG-CE2 3.76Å; E98-F119 HydrophobicContact CG-CZ 4.13Å; E98-Y122 HydrophobicContact CB-CD1 4.3Å; E98-Y122 HydrophobicContact CB-CE1 3.6Å; E98-Y122 HydrophobicContact CB-CE2 4.14Å; E98-Y122 VanDerWaalsContact CB-CZ 3.5Å; E98-Y122 WeakPolarHBondContact CB-OH 3.26Å; E98-Y122 HydrophobicContact CG-CD1 4.06Å; E98-Y122 HydrophobicContact CG-CD2 3.87Å; E98-Y122 HydrophobicContact CG-CE1 3.71Å; E98-Y122 HydrophobicContact CG-CE2 3.48Å; E98-Y122 VanDerWaalsContact CG-CE2 3.48Å; E98-Y122 HydrophobicContact CG-CG 4.13Å; E98-Y122 WeakPolarHBondContact OE2-CE2 3.17Å; E98-Y122 VanDerWaalsContact OE2-CZ 3.26Å; E98-Y122 PolarHBondContact OE2-OH 3.34Å
99F97.4Very high95.1Very high1 Ų155.1 Ų55.10%0.00429%0.285CS..Hα-helixtrans-64.4-40.1-179.7-173.7-92.4000111.3I7 L16 V73 Y75 L95 Q96 H103 G104 V107 F116 F119I7-F99 HydrophobicContact CD1-CD2 3.99Å; I7-F99 HydrophobicContact CD1-CE2 4.43Å; I7-F99 HydrophobicContact CD1-CG 4.33Å; I7-F99 HydrophobicContact CG2-CD1 4.44Å; I7-F99 HydrophobicContact CG2-CE1 4.22Å; I7-F99 HydrophobicContact CG2-CE2 4.45Å; I7-F99 HydrophobicContact CG2-CZ 4.24Å; L16-F99 HydrophobicContact CB-CZ 3.98Å; L16-F99 HydrophobicContact CD1-CE1 3.94Å; L16-F99 HydrophobicContact CD1-CZ 3.87Å; V73-F99 HydrophobicContact CG1-CE1 4.41Å; Y75-F99 HydrophobicContact CE1-CB 3.9Å; Y75-F99 HydrophobicContact CE1-CD1 4.13Å; Y75-F99 HydrophobicContact CE1-CG 4.14Å; Y75-F99 WeakPolarHBondContact OH-CD1 3.41Å; L95-F99 WeakPolarHBondContact O-CB 3.45Å; L95-F99 PolarHBondContact O-N 3.14Å; Q96-F99 PolarHBondContact O-N 3.44Å; F99-H103 AromaticContact CD2-CD2 3.82Å; F99-H103 HydrophobicContact CE1-CB 4.29Å; F99-H103 HydrophobicContact CE2-CB 4.34Å; F99-H103 AromaticContact CE2-CD2 3.7Å; F99-H103 HydrophobicContact CZ-CB 4.17Å; F99-H103 WeakPolarHBondContact O-CA 3.21Å; F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-N 2.75Å; F99-G104 PolarHBondContact O-N 2.83Å; F99-V107 HydrophobicContact CE1-CG2 3.68Å; F99-V107 HydrophobicContact CZ-CG2 4.28Å; F99-F116 HydrophobicContact CE2-CB 3.81Å; F99-F116 HydrophobicContact CE2-CD2 4.24Å; F99-F116 HydrophobicContact CE2-CG 4.06Å; F99-F116 HydrophobicContact CZ-CB 4.22Å; F99-F116 AromaticContact CZ-CD2 3.76Å; F99-F116 HydrophobicContact CZ-CD2 3.76Å; F99-F116 HydrophobicContact CZ-CE2 4.25Å; F99-F116 HydrophobicContact CZ-CG 4.01Å; F99-F119 HydrophobicContact CB-CE1 3.99Å; F99-F119 HydrophobicContact CB-CE2 4.11Å; F99-F119 HydrophobicContact CB-CZ 3.67Å; F99-F119 AromaticContact CD2-CD1 3.73Å; F99-F119 HydrophobicContact CD2-CD1 3.73Å; F99-F119 HydrophobicContact CD2-CD2 4.09Å; F99-F119 AromaticContact CD2-CE1 3.88Å; F99-F119 HydrophobicContact CD2-CE1 3.88Å; F99-F119 HydrophobicContact CD2-CE2 4.22Å; F99-F119 AromaticContact CD2-CG 3.86Å; F99-F119 HydrophobicContact CD2-CG 3.86Å; F99-F119 HydrophobicContact CD2-CZ 4.13Å; F99-F119 HydrophobicContact CE2-CD1 4.46Å; F99-F119 HydrophobicContact CE2-CG 4.46Å; F99-F119 HydrophobicContact CG-CE1 4.41Å; F99-F119 HydrophobicContact CG-CZ 4.43Å
100H96.9Very high95.2Very high80 Ų8056.1 Ų56.137%0.3729%0.291SS..Hα-helixtrans-64.5-46176.6-178.673.9000111.4Q71 Q96 A97 E98 Q102 G104Q71-H100 VanDerWaalsContact CD-CE1 3.44Å; Q71-H100 PolarHBondContact OE1-CE1 3.32Å; Q71-H100 PolarHBondContact OE1-ND1 3.31Å; Q96-H100 VanDerWaalsContact O-CB 3.23Å; Q96-H100 WeakPolarHBondContact O-CB 3.18Å; Q96-H100 PolarHBondContact O-N 3.04Å; A97-H100 PolarHBondContact O-N 3.25Å; E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 2.64Å; H100-Q102 PolarHBondContact O-N 3.43Å; H100-G104 WeakPolarHBondContact O-CA 3.25Å; H100-G104 PolarHBondContact O-N 3.3Å
101E96.9Very high95.2Very high158 Ų15860.9 Ų60.974%0.73832%0.324SS*.Hα-helixtrans-57.5-47.8178.1-175.5176.7177.700111.7A97 E98A97-E101 WeakPolarHBondContact O-CB 3.43Å; A97-E101 PolarHBondContact O-N 3.37Å; E98-E101 PolarHBondContact O-N 2.92Å
102Q95.4Very high95.1Very high92 Ų9268.5 Ų68.543%0.4335%0.353SS..Hα-helixtrans-78.8-34.3-176.9-64.1-168.31700113.9E98 H100E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 3.25Å; E98-Q102 PolarHBondContact OE1-NE2 3.26Å; H100-Q102 PolarHBondContact O-N 3.43Å
103H95.9Very high94.8Very high28 Ų2871.8 Ų71.813%0.1337%0.374CS..Hα-helixtrans-133.8-10.1-162.4-58.3-33.7000115.3F99 K105 K106 V107 F116F99-H103 AromaticContact CD2-CD2 3.82Å; F99-H103 HydrophobicContact CE1-CB 4.29Å; F99-H103 HydrophobicContact CE2-CB 4.34Å; F99-H103 AromaticContact CE2-CD2 3.7Å; F99-H103 HydrophobicContact CZ-CB 4.17Å; F99-H103 WeakPolarHBondContact O-CA 3.21Å; F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-N 2.75Å; H103-K105 VanDerWaalsContact C-N 3.29Å; H103-K105 PolarHBondContact O-N 2.76Å; H103-K105 VanDerWaalsContact O-N 3.1Å; H103-K106 WeakPolarHBondContact O-CA 3.37Å; H103-K106 PolarHBondContact O-N 3.48Å; H103-V107 PolarHBondContact O-N 2.69Å; H103-F116 HydrophobicContact CB-CD1 3.83Å; H103-F116 HydrophobicContact CB-CE1 3.7Å; H103-F116 HydrophobicContact CB-CG 4.48Å; H103-F116 HydrophobicContact CB-CZ 4.23Å; H103-F116 AromaticContact CD2-CD1 3.61Å; H103-F116 AromaticContact CG-CD1 3.45Å; H103-F116 VanDerWaalsContact CG-CD1 3.45Å; H103-F116 AromaticContact CG-CE1 3.75Å; H103-F116 AromaticContact ND1-CD1 3.78Å; H103-F116 AromaticContact NE2-CD1 3.98Å
104G94.1Very high94.7Very high17 Ų1771.3 Ų71.318%0.17537%0.371CS..G310 helixtrans-50.5-43.6-170.500000114.3F99 H100 K106 V107F99-G104 PolarHBondContact O-N 2.83Å; H100-G104 WeakPolarHBondContact O-CA 3.25Å; H100-G104 PolarHBondContact O-N 3.3Å; G104-K106 VanDerWaalsContact C-N 3.3Å; G104-K106 PolarHBondContact O-N 3.35Å; G104-V107 PolarHBondContact O-N 3.47Å
105K95.4Very high94.4Very high200 Ų20070.4 Ų70.487%0.8737%0.37SS*.G310 helixtrans-68.5-23.8178.9-62.7-179-177.61760114.3H103H103-K105 VanDerWaalsContact C-N 3.29Å; H103-K105 PolarHBondContact O-N 2.76Å; H103-K105 VanDerWaalsContact O-N 3.1Å
106K95.8Very high94.3Very high125 Ų12571.1 Ų71.154%0.54337%0.373SS..G310 helixtrans-91.6-18-178.3-61.7-179.2-177174.50112.5H103 G104 P108 T109 V110 F116H103-K106 WeakPolarHBondContact O-CA 3.37Å; H103-K106 PolarHBondContact O-N 3.48Å; G104-K106 VanDerWaalsContact C-N 3.3Å; G104-K106 PolarHBondContact O-N 3.35Å; K106-P108 VanDerWaalsContact C-CD 3.42Å; K106-T109 PolarHBondContact O-N 3.21Å; K106-T109 VanDerWaalsContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.46Å; K106-V110 PolarHBondContact O-N 2.78Å; K106-F116 HydrophobicContact CB-CE1 4.04Å; K106-F116 HydrophobicContact CB-CZ 3.91Å
107V96.1Very high93.8Very high7 Ų772.2 Ų72.24%0.04238%0.379CS..THydrogen-bonded Turntrans-53.2-43.2180173.60000113.3R9 L16 V73 F99 H103 G104 T109 V110 F116R9-V107 HydrophobicContact CB-CG1 4.46Å; R9-V107 HydrophobicContact CG-CG1 4.22Å; R9-V107 PolarHBondContact NH1-O 3.29Å; L16-V107 HydrophobicContact CD1-CG1 3.86Å; L16-V107 HydrophobicContact CD1-CG2 4.17Å; V73-V107 HydrophobicContact CG2-CG1 3.78Å; V73-V107 HydrophobicContact CG2-CG2 4.2Å; F99-V107 HydrophobicContact CE1-CG2 3.68Å; F99-V107 HydrophobicContact CZ-CG2 4.28Å; H103-V107 PolarHBondContact O-N 2.69Å; G104-V107 PolarHBondContact O-N 3.47Å; V107-T109 VanDerWaalsContact C-N 3.28Å; V107-T109 PolarHBondContact O-N 3.07Å; V107-V110 WeakPolarHBondContact O-CG2 3.47Å; V107-F116 HydrophobicContact CG2-CE2 4.34Å; V107-F116 HydrophobicContact CG2-CZ 4.49Å
108P94.9Very high93.4Very high95 Ų9577.7 Ų77.762%0.61740%0.396SS*.THydrogen-bonded Turntrans-70.7-24.8-178.8-16.230.6000113R9 K106R9-P108 PolarHBondContact NH1-O 2.9Å; K106-P108 VanDerWaalsContact C-CD 3.42Å
109T95.2Very high93.1Very high111 Ų11175.6 Ų75.668%0.68139%0.386SS*.THydrogen-bonded Turntrans-89.8-17.6-170.865.40000113.4K106 V107K106-T109 PolarHBondContact O-N 3.21Å; K106-T109 VanDerWaalsContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.46Å; V107-T109 VanDerWaalsContact C-N 3.28Å; V107-T109 PolarHBondContact O-N 3.07Å
110V93.9Very high92.7Very high24 Ų2477.7 Ų77.715%0.14540%0.397CS..  trans-79.7142.4-179-64.70000111.6R9 L14 L16 K106 V107 F116R9-V110 PolarHBondContact NH1-O 2.93Å; R9-V110 PolarHBondContact NH2-O 3.35Å; R9-V110 VanDerWaalsContact NH2-O 3.11Å; L14-V110 HydrophobicContact CD2-CG2 4.28Å; L16-V110 HydrophobicContact CD2-CG2 4.02Å; K106-V110 PolarHBondContact O-N 2.78Å; V107-V110 WeakPolarHBondContact O-CG2 3.47Å; V110-F116 HydrophobicContact CG1-CE2 4.08Å; V110-F116 HydrophobicContact CG1-CZ 3.76Å; V110-F116 HydrophobicContact CG2-CE2 3.74Å; V110-F116 HydrophobicContact CG2-CZ 4.17Å
111S91.4Very high92.3Very high103 Ų10379 Ų7972%0.7241%0.411SS*.  trans-121.9-17.9174.956.60000112.6
112R89.8Confident92Very high160 Ų16074.3 Ų74.360%0.60439%0.387SS*.SBendtrans-80.8129.4179.9-172.6-177.4177.7-168.9-1.8110Y114 S115R112-Y114 PolarHBondContact O-N 3.11Å; R112-S115 PolarHBondContact O-N 3.37Å; R112-S115 PolarHBondContact O-OG 3.38Å
113P89.9Confident91.8Very high69 Ų6969.9 Ų69.945%0.44837%0.366SS..THydrogen-bonded Turntrans-56.5140170-24.834.1000110.6L14 S115L14-P113 HydrophobicContact CD1-CB 4.24Å; L14-P113 HydrophobicContact CD1-CG 3.91Å; P113-S115 VanDerWaalsContact C-N 3.34Å
114Y89.9Confident91.5Very high34 Ų3471.8 Ų71.813%0.13338%0.375CS..THydrogen-bonded Turntrans61.742177.7-60.4-85000112.3P15 L16 A18 R112 F116 I117 L177P15-Y114 HydrophobicContact CB-CD1 4.31Å; P15-Y114 HydrophobicContact CB-CD2 4.03Å; P15-Y114 HydrophobicContact CB-CE1 3.86Å; P15-Y114 HydrophobicContact CB-CE2 3.46Å; P15-Y114 VanDerWaalsContact CB-CE2 3.46Å; P15-Y114 HydrophobicContact CB-CG 4.4Å; P15-Y114 VanDerWaalsContact CB-CZ 3.43Å; P15-Y114 HydrophobicContact CG-CE2 3.9Å; P15-Y114 PolarHBondContact O-N 2.81Å; L16-Y114 CarbonylContact O-C 3.59Å; L16-Y114 WeakPolarHBondContact O-CA 3.4Å; A18-Y114 HydrophobicContact CB-CE1 3.77Å; R112-Y114 PolarHBondContact O-N 3.11Å; Y114-F116 PolarHBondContact O-N 3.27Å; Y114-I117 HydrophobicContact CD1-CG2 4.45Å; Y114-I117 HydrophobicContact CG-CG2 4.43Å; Y114-I117 VanDerWaalsContact O-CG2 3.25Å; Y114-I117 WeakPolarHBondContact O-CG2 3.23Å; Y114-L177 HydrophobicContact CD2-CD2 3.67Å; Y114-L177 HydrophobicContact CE2-CD1 3.94Å; Y114-L177 HydrophobicContact CE2-CD2 3.05Å; Y114-L177 HydrophobicContact CE2-CG 4.11Å; Y114-L177 VanDerWaalsContact OH-CD1 3.28Å; Y114-L177 WeakPolarHBondContact OH-CD1 3.47Å
115S89.3Confident91.3Very high45 Ų4578 Ų7832%0.31540%0.397SS..THydrogen-bonded Turntrans-66-16.8177-71.60000113.7R112 P113R112-S115 PolarHBondContact O-N 3.37Å; R112-S115 PolarHBondContact O-OG 3.38Å; P113-S115 VanDerWaalsContact C-N 3.34Å
116F92.3Very high91.1Very high14 Ų1469.1 Ų69.16%0.06136%0.36CS..THydrogen-bonded Turntrans-121.536.5-176-52.8-77.2000112.1L16 A17 F99 H103 K106 V107 V110 Y114 E118 F119L16-F116 HydrophobicContact CB-CD2 3.93Å; L16-F116 HydrophobicContact CD2-CD2 4.09Å; L16-F116 HydrophobicContact CD2-CE2 3.97Å; L16-F116 HydrophobicContact CG-CD2 4.45Å; L16-F116 PolarHBondContact O-N 3.11Å; A17-F116 WeakPolarHBondContact CB-O 3.19Å; F99-F116 HydrophobicContact CE2-CB 3.81Å; F99-F116 HydrophobicContact CE2-CD2 4.24Å; F99-F116 HydrophobicContact CE2-CG 4.06Å; F99-F116 HydrophobicContact CZ-CB 4.22Å; F99-F116 AromaticContact CZ-CD2 3.76Å; F99-F116 HydrophobicContact CZ-CD2 3.76Å; F99-F116 HydrophobicContact CZ-CE2 4.25Å; F99-F116 HydrophobicContact CZ-CG 4.01Å; H103-F116 HydrophobicContact CB-CD1 3.83Å; H103-F116 HydrophobicContact CB-CE1 3.7Å; H103-F116 HydrophobicContact CB-CG 4.48Å; H103-F116 HydrophobicContact CB-CZ 4.23Å; H103-F116 AromaticContact CD2-CD1 3.61Å; H103-F116 AromaticContact CG-CD1 3.45Å; H103-F116 VanDerWaalsContact CG-CD1 3.45Å; H103-F116 AromaticContact CG-CE1 3.75Å; H103-F116 AromaticContact ND1-CD1 3.78Å; H103-F116 AromaticContact NE2-CD1 3.98Å; K106-F116 HydrophobicContact CB-CE1 4.04Å; K106-F116 HydrophobicContact CB-CZ 3.91Å; V107-F116 HydrophobicContact CG2-CE2 4.34Å; V107-F116 HydrophobicContact CG2-CZ 4.49Å; V110-F116 HydrophobicContact CG1-CE2 4.08Å; V110-F116 HydrophobicContact CG1-CZ 3.76Å; V110-F116 HydrophobicContact CG2-CE2 3.74Å; V110-F116 HydrophobicContact CG2-CZ 4.17Å; Y114-F116 PolarHBondContact O-N 3.27Å; F116-E118 PolarHBondContact O-N 2.74Å; F116-E118 VanDerWaalsContact O-N 3.17Å; F116-F119 WeakPolarHBondContact O-CB 3.32Å; F116-F119 PolarHBondContact O-N 2.91Å; F116-F119 VanDerWaalsContact O-N 3.11Å
117I87.1Confident90.8Very high52 Ų5263.2 Ų63.227%0.26733%0.334SS..G310 helixtrans-55.1-30.218045.3173.3000114.9Y114 F119 D120 Y184Y114-I117 HydrophobicContact CD1-CG2 4.45Å; Y114-I117 HydrophobicContact CG-CG2 4.43Å; Y114-I117 VanDerWaalsContact O-CG2 3.25Å; Y114-I117 WeakPolarHBondContact O-CG2 3.23Å; I117-F119 PolarHBondContact O-N 3.23Å; I117-F119 VanDerWaalsContact O-N 3.15Å; I117-D120 VanDerWaalsContact O-CB 3.23Å; I117-D120 WeakPolarHBondContact O-CB 3.46Å; I117-D120 PolarHBondContact O-N 3.33Å; I117-Y184 HydrophobicContact CD1-CD1 4.35Å; I117-Y184 HydrophobicContact CD1-CE1 3.48Å; I117-Y184 VanDerWaalsContact CD1-CE1 3.48Å; I117-Y184 HydrophobicContact CD1-CE2 3.87Å; I117-Y184 WeakPolarHBondContact CD1-OH 3.47Å
118E86.8Confident90.4Very high168 Ų16868.9 Ų68.979%0.78536%0.358SS*.G310 helixtrans-62.1-24.5-178.8-62.5-179.9169.700111.6F116 D120 T121F116-E118 PolarHBondContact O-N 2.74Å; F116-E118 VanDerWaalsContact O-N 3.17Å; E118-D120 PolarHBondContact O-N 3.02Å; E118-T121 PolarHBondContact O-N 2.82Å
119F91.5Very high90.1Very high4 Ų466.6 Ų66.62%0.01835%0.345CS..G310 helixtrans-64.2-16.1175-161.4-104.7000113.4I7 A17 L95 E98 F99 F116 I117 T121 Y122 I123I7-F119 HydrophobicContact CD1-CD1 3.85Å; I7-F119 HydrophobicContact CD1-CE1 3.75Å; A17-F119 HydrophobicContact CB-CB 4.27Å; L95-F119 HydrophobicContact CD2-CE1 4.21Å; E98-F119 HydrophobicContact CB-CE2 4.21Å; E98-F119 HydrophobicContact CB-CZ 4.12Å; E98-F119 HydrophobicContact CG-CE2 3.76Å; E98-F119 HydrophobicContact CG-CZ 4.13Å; F99-F119 HydrophobicContact CB-CE1 3.99Å; F99-F119 HydrophobicContact CB-CE2 4.11Å; F99-F119 HydrophobicContact CB-CZ 3.67Å; F99-F119 AromaticContact CD2-CD1 3.73Å; F99-F119 HydrophobicContact CD2-CD1 3.73Å; F99-F119 HydrophobicContact CD2-CD2 4.09Å; F99-F119 AromaticContact CD2-CE1 3.88Å; F99-F119 HydrophobicContact CD2-CE1 3.88Å; F99-F119 HydrophobicContact CD2-CE2 4.22Å; F99-F119 AromaticContact CD2-CG 3.86Å; F99-F119 HydrophobicContact CD2-CG 3.86Å; F99-F119 HydrophobicContact CD2-CZ 4.13Å; F99-F119 HydrophobicContact CE2-CD1 4.46Å; F99-F119 HydrophobicContact CE2-CG 4.46Å; F99-F119 HydrophobicContact CG-CE1 4.41Å; F99-F119 HydrophobicContact CG-CZ 4.43Å; F116-F119 WeakPolarHBondContact O-CB 3.32Å; F116-F119 PolarHBondContact O-N 2.91Å; F116-F119 VanDerWaalsContact O-N 3.11Å; I117-F119 PolarHBondContact O-N 3.23Å; I117-F119 VanDerWaalsContact O-N 3.15Å; F119-T121 PolarHBondContact O-N 2.93Å; F119-Y122 HydrophobicContact CE1-CD1 4.11Å; F119-Y122 AromaticContact CE2-CD1 3.95Å; F119-Y122 HydrophobicContact CE2-CD1 3.95Å; F119-Y122 HydrophobicContact CE2-CG 4.09Å; F119-Y122 AromaticContact CZ-CD1 3.53Å; F119-Y122 HydrophobicContact CZ-CD1 3.53Å; F119-Y122 HydrophobicContact CZ-CE1 4.14Å; F119-Y122 HydrophobicContact CZ-CG 4.13Å; F119-Y122 WeakPolarHBondContact O-CB 3.33Å; F119-Y122 PolarHBondContact O-N 2.9Å; F119-I123 HydrophobicContact CD1-CD1 3.79Å; F119-I123 HydrophobicContact CD1-CG1 3.61Å; F119-I123 HydrophobicContact CE1-CD1 4.33Å; F119-I123 HydrophobicContact CE1-CG1 3.79Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 3.11Å
120D88.3Confident89.6Confident46 Ų4661.5 Ų61.525%0.24631%0.313CS..Hα-helixtrans-53.8-36.4173179.633.6000112.1S19 I117 E118 Y122 I123 Q124S19-D120 WeakPolarHBondContact CA-OD1 3.44Å; S19-D120 WeakPolarHBondContact CB-OD1 3.49Å; S19-D120 PolarHBondContact OG-OD1 3.43Å; I117-D120 VanDerWaalsContact O-CB 3.23Å; I117-D120 WeakPolarHBondContact O-CB 3.46Å; I117-D120 PolarHBondContact O-N 3.33Å; E118-D120 PolarHBondContact O-N 3.02Å; D120-Y122 VanDerWaalsContact C-N 3.3Å; D120-Y122 PolarHBondContact O-N 3.22Å; D120-I123 PolarHBondContact O-N 2.79Å; D120-Q124 WeakPolarHBondContact O-CG 3.46Å; D120-Q124 PolarHBondContact O-N 3.32Å; D120-Q124 WeakPolarHBondContact OD1-CG 3.09Å; D120-Q124 PolarHBondContact OD1-NE2 3.34Å; D120-Q124 PolarHBondContact OD2-NE2 3.11Å
121T87.8Confident89.1Confident108 Ų10863 Ų6366%0.66332%0.319SS*.Hα-helixtrans-59.4-43.1177-55.80000111.6E118 F119 K125E118-T121 PolarHBondContact O-N 2.82Å; F119-T121 PolarHBondContact O-N 2.93Å; T121-K125 WeakPolarHBondContact O-CB 3.42Å; T121-K125 PolarHBondContact O-N 2.83Å; T121-K125 VanDerWaalsContact O-N 3.11Å
122Y90.6Very high88.6Confident58 Ų5861.9 Ų61.923%0.22731%0.305CS..Hα-helixtrans-67.8-47.3176.3-172.3-91.4000110.7L95 E98 F119 D120 Q124 K125 T126L95-Y122 HydrophobicContact CD2-CD1 3.77Å; L95-Y122 HydrophobicContact CD2-CE1 3.87Å; E98-Y122 HydrophobicContact CB-CD1 4.3Å; E98-Y122 HydrophobicContact CB-CE1 3.6Å; E98-Y122 HydrophobicContact CB-CE2 4.14Å; E98-Y122 VanDerWaalsContact CB-CZ 3.5Å; E98-Y122 WeakPolarHBondContact CB-OH 3.26Å; E98-Y122 HydrophobicContact CG-CD1 4.06Å; E98-Y122 HydrophobicContact CG-CD2 3.87Å; E98-Y122 HydrophobicContact CG-CE1 3.71Å; E98-Y122 HydrophobicContact CG-CE2 3.48Å; E98-Y122 VanDerWaalsContact CG-CE2 3.48Å; E98-Y122 HydrophobicContact CG-CG 4.13Å; E98-Y122 WeakPolarHBondContact OE2-CE2 3.17Å; E98-Y122 VanDerWaalsContact OE2-CZ 3.26Å; E98-Y122 PolarHBondContact OE2-OH 3.34Å; F119-Y122 HydrophobicContact CE1-CD1 4.11Å; F119-Y122 AromaticContact CE2-CD1 3.95Å; F119-Y122 HydrophobicContact CE2-CD1 3.95Å; F119-Y122 HydrophobicContact CE2-CG 4.09Å; F119-Y122 AromaticContact CZ-CD1 3.53Å; F119-Y122 HydrophobicContact CZ-CD1 3.53Å; F119-Y122 HydrophobicContact CZ-CE1 4.14Å; F119-Y122 HydrophobicContact CZ-CG 4.13Å; F119-Y122 WeakPolarHBondContact O-CB 3.33Å; F119-Y122 PolarHBondContact O-N 2.9Å; D120-Y122 VanDerWaalsContact C-N 3.3Å; D120-Y122 PolarHBondContact O-N 3.22Å; Y122-Q124 VanDerWaalsContact C-N 3.3Å; Y122-Q124 PolarHBondContact O-N 3.41Å; Y122-K125 PolarHBondContact O-N 2.91Å; Y122-K125 VanDerWaalsContact O-N 3.13Å; Y122-T126 VanDerWaalsContact CE1-OG1 3.27Å; Y122-T126 WeakPolarHBondContact CE1-OG1 3.34Å; Y122-T126 PolarHBondContact O-N 3.18Å; Y122-T126 PolarHBondContact O-OG1 3.03Å; Y122-T126 VanDerWaalsContact O-OG1 3.12Å
123I91.5Very high87.5Confident0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-53.2-48.2177.6-63.7170.9000110.8T5 I7 A17 Y91 L95 F119 D120 K127T5-I123 HydrophobicContact CG2-CG2 3.88Å; I7-I123 HydrophobicContact CD1-CD1 4.17Å; A17-I123 HydrophobicContact CB-CD1 4.27Å; Y91-I123 VanDerWaalsContact OH-CG2 3.28Å; Y91-I123 WeakPolarHBondContact OH-CG2 3.41Å; L95-I123 HydrophobicContact CD1-CG1 4.41Å; L95-I123 HydrophobicContact CD1-CG2 4.47Å; L95-I123 HydrophobicContact CD2-CB 4.47Å; L95-I123 HydrophobicContact CD2-CG1 4.06Å; F119-I123 HydrophobicContact CD1-CD1 3.79Å; F119-I123 HydrophobicContact CD1-CG1 3.61Å; F119-I123 HydrophobicContact CE1-CD1 4.33Å; F119-I123 HydrophobicContact CE1-CG1 3.79Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 3.11Å; D120-I123 PolarHBondContact O-N 2.79Å; I123-K127 WeakPolarHBondContact O-CB 3.39Å; I123-K127 PolarHBondContact O-N 3.2Å
124Q89.6Confident86.3Confident67 Ų6763.5 Ų63.531%0.31332%0.315SS..Hα-helixtrans-65.5-41.5179.9-69.2-178.627.100112.8S19 D120 Y122 K128S19-Q124 VanDerWaalsContact OG-CG 3.29Å; S19-Q124 WeakPolarHBondContact OG-CG 3.44Å; D120-Q124 WeakPolarHBondContact O-CG 3.46Å; D120-Q124 PolarHBondContact O-N 3.32Å; D120-Q124 WeakPolarHBondContact OD1-CG 3.09Å; D120-Q124 PolarHBondContact OD1-NE2 3.34Å; D120-Q124 PolarHBondContact OD2-NE2 3.11Å; Y122-Q124 VanDerWaalsContact C-N 3.3Å; Y122-Q124 PolarHBondContact O-N 3.41Å; Q124-K128 WeakPolarHBondContact O-CG 3.47Å; Q124-K128 PolarHBondContact O-N 3.17Å; Q124-K128 VanDerWaalsContact O-N 3.08Å
125K90Very high84.9Confident149 Ų14963.1 Ų63.165%0.64832%0.318SS*.Hα-helixtrans-62.7-51178.2-177.3-174.8175.2-169.70110.7T121 Y122 K128 S129T121-K125 WeakPolarHBondContact O-CB 3.42Å; T121-K125 PolarHBondContact O-N 2.83Å; T121-K125 VanDerWaalsContact O-N 3.11Å; Y122-K125 PolarHBondContact O-N 2.91Å; Y122-K125 VanDerWaalsContact O-N 3.13Å; K125-K128 PolarHBondContact O-N 2.86Å; K125-S129 PolarHBondContact O-N 2.84Å; K125-S129 PolarHBondContact O-OG 2.84Å
126T90.8Very high83.6Confident13 Ų1364.8 Ų64.88%0.0832%0.318CS..Hα-helixtrans-64.3-45.1179.9-54.50000110.3Y91 D94 L95 Y122 K128 S129 Y130Y91-T126 HydrophobicContact CD2-CG2 3.96Å; Y91-T126 HydrophobicContact CE2-CG2 4.16Å; D94-T126 HydrophobicContact CB-CG2 4.16Å; L95-T126 HydrophobicContact CD2-CG2 4.4Å; Y122-T126 VanDerWaalsContact CE1-OG1 3.27Å; Y122-T126 WeakPolarHBondContact CE1-OG1 3.34Å; Y122-T126 PolarHBondContact O-N 3.18Å; Y122-T126 PolarHBondContact O-OG1 3.03Å; Y122-T126 VanDerWaalsContact O-OG1 3.12Å; T126-K128 VanDerWaalsContact C-N 3.3Å; T126-K128 PolarHBondContact O-N 3.3Å; T126-S129 WeakPolarHBondContact O-CB 3.39Å; T126-S129 PolarHBondContact O-N 2.99Å; T126-Y130 HydrophobicContact CG2-CD2 3.93Å; T126-Y130 HydrophobicContact CG2-CE2 3.82Å; T126-Y130 WeakPolarHBondContact O-CD2 3.36Å; T126-Y130 PolarHBondContact O-N 3.18Å; T126-Y130 VanDerWaalsContact O-N 3.14Å
127K90.3Very high82Confident0 Ų073.3 Ų73.30%035%0.35CS..Hα-helixtrans-53.1-45.6175.6-178.7-175-65.6177.80112.1L2 S19 Y91 I123 S129 Y130 I131L2-K127 HydrophobicContact CB-CD 4.44Å; L2-K127 HydrophobicContact CB-CG 4.25Å; L2-K127 HydrophobicContact CD1-CG 4.17Å; S19-K127 PolarHBondContact O-NZ 2.96Å; Y91-K127 HydrophobicContact CE2-CB 3.92Å; I123-K127 WeakPolarHBondContact O-CB 3.39Å; I123-K127 PolarHBondContact O-N 3.2Å; K127-S129 VanDerWaalsContact C-N 3.35Å; K127-S129 PolarHBondContact O-N 2.99Å; K127-Y130 PolarHBondContact O-N 3.15Å; K127-I131 HydrophobicContact CD-CD1 4.22Å; K127-I131 HydrophobicContact CG-CD1 3.67Å; K127-I131 HydrophobicContact CG-CG1 4.37Å; K127-I131 WeakPolarHBondContact O-CG1 3.35Å; K127-I131 PolarHBondContact O-N 3.43Å
128K88.2Confident80.5Confident127 Ų12777.9 Ų77.955%0.55238%0.375SS*.Hα-helixtrans-59.8-42.6177.6-77.4177.1178.9178.40112.3Q124 K125 T126 Y130 I131 D132Q124-K128 WeakPolarHBondContact O-CG 3.47Å; Q124-K128 PolarHBondContact O-N 3.17Å; Q124-K128 VanDerWaalsContact O-N 3.08Å; K125-K128 PolarHBondContact O-N 2.86Å; T126-K128 VanDerWaalsContact C-N 3.3Å; T126-K128 PolarHBondContact O-N 3.3Å; K128-Y130 VanDerWaalsContact C-N 3.27Å; K128-Y130 PolarHBondContact O-N 3.35Å; K128-I131 PolarHBondContact O-N 2.88Å; K128-D132 WeakPolarHBondContact O-CB 3.28Å; K128-D132 PolarHBondContact O-N 3.08Å
129S87.2Confident79.3Confident47 Ų4772.3 Ų72.333%0.32935%0.35SS..Hα-helixtrans-62-34.3177-59.30000112.9K125 T126 K127K125-S129 PolarHBondContact O-N 2.84Å; K125-S129 PolarHBondContact O-OG 2.84Å; T126-S129 WeakPolarHBondContact O-CB 3.39Å; T126-S129 PolarHBondContact O-N 2.99Å; K127-S129 VanDerWaalsContact C-N 3.35Å; K127-S129 PolarHBondContact O-N 2.99Å
130Y85.7Confident77.4Confident4 Ų475 Ų752%0.01638%0.378CS..Hα-helixtrans-81.8-23.9177.8-82.6-91.3000113.7A90 Y91 D94 T126 K127 K128 R136 I142A90-Y130 HydrophobicContact CB-CE1 3.72Å; A90-Y130 PolarHBondContact O-OH 2.83Å; Y91-Y130 AromaticContact CD2-CD2 3.89Å; Y91-Y130 HydrophobicContact CD2-CD2 3.89Å; Y91-Y130 HydrophobicContact CD2-CE2 4.41Å; Y91-Y130 HydrophobicContact CD2-CG 4.21Å; Y91-Y130 HydrophobicContact CG-CD2 4.5Å; Y91-Y130 HydrophobicContact CG-CG 4.49Å; D94-Y130 VanDerWaalsContact CG-OH 3.31Å; D94-Y130 WeakPolarHBondContact OD2-CE2 3.33Å; D94-Y130 VanDerWaalsContact OD2-CZ 3.26Å; D94-Y130 PolarHBondContact OD2-OH 3.12Å; T126-Y130 HydrophobicContact CG2-CD2 3.93Å; T126-Y130 HydrophobicContact CG2-CE2 3.82Å; T126-Y130 WeakPolarHBondContact O-CD2 3.36Å; T126-Y130 PolarHBondContact O-N 3.18Å; T126-Y130 VanDerWaalsContact O-N 3.14Å; K127-Y130 PolarHBondContact O-N 3.15Å; K128-Y130 VanDerWaalsContact C-N 3.27Å; K128-Y130 PolarHBondContact O-N 3.35Å; Y130-R136 VanDerWaalsContact O-CZ 3.23Å; Y130-R136 PolarHBondContact O-NE 2.64Å; Y130-R136 PolarHBondContact O-NH2 3.29Å; Y130-I142 HydrophobicContact CE1-CD1 3.92Å
131I84.3Confident75.6Confident55 Ų5577.2 Ų77.228%0.28240%0.398SS..Hα-helixtrans-85.1-38.9175.8-64.1171.7000111.4L2 K127 K128 S133 R136L2-I131 HydrophobicContact CB-CD1 4.14Å; L2-I131 HydrophobicContact CB-CG1 4.43Å; L2-I131 HydrophobicContact CD1-CG1 4.25Å; L2-I131 HydrophobicContact CG-CG1 4.35Å; K127-I131 HydrophobicContact CD-CD1 4.22Å; K127-I131 HydrophobicContact CG-CD1 3.67Å; K127-I131 HydrophobicContact CG-CG1 4.37Å; K127-I131 WeakPolarHBondContact O-CG1 3.35Å; K127-I131 PolarHBondContact O-N 3.43Å; K128-I131 PolarHBondContact O-N 2.88Å; I131-S133 PolarHBondContact O-N 3.11Å; I131-R136 PolarHBondContact O-NH2 2.86Å
132D80.3Confident74.1Confident79 Ų7973.8 Ų73.842%0.42238%0.375SS..  trans-75.9111.6-176.6-174.2-4.9000112.2K128 R134 A135 R136K128-D132 WeakPolarHBondContact O-CB 3.28Å; K128-D132 PolarHBondContact O-N 3.08Å; D132-R134 PolarHBondContact O-N 3.21Å; D132-R134 VanDerWaalsContact O-N 3.08Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 3.08Å; D132-A135 HydrophobicContact CB-CB 4.04Å; D132-A135 PolarHBondContact O-N 3.39Å; D132-R136 WeakPolarHBondContact O-CG 3.35Å; D132-R136 PolarHBondContact O-N 2.99Å
133S67.3Low72.1Confident80 Ų8076.7 Ų76.756%0.55939%0.394SS*.Hα-helixtrans-54.6-26.4177.2-55.90000114I131I131-S133 PolarHBondContact O-N 3.11Å
134R63.3Low70.2Confident183 Ų18381.9 Ų81.969%0.69143%0.426SS*.Hα-helixtrans-74.8-43.3174.7-72.7-172.6-107.6-159.4-6.1111.8D132 R136 R137D132-R134 PolarHBondContact O-N 3.21Å; D132-R134 VanDerWaalsContact O-N 3.08Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 3.08Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.22Å; R134-R137 PolarHBondContact O-N 3.43Å
135A61.9Low68.3Low26 Ų2687.2 Ų87.222%0.21545%0.451CS..Hα-helixtrans-64.4-35175.400000111.7D132 R137 N138D132-A135 HydrophobicContact CB-CB 4.04Å; D132-A135 PolarHBondContact O-N 3.39Å; A135-R137 VanDerWaalsContact C-N 3.27Å; A135-R137 PolarHBondContact O-N 3.47Å; A135-N138 PolarHBondContact O-N 2.76Å; A135-N138 VanDerWaalsContact O-N 3.08Å
136R61.8Low66.6Low81 Ų8181.3 Ų81.331%0.30643%0.426SS..Hα-helixtrans-58.3-31.5175.5-67.7-178.8-151.5178.67.7114.6Y130 I131 D132 R134 N138 L139Y130-R136 VanDerWaalsContact O-CZ 3.23Å; Y130-R136 PolarHBondContact O-NE 2.64Å; Y130-R136 PolarHBondContact O-NH2 3.29Å; I131-R136 PolarHBondContact O-NH2 2.86Å; D132-R136 WeakPolarHBondContact O-CG 3.35Å; D132-R136 PolarHBondContact O-N 2.99Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.22Å; R136-N138 PolarHBondContact O-N 3.44Å; R136-L139 WeakPolarHBondContact O-CB 3.25Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-L139 VanDerWaalsContact O-N 3.16Å
137R58.6Low64.7Low193 Ų19388.5 Ų88.573%0.72846%0.459SS*.THydrogen-bonded Turntrans-68.1-24.8177.6-76.2-171.6-74.5-149.9-1.4113R134 A135 L139R134-R137 PolarHBondContact O-N 3.43Å; A135-R137 VanDerWaalsContact C-N 3.27Å; A135-R137 PolarHBondContact O-N 3.47Å; R137-L139 VanDerWaalsContact C-N 3.35Å
138N55.5Low63.1Low148 Ų14892.2 Ų92.279%0.79148%0.479SS*.THydrogen-bonded Turntrans-82.8-14.9174.8-63-29.4000112.4A135 R136 G140A135-N138 PolarHBondContact O-N 2.76Å; A135-N138 VanDerWaalsContact O-N 3.08Å; R136-N138 PolarHBondContact O-N 3.44Å; N138-G140 PolarHBondContact O-N 2.87Å
139L60.6Low61.9Low51 Ų5188.6 Ų88.627%0.26747%0.467SS..  trans-83.328.4173.6-66.6167.9000112.1R136 R137 S141 I142R136-L139 WeakPolarHBondContact O-CB 3.25Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-L139 VanDerWaalsContact O-N 3.16Å; R137-L139 VanDerWaalsContact C-N 3.35Å; L139-S141 PolarHBondContact O-N 3.39Å; L139-I142 HydrophobicContact CB-CD1 3.64Å; L139-I142 HydrophobicContact CB-CG1 4.12Å; L139-I142 HydrophobicContact CD1-CD1 3.98Å; L139-I142 HydrophobicContact CD2-CD1 4.2Å; L139-I142 HydrophobicContact CG-CD1 4.15Å; L139-I142 WeakPolarHBondContact O-CG1 3.34Å; L139-I142 PolarHBondContact O-N 3Å
140G52.2Low60.6Low59 Ų5995.4 Ų95.461%0.60849%0.494SS*.THydrogen-bonded Turntrans-56.9-9-168.600000116.7N138N138-G140 PolarHBondContact O-N 2.87Å
141S51.2Low60Low93 Ų93104.2 Ų104.265%0.6553%0.527SS*.THydrogen-bonded Turntrans-96.4-4.6178.554.70000115.4L139 N143 T144L139-S141 PolarHBondContact O-N 3.39Å; S141-N143 PolarHBondContact O-N 3.42Å; S141-T144 PolarHBondContact O-N 3Å; S141-T144 PolarHBondContact O-OG1 2.99Å; S141-T144 VanDerWaalsContact O-OG1 3.11Å
142I55.7Low60Low36 Ų36102.5 Ų102.519%0.18552%0.519CS..THydrogen-bonded Turntrans-60.3-6.7176.4-69.8-177.3000112.7A90 Y130 L139 T144 L146A90-I142 HydrophobicContact CB-CD1 4.5Å; A90-I142 HydrophobicContact CB-CG2 4.22Å; Y130-I142 HydrophobicContact CE1-CD1 3.92Å; L139-I142 HydrophobicContact CB-CD1 3.64Å; L139-I142 HydrophobicContact CB-CG1 4.12Å; L139-I142 HydrophobicContact CD1-CD1 3.98Å; L139-I142 HydrophobicContact CD2-CD1 4.2Å; L139-I142 HydrophobicContact CG-CD1 4.15Å; L139-I142 WeakPolarHBondContact O-CG1 3.34Å; L139-I142 PolarHBondContact O-N 3Å; I142-T144 VanDerWaalsContact C-N 3.33Å; I142-T144 PolarHBondContact O-N 3.46Å; I142-L146 HydrophobicContact CG2-CD1 3.37Å
143N49.3Very low60.4Low119 Ų119102.6 Ų102.664%0.63652%0.517SS*.THydrogen-bonded Turntrans-74.9-13.2177.6-83.1-50.1000115.6K86 S141K86-N143 PolarHBondContact NZ-OD1 3.17Å; S141-N143 PolarHBondContact O-N 3.42Å
144T50.6Low61.6Low109 Ų109102 Ų10267%0.66951%0.51SS*.THydrogen-bonded Turntrans-97.8-25-165.9-170000114.9S141 I142S141-T144 PolarHBondContact O-N 3Å; S141-T144 PolarHBondContact O-OG1 2.99Å; S141-T144 VanDerWaalsContact O-OG1 3.11Å; I142-T144 VanDerWaalsContact C-N 3.33Å; I142-T144 PolarHBondContact O-N 3.46Å
145E49.7Very low63Low179 Ų17994.2 Ų94.284%0.83649%0.485SS*.THydrogen-bonded Turntrans-108-10.8-178.1-77.5-179.1159.900115Q147E145-Q147 VanDerWaalsContact C-N 3.28Å; E145-Q147 PolarHBondContact O-N 3.36Å
146L54.3Low64.5Low25 Ų2595.9 Ų95.913%0.13149%0.491CS..G310 helixtrans-92.338.2-178.7-72.3160.7000113.2K86 A90 I142 D148K86-L146 HydrophobicContact CD-CB 4.21Å; K86-L146 HydrophobicContact CD-CD1 4.17Å; K86-L146 HydrophobicContact CG-CB 3.98Å; K86-L146 HydrophobicContact CG-CD1 3.44Å; K86-L146 VanDerWaalsContact CG-CD1 3.44Å; K86-L146 HydrophobicContact CG-CD2 4.48Å; K86-L146 HydrophobicContact CG-CG 4.17Å; A90-L146 HydrophobicContact CB-CD1 3.79Å; I142-L146 HydrophobicContact CG2-CD1 3.37Å; L146-D148 PolarHBondContact O-N 3.1Å
147Q51.1Low65.9Low164 Ų16492.1 Ų92.177%0.76648%0.476SS*.G310 helixtrans-70.1-12.4172.1-72.7-167.9-17.100112.5E145E145-Q147 VanDerWaalsContact C-N 3.28Å; E145-Q147 PolarHBondContact O-N 3.36Å
148D57.2Low67.3Low79 Ų7988.1 Ų88.142%0.42247%0.466SS..G310 helixtrans-102.716.5-169.4-87.79.3000115.8L146 Q150 R151L146-D148 PolarHBondContact O-N 3.1Å; D148-Q150 PolarHBondContact O-N 3.37Å; D148-Q150 VanDerWaalsContact O-N 3.07Å; D148-R151 PolarHBondContact O-N 3.25Å; D148-R151 IonicContact OD1-CZ 3.75Å; D148-R151 IonicContact OD1-NH1 2.78Å; D148-R151 PolarHBondContact OD1-NH1 3.04Å; D148-R151 IonicContact OD2-CZ 3.85Å; D148-R151 IonicContact OD2-NH1 2.75Å; D148-R151 PolarHBondContact OD2-NH1 2.63Å
149V61.3Low68.7Low50 Ų5086.6 Ų86.630%0.30345%0.454SS..G310 helixtrans-57.7-27175.9178.40000111.9K86 R151 I152K86-V149 HydrophobicContact CB-CG2 4.17Å; K86-V149 HydrophobicContact CG-CG2 4.33Å; V149-R151 VanDerWaalsContact C-N 3.26Å; V149-R151 PolarHBondContact O-N 3.01Å; V149-I152 HydrophobicContact CB-CD1 4.2Å; V149-I152 HydrophobicContact CG1-CD1 3.96Å; V149-I152 HydrophobicContact CG2-CD1 4.45Å; V149-I152 WeakPolarHBondContact O-CB 3.23Å; V149-I152 WeakPolarHBondContact O-CG1 2.99Å; V149-I152 PolarHBondContact O-N 2.86Å
150Q59.9Low70Confident191 Ų19186 Ų8689%0.89345%0.453SS*.G310 helixtrans-67.8-19.8177.6-66.8-176.6-9.900114.1D148D148-Q150 PolarHBondContact O-N 3.37Å; D148-Q150 VanDerWaalsContact O-N 3.07Å
151R73.1Confident71.5Confident189 Ų18984.4 Ų84.471%0.71343%0.43SS*.G310 helixtrans-89.3-0.8179-67.2-176.7174.9120.98.2113.5D148 V149 M153D148-R151 PolarHBondContact O-N 3.25Å; D148-R151 IonicContact OD1-CZ 3.75Å; D148-R151 IonicContact OD1-NH1 2.78Å; D148-R151 PolarHBondContact OD1-NH1 3.04Å; D148-R151 IonicContact OD2-CZ 3.85Å; D148-R151 IonicContact OD2-NH1 2.75Å; D148-R151 PolarHBondContact OD2-NH1 2.63Å; V149-R151 VanDerWaalsContact C-N 3.26Å; V149-R151 PolarHBondContact O-N 3.01Å; R151-M153 PolarHBondContact O-N 3.36Å
152I84.7Confident72.6Confident19 Ų1987 Ų8710%0.09743%0.432CS..  trans-75.8120.3-178.3-62.3166.5000109.1R55 F89 V149 V154R55-I152 HydrophobicContact CB-CG1 4.26Å; F89-I152 HydrophobicContact CD2-CD1 3.51Å; F89-I152 HydrophobicContact CD2-CG1 4.5Å; F89-I152 HydrophobicContact CE2-CD1 3.55Å; F89-I152 HydrophobicContact CE2-CG1 4.21Å; F89-I152 HydrophobicContact CE2-CG2 3.73Å; F89-I152 HydrophobicContact CG-CD1 4.05Å; F89-I152 HydrophobicContact CZ-CD1 4.1Å; F89-I152 HydrophobicContact CZ-CG1 4.29Å; F89-I152 HydrophobicContact CZ-CG2 3.66Å; V149-I152 HydrophobicContact CB-CD1 4.2Å; V149-I152 HydrophobicContact CG1-CD1 3.96Å; V149-I152 HydrophobicContact CG2-CD1 4.45Å; V149-I152 WeakPolarHBondContact O-CB 3.23Å; V149-I152 WeakPolarHBondContact O-CG1 2.99Å; V149-I152 PolarHBondContact O-N 2.86Å; I152-V154 PolarHBondContact O-N 2.84Å
153M89.3Confident72.9Confident80 Ų8095 Ų9539%0.39446%0.459SS..EExtended strand (participates in β ladder)trans-66134.2174.3-171.6177.982.600110P53 R55 C56 T57 R151 A155P53-M153 HydrophobicContact CB-CB 4.35Å; P53-M153 HydrophobicContact CB-CE 4.39Å; P53-M153 HydrophobicContact CB-SD 4.38Å; P53-M153 HydrophobicContact CG-CE 3.56Å; P53-M153 HydrophobicContact CG-SD 3.56Å; P53-M153 VanDerWaalsContact CG-SD 3.56Å; R55-M153 PolarHBondContact O-N 3.46Å; C56-M153 CarbonylContact C-O 3.55Å; C56-M153 VanDerWaalsContact CA-O 3.22Å; C56-M153 WeakPolarHBondContact CA-O 3.31Å; C56-M153 HydrophobicContact CB-CB 4.23Å; C56-M153 HydrophobicContact CB-CE 4.37Å; C56-M153 VanDerWaalsContact SG-CE 3.5Å; C56-M153 PolarHBondContact SG-O 3.04Å; T57-M153 PolarHBondContact N-O 2.89Å; R151-M153 PolarHBondContact O-N 3.36Å; M153-A155 HydrophobicContact CE-CB 4.26Å
154V93.1Very high73.2Confident67 Ų6792.2 Ų92.241%0.40646%0.46SS..EExtended strand (participates in β ladder)trans-114.3127.2171.9-1740000108.3T57 E59 I152T57-V154 VanDerWaalsContact O-CA 3.31Å; T57-V154 WeakPolarHBondContact O-CA 3.47Å; E59-V154 HydrophobicContact CG-CG1 4.02Å; I152-V154 PolarHBondContact O-N 2.84Å
155A92.9Very high73.1Confident21 Ų2192.8 Ų92.817%0.17446%0.455CS..EExtended strand (participates in β ladder)trans-142.7168.4176.400000110.5T57 L58 E59 M153 V160T57-A155 PolarHBondContact O-N 3.38Å; L58-A155 CarbonylContact C-O 3.55Å; L58-A155 WeakPolarHBondContact CA-O 3.17Å; L58-A155 HydrophobicContact CD2-CB 3.84Å; E59-A155 PolarHBondContact N-O 3.27Å; M153-A155 HydrophobicContact CE-CB 4.26Å; A155-V160 HydrophobicContact CB-CG2 4.37Å
156N92.8Very high72.7Confident61 Ų6188.4 Ų88.433%0.32645%0.449SS..EExtended strand (participates in β ladder)trans-84.5138173.1-167.9-62.4000110.1E158 E159 V160N156-E158 VanDerWaalsContact C-N 3.26Å; N156-E158 PolarHBondContact O-N 3.03Å; N156-E158 VanDerWaalsContact OD1-CB 3.29Å; N156-E158 WeakPolarHBondContact OD1-CB 2.99Å; N156-E158 PolarHBondContact OD1-N 3.34Å; N156-E159 HydrophobicContact CB-CB 4.3Å; N156-E159 PolarHBondContact O-N 3.5Å; N156-V160 PolarHBondContact O-N 3.27Å
157I90.6Very high72.5Confident1 Ų196 Ų961%0.00549%0.489CS..Hα-helixtrans-60.6-38177.9-17059.1000111.5L44 L58 E59 A60 F65 E159 V160 L161L44-I157 HydrophobicContact CD2-CD1 4.48Å; L58-I157 HydrophobicContact CB-CB 4.12Å; L58-I157 HydrophobicContact CB-CD1 4Å; L58-I157 HydrophobicContact CD1-CD1 3.49Å; L58-I157 VanDerWaalsContact CD1-CD1 3.49Å; L58-I157 HydrophobicContact CG-CD1 4.36Å; E59-I157 WeakPolarHBondContact O-CG2 3.41Å; E59-I157 PolarHBondContact O-N 3.16Å; A60-I157 HydrophobicContact CB-CB 4.3Å; A60-I157 HydrophobicContact CB-CG2 3.61Å; F65-I157 HydrophobicContact CD2-CD1 4.15Å; F65-I157 HydrophobicContact CD2-CG1 4.15Å; F65-I157 HydrophobicContact CE2-CD1 4.41Å; F65-I157 HydrophobicContact CE2-CG1 4.11Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 3.12Å; I157-V160 PolarHBondContact O-N 3.29Å; I157-L161 HydrophobicContact CD1-CD1 4.06Å; I157-L161 HydrophobicContact CD1-CD2 4.38Å; I157-L161 HydrophobicContact CD1-CG 4Å; I157-L161 HydrophobicContact CG1-CD1 3.68Å; I157-L161 HydrophobicContact CG1-CG 4.02Å; I157-L161 WeakPolarHBondContact O-CB 3.45Å; I157-L161 WeakPolarHBondContact O-CG 3.29Å; I157-L161 PolarHBondContact O-N 3.48Å
158E87.6Confident72Confident109 Ų10991.6 Ų91.651%0.50948%0.476SS..Hα-helixtrans-64.9-38.6-178.3-62.9175.617900110.9N156 V160 L161 Q162N156-E158 VanDerWaalsContact C-N 3.26Å; N156-E158 PolarHBondContact O-N 3.03Å; N156-E158 VanDerWaalsContact OD1-CB 3.29Å; N156-E158 WeakPolarHBondContact OD1-CB 2.99Å; N156-E158 PolarHBondContact OD1-N 3.34Å; E158-V160 PolarHBondContact O-N 3.45Å; E158-L161 PolarHBondContact O-N 2.99Å; E158-Q162 WeakPolarHBondContact O-CB 3.41Å; E158-Q162 WeakPolarHBondContact O-CG 3.1Å; E158-Q162 PolarHBondContact O-N 3.07Å
159E86.4Confident71.6Confident116 Ų11692.5 Ų92.554%0.54250%0.495SS..Hα-helixtrans-63.7-42.5176.8-172.2-176.7173.500111.7N156 I157 R163N156-E159 HydrophobicContact CB-CB 4.3Å; N156-E159 PolarHBondContact O-N 3.5Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 3.12Å; E159-R163 PolarHBondContact O-N 3.33Å
160V86.9Confident71Confident40 Ų4093.3 Ų93.324%0.24250%0.497CS..Hα-helixtrans-68.9-37.7178.4177.90000111.5L44 L58 A155 N156 I157 E158L44-V160 HydrophobicContact CD1-CG1 3.92Å; L58-V160 HydrophobicContact CD2-CG2 3.73Å; A155-V160 HydrophobicContact CB-CG2 4.37Å; N156-V160 PolarHBondContact O-N 3.27Å; I157-V160 PolarHBondContact O-N 3.29Å; E158-V160 PolarHBondContact O-N 3.45Å
161L84.9Confident70.4Confident25 Ų2591.7 Ų91.713%0.13149%0.494CS..Hα-helixtrans-79.7-36.5-179-64.8-176.7000113Q40 Q43 L44 I157 E158 R163Q40-L161 HydrophobicContact CB-CD1 3.95Å; Q40-L161 HydrophobicContact CG-CD1 3.84Å; Q43-L161 HydrophobicContact CB-CD2 3.63Å; L44-L161 HydrophobicContact CB-CD2 4.38Å; I157-L161 HydrophobicContact CD1-CD1 4.06Å; I157-L161 HydrophobicContact CD1-CD2 4.38Å; I157-L161 HydrophobicContact CD1-CG 4Å; I157-L161 HydrophobicContact CG1-CD1 3.68Å; I157-L161 HydrophobicContact CG1-CG 4.02Å; I157-L161 WeakPolarHBondContact O-CB 3.45Å; I157-L161 WeakPolarHBondContact O-CG 3.29Å; I157-L161 PolarHBondContact O-N 3.48Å; E158-L161 PolarHBondContact O-N 2.99Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.32Å
162Q72.9Confident69Low146 Ų14687.6 Ų87.668%0.68250%0.495SS*.Hα-helixtrans-74-20.7-179.1-73.8175.611.400113.1E158 G164E158-Q162 WeakPolarHBondContact O-CB 3.41Å; E158-Q162 WeakPolarHBondContact O-CG 3.1Å; E158-Q162 PolarHBondContact O-N 3.07Å; Q162-G164 PolarHBondContact O-N 3.42Å
163R61.9Low67Low204 Ų20495.1 Ų95.177%0.7753%0.527SS*.THydrogen-bonded Turntrans-68.381.6171.1-122.2175.9-178.9171.51.6109.8K47 E159 L161K47-R163 PolarHBondContact NZ-O 3.5Å; E159-R163 PolarHBondContact O-N 3.33Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.32Å
164G55.3Low65Low62 Ų6292.8 Ų92.864%0.63952%0.52SS*.THydrogen-bonded Turntrans125.67.4156.600000119.5Q162Q162-G164 PolarHBondContact O-N 3.42Å
165E49.6Very low62.7Low121 Ų12193.5 Ų93.557%0.56553%0.528SS*.  trans-146.2118.3169.9-71.5-171166.200113.5L167E165-L167 PolarHBondContact O-N 2.91Å
166A41.4Very low60.7Low87 Ų8797.4 Ų97.472%0.71955%0.546SS*.SBendtrans-59124.5151.900000108.6S168A166-S168 VanDerWaalsContact C-N 3.35Å; A166-S168 PolarHBondContact O-N 2.96Å; A166-S168 PolarHBondContact O-OG 3.37Å
167L50.5Low58.7Low183 Ų18395.9 Ų95.996%0.95854%0.538SS*.  trans25.561.4148.1-91126.3000116.1E165 A169E165-L167 PolarHBondContact O-N 2.91Å; L167-A169 PolarHBondContact O-N 3.14Å
168S40.2Very low57Low72 Ų7298.6 Ų98.650%0.50356%0.557SS.*  trans-10083177.8-64.30000109.9A166 L170A166-S168 VanDerWaalsContact C-N 3.35Å; A166-S168 PolarHBondContact O-N 2.96Å; A166-S168 PolarHBondContact O-OG 3.37Å; S168-L170 PolarHBondContact O-N 2.86Å
169A48.7Very low55.1Low99 Ų9996 Ų9682%0.81855%0.551SS**  trans22.284156.900000116.6L167L167-A169 PolarHBondContact O-N 3.14Å
170L49.1Very low53.6Low67 Ų6793.4 Ų93.435%0.35154%0.54SS..  trans-108.527.1178.4-91.1165.2000113.9Q43 S168Q43-L170 HydrophobicContact CG-CD1 3.8Å; S168-L170 PolarHBondContact O-N 2.86Å
171D46.9Very low52Low156 Ų15694.9 Ų94.983%0.83455%0.553SS**SBendtrans-95.7-15.4-173.9-150.425.5000115
172S42.4Very low50.6Low103 Ų103100.1 Ų100.172%0.7257%0.574SS**SBendtrans-100.9-3.8-171.674.80000117
173K43.5Very low49.8Very low178 Ų17899.7 Ų99.777%0.77457%0.57SS**SBendtrans-1232.7-176.7-76.8-170.2178.6-1720116.2S175K173-S175 VanDerWaalsContact C-N 3.35Å
174A46.5Very low49.6Very low30 Ų3094.3 Ų94.325%0.24855%0.55CS.*SBendtrans-77.5-19.2176.800000113.7N176A174-N176 VanDerWaalsContact C-N 3.33Å; A174-N176 PolarHBondContact O-N 3.35Å
175S45.5Very low49.7Very low83 Ų8398.6 Ų98.658%0.5855%0.547SS*.Hα-helixtrans-67.9-24.2-175.654.90000114.8K173 L177 S179K173-S175 VanDerWaalsContact C-N 3.35Å; S175-L177 VanDerWaalsContact C-N 3.31Å; S175-L177 PolarHBondContact O-N 3.08Å; S175-S179 PolarHBondContact O-N 3.18Å; S175-S179 PolarHBondContact O-OG 2.95Å
176N50.4Low50.2Low102 Ų10296 Ų9655%0.54554%0.543SS..Hα-helixtrans-74.5-16.4-177.7-93.9-43.7000114.3A174 S179 L180A174-N176 VanDerWaalsContact C-N 3.33Å; A174-N176 PolarHBondContact O-N 3.35Å; N176-S179 WeakPolarHBondContact CA-OG 3.38Å; N176-S179 PolarHBondContact O-OG 3.47Å; N176-L180 WeakPolarHBondContact O-CB 3.03Å; N176-L180 WeakPolarHBondContact O-CD1 3.39Å; N176-L180 PolarHBondContact O-N 3.37Å
177L51.7Low51.1Low30 Ų3095 Ų9516%0.15753%0.525CS..Hα-helixtrans-92-37.6-176-67.4173.1000113.6K42 Y114 S175 S179 L180 S181K42-L177 VanDerWaalsContact CE-CD1 3.45Å; K42-L177 VanDerWaalsContact NZ-CD1 3.33Å; Y114-L177 HydrophobicContact CD2-CD2 3.67Å; Y114-L177 HydrophobicContact CE2-CD1 3.94Å; Y114-L177 HydrophobicContact CE2-CD2 3.05Å; Y114-L177 HydrophobicContact CE2-CG 4.11Å; Y114-L177 VanDerWaalsContact OH-CD1 3.28Å; Y114-L177 WeakPolarHBondContact OH-CD1 3.47Å; S175-L177 VanDerWaalsContact C-N 3.31Å; S175-L177 PolarHBondContact O-N 3.08Å; L177-S179 PolarHBondContact O-N 3.4Å; L177-L180 PolarHBondContact O-N 3.02Å; L177-S181 PolarHBondContact O-N 3.4Å; L177-S181 VanDerWaalsContact O-N 3.08Å; L177-S181 PolarHBondContact O-OG 2.9Å
178S53.8Low51.7Low57 Ų5789.3 Ų89.340%0.39950%0.504SS..Hα-helixtrans-61.6-37.7167.2-177.30000110.7K182S178-K182 VanDerWaalsContact O-CB 3.31Å; S178-K182 WeakPolarHBondContact O-CB 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.23Å; S178-K182 WeakPolarHBondContact O-CG 3.19Å; S178-K182 PolarHBondContact O-N 3.3Å
179S49.4Very low52.8Low56 Ų5692.8 Ų92.839%0.39251%0.511SS..Hα-helixtrans-69.7-37.8178.570.10000113.1S175 N176 L177 K183S175-S179 PolarHBondContact O-N 3.18Å; S175-S179 PolarHBondContact O-OG 2.95Å; N176-S179 WeakPolarHBondContact CA-OG 3.38Å; N176-S179 PolarHBondContact O-OG 3.47Å; L177-S179 PolarHBondContact O-N 3.4Å; S179-K183 VanDerWaalsContact O-CB 3.3Å; S179-K183 WeakPolarHBondContact O-CB 3.43Å; S179-K183 PolarHBondContact O-N 3.43Å
180L54.3Low53.8Low61 Ų6195.5 Ų95.532%0.31950%0.501SS..Hα-helixtrans-67.6-46.1175.7-95.3137.5000112N176 L177 K182 K183 Y184N176-L180 WeakPolarHBondContact O-CB 3.03Å; N176-L180 WeakPolarHBondContact O-CD1 3.39Å; N176-L180 PolarHBondContact O-N 3.37Å; L177-L180 PolarHBondContact O-N 3.02Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.84Å; L180-K183 PolarHBondContact O-N 2.99Å; L180-K183 VanDerWaalsContact O-N 3.16Å; L180-Y184 HydrophobicContact CD2-CE2 3.7Å; L180-Y184 WeakPolarHBondContact O-CD2 3.18Å; L180-Y184 PolarHBondContact O-N 2.98Å
181S53.5Low54.7Low71 Ų7197.5 Ų97.550%0.49751%0.511SS..Hα-helixtrans-63.1-38.5175.7-59.90000112.4L177 Y184 R185L177-S181 PolarHBondContact O-N 3.4Å; L177-S181 VanDerWaalsContact O-N 3.08Å; L177-S181 PolarHBondContact O-OG 2.9Å; S181-Y184 PolarHBondContact O-N 2.84Å; S181-R185 PolarHBondContact O-N 2.95Å
182K54.9Low55.9Low135 Ų13595.4 Ų95.459%0.58750%0.5SS*.Hα-helixtrans-64.3-39.7172.8-76.9176.7-178.8178.60112.2S178 L180 R185 S186S178-K182 VanDerWaalsContact O-CB 3.31Å; S178-K182 WeakPolarHBondContact O-CB 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.23Å; S178-K182 WeakPolarHBondContact O-CG 3.19Å; S178-K182 PolarHBondContact O-N 3.3Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.84Å; K182-R185 PolarHBondContact O-N 3.23Å; K182-S186 WeakPolarHBondContact O-CB 3.3Å; K182-S186 PolarHBondContact O-N 3.16Å
183K56.3Low57.2Low136 Ų13694.6 Ų94.659%0.59149%0.491SS*.Hα-helixtrans-65.6-39.3176.4-166.2173.2-179-179.50111.7S179 L180 S186 D187S179-K183 VanDerWaalsContact O-CB 3.3Å; S179-K183 WeakPolarHBondContact O-CB 3.43Å; S179-K183 PolarHBondContact O-N 3.43Å; L180-K183 PolarHBondContact O-N 2.99Å; L180-K183 VanDerWaalsContact O-N 3.16Å; K183-S186 CarbonylContact O-C 3.5Å; K183-S186 WeakPolarHBondContact O-CA 3.23Å; K183-S186 WeakPolarHBondContact O-CB 3.31Å; K183-S186 PolarHBondContact O-N 3.42Å; K183-D187 PolarHBondContact O-N 3.43Å
184Y56.6Low58.7Low92 Ų9294.3 Ų94.336%0.36149%0.485SS..Hα-helixtrans-69.3-37.7174-74-66000113.8I117 L180 S181 S186 D187 A188I117-Y184 HydrophobicContact CD1-CD1 4.35Å; I117-Y184 HydrophobicContact CD1-CE1 3.48Å; I117-Y184 VanDerWaalsContact CD1-CE1 3.48Å; I117-Y184 HydrophobicContact CD1-CE2 3.87Å; I117-Y184 WeakPolarHBondContact CD1-OH 3.47Å; L180-Y184 HydrophobicContact CD2-CE2 3.7Å; L180-Y184 WeakPolarHBondContact O-CD2 3.18Å; L180-Y184 PolarHBondContact O-N 2.98Å; S181-Y184 PolarHBondContact O-N 2.84Å; Y184-S186 PolarHBondContact O-N 2.83Å; Y184-D187 PolarHBondContact O-N 2.88Å; Y184-A188 WeakPolarHBondContact O-CB 3.21Å; Y184-A188 PolarHBondContact O-N 3.06Å
185R59.2Low59.9Low151 Ų15195.5 Ų95.557%0.5749%0.491SS*.Hα-helixtrans-59.3-39.7170.2-179.7173.5172.2137.74.1111E24 S181 K182 K189E24-R185 IonicContact OE1-CZ 3.49Å; E24-R185 VanDerWaalsContact OE1-CZ 3.25Å; E24-R185 IonicContact OE1-NH1 2.76Å; E24-R185 PolarHBondContact OE1-NH1 2.98Å; E24-R185 IonicContact OE1-NH2 3.34Å; E24-R185 PolarHBondContact OE1-NH2 3.17Å; S181-R185 PolarHBondContact O-N 2.95Å; K182-R185 PolarHBondContact O-N 3.23Å; R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 3.3Å; R185-K189 VanDerWaalsContact O-N 3.15Å
186S60.2Low61.2Low68 Ų6895.2 Ų95.248%0.47649%0.486SS..Hα-helixtrans-60.7-50.2171.7146.20000111.4K182 K183 Y184 K189 Y190K182-S186 WeakPolarHBondContact O-CB 3.3Å; K182-S186 PolarHBondContact O-N 3.16Å; K183-S186 CarbonylContact O-C 3.5Å; K183-S186 WeakPolarHBondContact O-CA 3.23Å; K183-S186 WeakPolarHBondContact O-CB 3.31Å; K183-S186 PolarHBondContact O-N 3.42Å; Y184-S186 PolarHBondContact O-N 2.83Å; S186-K189 PolarHBondContact O-N 3.4Å; S186-Y190 WeakPolarHBondContact O-CB 3.34Å; S186-Y190 PolarHBondContact O-N 3.15Å
187D60.4Low62.8Low65 Ų6599 Ų9935%0.34849%0.494SS..Hα-helixtrans-69.8-40.8-173.7-65.9-8.6000112.1K183 Y184 Y190 L191K183-D187 PolarHBondContact O-N 3.43Å; Y184-D187 PolarHBondContact O-N 2.88Å; D187-Y190 WeakPolarHBondContact O-CB 3.45Å; D187-Y190 PolarHBondContact O-N 3.47Å; D187-L191 WeakPolarHBondContact O-CG 3.37Å; D187-L191 PolarHBondContact O-N 3.46Å
188A62.7Low64Low63 Ų63100.5 Ų100.552%0.52151%0.51SS..Hα-helixtrans-65.5-40.3174.700000112.1Y184 Y190 L191 N192Y184-A188 WeakPolarHBondContact O-CB 3.21Å; Y184-A188 PolarHBondContact O-N 3.06Å; A188-Y190 VanDerWaalsContact C-N 3.33Å; A188-L191 PolarHBondContact O-N 2.96Å; A188-N192 WeakPolarHBondContact O-CB 3.4Å; A188-N192 PolarHBondContact O-N 3.28Å
189K63.1Low65.3Low146 Ų146105 Ų10564%0.63552%0.523SS*.Hα-helixtrans-66.7-37.3175.2-165.6176.6-175.5-176.70111.2R185 S186 N192 T193R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 3.3Å; R185-K189 VanDerWaalsContact O-N 3.15Å; S186-K189 PolarHBondContact O-N 3.4Å; K189-N192 PolarHBondContact O-N 3.49Å; K189-T193 WeakPolarHBondContact O-CB 3.48Å; K189-T193 PolarHBondContact O-N 3.43Å; K189-T193 PolarHBondContact O-OG1 3.12Å
190Y69.9Low67.1Low155 Ų155108.7 Ų108.761%0.60854%0.537SS*.Hα-helixtrans-62.4-47.6175.6178-100.7000111.9S186 D187 A188 N192 T193 R194S186-Y190 WeakPolarHBondContact O-CB 3.34Å; S186-Y190 PolarHBondContact O-N 3.15Å; D187-Y190 WeakPolarHBondContact O-CB 3.45Å; D187-Y190 PolarHBondContact O-N 3.47Å; A188-Y190 VanDerWaalsContact C-N 3.33Å; Y190-N192 PolarHBondContact O-N 3.5Å; Y190-T193 PolarHBondContact O-N 3.47Å; Y190-R194 PolarHBondContact O-N 2.72Å
191L67.2Low68.8Low110 Ų110108.2 Ų108.258%0.57654%0.543SS*.Hα-helixtrans-63-41.1177-67.7175.3000112.3D187 A188 R194 S195D187-L191 WeakPolarHBondContact O-CG 3.37Å; D187-L191 PolarHBondContact O-N 3.46Å; A188-L191 PolarHBondContact O-N 2.96Å; L191-R194 PolarHBondContact O-N 2.67Å; L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 VanDerWaalsContact O-N 3.12Å
192N72.2Confident70.4Confident111 Ų111108 Ų10859%0.59455%0.545SS*.Hα-helixtrans-67.5-36177.6-162.525.4000112.6A188 K189 Y190 S195 T196A188-N192 WeakPolarHBondContact O-CB 3.4Å; A188-N192 PolarHBondContact O-N 3.28Å; K189-N192 PolarHBondContact O-N 3.49Å; Y190-N192 PolarHBondContact O-N 3.5Å; N192-S195 PolarHBondContact O-N 3.11Å; N192-T196 PolarHBondContact O-N 2.87Å; N192-T196 VanDerWaalsContact O-N 3.16Å; N192-T196 PolarHBondContact O-OG1 3.48Å
193T69.8Low72.1Confident87 Ų87103.6 Ų103.653%0.53454%0.538SS..Hα-helixtrans-67.5-42.3176.7-55.20000111.1K189 Y190 S195 T196 Y197K189-T193 WeakPolarHBondContact O-CB 3.48Å; K189-T193 PolarHBondContact O-N 3.43Å; K189-T193 PolarHBondContact O-OG1 3.12Å; Y190-T193 PolarHBondContact O-N 3.47Å; T193-S195 PolarHBondContact O-N 3.48Å; T193-T196 PolarHBondContact O-N 3.35Å; T193-Y197 PolarHBondContact O-N 2.9Å
194R74.6Confident73.8Confident172 Ų17298.7 Ų98.765%0.64953%0.526SS*.Hα-helixtrans-62.6-41.7177-173.2177.6176.8-145.7-0.7112.3Y190 L191 T196 Y197 A198Y190-R194 PolarHBondContact O-N 2.72Å; L191-R194 PolarHBondContact O-N 2.67Å; R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.01Å; R194-Y197 PolarHBondContact O-N 3.47Å; R194-A198 PolarHBondContact O-N 3.36Å
195S71.1Confident75.5Confident54 Ų5499 Ų9938%0.37854%0.537SS..Hα-helixtrans-63.7-39.4176.9-166.70000111.9L191 N192 T193 A198 K199L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 VanDerWaalsContact O-N 3.12Å; N192-S195 PolarHBondContact O-N 3.11Å; T193-S195 PolarHBondContact O-N 3.48Å; S195-A198 PolarHBondContact O-N 3.15Å; S195-K199 WeakPolarHBondContact O-CG 2.84Å; S195-K199 PolarHBondContact O-N 3.04Å; S195-K199 VanDerWaalsContact O-N 3.11Å
196T73.7Confident77Confident77 Ų7798.8 Ų98.847%0.47254%0.54SS..Hα-helixtrans-65.3-43.3176.6-52.80000111.9N192 T193 R194 K199 L200N192-T196 PolarHBondContact O-N 2.87Å; N192-T196 VanDerWaalsContact O-N 3.16Å; N192-T196 PolarHBondContact O-OG1 3.48Å; T193-T196 PolarHBondContact O-N 3.35Å; R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.01Å; T196-K199 PolarHBondContact O-N 3.39Å; T196-L200 PolarHBondContact O-N 3.49Å; T196-L200 VanDerWaalsContact O-N 3.09Å
197Y83.5Confident78.6Confident183 Ų183101.8 Ų101.872%0.71855%0.545SS*.Hα-helixtrans-64.3-41.5177.5-167.6-93.3000112.3T193 R194 K199 L200 A201T193-Y197 PolarHBondContact O-N 2.9Å; R194-Y197 PolarHBondContact O-N 3.47Å; Y197-K199 PolarHBondContact O-N 3.01Å; Y197-L200 PolarHBondContact O-N 3.25Å; Y197-A201 PolarHBondContact O-N 3.13Å
198A77.5Confident80.2Confident60 Ų60104 Ų10450%0.49656%0.556SS.*Hα-helixtrans-62.3-41.2176.500000112.5R194 S195 L200 A202R194-A198 PolarHBondContact O-N 3.36Å; S195-A198 PolarHBondContact O-N 3.15Å; A198-L200 VanDerWaalsContact C-N 3.33Å; A198-L200 PolarHBondContact O-N 3.09Å; A198-A202 PolarHBondContact O-N 3.3Å; A198-A202 VanDerWaalsContact O-N 3.13Å
199K81.8Confident81.5Confident152 Ų152107.9 Ų107.966%0.66157%0.565SS**Hα-helixtrans-63-39.6175.2-72.2172.5-176.61780112S195 T196 Y197 G203S195-K199 WeakPolarHBondContact O-CG 2.84Å; S195-K199 PolarHBondContact O-N 3.04Å; S195-K199 VanDerWaalsContact O-N 3.11Å; T196-K199 PolarHBondContact O-N 3.39Å; Y197-K199 PolarHBondContact O-N 3.01Å; K199-G203 PolarHBondContact O-N 2.98Å; K199-G203 VanDerWaalsContact O-N 3.15Å
200L86.6Confident82.9Confident133 Ų133104.3 Ų104.370%0.69655%0.552SS**Hα-helixtrans-70.3-40.7-179-151.9148.1000111.7T196 Y197 A198 G203 G204T196-L200 PolarHBondContact O-N 3.49Å; T196-L200 VanDerWaalsContact O-N 3.09Å; Y197-L200 PolarHBondContact O-N 3.25Å; A198-L200 VanDerWaalsContact C-N 3.33Å; A198-L200 PolarHBondContact O-N 3.09Å; L200-G203 PolarHBondContact O-N 3.15Å; L200-G204 PolarHBondContact O-N 3.2Å
201A88.9Confident84Confident52 Ų52101.2 Ų101.243%0.4355%0.545SS..Hα-helixtrans-62-43.5174.300000112.4Y197 G203 G204 V205Y197-A201 PolarHBondContact O-N 3.13Å; A201-G203 VanDerWaalsContact C-N 3.35Å; A201-G203 PolarHBondContact O-N 3.5Å; A201-G204 PolarHBondContact O-N 3.02Å; A201-V205 PolarHBondContact O-N 3.46Å; A201-V205 VanDerWaalsContact O-N 3.08Å
202A88Confident85.2Confident66 Ų66100.4 Ų100.455%0.54555%0.545SS..Hα-helixtrans-62-40.9176.500000112.4A198 G204 V205 F206A198-A202 PolarHBondContact O-N 3.3Å; A198-A202 VanDerWaalsContact O-N 3.13Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.41Å; A202-V205 PolarHBondContact O-N 3.34Å; A202-F206 PolarHBondContact O-N 3.08Å; A202-F206 VanDerWaalsContact O-N 3.15Å
203G89.9Confident86.2Confident42 Ų42101.5 Ų101.543%0.43354%0.542SS..Hα-helixtrans-62.1-40.1173.500000112.9K199 L200 A201 F206 F207K199-G203 PolarHBondContact O-N 2.98Å; K199-G203 VanDerWaalsContact O-N 3.15Å; L200-G203 PolarHBondContact O-N 3.15Å; A201-G203 VanDerWaalsContact C-N 3.35Å; A201-G203 PolarHBondContact O-N 3.5Å; G203-F206 PolarHBondContact O-N 3.01Å; G203-F207 PolarHBondContact O-N 3.4Å
204G92.1Very high87.3Confident33 Ų33101.3 Ų101.334%0.3454%0.536SS..Hα-helixtrans-61.8-44.3175.900000113.2L200 A201 A202 F206 F207 I208L200-G204 PolarHBondContact O-N 3.2Å; A201-G204 PolarHBondContact O-N 3.02Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.41Å; G204-F206 PolarHBondContact O-N 3.33Å; G204-F207 PolarHBondContact O-N 2.96Å; G204-I208 WeakPolarHBondContact O-CG1 3.39Å; G204-I208 PolarHBondContact O-N 2.93Å
205V92.1Very high87.9Confident99 Ų99101.9 Ų101.960%0.654%0.539SS*.Hα-helixtrans-63.4-42.8177.4175.40000111.2A201 A202 F207 I208 M209A201-V205 PolarHBondContact O-N 3.46Å; A201-V205 VanDerWaalsContact O-N 3.08Å; A202-V205 PolarHBondContact O-N 3.34Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.34Å; V205-I208 PolarHBondContact O-N 3.45Å; V205-M209 PolarHBondContact O-N 3.28Å
206F92.2Very high88.8Confident146 Ų146107.4 Ų107.464%0.6456%0.556SS**Hα-helixtrans-60.5-43.2176-175.5-98000111.8A202 G203 G204 M209 L210A202-F206 PolarHBondContact O-N 3.08Å; A202-F206 VanDerWaalsContact O-N 3.15Å; G203-F206 PolarHBondContact O-N 3.01Å; G204-F206 PolarHBondContact O-N 3.33Å; F206-M209 PolarHBondContact O-N 2.95Å; F206-L210 HydrophobicContact CE1-CD1 4.01Å; F206-L210 WeakPolarHBondContact O-CB 3.34Å; F206-L210 PolarHBondContact O-N 3.5Å
207F93.9Very high89.3Confident132 Ų132112.7 Ų112.758%0.57957%0.568SS**Hα-helixtrans-63.9-41.8178.5-160.8-101000112.3G203 G204 V205 L210 I211G203-F207 PolarHBondContact O-N 3.4Å; G204-F207 PolarHBondContact O-N 2.96Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.34Å; F207-L210 PolarHBondContact O-N 3.33Å; F207-I211 HydrophobicContact CD1-CD1 3.72Å; F207-I211 HydrophobicContact CD1-CG1 4.42Å; F207-I211 HydrophobicContact CE1-CD1 3.66Å; F207-I211 HydrophobicContact CE1-CG1 4.37Å; F207-I211 WeakPolarHBondContact O-CG1 3.36Å; F207-I211 PolarHBondContact O-N 3.48Å
208I93.2Very high88.8Confident110 Ų110114.8 Ų114.856%0.56457%0.574SS**Hα-helixtrans-63.9-44.7175.6-67.7168.6000110.8G204 V205 L210 I211 V212G204-I208 WeakPolarHBondContact O-CG1 3.39Å; G204-I208 PolarHBondContact O-N 2.93Å; V205-I208 PolarHBondContact O-N 3.45Å; I208-L210 VanDerWaalsContact C-N 3.29Å; I208-L210 PolarHBondContact O-N 2.97Å; I208-I211 PolarHBondContact O-N 3.35Å; I208-V212 WeakPolarHBondContact O-CG2 3.42Å; I208-V212 PolarHBondContact O-N 3.05Å
209M91.1Very high87.9Confident145 Ų145120.8 Ų120.871%0.71460%0.597SS**Hα-helixtrans-59.4-41.5176.2-115.8-157.9-17900111.9V205 F206 V212 Y213V205-M209 PolarHBondContact O-N 3.28Å; F206-M209 PolarHBondContact O-N 2.95Å; M209-V212 PolarHBondContact O-N 3.33Å; M209-Y213 WeakPolarHBondContact O-CB 3.41Å; M209-Y213 PolarHBondContact O-N 3.4Å
210L92.4Very high88.2Confident71 Ų71119.2 Ų119.237%0.37259%0.594SS.*Hα-helixtrans-64-42.1178.4-168.6155.3000111.4F206 F207 I208 Y213 I214F206-L210 HydrophobicContact CE1-CD1 4.01Å; F206-L210 WeakPolarHBondContact O-CB 3.34Å; F206-L210 PolarHBondContact O-N 3.5Å; F207-L210 PolarHBondContact O-N 3.33Å; I208-L210 VanDerWaalsContact C-N 3.29Å; I208-L210 PolarHBondContact O-N 2.97Å; L210-Y213 PolarHBondContact O-N 3.27Å; L210-I214 HydrophobicContact CD2-CD1 3.41Å; L210-I214 VanDerWaalsContact CD2-CD1 3.41Å; L210-I214 HydrophobicContact CD2-CG1 4.15Å; L210-I214 HydrophobicContact CG-CD1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.37Å; L210-I214 PolarHBondContact O-N 3Å
211I92.8Very high88.3Confident90 Ų90118.5 Ų118.546%0.46259%0.588SS.*Hα-helixtrans-61.2-45.9174.9-69.8169.3000111.1F207 I208 Y213 I214 R215F207-I211 HydrophobicContact CD1-CD1 3.72Å; F207-I211 HydrophobicContact CD1-CG1 4.42Å; F207-I211 HydrophobicContact CE1-CD1 3.66Å; F207-I211 HydrophobicContact CE1-CG1 4.37Å; F207-I211 WeakPolarHBondContact O-CG1 3.36Å; F207-I211 PolarHBondContact O-N 3.48Å; I208-I211 PolarHBondContact O-N 3.35Å; I211-Y213 VanDerWaalsContact C-N 3.33Å; I211-Y213 PolarHBondContact O-N 3.02Å; I211-I214 PolarHBondContact O-N 2.93Å; I211-R215 WeakPolarHBondContact O-CB 3.37Å; I211-R215 PolarHBondContact O-N 3.43Å
212V92.8Very high88.2Confident93 Ų93122.2 Ų122.256%0.56460%0.597SS**Hα-helixtrans-62.4-42.5178.8173.30000110.8I208 M209 R215 F216I208-V212 WeakPolarHBondContact O-CG2 3.42Å; I208-V212 PolarHBondContact O-N 3.05Å; M209-V212 PolarHBondContact O-N 3.33Å; V212-R215 PolarHBondContact O-N 3.41Å; V212-F216 WeakPolarHBondContact O-CB 3.35Å; V212-F216 PolarHBondContact O-N 2.98Å
213Y92.4Very high88.2Confident134 Ų134125.5 Ų125.553%0.52560%0.6SS.*Hα-helixtrans-62.3-48.8178.2-178.1-106.4000112.6M209 L210 I211 R215 F216 W217M209-Y213 WeakPolarHBondContact O-CB 3.41Å; M209-Y213 PolarHBondContact O-N 3.4Å; L210-Y213 PolarHBondContact O-N 3.27Å; I211-Y213 VanDerWaalsContact C-N 3.33Å; I211-Y213 PolarHBondContact O-N 3.02Å; Y213-R215 VanDerWaalsContact C-N 3.3Å; Y213-R215 PolarHBondContact O-N 3.35Å; Y213-F216 PolarHBondContact O-N 3.47Å; Y213-W217 HydrophobicContact CD1-CE3 4.36Å; Y213-W217 AromaticContact CE1-CE3 3.39Å; Y213-W217 HydrophobicContact CE1-CE3 3.39Å; Y213-W217 AromaticContact CE1-CZ3 3.63Å; Y213-W217 HydrophobicContact CE1-CZ3 3.63Å; Y213-W217 HydrophobicContact CE2-CE3 4.27Å; Y213-W217 AromaticContact CZ-CE3 3.35Å; Y213-W217 AromaticContact CZ-CZ3 3.48Å; Y213-W217 VanDerWaalsContact CZ-CZ3 3.48Å; Y213-W217 PolarHBondContact O-N 3.24Å; Y213-W217 WeakPolarHBondContact OH-CZ3 3.39Å
214I91.8Very high88.1Confident83 Ų83130.7 Ų130.743%0.42661%0.611SS.*Hα-helixtrans-60.5-43.2176.9-69.3179.4000110.4L210 I211 F216 W217 W218L210-I214 HydrophobicContact CD2-CD1 3.41Å; L210-I214 VanDerWaalsContact CD2-CD1 3.41Å; L210-I214 HydrophobicContact CD2-CG1 4.15Å; L210-I214 HydrophobicContact CG-CD1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.37Å; L210-I214 PolarHBondContact O-N 3Å; I211-I214 PolarHBondContact O-N 2.93Å; I214-F216 VanDerWaalsContact C-N 3.31Å; I214-F216 PolarHBondContact O-N 3.02Å; I214-W217 PolarHBondContact O-N 3.09Å; I214-W218 HydrophobicContact CG2-CE3 4.05Å; I214-W218 WeakPolarHBondContact O-CB 3.39Å; I214-W218 PolarHBondContact O-N 3.39Å; I214-W218 VanDerWaalsContact O-N 3.09Å
215R88.5Confident87.9Confident184 Ų184137.2 Ų137.269%0.69463%0.629SS**Hα-helixtrans-65.6-35.3-180-159.4-161.2174.8116.93.7112.4I211 V212 Y213 L219I211-R215 WeakPolarHBondContact O-CB 3.37Å; I211-R215 PolarHBondContact O-N 3.43Å; V212-R215 PolarHBondContact O-N 3.41Å; Y213-R215 VanDerWaalsContact C-N 3.3Å; Y213-R215 PolarHBondContact O-N 3.35Å; R215-L219 HydrophobicContact CG-CD1 4.23Å
216F88.8Confident87.6Confident171 Ų171139.9 Ų139.975%0.7563%0.631SS**Hα-helixtrans-76.5-28.8179.3-171.2-95.4000113.1V212 Y213 I214V212-F216 WeakPolarHBondContact O-CB 3.35Å; V212-F216 PolarHBondContact O-N 2.98Å; Y213-F216 PolarHBondContact O-N 3.47Å; I214-F216 VanDerWaalsContact C-N 3.31Å; I214-F216 PolarHBondContact O-N 3.02Å
217W84.7Confident87.2Confident188 Ų188139.5 Ų139.571%0.71263%0.63SS**Hα-helixtrans-89.2-20.9-179.5-156.1-4.8000113.5Y213 I214Y213-W217 HydrophobicContact CD1-CE3 4.36Å; Y213-W217 AromaticContact CE1-CE3 3.39Å; Y213-W217 HydrophobicContact CE1-CE3 3.39Å; Y213-W217 AromaticContact CE1-CZ3 3.63Å; Y213-W217 HydrophobicContact CE1-CZ3 3.63Å; Y213-W217 HydrophobicContact CE2-CE3 4.27Å; Y213-W217 AromaticContact CZ-CE3 3.35Å; Y213-W217 AromaticContact CZ-CZ3 3.48Å; Y213-W217 VanDerWaalsContact CZ-CZ3 3.48Å; Y213-W217 PolarHBondContact O-N 3.24Å; Y213-W217 WeakPolarHBondContact OH-CZ3 3.39Å; I214-W217 PolarHBondContact O-N 3.09Å
218W72.3Confident86.7Confident227 Ų227140.1 Ų140.186%0.8663%0.634SS**  trans-98.1-3.4179.7-144.1-28.5000113.9I214I214-W218 HydrophobicContact CG2-CE3 4.05Å; I214-W218 WeakPolarHBondContact O-CB 3.39Å; I214-W218 PolarHBondContact O-N 3.39Å; I214-W218 VanDerWaalsContact O-N 3.09Å
219L59.2Low86.1Confident185 Ų185142.8 Ų142.897%0.96964%0.641SS**  trans-102.90167.1-104.6113.8000109.9R215R215-L219 HydrophobicContact CG-CD1 4.23Å

Retrieved 219 of 219 residues in 107.8 ms (Link to these results)

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