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3-hexulose-6-phosphate synthase

Catalyzes the condensation of ribulose 5-phosphate with formaldehyde to form 3-hexulose 6-phosphate.

AlphaFold DB (Q2G0K7), UniProt , Accession Q99W39, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 210 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
1M96.4Very high97.3Very high71 Ų7134.8 Ų34.835%0.3518%0.181SC..  01240179.6-174.6-56.600106.9V177 P181 D182 V184 I207 K210M1-V177 HydrophobicContact CE-CB 4.43Å; M1-V177 HydrophobicContact CE-CG1 4.09Å; M1-V177 HydrophobicContact CE-CG2 4.46Å; M1-V177 HydrophobicContact SD-CB 4.48Å; M1-V177 HydrophobicContact SD-CG1 4.38Å; M1-V177 HydrophobicContact SD-CG2 3.88Å; M1-P181 HydrophobicContact CE-CG 3.95Å; M1-P181 VanDerWaalsContact CE-O 3.27Å; M1-P181 WeakPolarHBondContact CE-O 3.41Å; M1-P181 WeakPolarHBondContact CG-O 3.47Å; M1-P181 HydrophobicContact SD-CG 4.21Å; M1-D182 CarbonylContact C-O 3.59Å; M1-D182 WeakPolarHBondContact CA-O 3.26Å; M1-V184 HydrophobicContact CG-CG2 4.1Å; M1-V184 HydrophobicContact SD-CG2 3.58Å; M1-V184 VanDerWaalsContact SD-CG2 3.58Å; M1-I207 HydrophobicContact CB-CG2 3.87Å; M1-I207 HydrophobicContact CG-CG2 3.96Å; M1-I207 HydrophobicContact SD-CB 4.34Å; M1-I207 HydrophobicContact SD-CD1 4.3Å; M1-I207 HydrophobicContact SD-CG1 3.77Å; M1-I207 HydrophobicContact SD-CG2 3.94Å; M1-K210 HydrophobicContact CE-CD 4.5Å
2E98.2Very high97.4Very high36 Ų3636.3 Ų36.317%0.16819%0.185CC..EExtended strand (participates in β ladder)trans-89.9150.5179.1-66.8174.2112.600109.3D27 K55 Y130 K161 D182 L183 V184E2-D27 WeakPolarHBondContact CA-OD2 2.96Å; E2-D27 HydrophobicContact CB-CB 4.03Å; E2-D27 HydrophobicContact CG-CB 4.24Å; E2-K55 IonicContact OE1-NZ 3.53Å; E2-K55 PolarHBondContact OE1-NZ 3.36Å; E2-Y130 PolarHBondContact OE2-OH 2.92Å; E2-K161 IonicContact OE2-NZ 3.51Å; E2-K161 PolarHBondContact OE2-NZ 3.19Å; E2-K161 VanDerWaalsContact OE2-NZ 3.08Å; E2-D182 PolarHBondContact N-O 3.47Å; E2-L183 HydrophobicContact CB-CD1 3.52Å; E2-L183 WeakPolarHBondContact O-CA 3.41Å; E2-V184 PolarHBondContact O-N 2.93Å
3L98.6Very high97.5Very high0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-110.9131.5170.4-177.562.3000109.6Y25 V26 D27 I28 I173 V184 V186 C203 I207L3-Y25 WeakPolarHBondContact CD2-O 3.32Å; L3-V26 HydrophobicContact CD2-CG1 4.01Å; L3-V26 HydrophobicContact CG-CG1 4.15Å; L3-D27 PolarHBondContact N-OD2 3.49Å; L3-D27 PolarHBondContact O-N 3.12Å; L3-I28 PolarHBondContact O-N 2.95Å; L3-I173 HydrophobicContact CD1-CD1 4.47Å; L3-V184 HydrophobicContact CD1-CB 4.47Å; L3-V186 HydrophobicContact CD1-CG2 3.83Å; L3-C203 HydrophobicContact CD1-CB 4.19Å; L3-C203 HydrophobicContact CD2-CB 3.73Å; L3-I207 HydrophobicContact CB-CD1 3.71Å; L3-I207 HydrophobicContact CD1-CD1 3.76Å; L3-I207 HydrophobicContact CD2-CD1 4.43Å; L3-I207 HydrophobicContact CG-CD1 4.15Å
4Q98.8Very high97.5Very high1 Ų142.7 Ų42.71%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-116.7134.3174.9175.4171.1-47.700111.1I28 E30 L183 V184 I185 V186Q4-I28 VanDerWaalsContact CA-O 3.28Å; Q4-I28 WeakPolarHBondContact CA-O 3.37Å; Q4-I28 HydrophobicContact CB-CB 3.94Å; Q4-I28 HydrophobicContact CG-CB 3.89Å; Q4-I28 HydrophobicContact CG-CG2 3.97Å; Q4-E30 HydrophobicContact CG-CB 4.33Å; Q4-E30 PolarHBondContact NE2-OE2 3.01Å; Q4-L183 HydrophobicContact CB-CD1 3.9Å; Q4-V184 PolarHBondContact N-O 3.36Å; Q4-I185 HydrophobicContact CB-CB 4.46Å; Q4-I185 HydrophobicContact CB-CG1 4.09Å; Q4-I185 HydrophobicContact CB-CG2 4.5Å; Q4-I185 HydrophobicContact CG-CG1 4.29Å; Q4-I185 HydrophobicContact CG-CG2 4.18Å; Q4-V186 PolarHBondContact O-N 2.92Å
5L98.7Very high97.6Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-93.4121.3166.7169.663000109.4I7 L18 V22 V26 I28 E30 V186 I190 A191L5-I7 HydrophobicContact CD1-CG1 4.31Å; L5-I7 HydrophobicContact CD2-CD1 3.78Å; L5-I7 HydrophobicContact CD2-CG1 3.81Å; L5-I7 HydrophobicContact CG-CD1 4.21Å; L5-I7 HydrophobicContact CG-CG1 3.71Å; L5-L18 HydrophobicContact CD2-CD2 4.24Å; L5-L18 HydrophobicContact CD2-CG 4.12Å; L5-V22 HydrophobicContact CD2-CG2 3.56Å; L5-V26 HydrophobicContact CB-CG1 4.16Å; L5-I28 PolarHBondContact N-O 3.45Å; L5-E30 WeakPolarHBondContact O-CB 3.33Å; L5-E30 PolarHBondContact O-N 3.23Å; L5-V186 WeakPolarHBondContact CA-O 3.41Å; L5-I190 HydrophobicContact CD1-CB 3.83Å; L5-I190 HydrophobicContact CD1-CG2 3.73Å; L5-A191 HydrophobicContact CD1-CB 4.24Å
6A98.5Very high97.7Very high6 Ų637.7 Ų37.75%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-95.3128.7167.900000111.2E30 I185 V186 G187A6-E30 HydrophobicContact CB-CB 4.36Å; A6-E30 HydrophobicContact CB-CG 4.18Å; A6-E30 WeakPolarHBondContact CB-OE2 3.13Å; A6-I185 HydrophobicContact CB-CG2 3.99Å; A6-V186 PolarHBondContact N-O 3.25Å; A6-G187 VanDerWaalsContact O-CA 3.31Å; A6-G187 WeakPolarHBondContact O-CA 3.24Å
7I98.4Very high97.7Very high0 Ų041.5 Ų41.50%021%0.209CC..EExtended strand (participates in β ladder)trans-120.2109.3-178.6-46.3177.3000109.2L5 L10 A15 L18 A19 E30 G32 I35 M47L5-I7 HydrophobicContact CD1-CG1 4.31Å; L5-I7 HydrophobicContact CD2-CD1 3.78Å; L5-I7 HydrophobicContact CD2-CG1 3.81Å; L5-I7 HydrophobicContact CG-CD1 4.21Å; L5-I7 HydrophobicContact CG-CG1 3.71Å; I7-L10 HydrophobicContact CG2-CB 4.14Å; I7-L10 HydrophobicContact CG2-CD1 3.75Å; I7-L10 HydrophobicContact CG2-CG 4.12Å; I7-A15 HydrophobicContact CB-CB 4.49Å; I7-A15 HydrophobicContact CD1-CB 4.2Å; I7-A15 WeakPolarHBondContact CD1-O 3.35Å; I7-A15 HydrophobicContact CG2-CB 3.82Å; I7-L18 HydrophobicContact CD1-CD2 4.16Å; I7-L18 HydrophobicContact CD1-CG 4.45Å; I7-L18 HydrophobicContact CG1-CD2 4.27Å; I7-L18 HydrophobicContact CG2-CD2 4.29Å; I7-A19 HydrophobicContact CD1-CB 4.32Å; I7-E30 PolarHBondContact N-O 3.5Å; I7-E30 VanDerWaalsContact N-O 3.08Å; I7-G32 WeakPolarHBondContact O-CA 3.32Å; I7-G32 PolarHBondContact O-N 3.32Å; I7-I35 HydrophobicContact CB-CD1 4.37Å; I7-I35 HydrophobicContact CG2-CD1 4.01Å; I7-I35 WeakPolarHBondContact O-CD1 3.47Å; I7-M47 HydrophobicContact CD1-CE 4.13Å
8D96.2Very high97.7Very high23 Ų2339.9 Ų39.912%0.12320%0.201CC..  trans-107.7-44.5-173.1-73.5-57.5000114.5G32 P34 I35 Y137D8-G32 WeakPolarHBondContact OD1-CA 3.28Å; D8-P34 HydrophobicContact CB-CG 4.15Å; D8-P34 WeakPolarHBondContact O-CB 3.47Å; D8-P34 VanDerWaalsContact OD1-CD 3.25Å; D8-P34 WeakPolarHBondContact OD1-CD 3.43Å; D8-I35 VanDerWaalsContact O-CG1 3.24Å; D8-I35 WeakPolarHBondContact O-CG1 3.33Å; D8-Y137 PolarHBondContact OD2-OH 3.45Å
9L93.3Very high97.8Very high128 Ų12837.8 Ų37.867%0.6719%0.19SC*.SBendtrans-110.936-162.9-57.5-179.7000113.3
10L95.9Very high97.8Very high58 Ų5838.8 Ų38.830%0.30420%0.196SC..SBendtrans-123.3164.9176.3-65.2-178.3000110.4I7 D14 A15 L18 I35I7-L10 HydrophobicContact CG2-CB 4.14Å; I7-L10 HydrophobicContact CG2-CD1 3.75Å; I7-L10 HydrophobicContact CG2-CG 4.12Å; L10-D14 HydrophobicContact CB-CB 4.11Å; L10-D14 HydrophobicContact CD1-CB 4.25Å; L10-D14 HydrophobicContact CD2-CB 4.28Å; L10-D14 HydrophobicContact CG-CB 4.45Å; L10-A15 HydrophobicContact CB-CB 4.33Å; L10-L18 HydrophobicContact CD1-CB 4.36Å; L10-L18 HydrophobicContact CD1-CD2 3.88Å; L10-I35 WeakPolarHBondContact O-CD1 3.42Å; L10-I35 WeakPolarHBondContact O-CG1 3.29Å
11N97.7Very high97.8Very high60 Ų6042.2 Ų42.232%0.32121%0.21SC..  trans-78.5169.5162.462.652000110.2E13 D14 A15 E39N11-E13 VanDerWaalsContact C-N 3.3Å; N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 PolarHBondContact OD1-N 3.27Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-E13 PolarHBondContact OD1-OE2 2.89Å; N11-D14 PolarHBondContact ND2-OD2 3.04Å; N11-D14 PolarHBondContact O-N 3.27Å; N11-D14 WeakPolarHBondContact OD1-CB 3.29Å; N11-D14 VanDerWaalsContact OD1-CG 3.28Å; N11-D14 PolarHBondContact OD1-N 2.69Å; N11-D14 PolarHBondContact OD1-OD2 2.91Å; N11-A15 VanDerWaalsContact O-CB 3.24Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 3.42Å; N11-E39 WeakPolarHBondContact CA-OE1 3.19Å; N11-E39 VanDerWaalsContact CB-OE1 3.23Å; N11-E39 WeakPolarHBondContact CB-OE1 3.42Å
12K97.9Very high97.9Very high52 Ų5238.8 Ų38.823%0.22619%0.193CC..Hα-helixtrans-62.5-34.5-176.671.6177.9168.2-77.20113.4A16 E39 A43 H46K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.99Å; K12-E39 WeakPolarHBondContact CB-OE2 3.35Å; K12-E39 WeakPolarHBondContact CD-OE2 3.23Å; K12-E39 WeakPolarHBondContact CG-OE2 3.28Å; K12-E39 PolarHBondContact N-OE1 3.06Å; K12-E39 IonicContact NZ-OE2 2.67Å; K12-E39 PolarHBondContact NZ-OE2 3.12Å; K12-A43 HydrophobicContact CB-CB 3.82Å; K12-H46 HydrophobicContact CB-CB 4.46Å; K12-H46 HydrophobicContact CD-CB 3.76Å; K12-H46 HydrophobicContact CG-CB 4.37Å; K12-H46 PolarHBondContact O-CD2 3.11Å
13E98.5Very high97.9Very high91 Ų9139.7 Ų39.743%0.42520%0.196SC..Hα-helixtrans-68.6-50.4179.4-68.379.4-169.600111N11 A15 A16 E17N11-E13 VanDerWaalsContact C-N 3.3Å; N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 PolarHBondContact OD1-N 3.27Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-E13 PolarHBondContact OD1-OE2 2.89Å; E13-A15 VanDerWaalsContact C-N 3.31Å; E13-A15 PolarHBondContact O-N 2.99Å; E13-A16 PolarHBondContact O-N 3.39Å; E13-E17 PolarHBondContact O-N 2.69Å
14D98.4Very high97.9Very high72 Ų7246 Ų4639%0.38523%0.23SC..Hα-helixtrans-64.9-36.5178.2-67.5-23.7000111L10 N11 E17 L18L10-D14 HydrophobicContact CB-CB 4.11Å; L10-D14 HydrophobicContact CD1-CB 4.25Å; L10-D14 HydrophobicContact CD2-CB 4.28Å; L10-D14 HydrophobicContact CG-CB 4.45Å; N11-D14 PolarHBondContact ND2-OD2 3.04Å; N11-D14 PolarHBondContact O-N 3.27Å; N11-D14 WeakPolarHBondContact OD1-CB 3.29Å; N11-D14 VanDerWaalsContact OD1-CG 3.28Å; N11-D14 PolarHBondContact OD1-N 2.69Å; N11-D14 PolarHBondContact OD1-OD2 2.91Å; D14-E17 PolarHBondContact O-N 2.77Å; D14-L18 WeakPolarHBondContact O-CB 3.24Å; D14-L18 PolarHBondContact O-N 3.44Å
15A98.6Very high97.9Very high0 Ų048.9 Ų48.90%024%0.241CC..Hα-helixtrans-61.6-46.6173.400000111.6I7 L10 N11 E13 L18 A19 I31 I35 M47I7-A15 HydrophobicContact CB-CB 4.49Å; I7-A15 HydrophobicContact CD1-CB 4.2Å; I7-A15 WeakPolarHBondContact CD1-O 3.35Å; I7-A15 HydrophobicContact CG2-CB 3.82Å; L10-A15 HydrophobicContact CB-CB 4.33Å; N11-A15 VanDerWaalsContact O-CB 3.24Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 3.42Å; E13-A15 VanDerWaalsContact C-N 3.31Å; E13-A15 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 3.35Å; A15-A19 WeakPolarHBondContact O-CB 3.32Å; A15-A19 PolarHBondContact O-N 3.46Å; A15-I31 HydrophobicContact CB-CD1 4.28Å; A15-I35 HydrophobicContact CB-CD1 4Å; A15-M47 HydrophobicContact CB-CE 4.09Å; A15-M47 WeakPolarHBondContact O-CE 3.44Å
16A98.5Very high97.9Very high5 Ų549.1 Ų49.14%0.04124%0.243CC..Hα-helixtrans-66.8-35.8177.600000112.5K12 E13 N20 M47 N50K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.99Å; E13-A16 PolarHBondContact O-N 3.39Å; A16-N20 WeakPolarHBondContact O-CB 3.18Å; A16-N20 PolarHBondContact O-N 2.91Å; A16-N20 PolarHBondContact O-ND2 3.28Å; A16-M47 HydrophobicContact CB-CE 4.35Å; A16-M47 HydrophobicContact CB-SD 4.42Å; A16-N50 HydrophobicContact CB-CB 4.26Å
17E98.4Very high97.9Very high103 Ų10351.4 Ų51.448%0.48125%0.254SS..Hα-helixtrans-63.3-48.5173.2-170.8-174.4150.200111E13 D14 N20 K21E13-E17 PolarHBondContact O-N 2.69Å; D14-E17 PolarHBondContact O-N 2.77Å; E17-N20 PolarHBondContact O-N 3.42Å; E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.13Å; E17-K21 VanDerWaalsContact O-N 3.14Å; E17-K21 WeakPolarHBondContact OE1-CE 3.38Å; E17-K21 IonicContact OE1-NZ 3.53Å; E17-K21 PolarHBondContact OE1-NZ 3.46Å
18L98.6Very high97.9Very high12 Ų1251.4 Ų51.46%0.06325%0.254CS..Hα-helixtrans-59-48.9176.3172.961.2000111.3L5 I7 L10 D14 A15 N20 K21 V22 A191 P196L5-L18 HydrophobicContact CD2-CD2 4.24Å; L5-L18 HydrophobicContact CD2-CG 4.12Å; I7-L18 HydrophobicContact CD1-CD2 4.16Å; I7-L18 HydrophobicContact CD1-CG 4.45Å; I7-L18 HydrophobicContact CG1-CD2 4.27Å; I7-L18 HydrophobicContact CG2-CD2 4.29Å; L10-L18 HydrophobicContact CD1-CB 4.36Å; L10-L18 HydrophobicContact CD1-CD2 3.88Å; D14-L18 WeakPolarHBondContact O-CB 3.24Å; D14-L18 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 3.35Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.97Å; L18-K21 WeakPolarHBondContact O-CB 3.27Å; L18-K21 PolarHBondContact O-N 3Å; L18-V22 HydrophobicContact CD1-CG1 4.36Å; L18-V22 PolarHBondContact O-N 3.26Å; L18-A191 HydrophobicContact CD2-CB 3.81Å; L18-P196 HydrophobicContact CD1-CB 3.49Å; L18-P196 VanDerWaalsContact CD1-CB 3.49Å; L18-P196 HydrophobicContact CD1-CG 3.88Å
19A98.7Very high98Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-56.1-43.5177.900000111.5I7 A15 K21 V22 K23 V29 M47 I51I7-A19 HydrophobicContact CD1-CB 4.32Å; A15-A19 WeakPolarHBondContact O-CB 3.32Å; A15-A19 PolarHBondContact O-N 3.46Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.22Å; A19-V22 PolarHBondContact O-N 3.35Å; A19-K23 WeakPolarHBondContact O-CB 3.05Å; A19-K23 PolarHBondContact O-N 3.04Å; A19-V29 HydrophobicContact CB-CB 4.41Å; A19-V29 HydrophobicContact CB-CG1 4.04Å; A19-M47 HydrophobicContact CB-CE 3.67Å; A19-M47 HydrophobicContact CB-SD 3.6Å; A19-I51 HydrophobicContact CB-CD1 3.79Å; A19-I51 HydrophobicContact CB-CG1 4.48Å
20N98.5Very high98.3Very high58 Ų5844.9 Ų44.931%0.3122%0.219SC..Hα-helixtrans-65.1-31177.8-90.3-74.8000114A16 E17 L18 V22 K23 N50 I51A16-N20 WeakPolarHBondContact O-CB 3.18Å; A16-N20 PolarHBondContact O-N 2.91Å; A16-N20 PolarHBondContact O-ND2 3.28Å; E17-N20 PolarHBondContact O-N 3.42Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.97Å; N20-V22 VanDerWaalsContact C-N 3.31Å; N20-K23 PolarHBondContact OD1-NZ 2.88Å; N20-N50 PolarHBondContact ND2-O 3.42Å; N20-I51 HydrophobicContact CB-CD1 4.42Å
21K98.3Very high98.4Very high110 Ų11042.2 Ų42.248%0.47821%0.205SC..Hα-helixtrans-68.6-29.8175.8-71.3171.1-177.7164.70112.5E17 L18 A19 V197E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.13Å; E17-K21 VanDerWaalsContact O-N 3.14Å; E17-K21 WeakPolarHBondContact OE1-CE 3.38Å; E17-K21 IonicContact OE1-NZ 3.53Å; E17-K21 PolarHBondContact OE1-NZ 3.46Å; L18-K21 WeakPolarHBondContact O-CB 3.27Å; L18-K21 PolarHBondContact O-N 3Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.22Å; K21-V197 HydrophobicContact CB-CG2 3.9Å
22V98.2Very high98.5Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-113.1-4.7-172.2-51.80000115.1L5 L18 A19 N20 D24 Y25 V26 I190 P196 V197 A200L5-V22 HydrophobicContact CD2-CG2 3.56Å; L18-V22 HydrophobicContact CD1-CG1 4.36Å; L18-V22 PolarHBondContact O-N 3.26Å; A19-V22 PolarHBondContact O-N 3.35Å; N20-V22 VanDerWaalsContact C-N 3.31Å; V22-D24 PolarHBondContact O-N 2.86Å; V22-Y25 PolarHBondContact O-N 3.27Å; V22-V26 HydrophobicContact CG2-CG1 4.29Å; V22-V26 HydrophobicContact CG2-CG2 4.2Å; V22-V26 PolarHBondContact O-N 2.79Å; V22-I190 HydrophobicContact CG1-CG2 4.42Å; V22-P196 HydrophobicContact CG1-CB 4.3Å; V22-V197 HydrophobicContact CG1-CG2 4.47Å; V22-A200 HydrophobicContact CB-CB 3.91Å; V22-A200 HydrophobicContact CG1-CB 4Å
23K98.2Very high98.5Very high54 Ų5437.5 Ų37.524%0.23518%0.183CC..G310 helixtrans-53.8-29.1-172.166.4-177.5176.1-169.60115.4A19 N20 Y25 V26 I51 V54A19-K23 WeakPolarHBondContact O-CB 3.05Å; A19-K23 PolarHBondContact O-N 3.04Å; N20-K23 PolarHBondContact OD1-NZ 2.88Å; K23-Y25 PolarHBondContact O-N 3.43Å; K23-V26 VanDerWaalsContact O-O 3.11Å; K23-I51 HydrophobicContact CB-CD1 4.1Å; K23-I51 HydrophobicContact CD-CD1 4.02Å; K23-V54 HydrophobicContact CB-CG1 3.99Å; K23-V54 WeakPolarHBondContact O-CG1 3.5Å
24D98Very high98.4Very high133 Ų13335.1 Ų35.171%0.71118%0.175SC*.G310 helixtrans-72.2-10178.2-63.3-26.4000112.8V22V22-D24 PolarHBondContact O-N 2.86Å
25Y98.2Very high98.4Very high61 Ų6131.7 Ų31.724%0.23916%0.157CC..G310 helixtrans-114.6-7.7-178-52.1-63.7000113.2L3 V22 K23 V197 A200 K201 R204L3-Y25 WeakPolarHBondContact CD2-O 3.32Å; V22-Y25 PolarHBondContact O-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.43Å; Y25-V197 HydrophobicContact CE2-CG1 3.83Å; Y25-A200 HydrophobicContact CD2-CB 4.26Å; Y25-A200 HydrophobicContact CG-CB 4.41Å; Y25-K201 HydrophobicContact CD1-CG 3.79Å; Y25-K201 HydrophobicContact CD2-CG 4.05Å; Y25-K201 HydrophobicContact CE1-CD 4.37Å; Y25-K201 HydrophobicContact CE1-CG 3.47Å; Y25-K201 VanDerWaalsContact CE1-CG 3.47Å; Y25-K201 HydrophobicContact CE2-CD 4.37Å; Y25-K201 HydrophobicContact CE2-CG 3.74Å; Y25-K201 HydrophobicContact CG-CG 4.08Å; Y25-K201 VanDerWaalsContact CZ-CG 3.45Å; Y25-K201 WeakPolarHBondContact OH-CE 3.23Å; Y25-R204 PolarHBondContact O-NE 2.78Å; Y25-R204 PolarHBondContact O-NH2 3.5Å
26V98.5Very high98.4Very high5 Ų532.5 Ų32.53%0.0316%0.161CC..  trans-123.7148.8-177.3-58.10000110.5L3 L5 V22 K23 V29 V54L3-V26 HydrophobicContact CD2-CG1 4.01Å; L3-V26 HydrophobicContact CG-CG1 4.15Å; L5-V26 HydrophobicContact CB-CG1 4.16Å; V22-V26 HydrophobicContact CG2-CG1 4.29Å; V22-V26 HydrophobicContact CG2-CG2 4.2Å; V22-V26 PolarHBondContact O-N 2.79Å; K23-V26 VanDerWaalsContact O-O 3.11Å; V26-V29 HydrophobicContact CG2-CG1 3.8Å; V26-V54 HydrophobicContact CG2-CG1 4.41Å; V26-V54 VanDerWaalsContact O-CG1 3.27Å; V26-V54 WeakPolarHBondContact O-CG1 3.36Å
27D98.7Very high98.4Very high54 Ų5440.4 Ų40.429%0.28919%0.191SC..SBendtrans-95.7-26.6178.2-56.6-73.8000111.7E2 L3 K55 R204E2-D27 WeakPolarHBondContact CA-OD2 2.96Å; E2-D27 HydrophobicContact CB-CB 4.03Å; E2-D27 HydrophobicContact CG-CB 4.24Å; L3-D27 PolarHBondContact N-OD2 3.49Å; L3-D27 PolarHBondContact O-N 3.12Å; D27-K55 PolarHBondContact O-N 3.16Å; D27-R204 VanDerWaalsContact CG-NH2 3.33Å; D27-R204 IonicContact OD1-NH2 2.64Å; D27-R204 IonicContact OD2-CZ 2.69Å; D27-R204 IonicContact OD2-NH1 3.63Å; D27-R204 PolarHBondContact OD2-NH1 3.16Å; D27-R204 VanDerWaalsContact OD2-NH1 3.12Å; D27-R204 IonicContact OD2-NH2 3.12Å; D27-R204 PolarHBondContact OD2-NH2 3.34Å
28I98.9Very high98.4Very high0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-135.5136.7-178.1-48.5-177.1000109.3L3 Q4 L5 K55 L57 L183L3-I28 PolarHBondContact O-N 2.95Å; Q4-I28 VanDerWaalsContact CA-O 3.28Å; Q4-I28 WeakPolarHBondContact CA-O 3.37Å; Q4-I28 HydrophobicContact CB-CB 3.94Å; Q4-I28 HydrophobicContact CG-CB 3.89Å; Q4-I28 HydrophobicContact CG-CG2 3.97Å; L5-I28 PolarHBondContact N-O 3.45Å; I28-K55 CarbonylContact C-O 3.49Å; I28-K55 WeakPolarHBondContact CA-O 3.35Å; I28-K55 HydrophobicContact CG1-CB 4.18Å; I28-K55 HydrophobicContact CG1-CD 4.39Å; I28-K55 HydrophobicContact CG2-CB 4.31Å; I28-L57 HydrophobicContact CG2-CB 3.7Å; I28-L183 HydrophobicContact CD1-CD1 3.92Å; I28-L183 HydrophobicContact CD1-CD2 4.12Å
29V98.8Very high98.4Very high0 Ų043.6 Ų43.60%021%0.21CC..EExtended strand (participates in β ladder)trans-114.2128.3168.3-63.80000109.1A19 V26 M47 I51 V54 K55 V56 L57A19-V29 HydrophobicContact CB-CB 4.41Å; A19-V29 HydrophobicContact CB-CG1 4.04Å; V26-V29 HydrophobicContact CG2-CG1 3.8Å; V29-M47 HydrophobicContact CG2-CG 4.02Å; V29-M47 HydrophobicContact CG2-SD 3.99Å; V29-I51 HydrophobicContact CG2-CG1 4.35Å; V29-I51 HydrophobicContact CG2-CG2 4.31Å; V29-V54 HydrophobicContact CG1-CG2 4.07Å; V29-V54 HydrophobicContact CG2-CG2 3.88Å; V29-K55 PolarHBondContact N-O 3.06Å; V29-V56 HydrophobicContact CG2-CG2 4.19Å; V29-V56 CarbonylContact O-C 3.47Å; V29-V56 WeakPolarHBondContact O-CA 2.94Å; V29-L57 PolarHBondContact O-N 2.72Å
30E98.8Very high98.4Very high15 Ų1544.8 Ų44.87%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-107.3128.6-176.8158.8179.5172.200110.5Q4 L5 A6 I7 L57 D59Q4-E30 HydrophobicContact CG-CB 4.33Å; Q4-E30 PolarHBondContact NE2-OE2 3.01Å; L5-E30 WeakPolarHBondContact O-CB 3.33Å; L5-E30 PolarHBondContact O-N 3.23Å; A6-E30 HydrophobicContact CB-CB 4.36Å; A6-E30 HydrophobicContact CB-CG 4.18Å; A6-E30 WeakPolarHBondContact CB-OE2 3.13Å; I7-E30 PolarHBondContact N-O 3.5Å; I7-E30 VanDerWaalsContact N-O 3.08Å; E30-L57 WeakPolarHBondContact CA-O 3.34Å; E30-L57 HydrophobicContact CB-CB 4.06Å; E30-L57 HydrophobicContact CB-CD2 3.69Å; E30-L57 HydrophobicContact CB-CG 4.45Å; E30-L57 HydrophobicContact CG-CD2 3.44Å; E30-L57 VanDerWaalsContact CG-CD2 3.44Å; E30-D59 HydrophobicContact CG-CB 3.92Å; E30-D59 WeakPolarHBondContact OE1-CB 3.48Å; E30-D59 VanDerWaalsContact OE1-CG 3.28Å
31I98.8Very high98.4Very high1 Ų143.2 Ų43.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-85.9106.8161-62.1-55.4000107A15 I35 I36 A43 V44 M47 L57 D59A15-I31 HydrophobicContact CB-CD1 4.28Å; I31-I35 HydrophobicContact CG2-CB 3.79Å; I31-I35 HydrophobicContact CG2-CG2 3.8Å; I31-I36 HydrophobicContact CG2-CD1 4.42Å; I31-I36 HydrophobicContact CG2-CG1 3.78Å; I31-I36 WeakPolarHBondContact O-CD1 3.47Å; I31-A43 HydrophobicContact CG2-CB 4.32Å; I31-V44 HydrophobicContact CB-CG2 4.28Å; I31-V44 HydrophobicContact CG2-CG2 4.29Å; I31-M47 HydrophobicContact CD1-CB 3.91Å; I31-M47 HydrophobicContact CD1-CE 3.46Å; I31-M47 VanDerWaalsContact CD1-CE 3.46Å; I31-M47 HydrophobicContact CD1-CG 4.11Å; I31-M47 HydrophobicContact CG1-CB 3.94Å; I31-M47 HydrophobicContact CG1-CG 4.23Å; I31-L57 PolarHBondContact N-O 3.43Å; I31-D59 WeakPolarHBondContact O-CB 3.14Å; I31-D59 PolarHBondContact O-N 3.23Å
32G98.4Very high98.4Very high0 Ų041.2 Ų41.20%021%0.212CC..  trans-66.5158.2-176.600000113.3I7 D8 P34 I35 I36I7-G32 WeakPolarHBondContact O-CA 3.32Å; I7-G32 PolarHBondContact O-N 3.32Å; D8-G32 WeakPolarHBondContact OD1-CA 3.28Å; G32-P34 VanDerWaalsContact C-N 3.32Å; G32-I35 PolarHBondContact O-N 3.14Å; G32-I35 VanDerWaalsContact O-N 3.11Å; G32-I36 PolarHBondContact O-N 3.01Å
33T98.2Very high98.4Very high13 Ų1341.2 Ų41.28%0.0821%0.212CC..Hα-helixtrans-47.4-44.4179.2-540000113.8I35 I36 Y37 D59 K61T33-I35 PolarHBondContact O-N 3.31Å; T33-I36 PolarHBondContact O-N 3.46Å; T33-Y37 HydrophobicContact CG2-CD1 4.22Å; T33-Y37 HydrophobicContact CG2-CD2 3.94Å; T33-Y37 HydrophobicContact CG2-CE1 3.75Å; T33-Y37 HydrophobicContact CG2-CE2 3.44Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.44Å; T33-Y37 HydrophobicContact CG2-CG 4.3Å; T33-Y37 PolarHBondContact O-N 2.84Å; T33-D59 WeakPolarHBondContact CA-O 3.27Å; T33-D59 PolarHBondContact N-OD2 2.84Å; T33-D59 PolarHBondContact OG1-O 2.97Å; T33-D59 PolarHBondContact OG1-OD2 3.15Å; T33-K61 WeakPolarHBondContact OG1-CD 3.44Å; T33-K61 PolarHBondContact OG1-NZ 3.33Å
34P97.8Very high98.5Very high41 Ų4138.7 Ų38.727%0.26620%0.201SC..Hα-helixtrans-65.3-34.5-177.6-19.833.1000113.7D8 G32 Y37 N38D8-P34 HydrophobicContact CB-CG 4.15Å; D8-P34 WeakPolarHBondContact O-CB 3.47Å; D8-P34 VanDerWaalsContact OD1-CD 3.25Å; D8-P34 WeakPolarHBondContact OD1-CD 3.43Å; G32-P34 VanDerWaalsContact C-N 3.32Å; P34-Y37 PolarHBondContact O-N 2.72Å; P34-N38 WeakPolarHBondContact O-CB 3.46Å; P34-N38 VanDerWaalsContact O-CG 3.22Å; P34-N38 PolarHBondContact O-N 3.44Å; P34-N38 PolarHBondContact O-ND2 3.15Å
35I98.5Very high98.5Very high1 Ų136 Ų361%0.00518%0.183CC..Hα-helixtrans-67-43.9175-53.2-168.5000109.9I7 D8 L10 A15 I31 G32 T33 Y37 N38 E39 A43I7-I35 HydrophobicContact CB-CD1 4.37Å; I7-I35 HydrophobicContact CG2-CD1 4.01Å; I7-I35 WeakPolarHBondContact O-CD1 3.47Å; D8-I35 VanDerWaalsContact O-CG1 3.24Å; D8-I35 WeakPolarHBondContact O-CG1 3.33Å; L10-I35 WeakPolarHBondContact O-CD1 3.42Å; L10-I35 WeakPolarHBondContact O-CG1 3.29Å; A15-I35 HydrophobicContact CB-CD1 4Å; I31-I35 HydrophobicContact CG2-CB 3.79Å; I31-I35 HydrophobicContact CG2-CG2 3.8Å; G32-I35 PolarHBondContact O-N 3.14Å; G32-I35 VanDerWaalsContact O-N 3.11Å; T33-I35 PolarHBondContact O-N 3.31Å; I35-Y37 VanDerWaalsContact C-N 3.28Å; I35-Y37 PolarHBondContact O-N 2.67Å; I35-N38 PolarHBondContact O-N 2.72Å; I35-E39 WeakPolarHBondContact O-CB 3.49Å; I35-E39 PolarHBondContact O-N 2.91Å; I35-A43 HydrophobicContact CG2-CB 3.78Å
36I98.6Very high98.5Very high16 Ų1635.6 Ų35.68%0.08218%0.184CC..Hα-helixtrans-60.2-40.3176.6-63.6172.2000110.6I31 G32 T33 G40 V44 A58 M60I31-I36 HydrophobicContact CG2-CD1 4.42Å; I31-I36 HydrophobicContact CG2-CG1 3.78Å; I31-I36 WeakPolarHBondContact O-CD1 3.47Å; G32-I36 PolarHBondContact O-N 3.01Å; T33-I36 PolarHBondContact O-N 3.46Å; I36-G40 WeakPolarHBondContact O-CA 3.34Å; I36-G40 PolarHBondContact O-N 2.9Å; I36-V44 HydrophobicContact CD1-CG2 4.42Å; I36-V44 HydrophobicContact CG1-CG2 4.36Å; I36-A58 HydrophobicContact CD1-CB 4.39Å; I36-M60 HydrophobicContact CD1-SD 3.86Å; I36-M60 HydrophobicContact CG2-SD 4.12Å
37Y98Very high98.5Very high172 Ų17235.4 Ų35.468%0.67518%0.182SC*.Hα-helixtrans-68-39.5176.8-71.3-9.4000113.2T33 P34 I35T33-Y37 HydrophobicContact CG2-CD1 4.22Å; T33-Y37 HydrophobicContact CG2-CD2 3.94Å; T33-Y37 HydrophobicContact CG2-CE1 3.75Å; T33-Y37 HydrophobicContact CG2-CE2 3.44Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.44Å; T33-Y37 HydrophobicContact CG2-CG 4.3Å; T33-Y37 PolarHBondContact O-N 2.84Å; P34-Y37 PolarHBondContact O-N 2.72Å; I35-Y37 VanDerWaalsContact C-N 3.28Å; I35-Y37 PolarHBondContact O-N 2.67Å
38N98.2Very high98.5Very high134 Ų13434.2 Ų34.272%0.71718%0.18SC*.Hα-helixtrans-78.8-29.9-176.7-69.9-33.7000113.2P34 I35P34-N38 WeakPolarHBondContact O-CB 3.46Å; P34-N38 VanDerWaalsContact O-CG 3.22Å; P34-N38 PolarHBondContact O-N 3.44Å; P34-N38 PolarHBondContact O-ND2 3.15Å; I35-N38 PolarHBondContact O-N 2.72Å
39E98.1Very high98.5Very high48 Ų4839.1 Ų39.122%0.22421%0.206CC..Hα-helixtrans-127.2-8.2-170.2-62.7-156.9-139.400114.8N11 K12 I35 A43N11-E39 WeakPolarHBondContact CA-OE1 3.19Å; N11-E39 VanDerWaalsContact CB-OE1 3.23Å; N11-E39 WeakPolarHBondContact CB-OE1 3.42Å; K12-E39 WeakPolarHBondContact CB-OE2 3.35Å; K12-E39 WeakPolarHBondContact CD-OE2 3.23Å; K12-E39 WeakPolarHBondContact CG-OE2 3.28Å; K12-E39 PolarHBondContact N-OE1 3.06Å; K12-E39 IonicContact NZ-OE2 2.67Å; K12-E39 PolarHBondContact NZ-OE2 3.12Å; I35-E39 WeakPolarHBondContact O-CB 3.49Å; I35-E39 PolarHBondContact O-N 2.91Å; E39-A43 HydrophobicContact CB-CB 3.97Å
40G98.3Very high98.5Very high25 Ų2542.9 Ų42.926%0.25823%0.226SC..  trans71.5-177.4-175.900000113.7I36 P42 A43I36-G40 WeakPolarHBondContact O-CA 3.34Å; I36-G40 PolarHBondContact O-N 2.9Å; G40-P42 VanDerWaalsContact O-N 3.15Å; G40-A43 WeakPolarHBondContact O-CB 3.29Å; G40-A43 PolarHBondContact O-N 3.5Å
41L98.6Very high98.5Very high24 Ų2443 Ų4313%0.12623%0.227CC..THydrogen-bonded Turntrans-54.7-24.5172.9-69.4175.5000115.7A43 V44 K45 M60 Q72 A73 F76L41-A43 PolarHBondContact O-N 2.96Å; L41-A43 VanDerWaalsContact O-N 3.12Å; L41-V44 HydrophobicContact CD2-CG2 4.19Å; L41-V44 WeakPolarHBondContact O-CB 3.46Å; L41-V44 PolarHBondContact O-N 2.95Å; L41-K45 PolarHBondContact O-N 3.41Å; L41-M60 HydrophobicContact CD2-CE 3.99Å; L41-M60 HydrophobicContact CD2-SD 3.52Å; L41-M60 VanDerWaalsContact CD2-SD 3.52Å; L41-Q72 HydrophobicContact CD1-CB 3.5Å; L41-Q72 VanDerWaalsContact CD1-CB 3.5Å; L41-A73 HydrophobicContact CD2-CB 4.38Å; L41-F76 HydrophobicContact CB-CB 4.08Å; L41-F76 HydrophobicContact CB-CD1 3.77Å; L41-F76 HydrophobicContact CB-CD2 3.61Å; L41-F76 HydrophobicContact CB-CE1 4.05Å; L41-F76 HydrophobicContact CB-CE2 3.87Å; L41-F76 HydrophobicContact CB-CG 3.55Å; L41-F76 HydrophobicContact CB-CZ 4.09Å; L41-F76 HydrophobicContact CD1-CD2 3.84Å; L41-F76 HydrophobicContact CD1-CE2 4.05Å; L41-F76 HydrophobicContact CG-CD2 4.33Å; L41-F76 WeakPolarHBondContact O-CD1 3.39Å
42P98.6Very high98.3Very high69 Ų6945.7 Ų45.745%0.44825%0.246SC..Hα-helixtrans-53.1-26.9168.9-3036.9000114.9G40 K45 H46 F76G40-P42 VanDerWaalsContact O-N 3.15Å; P42-K45 PolarHBondContact O-N 2.95Å; P42-H46 WeakPolarHBondContact O-CB 3.13Å; P42-H46 PolarHBondContact O-N 3.05Å; P42-F76 HydrophobicContact CB-CE1 4.45Å; P42-F76 HydrophobicContact CG-CE1 3.88Å
43A98.8Very high98.2Very high0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-65.6-40.3173.100000112.6K12 I31 I35 E39 G40 L41 K45 H46 M47K12-A43 HydrophobicContact CB-CB 3.82Å; I31-A43 HydrophobicContact CG2-CB 4.32Å; I35-A43 HydrophobicContact CG2-CB 3.78Å; E39-A43 HydrophobicContact CB-CB 3.97Å; G40-A43 WeakPolarHBondContact O-CB 3.29Å; G40-A43 PolarHBondContact O-N 3.5Å; L41-A43 PolarHBondContact O-N 2.96Å; L41-A43 VanDerWaalsContact O-N 3.12Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.45Å; A43-H46 PolarHBondContact O-N 3.44Å; A43-M47 PolarHBondContact O-N 2.62Å
44V98.9Very high98.2Very high0 Ų053.7 Ų53.70%029%0.289CS..Hα-helixtrans-61.5-44.3174.2-178.60000110.3I31 I36 L41 H46 M47 A48 V56 A58 F76 A78I31-V44 HydrophobicContact CB-CG2 4.28Å; I31-V44 HydrophobicContact CG2-CG2 4.29Å; I36-V44 HydrophobicContact CD1-CG2 4.42Å; I36-V44 HydrophobicContact CG1-CG2 4.36Å; L41-V44 HydrophobicContact CD2-CG2 4.19Å; L41-V44 WeakPolarHBondContact O-CB 3.46Å; L41-V44 PolarHBondContact O-N 2.95Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 2.88Å; V44-M47 PolarHBondContact O-N 3.33Å; V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.17Å; V44-V56 HydrophobicContact CG1-CG1 4.05Å; V44-A58 HydrophobicContact CG1-CB 4.11Å; V44-A58 HydrophobicContact CG2-CB 3.84Å; V44-F76 CarbonylContact C-O 3.36Å; V44-F76 HydrophobicContact CB-CB 4.37Å; V44-A78 HydrophobicContact CG1-CB 4.14Å
45K98.8Very high98.2Very high78 Ų7854.2 Ų54.234%0.33929%0.287SS..Hα-helixtrans-64.1-40.4176.9-176.863.4165.474.40112.5L41 P42 A43 M47 A48 D49 F76L41-K45 PolarHBondContact O-N 3.41Å; P42-K45 PolarHBondContact O-N 2.95Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.45Å; K45-M47 VanDerWaalsContact C-N 3.34Å; K45-A48 PolarHBondContact O-N 3.24Å; K45-D49 IonicContact NZ-OD1 2.68Å; K45-D49 PolarHBondContact NZ-OD1 2.84Å; K45-D49 IonicContact NZ-OD2 2.61Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 WeakPolarHBondContact O-CB 3.3Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.2Å; K45-F76 WeakPolarHBondContact CA-O 3.27Å; K45-F76 HydrophobicContact CB-CB 4.19Å; K45-F76 HydrophobicContact CB-CD1 3.71Å; K45-F76 HydrophobicContact CB-CG 4.4Å; K45-F76 WeakPolarHBondContact CB-O 3.4Å; K45-F76 PolarHBondContact N-O 3.08Å; K45-F76 VanDerWaalsContact N-O 3.14Å
46H98.8Very high98.2Very high52 Ų5254.3 Ų54.324%0.24129%0.288CS..Hα-helixtrans-61.3-44.1175.6-172.687.6000111.5K12 P42 A43 V44 D49 N50K12-H46 HydrophobicContact CB-CB 4.46Å; K12-H46 HydrophobicContact CD-CB 3.76Å; K12-H46 HydrophobicContact CG-CB 4.37Å; K12-H46 PolarHBondContact O-CD2 3.11Å; P42-H46 WeakPolarHBondContact O-CB 3.13Å; P42-H46 PolarHBondContact O-N 3.05Å; A43-H46 PolarHBondContact O-N 3.44Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 2.88Å; H46-D49 PolarHBondContact O-N 2.83Å; H46-N50 WeakPolarHBondContact O-CB 3.45Å; H46-N50 PolarHBondContact O-N 3.04Å; H46-N50 PolarHBondContact O-ND2 3.35Å
47M98.8Very high98.2Very high1 Ų153.6 Ų53.61%0.00528%0.284CS..Hα-helixtrans-60.4-51.6173.9-178.460.374.200111.4I7 A15 A16 A19 V29 I31 A43 V44 K45 D49 N50 I51 V56I7-M47 HydrophobicContact CD1-CE 4.13Å; A15-M47 HydrophobicContact CB-CE 4.09Å; A15-M47 WeakPolarHBondContact O-CE 3.44Å; A16-M47 HydrophobicContact CB-CE 4.35Å; A16-M47 HydrophobicContact CB-SD 4.42Å; A19-M47 HydrophobicContact CB-CE 3.67Å; A19-M47 HydrophobicContact CB-SD 3.6Å; V29-M47 HydrophobicContact CG2-CG 4.02Å; V29-M47 HydrophobicContact CG2-SD 3.99Å; I31-M47 HydrophobicContact CD1-CB 3.91Å; I31-M47 HydrophobicContact CD1-CE 3.46Å; I31-M47 VanDerWaalsContact CD1-CE 3.46Å; I31-M47 HydrophobicContact CD1-CG 4.11Å; I31-M47 HydrophobicContact CG1-CB 3.94Å; I31-M47 HydrophobicContact CG1-CG 4.23Å; A43-M47 PolarHBondContact O-N 2.62Å; V44-M47 PolarHBondContact O-N 3.33Å; K45-M47 VanDerWaalsContact C-N 3.34Å; M47-D49 VanDerWaalsContact C-N 3.26Å; M47-D49 PolarHBondContact O-N 3.43Å; M47-N50 CarbonylContact O-C 3.57Å; M47-N50 PolarHBondContact O-N 2.97Å; M47-I51 HydrophobicContact CG-CG2 4.3Å; M47-I51 WeakPolarHBondContact O-CB 3.31Å; M47-I51 VanDerWaalsContact O-CG2 3.26Å; M47-I51 WeakPolarHBondContact O-CG2 3.2Å; M47-I51 PolarHBondContact O-N 2.92Å; M47-I51 HydrophobicContact SD-CB 4.1Å; M47-I51 HydrophobicContact SD-CG1 4.48Å; M47-I51 HydrophobicContact SD-CG2 4.33Å; M47-V56 HydrophobicContact CB-CG1 4.46Å; M47-V56 HydrophobicContact CG-CG1 4.12Å; M47-V56 HydrophobicContact CG-CG2 4.06Å
48A98.6Very high98.3Very high28 Ų2845.4 Ų45.423%0.23125%0.252CS..Hα-helixtrans-58.9-34.1-179.500000113.5V44 K45 V56V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.17Å; K45-A48 PolarHBondContact O-N 3.24Å; A48-V56 HydrophobicContact CB-CG2 4.25Å
49D98.6Very high98.3Very high104 Ų10439.2 Ų39.256%0.55622%0.219SC*.Hα-helixtrans-75.8-23.9177-72.4-19.1000113.7K45 H46 M47K45-D49 IonicContact NZ-OD1 2.68Å; K45-D49 PolarHBondContact NZ-OD1 2.84Å; K45-D49 IonicContact NZ-OD2 2.61Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 WeakPolarHBondContact O-CB 3.3Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.2Å; H46-D49 PolarHBondContact O-N 2.83Å; M47-D49 VanDerWaalsContact C-N 3.26Å; M47-D49 PolarHBondContact O-N 3.43Å
50N98.4Very high98.3Very high78 Ų7838.2 Ų38.242%0.41721%0.214SC..Hα-helixtrans-110.6-0.6-172.5-71.5-81.5000113.7A16 N20 H46 M47A16-N50 HydrophobicContact CB-CB 4.26Å; N20-N50 PolarHBondContact ND2-O 3.42Å; H46-N50 WeakPolarHBondContact O-CB 3.45Å; H46-N50 PolarHBondContact O-N 3.04Å; H46-N50 PolarHBondContact O-ND2 3.35Å; M47-N50 CarbonylContact O-C 3.57Å; M47-N50 PolarHBondContact O-N 2.97Å
51I98.1Very high98.3Very high17 Ų1739.3 Ų39.39%0.08721%0.212CC..  trans-120.1149.8178.5-151.967.4000111.1A19 N20 K23 V29 M47 V54 V56A19-I51 HydrophobicContact CB-CD1 3.79Å; A19-I51 HydrophobicContact CB-CG1 4.48Å; N20-I51 HydrophobicContact CB-CD1 4.42Å; K23-I51 HydrophobicContact CB-CD1 4.1Å; K23-I51 HydrophobicContact CD-CD1 4.02Å; V29-I51 HydrophobicContact CG2-CG1 4.35Å; V29-I51 HydrophobicContact CG2-CG2 4.31Å; M47-I51 HydrophobicContact CG-CG2 4.3Å; M47-I51 WeakPolarHBondContact O-CB 3.31Å; M47-I51 VanDerWaalsContact O-CG2 3.26Å; M47-I51 WeakPolarHBondContact O-CG2 3.2Å; M47-I51 PolarHBondContact O-N 2.92Å; M47-I51 HydrophobicContact SD-CB 4.1Å; M47-I51 HydrophobicContact SD-CG1 4.48Å; M47-I51 HydrophobicContact SD-CG2 4.33Å; I51-V54 HydrophobicContact CB-CG2 4.29Å; I51-V54 HydrophobicContact CD1-CG2 4.37Å; I51-V54 HydrophobicContact CG1-CG2 3.3Å; I51-V54 HydrophobicContact CG2-CG2 3.99Å; I51-V56 HydrophobicContact CG2-CG2 3.67Å
52S96.3Very high98.3Very high59 Ų5938.6 Ų38.641%0.41321%0.208SC..  trans-141.2155.3177.960.80000110.9V54S52-V54 PolarHBondContact O-N 3.25Å
53N94.5Very high98.3Very high161 Ų16139.5 Ų39.586%0.86121%0.208SC*.SBendtrans62.114.9178.9-53.9-31000115.9
54V98.1Very high98.3Very high19 Ų1945 Ų4512%0.11524%0.237CC..SBendtrans-136.2150.9173.5-58.90000108.9K23 V26 V29 I51 S52K23-V54 HydrophobicContact CB-CG1 3.99Å; K23-V54 WeakPolarHBondContact O-CG1 3.5Å; V26-V54 HydrophobicContact CG2-CG1 4.41Å; V26-V54 VanDerWaalsContact O-CG1 3.27Å; V26-V54 WeakPolarHBondContact O-CG1 3.36Å; V29-V54 HydrophobicContact CG1-CG2 4.07Å; V29-V54 HydrophobicContact CG2-CG2 3.88Å; I51-V54 HydrophobicContact CB-CG2 4.29Å; I51-V54 HydrophobicContact CD1-CG2 4.37Å; I51-V54 HydrophobicContact CG1-CG2 3.3Å; I51-V54 HydrophobicContact CG2-CG2 3.99Å; S52-V54 PolarHBondContact O-N 3.25Å
55K98.8Very high98.2Very high53 Ų5347.3 Ų47.323%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-76.8146.8174.5-61.1-180-136.5162.70110E2 D27 I28 V29 D79 V80 Y130E2-K55 IonicContact OE1-NZ 3.53Å; E2-K55 PolarHBondContact OE1-NZ 3.36Å; D27-K55 PolarHBondContact O-N 3.16Å; I28-K55 CarbonylContact C-O 3.49Å; I28-K55 WeakPolarHBondContact CA-O 3.35Å; I28-K55 HydrophobicContact CG1-CB 4.18Å; I28-K55 HydrophobicContact CG1-CD 4.39Å; I28-K55 HydrophobicContact CG2-CB 4.31Å; V29-K55 PolarHBondContact N-O 3.06Å; K55-D79 WeakPolarHBondContact CA-OD2 3.28Å; K55-D79 HydrophobicContact CB-CB 3.96Å; K55-D79 HydrophobicContact CG-CB 4.37Å; K55-V80 HydrophobicContact CD-CG2 4.35Å; K55-Y130 PolarHBondContact NZ-OH 2.92Å
56V98.9Very high98.2Very high3 Ų343.7 Ų43.72%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-99123.7171-179.90000109.9V29 V44 M47 A48 I51 D79 V80V29-V56 HydrophobicContact CG2-CG2 4.19Å; V29-V56 CarbonylContact O-C 3.47Å; V29-V56 WeakPolarHBondContact O-CA 2.94Å; V44-V56 HydrophobicContact CG1-CG1 4.05Å; M47-V56 HydrophobicContact CB-CG1 4.46Å; M47-V56 HydrophobicContact CG-CG1 4.12Å; M47-V56 HydrophobicContact CG-CG2 4.06Å; A48-V56 HydrophobicContact CB-CG2 4.25Å; I51-V56 HydrophobicContact CG2-CG2 3.67Å; V56-D79 PolarHBondContact N-OD2 3.09Å; V56-D79 WeakPolarHBondContact O-CA 3.34Å; V56-D79 PolarHBondContact O-N 3.48Å; V56-V80 PolarHBondContact O-N 3.34Å; V56-V80 VanDerWaalsContact O-N 3.14Å
57L98.9Very high98.2Very high0 Ų045.4 Ų45.40%025%0.252CS..EExtended strand (participates in β ladder)trans-101.5132.1171.1-177.3151.1000110.1I28 V29 E30 I31 D59 V80 T82 L107I28-L57 HydrophobicContact CG2-CB 3.7Å; V29-L57 PolarHBondContact O-N 2.72Å; E30-L57 WeakPolarHBondContact CA-O 3.34Å; E30-L57 HydrophobicContact CB-CB 4.06Å; E30-L57 HydrophobicContact CB-CD2 3.69Å; E30-L57 HydrophobicContact CB-CG 4.45Å; E30-L57 HydrophobicContact CG-CD2 3.44Å; E30-L57 VanDerWaalsContact CG-CD2 3.44Å; I31-L57 PolarHBondContact N-O 3.43Å; L57-D59 HydrophobicContact CD2-CB 3.91Å; L57-V80 CarbonylContact C-O 3.51Å; L57-V80 VanDerWaalsContact CA-O 3.26Å; L57-V80 WeakPolarHBondContact CA-O 3.48Å; L57-V80 HydrophobicContact CB-CB 4.02Å; L57-V80 HydrophobicContact CD1-CB 3.8Å; L57-V80 HydrophobicContact CD1-CG1 3.6Å; L57-V80 HydrophobicContact CG-CB 3.93Å; L57-V80 HydrophobicContact CG-CG1 4.17Å; L57-T82 HydrophobicContact CD1-CG2 4.2Å; L57-T82 HydrophobicContact CD2-CG2 3.73Å; L57-T82 HydrophobicContact CG-CG2 4.25Å; L57-L107 HydrophobicContact CD1-CD1 4.1Å
58A98.9Very high98.2Very high0 Ų051.3 Ų51.30%028%0.275CS..EExtended strand (participates in β ladder)trans-102.6111.5169.800000109.2I36 V44 M60 A73 A78 V80 T82I36-A58 HydrophobicContact CD1-CB 4.39Å; V44-A58 HydrophobicContact CG1-CB 4.11Å; V44-A58 HydrophobicContact CG2-CB 3.84Å; A58-M60 HydrophobicContact CB-CG 4.07Å; A58-M60 HydrophobicContact CB-SD 4.38Å; A58-M60 PolarHBondContact O-N 2.9Å; A58-A73 HydrophobicContact CB-CB 4.13Å; A58-A78 HydrophobicContact CB-CB 3.78Å; A58-V80 PolarHBondContact N-O 3.01Å; A58-T82 PolarHBondContact O-N 3.16Å
59D98.8Very high98.2Very high4 Ų452.9 Ų52.92%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-84.171-178.2179.935.4000111.7E30 I31 T33 L57 K61 T82E30-D59 HydrophobicContact CG-CB 3.92Å; E30-D59 WeakPolarHBondContact OE1-CB 3.48Å; E30-D59 VanDerWaalsContact OE1-CG 3.28Å; I31-D59 WeakPolarHBondContact O-CB 3.14Å; I31-D59 PolarHBondContact O-N 3.23Å; T33-D59 WeakPolarHBondContact CA-O 3.27Å; T33-D59 PolarHBondContact N-OD2 2.84Å; T33-D59 PolarHBondContact OG1-O 2.97Å; T33-D59 PolarHBondContact OG1-OD2 3.15Å; L57-D59 HydrophobicContact CD2-CB 3.91Å; D59-K61 WeakPolarHBondContact OD1-CG 3.03Å; D59-K61 IonicContact OD1-NZ 3.95Å; D59-K61 PolarHBondContact OD1-NZ 2.9Å; D59-K61 IonicContact OD2-NZ 2.81Å; D59-K61 PolarHBondContact OD2-NZ 3.27Å; D59-T82 VanDerWaalsContact C-OG1 3.28Å; D59-T82 VanDerWaalsContact CA-OG1 3.28Å; D59-T82 WeakPolarHBondContact CA-OG1 3.44Å; D59-T82 HydrophobicContact CB-CG2 4.33Å; D59-T82 PolarHBondContact OD1-OG1 2.85Å
60M98.7Very high98.2Very high27 Ų2747.9 Ų47.913%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-73-25.1-174-65-64.4-65.200113.4I36 L41 A58 I62 A73 I81 T82I36-M60 HydrophobicContact CD1-SD 3.86Å; I36-M60 HydrophobicContact CG2-SD 4.12Å; L41-M60 HydrophobicContact CD2-CE 3.99Å; L41-M60 HydrophobicContact CD2-SD 3.52Å; L41-M60 VanDerWaalsContact CD2-SD 3.52Å; A58-M60 HydrophobicContact CB-CG 4.07Å; A58-M60 HydrophobicContact CB-SD 4.38Å; A58-M60 PolarHBondContact O-N 2.9Å; M60-I62 HydrophobicContact CB-CD1 4.05Å; M60-I62 HydrophobicContact CB-CG1 3.6Å; M60-I62 PolarHBondContact O-N 2.96Å; M60-A73 HydrophobicContact CG-CB 4.09Å; M60-A73 HydrophobicContact SD-CB 4.32Å; M60-I81 HydrophobicContact CB-CG2 4.26Å; M60-I81 HydrophobicContact CG-CG2 3.89Å; M60-T82 PolarHBondContact N-OG1 2.64Å
61K98.3Very high98.2Very high49 Ų4945.7 Ų45.721%0.21324%0.241CC..EExtended strand (participates in β ladder)trans45.348-173.5-69.3-173.1168.9530112.2T33 D59 T82 L84 D109T33-K61 WeakPolarHBondContact OG1-CD 3.44Å; T33-K61 PolarHBondContact OG1-NZ 3.33Å; D59-K61 WeakPolarHBondContact OD1-CG 3.03Å; D59-K61 IonicContact OD1-NZ 3.95Å; D59-K61 PolarHBondContact OD1-NZ 2.9Å; D59-K61 IonicContact OD2-NZ 2.81Å; D59-K61 PolarHBondContact OD2-NZ 3.27Å; K61-T82 PolarHBondContact N-O 2.75Å; K61-T82 PolarHBondContact N-OG1 3.47Å; K61-L84 HydrophobicContact CB-CD1 4.38Å; K61-L84 HydrophobicContact CB-CD2 4.11Å; K61-L84 HydrophobicContact CB-CG 4.1Å; K61-L84 HydrophobicContact CD-CD2 4.33Å; K61-L84 HydrophobicContact CG-CD2 4.14Å; K61-D109 IonicContact NZ-OD2 2.88Å
62I98.8Very high98.3Very high8 Ų846.5 Ų46.54%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-54.9143.4-177.6-63.8169.3000109.8M60 D64 A66 E69 V70 I81 T82 I83 L84M60-I62 HydrophobicContact CB-CD1 4.05Å; M60-I62 HydrophobicContact CB-CG1 3.6Å; M60-I62 PolarHBondContact O-N 2.96Å; I62-D64 WeakPolarHBondContact CG2-O 3.3Å; I62-A66 HydrophobicContact CG2-CB 3.92Å; I62-E69 HydrophobicContact CD1-CB 3.64Å; I62-E69 HydrophobicContact CG1-CB 3.84Å; I62-E69 HydrophobicContact CG2-CB 4.39Å; I62-V70 HydrophobicContact CD1-CG2 3.67Å; I62-I81 HydrophobicContact CD1-CG2 3.81Å; I62-T82 WeakPolarHBondContact CG1-O 3.37Å; I62-T82 PolarHBondContact N-O 3.42Å; I62-I83 HydrophobicContact CB-CB 4.14Å; I62-I83 HydrophobicContact CB-CD1 4.25Å; I62-I83 HydrophobicContact CB-CG1 3.91Å; I62-I83 HydrophobicContact CG2-CD1 3.92Å; I62-I83 HydrophobicContact CG2-CG1 4.1Å; I62-I83 WeakPolarHBondContact O-CG1 3.41Å; I62-L84 PolarHBondContact O-N 3.19Å
63M98.6Very high98.4Very high89 Ų8943.7 Ų43.744%0.43823%0.225SC..  trans-126.5-34.9177.4-167.265.7-172.200112.1L84 V86 A87M63-L84 HydrophobicContact SD-CB 4.29Å; M63-L84 HydrophobicContact SD-CD1 3.97Å; M63-V86 HydrophobicContact CE-CG2 4.16Å; M63-V86 HydrophobicContact SD-CG2 4.11Å; M63-A87 HydrophobicContact SD-CB 3.97Å
64D98.2Very high98.6Very high116 Ų11637.2 Ų37.262%0.6219%0.19SC*.SBendtrans-146.3178.9176.570.9-38.6000111.2I62 A66I62-D64 WeakPolarHBondContact CG2-O 3.3Å; D64-A66 PolarHBondContact O-N 2.94Å; D64-A66 VanDerWaalsContact O-N 3.07Å
65A97.5Very high98.6Very high48 Ų4843.4 Ų43.440%0.39722%0.215SC..SBendtrans48.737.6-176.600000113.5D67 Y68 E69A65-D67 PolarHBondContact O-N 3.26Å; A65-Y68 WeakPolarHBondContact O-CB 3.44Å; A65-Y68 PolarHBondContact O-N 3Å; A65-Y68 VanDerWaalsContact O-N 3.09Å; A65-E69 PolarHBondContact O-N 2.94Å
66A98.6Very high98.6Very high2 Ų243.1 Ų43.12%0.01722%0.215CC..Hα-helixtrans-62.1-40.1-161.100000115I62 D64 V70 I83 S91 A95I62-A66 HydrophobicContact CG2-CB 3.92Å; D64-A66 PolarHBondContact O-N 2.94Å; D64-A66 VanDerWaalsContact O-N 3.07Å; A66-V70 VanDerWaalsContact O-CB 3.29Å; A66-V70 WeakPolarHBondContact O-CB 3.38Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.93Å; A66-I83 HydrophobicContact CB-CD1 4.03Å; A66-S91 WeakPolarHBondContact CB-O 3.5Å; A66-A95 HydrophobicContact CB-CB 3.94Å
67D98.3Very high98.6Very high88 Ų8844.1 Ų44.147%0.47123%0.225SC..Hα-helixtrans-60.4-46.7174.761.3-32.3000111.3A65 S71 A94 E98A65-D67 PolarHBondContact O-N 3.26Å; D67-S71 VanDerWaalsContact O-CB 3.31Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 3.35Å; D67-A94 HydrophobicContact CB-CB 4.32Å; D67-E98 HydrophobicContact CB-CB 4.37Å
68Y98.7Very high98.6Very high124 Ų12444.1 Ų44.149%0.48623%0.225SC..Hα-helixtrans-62.8-51.2178.3176.3-100.7000111.5A65 V70 S71 Q72A65-Y68 WeakPolarHBondContact O-CB 3.44Å; A65-Y68 PolarHBondContact O-N 3Å; A65-Y68 VanDerWaalsContact O-N 3.09Å; Y68-V70 PolarHBondContact O-N 3.44Å; Y68-S71 PolarHBondContact O-N 2.74Å; Y68-S71 VanDerWaalsContact O-N 3.15Å; Y68-S71 PolarHBondContact O-OG 3.23Å; Y68-Q72 HydrophobicContact CD1-CG 4.27Å; Y68-Q72 HydrophobicContact CD2-CG 4.46Å; Y68-Q72 HydrophobicContact CE1-CG 3.78Å; Y68-Q72 HydrophobicContact CE2-CG 4Å; Y68-Q72 WeakPolarHBondContact O-CG 3.32Å; Y68-Q72 PolarHBondContact O-N 2.98Å
69E98.8Very high98.6Very high61 Ų6146.3 Ų46.329%0.28524%0.237SC..Hα-helixtrans-64.4-40.9-177.4-65.7-57.7154.100112.3I62 A65 Q72 A73I62-E69 HydrophobicContact CD1-CB 3.64Å; I62-E69 HydrophobicContact CG1-CB 3.84Å; I62-E69 HydrophobicContact CG2-CB 4.39Å; A65-E69 PolarHBondContact O-N 2.94Å; E69-Q72 PolarHBondContact O-N 2.81Å; E69-A73 PolarHBondContact O-N 2.81Å
70V98.9Very high98.6Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-60-47.8171.6169.50000110.4I62 A66 Y68 Q72 A73 I74 I81 A95 E98 A99 L106I62-V70 HydrophobicContact CD1-CG2 3.67Å; A66-V70 VanDerWaalsContact O-CB 3.29Å; A66-V70 WeakPolarHBondContact O-CB 3.38Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.93Å; Y68-V70 PolarHBondContact O-N 3.44Å; V70-Q72 PolarHBondContact O-N 2.82Å; V70-A73 PolarHBondContact O-N 2.89Å; V70-I74 HydrophobicContact CG1-CD1 3.62Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.31Å; V70-I81 HydrophobicContact CG1-CD1 4.45Å; V70-I81 HydrophobicContact CG2-CG2 4.08Å; V70-A95 HydrophobicContact CG2-CB 3.84Å; V70-E98 HydrophobicContact CB-CB 4.49Å; V70-E98 HydrophobicContact CB-CG 4.46Å; V70-E98 HydrophobicContact CG1-CB 4.17Å; V70-E98 HydrophobicContact CG1-CG 4.13Å; V70-A99 HydrophobicContact CG1-CB 4.15Å; V70-L106 HydrophobicContact CG2-CD1 4.13Å
71S98.8Very high98.6Very high32 Ų3244.9 Ų44.922%0.22423%0.23CC..Hα-helixtrans-59.8-35.217980.90000112.5D67 Y68 K75D67-S71 VanDerWaalsContact O-CB 3.31Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 3.35Å; Y68-S71 PolarHBondContact O-N 2.74Å; Y68-S71 VanDerWaalsContact O-N 3.15Å; Y68-S71 PolarHBondContact O-OG 3.23Å; S71-K75 WeakPolarHBondContact O-CB 3.48Å; S71-K75 PolarHBondContact O-N 2.88Å
72Q98.8Very high98.7Very high34 Ų3442.7 Ų42.716%0.15922%0.221CC..Hα-helixtrans-68.8-49.3175.7-65.4-44.9-65.900110.8L41 Y68 E69 V70 I74 K75 F76L41-Q72 HydrophobicContact CD1-CB 3.5Å; L41-Q72 VanDerWaalsContact CD1-CB 3.5Å; Y68-Q72 HydrophobicContact CD1-CG 4.27Å; Y68-Q72 HydrophobicContact CD2-CG 4.46Å; Y68-Q72 HydrophobicContact CE1-CG 3.78Å; Y68-Q72 HydrophobicContact CE2-CG 4Å; Y68-Q72 WeakPolarHBondContact O-CG 3.32Å; Y68-Q72 PolarHBondContact O-N 2.98Å; E69-Q72 PolarHBondContact O-N 2.81Å; V70-Q72 PolarHBondContact O-N 2.82Å; Q72-I74 VanDerWaalsContact C-N 3.28Å; Q72-I74 PolarHBondContact O-N 3.25Å; Q72-K75 WeakPolarHBondContact O-CB 3.32Å; Q72-K75 PolarHBondContact O-N 2.87Å; Q72-K75 VanDerWaalsContact O-N 3.14Å; Q72-F76 VanDerWaalsContact O-CD2 3.31Å; Q72-F76 WeakPolarHBondContact O-CD2 3.06Å; Q72-F76 PolarHBondContact O-N 2.92Å; Q72-F76 VanDerWaalsContact O-N 3.12Å
73A98.9Very high98.7Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-56.8-42.5177.500000112.3L41 A58 M60 E69 V70 F76 G77 A78 I81L41-A73 HydrophobicContact CD2-CB 4.38Å; A58-A73 HydrophobicContact CB-CB 4.13Å; M60-A73 HydrophobicContact CG-CB 4.09Å; M60-A73 HydrophobicContact SD-CB 4.32Å; E69-A73 PolarHBondContact O-N 2.81Å; V70-A73 PolarHBondContact O-N 2.89Å; A73-F76 CarbonylContact O-C 3.58Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.14Å; A73-G77 PolarHBondContact O-N 2.83Å; A73-A78 HydrophobicContact CB-CB 4.08Å; A73-A78 WeakPolarHBondContact O-CB 3.39Å; A73-A78 PolarHBondContact O-N 3.09Å; A73-A78 VanDerWaalsContact O-N 3.07Å; A73-I81 HydrophobicContact CB-CG1 3.76Å; A73-I81 HydrophobicContact CB-CG2 4.17Å
74I98.8Very high98.7Very high25 Ų2539.5 Ų39.513%0.12821%0.205CC..Hα-helixtrans-63.1-43.9176.7-66175.9000111.6V70 Q72 F76 G77 I81 N102 K104V70-I74 HydrophobicContact CG1-CD1 3.62Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.31Å; Q72-I74 VanDerWaalsContact C-N 3.28Å; Q72-I74 PolarHBondContact O-N 3.25Å; I74-F76 PolarHBondContact O-N 2.99Å; I74-G77 PolarHBondContact O-N 2.89Å; I74-I81 HydrophobicContact CD1-CD1 4.19Å; I74-I81 HydrophobicContact CG1-CD1 3.67Å; I74-I81 HydrophobicContact CG1-CG1 4.45Å; I74-N102 HydrophobicContact CD1-CB 3.8Å; I74-N102 HydrophobicContact CG2-CB 4.12Å; I74-K104 HydrophobicContact CD1-CB 3.97Å; I74-K104 HydrophobicContact CD1-CG 3.8Å; I74-K104 HydrophobicContact CG1-CB 4.31Å; I74-K104 HydrophobicContact CG1-CG 3.9Å; I74-K104 HydrophobicContact CG2-CG 4.15Å
75K98.7Very high98.7Very high148 Ų14834 Ų3464%0.64318%0.176SC*.Hα-helixtrans-57.8-31.4175.5174.4-175.5169.6-170.40112.3S71 Q72 G77S71-K75 WeakPolarHBondContact O-CB 3.48Å; S71-K75 PolarHBondContact O-N 2.88Å; Q72-K75 WeakPolarHBondContact O-CB 3.32Å; Q72-K75 PolarHBondContact O-N 2.87Å; Q72-K75 VanDerWaalsContact O-N 3.14Å; K75-G77 VanDerWaalsContact C-N 3.33Å
76F98.8Very high98.8Very high48 Ų4834.9 Ų34.921%0.21118%0.176CC..THydrogen-bonded Turntrans-908.8175.5-76.9-99.2000113.5L41 P42 V44 K45 Q72 A73 I74L41-F76 HydrophobicContact CB-CB 4.08Å; L41-F76 HydrophobicContact CB-CD1 3.77Å; L41-F76 HydrophobicContact CB-CD2 3.61Å; L41-F76 HydrophobicContact CB-CE1 4.05Å; L41-F76 HydrophobicContact CB-CE2 3.87Å; L41-F76 HydrophobicContact CB-CG 3.55Å; L41-F76 HydrophobicContact CB-CZ 4.09Å; L41-F76 HydrophobicContact CD1-CD2 3.84Å; L41-F76 HydrophobicContact CD1-CE2 4.05Å; L41-F76 HydrophobicContact CG-CD2 4.33Å; L41-F76 WeakPolarHBondContact O-CD1 3.39Å; P42-F76 HydrophobicContact CB-CE1 4.45Å; P42-F76 HydrophobicContact CG-CE1 3.88Å; V44-F76 CarbonylContact C-O 3.36Å; V44-F76 HydrophobicContact CB-CB 4.37Å; K45-F76 WeakPolarHBondContact CA-O 3.27Å; K45-F76 HydrophobicContact CB-CB 4.19Å; K45-F76 HydrophobicContact CB-CD1 3.71Å; K45-F76 HydrophobicContact CB-CG 4.4Å; K45-F76 WeakPolarHBondContact CB-O 3.4Å; K45-F76 PolarHBondContact N-O 3.08Å; K45-F76 VanDerWaalsContact N-O 3.14Å; Q72-F76 VanDerWaalsContact O-CD2 3.31Å; Q72-F76 WeakPolarHBondContact O-CD2 3.06Å; Q72-F76 PolarHBondContact O-N 2.92Å; Q72-F76 VanDerWaalsContact O-N 3.12Å; A73-F76 CarbonylContact O-C 3.58Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.14Å; I74-F76 PolarHBondContact O-N 2.99Å
77G98.5Very high98.8Very high24 Ų2434.8 Ų34.825%0.24718%0.176CC..THydrogen-bonded Turntrans97.712.1168.800000115.5A73 I74 K75A73-G77 PolarHBondContact O-N 2.83Å; I74-G77 PolarHBondContact O-N 2.89Å; K75-G77 VanDerWaalsContact C-N 3.33Å
78A98.9Very high98.8Very high0 Ų037.4 Ų37.40%019%0.185CC..  trans-66.5136.5173.500000111.9V44 A58 A73 I81 K104V44-A78 HydrophobicContact CG1-CB 4.14Å; A58-A78 HydrophobicContact CB-CB 3.78Å; A73-A78 HydrophobicContact CB-CB 4.08Å; A73-A78 WeakPolarHBondContact O-CB 3.39Å; A73-A78 PolarHBondContact O-N 3.09Å; A73-A78 VanDerWaalsContact O-N 3.07Å; A78-I81 HydrophobicContact CB-CD1 4.14Å; A78-I81 HydrophobicContact CB-CG1 3.95Å; A78-K104 WeakPolarHBondContact O-CE 3.32Å
79D98.9Very high98.8Very high46 Ų4634.3 Ų34.325%0.24618%0.177CC..SBendtrans-94.7-32.1170-63.6-56.8000112.3K55 V56 K104 Q105K55-D79 WeakPolarHBondContact CA-OD2 3.28Å; K55-D79 HydrophobicContact CB-CB 3.96Å; K55-D79 HydrophobicContact CG-CB 4.37Å; V56-D79 PolarHBondContact N-OD2 3.09Å; V56-D79 WeakPolarHBondContact O-CA 3.34Å; V56-D79 PolarHBondContact O-N 3.48Å; D79-K104 IonicContact OD1-NZ 3.59Å; D79-K104 PolarHBondContact OD1-NZ 3.02Å; D79-Q105 PolarHBondContact O-N 2.83Å
80V98.9Very high98.8Very high1 Ų135.1 Ų35.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-129.3138.9176.6-167.40000109.2K55 V56 L57 A58 Q105 L107K55-V80 HydrophobicContact CD-CG2 4.35Å; V56-V80 PolarHBondContact O-N 3.34Å; V56-V80 VanDerWaalsContact O-N 3.14Å; L57-V80 CarbonylContact C-O 3.51Å; L57-V80 VanDerWaalsContact CA-O 3.26Å; L57-V80 WeakPolarHBondContact CA-O 3.48Å; L57-V80 HydrophobicContact CB-CB 4.02Å; L57-V80 HydrophobicContact CD1-CB 3.8Å; L57-V80 HydrophobicContact CD1-CG1 3.6Å; L57-V80 HydrophobicContact CG-CB 3.93Å; L57-V80 HydrophobicContact CG-CG1 4.17Å; A58-V80 PolarHBondContact N-O 3.01Å; V80-Q105 WeakPolarHBondContact CA-O 3.31Å; V80-Q105 HydrophobicContact CG1-CB 4.38Å; V80-Q105 HydrophobicContact CG2-CB 4.3Å; V80-L107 HydrophobicContact CG1-CB 3.98Å
81I98.9Very high98.7Very high0 Ų036 Ų360%020%0.2CC..EExtended strand (participates in β ladder)trans-128.2142.3-177.4-56.887000108.8M60 I62 V70 A73 I74 A78 K104 Q105 L106 L107M60-I81 HydrophobicContact CB-CG2 4.26Å; M60-I81 HydrophobicContact CG-CG2 3.89Å; I62-I81 HydrophobicContact CD1-CG2 3.81Å; V70-I81 HydrophobicContact CG1-CD1 4.45Å; V70-I81 HydrophobicContact CG2-CG2 4.08Å; A73-I81 HydrophobicContact CB-CG1 3.76Å; A73-I81 HydrophobicContact CB-CG2 4.17Å; I74-I81 HydrophobicContact CD1-CD1 4.19Å; I74-I81 HydrophobicContact CG1-CD1 3.67Å; I74-I81 HydrophobicContact CG1-CG1 4.45Å; A78-I81 HydrophobicContact CB-CD1 4.14Å; A78-I81 HydrophobicContact CB-CG1 3.95Å; I81-K104 HydrophobicContact CD1-CB 4.26Å; I81-Q105 PolarHBondContact N-O 3.33Å; I81-Q105 VanDerWaalsContact N-O 3.1Å; I81-L106 HydrophobicContact CB-CD1 4.36Å; I81-L106 WeakPolarHBondContact O-CD1 3.29Å; I81-L107 PolarHBondContact O-N 3.2Å
82T98.9Very high98.8Very high3 Ų334.5 Ų34.52%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-98.6139178.772.10000113.2L57 A58 D59 M60 K61 I62 L107L57-T82 HydrophobicContact CD1-CG2 4.2Å; L57-T82 HydrophobicContact CD2-CG2 3.73Å; L57-T82 HydrophobicContact CG-CG2 4.25Å; A58-T82 PolarHBondContact O-N 3.16Å; D59-T82 VanDerWaalsContact C-OG1 3.28Å; D59-T82 VanDerWaalsContact CA-OG1 3.28Å; D59-T82 WeakPolarHBondContact CA-OG1 3.44Å; D59-T82 HydrophobicContact CB-CG2 4.33Å; D59-T82 PolarHBondContact OD1-OG1 2.85Å; M60-T82 PolarHBondContact N-OG1 2.64Å; K61-T82 PolarHBondContact N-O 2.75Å; K61-T82 PolarHBondContact N-OG1 3.47Å; I62-T82 WeakPolarHBondContact CG1-O 3.37Å; I62-T82 PolarHBondContact N-O 3.42Å; T82-L107 VanDerWaalsContact CA-O 3.27Å; T82-L107 WeakPolarHBondContact CA-O 3.48Å; T82-L107 HydrophobicContact CG2-CB 4.37Å; T82-L107 HydrophobicContact CG2-CD2 3.96Å
83I98.9Very high98.8Very high0 Ų037.5 Ų37.50%020%0.202CC..EExtended strand (participates in β ladder)trans-127.6148.3166.7-171.8159.4000108.8I62 A66 A87 I92 A95 L106 L107 V108 D109I62-I83 HydrophobicContact CB-CB 4.14Å; I62-I83 HydrophobicContact CB-CD1 4.25Å; I62-I83 HydrophobicContact CB-CG1 3.91Å; I62-I83 HydrophobicContact CG2-CD1 3.92Å; I62-I83 HydrophobicContact CG2-CG1 4.1Å; I62-I83 WeakPolarHBondContact O-CG1 3.41Å; A66-I83 HydrophobicContact CB-CD1 4.03Å; I83-A87 HydrophobicContact CD1-CB 4.32Å; I83-A87 HydrophobicContact CG1-CB 4.14Å; I83-I92 HydrophobicContact CD1-CG1 3.98Å; I83-I92 HydrophobicContact CG1-CG1 4.37Å; I83-A95 HydrophobicContact CD1-CB 3.8Å; I83-L106 HydrophobicContact CB-CD1 4.45Å; I83-L106 HydrophobicContact CG2-CD1 4.16Å; I83-L106 HydrophobicContact CG2-CD2 3.66Å; I83-L106 HydrophobicContact CG2-CG 3.95Å; I83-L107 PolarHBondContact N-O 2.86Å; I83-V108 HydrophobicContact CG2-CB 4.31Å; I83-V108 HydrophobicContact CG2-CG1 4.3Å; I83-V108 HydrophobicContact CG2-CG2 3.81Å; I83-V108 CarbonylContact O-C 3.56Å; I83-V108 WeakPolarHBondContact O-CA 3.36Å; I83-D109 PolarHBondContact O-N 3.06Å
84L98.9Very high98.7Very high29 Ų2938.8 Ų38.815%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-75.2134.6176.3-65.8171.1000110.8K61 I62 M63 V86 A87 D109 I111K61-L84 HydrophobicContact CB-CD1 4.38Å; K61-L84 HydrophobicContact CB-CD2 4.11Å; K61-L84 HydrophobicContact CB-CG 4.1Å; K61-L84 HydrophobicContact CD-CD2 4.33Å; K61-L84 HydrophobicContact CG-CD2 4.14Å; I62-L84 PolarHBondContact O-N 3.19Å; M63-L84 HydrophobicContact SD-CB 4.29Å; M63-L84 HydrophobicContact SD-CD1 3.97Å; L84-V86 HydrophobicContact CB-CG2 3.86Å; L84-V86 HydrophobicContact CD1-CG2 4.42Å; L84-V86 PolarHBondContact O-N 2.93Å; L84-A87 WeakPolarHBondContact O-CB 3.43Å; L84-A87 PolarHBondContact O-N 3.42Å; L84-D109 HydrophobicContact CD2-CB 4.45Å; L84-I111 HydrophobicContact CD2-CG2 3.43Å; L84-I111 VanDerWaalsContact CD2-CG2 3.43Å
85G98.7Very high98.8Very high0 Ų037.6 Ų37.60%021%0.207CC..THydrogen-bonded Turntrans-65.2-16.1174.600000113.4A87 D109 R119G85-A87 VanDerWaalsContact C-N 3.34Å; G85-D109 PolarHBondContact N-O 2.83Å; G85-R119 PolarHBondContact O-NE 3.38Å; G85-R119 PolarHBondContact O-NH2 2.76Å
86V98.4Very high98.8Very high67 Ų6731 Ų3141%0.40618%0.178SC..THydrogen-bonded Turntrans-83.5-6.2171.7-63.10000113.7M63 L84 V113M63-V86 HydrophobicContact CE-CG2 4.16Å; M63-V86 HydrophobicContact SD-CG2 4.11Å; L84-V86 HydrophobicContact CB-CG2 3.86Å; L84-V86 HydrophobicContact CD1-CG2 4.42Å; L84-V86 PolarHBondContact O-N 2.93Å; V86-V113 HydrophobicContact CG1-CG2 3.72Å
87A98.6Very high98.8Very high1 Ų135.2 Ų35.21%0.00820%0.199CC..SBendtrans-65.7157.9174.500000111.4M63 I83 L84 G85 I92 R119M63-A87 HydrophobicContact SD-CB 3.97Å; I83-A87 HydrophobicContact CD1-CB 4.32Å; I83-A87 HydrophobicContact CG1-CB 4.14Å; L84-A87 WeakPolarHBondContact O-CB 3.43Å; L84-A87 PolarHBondContact O-N 3.42Å; G85-A87 VanDerWaalsContact C-N 3.34Å; A87-I92 HydrophobicContact CB-CD1 4.43Å; A87-I92 HydrophobicContact CB-CG1 4.12Å; A87-R119 PolarHBondContact O-NH2 3.29Å
88E98.5Very high98.8Very high142 Ų14235.6 Ų35.666%0.66419%0.194SC*.  trans-60.1144176.8-65.2-65.6169.800111.5A90 S91 I92E88-A90 PolarHBondContact O-N 3.07Å; E88-A90 VanDerWaalsContact O-N 3.12Å; E88-S91 WeakPolarHBondContact O-CA 3.48Å; E88-S91 WeakPolarHBondContact O-CB 3.45Å; E88-S91 PolarHBondContact O-N 2.84Å; E88-I92 PolarHBondContact O-N 3.18Å
89D98.7Very high98.8Very high60 Ų6035.6 Ų35.632%0.32119%0.194SC..Hα-helixtrans-54.4-35.9179.3-747.3000112.7S91 I92 K93 R119 M126D89-S91 VanDerWaalsContact C-N 3.34Å; D89-I92 PolarHBondContact O-N 3.07Å; D89-K93 WeakPolarHBondContact O-CB 3.18Å; D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.27Å; D89-K93 PolarHBondContact O-N 3.49Å; D89-R119 IonicContact OD1-CZ 3.08Å; D89-R119 VanDerWaalsContact OD1-CZ 3.27Å; D89-R119 IonicContact OD1-NH1 2.75Å; D89-R119 PolarHBondContact OD1-NH1 3.08Å; D89-R119 IonicContact OD1-NH2 3.2Å; D89-R119 PolarHBondContact OD1-NH2 3.24Å; D89-M126 HydrophobicContact CB-CE 3.95Å; D89-M126 WeakPolarHBondContact OD2-CE 3.36Å
90A98.6Very high98.8Very high77 Ų7737.1 Ų37.164%0.63620%0.2SC*.Hα-helixtrans-62.3-42.1176.800000111.6E88 A94E88-A90 PolarHBondContact O-N 3.07Å; E88-A90 VanDerWaalsContact O-N 3.12Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.34Å
91S98.8Very high98.7Very high19 Ų1944.1 Ų44.113%0.13323%0.23CC..Hα-helixtrans-65.6-45.6176-59.90000111.1A66 E88 D89 K93 A94 A95A66-S91 WeakPolarHBondContact CB-O 3.5Å; E88-S91 WeakPolarHBondContact O-CA 3.48Å; E88-S91 WeakPolarHBondContact O-CB 3.45Å; E88-S91 PolarHBondContact O-N 2.84Å; D89-S91 VanDerWaalsContact C-N 3.34Å; S91-K93 PolarHBondContact O-N 3.34Å; S91-A94 PolarHBondContact O-N 2.99Å; S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.17Å
92I98.9Very high98.7Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-63.2-45.5-179.7-60.8-176.1000111.5I83 A87 E88 D89 A94 A95 I96 V108 R119 L123 M126I83-I92 HydrophobicContact CD1-CG1 3.98Å; I83-I92 HydrophobicContact CG1-CG1 4.37Å; A87-I92 HydrophobicContact CB-CD1 4.43Å; A87-I92 HydrophobicContact CB-CG1 4.12Å; E88-I92 PolarHBondContact O-N 3.18Å; D89-I92 PolarHBondContact O-N 3.07Å; I92-A94 PolarHBondContact O-N 3.09Å; I92-A95 PolarHBondContact O-N 2.93Å; I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.96Å; I92-V108 HydrophobicContact CD1-CG1 4.48Å; I92-V108 HydrophobicContact CG2-CG2 4.36Å; I92-R119 VanDerWaalsContact CD1-NH2 3.27Å; I92-L123 HydrophobicContact CD1-CD2 3.53Å; I92-L123 HydrophobicContact CG2-CD2 3.83Å; I92-M126 HydrophobicContact CB-SD 4.45Å; I92-M126 HydrophobicContact CG2-SD 4.15Å
93K98.8Very high98.7Very high97 Ų9754.1 Ų54.142%0.42228%0.283SS..Hα-helixtrans-60.9-45.1176.3-71.9169.1-176.8170.20111.9D89 S91 A95 I96 E97 M126D89-K93 WeakPolarHBondContact O-CB 3.18Å; D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.27Å; D89-K93 PolarHBondContact O-N 3.49Å; S91-K93 PolarHBondContact O-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.75Å; K93-I96 PolarHBondContact O-N 2.96Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 3.07Å; K93-M126 HydrophobicContact CG-CG 4.21Å; K93-M126 HydrophobicContact CG-SD 4.12Å
94A98.8Very high98.7Very high28 Ų2856.6 Ų56.623%0.23129%0.294CS..Hα-helixtrans-62.1-39177.200000112.5D67 A90 S91 I92 E98D67-A94 HydrophobicContact CB-CB 4.32Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.34Å; S91-A94 PolarHBondContact O-N 2.99Å; I92-A94 PolarHBondContact O-N 3.09Å; A94-E98 WeakPolarHBondContact O-CB 3.17Å; A94-E98 PolarHBondContact O-N 3.32Å
95A98.9Very high98.7Very high0 Ų057.3 Ų57.30%030%0.297CS..Hα-helixtrans-64.2-44.5174.900000112.3A66 V70 I83 S91 I92 K93 A99 L106A66-A95 HydrophobicContact CB-CB 3.94Å; V70-A95 HydrophobicContact CG2-CB 3.84Å; I83-A95 HydrophobicContact CD1-CB 3.8Å; S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.17Å; I92-A95 PolarHBondContact O-N 2.93Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.75Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.26Å; A95-L106 HydrophobicContact CB-CD1 3.8Å; A95-L106 HydrophobicContact CB-CD2 3.55Å; A95-L106 HydrophobicContact CB-CG 4.35Å
96I98.9Very high98.7Very high9 Ų957.3 Ų57.35%0.04630%0.297CS..Hα-helixtrans-60.8-50.5177.7-68.7169000109.3I92 K93 E98 A99 H100 L106 M126 A128I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.96Å; K93-I96 PolarHBondContact O-N 2.96Å; I96-E98 PolarHBondContact O-N 2.87Å; I96-A99 PolarHBondContact O-N 3.27Å; I96-H100 VanDerWaalsContact CG2-CE1 3.44Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.47Å; I96-H100 WeakPolarHBondContact O-CB 3.32Å; I96-H100 VanDerWaalsContact O-CG 3.27Å; I96-H100 PolarHBondContact O-N 3.07Å; I96-L106 HydrophobicContact CB-CD2 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.46Å; I96-L106 VanDerWaalsContact CG1-CD2 3.46Å; I96-M126 HydrophobicContact CD1-CB 3.89Å; I96-M126 WeakPolarHBondContact CD1-O 3.26Å; I96-A128 HydrophobicContact CD1-CB 4.25Å
97E98.8Very high98.7Very high137 Ų13754.4 Ų54.464%0.6428%0.279SS*.Hα-helixtrans-58.6-46.9-179.7-73.9176.8-170.500112.1K93 K101K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 3.07Å; E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.43Å
98E98.9Very high98.8Very high31 Ų3154.3 Ų54.315%0.14528%0.278CS..Hα-helixtrans-70.3-37.1-179.2-171.661.1-153.400112.2D67 V70 A94 I96 K101 N102D67-E98 HydrophobicContact CB-CB 4.37Å; V70-E98 HydrophobicContact CB-CB 4.49Å; V70-E98 HydrophobicContact CB-CG 4.46Å; V70-E98 HydrophobicContact CG1-CB 4.17Å; V70-E98 HydrophobicContact CG1-CG 4.13Å; A94-E98 WeakPolarHBondContact O-CB 3.17Å; A94-E98 PolarHBondContact O-N 3.32Å; I96-E98 PolarHBondContact O-N 2.87Å; E98-K101 IonicContact OE1-NZ 2.72Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.2Å; E98-K101 PolarHBondContact OE2-NZ 2.95Å; E98-N102 PolarHBondContact O-N 2.82Å; E98-N102 PolarHBondContact O-ND2 3.44Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å
99A98.9Very high98.8Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-61.8-51.9173.800000111V70 A95 I96 K101 N102 N103 K104 L106V70-A99 HydrophobicContact CG1-CB 4.15Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.26Å; I96-A99 PolarHBondContact O-N 3.27Å; A99-K101 PolarHBondContact O-N 3.14Å; A99-N102 CarbonylContact O-C 3.44Å; A99-N102 PolarHBondContact O-N 3.22Å; A99-N102 VanDerWaalsContact O-N 3.07Å; A99-N103 PolarHBondContact O-N 3.27Å; A99-K104 CarbonylContact C-O 3.59Å; A99-K104 PolarHBondContact O-N 3.01Å; A99-L106 HydrophobicContact CB-CB 4.31Å
100H98.8Very high98.8Very high79 Ų7945.1 Ų45.137%0.36623%0.234SC..Hα-helixtrans-64.9-39.2-177.4-69.6-176.4000112.4I96 N102 N103 G127 D129I96-H100 VanDerWaalsContact CG2-CE1 3.44Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.47Å; I96-H100 WeakPolarHBondContact O-CB 3.32Å; I96-H100 VanDerWaalsContact O-CG 3.27Å; I96-H100 PolarHBondContact O-N 3.07Å; H100-N102 PolarHBondContact O-N 3.23Å; H100-N102 VanDerWaalsContact O-N 3.14Å; H100-N103 PolarHBondContact O-N 3.1Å; H100-G127 PolarHBondContact CE1-O 3.03Å; H100-D129 IonicContact CD2-OD2 3.91Å; H100-D129 IonicContact CE1-OD2 2.83Å; H100-D129 IonicContact NE2-OD1 2.89Å; H100-D129 IonicContact NE2-OD2 3.66Å; H100-D129 PolarHBondContact NE2-OD2 3.19Å
101K98.5Very high98.7Very high147 Ų14743.5 Ų43.564%0.63921%0.214SC*.Hα-helixtrans-56.2-28.7174172.5177.2149.8-140.70112.9E97 E98 A99E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.43Å; E98-K101 IonicContact OE1-NZ 2.72Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.2Å; E98-K101 PolarHBondContact OE2-NZ 2.95Å; A99-K101 PolarHBondContact O-N 3.14Å
102N98.6Very high98.5Very high61 Ų6146 Ų4633%0.32624%0.235SC..THydrogen-bonded Turntrans-101.111.2177.9-69.9-80.3000113.2I74 E98 A99 H100 K104I74-N102 HydrophobicContact CD1-CB 3.8Å; I74-N102 HydrophobicContact CG2-CB 4.12Å; E98-N102 PolarHBondContact O-N 2.82Å; E98-N102 PolarHBondContact O-ND2 3.44Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å; A99-N102 CarbonylContact O-C 3.44Å; A99-N102 PolarHBondContact O-N 3.22Å; A99-N102 VanDerWaalsContact O-N 3.07Å; H100-N102 PolarHBondContact O-N 3.23Å; H100-N102 VanDerWaalsContact O-N 3.14Å; N102-K104 HydrophobicContact CB-CG 4.2Å; N102-K104 PolarHBondContact O-N 2.87Å
103N98.6Very high98.5Very high152 Ų15246.9 Ų46.981%0.81324%0.241SC*.THydrogen-bonded Turntrans56.134.1-174.4-53.2-72000113.4A99 H100A99-N103 PolarHBondContact O-N 3.27Å; H100-N103 PolarHBondContact O-N 3.1Å
104K98.8Very high98.3Very high52 Ų5250.9 Ų50.923%0.22626%0.261CS..  trans-110170.3175.3-56.9-45.3-158.8171.40110.1I74 A78 D79 I81 A99 N102I74-K104 HydrophobicContact CD1-CB 3.97Å; I74-K104 HydrophobicContact CD1-CG 3.8Å; I74-K104 HydrophobicContact CG1-CB 4.31Å; I74-K104 HydrophobicContact CG1-CG 3.9Å; I74-K104 HydrophobicContact CG2-CG 4.15Å; A78-K104 WeakPolarHBondContact O-CE 3.32Å; D79-K104 IonicContact OD1-NZ 3.59Å; D79-K104 PolarHBondContact OD1-NZ 3.02Å; I81-K104 HydrophobicContact CD1-CB 4.26Å; A99-K104 CarbonylContact C-O 3.59Å; A99-K104 PolarHBondContact O-N 3.01Å; N102-K104 HydrophobicContact CB-CG 4.2Å; N102-K104 PolarHBondContact O-N 2.87Å
105Q98.9Very high98.3Very high45 Ų4553.7 Ų53.721%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-115.3148.1-174.3-51.8-164.4-88.200111.3D79 V80 I81 D129 Y130D79-Q105 PolarHBondContact O-N 2.83Å; V80-Q105 WeakPolarHBondContact CA-O 3.31Å; V80-Q105 HydrophobicContact CG1-CB 4.38Å; V80-Q105 HydrophobicContact CG2-CB 4.3Å; I81-Q105 PolarHBondContact N-O 3.33Å; I81-Q105 VanDerWaalsContact N-O 3.1Å; Q105-D129 WeakPolarHBondContact CA-OD2 3.25Å; Q105-D129 HydrophobicContact CB-CB 3.91Å; Q105-D129 PolarHBondContact NE2-OD1 2.76Å; Q105-Y130 HydrophobicContact CB-CE2 4.27Å
106L98.9Very high98.2Very high0 Ų055.2 Ų55.20%028%0.28CS..EExtended strand (participates in β ladder)trans-109130.5173.8-165.876.9000111.1V70 I81 I83 A95 I96 A99 V108 D129 Y130V70-L106 HydrophobicContact CG2-CD1 4.13Å; I81-L106 HydrophobicContact CB-CD1 4.36Å; I81-L106 WeakPolarHBondContact O-CD1 3.29Å; I83-L106 HydrophobicContact CB-CD1 4.45Å; I83-L106 HydrophobicContact CG2-CD1 4.16Å; I83-L106 HydrophobicContact CG2-CD2 3.66Å; I83-L106 HydrophobicContact CG2-CG 3.95Å; A95-L106 HydrophobicContact CB-CD1 3.8Å; A95-L106 HydrophobicContact CB-CD2 3.55Å; A95-L106 HydrophobicContact CB-CG 4.35Å; I96-L106 HydrophobicContact CB-CD2 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.46Å; I96-L106 VanDerWaalsContact CG1-CD2 3.46Å; A99-L106 HydrophobicContact CB-CB 4.31Å; L106-V108 HydrophobicContact CD2-CG2 4.35Å; L106-D129 PolarHBondContact N-OD2 2.91Å; L106-D129 WeakPolarHBondContact O-CB 3.2Å; L106-D129 PolarHBondContact O-N 2.57Å; L106-Y130 PolarHBondContact O-N 3.22Å; L106-Y130 VanDerWaalsContact O-N 3.09Å
107L98.9Very high98.2Very high5 Ų559 Ų593%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-104.8122.2169.5-177.1154.7000109.4L57 V80 I81 T82 I83 D109 Y130 A132 A163 L183 I185L57-L107 HydrophobicContact CD1-CD1 4.1Å; V80-L107 HydrophobicContact CG1-CB 3.98Å; I81-L107 PolarHBondContact O-N 3.2Å; T82-L107 VanDerWaalsContact CA-O 3.27Å; T82-L107 WeakPolarHBondContact CA-O 3.48Å; T82-L107 HydrophobicContact CG2-CB 4.37Å; T82-L107 HydrophobicContact CG2-CD2 3.96Å; I83-L107 PolarHBondContact N-O 2.86Å; L107-D109 HydrophobicContact CD2-CB 4.33Å; L107-Y130 WeakPolarHBondContact CA-O 3.43Å; L107-Y130 HydrophobicContact CD1-CG 4.45Å; L107-A132 HydrophobicContact CD1-CB 4.23Å; L107-A132 HydrophobicContact CD2-CB 3.58Å; L107-A132 HydrophobicContact CG-CB 4.03Å; L107-A163 HydrophobicContact CD1-CB 4.37Å; L107-L183 HydrophobicContact CD1-CD2 4.21Å; L107-I185 HydrophobicContact CD1-CD1 4.24Å
108V98.9Very high98.2Very high0 Ų058.1 Ų58.10%029%0.292CS..EExtended strand (participates in β ladder)trans-93.9112.8174.7-172.80000109.1I83 I92 L106 L123 A128 Y130 A132I83-V108 HydrophobicContact CG2-CB 4.31Å; I83-V108 HydrophobicContact CG2-CG1 4.3Å; I83-V108 HydrophobicContact CG2-CG2 3.81Å; I83-V108 CarbonylContact O-C 3.56Å; I83-V108 WeakPolarHBondContact O-CA 3.36Å; I92-V108 HydrophobicContact CD1-CG1 4.48Å; I92-V108 HydrophobicContact CG2-CG2 4.36Å; L106-V108 HydrophobicContact CD2-CG2 4.35Å; V108-L123 HydrophobicContact CB-CD1 4.15Å; V108-L123 HydrophobicContact CG1-CD1 3.53Å; V108-L123 HydrophobicContact CG1-CD2 3.9Å; V108-L123 HydrophobicContact CG1-CG 4.32Å; V108-L123 HydrophobicContact CG2-CD2 4.28Å; V108-A128 HydrophobicContact CG2-CB 3.7Å; V108-Y130 PolarHBondContact N-O 3.06Å; V108-A132 PolarHBondContact O-N 2.88Å
109D98.8Very high98.2Very high6 Ų657.9 Ų57.93%0.03229%0.289CS..EExtended strand (participates in β ladder)trans-82.7112.8179-175.8-9.1000110.2K61 I83 L84 G85 L107 I111 H134K61-D109 IonicContact NZ-OD2 2.88Å; I83-D109 PolarHBondContact O-N 3.06Å; L84-D109 HydrophobicContact CD2-CB 4.45Å; G85-D109 PolarHBondContact N-O 2.83Å; L107-D109 HydrophobicContact CD2-CB 4.33Å; D109-I111 PolarHBondContact O-N 2.77Å; D109-I111 VanDerWaalsContact OD1-CB 3.32Å; D109-I111 WeakPolarHBondContact OD1-CB 3.37Å; D109-I111 WeakPolarHBondContact OD1-CG2 3.47Å; D109-I111 PolarHBondContact OD1-N 2.77Å; D109-H134 WeakPolarHBondContact OD1-CB 3.38Å; D109-H134 IonicContact OD1-CG 2.84Å; D109-H134 IonicContact OD1-ND1 2.57Å; D109-H134 PolarHBondContact OD1-ND1 2.62Å; D109-H134 IonicContact OD2-CE1 2.77Å; D109-H134 IonicContact OD2-CG 3.37Å; D109-H134 IonicContact OD2-ND1 2.69Å; D109-H134 PolarHBondContact OD2-ND1 2.73Å
110M98.4Very high98.2Very high3 Ų357.9 Ų57.92%0.01529%0.289CS..  trans-80.912-177.7-58.6-71.6-77.300113.4A112 V113 L116 R119 A120 L123 I131 A132M110-A112 PolarHBondContact O-N 3.16Å; M110-V113 HydrophobicContact CB-CB 4.48Å; M110-V113 HydrophobicContact CB-CG2 4.24Å; M110-V113 HydrophobicContact CE-CB 4.25Å; M110-V113 HydrophobicContact CE-CG1 3.89Å; M110-V113 HydrophobicContact CE-CG2 4.24Å; M110-V113 WeakPolarHBondContact O-CB 3.28Å; M110-V113 WeakPolarHBondContact O-CG2 3.5Å; M110-V113 PolarHBondContact O-N 2.86Å; M110-V113 VanDerWaalsContact O-N 3.11Å; M110-V113 HydrophobicContact SD-CG2 4.11Å; M110-L116 HydrophobicContact CB-CD2 4.12Å; M110-L116 HydrophobicContact CE-CD2 3.99Å; M110-R119 HydrophobicContact CE-CB 3.86Å; M110-R119 HydrophobicContact CE-CG 3.92Å; M110-R119 HydrophobicContact SD-CG 4.25Å; M110-A120 HydrophobicContact CE-CB 4.27Å; M110-L123 HydrophobicContact CE-CD1 4.2Å; M110-L123 HydrophobicContact SD-CD1 3.28Å; M110-L123 WeakPolarHBondContact SD-CD1 3.37Å; M110-I131 HydrophobicContact CG-CG2 3.72Å; M110-I131 HydrophobicContact SD-CG2 4Å; M110-A132 WeakPolarHBondContact CB-O 3.45Å; M110-A132 VanDerWaalsContact CG-O 3.23Å; M110-A132 WeakPolarHBondContact CG-O 3.32Å; M110-A132 PolarHBondContact N-O 3.36Å
111I96.9Very high98.1Very high42 Ų4258.4 Ų58.422%0.21529%0.291CS..THydrogen-bonded Turntrans-50.1133.2174.1-167.8168.4000111L84 D109 V113 H134L84-I111 HydrophobicContact CD2-CG2 3.43Å; L84-I111 VanDerWaalsContact CD2-CG2 3.43Å; D109-I111 PolarHBondContact O-N 2.77Å; D109-I111 VanDerWaalsContact OD1-CB 3.32Å; D109-I111 WeakPolarHBondContact OD1-CB 3.37Å; D109-I111 WeakPolarHBondContact OD1-CG2 3.47Å; D109-I111 PolarHBondContact OD1-N 2.77Å; I111-V113 PolarHBondContact O-N 2.84Å; I111-H134 HydrophobicContact CB-CB 4.11Å
112A95.6Very high98.2Very high71 Ų7154 Ų5459%0.58727%0.273SS*.THydrogen-bonded Turntrans60.17.7-179.300000116.6M110 Q114M110-A112 PolarHBondContact O-N 3.16Å; A112-Q114 PolarHBondContact O-N 2.95Å; A112-Q114 PolarHBondContact O-NE2 2.79Å
113V97.7Very high98.2Very high20 Ų2051.1 Ų51.112%0.12126%0.257CS..  trans-66.3125.5171.41730000109.7V86 M110 I111 L116 R119V86-V113 HydrophobicContact CG1-CG2 3.72Å; M110-V113 HydrophobicContact CB-CB 4.48Å; M110-V113 HydrophobicContact CB-CG2 4.24Å; M110-V113 HydrophobicContact CE-CB 4.25Å; M110-V113 HydrophobicContact CE-CG1 3.89Å; M110-V113 HydrophobicContact CE-CG2 4.24Å; M110-V113 WeakPolarHBondContact O-CB 3.28Å; M110-V113 WeakPolarHBondContact O-CG2 3.5Å; M110-V113 PolarHBondContact O-N 2.86Å; M110-V113 VanDerWaalsContact O-N 3.11Å; M110-V113 HydrophobicContact SD-CG2 4.11Å; I111-V113 PolarHBondContact O-N 2.84Å; V113-L116 HydrophobicContact CB-CD2 4.02Å; V113-L116 HydrophobicContact CG1-CD2 4.1Å; V113-R119 HydrophobicContact CG1-CB 3.64Å; V113-R119 HydrophobicContact CG1-CG 3.9Å; V113-R119 HydrophobicContact CG2-CG 4.38Å
114Q95.2Very high98.2Very high181 Ų18144.3 Ų44.385%0.84622%0.221SC*.SBendtrans-79.9-44-174.4-57.5-60.9-63.600113A112A112-Q114 PolarHBondContact O-N 2.95Å; A112-Q114 PolarHBondContact O-NE2 2.79Å
115D97.7Very high98.1Very high87 Ų8749.5 Ų49.547%0.46525%0.246SC..  trans-108.386.9177.4-173.7-17.7000109.5E117 K118 R119D115-E117 PolarHBondContact OD1-N 3.38Å; D115-K118 HydrophobicContact CB-CB 4.2Å; D115-K118 VanDerWaalsContact OD1-CB 3.29Å; D115-K118 WeakPolarHBondContact OD1-CB 3.42Å; D115-K118 PolarHBondContact OD1-N 3.12Å; D115-K118 VanDerWaalsContact OD2-CB 3.28Å; D115-K118 WeakPolarHBondContact OD2-CB 3.06Å; D115-R119 VanDerWaalsContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CB 3.18Å; D115-R119 PolarHBondContact O-N 2.86Å
116L97.9Very high98.1Very high31 Ų3149.1 Ų49.116%0.16224%0.244CC..Hα-helixtrans-62.2-42.7-176.2-70.1175.6000112.3M110 V113 A120 T152 V153M110-L116 HydrophobicContact CB-CD2 4.12Å; M110-L116 HydrophobicContact CE-CD2 3.99Å; V113-L116 HydrophobicContact CB-CD2 4.02Å; V113-L116 HydrophobicContact CG1-CD2 4.1Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.26Å; L116-T152 HydrophobicContact CB-CG2 4.13Å; L116-V153 HydrophobicContact CB-CG2 4.24Å
117E98.1Very high98.1Very high90 Ų9050.8 Ų50.842%0.42126%0.261SS..Hα-helixtrans-64.7-47.6-177.7-72.1-169.2-161.100111.7D115 K121 T152 V156D115-E117 PolarHBondContact OD1-N 3.38Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-T152 HydrophobicContact CG-CG2 3.41Å; E117-T152 VanDerWaalsContact CG-CG2 3.41Å; E117-V156 HydrophobicContact CB-CG1 4.25Å; E117-V156 HydrophobicContact CG-CG1 4.17Å
118K98.6Very high98.1Very high118 Ų11850.7 Ų50.751%0.51326%0.261SS..Hα-helixtrans-63.8-51.2179.9-179.9-176.9167.4-172.30110.3D115 A120 K121 E122D115-K118 HydrophobicContact CB-CB 4.2Å; D115-K118 VanDerWaalsContact OD1-CB 3.29Å; D115-K118 WeakPolarHBondContact OD1-CB 3.42Å; D115-K118 PolarHBondContact OD1-N 3.12Å; D115-K118 VanDerWaalsContact OD2-CB 3.28Å; D115-K118 WeakPolarHBondContact OD2-CB 3.06Å; K118-A120 PolarHBondContact O-N 3.1Å; K118-K121 PolarHBondContact O-N 3.07Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.92Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.49Å; K118-E122 VanDerWaalsContact O-N 3.13Å
119R98.8Very high98.1Very high25 Ų2552.4 Ų52.49%0.09427%0.27CS..Hα-helixtrans-67.3-38.1-174.4-171.954.1168.4174.5-2.5111.8G85 A87 D89 I92 M110 V113 D115 K121 E122 L123G85-R119 PolarHBondContact O-NE 3.38Å; G85-R119 PolarHBondContact O-NH2 2.76Å; A87-R119 PolarHBondContact O-NH2 3.29Å; D89-R119 IonicContact OD1-CZ 3.08Å; D89-R119 VanDerWaalsContact OD1-CZ 3.27Å; D89-R119 IonicContact OD1-NH1 2.75Å; D89-R119 PolarHBondContact OD1-NH1 3.08Å; D89-R119 IonicContact OD1-NH2 3.2Å; D89-R119 PolarHBondContact OD1-NH2 3.24Å; I92-R119 VanDerWaalsContact CD1-NH2 3.27Å; M110-R119 HydrophobicContact CE-CB 3.86Å; M110-R119 HydrophobicContact CE-CG 3.92Å; M110-R119 HydrophobicContact SD-CG 4.25Å; V113-R119 HydrophobicContact CG1-CB 3.64Å; V113-R119 HydrophobicContact CG1-CG 3.9Å; V113-R119 HydrophobicContact CG2-CG 4.38Å; D115-R119 VanDerWaalsContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CB 3.18Å; D115-R119 PolarHBondContact O-N 2.86Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.1Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.27Å; R119-E122 IonicContact CZ-OE2 3.26Å; R119-E122 IonicContact NH1-OE2 3.92Å; R119-E122 PolarHBondContact NH1-OE2 2.93Å; R119-E122 PolarHBondContact O-N 2.88Å; R119-L123 HydrophobicContact CG-CD1 3.96Å; R119-L123 HydrophobicContact CG-CG 4.32Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.15Å
120A98.7Very high98.1Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-59.2-42.5174.600000112.5M110 L116 K118 L123 D124 V153 V156 I157M110-A120 HydrophobicContact CE-CB 4.27Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.26Å; K118-A120 PolarHBondContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.47Å; A120-D124 WeakPolarHBondContact O-CB 3.48Å; A120-D124 PolarHBondContact O-N 2.97Å; A120-V153 HydrophobicContact CB-CB 4.47Å; A120-V153 HydrophobicContact CB-CG1 4.03Å; A120-V153 HydrophobicContact CB-CG2 4.13Å; A120-V156 HydrophobicContact CB-CG2 3.74Å; A120-I157 HydrophobicContact CB-CD1 3.84Å; A120-I157 HydrophobicContact CB-CG1 4.4Å; A120-I157 VanDerWaalsContact O-CD1 3.32Å; A120-I157 WeakPolarHBondContact O-CD1 3.43Å
121K98.5Very high98.1Very high90 Ų9052 Ų5239%0.39127%0.268SS..Hα-helixtrans-62.2-46.1175.7-70.9168.3-173.6160.70112E117 K118 R119 L123 D124 E125 V156E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.08Å; K118-K121 PolarHBondContact O-N 3.07Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.1Å; K121-L123 VanDerWaalsContact C-N 3.32Å; K121-L123 PolarHBondContact O-N 2.93Å; K121-D124 PolarHBondContact O-N 2.96Å; K121-E125 WeakPolarHBondContact O-CG 3.19Å; K121-E125 PolarHBondContact O-N 2.89Å; K121-V156 HydrophobicContact CD-CB 4.35Å; K121-V156 HydrophobicContact CG-CB 3.86Å; K121-V156 HydrophobicContact CG-CG2 4.16Å
122E98.7Very high98.2Very high56 Ų5650 Ų5026%0.26226%0.259SS..Hα-helixtrans-59.3-44.4178.5-69.6169.9170.600111.3K118 R119 E125 M126K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.92Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.49Å; K118-E122 VanDerWaalsContact O-N 3.13Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.27Å; R119-E122 IonicContact CZ-OE2 3.26Å; R119-E122 IonicContact NH1-OE2 3.92Å; R119-E122 PolarHBondContact NH1-OE2 2.93Å; R119-E122 PolarHBondContact O-N 2.88Å; E122-E125 PolarHBondContact O-N 2.9Å; E122-M126 HydrophobicContact CB-CE 4.2Å; E122-M126 VanDerWaalsContact O-CG 3.24Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.66Å
123L98.8Very high98.3Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-69-37.5179.7-64.8170000112.9I92 V108 M110 R119 A120 K121 E125 M126 G127 A128 I131I92-L123 HydrophobicContact CD1-CD2 3.53Å; I92-L123 HydrophobicContact CG2-CD2 3.83Å; V108-L123 HydrophobicContact CB-CD1 4.15Å; V108-L123 HydrophobicContact CG1-CD1 3.53Å; V108-L123 HydrophobicContact CG1-CD2 3.9Å; V108-L123 HydrophobicContact CG1-CG 4.32Å; V108-L123 HydrophobicContact CG2-CD2 4.28Å; M110-L123 HydrophobicContact CE-CD1 4.2Å; M110-L123 HydrophobicContact SD-CD1 3.28Å; M110-L123 WeakPolarHBondContact SD-CD1 3.37Å; R119-L123 HydrophobicContact CG-CD1 3.96Å; R119-L123 HydrophobicContact CG-CG 4.32Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.15Å; A120-L123 PolarHBondContact O-N 3.47Å; K121-L123 VanDerWaalsContact C-N 3.32Å; K121-L123 PolarHBondContact O-N 2.93Å; L123-E125 VanDerWaalsContact C-N 3.33Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 2.95Å; L123-G127 PolarHBondContact O-N 3Å; L123-A128 PolarHBondContact O-N 3.27Å; L123-I131 HydrophobicContact CB-CD1 3.59Å; L123-I131 HydrophobicContact CB-CG1 4.08Å
124D98.6Very high98.3Very high9 Ų947.7 Ų47.75%0.04823%0.234CC..Hα-helixtrans-62.7-41.7174.3-17040.5000110.9A120 K121 M126 G127 I131 I157 K158 N159 S160A120-D124 WeakPolarHBondContact O-CB 3.48Å; A120-D124 PolarHBondContact O-N 2.97Å; K121-D124 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact C-N 3.34Å; D124-G127 PolarHBondContact O-N 3.3Å; D124-I131 HydrophobicContact CB-CD1 4.28Å; D124-I157 HydrophobicContact CB-CD1 3.74Å; D124-K158 WeakPolarHBondContact OD2-CB 3.36Å; D124-K158 PolarHBondContact OD2-N 3.01Å; D124-N159 WeakPolarHBondContact OD1-CA 3.45Å; D124-N159 WeakPolarHBondContact OD1-CB 3.45Å; D124-N159 PolarHBondContact OD1-N 2.92Å; D124-N159 PolarHBondContact OD2-N 2.9Å; D124-N159 PolarHBondContact OD2-ND2 3.08Å; D124-S160 PolarHBondContact OD1-N 3.2Å; D124-S160 PolarHBondContact OD1-OG 3.26Å
125E98.5Very high98.3Very high161 Ų16139.5 Ų39.575%0.75220%0.197SC*.Hα-helixtrans-68.9-30.6175.3-72.1176-175.100113K121 E122 L123 G127K121-E125 WeakPolarHBondContact O-CG 3.19Å; K121-E125 PolarHBondContact O-N 2.89Å; E122-E125 PolarHBondContact O-N 2.9Å; L123-E125 VanDerWaalsContact C-N 3.33Å; E125-G127 PolarHBondContact O-N 3.35Å
126M98.6Very high97.8Very high37 Ų3735.8 Ų35.818%0.18218%0.179CC..Hα-helixtrans-72.8-15.6173.4-71176.1-156.100113.2D89 I92 K93 I96 E122 L123 D124D89-M126 HydrophobicContact CB-CE 3.95Å; D89-M126 WeakPolarHBondContact OD2-CE 3.36Å; I92-M126 HydrophobicContact CB-SD 4.45Å; I92-M126 HydrophobicContact CG2-SD 4.15Å; K93-M126 HydrophobicContact CG-CG 4.21Å; K93-M126 HydrophobicContact CG-SD 4.12Å; I96-M126 HydrophobicContact CD1-CB 3.89Å; I96-M126 WeakPolarHBondContact CD1-O 3.26Å; E122-M126 HydrophobicContact CB-CE 4.2Å; E122-M126 VanDerWaalsContact O-CG 3.24Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.66Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 2.95Å; D124-M126 VanDerWaalsContact C-N 3.34Å
127G98.2Very high97.2Very high34 Ų3439.8 Ų39.835%0.35119%0.193SC..THydrogen-bonded Turntrans85.63117800000114.5H100 L123 D124 E125H100-G127 PolarHBondContact CE1-O 3.03Å; L123-G127 PolarHBondContact O-N 3Å; D124-G127 PolarHBondContact O-N 3.3Å; E125-G127 PolarHBondContact O-N 3.35Å
128A98.5Very high96.6Very high4 Ų442 Ų423%0.03321%0.207CC..  trans-57.9140170.400000111I96 V108 L123 I131 S160I96-A128 HydrophobicContact CD1-CB 4.25Å; V108-A128 HydrophobicContact CG2-CB 3.7Å; L123-A128 PolarHBondContact O-N 3.27Å; A128-I131 HydrophobicContact CB-CD1 4.47Å; A128-I131 HydrophobicContact CB-CG1 4.1Å; A128-S160 VanDerWaalsContact O-CB 3.29Å; A128-S160 WeakPolarHBondContact O-CB 3.15Å; A128-S160 PolarHBondContact O-OG 2.8Å
129D98.8Very high96Very high35 Ų3539.8 Ų39.819%0.18720%0.201CC..SBendtrans-71.8-47.4178.2-62.3-99.3000111.6H100 Q105 L106 K161H100-D129 IonicContact CD2-OD2 3.91Å; H100-D129 IonicContact CE1-OD2 2.83Å; H100-D129 IonicContact NE2-OD1 2.89Å; H100-D129 IonicContact NE2-OD2 3.66Å; H100-D129 PolarHBondContact NE2-OD2 3.19Å; Q105-D129 WeakPolarHBondContact CA-OD2 3.25Å; Q105-D129 HydrophobicContact CB-CB 3.91Å; Q105-D129 PolarHBondContact NE2-OD1 2.76Å; L106-D129 PolarHBondContact N-OD2 2.91Å; L106-D129 WeakPolarHBondContact O-CB 3.2Å; L106-D129 PolarHBondContact O-N 2.57Å; D129-K161 WeakPolarHBondContact O-CB 3.49Å; D129-K161 PolarHBondContact O-N 2.69Å
130Y98.9Very high95.5Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-125.4137.1178.2-63-94.2000110.4E2 K55 Q105 L106 L107 V108 K161 L183E2-Y130 PolarHBondContact OE2-OH 2.92Å; K55-Y130 PolarHBondContact NZ-OH 2.92Å; Q105-Y130 HydrophobicContact CB-CE2 4.27Å; L106-Y130 PolarHBondContact O-N 3.22Å; L106-Y130 VanDerWaalsContact O-N 3.09Å; L107-Y130 WeakPolarHBondContact CA-O 3.43Å; L107-Y130 HydrophobicContact CD1-CG 4.45Å; V108-Y130 PolarHBondContact N-O 3.06Å; Y130-K161 CarbonylContact C-O 3.57Å; Y130-K161 VanDerWaalsContact CA-O 3.32Å; Y130-K161 WeakPolarHBondContact CA-O 3.34Å; Y130-K161 HydrophobicContact CD1-CB 3.56Å; Y130-K161 HydrophobicContact CD1-CD 3.92Å; Y130-K161 HydrophobicContact CD1-CG 4.43Å; Y130-K161 HydrophobicContact CE1-CB 3.82Å; Y130-K161 HydrophobicContact CE1-CD 3.31Å; Y130-K161 HydrophobicContact CE1-CG 4.25Å; Y130-K161 HydrophobicContact CE2-CD 4.35Å; Y130-K161 HydrophobicContact CG-CB 4.25Å; Y130-K161 PolarHBondContact OH-NZ 3.24Å; Y130-L183 HydrophobicContact CD1-CB 4.25Å; Y130-L183 HydrophobicContact CD1-CD2 3.85Å; Y130-L183 HydrophobicContact CE1-CB 4.1Å; Y130-L183 HydrophobicContact CE1-CD2 3.84Å
131I98.8Very high94.7Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-117.3112.5168.7-65.8167.9000106.9M110 L123 D124 A128 V153 I157 K161 A163M110-I131 HydrophobicContact CG-CG2 3.72Å; M110-I131 HydrophobicContact SD-CG2 4Å; L123-I131 HydrophobicContact CB-CD1 3.59Å; L123-I131 HydrophobicContact CB-CG1 4.08Å; D124-I131 HydrophobicContact CB-CD1 4.28Å; A128-I131 HydrophobicContact CB-CD1 4.47Å; A128-I131 HydrophobicContact CB-CG1 4.1Å; I131-V153 HydrophobicContact CG2-CG1 4.05Å; I131-I157 HydrophobicContact CD1-CD1 3.4Å; I131-I157 VanDerWaalsContact CD1-CD1 3.4Å; I131-K161 PolarHBondContact N-O 2.81Å; I131-A163 PolarHBondContact O-N 3.14Å
132A98.7Very high94.2Very high2 Ų247.7 Ų47.72%0.01726%0.256CS..EExtended strand (participates in β ladder)trans-103.7120.5-172.500000111.2L107 V108 M110 A163L107-A132 HydrophobicContact CD1-CB 4.23Å; L107-A132 HydrophobicContact CD2-CB 3.58Å; L107-A132 HydrophobicContact CG-CB 4.03Å; V108-A132 PolarHBondContact O-N 2.88Å; M110-A132 WeakPolarHBondContact CB-O 3.45Å; M110-A132 VanDerWaalsContact CG-O 3.23Å; M110-A132 WeakPolarHBondContact CG-O 3.32Å; M110-A132 PolarHBondContact N-O 3.36Å; A132-A163 WeakPolarHBondContact CA-O 3.5Å; A132-A163 HydrophobicContact CB-CB 3.73Å
133V98.3Very high93.5Very high1 Ų148.1 Ų48.11%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-77.4134.4163.8-63.80000109.3P146 L150 V153 A163 V164 A165V133-P146 HydrophobicContact CG2-CB 4.43Å; V133-L150 HydrophobicContact CG2-CB 3.91Å; V133-L150 HydrophobicContact CG2-CD1 4.32Å; V133-V153 HydrophobicContact CG1-CB 3.83Å; V133-V153 HydrophobicContact CG1-CG1 4.41Å; V133-V153 HydrophobicContact CG1-CG2 3.38Å; V133-A163 PolarHBondContact N-O 2.76Å; V133-V164 HydrophobicContact CG2-CB 3.96Å; V133-V164 HydrophobicContact CG2-CG2 3.83Å; V133-V164 WeakPolarHBondContact O-CA 3.41Å; V133-A165 PolarHBondContact O-N 3.04Å
134H97.7Very high92.9Very high41 Ų4152.4 Ų52.419%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-140.6112.4-172.6-174.1-178.6000111.1D109 I111 A165D109-H134 WeakPolarHBondContact OD1-CB 3.38Å; D109-H134 IonicContact OD1-CG 2.84Å; D109-H134 IonicContact OD1-ND1 2.57Å; D109-H134 PolarHBondContact OD1-ND1 2.62Å; D109-H134 IonicContact OD2-CE1 2.77Å; D109-H134 IonicContact OD2-CG 3.37Å; D109-H134 IonicContact OD2-ND1 2.69Å; D109-H134 PolarHBondContact OD2-ND1 2.73Å; I111-H134 HydrophobicContact CB-CB 4.11Å; H134-A165 WeakPolarHBondContact CA-O 3.48Å; H134-A165 HydrophobicContact CB-CB 4.34Å
135T93.9Very high92.5Very high9 Ų955.4 Ų55.46%0.05532%0.317CS..  trans-85.1110.8166.2-56.50000108.6L139 Q140 Q144 P146 A165 G166T135-L139 HydrophobicContact CG2-CB 3.78Å; T135-Q140 HydrophobicContact CG2-CG 3.97Å; T135-Q140 PolarHBondContact O-NE2 3.4Å; T135-Q144 HydrophobicContact CG2-CB 3.84Å; T135-P146 WeakPolarHBondContact OG1-CA 3.43Å; T135-A165 PolarHBondContact N-O 3.3Å; T135-A165 VanDerWaalsContact N-O 3.16Å; T135-G166 WeakPolarHBondContact O-CA 3.31Å
136G88.5Confident92.2Very high9 Ų947.9 Ų47.99%0.09328%0.282CS..  trans-63.8160.2-178.600000113.7D138 L139 Q140G136-D138 VanDerWaalsContact C-N 3.27Å; G136-D138 PolarHBondContact O-N 2.87Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-L139 VanDerWaalsContact O-N 3.09Å; G136-Q140 WeakPolarHBondContact O-CG 3.28Å; G136-Q140 PolarHBondContact O-N 3.12Å
137Y84.5Confident91.9Very high115 Ų11547.7 Ų47.745%0.45128%0.282SS..Hα-helixtrans-51.1-41.6-177.1-90.6-82.4000113.9D8 L139 Q140 A141D8-Y137 PolarHBondContact OD2-OH 3.45Å; Y137-L139 PolarHBondContact O-N 3.29Å; Y137-Q140 WeakPolarHBondContact O-CB 3.27Å; Y137-Q140 PolarHBondContact O-N 2.77Å; Y137-A141 PolarHBondContact O-N 3Å; Y137-A141 VanDerWaalsContact O-N 3.16Å
138D85Confident91.8Very high136 Ų13653.3 Ų53.373%0.72730%0.299SS*.Hα-helixtrans-63.6-42.8-179.2-53.6-61.9000111.7G136 A141G136-D138 VanDerWaalsContact C-N 3.27Å; G136-D138 PolarHBondContact O-N 2.87Å; D138-A141 WeakPolarHBondContact O-CB 3.37Å; D138-A141 PolarHBondContact O-N 3.04Å
139L87.3Confident91.7Very high72 Ų7254.8 Ų54.838%0.37731%0.309SS..Hα-helixtrans-73.9-30.6179.3-58.2-177.3000112.1T135 G136 Y137 A141 E142 G143 Q144T135-L139 HydrophobicContact CG2-CB 3.78Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-L139 VanDerWaalsContact O-N 3.09Å; Y137-L139 PolarHBondContact O-N 3.29Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.69Å; L139-E142 WeakPolarHBondContact O-CB 3.36Å; L139-E142 PolarHBondContact O-N 2.97Å; L139-G143 PolarHBondContact O-N 3.27Å; L139-Q144 HydrophobicContact CB-CB 4.18Å; L139-Q144 HydrophobicContact CB-CG 4.26Å; L139-Q144 VanDerWaalsContact O-CB 3.31Å; L139-Q144 WeakPolarHBondContact O-CB 3.43Å; L139-Q144 WeakPolarHBondContact O-CG 3.45Å; L139-Q144 PolarHBondContact O-N 2.96Å; L139-Q144 VanDerWaalsContact O-N 3.07Å
140Q87Confident91.7Very high46 Ų4653.1 Ų53.122%0.21530%0.3CS..Hα-helixtrans-63.1-37.9172.6-66.4169.54100111.5T135 G136 Y137 E142 G143 G167T135-Q140 HydrophobicContact CG2-CG 3.97Å; T135-Q140 PolarHBondContact O-NE2 3.4Å; G136-Q140 WeakPolarHBondContact O-CG 3.28Å; G136-Q140 PolarHBondContact O-N 3.12Å; Y137-Q140 WeakPolarHBondContact O-CB 3.27Å; Y137-Q140 PolarHBondContact O-N 2.77Å; Q140-E142 PolarHBondContact O-N 3.1Å; Q140-G143 WeakPolarHBondContact O-CA 3.41Å; Q140-G143 PolarHBondContact O-N 2.93Å; Q140-G167 VanDerWaalsContact OE1-CA 3.28Å
141A82.8Confident91.6Very high94 Ų9459 Ų5978%0.77732%0.322SS*.Hα-helixtrans-64.1-24.6176.200000112.6Y137 D138 L139 G143Y137-A141 PolarHBondContact O-N 3Å; Y137-A141 VanDerWaalsContact O-N 3.16Å; D138-A141 WeakPolarHBondContact O-CB 3.37Å; D138-A141 PolarHBondContact O-N 3.04Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.69Å; A141-G143 VanDerWaalsContact C-N 3.29Å
142E87.9Confident91.5Very high140 Ų14060.7 Ų60.765%0.65433%0.333SS*.THydrogen-bonded Turntrans-84.50.8172.3-60.1179.8179.100113.4L139 Q140 Q144L139-E142 WeakPolarHBondContact O-CB 3.36Å; L139-E142 PolarHBondContact O-N 2.97Å; Q140-E142 PolarHBondContact O-N 3.1Å; E142-Q144 PolarHBondContact OE2-NE2 2.77Å
143G84Confident91.5Very high66 Ų6660.6 Ų60.668%0.6833%0.332SS*.THydrogen-bonded Turntrans84.513.4179.200000114.6L139 Q140 A141L139-G143 PolarHBondContact O-N 3.27Å; Q140-G143 WeakPolarHBondContact O-CA 3.41Å; Q140-G143 PolarHBondContact O-N 2.93Å; A141-G143 VanDerWaalsContact C-N 3.29Å
144Q87.3Confident91.5Very high90 Ų9064 Ų6442%0.42135%0.347SS..  trans-71.6145.8175.7-58.3-169.525.200111.4T135 L139 E142T135-Q144 HydrophobicContact CG2-CB 3.84Å; L139-Q144 HydrophobicContact CB-CB 4.18Å; L139-Q144 HydrophobicContact CB-CG 4.26Å; L139-Q144 VanDerWaalsContact O-CB 3.31Å; L139-Q144 WeakPolarHBondContact O-CB 3.43Å; L139-Q144 WeakPolarHBondContact O-CG 3.45Å; L139-Q144 PolarHBondContact O-N 2.96Å; L139-Q144 VanDerWaalsContact O-N 3.07Å; E142-Q144 PolarHBondContact OE2-NE2 2.77Å
145S88.4Confident91.5Very high71 Ų7166.1 Ų66.150%0.49737%0.367SS..  trans-123.6144.6-178170.30000110.5L147S145-L147 PolarHBondContact O-N 3.37Å; S145-L147 PolarHBondContact OG-N 3.03Å
146P92.8Very high91.7Very high3 Ų366.4 Ų66.42%0.01937%0.368CS..THydrogen-bonded Turntrans-76.8-0.817933.3-37.8000113.4V133 T135 E148 S149 L150 V164 A165 G166 I176V133-P146 HydrophobicContact CG2-CB 4.43Å; T135-P146 WeakPolarHBondContact OG1-CA 3.43Å; P146-E148 PolarHBondContact O-N 2.81Å; P146-S149 PolarHBondContact O-N 3.42Å; P146-L150 WeakPolarHBondContact O-CB 3.3Å; P146-L150 PolarHBondContact O-N 3.32Å; P146-V164 HydrophobicContact CB-CG2 3.8Å; P146-V164 HydrophobicContact CG-CG2 3.72Å; P146-A165 WeakPolarHBondContact CB-O 3.3Å; P146-G166 VanDerWaalsContact CD-O 3.26Å; P146-G166 WeakPolarHBondContact CD-O 3.47Å; P146-G166 WeakPolarHBondContact CG-O 3.33Å; P146-I176 HydrophobicContact CG-CD1 4.1Å
147L93.5Very high92.1Very high33 Ų3367.2 Ų67.217%0.17337%0.37CS..Hα-helixtrans-61.3-43.1-171.1-173.168.9000113.7S145 L150 R151 I176 E179S145-L147 PolarHBondContact O-N 3.37Å; S145-L147 PolarHBondContact OG-N 3.03Å; L147-L150 PolarHBondContact O-N 2.95Å; L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.49Å; L147-R151 VanDerWaalsContact O-N 3.14Å; L147-I176 HydrophobicContact CB-CD1 4.36Å; L147-I176 HydrophobicContact CD1-CD1 4.05Å; L147-E179 HydrophobicContact CD1-CG 3.46Å; L147-E179 VanDerWaalsContact CD1-CG 3.46Å
148E94.6Very high92.7Very high152 Ų15270.1 Ų70.171%0.7139%0.385SS*.Hα-helixtrans-68.4-46.2177.9-174.9172.4-174.200111P146 L150 R151 T152P146-E148 PolarHBondContact O-N 2.81Å; E148-L150 VanDerWaalsContact C-N 3.26Å; E148-L150 PolarHBondContact O-N 3.38Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-R151 VanDerWaalsContact O-N 3.15Å; E148-T152 PolarHBondContact O-N 2.96Å; E148-T152 PolarHBondContact O-OG1 2.89Å; E148-T152 VanDerWaalsContact O-OG1 3.06Å
149S97Very high93.3Very high35 Ų3569.9 Ų69.925%0.24538%0.384CS..Hα-helixtrans-55.9-42174.3-56.60000111.8P146 T152 V153P146-S149 PolarHBondContact O-N 3.42Å; S149-T152 PolarHBondContact O-N 3.12Å; S149-V153 PolarHBondContact O-N 3.38Å
150L97.9Very high93.8Very high0 Ų067 Ų670%037%0.369CS..Hα-helixtrans-59.4-49.5176.8175.658.8000111.2V133 P146 L147 E148 T152 V153 K154 V162 V164 I176 E179 P181V133-L150 HydrophobicContact CG2-CB 3.91Å; V133-L150 HydrophobicContact CG2-CD1 4.32Å; P146-L150 WeakPolarHBondContact O-CB 3.3Å; P146-L150 PolarHBondContact O-N 3.32Å; L147-L150 PolarHBondContact O-N 2.95Å; E148-L150 VanDerWaalsContact C-N 3.26Å; E148-L150 PolarHBondContact O-N 3.38Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.14Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-K154 HydrophobicContact CD1-CD 4.01Å; L150-K154 HydrophobicContact CD1-CG 3.88Å; L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 HydrophobicContact CG-CG 4.47Å; L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.03Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.79Å; L150-V162 HydrophobicContact CD1-CG1 3.59Å; L150-V164 HydrophobicContact CD1-CB 4.31Å; L150-V164 HydrophobicContact CD2-CB 4.31Å; L150-V164 HydrophobicContact CD2-CG1 4.38Å; L150-V164 HydrophobicContact CD2-CG2 4.24Å; L150-I176 HydrophobicContact CD2-CG2 4.22Å; L150-E179 HydrophobicContact CD2-CB 3.66Å; L150-E179 HydrophobicContact CD2-CG 4.3Å; L150-E179 HydrophobicContact CG-CB 4.26Å; L150-P181 HydrophobicContact CD1-CB 4.15Å; L150-P181 HydrophobicContact CD2-CB 4.4Å; L150-P181 HydrophobicContact CD2-CG 4.37Å
151R97.6Very high94.4Very high123 Ų12368.1 Ų68.146%0.46437%0.374SS..Hα-helixtrans-58.8-45.1177.1-72.4172.8178.81514.4111.6L147 E148 K154 S155 E179L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.49Å; L147-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-R151 VanDerWaalsContact O-N 3.15Å; R151-K154 PolarHBondContact O-N 3.07Å; R151-S155 WeakPolarHBondContact O-CB 3.41Å; R151-S155 PolarHBondContact O-N 3.24Å; R151-E179 HydrophobicContact CG-CG 4.3Å; R151-E179 WeakPolarHBondContact CG-OE2 3.41Å; R151-E179 IonicContact CZ-OE1 2.69Å; R151-E179 VanDerWaalsContact NE-CD 3.26Å; R151-E179 IonicContact NE-OE1 2.91Å; R151-E179 PolarHBondContact NE-OE1 3.32Å; R151-E179 IonicContact NE-OE2 3.27Å; R151-E179 IonicContact NH2-OE1 3.86Å; R151-E179 PolarHBondContact NH2-OE1 2.89Å
152T97.9Very high95.1Very high37 Ų3763.8 Ų63.823%0.22734%0.338CS..Hα-helixtrans-58.9-53.8179.1-60.50000111.3L116 E117 E148 S149 L150 K154 S155L116-T152 HydrophobicContact CB-CG2 4.13Å; E117-T152 HydrophobicContact CG-CG2 3.41Å; E117-T152 VanDerWaalsContact CG-CG2 3.41Å; E148-T152 PolarHBondContact O-N 2.96Å; E148-T152 PolarHBondContact O-OG1 2.89Å; E148-T152 VanDerWaalsContact O-OG1 3.06Å; S149-T152 PolarHBondContact O-N 3.12Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.14Å; T152-K154 PolarHBondContact O-N 3.21Å; T152-S155 PolarHBondContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 3.38Å
153V98.1Very high95.7Very high0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-63.3-45.5179.3169.50000111.1L116 A120 I131 V133 S149 L150 S155 V156 I157 V162L116-V153 HydrophobicContact CB-CG2 4.24Å; A120-V153 HydrophobicContact CB-CB 4.47Å; A120-V153 HydrophobicContact CB-CG1 4.03Å; A120-V153 HydrophobicContact CB-CG2 4.13Å; I131-V153 HydrophobicContact CG2-CG1 4.05Å; V133-V153 HydrophobicContact CG1-CB 3.83Å; V133-V153 HydrophobicContact CG1-CG1 4.41Å; V133-V153 HydrophobicContact CG1-CG2 3.38Å; S149-V153 PolarHBondContact O-N 3.38Å; L150-V153 PolarHBondContact O-N 3.4Å; V153-S155 PolarHBondContact O-N 2.93Å; V153-S155 VanDerWaalsContact O-N 3.16Å; V153-V156 WeakPolarHBondContact O-CG2 3.41Å; V153-V156 PolarHBondContact O-N 3.11Å; V153-I157 HydrophobicContact CG1-CD1 4.32Å; V153-I157 HydrophobicContact CG1-CG1 3.59Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 2.99Å; V153-I157 VanDerWaalsContact O-N 3.12Å; V153-V162 HydrophobicContact CG1-CG1 4.16Å; V153-V162 HydrophobicContact CG1-CG2 4.46Å
154K97.6Very high96.3Very high73 Ų7354 Ų5432%0.31727%0.274SS..Hα-helixtrans-59.1-29.7177.5-80.5-157.765.3170.80114.2L150 R151 T152 V156 V162 E179 S180L150-K154 HydrophobicContact CD1-CD 4.01Å; L150-K154 HydrophobicContact CD1-CG 3.88Å; L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 HydrophobicContact CG-CG 4.47Å; L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.03Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.79Å; R151-K154 PolarHBondContact O-N 3.07Å; T152-K154 PolarHBondContact O-N 3.21Å; K154-V156 PolarHBondContact O-N 3.02Å; K154-V162 HydrophobicContact CG-CB 4.18Å; K154-V162 HydrophobicContact CG-CG1 3.86Å; K154-V162 HydrophobicContact CG-CG2 4.14Å; K154-E179 VanDerWaalsContact CD-O 3.3Å; K154-E179 WeakPolarHBondContact CD-O 3.4Å; K154-E179 WeakPolarHBondContact CE-O 3.49Å; K154-E179 PolarHBondContact NZ-O 3.24Å; K154-S180 PolarHBondContact NZ-O 3.22Å
155S97.5Very high96.8Very high85 Ų8550.1 Ų50.159%0.59426%0.258SS*.THydrogen-bonded Turntrans-68.8-15.5179.478.20000113.4R151 T152 V153R151-S155 WeakPolarHBondContact O-CB 3.41Å; R151-S155 PolarHBondContact O-N 3.24Å; T152-S155 PolarHBondContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 3.38Å; V153-S155 PolarHBondContact O-N 2.93Å; V153-S155 VanDerWaalsContact O-N 3.16Å
156V97.7Very high97.2Very high15 Ų1547.1 Ų47.19%0.09124%0.238CC..THydrogen-bonded Turntrans-119.8-24.5-173.6-59.10000114.9E117 A120 K121 V153 K154E117-V156 HydrophobicContact CB-CG1 4.25Å; E117-V156 HydrophobicContact CG-CG1 4.17Å; A120-V156 HydrophobicContact CB-CG2 3.74Å; K121-V156 HydrophobicContact CD-CB 4.35Å; K121-V156 HydrophobicContact CG-CB 3.86Å; K121-V156 HydrophobicContact CG-CG2 4.16Å; V153-V156 WeakPolarHBondContact O-CG2 3.41Å; V153-V156 PolarHBondContact O-N 3.11Å; K154-V156 PolarHBondContact O-N 3.02Å
157I97.1Very high97.1Very high25 Ų2548.7 Ų48.713%0.12826%0.255CS..  trans-71.5139-179.7-66.6-58.7000112A120 D124 I131 V153 S160 V162A120-I157 HydrophobicContact CB-CD1 3.84Å; A120-I157 HydrophobicContact CB-CG1 4.4Å; A120-I157 VanDerWaalsContact O-CD1 3.32Å; A120-I157 WeakPolarHBondContact O-CD1 3.43Å; D124-I157 HydrophobicContact CB-CD1 3.74Å; I131-I157 HydrophobicContact CD1-CD1 3.4Å; I131-I157 VanDerWaalsContact CD1-CD1 3.4Å; V153-I157 HydrophobicContact CG1-CD1 4.32Å; V153-I157 HydrophobicContact CG1-CG1 3.59Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 2.99Å; V153-I157 VanDerWaalsContact O-N 3.12Å; I157-S160 WeakPolarHBondContact CG2-O 3.24Å; I157-V162 HydrophobicContact CB-CG2 3.96Å; I157-V162 HydrophobicContact CG1-CG2 4Å; I157-V162 HydrophobicContact CG2-CG2 3.81Å
158K97Very high97.2Very high176 Ų17647.5 Ų47.577%0.76525%0.248SC*.SBendtrans-121.3-35.4179.6-62.7173.1-171.91680114.1D124D124-K158 WeakPolarHBondContact OD2-CB 3.36Å; D124-K158 PolarHBondContact OD2-N 3.01Å
159N98.2Very high97.3Very high131 Ų13145.6 Ų45.670%0.70124%0.238SC*.SBendtrans-119.6-45.1-169.8-47.3-70.5000112.8D124D124-N159 WeakPolarHBondContact OD1-CA 3.45Å; D124-N159 WeakPolarHBondContact OD1-CB 3.45Å; D124-N159 PolarHBondContact OD1-N 2.92Å; D124-N159 PolarHBondContact OD2-N 2.9Å; D124-N159 PolarHBondContact OD2-ND2 3.08Å
160S98.6Very high97.2Very high11 Ų1145.2 Ų45.28%0.07723%0.234CC..SBendtrans-65.1151.6178.2-60.30000111.8D124 A128 I157D124-S160 PolarHBondContact OD1-N 3.2Å; D124-S160 PolarHBondContact OD1-OG 3.26Å; A128-S160 VanDerWaalsContact O-CB 3.29Å; A128-S160 WeakPolarHBondContact O-CB 3.15Å; A128-S160 PolarHBondContact O-OG 2.8Å; I157-S160 WeakPolarHBondContact CG2-O 3.24Å
161K98.7Very high97Very high70 Ų7051 Ų5130%0.30427%0.265SS..EExtended strand (participates in β ladder)trans-74141.3168.4-68.5178.5176.5-173.80110.1E2 D129 Y130 I131 D182E2-K161 IonicContact OE2-NZ 3.51Å; E2-K161 PolarHBondContact OE2-NZ 3.19Å; E2-K161 VanDerWaalsContact OE2-NZ 3.08Å; D129-K161 WeakPolarHBondContact O-CB 3.49Å; D129-K161 PolarHBondContact O-N 2.69Å; Y130-K161 CarbonylContact C-O 3.57Å; Y130-K161 VanDerWaalsContact CA-O 3.32Å; Y130-K161 WeakPolarHBondContact CA-O 3.34Å; Y130-K161 HydrophobicContact CD1-CB 3.56Å; Y130-K161 HydrophobicContact CD1-CD 3.92Å; Y130-K161 HydrophobicContact CD1-CG 4.43Å; Y130-K161 HydrophobicContact CE1-CB 3.82Å; Y130-K161 HydrophobicContact CE1-CD 3.31Å; Y130-K161 HydrophobicContact CE1-CG 4.25Å; Y130-K161 HydrophobicContact CE2-CD 4.35Å; Y130-K161 HydrophobicContact CG-CB 4.25Å; Y130-K161 PolarHBondContact OH-NZ 3.24Å; I131-K161 PolarHBondContact N-O 2.81Å; K161-D182 WeakPolarHBondContact CA-OD2 3.46Å; K161-D182 HydrophobicContact CB-CB 3.75Å; K161-D182 HydrophobicContact CD-CB 4.47Å; K161-D182 HydrophobicContact CG-CB 4.1Å
162V98.7Very high96.7Very high4 Ų447.9 Ų47.92%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-97.9122.7176.6-175.20000110.5L150 V153 K154 I157 D182 L183L150-V162 HydrophobicContact CD1-CG1 3.59Å; V153-V162 HydrophobicContact CG1-CG1 4.16Å; V153-V162 HydrophobicContact CG1-CG2 4.46Å; K154-V162 HydrophobicContact CG-CB 4.18Å; K154-V162 HydrophobicContact CG-CG1 3.86Å; K154-V162 HydrophobicContact CG-CG2 4.14Å; I157-V162 HydrophobicContact CB-CG2 3.96Å; I157-V162 HydrophobicContact CG1-CG2 4Å; I157-V162 HydrophobicContact CG2-CG2 3.81Å; V162-D182 PolarHBondContact N-OD2 3.21Å; V162-D182 PolarHBondContact O-N 3.18Å; V162-L183 PolarHBondContact O-N 3.49Å
163A98.7Very high96.7Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-108.8158175.900000111.5L107 I131 A132 V133 L183 I185L107-A163 HydrophobicContact CD1-CB 4.37Å; I131-A163 PolarHBondContact O-N 3.14Å; A132-A163 WeakPolarHBondContact CA-O 3.5Å; A132-A163 HydrophobicContact CB-CB 3.73Å; V133-A163 PolarHBondContact N-O 2.76Å; A163-L183 CarbonylContact C-O 3.57Å; A163-L183 VanDerWaalsContact CA-O 3.28Å; A163-L183 WeakPolarHBondContact CA-O 3.45Å; A163-L183 HydrophobicContact CB-CB 3.84Å; A163-L183 HydrophobicContact CB-CD2 3.84Å; A163-L183 HydrophobicContact CB-CG 4.1Å; A163-I185 HydrophobicContact CB-CD1 4.33Å
164V98.4Very high96.5Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-141.4129-179.557.60000111.2V133 P146 L150 I168 I176 P181 L183 V184 I185V133-V164 HydrophobicContact CG2-CB 3.96Å; V133-V164 HydrophobicContact CG2-CG2 3.83Å; V133-V164 WeakPolarHBondContact O-CA 3.41Å; P146-V164 HydrophobicContact CB-CG2 3.8Å; P146-V164 HydrophobicContact CG-CG2 3.72Å; L150-V164 HydrophobicContact CD1-CB 4.31Å; L150-V164 HydrophobicContact CD2-CB 4.31Å; L150-V164 HydrophobicContact CD2-CG1 4.38Å; L150-V164 HydrophobicContact CD2-CG2 4.24Å; V164-I168 HydrophobicContact CG1-CD1 4.22Å; V164-I168 HydrophobicContact CG2-CD1 4.16Å; V164-I176 HydrophobicContact CB-CG2 4.4Å; V164-I176 HydrophobicContact CG1-CG2 3.4Å; V164-I176 HydrophobicContact CG2-CD1 4.34Å; V164-I176 HydrophobicContact CG2-CG2 4.14Å; V164-P181 HydrophobicContact CG1-CB 3.9Å; V164-P181 HydrophobicContact CG1-CG 3.84Å; V164-L183 PolarHBondContact N-O 3.29Å; V164-V184 HydrophobicContact CG1-CB 4.43Å; V164-V184 HydrophobicContact CG1-CG1 4.4Å; V164-V184 HydrophobicContact CG1-CG2 4.13Å; V164-I185 WeakPolarHBondContact O-CB 3.44Å; V164-I185 PolarHBondContact O-N 2.85Å
165A97.7Very high96.4Very high9 Ų954.8 Ų54.87%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-132.4151.617600000110.8V133 H134 T135 P146 I185V133-A165 PolarHBondContact O-N 3.04Å; H134-A165 WeakPolarHBondContact CA-O 3.48Å; H134-A165 HydrophobicContact CB-CB 4.34Å; T135-A165 PolarHBondContact N-O 3.3Å; T135-A165 VanDerWaalsContact N-O 3.16Å; P146-A165 WeakPolarHBondContact CB-O 3.3Å; A165-I185 HydrophobicContact CB-CB 3.89Å; A165-I185 HydrophobicContact CB-CD1 4.1Å; A165-I185 HydrophobicContact CB-CG2 4.19Å
166G95.2Very high96.3Very high8 Ų851.1 Ų51.18%0.08227%0.265CS..SBendtrans123.4110.3169.500000113.4T135 P146 I168T135-G166 WeakPolarHBondContact O-CA 3.31Å; P146-G166 VanDerWaalsContact CD-O 3.26Å; P146-G166 WeakPolarHBondContact CD-O 3.47Å; P146-G166 WeakPolarHBondContact CG-O 3.33Å; G166-I168 PolarHBondContact O-N 2.99Å; G166-I168 VanDerWaalsContact O-N 3.08Å
167G92.1Very high96.3Very high36 Ų3650.7 Ų50.737%0.37126%0.263SS..SBendtrans66.49.6171.600000116.1Q140Q140-G167 VanDerWaalsContact OE1-CA 3.28Å
168I95.6Very high96.2Very high7 Ų752.7 Ų52.74%0.03628%0.283CS..  trans-72.4134.1-176.9-51.2-179000110V164 G166 I173 I176 V184 V186V164-I168 HydrophobicContact CG1-CD1 4.22Å; V164-I168 HydrophobicContact CG2-CD1 4.16Å; G166-I168 PolarHBondContact O-N 2.99Å; G166-I168 VanDerWaalsContact O-N 3.08Å; I168-I173 HydrophobicContact CG2-CB 3.88Å; I168-I173 HydrophobicContact CG2-CD1 4.29Å; I168-I173 HydrophobicContact CG2-CG1 3.87Å; I168-I176 HydrophobicContact CD1-CG1 4.19Å; I168-I176 HydrophobicContact CD1-CG2 4.2Å; I168-I176 HydrophobicContact CG1-CG1 4.29Å; I168-V184 HydrophobicContact CD1-CG1 3.73Å; I168-V184 HydrophobicContact CG2-CG1 4.2Å; I168-V186 HydrophobicContact CB-CG2 4.23Å; I168-V186 HydrophobicContact CG2-CG2 3.88Å
169K95.3Very high96.2Very high113 Ų11346.7 Ų46.749%0.49126%0.258SS..  trans-136.1161.2-179.6-66.7178.5-175178.10110.4D171 T172 I173K169-D171 WeakPolarHBondContact CB-OD1 3.32Å; K169-D171 PolarHBondContact O-N 3.35Å; K169-D171 VanDerWaalsContact O-N 3.1Å; K169-T172 PolarHBondContact N-OG1 3.41Å; K169-T172 VanDerWaalsContact N-OG1 3.12Å; K169-T172 PolarHBondContact O-N 3.29Å; K169-T172 VanDerWaalsContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 2.96Å; K169-I173 WeakPolarHBondContact O-CB 2.91Å; K169-I173 PolarHBondContact O-N 3Å
170P96.2Very high96.1Very high26 Ų2643 Ų4317%0.16924%0.242CC..THydrogen-bonded Turntrans-53.8-30178.8-28.635.3000115.3I173 G189 A199 Q202P170-I173 WeakPolarHBondContact O-CG2 3.16Å; P170-G189 WeakPolarHBondContact CD-O 3.39Å; P170-A199 HydrophobicContact CG-CB 3.89Å; P170-Q202 HydrophobicContact CB-CB 3.87Å
171D93.5Very high96.1Very high123 Ų12342.7 Ų42.766%0.65824%0.24SC*.THydrogen-bonded Turntrans-83.2-29.2178.960.3-19.8000113.6K169K169-D171 WeakPolarHBondContact CB-OD1 3.32Å; K169-D171 PolarHBondContact O-N 3.35Å; K169-D171 VanDerWaalsContact O-N 3.1Å
172T91.9Very high96.1Very high56 Ų5642.5 Ų42.534%0.34424%0.243SC..THydrogen-bonded Turntrans-99.7-14.4-178.461.80000114.3K169 K174 D175K169-T172 PolarHBondContact N-OG1 3.41Å; K169-T172 VanDerWaalsContact N-OG1 3.12Å; K169-T172 PolarHBondContact O-N 3.29Å; K169-T172 VanDerWaalsContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 2.96Å; T172-K174 PolarHBondContact O-N 2.97Å; T172-K174 VanDerWaalsContact O-N 3.07Å; T172-D175 PolarHBondContact O-N 3.45Å
173I96Very high96.1Very high0 Ų042.3 Ų42.30%024%0.241CC..Hα-helixtrans-58.5-26.9-174.6-168.7168.7000113.5L3 I168 K169 P170 D175 I176 V177 V184 V186 C203 A206 I207L3-I173 HydrophobicContact CD1-CD1 4.47Å; I168-I173 HydrophobicContact CG2-CB 3.88Å; I168-I173 HydrophobicContact CG2-CD1 4.29Å; I168-I173 HydrophobicContact CG2-CG1 3.87Å; K169-I173 WeakPolarHBondContact O-CB 2.91Å; K169-I173 PolarHBondContact O-N 3Å; P170-I173 WeakPolarHBondContact O-CG2 3.16Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.88Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.12Å; I173-I176 VanDerWaalsContact O-N 3.17Å; I173-V177 HydrophobicContact CG1-CG2 3.95Å; I173-V177 VanDerWaalsContact O-CG2 3.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.4Å; I173-V184 HydrophobicContact CD1-CG1 3.97Å; I173-V184 HydrophobicContact CG1-CG1 4.15Å; I173-V186 HydrophobicContact CD1-CG2 4.23Å; I173-C203 HydrophobicContact CD1-CB 3.74Å; I173-A206 HydrophobicContact CG2-CB 3.56Å; I173-I207 HydrophobicContact CD1-CD1 4.35Å; I173-I207 HydrophobicContact CD1-CG1 4.44Å
174K95.6Very high96.1Very high145 Ų14542.3 Ų42.363%0.6324%0.241SC*.Hα-helixtrans-60.8-37.2-179.1-71.2-177.3179.7176.50113.2T172 I176 V177 A178 A206T172-K174 PolarHBondContact O-N 2.97Å; T172-K174 VanDerWaalsContact O-N 3.07Å; K174-I176 VanDerWaalsContact C-N 3.32Å; K174-V177 PolarHBondContact O-N 2.99Å; K174-A178 WeakPolarHBondContact O-CB 3.42Å; K174-A178 PolarHBondContact O-N 3.22Å; K174-A206 HydrophobicContact CG-CB 4.2Å
175D94Very high96.1Very high110 Ų11043 Ų4359%0.58825%0.245SC*.Hα-helixtrans-67.6-37.3178.9-65.7-25.8000111T172 I173T172-D175 PolarHBondContact O-N 3.45Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.88Å
176I96.3Very high96.1Very high8 Ų842.5 Ų42.54%0.04124%0.241CC..Hα-helixtrans-68.3-45.8173.9-59.3-63000110.6P146 L147 L150 V164 I168 I173 K174 A178 E179 P181 V184P146-I176 HydrophobicContact CG-CD1 4.1Å; L147-I176 HydrophobicContact CB-CD1 4.36Å; L147-I176 HydrophobicContact CD1-CD1 4.05Å; L150-I176 HydrophobicContact CD2-CG2 4.22Å; V164-I176 HydrophobicContact CB-CG2 4.4Å; V164-I176 HydrophobicContact CG1-CG2 3.4Å; V164-I176 HydrophobicContact CG2-CD1 4.34Å; V164-I176 HydrophobicContact CG2-CG2 4.14Å; I168-I176 HydrophobicContact CD1-CG1 4.19Å; I168-I176 HydrophobicContact CD1-CG2 4.2Å; I168-I176 HydrophobicContact CG1-CG1 4.29Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.12Å; I173-I176 VanDerWaalsContact O-N 3.17Å; K174-I176 VanDerWaalsContact C-N 3.32Å; I176-A178 VanDerWaalsContact C-N 3.28Å; I176-A178 PolarHBondContact O-N 3.02Å; I176-E179 PolarHBondContact O-N 2.9Å; I176-E179 VanDerWaalsContact O-N 3.16Å; I176-P181 HydrophobicContact CG2-CG 4.16Å; I176-P181 WeakPolarHBondContact O-CD 3.48Å; I176-V184 HydrophobicContact CG2-CG1 4.39Å; I176-V184 HydrophobicContact CG2-CG2 4.25Å
177V96.6Very high96.2Very high6 Ų642.9 Ų42.94%0.03625%0.245CC..Hα-helixtrans-59.8-40.6178.9167.60000110.3M1 I173 K174 E179 S180 I207 K210M1-V177 HydrophobicContact CE-CB 4.43Å; M1-V177 HydrophobicContact CE-CG1 4.09Å; M1-V177 HydrophobicContact CE-CG2 4.46Å; M1-V177 HydrophobicContact SD-CB 4.48Å; M1-V177 HydrophobicContact SD-CG1 4.38Å; M1-V177 HydrophobicContact SD-CG2 3.88Å; I173-V177 HydrophobicContact CG1-CG2 3.95Å; I173-V177 VanDerWaalsContact O-CG2 3.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.4Å; K174-V177 PolarHBondContact O-N 2.99Å; V177-E179 PolarHBondContact O-N 3.14Å; V177-E179 VanDerWaalsContact O-N 3.15Å; V177-S180 WeakPolarHBondContact O-CA 3.04Å; V177-S180 PolarHBondContact O-N 3.49Å; V177-I207 HydrophobicContact CG2-CG1 3.84Å; V177-K210 HydrophobicContact CG1-CD 3.67Å; V177-K210 VanDerWaalsContact CG1-CE 3.48Å; V177-K210 HydrophobicContact CG1-CG 3.92Å; V177-K210 WeakPolarHBondContact O-CE 3.19Å; V177-K210 PolarHBondContact O-NZ 2.67Å
178A96.3Very high96.3Very high67 Ų6742.4 Ų42.455%0.55424%0.24SC*.Hα-helixtrans-53.9-35.7178.200000113K174 I176 S180K174-A178 WeakPolarHBondContact O-CB 3.42Å; K174-A178 PolarHBondContact O-N 3.22Å; I176-A178 VanDerWaalsContact C-N 3.28Å; I176-A178 PolarHBondContact O-N 3.02Å; A178-S180 PolarHBondContact O-N 3.22Å; A178-S180 PolarHBondContact O-OG 3.27Å
179E96.7Very high96.3Very high50 Ų5042.8 Ų42.823%0.23425%0.246CC..THydrogen-bonded Turntrans-74.6-4.1176.9-60.7-57.2154.200113.9L147 L150 R151 K154 I176 V177L147-E179 HydrophobicContact CD1-CG 3.46Å; L147-E179 VanDerWaalsContact CD1-CG 3.46Å; L150-E179 HydrophobicContact CD2-CB 3.66Å; L150-E179 HydrophobicContact CD2-CG 4.3Å; L150-E179 HydrophobicContact CG-CB 4.26Å; R151-E179 HydrophobicContact CG-CG 4.3Å; R151-E179 WeakPolarHBondContact CG-OE2 3.41Å; R151-E179 IonicContact CZ-OE1 2.69Å; R151-E179 VanDerWaalsContact NE-CD 3.26Å; R151-E179 IonicContact NE-OE1 2.91Å; R151-E179 PolarHBondContact NE-OE1 3.32Å; R151-E179 IonicContact NE-OE2 3.27Å; R151-E179 IonicContact NH2-OE1 3.86Å; R151-E179 PolarHBondContact NH2-OE1 2.89Å; K154-E179 VanDerWaalsContact CD-O 3.3Å; K154-E179 WeakPolarHBondContact CD-O 3.4Å; K154-E179 WeakPolarHBondContact CE-O 3.49Å; K154-E179 PolarHBondContact NZ-O 3.24Å; I176-E179 PolarHBondContact O-N 2.9Å; I176-E179 VanDerWaalsContact O-N 3.16Å; V177-E179 PolarHBondContact O-N 3.14Å; V177-E179 VanDerWaalsContact O-N 3.15Å
180S96.4Very high96.5Very high54 Ų5437.4 Ų37.438%0.37822%0.222SC..  trans57.651174.7-49.90000115.7K154 V177 A178 K210K154-S180 PolarHBondContact NZ-O 3.22Å; V177-S180 WeakPolarHBondContact O-CA 3.04Å; V177-S180 PolarHBondContact O-N 3.49Å; A178-S180 PolarHBondContact O-N 3.22Å; A178-S180 PolarHBondContact O-OG 3.27Å; S180-K210 VanDerWaalsContact CB-NZ 3.29Å; S180-K210 PolarHBondContact OG-NZ 2.98Å
181P97.7Very high96.5Very high4 Ų437.1 Ų37.13%0.02622%0.222CC..  trans-61160.5166.429.8-36.5000111.3M1 L150 V164 I176 V184M1-P181 HydrophobicContact CE-CG 3.95Å; M1-P181 VanDerWaalsContact CE-O 3.27Å; M1-P181 WeakPolarHBondContact CE-O 3.41Å; M1-P181 WeakPolarHBondContact CG-O 3.47Å; M1-P181 HydrophobicContact SD-CG 4.21Å; L150-P181 HydrophobicContact CD1-CB 4.15Å; L150-P181 HydrophobicContact CD2-CB 4.4Å; L150-P181 HydrophobicContact CD2-CG 4.37Å; V164-P181 HydrophobicContact CG1-CB 3.9Å; V164-P181 HydrophobicContact CG1-CG 3.84Å; I176-P181 HydrophobicContact CG2-CG 4.16Å; I176-P181 WeakPolarHBondContact O-CD 3.48Å; P181-V184 HydrophobicContact CG-CG2 3.63Å
182D98.5Very high96.6Very high67 Ų6736.2 Ų36.236%0.35822%0.217SC..SBendtrans-80-30.8172.8-63.8-72.9000111.5M1 E2 K161 V162M1-D182 CarbonylContact C-O 3.59Å; M1-D182 WeakPolarHBondContact CA-O 3.26Å; E2-D182 PolarHBondContact N-O 3.47Å; K161-D182 WeakPolarHBondContact CA-OD2 3.46Å; K161-D182 HydrophobicContact CB-CB 3.75Å; K161-D182 HydrophobicContact CD-CB 4.47Å; K161-D182 HydrophobicContact CG-CB 4.1Å; V162-D182 PolarHBondContact N-OD2 3.21Å; V162-D182 PolarHBondContact O-N 3.18Å
183L98.7Very high96.8Very high0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-139.3130-178176.966.2000111.3E2 Q4 I28 L107 Y130 V162 A163 V164 I185E2-L183 HydrophobicContact CB-CD1 3.52Å; E2-L183 WeakPolarHBondContact O-CA 3.41Å; Q4-L183 HydrophobicContact CB-CD1 3.9Å; I28-L183 HydrophobicContact CD1-CD1 3.92Å; I28-L183 HydrophobicContact CD1-CD2 4.12Å; L107-L183 HydrophobicContact CD1-CD2 4.21Å; Y130-L183 HydrophobicContact CD1-CB 4.25Å; Y130-L183 HydrophobicContact CD1-CD2 3.85Å; Y130-L183 HydrophobicContact CE1-CB 4.1Å; Y130-L183 HydrophobicContact CE1-CD2 3.84Å; V162-L183 PolarHBondContact O-N 3.49Å; A163-L183 CarbonylContact C-O 3.57Å; A163-L183 VanDerWaalsContact CA-O 3.28Å; A163-L183 WeakPolarHBondContact CA-O 3.45Å; A163-L183 HydrophobicContact CB-CB 3.84Å; A163-L183 HydrophobicContact CB-CD2 3.84Å; A163-L183 HydrophobicContact CB-CG 4.1Å; V164-L183 PolarHBondContact N-O 3.29Å; L183-I185 HydrophobicContact CD2-CD1 4.44Å; L183-I185 HydrophobicContact CD2-CG1 4.3Å; L183-I185 HydrophobicContact CG-CG1 4.2Å
184V98.5Very high96.9Very high0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-111.1123.9173.6-1770000109.5M1 E2 L3 Q4 V164 I168 I173 I176 P181 V186 I207M1-V184 HydrophobicContact CG-CG2 4.1Å; M1-V184 HydrophobicContact SD-CG2 3.58Å; M1-V184 VanDerWaalsContact SD-CG2 3.58Å; E2-V184 PolarHBondContact O-N 2.93Å; L3-V184 HydrophobicContact CD1-CB 4.47Å; Q4-V184 PolarHBondContact N-O 3.36Å; V164-V184 HydrophobicContact CG1-CB 4.43Å; V164-V184 HydrophobicContact CG1-CG1 4.4Å; V164-V184 HydrophobicContact CG1-CG2 4.13Å; I168-V184 HydrophobicContact CD1-CG1 3.73Å; I168-V184 HydrophobicContact CG2-CG1 4.2Å; I173-V184 HydrophobicContact CD1-CG1 3.97Å; I173-V184 HydrophobicContact CG1-CG1 4.15Å; I176-V184 HydrophobicContact CG2-CG1 4.39Å; I176-V184 HydrophobicContact CG2-CG2 4.25Å; P181-V184 HydrophobicContact CG-CG2 3.63Å; V184-V186 HydrophobicContact CG1-CG2 4.1Å; V184-I207 HydrophobicContact CB-CD1 4.35Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å
185I98.7Very high97Very high13 Ų1341.1 Ų41.17%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-104.4117.4-177.6-54.4171.9000108.8Q4 A6 L107 A163 V164 A165 L183Q4-I185 HydrophobicContact CB-CB 4.46Å; Q4-I185 HydrophobicContact CB-CG1 4.09Å; Q4-I185 HydrophobicContact CB-CG2 4.5Å; Q4-I185 HydrophobicContact CG-CG1 4.29Å; Q4-I185 HydrophobicContact CG-CG2 4.18Å; A6-I185 HydrophobicContact CB-CG2 3.99Å; L107-I185 HydrophobicContact CD1-CD1 4.24Å; A163-I185 HydrophobicContact CB-CD1 4.33Å; V164-I185 WeakPolarHBondContact O-CB 3.44Å; V164-I185 PolarHBondContact O-N 2.85Å; A165-I185 HydrophobicContact CB-CB 3.89Å; A165-I185 HydrophobicContact CB-CD1 4.1Å; A165-I185 HydrophobicContact CB-CG2 4.19Å; L183-I185 HydrophobicContact CD2-CD1 4.44Å; L183-I185 HydrophobicContact CD2-CG1 4.3Å; L183-I185 HydrophobicContact CG-CG1 4.2Å
186V98Very high97.2Very high0 Ų037.2 Ų37.20%023%0.233CC..EExtended strand (participates in β ladder)trans-118.7114.1179.7-1740000109.1L3 Q4 L5 A6 I168 I173 V184 I190L3-V186 HydrophobicContact CD1-CG2 3.83Å; Q4-V186 PolarHBondContact O-N 2.92Å; L5-V186 WeakPolarHBondContact CA-O 3.41Å; A6-V186 PolarHBondContact N-O 3.25Å; I168-V186 HydrophobicContact CB-CG2 4.23Å; I168-V186 HydrophobicContact CG2-CG2 3.88Å; I173-V186 HydrophobicContact CD1-CG2 4.23Å; V184-V186 HydrophobicContact CG1-CG2 4.1Å; V186-I190 HydrophobicContact CB-CD1 3.84Å; V186-I190 HydrophobicContact CB-CG1 4.26Å; V186-I190 HydrophobicContact CG1-CB 4.33Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 HydrophobicContact CG1-CG1 3.7Å
187G97Very high97.3Very high16 Ų1638.4 Ų38.417%0.16524%0.241CC..SBendtrans-89.7-109.9175.600000112A6 G189 I190 A191A6-G187 VanDerWaalsContact O-CA 3.31Å; A6-G187 WeakPolarHBondContact O-CA 3.24Å; G187-G189 PolarHBondContact O-N 2.91Å; G187-I190 PolarHBondContact O-N 3.44Å; G187-A191 PolarHBondContact O-N 3.45Å
188G95Very high97.4Very high25 Ų2541.9 Ų41.926%0.25826%0.257SS..Hα-helixtrans-55.4-19.9-179.400000115.8I190 N192G188-I190 PolarHBondContact O-N 3.03Å; G188-N192 WeakPolarHBondContact O-CB 3.44Å; G188-N192 PolarHBondContact O-N 2.95Å; G188-N192 VanDerWaalsContact O-N 3.1Å
189G96.1Very high97.5Very high16 Ų1638.9 Ų38.917%0.16523%0.232CC..Hα-helixtrans-62.1-22.317200000114.3P170 G187P170-G189 WeakPolarHBondContact CD-O 3.39Å; G187-G189 PolarHBondContact O-N 2.91Å
190I98.3Very high97.6Very high0 Ų036.5 Ų36.50%022%0.221CC..Hα-helixtrans-111.4-52.2170.3-68.1168.6000109.7L5 V22 V186 G187 G188 N192 A193 P196 A199 A200 C203L5-I190 HydrophobicContact CD1-CB 3.83Å; L5-I190 HydrophobicContact CD1-CG2 3.73Å; V22-I190 HydrophobicContact CG1-CG2 4.42Å; V186-I190 HydrophobicContact CB-CD1 3.84Å; V186-I190 HydrophobicContact CB-CG1 4.26Å; V186-I190 HydrophobicContact CG1-CB 4.33Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 HydrophobicContact CG1-CG1 3.7Å; G187-I190 PolarHBondContact O-N 3.44Å; G188-I190 PolarHBondContact O-N 3.03Å; I190-N192 VanDerWaalsContact C-N 3.26Å; I190-N192 PolarHBondContact O-N 3.35Å; I190-A193 WeakPolarHBondContact O-CB 3.38Å; I190-A193 PolarHBondContact O-N 3.45Å; I190-P196 HydrophobicContact CG2-CB 4.27Å; I190-P196 WeakPolarHBondContact O-CB 3.44Å; I190-A199 HydrophobicContact CG1-CB 4.21Å; I190-A200 HydrophobicContact CD1-CB 4.17Å; I190-A200 HydrophobicContact CG1-CB 4.49Å; I190-A200 HydrophobicContact CG2-CB 4.19Å; I190-C203 HydrophobicContact CD1-CB 4.44Å
191A97.5Very high97.7Very high19 Ų1937.8 Ų37.816%0.15722%0.219CC..Hα-helixtrans-63-30.3-170.600000114L5 L18 G187L5-A191 HydrophobicContact CD1-CB 4.24Å; L18-A191 HydrophobicContact CD2-CB 3.81Å; G187-A191 PolarHBondContact O-N 3.45Å
192N95.1Very high97.7Very high104 Ų10441.8 Ų41.856%0.55624%0.238SC*.THydrogen-bonded Turntrans-10811.8-178.4-56.1-20.6000112.6G188 I190G188-N192 WeakPolarHBondContact O-CB 3.44Å; G188-N192 PolarHBondContact O-N 2.95Å; G188-N192 VanDerWaalsContact O-N 3.1Å; I190-N192 VanDerWaalsContact C-N 3.26Å; I190-N192 PolarHBondContact O-N 3.35Å
193A96.7Very high97.7Very high32 Ų3238.6 Ų38.626%0.26422%0.221SC..SBendtrans-73.8150.7175.300000110.7I190 D195 P196 A199I190-A193 WeakPolarHBondContact O-CB 3.38Å; I190-A193 PolarHBondContact O-N 3.45Å; A193-D195 PolarHBondContact O-N 3.22Å; A193-P196 WeakPolarHBondContact O-CD 3.48Å; A193-A199 HydrophobicContact CB-CB 3.73Å
194D96.6Very high97.7Very high184 Ų18439.9 Ų39.998%0.98423%0.226SC*.SBendtrans-58.6-35.1174.2-68.4-28.9000111.8
195D97.9Very high97.6Very high88 Ų8842.6 Ų42.647%0.47125%0.248SC..SBendtrans-127.795.1170.4-173.1-20.5000109.8A193 V197 E198 A199A193-D195 PolarHBondContact O-N 3.22Å; D195-V197 PolarHBondContact O-N 3.05Å; D195-V197 WeakPolarHBondContact OD1-CB 3.41Å; D195-V197 PolarHBondContact OD1-N 3.32Å; D195-E198 HydrophobicContact CB-CB 3.98Å; D195-E198 PolarHBondContact O-N 3.42Å; D195-E198 PolarHBondContact OD1-N 3.02Å; D195-A199 PolarHBondContact O-N 2.92Å
196P98.3Very high97.6Very high28 Ų2842.7 Ų42.718%0.18225%0.251CS..Hα-helixtrans-62.4-28178.9-25.735.6000113.8L18 V22 I190 A193 A200L18-P196 HydrophobicContact CD1-CB 3.49Å; L18-P196 VanDerWaalsContact CD1-CB 3.49Å; L18-P196 HydrophobicContact CD1-CG 3.88Å; V22-P196 HydrophobicContact CG1-CB 4.3Å; I190-P196 HydrophobicContact CG2-CB 4.27Å; I190-P196 WeakPolarHBondContact O-CB 3.44Å; A193-P196 WeakPolarHBondContact O-CD 3.48Å; P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.09Å; P196-A200 PolarHBondContact O-N 2.89Å
197V98.5Very high97.5Very high34 Ų3443.3 Ų43.321%0.20625%0.254CS..Hα-helixtrans-71.4-45.8179.6-178.40000109.8K21 V22 Y25 D195 A200 K201K21-V197 HydrophobicContact CB-CG2 3.9Å; V22-V197 HydrophobicContact CG1-CG2 4.47Å; Y25-V197 HydrophobicContact CE2-CG1 3.83Å; D195-V197 PolarHBondContact O-N 3.05Å; D195-V197 WeakPolarHBondContact OD1-CB 3.41Å; D195-V197 PolarHBondContact OD1-N 3.32Å; V197-A200 PolarHBondContact O-N 3.07Å; V197-K201 HydrophobicContact CG1-CD 4.42Å; V197-K201 WeakPolarHBondContact O-CG 3.41Å; V197-K201 PolarHBondContact O-N 3.38Å
198E98.5Very high97.4Very high78 Ų7849.2 Ų49.236%0.36428%0.277SS..Hα-helixtrans-65.3-41.2175.7-176.554.9-153.600111.7D195 A200 K201 Q202D195-E198 HydrophobicContact CB-CB 3.98Å; D195-E198 PolarHBondContact O-N 3.42Å; D195-E198 PolarHBondContact OD1-N 3.02Å; E198-A200 PolarHBondContact O-N 3.3Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 PolarHBondContact O-N 2.95Å; E198-Q202 WeakPolarHBondContact O-CG 3.21Å; E198-Q202 PolarHBondContact O-N 3.2Å; E198-Q202 PolarHBondContact OE1-NE2 3.01Å
199A98.6Very high97Very high4 Ų451.4 Ų51.43%0.03330%0.3CS..Hα-helixtrans-59.3-46174.400000112P170 I190 A193 D195 K201 Q202 C203P170-A199 HydrophobicContact CG-CB 3.89Å; I190-A199 HydrophobicContact CG1-CB 4.21Å; A193-A199 HydrophobicContact CB-CB 3.73Å; D195-A199 PolarHBondContact O-N 2.92Å; A199-K201 PolarHBondContact O-N 3.28Å; A199-Q202 PolarHBondContact O-N 2.91Å; A199-C203 PolarHBondContact O-N 3.28Å; A199-C203 PolarHBondContact O-SG 2.61Å; A199-C203 VanDerWaalsContact O-SG 3.37Å
200A98.7Very high95.3Very high0 Ų057.8 Ų57.80%032%0.323CS..Hα-helixtrans-63.5-40.9177.400000112.3V22 Y25 I190 P196 V197 E198 C203 R204V22-A200 HydrophobicContact CB-CB 3.91Å; V22-A200 HydrophobicContact CG1-CB 4Å; Y25-A200 HydrophobicContact CD2-CB 4.26Å; Y25-A200 HydrophobicContact CG-CB 4.41Å; I190-A200 HydrophobicContact CD1-CB 4.17Å; I190-A200 HydrophobicContact CG1-CB 4.49Å; I190-A200 HydrophobicContact CG2-CB 4.19Å; P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.09Å; P196-A200 PolarHBondContact O-N 2.89Å; V197-A200 PolarHBondContact O-N 3.07Å; E198-A200 PolarHBondContact O-N 3.3Å; A200-C203 PolarHBondContact O-N 2.99Å; A200-R204 WeakPolarHBondContact O-CB 3.07Å; A200-R204 PolarHBondContact O-N 2.68Å
201K98.3Very high95.2Very high81 Ų8160.7 Ų60.735%0.35234%0.339SS..Hα-helixtrans-59.6-45.4173.9-78.1169.7179.7169.30112.4Y25 V197 E198 A199 R204 A205Y25-K201 HydrophobicContact CD1-CG 3.79Å; Y25-K201 HydrophobicContact CD2-CG 4.05Å; Y25-K201 HydrophobicContact CE1-CD 4.37Å; Y25-K201 HydrophobicContact CE1-CG 3.47Å; Y25-K201 VanDerWaalsContact CE1-CG 3.47Å; Y25-K201 HydrophobicContact CE2-CD 4.37Å; Y25-K201 HydrophobicContact CE2-CG 3.74Å; Y25-K201 HydrophobicContact CG-CG 4.08Å; Y25-K201 VanDerWaalsContact CZ-CG 3.45Å; Y25-K201 WeakPolarHBondContact OH-CE 3.23Å; V197-K201 HydrophobicContact CG1-CD 4.42Å; V197-K201 WeakPolarHBondContact O-CG 3.41Å; V197-K201 PolarHBondContact O-N 3.38Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 PolarHBondContact O-N 2.95Å; A199-K201 PolarHBondContact O-N 3.28Å; K201-R204 PolarHBondContact O-N 2.77Å; K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 3.21Å
202Q98.3Very high95.1Very high88 Ų8862.8 Ų62.841%0.41135%0.349SS..Hα-helixtrans-63.6-43.2179.1-72.7175700111.4P170 E198 A199 A205 A206P170-Q202 HydrophobicContact CB-CB 3.87Å; E198-Q202 WeakPolarHBondContact O-CG 3.21Å; E198-Q202 PolarHBondContact O-N 3.2Å; E198-Q202 PolarHBondContact OE1-NE2 3.01Å; A199-Q202 PolarHBondContact O-N 2.91Å; Q202-A205 PolarHBondContact O-N 3.37Å; Q202-A206 WeakPolarHBondContact O-CB 3.36Å; Q202-A206 PolarHBondContact O-N 3.38Å
203C98.4Very high95.1Very high0 Ų060.6 Ų60.60%034%0.337CS..Hα-helixtrans-59.9-47.9173.4-710000111.8L3 I173 I190 A199 A200 A205 A206 I207L3-C203 HydrophobicContact CD1-CB 4.19Å; L3-C203 HydrophobicContact CD2-CB 3.73Å; I173-C203 HydrophobicContact CD1-CB 3.74Å; I190-C203 HydrophobicContact CD1-CB 4.44Å; A199-C203 PolarHBondContact O-N 3.28Å; A199-C203 PolarHBondContact O-SG 2.61Å; A199-C203 VanDerWaalsContact O-SG 3.37Å; A200-C203 PolarHBondContact O-N 2.99Å; C203-A205 PolarHBondContact O-N 2.64Å; C203-A206 PolarHBondContact O-N 2.79Å; C203-I207 WeakPolarHBondContact O-CG1 3.45Å; C203-I207 PolarHBondContact O-N 2.78Å; C203-I207 VanDerWaalsContact O-N 3.1Å
204R98.3Very high95Very high27 Ų2762.2 Ų62.210%0.10234%0.342CS..Hα-helixtrans-60.5-45.9177.2178.455.660.6173.89.9111.8Y25 D27 A200 K201 A206 I207 E208Y25-R204 PolarHBondContact O-NE 2.78Å; Y25-R204 PolarHBondContact O-NH2 3.5Å; D27-R204 VanDerWaalsContact CG-NH2 3.33Å; D27-R204 IonicContact OD1-NH2 2.64Å; D27-R204 IonicContact OD2-CZ 2.69Å; D27-R204 IonicContact OD2-NH1 3.63Å; D27-R204 PolarHBondContact OD2-NH1 3.16Å; D27-R204 VanDerWaalsContact OD2-NH1 3.12Å; D27-R204 IonicContact OD2-NH2 3.12Å; D27-R204 PolarHBondContact OD2-NH2 3.34Å; A200-R204 WeakPolarHBondContact O-CB 3.07Å; A200-R204 PolarHBondContact O-N 2.68Å; K201-R204 PolarHBondContact O-N 2.77Å; R204-A206 VanDerWaalsContact C-N 3.29Å; R204-A206 PolarHBondContact O-N 3.16Å; R204-I207 WeakPolarHBondContact O-CB 3.42Å; R204-I207 PolarHBondContact O-N 2.93Å; R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 HydrophobicContact CG-CG 4.29Å; R204-E208 PolarHBondContact O-N 3.47Å
205A97.7Very high94.9Very high58 Ų5854.6 Ų54.648%0.47930%0.302SS..Hα-helixtrans-62-36.817800000112.2K201 Q202 C203 I207 G209K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 3.21Å; Q202-A205 PolarHBondContact O-N 3.37Å; C203-A205 PolarHBondContact O-N 2.64Å; A205-I207 VanDerWaalsContact C-N 3.32Å; A205-G209 PolarHBondContact O-N 3.14Å
206A97.1Very high94.7Very high15 Ų1552.4 Ų52.412%0.12429%0.29CS..Hα-helixtrans-65.5-35.5174.100000112.3I173 K174 Q202 C203 R204I173-A206 HydrophobicContact CG2-CB 3.56Å; K174-A206 HydrophobicContact CG-CB 4.2Å; Q202-A206 WeakPolarHBondContact O-CB 3.36Å; Q202-A206 PolarHBondContact O-N 3.38Å; C203-A206 PolarHBondContact O-N 2.79Å; R204-A206 VanDerWaalsContact C-N 3.29Å; R204-A206 PolarHBondContact O-N 3.16Å
207I96.5Very high94.4Very high12 Ų1254.1 Ų54.16%0.06230%0.298CS..Hα-helixtrans-73.1-40.7177.2-70.4171.9000112M1 L3 I173 V177 V184 C203 R204 A205M1-I207 HydrophobicContact CB-CG2 3.87Å; M1-I207 HydrophobicContact CG-CG2 3.96Å; M1-I207 HydrophobicContact SD-CB 4.34Å; M1-I207 HydrophobicContact SD-CD1 4.3Å; M1-I207 HydrophobicContact SD-CG1 3.77Å; M1-I207 HydrophobicContact SD-CG2 3.94Å; L3-I207 HydrophobicContact CB-CD1 3.71Å; L3-I207 HydrophobicContact CD1-CD1 3.76Å; L3-I207 HydrophobicContact CD2-CD1 4.43Å; L3-I207 HydrophobicContact CG-CD1 4.15Å; I173-I207 HydrophobicContact CD1-CD1 4.35Å; I173-I207 HydrophobicContact CD1-CG1 4.44Å; V177-I207 HydrophobicContact CG2-CG1 3.84Å; V184-I207 HydrophobicContact CB-CD1 4.35Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å; C203-I207 WeakPolarHBondContact O-CG1 3.45Å; C203-I207 PolarHBondContact O-N 2.78Å; C203-I207 VanDerWaalsContact O-N 3.1Å; R204-I207 WeakPolarHBondContact O-CB 3.42Å; R204-I207 PolarHBondContact O-N 2.93Å; A205-I207 VanDerWaalsContact C-N 3.32Å
208E94.5Very high94.1Very high140 Ų14055.7 Ų55.765%0.65431%0.305SS*.Hα-helixtrans-81.9-32.2-177.5-71.4-179.5164.700113.9R204 K210R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 HydrophobicContact CG-CG 4.29Å; R204-E208 PolarHBondContact O-N 3.47Å; E208-K210 PolarHBondContact O-N 2.82Å
209G86.5Confident93.7Very high71 Ų7153.8 Ų53.873%0.73230%0.3SS*.  trans-74.124.6-177.800000114.6A205A205-G209 PolarHBondContact O-N 3.14Å
210K61.8Low93.3Very high150 Ų15058.4 Ų58.465%0.65232%0.324SS*.  trans-90.30-171.7-141.5-171.3-178.1-175.90113M1 V177 S180 E208M1-K210 HydrophobicContact CE-CD 4.5Å; V177-K210 HydrophobicContact CG1-CD 3.67Å; V177-K210 VanDerWaalsContact CG1-CE 3.48Å; V177-K210 HydrophobicContact CG1-CG 3.92Å; V177-K210 WeakPolarHBondContact O-CE 3.19Å; V177-K210 PolarHBondContact O-NZ 2.67Å; S180-K210 VanDerWaalsContact CB-NZ 3.29Å; S180-K210 PolarHBondContact OG-NZ 2.98Å; E208-K210 PolarHBondContact O-N 2.82Å

Retrieved 210 of 210 residues in 461.2 ms (Link to these results)

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