A0A077Z8L6_TRITR Loading...

RNA exonuclease

AlphaFold DB , UniProt , Accession A0A077Z8L6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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
1M65.3Low84.5Confident190 Ų19047.4 Ų47.494%0.93624%0.237SC*.  0157.20-84.7142.3137.200107.7D45M1-D45 WeakPolarHBondContact CB-OD2 3.22Å
2A85.9Confident82.8Confident47 Ų4744.3 Ų44.339%0.38822%0.222SC..EExtended strand (participates in β ladder)trans-72.7147.1173.200000108.5Y44 D45A2-Y44 HydrophobicContact CB-CD1 3.53Å; A2-Y44 HydrophobicContact CB-CD2 4.3Å; A2-Y44 HydrophobicContact CB-CE1 3.39Å; A2-Y44 HydrophobicContact CB-CE2 4.18Å; A2-Y44 HydrophobicContact CB-CG 4Å; A2-Y44 CarbonylContact O-C 3.29Å; A2-Y44 WeakPolarHBondContact O-CA 3.46Å; A2-D45 PolarHBondContact O-N 2.87Å
3V88.9Confident81.6Confident60 Ų6041.3 Ų41.336%0.36421%0.208SC..EExtended strand (participates in β ladder)trans-113.4129.8-176.5-178.60000108.9R5 D45 E47V3-R5 HydrophobicContact CG1-CG 4.45Å; V3-D45 CarbonylContact C-O 3.55Å; V3-D45 WeakPolarHBondContact CA-O 3.24Å; V3-E47 HydrophobicContact CG1-CB 3.55Å
4L90.5Very high81.1Confident0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-91.7109.1172.4-179.168.6000107.7A6 M35 A39 Y44 D45 L46 E47 D67 V68 F300L4-A6 PolarHBondContact O-N 3.15Å; L4-M35 HydrophobicContact CD2-CG 4.38Å; L4-M35 HydrophobicContact CD2-SD 4.05Å; L4-A39 HydrophobicContact CB-CB 4.39Å; L4-A39 HydrophobicContact CD2-CB 3.91Å; L4-Y44 HydrophobicContact CB-CD1 4.15Å; L4-Y44 HydrophobicContact CB-CG 4.41Å; L4-D45 PolarHBondContact N-O 3.35Å; L4-L46 HydrophobicContact CB-CD1 4.49Å; L4-L46 HydrophobicContact CD2-CD1 4.16Å; L4-L46 HydrophobicContact CG-CD1 4.42Å; L4-E47 PolarHBondContact O-N 3.21Å; L4-D67 HydrophobicContact CD1-CB 4Å; L4-V68 HydrophobicContact CD1-CG1 4.09Å; L4-V68 HydrophobicContact CD2-CG1 4.28Å; L4-V68 HydrophobicContact CG-CG1 4.16Å; L4-F300 HydrophobicContact CD1-CE1 4.42Å; L4-F300 HydrophobicContact CD1-CE2 3.88Å; L4-F300 HydrophobicContact CD1-CZ 3.65Å
5R93.2Very high80.8Confident93 Ų9337.3 Ų37.335%0.35119%0.188SC..EExtended strand (participates in β ladder)trans-85.398-179.7-60.5169.7-65.4158.74.2109.3V3 G64 E65 D67 V68V3-R5 HydrophobicContact CG1-CG 4.45Å; R5-G64 PolarHBondContact NH2-O 3.16Å; R5-E65 PolarHBondContact NH1-O 3.33Å; R5-E65 VanDerWaalsContact NH1-O 3.08Å; R5-D67 WeakPolarHBondContact CB-OD2 3.28Å; R5-D67 IonicContact CZ-OD1 2.89Å; R5-D67 IonicContact CZ-OD2 3.98Å; R5-D67 PolarHBondContact N-OD2 3.03Å; R5-D67 IonicContact NE-OD1 3.79Å; R5-D67 IonicContact NE-OD2 2.99Å; R5-D67 PolarHBondContact NE-OD2 2.92Å; R5-D67 VanDerWaalsContact NE-OD2 3.09Å; R5-D67 IonicContact NH2-OD1 3.49Å; R5-D67 PolarHBondContact NH2-OD1 3.26Å; R5-D67 IonicContact NH2-OD2 2.68Å; R5-D67 PolarHBondContact O-N 2.76Å; R5-V68 PolarHBondContact O-N 3.48Å
6A92.8Very high80.6Confident2 Ų236.6 Ų36.62%0.01719%0.185CC..EExtended strand (participates in β ladder)trans-89.1142.2174.500000111L4 M35 L46 E47 L48 K49 V68 A70L4-A6 PolarHBondContact O-N 3.15Å; A6-M35 HydrophobicContact CB-CG 4.19Å; A6-L46 HydrophobicContact CB-CD1 3.73Å; A6-E47 PolarHBondContact N-O 2.04Å; A6-L48 HydrophobicContact CB-CD1 3.87Å; A6-L48 WeakPolarHBondContact O-CA 3.45Å; A6-K49 PolarHBondContact O-N 2.97Å; A6-V68 WeakPolarHBondContact CA-O 3.25Å; A6-V68 HydrophobicContact CB-CG1 4.19Å; A6-A70 HydrophobicContact CB-CB 3.88Å
7I93Very high80.3Confident2 Ų243.2 Ų43.21%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-125.3138.2171.6-167.1169.5000110.6K49 V51 M57 A60 V61 A66 V68 S69 A70I7-K49 CarbonylContact C-O 3.56Å; I7-K49 VanDerWaalsContact CA-O 3.25Å; I7-K49 WeakPolarHBondContact CA-O 3.29Å; I7-K49 HydrophobicContact CD1-CD 4.2Å; I7-K49 HydrophobicContact CG1-CB 4.28Å; I7-K49 HydrophobicContact CG1-CG 4.49Å; I7-K49 WeakPolarHBondContact CG1-O 3.49Å; I7-V51 HydrophobicContact CD1-CG1 3.73Å; I7-V51 HydrophobicContact CD1-CG2 4.22Å; I7-V51 HydrophobicContact CG1-CG1 4.13Å; I7-V51 HydrophobicContact CG1-CG2 4.17Å; I7-M57 HydrophobicContact CB-CG 4.39Å; I7-M57 HydrophobicContact CG1-CG 4.17Å; I7-M57 HydrophobicContact CG2-CG 3.73Å; I7-A60 HydrophobicContact CD1-CB 3.46Å; I7-A60 VanDerWaalsContact CD1-CB 3.46Å; I7-V61 HydrophobicContact CG2-CG2 3.47Å; I7-V61 VanDerWaalsContact CG2-CG2 3.47Å; I7-A66 HydrophobicContact CB-CB 3.78Å; I7-A66 HydrophobicContact CG2-CB 3.46Å; I7-A66 VanDerWaalsContact CG2-CB 3.46Å; I7-V68 PolarHBondContact N-O 3.34Å; I7-S69 CarbonylContact O-C 3.52Å; I7-S69 VanDerWaalsContact O-CA 3.28Å; I7-S69 WeakPolarHBondContact O-CA 3.43Å; I7-A70 PolarHBondContact O-N 2.77Å
8S90.1Very high80.4Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-143.3171.6-176.8-166.10000111.9V15 K49 I50 V51 A70S8-V15 WeakPolarHBondContact OG-CG2 3.46Å; S8-K49 PolarHBondContact N-O 3.39Å; S8-I50 CarbonylContact O-C 3.15Å; S8-I50 VanDerWaalsContact O-CA 3.26Å; S8-I50 WeakPolarHBondContact O-CA 3.39Å; S8-V51 WeakPolarHBondContact O-CG2 3.49Å; S8-V51 PolarHBondContact O-N 3.41Å; S8-A70 PolarHBondContact OG-O 2.81Å
9I82.9Confident80.5Confident18 Ų1841.8 Ų41.89%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-108.5163165.458.4164.9000110V15 V51 L54 M57 F71I9-V15 WeakPolarHBondContact O-CB 3.13Å; I9-V15 VanDerWaalsContact O-CG1 3.32Å; I9-V15 WeakPolarHBondContact O-CG1 3.42Å; I9-V51 HydrophobicContact CG2-CG2 4.12Å; I9-L54 HydrophobicContact CD1-CD1 3.88Å; I9-M57 HydrophobicContact CG2-CB 4.32Å; I9-M57 HydrophobicContact CG2-SD 4.38Å; I9-F71 HydrophobicContact CD1-CD1 4.08Å; I9-F71 HydrophobicContact CD1-CE1 3.96Å; I9-F71 HydrophobicContact CD1-CE2 4.46Å; I9-F71 HydrophobicContact CD1-CG 4.37Å; I9-F71 HydrophobicContact CD1-CZ 4.15Å; I9-F71 HydrophobicContact CG1-CB 4.37Å; I9-F71 HydrophobicContact CG1-CD1 4.09Å; I9-F71 HydrophobicContact CG1-CD2 4.08Å; I9-F71 HydrophobicContact CG1-CE1 4.4Å; I9-F71 HydrophobicContact CG1-CE2 4.4Å; I9-F71 HydrophobicContact CG1-CG 3.91Å
10Y77.2Confident80.6Confident105 Ų10546 Ų4641%0.41223%0.23SC..  trans-75.2121170.8174-108.9000110.4P12 V15 K17Y10-P12 HydrophobicContact CD2-CG 4.36Å; Y10-P12 HydrophobicContact CE1-CG 3.89Å; Y10-P12 HydrophobicContact CE2-CG 3.44Å; Y10-P12 VanDerWaalsContact CE2-CG 3.44Å; Y10-P12 VanDerWaalsContact CZ-CD 3.48Å; Y10-P12 WeakPolarHBondContact OH-CG 3.48Å; Y10-V15 WeakPolarHBondContact CD2-O 3.38Å; Y10-K17 HydrophobicContact CD2-CB 4.48Å; Y10-K17 HydrophobicContact CD2-CG 3.69Å; Y10-K17 HydrophobicContact CE1-CG 4.36Å; Y10-K17 HydrophobicContact CE2-CB 4.05Å; Y10-K17 HydrophobicContact CE2-CD 4.19Å; Y10-K17 HydrophobicContact CE2-CG 3.09Å; Y10-K17 VanDerWaalsContact CE2-N 3.35Å; Y10-K17 VanDerWaalsContact CZ-CG 3.46Å; Y10-K17 VanDerWaalsContact OH-CE 3.28Å; Y10-K17 WeakPolarHBondContact OH-CE 3.22Å
11A69.2Low80.7Confident4 Ų447.1 Ų47.13%0.03324%0.237CC..BIsolated β-bridgetrans-158.782.9-178.500000110.8L14 V15 F71A11-L14 CarbonylContact O-C 3.58Å; A11-L14 WeakPolarHBondContact O-CA 3.45Å; A11-L14 VanDerWaalsContact O-CB 3.28Å; A11-L14 WeakPolarHBondContact O-CB 3.48Å; A11-L14 PolarHBondContact O-N 3.43Å; A11-V15 CarbonylContact C-O 3.56Å; A11-V15 VanDerWaalsContact C-O 3.29Å; A11-V15 PolarHBondContact N-O 3.41Å; A11-V15 VanDerWaalsContact N-O 3.12Å; A11-V15 PolarHBondContact O-N 3.04Å; A11-F71 HydrophobicContact CB-CD2 4.24Å; A11-F71 HydrophobicContact CB-CE2 3.53Å; A11-F71 HydrophobicContact CB-CZ 4.21Å
12P64.5Low81.6Confident10 Ų1039.7 Ų39.77%0.06520%0.201CC..THydrogen-bonded Turntrans-62.4147.7178-19.631000112.5Y10 L14 Y329Y10-P12 HydrophobicContact CD2-CG 4.36Å; Y10-P12 HydrophobicContact CE1-CG 3.89Å; Y10-P12 HydrophobicContact CE2-CG 3.44Å; Y10-P12 VanDerWaalsContact CE2-CG 3.44Å; Y10-P12 VanDerWaalsContact CZ-CD 3.48Å; Y10-P12 WeakPolarHBondContact OH-CG 3.48Å; P12-L14 VanDerWaalsContact C-N 3.3Å; P12-Y329 HydrophobicContact CB-CE1 4.17Å; P12-Y329 WeakPolarHBondContact CB-OH 3.37Å
13P67.2Low81.5Confident6 Ų646.2 Ų46.24%0.03922%0.223CC..THydrogen-bonded Turncis-84.74.6-6.834-35.8000113.8V15 G29 E30 M326 Y329 F330P13-V15 VanDerWaalsContact C-N 3.34Å; P13-G29 WeakPolarHBondContact O-CA 3.29Å; P13-E30 PolarHBondContact O-N 3.3Å; P13-M326 HydrophobicContact CG-CG 3.84Å; P13-Y329 HydrophobicContact CB-CD1 3.74Å; P13-Y329 HydrophobicContact CB-CD2 3.72Å; P13-Y329 HydrophobicContact CB-CE1 4.12Å; P13-Y329 HydrophobicContact CB-CE2 4.07Å; P13-Y329 HydrophobicContact CB-CG 3.53Å; P13-Y329 HydrophobicContact CG-CD1 3.93Å; P13-Y329 HydrophobicContact CG-CG 4Å; P13-F330 HydrophobicContact CG-CE2 4.02Å; P13-F330 HydrophobicContact CG-CZ 4.42Å
14L74.6Confident81.3Confident21 Ų2149.5 Ų49.511%0.1124%0.239CC..THydrogen-bonded Turntrans-65.7-40.2-179.2-66.9167.6000110.9A11 P12 G29 E30 E31 F71 T322 M326A11-L14 CarbonylContact O-C 3.58Å; A11-L14 WeakPolarHBondContact O-CA 3.45Å; A11-L14 VanDerWaalsContact O-CB 3.28Å; A11-L14 WeakPolarHBondContact O-CB 3.48Å; A11-L14 PolarHBondContact O-N 3.43Å; P12-L14 VanDerWaalsContact C-N 3.3Å; L14-G29 CarbonylContact O-C 3.5Å; L14-G29 VanDerWaalsContact O-CA 3.28Å; L14-G29 WeakPolarHBondContact O-CA 3.15Å; L14-E30 PolarHBondContact O-N 2.85Å; L14-E30 VanDerWaalsContact O-N 3.13Å; L14-E31 HydrophobicContact CB-CG 3.99Å; L14-E31 HydrophobicContact CD2-CG 3.56Å; L14-E31 HydrophobicContact CG-CG 4.32Å; L14-E31 PolarHBondContact O-N 3.46Å; L14-E31 VanDerWaalsContact O-N 3.11Å; L14-F71 HydrophobicContact CD1-CE2 3.85Å; L14-F71 HydrophobicContact CD1-CZ 4.5Å; L14-T322 HydrophobicContact CD2-CG2 4.28Å; L14-M326 HydrophobicContact CD1-CE 3.92Å; L14-M326 HydrophobicContact CD2-CE 3.25Å; L14-M326 HydrophobicContact CG-CE 3.53Å
15V77Confident81Confident1 Ų149.9 Ų49.91%0.00624%0.241CC..BIsolated β-bridgetrans-144.9111.2-178.7-171.90000110.1S8 I9 Y10 A11 P13 A19 I32 I50 F71S8-V15 WeakPolarHBondContact OG-CG2 3.46Å; I9-V15 WeakPolarHBondContact O-CB 3.13Å; I9-V15 VanDerWaalsContact O-CG1 3.32Å; I9-V15 WeakPolarHBondContact O-CG1 3.42Å; Y10-V15 WeakPolarHBondContact CD2-O 3.38Å; A11-V15 CarbonylContact C-O 3.56Å; A11-V15 VanDerWaalsContact C-O 3.29Å; A11-V15 PolarHBondContact N-O 3.41Å; A11-V15 VanDerWaalsContact N-O 3.12Å; A11-V15 PolarHBondContact O-N 3.04Å; P13-V15 VanDerWaalsContact C-N 3.34Å; V15-A19 HydrophobicContact CG1-CB 4.1Å; V15-I32 HydrophobicContact CB-CG1 4.43Å; V15-I32 HydrophobicContact CG1-CD1 4.08Å; V15-I32 HydrophobicContact CG1-CG1 4.01Å; V15-I32 HydrophobicContact CG2-CD1 4.01Å; V15-I32 HydrophobicContact CG2-CG1 4.15Å; V15-I50 HydrophobicContact CG1-CD1 3.84Å; V15-F71 HydrophobicContact CG2-CD2 4.38Å
16N77.4Confident80.4Confident26 Ų2655 Ų5514%0.13927%0.269CS..  trans-90.4159.9-176.6-69.5-25000112.4C18 A19 S27 P28N16-C18 PolarHBondContact O-N 2.88Å; N16-C18 VanDerWaalsContact O-N 3.16Å; N16-A19 WeakPolarHBondContact O-CB 3.38Å; N16-A19 PolarHBondContact O-N 2.9Å; N16-S27 PolarHBondContact ND2-O 2.68Å; N16-P28 PolarHBondContact N-O 3.13Å
17K75.4Confident79.9Confident149 Ų14958 Ų5865%0.64829%0.29SS*.G310 helixtrans-59.8-31-179.1-65.6-167.7179.2174.40112.9Y10 A19 H20Y10-K17 HydrophobicContact CD2-CB 4.48Å; Y10-K17 HydrophobicContact CD2-CG 3.69Å; Y10-K17 HydrophobicContact CE1-CG 4.36Å; Y10-K17 HydrophobicContact CE2-CB 4.05Å; Y10-K17 HydrophobicContact CE2-CD 4.19Å; Y10-K17 HydrophobicContact CE2-CG 3.09Å; Y10-K17 VanDerWaalsContact CE2-N 3.35Å; Y10-K17 VanDerWaalsContact CZ-CG 3.46Å; Y10-K17 VanDerWaalsContact OH-CE 3.28Å; Y10-K17 WeakPolarHBondContact OH-CE 3.22Å; K17-A19 PolarHBondContact O-N 3.39Å; K17-H20 PolarHBondContact O-CD2 3.04Å
18C82.6Confident79.4Confident61 Ų6158 Ų5841%0.41229%0.29SS..G310 helixtrans-71.6-11.6178.470.80000113.3N16 H20 D21 C25N16-C18 PolarHBondContact O-N 2.88Å; N16-C18 VanDerWaalsContact O-N 3.16Å; C18-H20 PolarHBondContact O-N 2.95Å; C18-D21 CarbonylContact O-C 3.42Å; C18-D21 PolarHBondContact O-N 3.24Å; C18-C25 HydrophobicContact CB-CB 3.59Å; C18-C25 WeakPolarHBondContact CB-SG 3.35Å; C18-C25 WeakPolarHBondContact O-CB 3.41Å; C18-C25 PolarHBondContact O-SG 3.42Å; C18-C25 VanDerWaalsContact O-SG 3.39Å; C18-C25 WeakPolarHBondContact SG-CB 3.36Å; C18-C25 CovalentContact SG-SG 2.04Å; C18-C25 PolarHBondContact SG-SG 3.34Å
19A82.1Confident78.9Confident0 Ų058.1 Ų58.10%029%0.291CS..G310 helixtrans-59.8-22.8-177.600000113.6V15 N16 K17 D21 L22 P28 I32 L48 I50V15-A19 HydrophobicContact CG1-CB 4.1Å; N16-A19 WeakPolarHBondContact O-CB 3.38Å; N16-A19 PolarHBondContact O-N 2.9Å; K17-A19 PolarHBondContact O-N 3.39Å; A19-D21 PolarHBondContact O-N 3.37Å; A19-L22 WeakPolarHBondContact O-CD2 3.34Å; A19-P28 HydrophobicContact CB-CB 3.98Å; A19-I32 HydrophobicContact CB-CG1 4.3Å; A19-L48 HydrophobicContact CB-CD2 3.82Å; A19-I50 HydrophobicContact CB-CD1 4.47Å
20H81.2Confident78.6Confident125 Ų12557.5 Ų57.558%0.57929%0.288SS*.G310 helixtrans-56.8-27.7170.9-75.5-88.8000113.8K17 C18 I50K17-H20 PolarHBondContact O-CD2 3.04Å; C18-H20 PolarHBondContact O-N 2.95Å; H20-I50 WeakPolarHBondContact CE1-CB 3.33Å
21D84.4Confident78.8Confident70 Ų7052.6 Ų52.637%0.37427%0.269SS..SBendtrans-119.980.1176.4-174.4-10.3000109C18 A19 E23 N24 C25C18-D21 CarbonylContact O-C 3.42Å; C18-D21 PolarHBondContact O-N 3.24Å; A19-D21 PolarHBondContact O-N 3.37Å; D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 VanDerWaalsContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 3.37Å; D21-N24 PolarHBondContact O-N 3.02Å; D21-N24 PolarHBondContact OD1-N 3.22Å; D21-N24 PolarHBondContact OD1-ND2 3.21Å; D21-N24 WeakPolarHBondContact OD2-CB 3.4Å; D21-N24 PolarHBondContact OD2-ND2 3.29Å; D21-C25 WeakPolarHBondContact O-CB 3.32Å; D21-C25 PolarHBondContact O-N 2.77Å
22L84Confident79.7Confident34 Ų3452.4 Ų52.418%0.17827%0.267CS..THydrogen-bonded Turntrans-60.4-22.7-177.5-75.8-176.5000114.1A19 P28 I32 K36 L46 L48A19-L22 WeakPolarHBondContact O-CD2 3.34Å; L22-P28 HydrophobicContact CD2-CB 3.94Å; L22-P28 HydrophobicContact CD2-CG 4.43Å; L22-I32 HydrophobicContact CD2-CG2 3.59Å; L22-K36 PolarHBondContact O-NZ 3.13Å; L22-L46 HydrophobicContact CD1-CD2 3.87Å; L22-L46 HydrophobicContact CD1-CG 4.11Å; L22-L48 HydrophobicContact CD1-CB 3.77Å; L22-L48 HydrophobicContact CD2-CD2 4.12Å; L22-L48 HydrophobicContact CG-CB 4.23Å; L22-L48 HydrophobicContact CG-CD2 4.45Å
23E82.5Confident80.7Confident184 Ų18453.4 Ų53.486%0.8627%0.272SS*.THydrogen-bonded Turntrans-76.9-37.3-179.8-65.2-174.1173.300111.3D21D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 VanDerWaalsContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 3.37Å
24N84.8Confident81.5Confident128 Ų12853.4 Ų53.468%0.68427%0.271SS*.THydrogen-bonded Turntrans-1043.3-177.4-61.2-55000114.2D21D21-N24 PolarHBondContact O-N 3.02Å; D21-N24 PolarHBondContact OD1-N 3.22Å; D21-N24 PolarHBondContact OD1-ND2 3.21Å; D21-N24 WeakPolarHBondContact OD2-CB 3.4Å; D21-N24 PolarHBondContact OD2-ND2 3.29Å
25C84.7Confident82.1Confident9 Ų952.4 Ų52.46%0.06127%0.266CS..  trans-102.4104.4-178.3179.10000111.2C18 D21 S27 P28C18-C25 HydrophobicContact CB-CB 3.59Å; C18-C25 WeakPolarHBondContact CB-SG 3.35Å; C18-C25 WeakPolarHBondContact O-CB 3.41Å; C18-C25 PolarHBondContact O-SG 3.42Å; C18-C25 VanDerWaalsContact O-SG 3.39Å; C18-C25 WeakPolarHBondContact SG-CB 3.36Å; C18-C25 CovalentContact SG-SG 2.04Å; C18-C25 PolarHBondContact SG-SG 3.34Å; D21-C25 WeakPolarHBondContact O-CB 3.32Å; D21-C25 PolarHBondContact O-N 2.77Å; C25-S27 PolarHBondContact O-N 3.24Å; C25-S27 VanDerWaalsContact SG-C 3.51Å; C25-P28 WeakPolarHBondContact SG-CA 3.37Å; C25-P28 VanDerWaalsContact SG-N 3.35Å
26E79.8Confident82.6Confident200 Ų20055.1 Ų55.194%0.93528%0.277SS*.SBendtrans-64.6-29.6177.9-65.5-174.2165.800112.6
27S82.1Confident83Confident64 Ų6455.6 Ų55.645%0.44828%0.281SS..  trans-135.981.4-178.5-170.60000111.2N16 C25 G29N16-S27 PolarHBondContact ND2-O 2.68Å; C25-S27 PolarHBondContact O-N 3.24Å; C25-S27 VanDerWaalsContact SG-C 3.51Å; S27-G29 PolarHBondContact O-N 2.86Å
28P83.1Confident83.5Confident3 Ų348.5 Ų48.52%0.01925%0.251CS..  trans-73.3-7.4-178.631.1-36.2000114N16 A19 L22 C25 I32 I33N16-P28 PolarHBondContact N-O 3.13Å; A19-P28 HydrophobicContact CB-CB 3.98Å; L22-P28 HydrophobicContact CD2-CB 3.94Å; L22-P28 HydrophobicContact CD2-CG 4.43Å; C25-P28 WeakPolarHBondContact SG-CA 3.37Å; C25-P28 VanDerWaalsContact SG-N 3.35Å; P28-I32 HydrophobicContact CB-CB 3.87Å; P28-I32 HydrophobicContact CB-CG1 4.41Å; P28-I32 HydrophobicContact CB-CG2 3.65Å; P28-I32 HydrophobicContact CG-CB 4.07Å; P28-I32 HydrophobicContact CG-CG2 3.86Å; P28-I33 HydrophobicContact CG-CG1 4.22Å
29G79.2Confident83.8Confident2 Ų245.7 Ų45.72%0.02123%0.232CC..  trans106156.8-174.300000111.7P13 L14 S27 E31 I32 I33P13-G29 WeakPolarHBondContact O-CA 3.29Å; L14-G29 CarbonylContact O-C 3.5Å; L14-G29 VanDerWaalsContact O-CA 3.28Å; L14-G29 WeakPolarHBondContact O-CA 3.15Å; S27-G29 PolarHBondContact O-N 2.86Å; G29-E31 PolarHBondContact O-N 3.14Å; G29-I32 PolarHBondContact O-N 3.12Å; G29-I33 WeakPolarHBondContact O-CG1 3.05Å; G29-I33 PolarHBondContact O-N 3.08Å
30E78.1Confident84.1Confident6 Ų652.6 Ų52.63%0.02826%0.264CS..Hα-helixtrans-66.3-37.5-168.4-71.7-71.8149.700113.5P13 L14 I32 I33 Y34 R321 T322 T325P13-E30 PolarHBondContact O-N 3.3Å; L14-E30 PolarHBondContact O-N 2.85Å; L14-E30 VanDerWaalsContact O-N 3.13Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.42Å; E30-I33 PolarHBondContact O-N 2.88Å; E30-Y34 PolarHBondContact O-N 3.4Å; E30-R321 IonicContact OE1-NE 3.94Å; E30-T322 HydrophobicContact CB-CG2 3.47Å; E30-T322 VanDerWaalsContact CB-CG2 3.47Å; E30-T322 HydrophobicContact CG-CG2 3.9Å; E30-T322 WeakPolarHBondContact OE2-CA 3.28Å; E30-T322 PolarHBondContact OE2-OG1 3.3Å; E30-T325 HydrophobicContact CG-CG2 4.06Å; E30-T325 VanDerWaalsContact OE1-CB 3.27Å; E30-T325 WeakPolarHBondContact OE1-CB 3.25Å; E30-T325 VanDerWaalsContact OE1-CG2 3.31Å; E30-T325 WeakPolarHBondContact OE1-CG2 3.46Å; E30-T325 PolarHBondContact OE1-OG1 2.92Å
31E81.1Confident84.3Confident1 Ų149.9 Ų49.91%0.00525%0.253CS..Hα-helixtrans-71.8-30.4177.1-64.4-154-170.700112.4L14 G29 Y34 M35 F71 S72 Y294L14-E31 HydrophobicContact CB-CG 3.99Å; L14-E31 HydrophobicContact CD2-CG 3.56Å; L14-E31 HydrophobicContact CG-CG 4.32Å; L14-E31 PolarHBondContact O-N 3.46Å; L14-E31 VanDerWaalsContact O-N 3.11Å; G29-E31 PolarHBondContact O-N 3.14Å; E31-Y34 WeakPolarHBondContact O-CB 3.4Å; E31-Y34 PolarHBondContact O-N 3.4Å; E31-M35 WeakPolarHBondContact O-CB 3.5Å; E31-M35 PolarHBondContact O-N 3.32Å; E31-F71 VanDerWaalsContact OE2-C 3.27Å; E31-F71 WeakPolarHBondContact OE2-CA 3.1Å; E31-S72 WeakPolarHBondContact OE1-CB 3.45Å; E31-S72 PolarHBondContact OE1-N 3.47Å; E31-S72 PolarHBondContact OE1-OG 2.94Å; E31-S72 PolarHBondContact OE2-N 2.9Å; E31-Y294 WeakPolarHBondContact OE2-CE1 3.18Å; E31-Y294 PolarHBondContact OE2-OH 3.48Å
32I87.9Confident84.4Confident0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-71.6-38.1175.2-52.9-51.1000110.5V15 A19 L22 P28 G29 E30 Y34 M35 K36 L46 L48 A70V15-I32 HydrophobicContact CB-CG1 4.43Å; V15-I32 HydrophobicContact CG1-CD1 4.08Å; V15-I32 HydrophobicContact CG1-CG1 4.01Å; V15-I32 HydrophobicContact CG2-CD1 4.01Å; V15-I32 HydrophobicContact CG2-CG1 4.15Å; A19-I32 HydrophobicContact CB-CG1 4.3Å; L22-I32 HydrophobicContact CD2-CG2 3.59Å; P28-I32 HydrophobicContact CB-CB 3.87Å; P28-I32 HydrophobicContact CB-CG1 4.41Å; P28-I32 HydrophobicContact CB-CG2 3.65Å; P28-I32 HydrophobicContact CG-CB 4.07Å; P28-I32 HydrophobicContact CG-CG2 3.86Å; G29-I32 PolarHBondContact O-N 3.12Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.42Å; I32-Y34 VanDerWaalsContact C-N 3.34Å; I32-M35 PolarHBondContact O-N 3.45Å; I32-K36 WeakPolarHBondContact O-CG 3.18Å; I32-K36 PolarHBondContact O-N 3.31Å; I32-L46 HydrophobicContact CG2-CD2 4.49Å; I32-L48 HydrophobicContact CD1-CD1 3.88Å; I32-L48 HydrophobicContact CD1-CD2 3.58Å; I32-L48 HydrophobicContact CD1-CG 4.41Å; I32-L48 HydrophobicContact CG1-CD2 4.01Å; I32-L48 HydrophobicContact CG2-CD2 3.93Å; I32-A70 HydrophobicContact CD1-CB 3.9Å
33I85.1Confident84.6Confident31 Ų3148.5 Ų48.516%0.15926%0.259CS..Hα-helixtrans-61.4-44.7171.6-67.8166.2000110.2P28 G29 E30 M35 K36 V37 L318P28-I33 HydrophobicContact CG-CG1 4.22Å; G29-I33 WeakPolarHBondContact O-CG1 3.05Å; G29-I33 PolarHBondContact O-N 3.08Å; E30-I33 PolarHBondContact O-N 2.88Å; I33-M35 VanDerWaalsContact C-N 3.35Å; I33-M35 PolarHBondContact O-N 3.01Å; I33-K36 PolarHBondContact O-N 3.33Å; I33-V37 PolarHBondContact O-N 3.47Å; I33-V37 VanDerWaalsContact O-N 3.13Å; I33-L318 HydrophobicContact CG2-CD2 4.3Å
34Y83.7Confident85.1Confident6 Ų641.6 Ų41.62%0.02423%0.225CC..Hα-helixtrans-57.1-48.5174.7-177.1-85.4000111.2E30 E31 I32 K36 V37 V38 M86 F88 Y294 L315 L318E30-Y34 PolarHBondContact O-N 3.4Å; E31-Y34 WeakPolarHBondContact O-CB 3.4Å; E31-Y34 PolarHBondContact O-N 3.4Å; I32-Y34 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 3.48Å; Y34-V37 PolarHBondContact O-N 2.88Å; Y34-V38 HydrophobicContact CD1-CG2 3.94Å; Y34-V38 HydrophobicContact CE1-CG2 3.63Å; Y34-V38 WeakPolarHBondContact O-CG2 3.23Å; Y34-V38 PolarHBondContact O-N 3.44Å; Y34-M86 HydrophobicContact CE1-CE 4.32Å; Y34-F88 HydrophobicContact CD1-CD2 4.48Å; Y34-F88 HydrophobicContact CD1-CE2 4.48Å; Y34-F88 HydrophobicContact CD2-CD2 4.3Å; Y34-F88 AromaticContact CD2-CE2 3.8Å; Y34-F88 HydrophobicContact CD2-CE2 3.8Å; Y34-F88 HydrophobicContact CE1-CD2 4.22Å; Y34-F88 AromaticContact CE2-CD2 3.97Å; Y34-F88 HydrophobicContact CE2-CD2 3.97Å; Y34-F88 AromaticContact CE2-CE2 3.86Å; Y34-F88 HydrophobicContact CE2-CE2 3.86Å; Y34-F88 HydrophobicContact CG-CE2 4.11Å; Y34-F88 AromaticContact CZ-CD2 3.93Å; Y34-Y294 AromaticContact CD1-CE2 3.77Å; Y34-Y294 HydrophobicContact CD1-CE2 3.77Å; Y34-Y294 AromaticContact CD1-CZ 3.97Å; Y34-Y294 HydrophobicContact CE1-CD2 4.33Å; Y34-Y294 AromaticContact CE1-CE2 3.45Å; Y34-Y294 HydrophobicContact CE1-CE2 3.45Å; Y34-Y294 VanDerWaalsContact CE1-CE2 3.45Å; Y34-L315 HydrophobicContact CD2-CD2 4.34Å; Y34-L315 HydrophobicContact CE2-CB 3.8Å; Y34-L315 HydrophobicContact CE2-CD1 4.25Å; Y34-L315 HydrophobicContact CE2-CD2 3.94Å; Y34-L315 HydrophobicContact CE2-CG 4.2Å; Y34-L315 WeakPolarHBondContact OH-CD1 3.37Å; Y34-L318 HydrophobicContact CD2-CB 4.46Å
35M87.3Confident85.4Confident0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-66.9-34-179.3-161.960.369.400112.9L4 A6 E31 I32 I33 V38 A39 L46 V68 S69 A70 Y294L4-M35 HydrophobicContact CD2-CG 4.38Å; L4-M35 HydrophobicContact CD2-SD 4.05Å; A6-M35 HydrophobicContact CB-CG 4.19Å; E31-M35 WeakPolarHBondContact O-CB 3.5Å; E31-M35 PolarHBondContact O-N 3.32Å; I32-M35 PolarHBondContact O-N 3.45Å; I33-M35 VanDerWaalsContact C-N 3.35Å; I33-M35 PolarHBondContact O-N 3.01Å; M35-V38 PolarHBondContact O-N 3.39Å; M35-V38 HydrophobicContact SD-CB 4.35Å; M35-V38 HydrophobicContact SD-CG1 4.4Å; M35-A39 WeakPolarHBondContact O-CB 3.38Å; M35-A39 PolarHBondContact O-N 3.32Å; M35-L46 HydrophobicContact CB-CD2 4.45Å; M35-L46 HydrophobicContact CG-CD1 3.74Å; M35-V68 HydrophobicContact CE-CG1 3.96Å; M35-V68 HydrophobicContact CE-CG2 3.76Å; M35-V68 HydrophobicContact SD-CG1 3.77Å; M35-V68 HydrophobicContact SD-CG2 4.36Å; M35-S69 WeakPolarHBondContact CE-O 3.49Å; M35-A70 HydrophobicContact CB-CB 4.23Å; M35-A70 HydrophobicContact CE-CB 4Å; M35-A70 HydrophobicContact CG-CB 4.11Å; M35-Y294 HydrophobicContact CE-CD1 4.12Å; M35-Y294 HydrophobicContact CE-CD2 4.46Å; M35-Y294 HydrophobicContact CE-CE1 4.16Å; M35-Y294 HydrophobicContact CE-CG 4.24Å
36K87.9Confident85.6Confident58 Ų5840.6 Ų40.625%0.25222%0.219SC..Hα-helixtrans-58.9-47.5171.7-79.2-176.9175.9-171.30111L22 I32 I33 Y34 V38 A39 E40 L46L22-K36 PolarHBondContact O-NZ 3.13Å; I32-K36 WeakPolarHBondContact O-CG 3.18Å; I32-K36 PolarHBondContact O-N 3.31Å; I33-K36 PolarHBondContact O-N 3.33Å; Y34-K36 PolarHBondContact O-N 3.48Å; K36-V38 VanDerWaalsContact C-N 3.33Å; K36-V38 PolarHBondContact O-N 2.93Å; K36-A39 PolarHBondContact O-N 3.21Å; K36-E40 WeakPolarHBondContact O-CG 3.5Å; K36-E40 PolarHBondContact O-N 2.87Å; K36-L46 HydrophobicContact CB-CD2 4.31Å; K36-L46 HydrophobicContact CG-CD2 3.44Å; K36-L46 VanDerWaalsContact CG-CD2 3.44Å
37V86.3Confident86.2Confident37 Ų3736.6 Ų36.622%0.22420%0.2CC..Hα-helixtrans-64.6-39178.2175.40000111.4I33 Y34 E40 L41 L315 L318I33-V37 PolarHBondContact O-N 3.47Å; I33-V37 VanDerWaalsContact O-N 3.13Å; Y34-V37 PolarHBondContact O-N 2.88Å; V37-E40 PolarHBondContact O-N 3.32Å; V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 HydrophobicContact CG1-CG 4.32Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 VanDerWaalsContact O-CG 3.24Å; V37-L41 WeakPolarHBondContact O-CG 3.35Å; V37-L41 PolarHBondContact O-N 2.91Å; V37-L315 HydrophobicContact CG1-CD2 4.04Å; V37-L318 HydrophobicContact CB-CD1 3.81Å; V37-L318 HydrophobicContact CG1-CD1 3.83Å; V37-L318 HydrophobicContact CG2-CD1 3.73Å
38V86.3Confident86.7Confident0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-61.5-44.6174.5172.30000111.5Y34 M35 K36 L41 L42 M86 L306 L315Y34-V38 HydrophobicContact CD1-CG2 3.94Å; Y34-V38 HydrophobicContact CE1-CG2 3.63Å; Y34-V38 WeakPolarHBondContact O-CG2 3.23Å; Y34-V38 PolarHBondContact O-N 3.44Å; M35-V38 PolarHBondContact O-N 3.39Å; M35-V38 HydrophobicContact SD-CB 4.35Å; M35-V38 HydrophobicContact SD-CG1 4.4Å; K36-V38 VanDerWaalsContact C-N 3.33Å; K36-V38 PolarHBondContact O-N 2.93Å; V38-L41 PolarHBondContact O-N 2.78Å; V38-L42 HydrophobicContact CG1-CD1 4.21Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 2.79Å; V38-L42 VanDerWaalsContact O-N 3.15Å; V38-M86 HydrophobicContact CG1-CE 4.25Å; V38-M86 HydrophobicContact CG2-CE 4.12Å; V38-L306 HydrophobicContact CG1-CD1 3.43Å; V38-L306 VanDerWaalsContact CG1-CD1 3.43Å; V38-L315 HydrophobicContact CG2-CD1 4.04Å; V38-L315 HydrophobicContact CG2-CD2 4Å
39A88.5Confident87.1Confident2 Ų240 Ų402%0.01721%0.207CC..Hα-helixtrans-61.7-46.2176.900000111.6L4 M35 K36 L41 L42 G43 Y44 L46L4-A39 HydrophobicContact CB-CB 4.39Å; L4-A39 HydrophobicContact CD2-CB 3.91Å; M35-A39 WeakPolarHBondContact O-CB 3.38Å; M35-A39 PolarHBondContact O-N 3.32Å; K36-A39 PolarHBondContact O-N 3.21Å; A39-L41 PolarHBondContact O-N 3Å; A39-L42 PolarHBondContact O-N 3.01Å; A39-L42 VanDerWaalsContact O-N 3.16Å; A39-G43 PolarHBondContact O-N 3.25Å; A39-Y44 CarbonylContact C-O 3.52Å; A39-Y44 PolarHBondContact O-N 2.91Å; A39-L46 HydrophobicContact CB-CB 4.08Å; A39-L46 HydrophobicContact CB-CD1 4.41Å
40E87.3Confident87.5Confident145 Ų14541 Ų4168%0.67821%0.212SC*.Hα-helixtrans-59-44.4177-74.4176.7-174.600112.2K36 V37 L42 G43K36-E40 WeakPolarHBondContact O-CG 3.5Å; K36-E40 PolarHBondContact O-N 2.87Å; V37-E40 PolarHBondContact O-N 3.32Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.26Å; E40-G43 PolarHBondContact O-N 3.09Å
41L86.5Confident87.9Confident68 Ų6841.5 Ų41.536%0.35622%0.215SC..Hα-helixtrans-64.8-29.6178.3-72.5172.5000112.9V37 V38 A39 L309 L315V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 HydrophobicContact CG1-CG 4.32Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 VanDerWaalsContact O-CG 3.24Å; V37-L41 WeakPolarHBondContact O-CG 3.35Å; V37-L41 PolarHBondContact O-N 2.91Å; V38-L41 PolarHBondContact O-N 2.78Å; A39-L41 PolarHBondContact O-N 3Å; L41-L309 HydrophobicContact CB-CD1 4Å; L41-L309 HydrophobicContact CB-CD2 4.3Å; L41-L309 HydrophobicContact CD1-CD2 4.31Å; L41-L315 HydrophobicContact CD1-CD2 4.37Å
42L86.9Confident87.6Confident22 Ų2248.8 Ų48.812%0.11526%0.255CS..Hα-helixtrans-83.4-12.8174.3-68.9173.6000113V38 A39 E40 Y44 F300 Q302 M305 L306 L309V38-L42 HydrophobicContact CG1-CD1 4.21Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 2.79Å; V38-L42 VanDerWaalsContact O-N 3.15Å; A39-L42 PolarHBondContact O-N 3.01Å; A39-L42 VanDerWaalsContact O-N 3.16Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.26Å; L42-Y44 HydrophobicContact CB-CD2 3.53Å; L42-Y44 HydrophobicContact CB-CE2 4.02Å; L42-Y44 HydrophobicContact CB-CG 4.39Å; L42-Y44 VanDerWaalsContact O-CD2 3.29Å; L42-Y44 WeakPolarHBondContact O-CD2 3.48Å; L42-F300 HydrophobicContact CD1-CE1 4.49Å; L42-Q302 HydrophobicContact CD2-CB 4.44Å; L42-M305 HydrophobicContact CD2-CB 4.13Å; L42-M305 HydrophobicContact CD2-CG 3.73Å; L42-M305 HydrophobicContact CD2-SD 3.68Å; L42-L306 HydrophobicContact CD1-CD1 3.68Å; L42-L309 HydrophobicContact CD2-CD1 3.47Å; L42-L309 VanDerWaalsContact CD2-CD1 3.47Å; L42-L309 HydrophobicContact CG-CD1 3.68Å
43G88.2Confident87.2Confident53 Ų5351.8 Ų51.855%0.54627%0.273SS..THydrogen-bonded Turntrans76.230.6-172.800000113.8A39 E40A39-G43 PolarHBondContact O-N 3.25Å; E40-G43 PolarHBondContact O-N 3.09Å
44Y91.3Very high86.9Confident39 Ų3952 Ų5215%0.15327%0.274CS..EExtended strand (participates in β ladder)trans-109.1149.5179.5-74.8-120.7000110.5A2 L4 A39 L42 F300 Q302A2-Y44 HydrophobicContact CB-CD1 3.53Å; A2-Y44 HydrophobicContact CB-CD2 4.3Å; A2-Y44 HydrophobicContact CB-CE1 3.39Å; A2-Y44 HydrophobicContact CB-CE2 4.18Å; A2-Y44 HydrophobicContact CB-CG 4Å; A2-Y44 CarbonylContact O-C 3.29Å; A2-Y44 WeakPolarHBondContact O-CA 3.46Å; L4-Y44 HydrophobicContact CB-CD1 4.15Å; L4-Y44 HydrophobicContact CB-CG 4.41Å; A39-Y44 CarbonylContact C-O 3.52Å; A39-Y44 PolarHBondContact O-N 2.91Å; L42-Y44 HydrophobicContact CB-CD2 3.53Å; L42-Y44 HydrophobicContact CB-CE2 4.02Å; L42-Y44 HydrophobicContact CB-CG 4.39Å; L42-Y44 VanDerWaalsContact O-CD2 3.29Å; L42-Y44 WeakPolarHBondContact O-CD2 3.48Å; Y44-F300 HydrophobicContact CE1-CE2 4.31Å; Y44-F300 HydrophobicContact CE1-CZ 4.33Å; Y44-Q302 HydrophobicContact CE2-CG 4.25Å; Y44-Q302 WeakPolarHBondContact OH-CG 3.42Å
45D91.2Very high86.9Confident81 Ų8155.9 Ų55.943%0.43330%0.295SS..EExtended strand (participates in β ladder)trans-80.5146.2162.7-62.4-35.5000109.1M1 A2 V3 L4M1-D45 WeakPolarHBondContact CB-OD2 3.22Å; A2-D45 PolarHBondContact O-N 2.87Å; V3-D45 CarbonylContact C-O 3.55Å; V3-D45 WeakPolarHBondContact CA-O 3.24Å; L4-D45 PolarHBondContact N-O 3.35Å
46L90.7Very high86.8Confident35 Ų3560.5 Ų60.518%0.18332%0.317CS..EExtended strand (participates in β ladder)trans-95.2123.5178.6-176.570.2000110.9L4 A6 L22 I32 M35 K36 A39L4-L46 HydrophobicContact CB-CD1 4.49Å; L4-L46 HydrophobicContact CD2-CD1 4.16Å; L4-L46 HydrophobicContact CG-CD1 4.42Å; A6-L46 HydrophobicContact CB-CD1 3.73Å; L22-L46 HydrophobicContact CD1-CD2 3.87Å; L22-L46 HydrophobicContact CD1-CG 4.11Å; I32-L46 HydrophobicContact CG2-CD2 4.49Å; M35-L46 HydrophobicContact CB-CD2 4.45Å; M35-L46 HydrophobicContact CG-CD1 3.74Å; K36-L46 HydrophobicContact CB-CD2 4.31Å; K36-L46 HydrophobicContact CG-CD2 3.44Å; K36-L46 VanDerWaalsContact CG-CD2 3.44Å; A39-L46 HydrophobicContact CB-CB 4.08Å; A39-L46 HydrophobicContact CB-CD1 4.41Å
47E91.7Very high86.8Confident116 Ų11657.7 Ų57.754%0.54231%0.305SS..EExtended strand (participates in β ladder)trans-110.3125.5166.6-176.2-179.9179.800108.6V3 L4 A6V3-E47 HydrophobicContact CG1-CB 3.55Å; L4-E47 PolarHBondContact O-N 3.21Å; A6-E47 PolarHBondContact N-O 2.04Å
48L91.9Very high86.9Confident23 Ų2356 Ų5612%0.1230%0.295CS..EExtended strand (participates in β ladder)trans-114.4126.2-177.5-177.467.3000111.2A6 A19 L22 I32 I50 A70A6-L48 HydrophobicContact CB-CD1 3.87Å; A6-L48 WeakPolarHBondContact O-CA 3.45Å; A19-L48 HydrophobicContact CB-CD2 3.82Å; L22-L48 HydrophobicContact CD1-CB 3.77Å; L22-L48 HydrophobicContact CD2-CD2 4.12Å; L22-L48 HydrophobicContact CG-CB 4.23Å; L22-L48 HydrophobicContact CG-CD2 4.45Å; I32-L48 HydrophobicContact CD1-CD1 3.88Å; I32-L48 HydrophobicContact CD1-CD2 3.58Å; I32-L48 HydrophobicContact CD1-CG 4.41Å; I32-L48 HydrophobicContact CG1-CD2 4.01Å; I32-L48 HydrophobicContact CG2-CD2 3.93Å; L48-I50 HydrophobicContact CD1-CD1 4.23Å; L48-I50 HydrophobicContact CD2-CD1 3.78Å; L48-I50 HydrophobicContact CG-CD1 3.87Å; L48-A70 HydrophobicContact CD1-CB 4.07Å
49K92.1Very high87Confident114 Ų11459.5 Ų59.550%0.49632%0.319SS..EExtended strand (participates in β ladder)trans-108.8128.6168.7-175.6-178.6178-171.90109.2A6 I7 S8 V51A6-K49 PolarHBondContact O-N 2.97Å; I7-K49 CarbonylContact C-O 3.56Å; I7-K49 VanDerWaalsContact CA-O 3.25Å; I7-K49 WeakPolarHBondContact CA-O 3.29Å; I7-K49 HydrophobicContact CD1-CD 4.2Å; I7-K49 HydrophobicContact CG1-CB 4.28Å; I7-K49 HydrophobicContact CG1-CG 4.49Å; I7-K49 WeakPolarHBondContact CG1-O 3.49Å; S8-K49 PolarHBondContact N-O 3.39Å; K49-V51 HydrophobicContact CG-CG1 4.45Å
50I86.9Confident87.1Confident24 Ų2459.7 Ų59.712%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-101.6135.8170.5-48.4-62.7000108.7S8 V15 A19 H20 L48S8-I50 CarbonylContact O-C 3.15Å; S8-I50 VanDerWaalsContact O-CA 3.26Å; S8-I50 WeakPolarHBondContact O-CA 3.39Å; V15-I50 HydrophobicContact CG1-CD1 3.84Å; A19-I50 HydrophobicContact CB-CD1 4.47Å; H20-I50 WeakPolarHBondContact CE1-CB 3.33Å; L48-I50 HydrophobicContact CD1-CD1 4.23Å; L48-I50 HydrophobicContact CD2-CD1 3.78Å; L48-I50 HydrophobicContact CG-CD1 3.87Å
51V86.9Confident87.3Confident16 Ų1652.8 Ų52.810%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-120166.9175.6-67.10000111.1I7 S8 I9 K49 E56 M57I7-V51 HydrophobicContact CD1-CG1 3.73Å; I7-V51 HydrophobicContact CD1-CG2 4.22Å; I7-V51 HydrophobicContact CG1-CG1 4.13Å; I7-V51 HydrophobicContact CG1-CG2 4.17Å; S8-V51 WeakPolarHBondContact O-CG2 3.49Å; S8-V51 PolarHBondContact O-N 3.41Å; I9-V51 HydrophobicContact CG2-CG2 4.12Å; K49-V51 HydrophobicContact CG-CG1 4.45Å; V51-E56 HydrophobicContact CB-CB 4.21Å; V51-E56 HydrophobicContact CG2-CB 4.16Å; V51-M57 HydrophobicContact CG2-CB 3.73Å; V51-M57 HydrophobicContact CG2-CG 4.5Å
52D76Confident87.4Confident155 Ų15553.1 Ų53.183%0.82929%0.29SS*.SBendtrans-80.7-28.6-172.7-66.5-26.1000112.3
53T78.4Confident87.5Confident62 Ų6255.5 Ų55.538%0.3831%0.312SS..  trans-131.9152.7-174.169.60000113.6D55 E56 M57T53-D55 VanDerWaalsContact C-N 3.27Å; T53-D55 PolarHBondContact O-N 3.06Å; T53-E56 PolarHBondContact O-N 3.05Å; T53-E56 WeakPolarHBondContact OG1-CB 3.45Å; T53-E56 VanDerWaalsContact OG1-CG 3.25Å; T53-E56 WeakPolarHBondContact OG1-CG 3.44Å; T53-E56 PolarHBondContact OG1-N 3.22Å; T53-M57 PolarHBondContact O-N 3.07Å; T53-M57 VanDerWaalsContact O-N 3.16Å
54L78.5Confident87.5Confident36 Ų3653.9 Ų53.919%0.18830%0.296CS..Hα-helixtrans-61.6-36.6175.7-160.485.8000112.3I9 M57 L58 F71 L73 R77I9-L54 HydrophobicContact CD1-CD1 3.88Å; L54-M57 HydrophobicContact CD1-CE 3.67Å; L54-M57 HydrophobicContact CG-CE 4.19Å; L54-M57 WeakPolarHBondContact O-CB 3.46Å; L54-M57 PolarHBondContact O-N 2.91Å; L54-L58 HydrophobicContact CD2-CD1 3.95Å; L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.43Å; L54-F71 HydrophobicContact CD1-CD1 3.92Å; L54-F71 HydrophobicContact CD1-CE1 4.14Å; L54-L73 HydrophobicContact CD1-CD1 4.22Å; L54-L73 HydrophobicContact CD1-CD2 3.7Å; L54-L73 HydrophobicContact CD1-CG 4.36Å; L54-L73 HydrophobicContact CD2-CD1 4.14Å; L54-L73 HydrophobicContact CD2-CD2 3.73Å; L54-L73 HydrophobicContact CG-CD1 4.32Å; L54-L73 HydrophobicContact CG-CD2 4.23Å; L54-R77 HydrophobicContact CD2-CG 4.32Å
55D83.3Confident87.5Confident87 Ų8757.9 Ų57.947%0.46532%0.316SS..Hα-helixtrans-68.5-37.8-178.8-68.1-17000111.5T53 S59 R77T53-D55 VanDerWaalsContact C-N 3.27Å; T53-D55 PolarHBondContact O-N 3.06Å; D55-S59 WeakPolarHBondContact O-CB 3.38Å; D55-S59 PolarHBondContact O-N 2.94Å; D55-S59 PolarHBondContact O-OG 3.18Å; D55-R77 IonicContact OD1-CZ 2.62Å; D55-R77 IonicContact OD1-NH2 2.77Å; D55-R77 PolarHBondContact OD1-NH2 3.11Å
56E86.2Confident87.6Confident97 Ų9754.2 Ų54.245%0.45330%0.297SS..Hα-helixtrans-63.6-42.1171.4-76.5174.4-177.800111.5V51 T53 S59 A60V51-E56 HydrophobicContact CB-CB 4.21Å; V51-E56 HydrophobicContact CG2-CB 4.16Å; T53-E56 PolarHBondContact O-N 3.05Å; T53-E56 WeakPolarHBondContact OG1-CB 3.45Å; T53-E56 VanDerWaalsContact OG1-CG 3.25Å; T53-E56 WeakPolarHBondContact OG1-CG 3.44Å; T53-E56 PolarHBondContact OG1-N 3.22Å; E56-S59 PolarHBondContact O-N 3Å; E56-A60 WeakPolarHBondContact O-CB 3.27Å; E56-A60 PolarHBondContact O-N 3.25Å
57M88.8Confident87.6Confident0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-60-51.6178.3-174.3-169.669.900111I7 I9 V51 T53 L54 A60 V61 F71 L73I7-M57 HydrophobicContact CB-CG 4.39Å; I7-M57 HydrophobicContact CG1-CG 4.17Å; I7-M57 HydrophobicContact CG2-CG 3.73Å; I9-M57 HydrophobicContact CG2-CB 4.32Å; I9-M57 HydrophobicContact CG2-SD 4.38Å; V51-M57 HydrophobicContact CG2-CB 3.73Å; V51-M57 HydrophobicContact CG2-CG 4.5Å; T53-M57 PolarHBondContact O-N 3.07Å; T53-M57 VanDerWaalsContact O-N 3.16Å; L54-M57 HydrophobicContact CD1-CE 3.67Å; L54-M57 HydrophobicContact CG-CE 4.19Å; L54-M57 WeakPolarHBondContact O-CB 3.46Å; L54-M57 PolarHBondContact O-N 2.91Å; M57-A60 PolarHBondContact O-N 3.47Å; M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.35Å; M57-F71 HydrophobicContact CE-CB 4.15Å; M57-F71 HydrophobicContact CE-CD1 4.46Å; M57-F71 HydrophobicContact SD-CB 3.72Å; M57-L73 HydrophobicContact CE-CD1 3.84Å; M57-L73 HydrophobicContact CE-CG 4.49Å
58L86.9Confident87.6Confident2 Ų247.7 Ų47.71%0.0127%0.266CS..Hα-helixtrans-64.9-44.1-180-73.2166.9000111.7L54 A60 V61 L62 L73 L78 E81 C295L54-L58 HydrophobicContact CD2-CD1 3.95Å; L54-L58 HydrophobicContact CG-CD1 4.12Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.43Å; L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.17Å; L58-V61 PolarHBondContact O-N 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.31Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 3.07Å; L58-L73 HydrophobicContact CD1-CD1 3.96Å; L58-L73 HydrophobicContact CD2-CD1 3.68Å; L58-L73 HydrophobicContact CG-CD1 4.07Å; L58-L78 HydrophobicContact CD2-CD2 3.94Å; L58-E81 HydrophobicContact CD1-CG 4.25Å; L58-C295 HydrophobicContact CD2-CB 3.91Å
59S88.5Confident87.5Confident72 Ų7246.6 Ų46.650%0.50326%0.26SS..Hα-helixtrans-58.7-40.7177.9-63.10000112D55 E56 L62 A63D55-S59 WeakPolarHBondContact O-CB 3.38Å; D55-S59 PolarHBondContact O-N 2.94Å; D55-S59 PolarHBondContact O-OG 3.18Å; E56-S59 PolarHBondContact O-N 3Å; S59-L62 PolarHBondContact O-N 3.03Å; S59-A63 WeakPolarHBondContact O-CB 3.27Å; S59-A63 PolarHBondContact O-N 3.27Å
60A91.4Very high87.3Confident6 Ų641.2 Ų41.25%0.0524%0.237CC..Hα-helixtrans-67.3-38.7178.600000113I7 E56 M57 L58 G64 E65 A66I7-A60 HydrophobicContact CD1-CB 3.46Å; I7-A60 VanDerWaalsContact CD1-CB 3.46Å; E56-A60 WeakPolarHBondContact O-CB 3.27Å; E56-A60 PolarHBondContact O-N 3.25Å; M57-A60 PolarHBondContact O-N 3.47Å; L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.17Å; A60-G64 PolarHBondContact O-N 3.43Å; A60-G64 VanDerWaalsContact O-N 3.16Å; A60-E65 HydrophobicContact CB-CB 4.24Å; A60-E65 PolarHBondContact O-N 3.08Å; A60-A66 PolarHBondContact O-N 3.14Å
61V90.5Very high87Confident0 Ų041 Ų410%024%0.235CC..Hα-helixtrans-67.1-44.1175.1179.40000110.7I7 M57 L58 G64 A66 C295 N297I7-V61 HydrophobicContact CG2-CG2 3.47Å; I7-V61 VanDerWaalsContact CG2-CG2 3.47Å; M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.35Å; L58-V61 PolarHBondContact O-N 3.27Å; V61-G64 PolarHBondContact O-N 3.36Å; V61-G64 VanDerWaalsContact O-N 3.12Å; V61-A66 HydrophobicContact CG2-CB 4.09Å; V61-C295 HydrophobicContact CG1-CB 4.39Å; V61-C295 VanDerWaalsContact CG1-SG 3.55Å; V61-N297 HydrophobicContact CG1-CB 4.28Å
62L89Confident86.6Confident75 Ų7540.6 Ų40.639%0.39323%0.233SC..Hα-helixtrans-66.9-36.6179.8-68.3174.9000112.7L58 S59 G64 E81 C83L58-L62 WeakPolarHBondContact O-CB 3.31Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 3.07Å; S59-L62 PolarHBondContact O-N 3.03Å; L62-G64 PolarHBondContact O-N 2.91Å; L62-E81 HydrophobicContact CD1-CB 4.38Å; L62-C83 HydrophobicContact CD2-CB 4.18Å
63A90Very high86.6Confident72 Ų7233.9 Ų33.960%0.59520%0.197SC*.Hα-helixtrans-73.9-12.917400000113.2S59 E65S59-A63 WeakPolarHBondContact O-CB 3.27Å; S59-A63 PolarHBondContact O-N 3.27Å; A63-E65 VanDerWaalsContact C-N 3.34Å; A63-E65 HydrophobicContact CB-CG 4.21Å
64G87.9Confident86.3Confident19 Ų1931.1 Ų31.120%0.19618%0.18CC..THydrogen-bonded Turntrans76.217.8-177.900000115.6R5 A60 V61 L62 A66 N297R5-G64 PolarHBondContact NH2-O 3.16Å; A60-G64 PolarHBondContact O-N 3.43Å; A60-G64 VanDerWaalsContact O-N 3.16Å; V61-G64 PolarHBondContact O-N 3.36Å; V61-G64 VanDerWaalsContact O-N 3.12Å; L62-G64 PolarHBondContact O-N 2.91Å; G64-A66 VanDerWaalsContact C-N 3.29Å; G64-N297 WeakPolarHBondContact CA-ND2 3.41Å
65E91.5Very high85.9Confident123 Ų12330.3 Ų30.358%0.57518%0.179SC*.SBendtrans-69-32.8168.6-60.9-174.9178.800111.3R5 A60 A63R5-E65 PolarHBondContact NH1-O 3.33Å; R5-E65 VanDerWaalsContact NH1-O 3.08Å; A60-E65 HydrophobicContact CB-CB 4.24Å; A60-E65 PolarHBondContact O-N 3.08Å; A63-E65 VanDerWaalsContact C-N 3.34Å; A63-E65 HydrophobicContact CB-CG 4.21Å
66A91.9Very high85.1Confident5 Ų527.9 Ų27.94%0.04117%0.169CC..SBendtrans-118155.3170.400000110.9I7 A60 V61 G64I7-A66 HydrophobicContact CB-CB 3.78Å; I7-A66 HydrophobicContact CG2-CB 3.46Å; I7-A66 VanDerWaalsContact CG2-CB 3.46Å; A60-A66 PolarHBondContact O-N 3.14Å; V61-A66 HydrophobicContact CG2-CB 4.09Å; G64-A66 VanDerWaalsContact C-N 3.29Å
67D91.7Very high84.2Confident14 Ų1425.3 Ų25.38%0.07516%0.155CC..SBendtrans-88.7-35.2179.4-59.5-48.1000111.4L4 R5 N297 F300L4-D67 HydrophobicContact CD1-CB 4Å; R5-D67 WeakPolarHBondContact CB-OD2 3.28Å; R5-D67 IonicContact CZ-OD1 2.89Å; R5-D67 IonicContact CZ-OD2 3.98Å; R5-D67 PolarHBondContact N-OD2 3.03Å; R5-D67 IonicContact NE-OD1 3.79Å; R5-D67 IonicContact NE-OD2 2.99Å; R5-D67 PolarHBondContact NE-OD2 2.92Å; R5-D67 VanDerWaalsContact NE-OD2 3.09Å; R5-D67 IonicContact NH2-OD1 3.49Å; R5-D67 PolarHBondContact NH2-OD1 3.26Å; R5-D67 IonicContact NH2-OD2 2.68Å; R5-D67 PolarHBondContact O-N 2.76Å; D67-N297 PolarHBondContact O-N 2.83Å; D67-F300 HydrophobicContact CB-CD2 3.82Å; D67-F300 HydrophobicContact CB-CE2 4.05Å
68V91.1Very high83.5Confident0 Ų025.3 Ų25.30%016%0.155CC..EExtended strand (participates in β ladder)trans-150.7147-175.665.20000111.8L4 R5 A6 I7 M35 C295 V296L4-V68 HydrophobicContact CD1-CG1 4.09Å; L4-V68 HydrophobicContact CD2-CG1 4.28Å; L4-V68 HydrophobicContact CG-CG1 4.16Å; R5-V68 PolarHBondContact O-N 3.48Å; A6-V68 WeakPolarHBondContact CA-O 3.25Å; A6-V68 HydrophobicContact CB-CG1 4.19Å; I7-V68 PolarHBondContact N-O 3.34Å; M35-V68 HydrophobicContact CE-CG1 3.96Å; M35-V68 HydrophobicContact CE-CG2 3.76Å; M35-V68 HydrophobicContact SD-CG1 3.77Å; M35-V68 HydrophobicContact SD-CG2 4.36Å; V68-C295 CarbonylContact C-O 3.5Å; V68-C295 WeakPolarHBondContact CA-O 3.4Å; V68-V296 HydrophobicContact CG2-CG2 4.04Å
69S90.3Very high82.7Confident0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-76.8126.7164.271.50000109I7 M35 F71 Y294 C295I7-S69 CarbonylContact O-C 3.52Å; I7-S69 VanDerWaalsContact O-CA 3.28Å; I7-S69 WeakPolarHBondContact O-CA 3.43Å; M35-S69 WeakPolarHBondContact CE-O 3.49Å; S69-F71 PolarHBondContact O-N 3.39Å; S69-F71 PolarHBondContact OG-O 3.38Å; S69-Y294 WeakPolarHBondContact O-CD1 3.32Å; S69-C295 PolarHBondContact N-O 2.87Å; S69-C295 PolarHBondContact OG-N 3.07Å
70A87.3Confident81.8Confident0 Ų031.2 Ų31.20%019%0.186CC..SBendtrans-94.229.6169.100000111.8A6 I7 S8 I32 M35 L48A6-A70 HydrophobicContact CB-CB 3.88Å; I7-A70 PolarHBondContact O-N 2.77Å; S8-A70 PolarHBondContact OG-O 2.81Å; I32-A70 HydrophobicContact CD1-CB 3.9Å; M35-A70 HydrophobicContact CB-CB 4.23Å; M35-A70 HydrophobicContact CE-CB 4Å; M35-A70 HydrophobicContact CG-CB 4.11Å; L48-A70 HydrophobicContact CD1-CB 4.07Å
71F81.8Confident80.8Confident19 Ų1934 Ų348%0.08320%0.198CC..SBendtrans-132.2125.5166.6-169.7-104.1000107.9I9 A11 L14 V15 E31 L54 M57 S69 L73I9-F71 HydrophobicContact CD1-CD1 4.08Å; I9-F71 HydrophobicContact CD1-CE1 3.96Å; I9-F71 HydrophobicContact CD1-CE2 4.46Å; I9-F71 HydrophobicContact CD1-CG 4.37Å; I9-F71 HydrophobicContact CD1-CZ 4.15Å; I9-F71 HydrophobicContact CG1-CB 4.37Å; I9-F71 HydrophobicContact CG1-CD1 4.09Å; I9-F71 HydrophobicContact CG1-CD2 4.08Å; I9-F71 HydrophobicContact CG1-CE1 4.4Å; I9-F71 HydrophobicContact CG1-CE2 4.4Å; I9-F71 HydrophobicContact CG1-CG 3.91Å; A11-F71 HydrophobicContact CB-CD2 4.24Å; A11-F71 HydrophobicContact CB-CE2 3.53Å; A11-F71 HydrophobicContact CB-CZ 4.21Å; L14-F71 HydrophobicContact CD1-CE2 3.85Å; L14-F71 HydrophobicContact CD1-CZ 4.5Å; V15-F71 HydrophobicContact CG2-CD2 4.38Å; E31-F71 VanDerWaalsContact OE2-C 3.27Å; E31-F71 WeakPolarHBondContact OE2-CA 3.1Å; L54-F71 HydrophobicContact CD1-CD1 3.92Å; L54-F71 HydrophobicContact CD1-CE1 4.14Å; M57-F71 HydrophobicContact CE-CB 4.15Å; M57-F71 HydrophobicContact CE-CD1 4.46Å; M57-F71 HydrophobicContact SD-CB 3.72Å; S69-F71 PolarHBondContact O-N 3.39Å; S69-F71 PolarHBondContact OG-O 3.38Å; F71-L73 HydrophobicContact CD1-CD2 4.15Å; F71-L73 HydrophobicContact CD1-CG 4.36Å; F71-L73 HydrophobicContact CE1-CD2 4.15Å
72S78.3Confident79.9Confident9 Ų939.4 Ų39.46%0.06323%0.227CC..  trans-82140-177.173.80000110.8E31E31-S72 WeakPolarHBondContact OE1-CB 3.45Å; E31-S72 PolarHBondContact OE1-N 3.47Å; E31-S72 PolarHBondContact OE1-OG 2.94Å; E31-S72 PolarHBondContact OE2-N 2.9Å
73L76.2Confident79.3Confident13 Ų1336.3 Ų36.37%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-129149.9-174.2-75.7172.3000111.5L54 M57 L58 F71 L78 Y292 Y293L54-L73 HydrophobicContact CD1-CD1 4.22Å; L54-L73 HydrophobicContact CD1-CD2 3.7Å; L54-L73 HydrophobicContact CD1-CG 4.36Å; L54-L73 HydrophobicContact CD2-CD1 4.14Å; L54-L73 HydrophobicContact CD2-CD2 3.73Å; L54-L73 HydrophobicContact CG-CD1 4.32Å; L54-L73 HydrophobicContact CG-CD2 4.23Å; M57-L73 HydrophobicContact CE-CD1 3.84Å; M57-L73 HydrophobicContact CE-CG 4.49Å; L58-L73 HydrophobicContact CD1-CD1 3.96Å; L58-L73 HydrophobicContact CD2-CD1 3.68Å; L58-L73 HydrophobicContact CG-CD1 4.07Å; F71-L73 HydrophobicContact CD1-CD2 4.15Å; F71-L73 HydrophobicContact CD1-CG 4.36Å; F71-L73 HydrophobicContact CE1-CD2 4.15Å; L73-L78 HydrophobicContact CB-CD1 3.96Å; L73-L78 HydrophobicContact CB-CD2 4.07Å; L73-L78 HydrophobicContact CB-CG 3.85Å; L73-L78 HydrophobicContact CD1-CD2 3.93Å; L73-Y292 CarbonylContact O-C 3.32Å; L73-Y292 VanDerWaalsContact O-CA 3.3Å; L73-Y292 WeakPolarHBondContact O-CA 3.41Å; L73-Y293 PolarHBondContact N-O 3.42Å; L73-Y293 PolarHBondContact O-N 3.43Å
74T70.9Confident78.7Confident4 Ų434.2 Ų34.23%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-61.2150.4177.358.10000111.5S76 R77 L78 Y292T74-S76 PolarHBondContact O-N 2.73Å; T74-S76 PolarHBondContact OG1-OG 3.13Å; T74-S76 VanDerWaalsContact OG1-OG 3.06Å; T74-R77 PolarHBondContact O-N 3.26Å; T74-L78 PolarHBondContact O-N 3.49Å; T74-Y292 HydrophobicContact CG2-CD1 4.4Å; T74-Y292 HydrophobicContact CG2-CE1 3.83Å
75A69.6Low78.1Confident20 Ų2035.9 Ų35.917%0.16519%0.194CC..Hα-helixtrans-51.8-4017600000112.7L78 L79 P291 Y293A75-L78 PolarHBondContact O-N 2.76Å; A75-L79 WeakPolarHBondContact O-CB 3.18Å; A75-L79 WeakPolarHBondContact O-CD1 3.47Å; A75-L79 WeakPolarHBondContact O-CG 3.32Å; A75-L79 PolarHBondContact O-N 3.23Å; A75-P291 HydrophobicContact CB-CG 4.35Å; A75-P291 PolarHBondContact N-O 3.24Å; A75-Y293 HydrophobicContact CB-CD2 4.23Å; A75-Y293 HydrophobicContact CB-CE2 3.7Å
76S66.4Low77.1Confident35 Ų3530 Ų3025%0.24517%0.167CC..Hα-helixtrans-59-49.3-178.553.30000111.8T74 L78 L79 S80 D215T74-S76 PolarHBondContact O-N 2.73Å; T74-S76 PolarHBondContact OG1-OG 3.13Å; T74-S76 VanDerWaalsContact OG1-OG 3.06Å; S76-L78 PolarHBondContact O-N 3Å; S76-L79 PolarHBondContact O-N 3.08Å; S76-S80 PolarHBondContact O-N 3.21Å; S76-D215 PolarHBondContact OG-OD1 3.26Å; S76-D215 VanDerWaalsContact OG-OD1 3.14Å
77R68.1Low76Confident43 Ų4332.4 Ų32.416%0.16218%0.178CC..Hα-helixtrans-65.8-38.5-178-172.764.4179153.40.8112L54 D55 T74 S80 E81L54-R77 HydrophobicContact CD2-CG 4.32Å; D55-R77 IonicContact OD1-CZ 2.62Å; D55-R77 IonicContact OD1-NH2 2.77Å; D55-R77 PolarHBondContact OD1-NH2 3.11Å; T74-R77 PolarHBondContact O-N 3.26Å; R77-S80 PolarHBondContact O-OG 3.48Å; R77-E81 IonicContact CZ-OE1 3.9Å; R77-E81 IonicContact NH1-OE1 2.74Å; R77-E81 WeakPolarHBondContact O-CG 3.31Å
78L74.9Confident74.6Confident0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-76-28.7-179-67.1172.5000113.3L58 L73 T74 A75 S76 E81 N82 C83 Q85 Y293 C295L58-L78 HydrophobicContact CD2-CD2 3.94Å; L73-L78 HydrophobicContact CB-CD1 3.96Å; L73-L78 HydrophobicContact CB-CD2 4.07Å; L73-L78 HydrophobicContact CB-CG 3.85Å; L73-L78 HydrophobicContact CD1-CD2 3.93Å; T74-L78 PolarHBondContact O-N 3.49Å; A75-L78 PolarHBondContact O-N 2.76Å; S76-L78 PolarHBondContact O-N 3Å; L78-E81 PolarHBondContact O-N 2.9Å; L78-N82 PolarHBondContact O-N 3.18Å; L78-C83 HydrophobicContact CD2-CB 4.13Å; L78-C83 PolarHBondContact O-N 3.28Å; L78-Q85 HydrophobicContact CB-CG 4.31Å; L78-Q85 HydrophobicContact CD1-CG 4.35Å; L78-Y293 VanDerWaalsContact CD1-CB 3.5Å; L78-Y293 HydrophobicContact CD1-CD2 4.41Å; L78-Y293 HydrophobicContact CD1-CG 4.37Å; L78-Y293 WeakPolarHBondContact CD1-O 3.1Å; L78-C295 HydrophobicContact CD2-CB 3.71Å
79L69.9Low72.8Confident121 Ų12134.3 Ų34.363%0.63419%0.187SC*.Hα-helixtrans-66.6-37175-75.9168.7000111.8A75 S76 E81A75-L79 WeakPolarHBondContact O-CB 3.18Å; A75-L79 WeakPolarHBondContact O-CD1 3.47Å; A75-L79 WeakPolarHBondContact O-CG 3.32Å; A75-L79 PolarHBondContact O-N 3.23Å; S76-L79 PolarHBondContact O-N 3.08Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 2.91Å
80S68.9Low71.1Confident78 Ų7834.7 Ų34.755%0.54519%0.191SC..Hα-helixtrans-67.3-33.2176.359.60000112.8S76 R77S76-S80 PolarHBondContact O-N 3.21Å; R77-S80 PolarHBondContact O-OG 3.48Å
81E71.5Confident69.4Low63 Ų6340 Ų4029%0.29421%0.214SC..THydrogen-bonded Turntrans-91.72.4-175.6-60.7-60.515500113.6L58 L62 R77 L78 L79 C83L58-E81 HydrophobicContact CD1-CG 4.25Å; L62-E81 HydrophobicContact CD1-CB 4.38Å; R77-E81 IonicContact CZ-OE1 3.9Å; R77-E81 IonicContact NH1-OE1 2.74Å; R77-E81 WeakPolarHBondContact O-CG 3.31Å; L78-E81 PolarHBondContact O-N 2.9Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 2.91Å; E81-C83 PolarHBondContact O-N 2.94Å; E81-C83 VanDerWaalsContact O-N 3.14Å
82N70.8Confident68.5Low114 Ų11440.1 Ų40.161%0.6122%0.216SC*.THydrogen-bonded Turntrans57.428.4178.9-115.9-28.8000113.1L78 R298L78-N82 PolarHBondContact O-N 3.18Å; N82-R298 VanDerWaalsContact O-CZ 3.29Å; N82-R298 PolarHBondContact O-NE 2.87Å; N82-R298 PolarHBondContact O-NH2 2.89Å; N82-R298 PolarHBondContact OD1-NH2 3.02Å
83C75.7Confident67.8Low10 Ų1040.5 Ų40.57%0.06822%0.218CC..PPolyproline II helixtrans-77.1147.6-178.5-166.70000112.1L62 L78 E81 C295 V296L62-C83 HydrophobicContact CD2-CB 4.18Å; L78-C83 HydrophobicContact CD2-CB 4.13Å; L78-C83 PolarHBondContact O-N 3.28Å; E81-C83 PolarHBondContact O-N 2.94Å; E81-C83 VanDerWaalsContact O-N 3.14Å; C83-C295 HydrophobicContact CB-CB 4Å; C83-C295 WeakPolarHBondContact CB-SG 3.31Å; C83-C295 VanDerWaalsContact SG-C 3.54Å; C83-C295 WeakPolarHBondContact SG-CA 3.5Å; C83-C295 WeakPolarHBondContact SG-CB 2.77Å; C83-C295 CovalentContact SG-SG 2.01Å; C83-C295 PolarHBondContact SG-SG 3.16Å; C83-V296 PolarHBondContact SG-N 3.17Å; C83-V296 VanDerWaalsContact SG-N 3.37Å
84T77.6Confident67.8Low29 Ų2939.9 Ų39.918%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-75.6127.7168.8-68.40000109.5V296 R298 L303T84-V296 WeakPolarHBondContact CB-O 3.38Å; T84-V296 PolarHBondContact O-N 3.12Å; T84-R298 WeakPolarHBondContact OG1-CG 2.97Å; T84-L303 HydrophobicContact CG2-CD1 3.64Å; T84-L303 HydrophobicContact CG2-CD2 3.89Å; T84-L303 HydrophobicContact CG2-CG 4.31Å
85Q75Confident68.2Low53 Ų5339.7 Ų39.725%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-93.9136.2-170.8-63.2172-6.200111.2L78 Y293 Q307L78-Q85 HydrophobicContact CB-CG 4.31Å; L78-Q85 HydrophobicContact CD1-CG 4.35Å; Q85-Y293 HydrophobicContact CB-CD1 3.69Å; Q85-Y293 HydrophobicContact CB-CE1 4.41Å; Q85-Y293 HydrophobicContact CB-CG 3.94Å; Q85-Y293 HydrophobicContact CG-CD1 4.43Å; Q85-Y293 HydrophobicContact CG-CG 4.26Å; Q85-Q307 PolarHBondContact O-NE2 3.36Å
86M72.3Confident69Low0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-114.8119.8162.3172-164.5179.300107.6Y34 V38 F88 Y293 Y294 V296 L306 A310Y34-M86 HydrophobicContact CE1-CE 4.32Å; V38-M86 HydrophobicContact CG1-CE 4.25Å; V38-M86 HydrophobicContact CG2-CE 4.12Å; M86-F88 PolarHBondContact O-N 3.41Å; M86-F88 VanDerWaalsContact O-N 3.16Å; M86-Y293 CarbonylContact O-C 3.54Å; M86-Y293 WeakPolarHBondContact O-CA 3.47Å; M86-Y293 WeakPolarHBondContact O-CB 3.32Å; M86-Y294 PolarHBondContact N-O 2.96Å; M86-Y294 PolarHBondContact O-N 2.96Å; M86-Y294 HydrophobicContact SD-CD2 4.12Å; M86-V296 HydrophobicContact CB-CG2 3.58Å; M86-L306 HydrophobicContact CB-CD2 4.38Å; M86-L306 HydrophobicContact CE-CD1 4.05Å; M86-L306 HydrophobicContact CE-CG 4Å; M86-L306 HydrophobicContact CG-CD2 4.37Å; M86-L306 HydrophobicContact CG-CG 4.29Å; M86-L306 HydrophobicContact SD-CD1 3.82Å; M86-L306 HydrophobicContact SD-CD2 3.62Å; M86-L306 HydrophobicContact SD-CG 3.44Å; M86-L306 WeakPolarHBondContact SD-CG 3.34Å; M86-A310 HydrophobicContact CE-CB 3.82Å; M86-A310 HydrophobicContact CG-CB 3.77Å
87M66.8Low69.9Low56 Ų5637.2 Ų37.228%0.27620%0.195SC..EExtended strand (participates in β ladder)trans-62.6117.7-176.3-170.1174.6179.400110.4D89 F91 Y293 A310M87-D89 HydrophobicContact CE-CB 3.89Å; M87-D89 WeakPolarHBondContact CE-OD1 3.28Å; M87-D89 HydrophobicContact CG-CB 4.26Å; M87-D89 PolarHBondContact O-N 3.43Å; M87-D89 HydrophobicContact SD-CB 4.4Å; M87-F91 HydrophobicContact CE-CE2 3.93Å; M87-F91 HydrophobicContact CE-CZ 4.09Å; M87-Y293 HydrophobicContact CB-CD1 3.96Å; M87-Y293 HydrophobicContact CB-CE1 3.9Å; M87-Y293 HydrophobicContact CG-CD1 4.37Å; M87-Y293 HydrophobicContact CG-CE1 4.01Å; M87-A310 WeakPolarHBondContact O-CB 3.41Å
88F63.8Low70.7Confident18 Ų1835.2 Ų35.28%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-85.397.8154-175.5-112000103.4Y34 M86 G90 Y292 Y294 K319Y34-F88 HydrophobicContact CD1-CD2 4.48Å; Y34-F88 HydrophobicContact CD1-CE2 4.48Å; Y34-F88 HydrophobicContact CD2-CD2 4.3Å; Y34-F88 AromaticContact CD2-CE2 3.8Å; Y34-F88 HydrophobicContact CD2-CE2 3.8Å; Y34-F88 HydrophobicContact CE1-CD2 4.22Å; Y34-F88 AromaticContact CE2-CD2 3.97Å; Y34-F88 HydrophobicContact CE2-CD2 3.97Å; Y34-F88 AromaticContact CE2-CE2 3.86Å; Y34-F88 HydrophobicContact CE2-CE2 3.86Å; Y34-F88 HydrophobicContact CG-CE2 4.11Å; Y34-F88 AromaticContact CZ-CD2 3.93Å; M86-F88 PolarHBondContact O-N 3.41Å; M86-F88 VanDerWaalsContact O-N 3.16Å; F88-G90 PolarHBondContact O-N 3.22Å; F88-Y292 CarbonylContact C-O 3.4Å; F88-Y292 PolarHBondContact N-O 2.61Å; F88-Y294 HydrophobicContact CB-CD2 4.19Å; F88-Y294 HydrophobicContact CB-CE2 3.77Å; F88-Y294 AromaticContact CD2-CE2 3.56Å; F88-Y294 HydrophobicContact CD2-CE2 3.56Å; F88-Y294 AromaticContact CD2-CZ 3.76Å; F88-Y294 VanDerWaalsContact CD2-OH 3.32Å; F88-Y294 WeakPolarHBondContact CD2-OH 3.19Å; F88-Y294 HydrophobicContact CE2-CE2 4.48Å; F88-Y294 WeakPolarHBondContact CE2-OH 3.48Å; F88-Y294 HydrophobicContact CG-CE2 4.01Å; F88-K319 HydrophobicContact CZ-CG 4.44Å
89D53.5Low71.1Confident35 Ų3538.4 Ų38.419%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-64.390.6-178.8-174.5-0.3000106.9M87 W316 K319M87-D89 HydrophobicContact CE-CB 3.89Å; M87-D89 WeakPolarHBondContact CE-OD1 3.28Å; M87-D89 HydrophobicContact CG-CB 4.26Å; M87-D89 PolarHBondContact O-N 3.43Å; M87-D89 HydrophobicContact SD-CB 4.4Å; D89-W316 VanDerWaalsContact OD2-CZ2 3.31Å; D89-W316 WeakPolarHBondContact OD2-CZ2 3.44Å; D89-W316 PolarHBondContact OD2-NE1 2.87Å; D89-K319 VanDerWaalsContact C-NZ 3.33Å; D89-K319 WeakPolarHBondContact O-CD 3.44Å; D89-K319 WeakPolarHBondContact O-CE 3.23Å; D89-K319 PolarHBondContact O-NZ 2.9Å; D89-K319 IonicContact OD1-NZ 3.09Å
90G53.2Low71.3Confident8 Ų832.8 Ų32.88%0.08217%0.173CC..EExtended strand (participates in β ladder)trans-157.7109-170.700000104F88 P291 Y292F88-G90 PolarHBondContact O-N 3.22Å; G90-P291 WeakPolarHBondContact O-CA 3.41Å; G90-Y292 WeakPolarHBondContact O-CD2 3.41Å; G90-Y292 PolarHBondContact O-N 2.65Å; G90-Y292 VanDerWaalsContact O-N 3.15Å
91F51.5Low71.3Confident111 Ų11135 Ų3549%0.48717%0.173SC..EExtended strand (participates in β ladder)trans-104107.3174.6-75.1-86.2000104.8M87 A289 P291M87-F91 HydrophobicContact CE-CE2 3.93Å; M87-F91 HydrophobicContact CE-CZ 4.09Å; F91-A289 HydrophobicContact CB-CB 3.76Å; F91-A289 HydrophobicContact CD1-CB 4.11Å; F91-A289 HydrophobicContact CG-CB 4.4Å; F91-P291 HydrophobicContact CD1-CB 4.23Å; F91-P291 HydrophobicContact CE1-CB 3.81Å; F91-P291 HydrophobicContact CE1-CG 4.05Å; F91-P291 HydrophobicContact CZ-CB 4.18Å
92D63.1Low70.7Confident22 Ų2237.1 Ų37.112%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-105.7139.7170.8-143.6-35.1000108.5Y263 N264 A265 A289 Q290 Y292D92-Y263 HydrophobicContact CB-CD1 4.47Å; D92-Y263 WeakPolarHBondContact OD2-CB 3.05Å; D92-N264 VanDerWaalsContact OD1-CA 3.28Å; D92-N264 WeakPolarHBondContact OD1-CA 3.24Å; D92-N264 WeakPolarHBondContact OD1-CB 3.35Å; D92-N264 PolarHBondContact OD1-N 3.12Å; D92-A265 PolarHBondContact OD1-N 3.5Å; D92-A265 WeakPolarHBondContact OD2-CB 3.48Å; D92-A265 PolarHBondContact OD2-N 2.98Å; D92-A289 WeakPolarHBondContact O-CA 3.38Å; D92-Q290 PolarHBondContact N-O 2.98Å; D92-Q290 PolarHBondContact O-N 3.39Å; D92-Y292 HydrophobicContact CB-CD2 4.35Å; D92-Y292 HydrophobicContact CB-CE2 3.35Å
93T65.1Low70Confident18 Ų1832.5 Ų32.511%0.1117%0.169CC..  trans-100.5137171.551.10000107V95 N264 A289T93-V95 PolarHBondContact O-N 3.16Å; T93-N264 WeakPolarHBondContact O-CB 3.08Å; T93-N264 PolarHBondContact O-N 3.43Å; T93-N264 WeakPolarHBondContact OG1-CB 3.21Å; T93-N264 VanDerWaalsContact OG1-CG 3.28Å; T93-N264 PolarHBondContact OG1-ND2 2.88Å; T93-A289 VanDerWaalsContact CG2-CA 3.46Å; T93-A289 HydrophobicContact CG2-CB 3.44Å; T93-A289 VanDerWaalsContact CG2-CB 3.44Å
94H76.2Confident68.7Low0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-65.8139.8168-55.1102.9000109F212 V216 D262 Y263 L287H94-F212 AromaticContact CD2-CZ 3.88Å; H94-F212 AromaticContact NE2-CE2 3.95Å; H94-F212 AromaticContact NE2-CZ 4Å; H94-V216 HydrophobicContact CB-CG1 3.98Å; H94-V216 HydrophobicContact CB-CG2 4.32Å; H94-V216 VanDerWaalsContact CD2-CG2 3.46Å; H94-V216 WeakPolarHBondContact CD2-CG2 3.49Å; H94-D262 WeakPolarHBondContact CA-O 3.22Å; H94-Y263 AromaticContact CD2-CE1 3.86Å; H94-Y263 AromaticContact NE2-CE1 3.8Å; H94-L287 HydrophobicContact CB-CD1 4.43Å; H94-L287 VanDerWaalsContact O-CD1 3.23Å; H94-L287 WeakPolarHBondContact O-CD1 3.32Å
95V78.3Confident67.3Low0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-123.8146.5174.4-61.30000109.1T93 F261 D262 N264 I267 V281T93-V95 PolarHBondContact O-N 3.16Å; V95-F261 CarbonylContact O-C 3.38Å; V95-F261 WeakPolarHBondContact O-CA 3.14Å; V95-F261 VanDerWaalsContact O-CB 3.31Å; V95-F261 WeakPolarHBondContact O-CB 3.43Å; V95-D262 HydrophobicContact CG2-CB 4.3Å; V95-D262 WeakPolarHBondContact CG2-O 3.3Å; V95-D262 PolarHBondContact N-O 3.28Å; V95-D262 PolarHBondContact O-N 3.36Å; V95-N264 HydrophobicContact CG1-CB 3.91Å; V95-I267 HydrophobicContact CG1-CD1 4.12Å; V95-I267 HydrophobicContact CG1-CG1 4.23Å; V95-V281 HydrophobicContact CB-CG1 3.63Å; V95-V281 HydrophobicContact CG1-CG1 4.19Å; V95-V281 HydrophobicContact CG2-CG1 3.71Å
96F85.6Confident66Low0 Ų048.6 Ų48.60%023%0.231CC..EExtended strand (participates in β ladder)trans-101139-179.4-76.7-100.5000110.3L98 L188 V191 V216 F217 I259 S260 F261 V281 V282 F284 L287F96-L98 HydrophobicContact CB-CG 4.43Å; F96-L188 HydrophobicContact CE1-CD1 4.46Å; F96-L188 HydrophobicContact CE2-CD1 3.79Å; F96-L188 HydrophobicContact CZ-CD1 3.58Å; F96-V191 HydrophobicContact CD1-CG1 4.26Å; F96-V191 HydrophobicContact CE1-CG1 3.89Å; F96-V216 HydrophobicContact CE2-CG1 4.16Å; F96-V216 HydrophobicContact CZ-CG1 3.85Å; F96-F217 HydrophobicContact CE1-CE1 4.05Å; F96-F217 HydrophobicContact CE1-CE2 4.5Å; F96-F217 AromaticContact CE1-CZ 3.64Å; F96-F217 HydrophobicContact CE1-CZ 3.64Å; F96-F217 AromaticContact CZ-CE1 3.83Å; F96-F217 HydrophobicContact CZ-CE1 3.83Å; F96-F217 AromaticContact CZ-CZ 3.76Å; F96-F217 HydrophobicContact CZ-CZ 3.76Å; F96-I259 HydrophobicContact CD1-CG2 3.71Å; F96-I259 HydrophobicContact CE1-CG2 4.17Å; F96-S260 CarbonylContact C-O 3.51Å; F96-S260 WeakPolarHBondContact CA-O 2.92Å; F96-F261 HydrophobicContact CD1-CB 4.19Å; F96-F261 HydrophobicContact CE1-CB 4.26Å; F96-F261 HydrophobicContact CE1-CD1 4.39Å; F96-F261 HydrophobicContact CG-CB 4.41Å; F96-V281 CarbonylContact O-C 3.58Å; F96-V281 WeakPolarHBondContact O-CA 3.45Å; F96-V282 HydrophobicContact CB-CB 4.39Å; F96-V282 PolarHBondContact N-O 3.36Å; F96-V282 PolarHBondContact O-N 2.85Å; F96-F284 HydrophobicContact CB-CD2 4.45Å; F96-F284 HydrophobicContact CB-CE2 3.87Å; F96-F284 HydrophobicContact CD1-CE2 4.23Å; F96-F284 AromaticContact CD2-CD2 3.49Å; F96-F284 HydrophobicContact CD2-CD2 3.49Å; F96-F284 VanDerWaalsContact CD2-CD2 3.49Å; F96-F284 AromaticContact CD2-CE2 3.64Å; F96-F284 HydrophobicContact CD2-CE2 3.64Å; F96-F284 AromaticContact CE2-CD2 3.91Å; F96-F284 HydrophobicContact CE2-CD2 3.91Å; F96-F284 HydrophobicContact CE2-CE2 4.25Å; F96-F284 HydrophobicContact CG-CD2 4Å; F96-F284 AromaticContact CG-CE2 3.62Å; F96-F284 HydrophobicContact CG-CE2 3.62Å; F96-L287 HydrophobicContact CD2-CD1 3.76Å; F96-L287 HydrophobicContact CE2-CD1 3.49Å; F96-L287 VanDerWaalsContact CE2-CD1 3.49Å; F96-L287 HydrophobicContact CE2-CD2 4.32Å; F96-L287 HydrophobicContact CE2-CG 4.47Å
97L85.8Confident64.9Low2 Ų253.6 Ų53.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-104.1113.1174.2-57.3172.4000107.9I247 L251 S260 D262 F270 V279 V281L97-I247 HydrophobicContact CD1-CG2 4.39Å; L97-L251 HydrophobicContact CB-CD1 3.73Å; L97-S260 PolarHBondContact N-O 2.83Å; L97-S260 PolarHBondContact O-N 2.81Å; L97-D262 HydrophobicContact CD1-CB 4.37Å; L97-F270 HydrophobicContact CD1-CE1 3.67Å; L97-F270 HydrophobicContact CD1-CE2 3.96Å; L97-F270 HydrophobicContact CD1-CZ 3.35Å; L97-F270 HydrophobicContact CD2-CD1 3.83Å; L97-F270 HydrophobicContact CD2-CD2 3.8Å; L97-F270 HydrophobicContact CD2-CE1 3.81Å; L97-F270 HydrophobicContact CD2-CE2 3.78Å; L97-F270 HydrophobicContact CD2-CG 3.84Å; L97-F270 HydrophobicContact CD2-CZ 3.8Å; L97-F270 HydrophobicContact CG-CE1 4.4Å; L97-F270 HydrophobicContact CG-CE2 4.41Å; L97-F270 HydrophobicContact CG-CZ 4.19Å; L97-V279 HydrophobicContact CB-CG1 4.21Å; L97-V281 HydrophobicContact CD2-CG2 3.88Å
98L85.5Confident64Low2 Ų259.1 Ų59.11%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-127.3144.3-175.2-66.2174.9000110.5F96 G100 V183 Y185 I259 V279 K280 V282 F284F96-L98 HydrophobicContact CB-CG 4.43Å; L98-G100 PolarHBondContact O-N 2.99Å; L98-V183 HydrophobicContact CD1-CG1 3.74Å; L98-Y185 HydrophobicContact CD1-CD2 3.97Å; L98-Y185 HydrophobicContact CD2-CD2 4.1Å; L98-Y185 HydrophobicContact CD2-CE2 4.4Å; L98-I259 HydrophobicContact CD2-CB 4.05Å; L98-I259 HydrophobicContact CD2-CD1 4.14Å; L98-I259 HydrophobicContact CD2-CG1 3.61Å; L98-I259 HydrophobicContact CD2-CG2 3.78Å; L98-V279 CarbonylContact O-C 3.49Å; L98-V279 WeakPolarHBondContact O-CA 3.28Å; L98-K280 PolarHBondContact N-O 3.14Å; L98-K280 PolarHBondContact O-N 2.99Å; L98-V282 HydrophobicContact CB-CG2 4.47Å; L98-V282 HydrophobicContact CD1-CB 4.3Å; L98-V282 HydrophobicContact CD1-CG2 3.98Å; L98-F284 HydrophobicContact CD1-CZ 4.27Å
99K82.9Confident63.4Low66 Ų6659.7 Ų59.729%0.28729%0.291SS..EExtended strand (participates in β ladder)trans-70.1111.1169.3-169.5-177.1-160.9128.70108.7L251 E252 D254 I278K99-L251 VanDerWaalsContact CD-O 3.26Å; K99-L251 WeakPolarHBondContact CD-O 3.48Å; K99-L251 WeakPolarHBondContact CE-O 3.41Å; K99-L251 WeakPolarHBondContact CG-O 3.07Å; K99-L251 PolarHBondContact NZ-O 3.48Å; K99-E252 PolarHBondContact NZ-O 3.07Å; K99-D254 PolarHBondContact NZ-O 3.37Å; K99-I278 HydrophobicContact CD-CD1 4.41Å; K99-I278 HydrophobicContact CG-CD1 4.02Å; K99-I278 HydrophobicContact CG-CG1 4.43Å
100G74.3Confident63.4Low4 Ų460.3 Ų60.34%0.04129%0.293CS..PPolyproline II helixtrans-64.4133.6170.400000109.9L98 I278L98-G100 PolarHBondContact O-N 2.99Å; G100-I278 WeakPolarHBondContact CA-O 3.26Å; G100-I278 PolarHBondContact N-O 3.35Å
101K68.3Low63.4Low124 Ų12461.3 Ų61.354%0.53930%0.298SS..EExtended strand (participates in β ladder)trans-90144171-68.7-179.2-179173.60108.4S103 L181 S182K101-S103 PolarHBondContact O-N 2.91Å; K101-S103 VanDerWaalsContact O-N 3.07Å; K101-L181 CarbonylContact O-C 3.54Å; K101-L181 WeakPolarHBondContact O-CA 3.49Å; K101-S182 PolarHBondContact N-O 3.11Å; K101-S182 PolarHBondContact O-N 3.06Å; K101-S182 PolarHBondContact O-OG 3.38Å
102P60.5Low63.6Low108 Ų10860.9 Ų60.970%0.70130%0.3SS*.EExtended strand (participates in β ladder)trans-49.8122.7166.2-19.329.9000107.6E104P102-E104 PolarHBondContact O-N 2.9Å; P102-E104 VanDerWaalsContact O-N 3.17Å
103S54.6Low63.3Low17 Ų1765.7 Ų65.712%0.11932%0.322CS..PPolyproline II helixtrans-55.8129.7179.357.20000108.7K101 R105 F106 S180K101-S103 PolarHBondContact O-N 2.91Å; K101-S103 VanDerWaalsContact O-N 3.07Å; S103-R105 PolarHBondContact O-N 2.86Å; S103-F106 PolarHBondContact O-N 3.14Å; S103-S180 WeakPolarHBondContact CB-O 3.09Å; S103-S180 PolarHBondContact N-O 3.39Å; S103-S180 PolarHBondContact OG-O 2.61Å; S103-S180 VanDerWaalsContact OG-O 3.08Å; S103-S180 PolarHBondContact OG-OG 3.14Å
104E48.2Very low62.6Low151 Ų15166.8 Ų66.871%0.70633%0.333SS*.THydrogen-bonded Turntrans-57.3-3.3173-65.4-169.6166.500113.3P102 F106 Q107P102-E104 PolarHBondContact O-N 2.9Å; P102-E104 VanDerWaalsContact O-N 3.17Å; E104-F106 PolarHBondContact O-N 3.35Å; E104-Q107 PolarHBondContact O-N 3.42Å
105R48Very low61.7Low192 Ų19269.6 Ų69.673%0.72535%0.345SS*.THydrogen-bonded Turntrans-51.9-17.5166.9-70.8-172.5174.2176.40.4113.4S103S103-R105 PolarHBondContact O-N 2.86Å
106F49.2Very low61Low87 Ų8776.6 Ų76.638%0.38238%0.378SS..  trans-10677.1169.3-71.4-92.4000111.6S103 E104 M110 A176 Q361S103-F106 PolarHBondContact O-N 3.14Å; E104-F106 PolarHBondContact O-N 3.35Å; F106-M110 HydrophobicContact CB-CE 4.32Å; F106-M110 HydrophobicContact CD1-CE 3.16Å; F106-M110 HydrophobicContact CD1-SD 4.38Å; F106-M110 HydrophobicContact CE1-CE 3.52Å; F106-M110 HydrophobicContact CG-CE 3.91Å; F106-M110 HydrophobicContact CZ-CE 4.49Å; F106-A176 HydrophobicContact CE2-CB 3.53Å; F106-A176 HydrophobicContact CZ-CB 3.39Å; F106-Q361 HydrophobicContact CD1-CG 4.27Å; F106-Q361 HydrophobicContact CE1-CG 3.98Å
107Q49.4Very low60.1Low104 Ų10485.4 Ų85.449%0.48641%0.411SS..  trans-100.1143.6163.7-79178-1.300110.2E104 G109 M110E104-Q107 PolarHBondContact O-N 3.42Å; Q107-G109 PolarHBondContact O-N 2.71Å; Q107-M110 PolarHBondContact O-N 2.75Å
108E47.6Very low59.5Low172 Ų17288.3 Ų88.380%0.80443%0.429SS*.THydrogen-bonded Turntrans-45.9133.7166.3-66.2172.7175.800109.5
109G50.8Low58.8Low31 Ų3190.9 Ų90.932%0.3245%0.445SS..THydrogen-bonded Turntrans93.65.1-176.200000115.5Q107 V111 L112 D364Q107-G109 PolarHBondContact O-N 2.71Å; G109-V111 PolarHBondContact O-N 3.47Å; G109-L112 PolarHBondContact O-N 2.79Å; G109-D364 PolarHBondContact N-OD2 3.37Å
110M53.4Low58.2Low47 Ų4789.5 Ų89.523%0.23244%0.438CS..Hα-helixtrans-52.2-25.7173-103.2-152.5-58.400113.9F106 Q107 L112 Q113F106-M110 HydrophobicContact CB-CE 4.32Å; F106-M110 HydrophobicContact CD1-CE 3.16Å; F106-M110 HydrophobicContact CD1-SD 4.38Å; F106-M110 HydrophobicContact CE1-CE 3.52Å; F106-M110 HydrophobicContact CG-CE 3.91Å; F106-M110 HydrophobicContact CZ-CE 4.49Å; Q107-M110 PolarHBondContact O-N 2.75Å; M110-L112 PolarHBondContact O-N 3.39Å; M110-L112 VanDerWaalsContact O-N 3.14Å; M110-Q113 PolarHBondContact O-N 2.96Å
111V53.1Low58.5Low29 Ų2993 Ų9318%0.17646%0.455CS..Hα-helixtrans-51.7-35.3174.8-175.80000112.3G109 Y165 D364G109-V111 PolarHBondContact O-N 3.47Å; V111-Y165 VanDerWaalsContact CA-CZ 3.45Å; V111-Y165 VanDerWaalsContact CA-OH 3.31Å; V111-Y165 WeakPolarHBondContact CA-OH 3.16Å; V111-Y165 HydrophobicContact CB-CE1 4.39Å; V111-Y165 HydrophobicContact CG1-CD1 4.46Å; V111-Y165 HydrophobicContact CG1-CE1 3.92Å; V111-Y165 HydrophobicContact CG2-CE1 4.34Å; V111-Y165 WeakPolarHBondContact CG2-OH 3.26Å; V111-D364 HydrophobicContact CG2-CB 4.12Å
112L55.7Low59Low102 Ų10288.9 Ų88.953%0.53445%0.447SS..Hα-helixtrans-91.9-11-179.3-64.4171.2000113.2G109 M110 W120G109-L112 PolarHBondContact O-N 2.79Å; M110-L112 PolarHBondContact O-N 3.39Å; M110-L112 VanDerWaalsContact O-N 3.14Å; L112-W120 HydrophobicContact CD2-CD2 4Å; L112-W120 HydrophobicContact CD2-CE3 4.42Å; L112-W120 HydrophobicContact CD2-CG 4.35Å; L112-W120 HydrophobicContact CD2-CZ2 4.13Å; L112-W120 PolarHBondContact O-NE1 2.94Å
113Q56.4Low59.7Low123 Ų12384.8 Ų84.858%0.57542%0.419SS*.Hα-helixtrans-82.3-14.7-175.1-67.2-172.1-2.200114.4M110 F115M110-Q113 PolarHBondContact O-N 2.96Å; Q113-F115 PolarHBondContact O-N 2.9Å; Q113-F115 VanDerWaalsContact O-N 3.16Å
114A51.8Low61Low42 Ų4289.6 Ų89.635%0.34744%0.443SS..THydrogen-bonded Turntrans-62.4-23.7179.100000113.4Y165 L168A114-Y165 HydrophobicContact CB-CD2 3.59Å; A114-Y165 HydrophobicContact CB-CE2 4.2Å; A114-L168 HydrophobicContact CB-CD1 4.42Å
115F57Low62.7Low59 Ų5987.6 Ų87.626%0.25944%0.437SS..SBendtrans-120150.2167.9-65.2-82.2000109Q113 W117 V119 W120 C161Q113-F115 PolarHBondContact O-N 2.9Å; Q113-F115 VanDerWaalsContact O-N 3.16Å; F115-W117 PolarHBondContact O-N 3.12Å; F115-V119 HydrophobicContact CB-CB 3.96Å; F115-V119 HydrophobicContact CB-CG1 4.14Å; F115-V119 HydrophobicContact CB-CG2 4.29Å; F115-V119 HydrophobicContact CD1-CG1 4.26Å; F115-V119 HydrophobicContact CG-CG1 4.31Å; F115-W120 AromaticContact CD2-CZ2 3.99Å; F115-W120 HydrophobicContact CD2-CZ2 3.99Å; F115-C161 HydrophobicContact CE2-CB 4Å; F115-C161 HydrophobicContact CZ-CB 4.48Å
116Q61.9Low64.1Low147 Ų14780.6 Ų80.669%0.68742%0.42SS*.  trans-55.7141.5170.6-66.9-177.8-18.400109.5T118 V119Q116-T118 WeakPolarHBondContact CB-OG1 3.4Å; Q116-T118 PolarHBondContact O-N 3.44Å; Q116-V119 HydrophobicContact CB-CG2 4.42Å; Q116-V119 WeakPolarHBondContact O-CB 3.36Å; Q116-V119 PolarHBondContact O-N 3.26Å
117W67.9Low65.4Low184 Ų18477.3 Ų77.370%0.69741%0.409SS*.Hα-helixtrans-51.3-29.7179.466.6-90.4000113.1F115 V119 W120 I121F115-W117 PolarHBondContact O-N 3.12Å; W117-V119 VanDerWaalsContact C-N 3.31Å; W117-V119 PolarHBondContact O-N 3.28Å; W117-W120 PolarHBondContact O-N 3.13Å; W117-I121 HydrophobicContact CE3-CD1 3.38Å; W117-I121 HydrophobicContact CE3-CG1 4.22Å; W117-I121 HydrophobicContact CZ3-CD1 3.42Å; W117-I121 VanDerWaalsContact CZ3-CD1 3.42Å; W117-I121 PolarHBondContact O-N 3.25Å
118T73.9Confident66.7Low63 Ų6378.4 Ų78.439%0.38741%0.412SS..Hα-helixtrans-60.4-35.7174.651.90000113.2Q116 G122Q116-T118 WeakPolarHBondContact CB-OG1 3.4Å; Q116-T118 PolarHBondContact O-N 3.44Å; T118-G122 PolarHBondContact O-N 3.16Å
119V70.1Confident68.2Low57 Ų5772.3 Ų72.335%0.34539%0.391SS..Hα-helixtrans-67.1-45177.1179.60000110F115 Q116 W117 G122 L123F115-V119 HydrophobicContact CB-CB 3.96Å; F115-V119 HydrophobicContact CB-CG1 4.14Å; F115-V119 HydrophobicContact CB-CG2 4.29Å; F115-V119 HydrophobicContact CD1-CG1 4.26Å; F115-V119 HydrophobicContact CG-CG1 4.31Å; Q116-V119 HydrophobicContact CB-CG2 4.42Å; Q116-V119 WeakPolarHBondContact O-CB 3.36Å; Q116-V119 PolarHBondContact O-N 3.26Å; W117-V119 VanDerWaalsContact C-N 3.31Å; W117-V119 PolarHBondContact O-N 3.28Å; V119-G122 PolarHBondContact O-N 3.25Å; V119-L123 HydrophobicContact CG1-CD1 4.38Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.25Å
120W69.8Low69.4Low37 Ų3771.5 Ų71.514%0.1438%0.381CS..Hα-helixtrans-62.3-44.6177.4-66.5112.3000112.1L112 F115 W117 G122 L123 L124 C161 L162L112-W120 HydrophobicContact CD2-CD2 4Å; L112-W120 HydrophobicContact CD2-CE3 4.42Å; L112-W120 HydrophobicContact CD2-CG 4.35Å; L112-W120 HydrophobicContact CD2-CZ2 4.13Å; L112-W120 PolarHBondContact O-NE1 2.94Å; F115-W120 AromaticContact CD2-CZ2 3.99Å; F115-W120 HydrophobicContact CD2-CZ2 3.99Å; W117-W120 PolarHBondContact O-N 3.13Å; W120-G122 VanDerWaalsContact C-N 3.33Å; W120-G122 PolarHBondContact O-N 2.78Å; W120-L123 HydrophobicContact CE3-CD1 4.29Å; W120-L123 PolarHBondContact O-N 2.91Å; W120-L124 WeakPolarHBondContact O-CG 3.28Å; W120-L124 PolarHBondContact O-N 3.31Å; W120-C161 HydrophobicContact CH2-CB 4.45Å; W120-L162 HydrophobicContact CH2-CD2 4.22Å
121I81.2Confident70.3Confident78 Ų7875.1 Ų75.140%0.439%0.393SS..Hα-helixtrans-63.7-41.1174.8-67.9-174.7000111.1W117 L123 L124 L125W117-I121 HydrophobicContact CE3-CD1 3.38Å; W117-I121 HydrophobicContact CE3-CG1 4.22Å; W117-I121 HydrophobicContact CZ3-CD1 3.42Å; W117-I121 VanDerWaalsContact CZ3-CD1 3.42Å; W117-I121 PolarHBondContact O-N 3.25Å; I121-L123 VanDerWaalsContact C-N 3.32Å; I121-L123 PolarHBondContact O-N 3.16Å; I121-L124 PolarHBondContact O-N 2.77Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 HydrophobicContact CG2-CG 4.16Å; I121-L125 WeakPolarHBondContact O-CB 3.05Å; I121-L125 WeakPolarHBondContact O-CG 3.05Å; I121-L125 PolarHBondContact O-N 3.45Å
122G78.1Confident71.4Confident36 Ų3675.7 Ų75.737%0.37140%0.396SS..Hα-helixtrans-57.9-43.8175.100000112.5T118 V119 W120 L125 A126T118-G122 PolarHBondContact O-N 3.16Å; V119-G122 PolarHBondContact O-N 3.25Å; W120-G122 VanDerWaalsContact C-N 3.33Å; W120-G122 PolarHBondContact O-N 2.78Å; G122-L125 PolarHBondContact O-N 3.23Å; G122-A126 WeakPolarHBondContact O-CB 3.3Å; G122-A126 PolarHBondContact O-N 2.84Å
123L76.1Confident72.3Confident23 Ų2375 Ų7512%0.1239%0.392CS..Hα-helixtrans-64.7-42.3175.7-71.9171.9000112.1V119 W120 I121 A126 A127 M157V119-L123 HydrophobicContact CG1-CD1 4.38Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.25Å; W120-L123 HydrophobicContact CE3-CD1 4.29Å; W120-L123 PolarHBondContact O-N 2.91Å; I121-L123 VanDerWaalsContact C-N 3.32Å; I121-L123 PolarHBondContact O-N 3.16Å; L123-A126 PolarHBondContact O-N 3.46Å; L123-A127 WeakPolarHBondContact O-CB 3.14Å; L123-A127 PolarHBondContact O-N 2.82Å; L123-M157 HydrophobicContact CD2-CB 4.15Å
124L81.2Confident72.8Confident117 Ų11770.3 Ų70.361%0.61337%0.371SS*.Hα-helixtrans-65.2-41.4176.4-72.1172.4000112.3W120 I121 A126 A127 F128W120-L124 WeakPolarHBondContact O-CG 3.28Å; W120-L124 PolarHBondContact O-N 3.31Å; I121-L124 PolarHBondContact O-N 2.77Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 3.12Å; L124-F128 WeakPolarHBondContact O-CB 3.39Å; L124-F128 PolarHBondContact O-N 2.89Å
125L84.3Confident73.6Confident110 Ų11072.3 Ų72.358%0.57637%0.373SS*.Hα-helixtrans-64.9-39.6175-73.4173.8000111.5I121 G122 F128 A129I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 HydrophobicContact CG2-CG 4.16Å; I121-L125 WeakPolarHBondContact O-CB 3.05Å; I121-L125 WeakPolarHBondContact O-CG 3.05Å; I121-L125 PolarHBondContact O-N 3.45Å; G122-L125 PolarHBondContact O-N 3.23Å; L125-F128 PolarHBondContact O-N 3.44Å; L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.47Å; L125-A129 PolarHBondContact O-N 3.1Å
126A77.1Confident74.2Confident44 Ų4474 Ų7436%0.36438%0.384SS..Hα-helixtrans-64.7-39.6174.200000111.8G122 L123 L124 A129 A130 V154G122-A126 WeakPolarHBondContact O-CB 3.3Å; G122-A126 PolarHBondContact O-N 2.84Å; L123-A126 PolarHBondContact O-N 3.46Å; L124-A126 VanDerWaalsContact C-N 3.35Å; A126-A129 PolarHBondContact O-N 3.09Å; A126-A130 WeakPolarHBondContact O-CB 3.26Å; A126-A130 PolarHBondContact O-N 3.4Å; A126-V154 HydrophobicContact CB-CG2 4.4Å
127A76.1Confident74.4Confident19 Ų1973.3 Ų73.316%0.15738%0.375CS..Hα-helixtrans-62.2-46.2174.700000111.3L123 L124 A130 W131 V154L123-A127 WeakPolarHBondContact O-CB 3.14Å; L123-A127 PolarHBondContact O-N 2.82Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 3.12Å; A127-A130 PolarHBondContact O-N 2.72Å; A127-W131 WeakPolarHBondContact O-CB 3.41Å; A127-W131 PolarHBondContact O-N 2.84Å; A127-V154 HydrophobicContact CB-CG1 3.56Å
128F77.1Confident74.3Confident126 Ų12668.7 Ų68.755%0.55337%0.367SS*.Hα-helixtrans-64.5-40.6177.5-175.1-100000112L124 L125 W131 T132L124-F128 WeakPolarHBondContact O-CB 3.39Å; L124-F128 PolarHBondContact O-N 2.89Å; L125-F128 PolarHBondContact O-N 3.44Å; F128-W131 HydrophobicContact CD2-CE3 4.31Å; F128-W131 HydrophobicContact CE2-CE3 4.17Å; F128-W131 HydrophobicContact CE2-CZ3 4.15Å; F128-W131 PolarHBondContact O-N 3.36Å; F128-T132 HydrophobicContact CD1-CG2 4.14Å; F128-T132 HydrophobicContact CE1-CG2 3.71Å; F128-T132 HydrophobicContact CE2-CG2 4.21Å; F128-T132 HydrophobicContact CZ-CG2 3.75Å; F128-T132 WeakPolarHBondContact O-CB 3.08Å; F128-T132 WeakPolarHBondContact O-CG2 3.35Å; F128-T132 PolarHBondContact O-N 2.65Å; F128-T132 PolarHBondContact O-OG1 3.34Å
129A79.5Confident73.9Confident44 Ų4470.5 Ų70.536%0.36438%0.378SS..Hα-helixtrans-63.9-43.7175.200000111.8L125 A126 T132 I133L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.47Å; L125-A129 PolarHBondContact O-N 3.1Å; A126-A129 PolarHBondContact O-N 3.09Å; A129-T132 WeakPolarHBondContact CA-OG1 3.28Å; A129-T132 PolarHBondContact O-N 2.68Å; A129-T132 PolarHBondContact O-OG1 3.29Å; A129-I133 WeakPolarHBondContact O-CD1 3.4Å; A129-I133 WeakPolarHBondContact O-CG1 3.35Å; A129-I133 PolarHBondContact O-N 3.15Å; A129-I133 VanDerWaalsContact O-N 3.07Å
130A74.9Confident73.6Confident14 Ų1477.7 Ų77.712%0.11640%0.399CS..Hα-helixtrans-62.1-47.317600000111.3A126 A127 T132 I133 D134 V154A126-A130 WeakPolarHBondContact O-CB 3.26Å; A126-A130 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 2.72Å; A130-T132 PolarHBondContact O-N 2.92Å; A130-I133 PolarHBondContact O-N 3.2Å; A130-D134 PolarHBondContact O-N 3.24Å; A130-V154 HydrophobicContact CB-CG2 4.21Å
131W73.4Confident73.2Confident124 Ų12481.3 Ų81.347%0.4742%0.421SS..Hα-helixtrans-61.5-44.3178.1178.971.4000112.8A127 F128 I133 D134 E135 L151A127-W131 WeakPolarHBondContact O-CB 3.41Å; A127-W131 PolarHBondContact O-N 2.84Å; F128-W131 HydrophobicContact CD2-CE3 4.31Å; F128-W131 HydrophobicContact CE2-CE3 4.17Å; F128-W131 HydrophobicContact CE2-CZ3 4.15Å; F128-W131 PolarHBondContact O-N 3.36Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 2.79Å; W131-D134 PolarHBondContact O-N 3.14Å; W131-E135 HydrophobicContact CD2-CG 4.23Å; W131-E135 HydrophobicContact CH2-CG 4.23Å; W131-E135 HydrophobicContact CZ2-CG 3.67Å; W131-E135 PolarHBondContact O-N 3.31Å; W131-L151 HydrophobicContact CB-CD1 4.36Å
132T77.1Confident72.2Confident41 Ų4180.6 Ų80.625%0.25243%0.432SS..Hα-helixtrans-64.6-36.2177.748.30000112.4F128 A129 A130 I136F128-T132 HydrophobicContact CD1-CG2 4.14Å; F128-T132 HydrophobicContact CE1-CG2 3.71Å; F128-T132 HydrophobicContact CE2-CG2 4.21Å; F128-T132 HydrophobicContact CZ-CG2 3.75Å; F128-T132 WeakPolarHBondContact O-CB 3.08Å; F128-T132 WeakPolarHBondContact O-CG2 3.35Å; F128-T132 PolarHBondContact O-N 2.65Å; F128-T132 PolarHBondContact O-OG1 3.34Å; A129-T132 WeakPolarHBondContact CA-OG1 3.28Å; A129-T132 PolarHBondContact O-N 2.68Å; A129-T132 PolarHBondContact O-OG1 3.29Å; A130-T132 PolarHBondContact O-N 2.92Å; T132-I136 WeakPolarHBondContact O-CB 3.43Å; T132-I136 WeakPolarHBondContact O-CD1 3.03Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.23Å
133I73.8Confident71.3Confident87 Ų8783.2 Ų83.245%0.44644%0.437SS..Hα-helixtrans-65.2-41.1174.2-68.6164.8000110.9A129 A130 W131 I136 R137A129-I133 WeakPolarHBondContact O-CD1 3.4Å; A129-I133 WeakPolarHBondContact O-CG1 3.35Å; A129-I133 PolarHBondContact O-N 3.15Å; A129-I133 VanDerWaalsContact O-N 3.07Å; A130-I133 PolarHBondContact O-N 3.2Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 2.79Å; I133-I136 PolarHBondContact O-N 2.01Å; I133-R137 WeakPolarHBondContact O-CG 3.06Å; I133-R137 PolarHBondContact O-N 2.66Å
134D67.7Low70.4Confident25 Ų2587.1 Ų87.113%0.13447%0.466CS..Hα-helixtrans-66.9-44178.6-72.3-21.9000111.2A130 W131 I136 R137 V138A130-D134 PolarHBondContact O-N 3.24Å; W131-D134 PolarHBondContact O-N 3.14Å; D134-I136 PolarHBondContact O-N 2.92Å; D134-R137 WeakPolarHBondContact O-CB 3.2Å; D134-R137 PolarHBondContact O-N 3.29Å; D134-R137 VanDerWaalsContact O-N 3.13Å; D134-V138 WeakPolarHBondContact O-CG2 3.29Å; D134-V138 PolarHBondContact O-N 3.38Å
135E68.6Low69Low84 Ų8487.7 Ų87.739%0.39347%0.469SS..Hα-helixtrans-60.5-42.4173.2-78.1-65.6161.100112.3W131 R137 V138 V139W131-E135 HydrophobicContact CD2-CG 4.23Å; W131-E135 HydrophobicContact CH2-CG 4.23Å; W131-E135 HydrophobicContact CZ2-CG 3.67Å; W131-E135 PolarHBondContact O-N 3.31Å; E135-R137 VanDerWaalsContact C-N 3.29Å; E135-R137 PolarHBondContact O-N 3.25Å; E135-V138 PolarHBondContact O-N 2.84Å; E135-V139 WeakPolarHBondContact O-CB 3.41Å; E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 2.96Å
136I69.6Low67.5Low94 Ų9488.3 Ų88.348%0.48248%0.478SS..Hα-helixtrans-61.2-40.6175.6-70.3164.6000110.4T132 I133 D134 W140T132-I136 WeakPolarHBondContact O-CB 3.43Å; T132-I136 WeakPolarHBondContact O-CD1 3.03Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.23Å; I133-I136 PolarHBondContact O-N 2.01Å; D134-I136 PolarHBondContact O-N 2.92Å; I136-W140 VanDerWaalsContact O-CB 3.24Å; I136-W140 WeakPolarHBondContact O-CB 3.3Å; I136-W140 PolarHBondContact O-N 3.08Å
137R65.4Low66.5Low132 Ų13294.3 Ų94.350%0.49850%0.496SS..Hα-helixtrans-65.4-41.3177-75.4174.4174.6-173.60.4112.6I133 D134 E135 L141 G142I133-R137 WeakPolarHBondContact O-CG 3.06Å; I133-R137 PolarHBondContact O-N 2.66Å; D134-R137 WeakPolarHBondContact O-CB 3.2Å; D134-R137 PolarHBondContact O-N 3.29Å; D134-R137 VanDerWaalsContact O-N 3.13Å; E135-R137 VanDerWaalsContact C-N 3.29Å; E135-R137 PolarHBondContact O-N 3.25Å; R137-L141 HydrophobicContact CG-CD1 4.31Å; R137-L141 WeakPolarHBondContact O-CA 3.2Å; R137-L141 WeakPolarHBondContact O-CB 3.21Å; R137-L141 PolarHBondContact O-N 3.44Å; R137-G142 PolarHBondContact O-N 3.21Å
138V64.6Low66Low87 Ų8797.6 Ų97.653%0.52751%0.511SS..Hα-helixtrans-69.1-49.6179.5174.50000110.7D134 E135 G142D134-V138 WeakPolarHBondContact O-CG2 3.29Å; D134-V138 PolarHBondContact O-N 3.38Å; E135-V138 PolarHBondContact O-N 2.84Å; V138-G142 PolarHBondContact O-N 3.14Å
139V66Low65.5Low102 Ų10295.6 Ų95.662%0.61851%0.509SS*.Hα-helixtrans-73.9-43.3-174.4175.80000112.4E135E135-V139 WeakPolarHBondContact O-CB 3.41Å; E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 2.96Å
140W63.2Low64.8Low207 Ų20795.1 Ų95.178%0.78451%0.508SS*.Hα-helixtrans-96.5-32.5-171.5-70.680.4000114.3I136I136-W140 VanDerWaalsContact O-CB 3.24Å; I136-W140 WeakPolarHBondContact O-CB 3.3Å; I136-W140 PolarHBondContact O-N 3.08Å
141L63.2Low64.6Low114 Ų11496.5 Ų96.560%0.59751%0.513SS*.Hα-helixtrans-104.8-11.1-174.1-63168.7000112.8R137 I143R137-L141 HydrophobicContact CG-CD1 4.31Å; R137-L141 WeakPolarHBondContact O-CA 3.2Å; R137-L141 WeakPolarHBondContact O-CB 3.21Å; R137-L141 PolarHBondContact O-N 3.44Å; L141-I143 HydrophobicContact CB-CD1 3.87Å; L141-I143 HydrophobicContact CB-CG1 3.95Å; L141-I143 HydrophobicContact CD1-CD1 4.41Å; L141-I143 PolarHBondContact O-N 2.91Å; L141-I143 VanDerWaalsContact O-N 3.12Å
142G58.8Low64.5Low62 Ų6296.9 Ų96.964%0.63952%0.519SS*.  trans61.618.3-179.300000113.5R137 V138 S144R137-G142 PolarHBondContact O-N 3.21Å; V138-G142 PolarHBondContact O-N 3.14Å; G142-S144 PolarHBondContact O-N 3.41Å
143I60.4Low64.4Low91 Ų9199.4 Ų99.447%0.46753%0.53SS..  trans-8793.3-178.8-60.3172.3000107.2L141 N145L141-I143 HydrophobicContact CB-CD1 3.87Å; L141-I143 HydrophobicContact CB-CG1 3.95Å; L141-I143 HydrophobicContact CD1-CD1 4.41Å; L141-I143 PolarHBondContact O-N 2.91Å; L141-I143 VanDerWaalsContact O-N 3.12Å; I143-N145 HydrophobicContact CG2-CB 3.73Å; I143-N145 PolarHBondContact O-N 2.75Å; I143-N145 VanDerWaalsContact O-N 3.08Å
144S55.8Low64.3Low105 Ų10596 Ų9673%0.73451%0.513SS*.  trans-80.333.2173.968.80000112.9G142 T146G142-S144 PolarHBondContact O-N 3.41Å; S144-T146 PolarHBondContact O-N 3.22Å
145N52.3Low64.7Low129 Ų129102 Ų10269%0.6953%0.534SS*.  trans-80.3114.1-174.1-136.1-2.8000110.3I143 K147I143-N145 HydrophobicContact CG2-CB 3.73Å; I143-N145 PolarHBondContact O-N 2.75Å; I143-N145 VanDerWaalsContact O-N 3.08Å; N145-K147 PolarHBondContact O-N 3.36Å
146T53Low65Low123 Ų123101.6 Ų101.676%0.75553%0.534SS*.SBendtrans-67.628.7-162.246.20000116.9S144S144-T146 PolarHBondContact O-N 3.22Å
147K56.9Low65.2Low170 Ų170101.6 Ų101.674%0.73953%0.533SS*.  trans-121.782.8178.9-66.8-171.7179.2-179.30110N145 V149N145-K147 PolarHBondContact O-N 3.36Å; K147-V149 HydrophobicContact CB-CG2 4Å; K147-V149 PolarHBondContact O-N 3.25Å
148D64.8Low65.6Low89 Ų8996.6 Ų96.648%0.47652%0.516SS..  trans-71.656.7172.4-57.2-23.2000110.5G150 L151 F152D148-G150 PolarHBondContact O-N 3.24Å; D148-L151 HydrophobicContact CB-CB 4.2Å; D148-L151 PolarHBondContact O-N 3.09Å; D148-F152 VanDerWaalsContact O-CB 3.28Å; D148-F152 WeakPolarHBondContact O-CB 3.41Å; D148-F152 PolarHBondContact O-N 2.94Å
149V65.5Low66Low84 Ų8495.2 Ų95.251%0.50951%0.514SS..Hα-helixtrans-60.7-36.2-175.2-179.60000110.7K147 L153K147-V149 HydrophobicContact CB-CG2 4Å; K147-V149 PolarHBondContact O-N 3.25Å; V149-L153 HydrophobicContact CG1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CG 4.3Å; V149-L153 WeakPolarHBondContact O-CB 3.3Å; V149-L153 VanDerWaalsContact O-CG 3.23Å; V149-L153 WeakPolarHBondContact O-CG 3.49Å; V149-L153 PolarHBondContact O-N 3.34Å
150G65.9Low66.5Low33 Ų3394.7 Ų94.734%0.3451%0.507SS..Hα-helixtrans-64.1-53.7178.900000111.9D148 F152 L153 V154D148-G150 PolarHBondContact O-N 3.24Å; G150-F152 VanDerWaalsContact C-N 3.32Å; G150-F152 PolarHBondContact O-N 3.4Å; G150-L153 PolarHBondContact O-N 3.49Å; G150-V154 WeakPolarHBondContact O-CG2 3.33Å; G150-V154 PolarHBondContact O-N 2.99Å; G150-V154 VanDerWaalsContact O-N 3.13Å
151L69.8Low66.8Low44 Ų4485.6 Ų85.623%0.2348%0.475CS..Hα-helixtrans-60.7-42.2176.7-164.572000111.4W131 D148 L153 V154 W155W131-L151 HydrophobicContact CB-CD1 4.36Å; D148-L151 HydrophobicContact CB-CB 4.2Å; D148-L151 PolarHBondContact O-N 3.09Å; L151-L153 PolarHBondContact O-N 2.7Å; L151-V154 PolarHBondContact O-N 2.68Å; L151-W155 PolarHBondContact O-N 3.02Å
152F71.9Confident67.1Low132 Ų13284.1 Ų84.158%0.57947%0.467SS*.Hα-helixtrans-58.9-45.1176177.5-97.8000112.5D148 G150 V154 W155 L156D148-F152 VanDerWaalsContact O-CB 3.28Å; D148-F152 WeakPolarHBondContact O-CB 3.41Å; D148-F152 PolarHBondContact O-N 2.94Å; G150-F152 VanDerWaalsContact C-N 3.32Å; G150-F152 PolarHBondContact O-N 3.4Å; F152-V154 VanDerWaalsContact C-N 3.33Å; F152-V154 PolarHBondContact O-N 3.16Å; F152-W155 PolarHBondContact O-N 2.91Å; F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CZ-CD1 3.96Å; F152-L156 VanDerWaalsContact O-CB 3.31Å; F152-L156 WeakPolarHBondContact O-CB 3.35Å; F152-L156 PolarHBondContact O-N 3.38Å
153L74.1Confident67.7Low93 Ų9384.8 Ų84.849%0.48746%0.462SS..Hα-helixtrans-63.5-39.3178.2-76.1171.6000111.9V149 G150 L151 L156 M157V149-L153 HydrophobicContact CG1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CG 4.3Å; V149-L153 WeakPolarHBondContact O-CB 3.3Å; V149-L153 VanDerWaalsContact O-CG 3.23Å; V149-L153 WeakPolarHBondContact O-CG 3.49Å; V149-L153 PolarHBondContact O-N 3.34Å; G150-L153 PolarHBondContact O-N 3.49Å; L151-L153 PolarHBondContact O-N 2.7Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-M157 VanDerWaalsContact O-CG 3.3Å; L153-M157 WeakPolarHBondContact O-CG 3.28Å; L153-M157 PolarHBondContact O-N 2.71Å
154V72.2Confident67.9Low17 Ų1783.7 Ų83.710%0.10346%0.462CS..Hα-helixtrans-66.9-44.1177.8179.50000111.2A126 A127 A130 G150 L151 F152 L156 M157 I158A126-V154 HydrophobicContact CB-CG2 4.4Å; A127-V154 HydrophobicContact CB-CG1 3.56Å; A130-V154 HydrophobicContact CB-CG2 4.21Å; G150-V154 WeakPolarHBondContact O-CG2 3.33Å; G150-V154 PolarHBondContact O-N 2.99Å; G150-V154 VanDerWaalsContact O-N 3.13Å; L151-V154 PolarHBondContact O-N 2.68Å; F152-V154 VanDerWaalsContact C-N 3.33Å; F152-V154 PolarHBondContact O-N 3.16Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 3.28Å; V154-M157 PolarHBondContact O-N 3.4Å; V154-I158 HydrophobicContact CG1-CD1 4.11Å; V154-I158 WeakPolarHBondContact O-CG1 3.2Å; V154-I158 PolarHBondContact O-N 3.14Å
155W76.4Confident68.3Low151 Ų15180.1 Ų80.157%0.57243%0.432SS*.Hα-helixtrans-64.1-36.1174.9-77114.7000112.9L151 F152 I158 A159L151-W155 PolarHBondContact O-N 3.02Å; F152-W155 PolarHBondContact O-N 2.91Å; W155-I158 HydrophobicContact CD2-CD1 4.48Å; W155-I158 HydrophobicContact CE3-CB 4.5Å; W155-I158 HydrophobicContact CE3-CD1 3.93Å; W155-I158 HydrophobicContact CE3-CG2 4.49Å; W155-I158 HydrophobicContact CZ3-CD1 4.13Å; W155-I158 PolarHBondContact O-N 3.31Å; W155-A159 WeakPolarHBondContact O-CB 3.33Å; W155-A159 PolarHBondContact O-N 2.77Å
156L75.6Confident68.7Low74 Ų7475.6 Ų75.639%0.38742%0.416SS..Hα-helixtrans-64.2-41.6173.9-171.8122000111.3F152 L153 V154 A159 L160F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CZ-CD1 3.96Å; F152-L156 VanDerWaalsContact O-CB 3.31Å; F152-L156 WeakPolarHBondContact O-CB 3.35Å; F152-L156 PolarHBondContact O-N 3.38Å; L153-L156 PolarHBondContact O-N 2.88Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 3.28Å; L156-A159 PolarHBondContact O-N 2.92Å; L156-L160 HydrophobicContact CD2-CD1 3.74Å; L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 WeakPolarHBondContact O-CB 3.19Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.22Å
157M74Confident69.1Low95 Ų9573.1 Ų73.147%0.46840%0.404SS..Hα-helixtrans-63-42.5174.2-72.3-63.3-64.200111.8L123 L153 V154 L160 C161L123-M157 HydrophobicContact CD2-CB 4.15Å; L153-M157 VanDerWaalsContact O-CG 3.3Å; L153-M157 WeakPolarHBondContact O-CG 3.28Å; L153-M157 PolarHBondContact O-N 2.71Å; V154-M157 PolarHBondContact O-N 3.4Å; M157-L160 PolarHBondContact O-N 3.2Å; M157-C161 WeakPolarHBondContact O-CB 3.22Å; M157-C161 PolarHBondContact O-N 3.42Å; M157-C161 PolarHBondContact O-SG 3.48Å; M157-C161 VanDerWaalsContact O-SG 3.35Å
158I73Confident69.2Low27 Ų2769.1 Ų69.114%0.13839%0.39CS..Hα-helixtrans-60.7-46174.3-67.7167.3000110.5V154 W155 L160 C161 L162V154-I158 HydrophobicContact CG1-CD1 4.11Å; V154-I158 WeakPolarHBondContact O-CG1 3.2Å; V154-I158 PolarHBondContact O-N 3.14Å; W155-I158 HydrophobicContact CD2-CD1 4.48Å; W155-I158 HydrophobicContact CE3-CB 4.5Å; W155-I158 HydrophobicContact CE3-CD1 3.93Å; W155-I158 HydrophobicContact CE3-CG2 4.49Å; W155-I158 HydrophobicContact CZ3-CD1 4.13Å; W155-I158 PolarHBondContact O-N 3.31Å; I158-L160 PolarHBondContact O-N 3.03Å; I158-C161 PolarHBondContact O-N 3.25Å; I158-L162 HydrophobicContact CG2-CD1 4.02Å; I158-L162 WeakPolarHBondContact O-CG 3.04Å; I158-L162 PolarHBondContact O-N 3.39Å
159A74Confident68.8Low58 Ų5866.7 Ų66.748%0.47938%0.378SS..Hα-helixtrans-63.2-39.6178.500000112.5W155 L156 L162 S163W155-A159 WeakPolarHBondContact O-CB 3.33Å; W155-A159 PolarHBondContact O-N 2.77Å; L156-A159 PolarHBondContact O-N 2.92Å; A159-L162 PolarHBondContact O-N 3.4Å; A159-S163 WeakPolarHBondContact O-CB 3.18Å; A159-S163 PolarHBondContact O-N 2.95Å
160L74.8Confident68.1Low90 Ų9065.4 Ų65.447%0.47137%0.373SS..Hα-helixtrans-66.5-42.9175-73.3171.7000111.7L156 M157 I158 L162 S163 C164L156-L160 HydrophobicContact CD2-CD1 3.74Å; L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 WeakPolarHBondContact O-CB 3.19Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.22Å; M157-L160 PolarHBondContact O-N 3.2Å; I158-L160 PolarHBondContact O-N 3.03Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.42Å; L160-S163 PolarHBondContact O-N 3.25Å; L160-S163 VanDerWaalsContact O-N 3.16Å; L160-C164 PolarHBondContact O-N 2.91Å; L160-C164 PolarHBondContact O-SG 3.5Å; L160-C164 VanDerWaalsContact O-SG 3.41Å
161C70.4Confident67.4Low16 Ų1668.7 Ų68.711%0.10838%0.382CS..Hα-helixtrans-58.8-43.5174-74.80000111.7F115 W120 M157 I158 C164 Y165F115-C161 HydrophobicContact CE2-CB 4Å; F115-C161 HydrophobicContact CZ-CB 4.48Å; W120-C161 HydrophobicContact CH2-CB 4.45Å; M157-C161 WeakPolarHBondContact O-CB 3.22Å; M157-C161 PolarHBondContact O-N 3.42Å; M157-C161 PolarHBondContact O-SG 3.48Å; M157-C161 VanDerWaalsContact O-SG 3.35Å; I158-C161 PolarHBondContact O-N 3.25Å; C161-C164 PolarHBondContact O-N 2.81Å; C161-Y165 WeakPolarHBondContact O-CB 3.39Å; C161-Y165 PolarHBondContact O-N 3.29Å
162L69.6Low66.4Low84 Ų8469.1 Ų69.144%0.4439%0.388SS..Hα-helixtrans-67.2-33.9175.3-69.7170.9000112.6W120 I158 A159 L160 Y165 G166W120-L162 HydrophobicContact CH2-CD2 4.22Å; I158-L162 HydrophobicContact CG2-CD1 4.02Å; I158-L162 WeakPolarHBondContact O-CG 3.04Å; I158-L162 PolarHBondContact O-N 3.39Å; A159-L162 PolarHBondContact O-N 3.4Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.42Å; L162-Y165 WeakPolarHBondContact O-CB 3.2Å; L162-Y165 PolarHBondContact O-N 2.84Å; L162-G166 PolarHBondContact O-N 3.14Å
163S71Confident65.2Low76 Ų7663 Ų6353%0.53136%0.363SS..Hα-helixtrans-70.7-42.5175.4-173.30000112.3A159 L160 Y165 G166 S167A159-S163 WeakPolarHBondContact O-CB 3.18Å; A159-S163 PolarHBondContact O-N 2.95Å; L160-S163 PolarHBondContact O-N 3.25Å; L160-S163 VanDerWaalsContact O-N 3.16Å; S163-Y165 PolarHBondContact O-N 3.47Å; S163-G166 PolarHBondContact O-N 2.87Å; S163-S167 PolarHBondContact O-N 2.75Å
164C65.1Low63.6Low68 Ų6866.2 Ų66.246%0.45937%0.369SS..Hα-helixtrans-61.7-35.6173.1-70.30000111.3L160 C161 S167 L168L160-C164 PolarHBondContact O-N 2.91Å; L160-C164 PolarHBondContact O-SG 3.5Å; L160-C164 VanDerWaalsContact O-SG 3.41Å; C161-C164 PolarHBondContact O-N 2.81Å; C164-S167 PolarHBondContact O-N 3.19Å; C164-L168 PolarHBondContact O-N 3.22Å
165Y63.5Low62.2Low30 Ų3070.2 Ų70.212%0.11839%0.39CS..Hα-helixtrans-60.6-47172.2171.3-100.2000112.1V111 A114 C161 L162 S163 S167 L168 V169V111-Y165 VanDerWaalsContact CA-CZ 3.45Å; V111-Y165 VanDerWaalsContact CA-OH 3.31Å; V111-Y165 WeakPolarHBondContact CA-OH 3.16Å; V111-Y165 HydrophobicContact CB-CE1 4.39Å; V111-Y165 HydrophobicContact CG1-CD1 4.46Å; V111-Y165 HydrophobicContact CG1-CE1 3.92Å; V111-Y165 HydrophobicContact CG2-CE1 4.34Å; V111-Y165 WeakPolarHBondContact CG2-OH 3.26Å; A114-Y165 HydrophobicContact CB-CD2 3.59Å; A114-Y165 HydrophobicContact CB-CE2 4.2Å; C161-Y165 WeakPolarHBondContact O-CB 3.39Å; C161-Y165 PolarHBondContact O-N 3.29Å; L162-Y165 WeakPolarHBondContact O-CB 3.2Å; L162-Y165 PolarHBondContact O-N 2.84Å; S163-Y165 PolarHBondContact O-N 3.47Å; Y165-S167 PolarHBondContact O-N 3.19Å; Y165-L168 CarbonylContact O-C 3.55Å; Y165-L168 WeakPolarHBondContact O-CA 3.25Å; Y165-L168 PolarHBondContact O-N 2.92Å; Y165-V169 HydrophobicContact CD1-CG2 3.91Å; Y165-V169 HydrophobicContact CD2-CG2 3.81Å; Y165-V169 HydrophobicContact CE1-CG2 3.37Å; Y165-V169 HydrophobicContact CE2-CG2 3.27Å; Y165-V169 HydrophobicContact CG-CG2 4.1Å; Y165-V169 WeakPolarHBondContact O-CG2 3.14Å; Y165-V169 PolarHBondContact O-N 2.81Å; Y165-V169 VanDerWaalsContact OH-CG2 3.24Å; Y165-V169 WeakPolarHBondContact OH-CG2 3.37Å
166G61.1Low60.5Low34 Ų3463.9 Ų63.935%0.35137%0.37SS..Hα-helixtrans-55.2-38.1177.200000113L162 S163 S170L162-G166 PolarHBondContact O-N 3.14Å; S163-G166 PolarHBondContact O-N 2.87Å; G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.93Å; G166-S170 VanDerWaalsContact O-N 3.12Å; G166-S170 PolarHBondContact O-OG 2.96Å
167S60.8Low58.9Low70 Ų7064.4 Ų64.449%0.4937%0.373SS..Hα-helixtrans-69.1-43.2173.2-54.40000112.7S163 C164 Y165 S170 I171S163-S167 PolarHBondContact O-N 2.75Å; C164-S167 PolarHBondContact O-N 3.19Å; Y165-S167 PolarHBondContact O-N 3.19Å; S167-S170 PolarHBondContact O-N 3.3Å; S167-I171 VanDerWaalsContact O-CG1 3.31Å; S167-I171 WeakPolarHBondContact O-CG1 2.81Å; S167-I171 PolarHBondContact O-N 2.8Å; S167-I171 VanDerWaalsContact O-N 3.07Å
168L60.1Low57.5Low87 Ų8767.3 Ų67.346%0.45539%0.386SS..Hα-helixtrans-64.4-40.6177.3-82.7160.9000112.6A114 C164 Y165 S170 I171 S172A114-L168 HydrophobicContact CB-CD1 4.42Å; C164-L168 PolarHBondContact O-N 3.22Å; Y165-L168 CarbonylContact O-C 3.55Å; Y165-L168 WeakPolarHBondContact O-CA 3.25Å; Y165-L168 PolarHBondContact O-N 2.92Å; L168-S170 VanDerWaalsContact C-N 3.34Å; L168-I171 PolarHBondContact O-N 2.89Å; L168-S172 WeakPolarHBondContact O-CB 3.44Å; L168-S172 PolarHBondContact O-N 3.49Å; L168-S172 PolarHBondContact O-OG 2.51Å
169V55.5Low56.3Low37 Ų3770.6 Ų70.622%0.22440%0.401CS..Hα-helixtrans-64.3-41174.4175.10000111.1Y165 I171 S172 A173Y165-V169 HydrophobicContact CD1-CG2 3.91Å; Y165-V169 HydrophobicContact CD2-CG2 3.81Å; Y165-V169 HydrophobicContact CE1-CG2 3.37Å; Y165-V169 HydrophobicContact CE2-CG2 3.27Å; Y165-V169 HydrophobicContact CG-CG2 4.1Å; Y165-V169 WeakPolarHBondContact O-CG2 3.14Å; Y165-V169 PolarHBondContact O-N 2.81Å; Y165-V169 VanDerWaalsContact OH-CG2 3.24Å; Y165-V169 WeakPolarHBondContact OH-CG2 3.37Å; V169-I171 VanDerWaalsContact C-N 3.27Å; V169-I171 PolarHBondContact O-N 3.21Å; V169-S172 WeakPolarHBondContact CA-OG 3.46Å; V169-S172 PolarHBondContact O-N 2.96Å; V169-S172 PolarHBondContact O-OG 2.74Å; V169-A173 WeakPolarHBondContact O-CA 3.18Å; V169-A173 WeakPolarHBondContact O-CB 3.17Å; V169-A173 PolarHBondContact O-N 2.92Å
170S52.1Low55.2Low58 Ų5870 Ų7041%0.40639%0.394SS..Hα-helixtrans-62.2-40.3177.8-58.70000110.8G166 S167 L168 Y174G166-S170 WeakPolarHBondContact O-CB 3.42Å; G166-S170 PolarHBondContact O-N 2.93Å; G166-S170 VanDerWaalsContact O-N 3.12Å; G166-S170 PolarHBondContact O-OG 2.96Å; S167-S170 PolarHBondContact O-N 3.3Å; L168-S170 VanDerWaalsContact C-N 3.34Å; S170-Y174 VanDerWaalsContact O-CB 3.3Å; S170-Y174 WeakPolarHBondContact O-CB 3.05Å; S170-Y174 PolarHBondContact O-N 3.37Å
171I50.3Low54.6Low101 Ų10167 Ų6752%0.51838%0.378SS..Hα-helixtrans-73.3-39.5176.8-64.1165.3000111.6S167 L168 V169 Y174 N175S167-I171 VanDerWaalsContact O-CG1 3.31Å; S167-I171 WeakPolarHBondContact O-CG1 2.81Å; S167-I171 PolarHBondContact O-N 2.8Å; S167-I171 VanDerWaalsContact O-N 3.07Å; L168-I171 PolarHBondContact O-N 2.89Å; V169-I171 VanDerWaalsContact C-N 3.27Å; V169-I171 PolarHBondContact O-N 3.21Å; I171-Y174 WeakPolarHBondContact O-CB 3.44Å; I171-Y174 PolarHBondContact O-N 3.2Å; I171-N175 PolarHBondContact O-N 3.08Å
172S48.9Very low54.5Low53 Ų5368.5 Ų68.537%0.37139%0.389SS..Hα-helixtrans-72.7-36.7179.171.40000111.5L168 V169 Y174 N175 A176L168-S172 WeakPolarHBondContact O-CB 3.44Å; L168-S172 PolarHBondContact O-N 3.49Å; L168-S172 PolarHBondContact O-OG 2.51Å; V169-S172 WeakPolarHBondContact CA-OG 3.46Å; V169-S172 PolarHBondContact O-N 2.96Å; V169-S172 PolarHBondContact O-OG 2.74Å; S172-Y174 VanDerWaalsContact C-N 3.33Å; S172-N175 CarbonylContact O-C 3.54Å; S172-N175 PolarHBondContact O-N 3.33Å; S172-A176 WeakPolarHBondContact O-CA 3.28Å; S172-A176 WeakPolarHBondContact O-CB 3.25Å; S172-A176 PolarHBondContact O-N 2.89Å
173A46.5Very low54.6Low5 Ų567 Ų674%0.04138%0.383CS..Hα-helixtrans-64.5-38.6170.300000111V169 N175 A176 N177 M355V169-A173 WeakPolarHBondContact O-CA 3.18Å; V169-A173 WeakPolarHBondContact O-CB 3.17Å; V169-A173 PolarHBondContact O-N 2.92Å; A173-N175 VanDerWaalsContact C-N 3.33Å; A173-N175 PolarHBondContact O-N 3.18Å; A173-A176 PolarHBondContact O-N 3.1Å; A173-N177 WeakPolarHBondContact O-CB 3.16Å; A173-N177 PolarHBondContact O-N 2.86Å; A173-M355 HydrophobicContact CB-CE 4.32Å
174Y40Very low54.8Low160 Ų16065.4 Ų65.463%0.62737%0.371SS*.Hα-helixtrans-59.3-44.4171-176.2-94.5000111.6S170 I171 S172S170-Y174 VanDerWaalsContact O-CB 3.3Å; S170-Y174 WeakPolarHBondContact O-CB 3.05Å; S170-Y174 PolarHBondContact O-N 3.37Å; I171-Y174 WeakPolarHBondContact O-CB 3.44Å; I171-Y174 PolarHBondContact O-N 3.2Å; S172-Y174 VanDerWaalsContact C-N 3.33Å
175N42.6Very low55.8Low101 Ų10163.6 Ų63.654%0.5436%0.355SS..Hα-helixtrans-75.3-25.8177.2-72.4-16.4000113.7I171 S172 A173I171-N175 PolarHBondContact O-N 3.08Å; S172-N175 CarbonylContact O-C 3.54Å; S172-N175 PolarHBondContact O-N 3.33Å; A173-N175 VanDerWaalsContact C-N 3.33Å; A173-N175 PolarHBondContact O-N 3.18Å
176A42Very low56.6Low18 Ų1870.2 Ų70.215%0.14939%0.387CS..Hα-helixtrans-88.3-23.9-17700000113.8F106 S172 A173 Q178F106-A176 HydrophobicContact CE2-CB 3.53Å; F106-A176 HydrophobicContact CZ-CB 3.39Å; S172-A176 WeakPolarHBondContact O-CA 3.28Å; S172-A176 WeakPolarHBondContact O-CB 3.25Å; S172-A176 PolarHBondContact O-N 2.89Å; A173-A176 PolarHBondContact O-N 3.1Å; A176-Q178 CarbonylContact C-O 3.47Å; A176-Q178 CarbonylContact O-C 3.57Å; A176-Q178 PolarHBondContact O-N 3.01Å; A176-Q178 VanDerWaalsContact O-O 3.13Å
177N41.5Very low57.7Low85 Ų8570.7 Ų70.746%0.45538%0.383SS..THydrogen-bonded Turntrans-70.1-14172-93.20.9000112.6A173 M179 T356A173-N177 WeakPolarHBondContact O-CB 3.16Å; A173-N177 PolarHBondContact O-N 2.86Å; N177-M179 VanDerWaalsContact C-N 3.34Å; N177-M179 PolarHBondContact O-N 3.21Å; N177-M179 VanDerWaalsContact O-N 3.16Å; N177-T356 PolarHBondContact ND2-O 3.36Å
178Q44.3Very low58.8Low156 Ų15667.6 Ų67.673%0.72936%0.361SS*.THydrogen-bonded Turntrans-73.296.6150.3-66.3-169-3.700106.4A176 S180A176-Q178 CarbonylContact C-O 3.47Å; A176-Q178 CarbonylContact O-C 3.57Å; A176-Q178 PolarHBondContact O-N 3.01Å; A176-Q178 VanDerWaalsContact O-O 3.13Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 3.27Å
179M47.2Very low60.1Low95 Ų9567.7 Ų67.747%0.46836%0.359SS..THydrogen-bonded Turntrans-35.589.3-179.8-79.1-176170.900112N177 L181 K280N177-M179 VanDerWaalsContact C-N 3.34Å; N177-M179 PolarHBondContact O-N 3.21Å; N177-M179 VanDerWaalsContact O-N 3.16Å; M179-L181 HydrophobicContact CB-CD1 4.43Å; M179-L181 HydrophobicContact CB-CG 4.36Å; M179-L181 PolarHBondContact O-N 3.14Å; M179-L181 HydrophobicContact SD-CD1 4.43Å; M179-K280 PolarHBondContact O-NZ 2.8Å
180S52.1Low61.7Low47 Ų4768.2 Ų68.233%0.32936%0.361SS..  trans-83.267177.672.70000105.9S103 Q178 S182S103-S180 WeakPolarHBondContact CB-O 3.09Å; S103-S180 PolarHBondContact N-O 3.39Å; S103-S180 PolarHBondContact OG-O 2.61Å; S103-S180 VanDerWaalsContact OG-O 3.08Å; S103-S180 PolarHBondContact OG-OG 3.14Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 3.27Å; S180-S182 PolarHBondContact O-N 3.09Å
181L61.8Low63.4Low26 Ų2665.5 Ų65.514%0.13634%0.341CS..EExtended strand (participates in β ladder)trans-65.6122.5169.5-62.6159.2000106.1K101 M179 I278 K280K101-L181 CarbonylContact O-C 3.54Å; K101-L181 WeakPolarHBondContact O-CA 3.49Å; M179-L181 HydrophobicContact CB-CD1 4.43Å; M179-L181 HydrophobicContact CB-CG 4.36Å; M179-L181 PolarHBondContact O-N 3.14Å; M179-L181 HydrophobicContact SD-CD1 4.43Å; L181-I278 HydrophobicContact CD1-CB 4.09Å; L181-I278 HydrophobicContact CD1-CG2 4.25Å; L181-I278 HydrophobicContact CD2-CG2 4.48Å; L181-K280 HydrophobicContact CB-CG 4.3Å
182S67.6Low65.3Low48 Ų4860.9 Ų60.934%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-71.4132.6169.951.60000108.3K101 S180K101-S182 PolarHBondContact N-O 3.11Å; K101-S182 PolarHBondContact O-N 3.06Å; K101-S182 PolarHBondContact O-OG 3.38Å; S180-S182 PolarHBondContact O-N 3.09Å
183V72.6Confident67.3Low51 Ų5162.8 Ų62.831%0.30932%0.321SS..PPolyproline II helixtrans-76.3133.4169.1-1800000107.5L98 Y185 K280 V282L98-V183 HydrophobicContact CD1-CG1 3.74Å; V183-Y185 VanDerWaalsContact C-N 3.26Å; V183-Y185 WeakPolarHBondContact CG1-O 3.46Å; V183-Y185 PolarHBondContact O-N 3.36Å; V183-K280 HydrophobicContact CG2-CB 4.19Å; V183-K280 HydrophobicContact CG2-CG 4.42Å; V183-V282 HydrophobicContact CB-CG2 4.32Å; V183-V282 HydrophobicContact CG1-CG1 4.27Å; V183-V282 HydrophobicContact CG1-CG2 3.6Å; V183-V282 HydrophobicContact CG2-CG2 3.71Å
184P75.7Confident69.4Low44 Ų4462.6 Ų62.629%0.28632%0.32SS..SBendtrans-72.2-14.8-176.426.5-33.5000114.8
185Y85.1Confident71.8Confident29 Ų2955.5 Ų55.511%0.11429%0.293CS..  trans-127.4130.6-175-57-60.2000109.6L98 V183 D190 V191 A194 C200 I259L98-Y185 HydrophobicContact CD1-CD2 3.97Å; L98-Y185 HydrophobicContact CD2-CD2 4.1Å; L98-Y185 HydrophobicContact CD2-CE2 4.4Å; V183-Y185 VanDerWaalsContact C-N 3.26Å; V183-Y185 WeakPolarHBondContact CG1-O 3.46Å; V183-Y185 PolarHBondContact O-N 3.36Å; Y185-D190 HydrophobicContact CD1-CB 3.72Å; Y185-D190 HydrophobicContact CG-CB 4.33Å; Y185-V191 HydrophobicContact CD2-CG2 4.03Å; Y185-V191 HydrophobicContact CG-CG2 3.95Å; Y185-A194 HydrophobicContact CE1-CB 3.67Å; Y185-A194 WeakPolarHBondContact OH-CB 3.49Å; Y185-C200 PolarHBondContact OH-SG 2.63Å; Y185-I259 HydrophobicContact CD2-CD1 4.33Å; Y185-I259 HydrophobicContact CE2-CD1 3.9Å
186E79.9Confident74.1Confident170 Ų17053 Ų5379%0.79428%0.281SS*.SBendtrans-97.9-29.4-178.2-64.8-168.9167.900111.7D190E186-D190 PolarHBondContact N-OD2 2.81Å
187T85Confident76.4Confident44 Ų4458 Ų5827%0.2730%0.301SS..SBendtrans-124.2161.7-178.578.50000112.7H189 D190 V191 F284T187-H189 PolarHBondContact O-N 3.16Å; T187-H189 PolarHBondContact OG1-N 3.43Å; T187-D190 PolarHBondContact N-OD2 2.79Å; T187-D190 PolarHBondContact O-N 3.33Å; T187-D190 PolarHBondContact OG1-N 3.11Å; T187-D190 PolarHBondContact OG1-OD1 3.47Å; T187-D190 PolarHBondContact OG1-OD2 3.06Å; T187-V191 PolarHBondContact O-N 3.07Å; T187-F284 WeakPolarHBondContact O-CE1 3.45Å
188L85Confident78.6Confident4 Ų455.5 Ų55.52%0.02130%0.295CS..Hα-helixtrans-62.3-30.3171.9-175.164.6000111.8F96 V191 V192 F217 F220 F284 E286 L287F96-L188 HydrophobicContact CE1-CD1 4.46Å; F96-L188 HydrophobicContact CE2-CD1 3.79Å; F96-L188 HydrophobicContact CZ-CD1 3.58Å; L188-V191 WeakPolarHBondContact O-CB 3.48Å; L188-V191 PolarHBondContact O-N 2.81Å; L188-V192 WeakPolarHBondContact O-CG2 2.77Å; L188-V192 PolarHBondContact O-N 3.43Å; L188-V192 VanDerWaalsContact O-N 3.16Å; L188-F217 HydrophobicContact CD1-CD1 4.02Å; L188-F217 HydrophobicContact CD1-CE1 3.73Å; L188-F217 HydrophobicContact CG-CD1 4.48Å; L188-F220 HydrophobicContact CD2-CB 3.76Å; L188-F220 HydrophobicContact CD2-CG 4.45Å; L188-F284 HydrophobicContact CB-CB 4.33Å; L188-F284 HydrophobicContact CB-CG 4.37Å; L188-F284 HydrophobicContact CD1-CD2 4.2Å; L188-E286 HydrophobicContact CB-CB 4.46Å; L188-E286 HydrophobicContact CD2-CB 4.48Å; L188-L287 HydrophobicContact CD1-CD2 4.36Å; L188-L287 HydrophobicContact CD2-CD2 3.96Å
189H86.3Confident80.7Confident89 Ų8953.9 Ų53.941%0.41229%0.287SS..Hα-helixtrans-66.8-41.8178.2-17171.3000111.5T187 V191 V192 E193T187-H189 PolarHBondContact O-N 3.16Å; T187-H189 PolarHBondContact OG1-N 3.43Å; H189-V191 PolarHBondContact O-N 3.04Å; H189-V192 WeakPolarHBondContact O-CB 3.43Å; H189-V192 PolarHBondContact O-N 2.84Å; H189-E193 PolarHBondContact O-N 3.45Å
190D89.2Confident82.8Confident49 Ų4949.4 Ų49.426%0.26227%0.266SS..Hα-helixtrans-59.5-36.9177.2-44.9-20.8000111.2Y185 E186 T187 A194Y185-D190 HydrophobicContact CD1-CB 3.72Å; Y185-D190 HydrophobicContact CG-CB 4.33Å; E186-D190 PolarHBondContact N-OD2 2.81Å; T187-D190 PolarHBondContact N-OD2 2.79Å; T187-D190 PolarHBondContact O-N 3.33Å; T187-D190 PolarHBondContact OG1-N 3.11Å; T187-D190 PolarHBondContact OG1-OD1 3.47Å; T187-D190 PolarHBondContact OG1-OD2 3.06Å; D190-A194 WeakPolarHBondContact O-CB 3.16Å; D190-A194 PolarHBondContact O-N 3.18Å
191V88.6Confident84.6Confident0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-65-42.7175167.50000111.3F96 Y185 T187 L188 H189 L195 F217 I259 F284F96-V191 HydrophobicContact CD1-CG1 4.26Å; F96-V191 HydrophobicContact CE1-CG1 3.89Å; Y185-V191 HydrophobicContact CD2-CG2 4.03Å; Y185-V191 HydrophobicContact CG-CG2 3.95Å; T187-V191 PolarHBondContact O-N 3.07Å; L188-V191 WeakPolarHBondContact O-CB 3.48Å; L188-V191 PolarHBondContact O-N 2.81Å; H189-V191 PolarHBondContact O-N 3.04Å; V191-L195 HydrophobicContact CG1-CD1 4.1Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 2.78Å; V191-L195 VanDerWaalsContact O-N 3.16Å; V191-F217 HydrophobicContact CG1-CE1 4.14Å; V191-F217 HydrophobicContact CG1-CZ 4.15Å; V191-I259 HydrophobicContact CB-CD1 4.46Å; V191-I259 HydrophobicContact CG1-CD1 3.82Å; V191-I259 HydrophobicContact CG1-CG2 4.03Å; V191-I259 HydrophobicContact CG2-CD1 4.49Å; V191-F284 HydrophobicContact CG2-CE1 4.47Å; V191-F284 HydrophobicContact CG2-CE2 3.68Å; V191-F284 HydrophobicContact CG2-CZ 3.48Å; V191-F284 VanDerWaalsContact CG2-CZ 3.48Å
192V89.5Confident85.9Confident5 Ų549.2 Ų49.23%0.0326%0.256CS..Hα-helixtrans-66.7-45.4178.51720000110.9L188 H189 A194 L195 V196 F217 L221 L229L188-V192 WeakPolarHBondContact O-CG2 2.77Å; L188-V192 PolarHBondContact O-N 3.43Å; L188-V192 VanDerWaalsContact O-N 3.16Å; H189-V192 WeakPolarHBondContact O-CB 3.43Å; H189-V192 PolarHBondContact O-N 2.84Å; V192-A194 PolarHBondContact O-N 3.23Å; V192-L195 WeakPolarHBondContact O-CB 3.48Å; V192-L195 PolarHBondContact O-N 3.29Å; V192-L195 VanDerWaalsContact O-N 3.12Å; V192-V196 HydrophobicContact CG1-CG2 4.18Å; V192-V196 VanDerWaalsContact O-CG2 3.32Å; V192-V196 WeakPolarHBondContact O-CG2 3.16Å; V192-V196 PolarHBondContact O-N 3.04Å; V192-F217 HydrophobicContact CG2-CD1 3.72Å; V192-F217 HydrophobicContact CG2-CE1 3.73Å; V192-L221 HydrophobicContact CG1-CD1 4.19Å; V192-L221 HydrophobicContact CG2-CD1 3.67Å; V192-L221 HydrophobicContact CG2-CD2 3.81Å; V192-L221 HydrophobicContact CG2-CG 4.34Å; V192-L229 HydrophobicContact CG1-CB 4.39Å; V192-L229 HydrophobicContact CG1-CD1 4.36Å
193E90.6Very high86.9Confident92 Ų9246.9 Ų46.943%0.4324%0.24SC..Hα-helixtrans-58.1-48.7176.5-170.7172.3-157.400110.6H189 L195 V196 E197H189-E193 PolarHBondContact O-N 3.45Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-L195 VanDerWaalsContact O-N 3.17Å; E193-V196 PolarHBondContact O-N 2.51Å; E193-V196 VanDerWaalsContact O-N 3.07Å; E193-E197 HydrophobicContact CG-CG 4.18Å; E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 WeakPolarHBondContact O-CG 3.45Å; E193-E197 PolarHBondContact O-N 3.17Å
194A90.1Very high87.3Confident2 Ų245.7 Ų45.72%0.01723%0.23CC..Hα-helixtrans-58.9-31.6176.700000113.6Y185 D190 V192 G198 E199 C200Y185-A194 HydrophobicContact CE1-CB 3.67Å; Y185-A194 WeakPolarHBondContact OH-CB 3.49Å; D190-A194 WeakPolarHBondContact O-CB 3.16Å; D190-A194 PolarHBondContact O-N 3.18Å; V192-A194 PolarHBondContact O-N 3.23Å; A194-G198 PolarHBondContact O-N 3.48Å; A194-E199 HydrophobicContact CB-CB 4.38Å; A194-E199 PolarHBondContact O-N 3.28Å; A194-C200 HydrophobicContact CB-CB 4.45Å; A194-C200 PolarHBondContact O-N 3.35Å
195L91.4Very high87.3Confident11 Ų1143.7 Ų43.76%0.05822%0.217CC..Hα-helixtrans-78-39.1175.3-70168.9000112.3V191 V192 E193 G198 C200 M202 F217 L229 M233 I259V191-L195 HydrophobicContact CG1-CD1 4.1Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 2.78Å; V191-L195 VanDerWaalsContact O-N 3.16Å; V192-L195 WeakPolarHBondContact O-CB 3.48Å; V192-L195 PolarHBondContact O-N 3.29Å; V192-L195 VanDerWaalsContact O-N 3.12Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-L195 VanDerWaalsContact O-N 3.17Å; L195-G198 PolarHBondContact O-N 2.76Å; L195-C200 HydrophobicContact CD2-CB 4.4Å; L195-M202 HydrophobicContact CD2-CB 3.95Å; L195-F217 HydrophobicContact CD1-CZ 4.01Å; L195-L229 HydrophobicContact CB-CD1 4Å; L195-L229 HydrophobicContact CD1-CD1 4.18Å; L195-M233 HydrophobicContact CB-CE 4.03Å; L195-M233 HydrophobicContact CD1-CE 3.76Å; L195-M233 HydrophobicContact CD2-CE 4.1Å; L195-M233 HydrophobicContact CG-CE 4.18Å; L195-I259 HydrophobicContact CD2-CD1 4.38Å; L195-I259 HydrophobicContact CG-CD1 4.3Å
196V90.9Very high86.3Confident48 Ų4847 Ų4729%0.29124%0.237SC..Hα-helixtrans-70.2-44.4179.8170.50000111.5V192 E193 G198 Q228 L229 A232V192-V196 HydrophobicContact CG1-CG2 4.18Å; V192-V196 VanDerWaalsContact O-CG2 3.32Å; V192-V196 WeakPolarHBondContact O-CG2 3.16Å; V192-V196 PolarHBondContact O-N 3.04Å; E193-V196 PolarHBondContact O-N 2.51Å; E193-V196 VanDerWaalsContact O-N 3.07Å; V196-G198 PolarHBondContact O-N 2.95Å; V196-Q228 HydrophobicContact CG1-CB 4.45Å; V196-Q228 HydrophobicContact CG2-CB 4.27Å; V196-L229 HydrophobicContact CG2-CB 4.49Å; V196-L229 HydrophobicContact CG2-CD1 4.44Å; V196-A232 HydrophobicContact CB-CB 4.44Å; V196-A232 HydrophobicContact CG2-CB 4.22Å
197E90.7Very high85.4Confident124 Ų12441.5 Ų41.558%0.57921%0.211SC*.THydrogen-bonded Turntrans-71.7-17.5177-64.5-165.8148.100112.6E193 E199E193-E197 HydrophobicContact CG-CG 4.18Å; E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 WeakPolarHBondContact O-CG 3.45Å; E193-E197 PolarHBondContact O-N 3.17Å; E197-E199 HydrophobicContact CB-CG 4.21Å
198G86.4Confident84.3Confident32 Ų3240.9 Ų40.933%0.3320%0.204SC..THydrogen-bonded Turntrans81.614.7178.100000114.1A194 L195 V196 C200 R236A194-G198 PolarHBondContact O-N 3.48Å; L195-G198 PolarHBondContact O-N 2.76Å; V196-G198 PolarHBondContact O-N 2.95Å; G198-C200 VanDerWaalsContact C-N 3.26Å; G198-C200 PolarHBondContact O-N 2.89Å; G198-R236 PolarHBondContact O-NH1 3.21Å
199E89.1Confident83.1Confident121 Ų12141.9 Ų41.957%0.56522%0.215SC*.SBendtrans-59.2-40.9170.9-59.4-160.514000111.1A194 E197A194-E199 HydrophobicContact CB-CB 4.38Å; A194-E199 PolarHBondContact O-N 3.28Å; E197-E199 HydrophobicContact CB-CG 4.21Å
200C90.6Very high82.1Confident2 Ų241.8 Ų41.81%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-118.6161.3177-58.60000112.1Y185 A194 L195 G198 C257 I259Y185-C200 PolarHBondContact OH-SG 2.63Å; A194-C200 HydrophobicContact CB-CB 4.45Å; A194-C200 PolarHBondContact O-N 3.35Å; L195-C200 HydrophobicContact CD2-CB 4.4Å; G198-C200 VanDerWaalsContact C-N 3.26Å; G198-C200 PolarHBondContact O-N 2.89Å; C200-C257 CarbonylContact C-O 3.17Å; C200-C257 VanDerWaalsContact CA-O 3.3Å; C200-C257 WeakPolarHBondContact CA-O 3.41Å; C200-C257 HydrophobicContact CB-CB 3.78Å; C200-C257 WeakPolarHBondContact CB-SG 3.38Å; C200-C257 WeakPolarHBondContact SG-CB 3.29Å; C200-C257 CovalentContact SG-SG 2.03Å; C200-C257 PolarHBondContact SG-SG 2.92Å; C200-I259 HydrophobicContact CB-CD1 3.81Å; C200-I259 HydrophobicContact CB-CG1 3.85Å
201R89.9Confident81.1Confident64 Ų6442.4 Ų42.424%0.24222%0.223CC..EExtended strand (participates in β ladder)trans-116.7137.5170.3-167.5177.7-176.7-174-3.5110.1P237 C257 Y258 I259R201-P237 PolarHBondContact NE-O 3.38Å; R201-P237 VanDerWaalsContact NE-O 3.14Å; R201-P237 PolarHBondContact NH2-O 3.42Å; R201-C257 PolarHBondContact N-O 2.86Å; R201-Y258 HydrophobicContact CB-CD1 3.92Å; R201-Y258 HydrophobicContact CB-CE1 3.99Å; R201-Y258 HydrophobicContact CG-CE1 4.4Å; R201-Y258 WeakPolarHBondContact O-CA 2.99Å; R201-I259 PolarHBondContact O-N 3.17Å
202M89.6Confident80.2Confident4 Ų442.8 Ų42.82%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-73.9136172.8-168.8-171.1134.500110.6L195 Y204 Y213 M233 P238 L239 I259 F261L195-M202 HydrophobicContact CD2-CB 3.95Å; M202-Y204 HydrophobicContact CE-CD1 4.43Å; M202-Y204 HydrophobicContact CE-CG 4.33Å; M202-Y213 HydrophobicContact SD-CG 4.27Å; M202-M233 HydrophobicContact CB-CE 3.92Å; M202-M233 HydrophobicContact CB-SD 4.21Å; M202-M233 HydrophobicContact SD-CE 4.02Å; M202-M233 HydrophobicContact SD-SD 4.35Å; M202-P238 HydrophobicContact CB-CB 4.18Å; M202-P238 HydrophobicContact CB-CG 4.32Å; M202-P238 HydrophobicContact CE-CB 4.07Å; M202-P238 HydrophobicContact CE-CG 4.22Å; M202-P238 HydrophobicContact CG-CB 4.36Å; M202-P238 CarbonylContact O-C 3.56Å; M202-P238 VanDerWaalsContact O-CA 3.3Å; M202-P238 WeakPolarHBondContact O-CA 3.15Å; M202-P238 HydrophobicContact SD-CB 4.24Å; M202-P238 HydrophobicContact SD-CG 3.98Å; M202-L239 PolarHBondContact O-N 3.35Å; M202-I259 CarbonylContact C-O 3.48Å; M202-I259 VanDerWaalsContact CA-O 3.32Å; M202-I259 WeakPolarHBondContact CA-O 3.35Å; M202-F261 HydrophobicContact CE-CD1 4.27Å; M202-F261 HydrophobicContact CE-CE1 3.11Å; M202-F261 HydrophobicContact CE-CZ 3.34Å; M202-F261 HydrophobicContact CG-CE1 4.1Å; M202-F261 HydrophobicContact SD-CE1 3.6Å; M202-F261 VanDerWaalsContact SD-CE1 3.6Å; M202-F261 HydrophobicContact SD-CZ 4.25Å
203A88.1Confident79.5Confident0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-121.1135.4169.400000109.7L239 V241 M250 Y258 I259 S260A203-L239 WeakPolarHBondContact CA-O 3.17Å; A203-V241 HydrophobicContact CB-CG2 4.46Å; A203-M250 HydrophobicContact CB-CE 3.52Å; A203-Y258 HydrophobicContact CB-CD1 4.34Å; A203-I259 PolarHBondContact N-O 2.83Å; A203-S260 WeakPolarHBondContact O-CA 3.19Å; A203-S260 VanDerWaalsContact O-CB 3.28Å; A203-S260 WeakPolarHBondContact O-CB 3.32Å; A203-S260 PolarHBondContact O-OG 3.36Å
204Y82.6Confident78.8Confident26 Ų2642.4 Ų42.410%0.10222%0.223CC..EExtended strand (participates in β ladder)trans-132.7153.9179.873.2-72.3000111M202 G209 L210 P238 L239 L240 V241M202-Y204 HydrophobicContact CE-CD1 4.43Å; M202-Y204 HydrophobicContact CE-CG 4.33Å; Y204-G209 VanDerWaalsContact CE2-C 3.5Å; Y204-L210 HydrophobicContact CE1-CD1 4.04Å; Y204-L210 HydrophobicContact CE2-CB 4.48Å; Y204-P238 HydrophobicContact CD1-CB 3.51Å; Y204-P238 HydrophobicContact CE1-CB 3.71Å; Y204-L239 WeakPolarHBondContact CD1-O 3.14Å; Y204-L239 PolarHBondContact N-O 2.64Å; Y204-L240 HydrophobicContact CD2-CD1 4.23Å; Y204-L240 HydrophobicContact CE1-CB 4.04Å; Y204-L240 HydrophobicContact CE1-CD1 4.34Å; Y204-L240 HydrophobicContact CE2-CD1 3.6Å; Y204-V241 PolarHBondContact O-N 2.98Å
205N74.3Confident77.8Confident2 Ų243.5 Ų43.51%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-83.6143.9173-170.2-77.7000110.4E207 Y208 V241 E242 T243 R244 I247N205-E207 PolarHBondContact O-N 3.47Å; N205-E207 VanDerWaalsContact OD1-CB 3.26Å; N205-E207 WeakPolarHBondContact OD1-CB 3.36Å; N205-E207 WeakPolarHBondContact OD1-CG 3.42Å; N205-E207 PolarHBondContact OD1-N 2.94Å; N205-Y208 HydrophobicContact CB-CD2 4.26Å; N205-Y208 HydrophobicContact CB-CE2 4.44Å; N205-Y208 PolarHBondContact O-N 3.1Å; N205-V241 WeakPolarHBondContact CA-O 3.39Å; N205-V241 PolarHBondContact ND2-O 3.36Å; N205-E242 PolarHBondContact ND2-O 3.19Å; N205-E242 VanDerWaalsContact ND2-O 3.14Å; N205-T243 WeakPolarHBondContact ND2-CA 3.27Å; N205-R244 PolarHBondContact ND2-N 3.32Å; N205-I247 HydrophobicContact CB-CD1 3.82Å
206D65.6Low77.1Confident99 Ų9943 Ų4353%0.52923%0.226SC..G310 helixtrans-55.4-32.6179.3-159.916.2000113.3Y208 G209 L240D206-Y208 PolarHBondContact O-N 2.93Å; D206-G209 PolarHBondContact O-N 3.01Å; D206-G209 VanDerWaalsContact O-N 3.08Å; D206-L240 VanDerWaalsContact CA-CD1 3.42Å; D206-L240 HydrophobicContact CB-CD1 3.64Å
207E59.8Low76.6Confident53 Ų5340.7 Ų40.725%0.24821%0.212CC..G310 helixtrans-55.6-22.6-179.7-71171.4-153.100114N205 R244N205-E207 PolarHBondContact O-N 3.47Å; N205-E207 VanDerWaalsContact OD1-CB 3.26Å; N205-E207 WeakPolarHBondContact OD1-CB 3.36Å; N205-E207 WeakPolarHBondContact OD1-CG 3.42Å; N205-E207 PolarHBondContact OD1-N 2.94Å; E207-R244 IonicContact OE1-NH1 3.6Å; E207-R244 PolarHBondContact OE1-NH1 3.35Å; E207-R244 IonicContact OE2-CZ 3.75Å; E207-R244 IonicContact OE2-NH1 3.86Å; E207-R244 PolarHBondContact OE2-NH1 2.79Å; E207-R244 IonicContact OE2-NH2 3.59Å; E207-R244 PolarHBondContact OE2-NH2 3.19Å
208Y62.6Low75.9Confident31 Ų3136 Ų3612%0.12220%0.197CC..G310 helixtrans-101.5-18.1-177.7-57.1-45000114.3N205 D206 F212 R244 D262 Y263N205-Y208 HydrophobicContact CB-CD2 4.26Å; N205-Y208 HydrophobicContact CB-CE2 4.44Å; N205-Y208 PolarHBondContact O-N 3.1Å; D206-Y208 PolarHBondContact O-N 2.93Å; Y208-F212 VanDerWaalsContact CB-CG 3.46Å; Y208-F212 HydrophobicContact CD1-CD1 4.06Å; Y208-F212 AromaticContact CD1-CE1 3.9Å; Y208-F212 HydrophobicContact CD1-CE1 3.9Å; Y208-F212 HydrophobicContact CD1-CZ 4.23Å; Y208-F212 AromaticContact CD2-CD1 3.52Å; Y208-F212 HydrophobicContact CD2-CD1 3.52Å; Y208-F212 AromaticContact CD2-CE1 3.45Å; Y208-F212 HydrophobicContact CD2-CE1 3.45Å; Y208-F212 VanDerWaalsContact CD2-CE1 3.45Å; Y208-F212 HydrophobicContact CD2-CZ 4.47Å; Y208-F212 HydrophobicContact CE1-CE1 4.32Å; Y208-F212 HydrophobicContact CE2-CD1 4.37Å; Y208-F212 AromaticContact CE2-CE1 3.85Å; Y208-F212 HydrophobicContact CE2-CE1 3.85Å; Y208-F212 AromaticContact CG-CD1 3.3Å; Y208-F212 HydrophobicContact CG-CD1 3.3Å; Y208-F212 AromaticContact CG-CE1 3.45Å; Y208-F212 HydrophobicContact CG-CE1 3.45Å; Y208-F212 VanDerWaalsContact CG-CE1 3.45Å; Y208-F212 HydrophobicContact CG-CG 4Å; Y208-F212 HydrophobicContact CG-CZ 4.21Å; Y208-F212 WeakPolarHBondContact O-CB 3.29Å; Y208-R244 PolarHBondContact OH-NH2 2.89Å; Y208-D262 PolarHBondContact OH-OD1 3.04Å; Y208-Y263 HydrophobicContact CD1-CE2 4.03Å; Y208-Y263 AromaticContact CE1-CD2 3.77Å; Y208-Y263 HydrophobicContact CE1-CD2 3.77Å; Y208-Y263 AromaticContact CE1-CE2 3.21Å; Y208-Y263 HydrophobicContact CE1-CE2 3.21Å; Y208-Y263 AromaticContact CE1-CZ 3.91Å; Y208-Y263 AromaticContact CZ-CD2 3.81Å; Y208-Y263 AromaticContact CZ-CE2 3.73Å; Y208-Y263 WeakPolarHBondContact OH-CD2 3.43Å
209G60.3Low75.3Confident25 Ų2537.6 Ų37.626%0.25820%0.201SC..  trans67.6164.6-172.800000114.1Y204 D206 T211 F212Y204-G209 VanDerWaalsContact CE2-C 3.5Å; D206-G209 PolarHBondContact O-N 3.01Å; D206-G209 VanDerWaalsContact O-N 3.08Å; G209-T211 PolarHBondContact O-N 3.32Å; G209-F212 WeakPolarHBondContact O-CB 3.23Å; G209-F212 PolarHBondContact O-N 3.36Å
210L64.2Low74.7Confident88 Ų8834.3 Ų34.346%0.46119%0.185SC..THydrogen-bonded Turntrans-64.2-25.1-174-178.763000113.3Y204 F212 Y213 P238Y204-L210 HydrophobicContact CE1-CD1 4.04Å; Y204-L210 HydrophobicContact CE2-CB 4.48Å; L210-F212 VanDerWaalsContact C-N 3.3Å; L210-F212 PolarHBondContact O-N 2.94Å; L210-Y213 WeakPolarHBondContact O-CD1 3.5Å; L210-Y213 WeakPolarHBondContact O-CE1 3.3Å; L210-P238 HydrophobicContact CD1-CB 4.19Å; L210-P238 HydrophobicContact CD1-CG 3.86Å
211T67.7Low74.2Confident62 Ų6235.4 Ų35.438%0.3819%0.191SC..THydrogen-bonded Turntrans-79.3-12.1-177490000113.4G209 Y213 M214G209-T211 PolarHBondContact O-N 3.32Å; T211-Y213 PolarHBondContact O-N 3.23Å; T211-Y213 VanDerWaalsContact O-N 3.17Å; T211-M214 WeakPolarHBondContact O-CB 3.46Å; T211-M214 WeakPolarHBondContact O-CG 3.4Å; T211-M214 PolarHBondContact O-N 3.07Å
212F70.3Confident73.9Confident8 Ų835 Ų354%0.03520%0.198CC..Hα-helixtrans-60.9-30.1-173.4-174.6-136.1000113.9H94 Y208 G209 L210 M214 D215 V216 F261 Y263H94-F212 AromaticContact CD2-CZ 3.88Å; H94-F212 AromaticContact NE2-CE2 3.95Å; H94-F212 AromaticContact NE2-CZ 4Å; Y208-F212 VanDerWaalsContact CB-CG 3.46Å; Y208-F212 HydrophobicContact CD1-CD1 4.06Å; Y208-F212 AromaticContact CD1-CE1 3.9Å; Y208-F212 HydrophobicContact CD1-CE1 3.9Å; Y208-F212 HydrophobicContact CD1-CZ 4.23Å; Y208-F212 AromaticContact CD2-CD1 3.52Å; Y208-F212 HydrophobicContact CD2-CD1 3.52Å; Y208-F212 AromaticContact CD2-CE1 3.45Å; Y208-F212 HydrophobicContact CD2-CE1 3.45Å; Y208-F212 VanDerWaalsContact CD2-CE1 3.45Å; Y208-F212 HydrophobicContact CD2-CZ 4.47Å; Y208-F212 HydrophobicContact CE1-CE1 4.32Å; Y208-F212 HydrophobicContact CE2-CD1 4.37Å; Y208-F212 AromaticContact CE2-CE1 3.85Å; Y208-F212 HydrophobicContact CE2-CE1 3.85Å; Y208-F212 AromaticContact CG-CD1 3.3Å; Y208-F212 HydrophobicContact CG-CD1 3.3Å; Y208-F212 AromaticContact CG-CE1 3.45Å; Y208-F212 HydrophobicContact CG-CE1 3.45Å; Y208-F212 VanDerWaalsContact CG-CE1 3.45Å; Y208-F212 HydrophobicContact CG-CG 4Å; Y208-F212 HydrophobicContact CG-CZ 4.21Å; Y208-F212 WeakPolarHBondContact O-CB 3.29Å; G209-F212 WeakPolarHBondContact O-CB 3.23Å; G209-F212 PolarHBondContact O-N 3.36Å; L210-F212 VanDerWaalsContact C-N 3.3Å; L210-F212 PolarHBondContact O-N 2.94Å; F212-M214 PolarHBondContact O-N 2.95Å; F212-D215 HydrophobicContact CD2-CB 4.43Å; F212-D215 WeakPolarHBondContact O-CB 3.47Å; F212-D215 PolarHBondContact O-N 2.76Å; F212-V216 HydrophobicContact CE1-CG2 4.26Å; F212-V216 HydrophobicContact CE2-CG2 4.21Å; F212-V216 HydrophobicContact CZ-CG2 4.06Å; F212-V216 WeakPolarHBondContact O-CG2 3.39Å; F212-V216 PolarHBondContact O-N 3Å; F212-V216 VanDerWaalsContact O-N 3.11Å; F212-F261 AromaticContact CD1-CD2 3.84Å; F212-F261 HydrophobicContact CD1-CD2 3.84Å; F212-F261 AromaticContact CD1-CE2 3.12Å; F212-F261 HydrophobicContact CD1-CE2 3.12Å; F212-F261 HydrophobicContact CD1-CZ 4.04Å; F212-F261 AromaticContact CE1-CD2 3.52Å; F212-F261 HydrophobicContact CE1-CD2 3.52Å; F212-F261 AromaticContact CE1-CE2 3.3Å; F212-F261 HydrophobicContact CE1-CE2 3.3Å; F212-F261 AromaticContact CG-CE2 3.91Å; F212-F261 HydrophobicContact CG-CE2 3.91Å; F212-F261 HydrophobicContact CZ-CD2 4.36Å; F212-F261 HydrophobicContact CZ-CE2 4.23Å; F212-Y263 AromaticContact CE2-CE1 3.75Å; F212-Y263 HydrophobicContact CE2-CE1 3.75Å; F212-Y263 AromaticContact CE2-CZ 3.69Å; F212-Y263 WeakPolarHBondContact CE2-OH 3.4Å; F212-Y263 HydrophobicContact CZ-CD1 4.24Å; F212-Y263 AromaticContact CZ-CE1 3.36Å; F212-Y263 HydrophobicContact CZ-CE1 3.36Å; F212-Y263 HydrophobicContact CZ-CE2 4.33Å; F212-Y263 AromaticContact CZ-CZ 3.44Å; F212-Y263 VanDerWaalsContact CZ-CZ 3.44Å; F212-Y263 WeakPolarHBondContact CZ-OH 3.41Å
213Y75.2Confident73.5Confident13 Ų1342.3 Ų42.35%0.05123%0.232CC..Hα-helixtrans-63.4-26.917479-90.4000112.6M202 L210 T211 D215 V216 F217 L229 N230 M233M202-Y213 HydrophobicContact SD-CG 4.27Å; L210-Y213 WeakPolarHBondContact O-CD1 3.5Å; L210-Y213 WeakPolarHBondContact O-CE1 3.3Å; T211-Y213 PolarHBondContact O-N 3.23Å; T211-Y213 VanDerWaalsContact O-N 3.17Å; Y213-D215 VanDerWaalsContact C-N 3.27Å; Y213-D215 PolarHBondContact O-N 3.12Å; Y213-V216 PolarHBondContact O-N 2.93Å; Y213-F217 HydrophobicContact CD2-CD2 4.4Å; Y213-F217 WeakPolarHBondContact O-CB 3.31Å; Y213-F217 VanDerWaalsContact O-CD2 3.29Å; Y213-F217 WeakPolarHBondContact O-CD2 3.43Å; Y213-F217 PolarHBondContact O-N 3.31Å; Y213-L229 HydrophobicContact CD2-CD2 4.46Å; Y213-N230 WeakPolarHBondContact CE2-OD1 3.46Å; Y213-N230 PolarHBondContact OH-OD1 3Å; Y213-M233 HydrophobicContact CE2-CG 4.08Å
214M75Confident73.5Confident76 Ų7647.6 Ų47.637%0.37426%0.26SS..Hα-helixtrans-65.7-36175.7-58-175.8176.300110.7T211 F212 G218 F226T211-M214 WeakPolarHBondContact O-CB 3.46Å; T211-M214 WeakPolarHBondContact O-CG 3.4Å; T211-M214 PolarHBondContact O-N 3.07Å; F212-M214 PolarHBondContact O-N 2.95Å; M214-G218 WeakPolarHBondContact O-CA 3.46Å; M214-G218 PolarHBondContact O-N 3.5Å; M214-F226 HydrophobicContact CB-CE2 4.44Å; M214-F226 HydrophobicContact CB-CZ 3.93Å; M214-F226 HydrophobicContact CG-CZ 3.96Å
215D69.5Low73.6Confident24 Ų2448.2 Ų48.213%0.12827%0.265CS..Hα-helixtrans-73.7-33.2176.3-66.7-48000112.4S76 F212 Y213 P219S76-D215 PolarHBondContact OG-OD1 3.26Å; S76-D215 VanDerWaalsContact OG-OD1 3.14Å; F212-D215 HydrophobicContact CD2-CB 4.43Å; F212-D215 WeakPolarHBondContact O-CB 3.47Å; F212-D215 PolarHBondContact O-N 2.76Å; Y213-D215 VanDerWaalsContact C-N 3.27Å; Y213-D215 PolarHBondContact O-N 3.12Å; D215-P219 VanDerWaalsContact O-CD 3.27Å; D215-P219 WeakPolarHBondContact O-CD 3.46Å
216V75.9Confident74.2Confident0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-76.2-43178.4178.40000112.8H94 F96 F212 Y213 F220 F261H94-V216 HydrophobicContact CB-CG1 3.98Å; H94-V216 HydrophobicContact CB-CG2 4.32Å; H94-V216 VanDerWaalsContact CD2-CG2 3.46Å; H94-V216 WeakPolarHBondContact CD2-CG2 3.49Å; F96-V216 HydrophobicContact CE2-CG1 4.16Å; F96-V216 HydrophobicContact CZ-CG1 3.85Å; F212-V216 HydrophobicContact CE1-CG2 4.26Å; F212-V216 HydrophobicContact CE2-CG2 4.21Å; F212-V216 HydrophobicContact CZ-CG2 4.06Å; F212-V216 WeakPolarHBondContact O-CG2 3.39Å; F212-V216 PolarHBondContact O-N 3Å; F212-V216 VanDerWaalsContact O-N 3.11Å; Y213-V216 PolarHBondContact O-N 2.93Å; V216-F220 WeakPolarHBondContact O-CD2 3.47Å; V216-F220 WeakPolarHBondContact O-CE2 3.2Å; V216-F261 HydrophobicContact CB-CD2 4.33Å; V216-F261 HydrophobicContact CB-CE2 4.09Å; V216-F261 HydrophobicContact CB-CZ 4.46Å; V216-F261 HydrophobicContact CG1-CD2 4.35Å; V216-F261 HydrophobicContact CG1-CG 4.45Å; V216-F261 HydrophobicContact CG2-CD2 3.55Å; V216-F261 HydrophobicContact CG2-CE2 3.33Å; V216-F261 HydrophobicContact CG2-CG 4.42Å; V216-F261 HydrophobicContact CG2-CZ 4.13Å
217F80.5Confident75.2Confident1 Ų151.1 Ų51.10%0.00428%0.275CS..Hα-helixtrans-98.1-39.1-175-69.9-76.3000113F96 L188 V191 V192 L195 Y213 F220 L221 L229 F261F96-F217 HydrophobicContact CE1-CE1 4.05Å; F96-F217 HydrophobicContact CE1-CE2 4.5Å; F96-F217 AromaticContact CE1-CZ 3.64Å; F96-F217 HydrophobicContact CE1-CZ 3.64Å; F96-F217 AromaticContact CZ-CE1 3.83Å; F96-F217 HydrophobicContact CZ-CE1 3.83Å; F96-F217 AromaticContact CZ-CZ 3.76Å; F96-F217 HydrophobicContact CZ-CZ 3.76Å; L188-F217 HydrophobicContact CD1-CD1 4.02Å; L188-F217 HydrophobicContact CD1-CE1 3.73Å; L188-F217 HydrophobicContact CG-CD1 4.48Å; V191-F217 HydrophobicContact CG1-CE1 4.14Å; V191-F217 HydrophobicContact CG1-CZ 4.15Å; V192-F217 HydrophobicContact CG2-CD1 3.72Å; V192-F217 HydrophobicContact CG2-CE1 3.73Å; L195-F217 HydrophobicContact CD1-CZ 4.01Å; Y213-F217 HydrophobicContact CD2-CD2 4.4Å; Y213-F217 WeakPolarHBondContact O-CB 3.31Å; Y213-F217 VanDerWaalsContact O-CD2 3.29Å; Y213-F217 WeakPolarHBondContact O-CD2 3.43Å; Y213-F217 PolarHBondContact O-N 3.31Å; F217-F220 PolarHBondContact O-N 2.74Å; F217-L221 HydrophobicContact CB-CD1 3.79Å; F217-L221 HydrophobicContact CB-CG 4.32Å; F217-L221 HydrophobicContact CD1-CD1 4.18Å; F217-L221 HydrophobicContact CG-CD1 4.37Å; F217-L221 WeakPolarHBondContact O-CG 3.12Å; F217-L221 PolarHBondContact O-N 3.4Å; F217-L221 VanDerWaalsContact O-N 3.15Å; F217-L229 HydrophobicContact CB-CD2 3.74Å; F217-L229 HydrophobicContact CD1-CD2 4.11Å; F217-L229 HydrophobicContact CD2-CD2 3.81Å; F217-L229 HydrophobicContact CE2-CD2 4.41Å; F217-L229 HydrophobicContact CG-CD2 3.63Å; F217-F261 HydrophobicContact CE2-CE1 4.23Å
218G76.1Confident76.6Confident25 Ų2553.5 Ų53.526%0.25829%0.286SS..THydrogen-bonded Turntrans-53.4-45.5-170.100000114.7M214 F220 F226M214-G218 WeakPolarHBondContact O-CA 3.46Å; M214-G218 PolarHBondContact O-N 3.5Å; G218-F220 PolarHBondContact O-N 3.34Å; G218-F226 VanDerWaalsContact CA-CE2 3.48Å
219P73.8Confident77.9Confident65 Ų6552 Ų5242%0.42228%0.28SS..THydrogen-bonded Turntrans-68.8-15179.9-24.537.1000115.3D215D215-P219 VanDerWaalsContact O-CD 3.27Å; D215-P219 WeakPolarHBondContact O-CD 3.46Å
220F76.9Confident79.1Confident52 Ų5252 Ų5223%0.22827%0.274CS..THydrogen-bonded Turntrans-115.8-10.6-169.2-54.9-76.7000113.8L188 V216 F217 G218 E286 L287 R288L188-F220 HydrophobicContact CD2-CB 3.76Å; L188-F220 HydrophobicContact CD2-CG 4.45Å; V216-F220 WeakPolarHBondContact O-CD2 3.47Å; V216-F220 WeakPolarHBondContact O-CE2 3.2Å; F217-F220 PolarHBondContact O-N 2.74Å; G218-F220 PolarHBondContact O-N 3.34Å; F220-E286 WeakPolarHBondContact CD1-O 3.35Å; F220-E286 VanDerWaalsContact CE1-O 3.29Å; F220-E286 WeakPolarHBondContact CE1-O 3.48Å; F220-L287 HydrophobicContact CD2-CD2 3.98Å; F220-L287 HydrophobicContact CE2-CD2 3.99Å; F220-L287 HydrophobicContact CG-CD2 4.44Å; F220-L287 HydrophobicContact CZ-CD2 4.49Å; F220-R288 HydrophobicContact CE1-CB 3.97Å; F220-R288 HydrophobicContact CE1-CG 4.2Å; F220-R288 VanDerWaalsContact CE1-N 3.3Å; F220-R288 HydrophobicContact CZ-CB 4.37Å
221L80.2Confident80.2Confident26 Ų2655.8 Ų55.814%0.13628%0.284CS..SBendtrans-99.7155.7178.3-63.2-176.6000111.6V192 F217 D225 F226 L229V192-L221 HydrophobicContact CG1-CD1 4.19Å; V192-L221 HydrophobicContact CG2-CD1 3.67Å; V192-L221 HydrophobicContact CG2-CD2 3.81Å; V192-L221 HydrophobicContact CG2-CG 4.34Å; F217-L221 HydrophobicContact CB-CD1 3.79Å; F217-L221 HydrophobicContact CB-CG 4.32Å; F217-L221 HydrophobicContact CD1-CD1 4.18Å; F217-L221 HydrophobicContact CG-CD1 4.37Å; F217-L221 WeakPolarHBondContact O-CG 3.12Å; F217-L221 PolarHBondContact O-N 3.4Å; F217-L221 VanDerWaalsContact O-N 3.15Å; L221-D225 HydrophobicContact CB-CB 4.13Å; L221-D225 HydrophobicContact CD1-CB 4.48Å; L221-F226 HydrophobicContact CB-CB 4.25Å; L221-F226 HydrophobicContact CD1-CD2 4.44Å; L221-L229 HydrophobicContact CD1-CD2 3.89Å
222S83.1Confident81.2Confident56 Ų5653.5 Ų53.539%0.39227%0.271SS..  trans-65.9157.9165.474.10000110D224 D225 F226S222-D224 VanDerWaalsContact C-N 3.25Å; S222-D224 PolarHBondContact O-N 3.21Å; S222-D225 PolarHBondContact O-N 2.72Å; S222-D225 WeakPolarHBondContact OG-CB 3.26Å; S222-D225 PolarHBondContact OG-N 3.19Å; S222-D225 PolarHBondContact OG-OD2 3.08Å; S222-F226 WeakPolarHBondContact O-CB 3.42Å; S222-F226 PolarHBondContact O-N 3.22Å
223E82.5Confident82Confident157 Ų15753.6 Ų53.673%0.73427%0.272SS*.Hα-helixtrans-56-43.5178.2-170171.8-171.300111.1F226 E227E223-F226 PolarHBondContact O-N 3.46Å; E223-E227 WeakPolarHBondContact O-CG 3.34Å; E223-E227 PolarHBondContact O-N 2.76Å
224D86.7Confident82.5Confident110 Ų11061 Ų6159%0.58830%0.304SS*.Hα-helixtrans-62.3-45.7177.7-67.1-24.3000112.4S222 F226 E227 Q228S222-D224 VanDerWaalsContact C-N 3.25Å; S222-D224 PolarHBondContact O-N 3.21Å; D224-F226 VanDerWaalsContact C-N 3.35Å; D224-E227 PolarHBondContact O-N 3.21Å; D224-Q228 WeakPolarHBondContact O-CG 3.48Å; D224-Q228 PolarHBondContact O-N 3.01Å
225D86.2Confident83Confident39 Ų3965.4 Ų65.421%0.20932%0.321CS..Hα-helixtrans-66.2-39.3179.2-65-37.8000111.3L221 S222 Q228 L229L221-D225 HydrophobicContact CB-CB 4.13Å; L221-D225 HydrophobicContact CD1-CB 4.48Å; S222-D225 PolarHBondContact O-N 2.72Å; S222-D225 WeakPolarHBondContact OG-CB 3.26Å; S222-D225 PolarHBondContact OG-N 3.19Å; S222-D225 PolarHBondContact OG-OD2 3.08Å; D225-Q228 PolarHBondContact O-N 2.85Å; D225-L229 WeakPolarHBondContact O-CB 3.28Å; D225-L229 PolarHBondContact O-N 2.86Å
226F86.3Confident83.8Confident44 Ų4469.2 Ų69.219%0.19333%0.334CS..Hα-helixtrans-68-37.7177.8-171.5-112.4000111.8M214 G218 L221 S222 E223 D224 L229 N230M214-F226 HydrophobicContact CB-CE2 4.44Å; M214-F226 HydrophobicContact CB-CZ 3.93Å; M214-F226 HydrophobicContact CG-CZ 3.96Å; G218-F226 VanDerWaalsContact CA-CE2 3.48Å; L221-F226 HydrophobicContact CB-CB 4.25Å; L221-F226 HydrophobicContact CD1-CD2 4.44Å; S222-F226 WeakPolarHBondContact O-CB 3.42Å; S222-F226 PolarHBondContact O-N 3.22Å; E223-F226 PolarHBondContact O-N 3.46Å; D224-F226 VanDerWaalsContact C-N 3.35Å; F226-L229 PolarHBondContact O-N 3.25Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.39Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.35Å; F226-N230 WeakPolarHBondContact CZ-ND2 3.39Å; F226-N230 WeakPolarHBondContact O-CB 3.35Å; F226-N230 VanDerWaalsContact O-CG 3.29Å; F226-N230 PolarHBondContact O-N 2.85Å; F226-N230 PolarHBondContact O-ND2 3.17Å
227E86.5Confident84.2Confident119 Ų11972.5 Ų72.556%0.55636%0.355SS*.Hα-helixtrans-63.7-43172.5-76.8-165.9167.100112.2E223 D224 N230 Y231E223-E227 WeakPolarHBondContact O-CG 3.34Å; E223-E227 PolarHBondContact O-N 2.76Å; D224-E227 PolarHBondContact O-N 3.21Å; E227-N230 PolarHBondContact O-N 3.01Å; E227-Y231 WeakPolarHBondContact O-CB 3.37Å; E227-Y231 PolarHBondContact O-N 3Å
228Q88.9Confident84.5Confident102 Ų10272.9 Ų72.948%0.47736%0.358SS..Hα-helixtrans-62.5-44.9175.7-72.3178.641.100111.7V196 D224 D225 Y231 A232V196-Q228 HydrophobicContact CG1-CB 4.45Å; V196-Q228 HydrophobicContact CG2-CB 4.27Å; D224-Q228 WeakPolarHBondContact O-CG 3.48Å; D224-Q228 PolarHBondContact O-N 3.01Å; D225-Q228 PolarHBondContact O-N 2.85Å; Q228-Y231 PolarHBondContact O-N 2.85Å; Q228-A232 WeakPolarHBondContact O-CB 3.21Å; Q228-A232 PolarHBondContact O-N 2.98Å
229L89.4Confident85Confident0 Ų074.1 Ų74.10%036%0.358CS..Hα-helixtrans-59.8-48.7175-176.464.6000111V192 L195 V196 Y213 F217 L221 D225 F226 Y231 A232 M233V192-L229 HydrophobicContact CG1-CB 4.39Å; V192-L229 HydrophobicContact CG1-CD1 4.36Å; L195-L229 HydrophobicContact CB-CD1 4Å; L195-L229 HydrophobicContact CD1-CD1 4.18Å; V196-L229 HydrophobicContact CG2-CB 4.49Å; V196-L229 HydrophobicContact CG2-CD1 4.44Å; Y213-L229 HydrophobicContact CD2-CD2 4.46Å; F217-L229 HydrophobicContact CB-CD2 3.74Å; F217-L229 HydrophobicContact CD1-CD2 4.11Å; F217-L229 HydrophobicContact CD2-CD2 3.81Å; F217-L229 HydrophobicContact CE2-CD2 4.41Å; F217-L229 HydrophobicContact CG-CD2 3.63Å; L221-L229 HydrophobicContact CD1-CD2 3.89Å; D225-L229 WeakPolarHBondContact O-CB 3.28Å; D225-L229 PolarHBondContact O-N 2.86Å; F226-L229 PolarHBondContact O-N 3.25Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.36Å; L229-A232 WeakPolarHBondContact O-CB 3.18Å; L229-A232 PolarHBondContact O-N 2.8Å; L229-M233 HydrophobicContact CD1-CE 3.48Å; L229-M233 VanDerWaalsContact CD1-CE 3.48Å; L229-M233 HydrophobicContact CD1-CG 4.39Å; L229-M233 HydrophobicContact CG-CE 4.28Å; L229-M233 HydrophobicContact CG-CG 4.41Å; L229-M233 WeakPolarHBondContact O-CB 3.29Å; L229-M233 VanDerWaalsContact O-CG 3.25Å; L229-M233 WeakPolarHBondContact O-CG 3.31Å; L229-M233 PolarHBondContact O-N 3.29Å
230N86.3Confident85.5Confident25 Ų2575 Ų7513%0.13436%0.359CS..Hα-helixtrans-59-40.9176.8-81.1-42.6000112.3Y213 F226 E227 M233 K234Y213-N230 WeakPolarHBondContact CE2-OD1 3.46Å; Y213-N230 PolarHBondContact OH-OD1 3Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.39Å; F226-N230 WeakPolarHBondContact CE1-ND2 3.35Å; F226-N230 WeakPolarHBondContact CZ-ND2 3.39Å; F226-N230 WeakPolarHBondContact O-CB 3.35Å; F226-N230 VanDerWaalsContact O-CG 3.29Å; F226-N230 PolarHBondContact O-N 2.85Å; F226-N230 PolarHBondContact O-ND2 3.17Å; E227-N230 PolarHBondContact O-N 3.01Å; N230-M233 PolarHBondContact O-N 3.41Å; N230-K234 WeakPolarHBondContact O-CG 3.14Å; N230-K234 PolarHBondContact O-N 3.49Å
231Y87.6Confident85.6Confident168 Ų16873.2 Ų73.266%0.65935%0.352SS*.Hα-helixtrans-64-45175.7-179-96.1000111.5E227 Q228 L229 K234 K235E227-Y231 WeakPolarHBondContact O-CB 3.37Å; E227-Y231 PolarHBondContact O-N 3Å; Q228-Y231 PolarHBondContact O-N 2.85Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.36Å; Y231-K234 PolarHBondContact O-N 2.87Å; Y231-K235 PolarHBondContact O-N 2.9Å
232A88.5Confident85Confident13 Ų1378.3 Ų78.311%0.10738%0.375CS..Hα-helixtrans-61.5-44.217600000111.9V196 Q228 L229 K234 K235 R236V196-A232 HydrophobicContact CB-CB 4.44Å; V196-A232 HydrophobicContact CG2-CB 4.22Å; Q228-A232 WeakPolarHBondContact O-CB 3.21Å; Q228-A232 PolarHBondContact O-N 2.98Å; L229-A232 WeakPolarHBondContact O-CB 3.18Å; L229-A232 PolarHBondContact O-N 2.8Å; A232-K234 PolarHBondContact O-N 3.22Å; A232-K235 PolarHBondContact O-N 3.5Å; A232-K235 VanDerWaalsContact O-N 3.16Å; A232-R236 PolarHBondContact O-N 2.84Å
233M86.5Confident84.3Confident11 Ų1177.3 Ų77.35%0.05437%0.367CS..Hα-helixtrans-65-35.4177-67.3-58.3167.900112.6L195 M202 Y213 L229 N230 R236 P237 P238L195-M233 HydrophobicContact CB-CE 4.03Å; L195-M233 HydrophobicContact CD1-CE 3.76Å; L195-M233 HydrophobicContact CD2-CE 4.1Å; L195-M233 HydrophobicContact CG-CE 4.18Å; M202-M233 HydrophobicContact CB-CE 3.92Å; M202-M233 HydrophobicContact CB-SD 4.21Å; M202-M233 HydrophobicContact SD-CE 4.02Å; M202-M233 HydrophobicContact SD-SD 4.35Å; Y213-M233 HydrophobicContact CE2-CG 4.08Å; L229-M233 HydrophobicContact CD1-CE 3.48Å; L229-M233 VanDerWaalsContact CD1-CE 3.48Å; L229-M233 HydrophobicContact CD1-CG 4.39Å; L229-M233 HydrophobicContact CG-CE 4.28Å; L229-M233 HydrophobicContact CG-CG 4.41Å; L229-M233 WeakPolarHBondContact O-CB 3.29Å; L229-M233 VanDerWaalsContact O-CG 3.25Å; L229-M233 WeakPolarHBondContact O-CG 3.31Å; L229-M233 PolarHBondContact O-N 3.29Å; N230-M233 PolarHBondContact O-N 3.41Å; M233-R236 CarbonylContact O-C 3.57Å; M233-P237 WeakPolarHBondContact O-CA 3.4Å; M233-P237 VanDerWaalsContact O-N 3.1Å; M233-P238 HydrophobicContact SD-CG 3.65Å
234K86Confident83.9Confident169 Ų16970.5 Ų70.574%0.73533%0.334SS*.Hα-helixtrans-66.3-38.5172.5-76173.3-177.11740112.1N230 Y231 A232N230-K234 WeakPolarHBondContact O-CG 3.14Å; N230-K234 PolarHBondContact O-N 3.49Å; Y231-K234 PolarHBondContact O-N 2.87Å; A232-K234 PolarHBondContact O-N 3.22Å
235K86.7Confident83Confident168 Ų16867 Ų6773%0.7332%0.319SS*.Hα-helixtrans-72.7-38.1178.9-173.6-179.6177.1-173.20112Y231 A232Y231-K235 PolarHBondContact O-N 2.9Å; A232-K235 PolarHBondContact O-N 3.5Å; A232-K235 VanDerWaalsContact O-N 3.16Å
236R85.4Confident82.6Confident103 Ų10369.8 Ų69.839%0.38933%0.329SS..SBendtrans-13286.6178.1-169.8-178.7-174.3-177.40.9109.4G198 A232 M233G198-R236 PolarHBondContact O-NH1 3.21Å; A232-R236 PolarHBondContact O-N 2.84Å; M233-R236 CarbonylContact O-C 3.57Å
237P84.1Confident82.2Confident69 Ų6967.9 Ų67.945%0.44832%0.321SS..PPolyproline II helixtrans-54.4139.3-178.1-28.435.5000112.8R201 M233R201-P237 PolarHBondContact NE-O 3.38Å; R201-P237 VanDerWaalsContact NE-O 3.14Å; R201-P237 PolarHBondContact NH2-O 3.42Å; M233-P237 WeakPolarHBondContact O-CA 3.4Å; M233-P237 VanDerWaalsContact O-N 3.1Å
238P86Confident81.8Confident10 Ų1063.8 Ų63.87%0.06530%0.301CS..PPolyproline II helixtrans-49142.4168.9-27.834.1000111.8M202 Y204 L210 M233 L240M202-P238 HydrophobicContact CB-CB 4.18Å; M202-P238 HydrophobicContact CB-CG 4.32Å; M202-P238 HydrophobicContact CE-CB 4.07Å; M202-P238 HydrophobicContact CE-CG 4.22Å; M202-P238 HydrophobicContact CG-CB 4.36Å; M202-P238 CarbonylContact O-C 3.56Å; M202-P238 VanDerWaalsContact O-CA 3.3Å; M202-P238 WeakPolarHBondContact O-CA 3.15Å; M202-P238 HydrophobicContact SD-CB 4.24Å; M202-P238 HydrophobicContact SD-CG 3.98Å; Y204-P238 HydrophobicContact CD1-CB 3.51Å; Y204-P238 HydrophobicContact CE1-CB 3.71Å; L210-P238 HydrophobicContact CD1-CB 4.19Å; L210-P238 HydrophobicContact CD1-CG 3.86Å; M233-P238 HydrophobicContact SD-CG 3.65Å; P238-L240 PolarHBondContact O-N 2.98Å
239L87.1Confident81.2Confident51 Ų5161 Ų6127%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-80.9120176.9-172.969000109.4M202 A203 Y204 V241 M250 Y258M202-L239 PolarHBondContact O-N 3.35Å; A203-L239 WeakPolarHBondContact CA-O 3.17Å; Y204-L239 WeakPolarHBondContact CD1-O 3.14Å; Y204-L239 PolarHBondContact N-O 2.64Å; L239-V241 HydrophobicContact CD2-CG2 4.1Å; L239-V241 HydrophobicContact CG-CG2 4.08Å; L239-M250 HydrophobicContact CD2-CE 4.5Å; L239-M250 HydrophobicContact CD2-SD 3.6Å; L239-Y258 HydrophobicContact CD2-CE1 4.08Å
240L84.2Confident80.9Confident83 Ų8362 Ų6244%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-73.4127.2170.1178.864.8000109.4Y204 D206 P238Y204-L240 HydrophobicContact CD2-CD1 4.23Å; Y204-L240 HydrophobicContact CE1-CB 4.04Å; Y204-L240 HydrophobicContact CE1-CD1 4.34Å; Y204-L240 HydrophobicContact CE2-CD1 3.6Å; D206-L240 VanDerWaalsContact CA-CD1 3.42Å; D206-L240 HydrophobicContact CB-CD1 3.64Å; P238-L240 PolarHBondContact O-N 2.98Å
241V80.4Confident80.8Confident14 Ų1461.1 Ų61.19%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-128.8123.9176.7-176.30000109.9A203 Y204 N205 L239 T243 K246 I247 M250A203-V241 HydrophobicContact CB-CG2 4.46Å; Y204-V241 PolarHBondContact O-N 2.98Å; N205-V241 WeakPolarHBondContact CA-O 3.39Å; N205-V241 PolarHBondContact ND2-O 3.36Å; L239-V241 HydrophobicContact CD2-CG2 4.1Å; L239-V241 HydrophobicContact CG-CG2 4.08Å; V241-T243 VanDerWaalsContact C-N 3.34Å; V241-T243 PolarHBondContact O-N 3.24Å; V241-K246 HydrophobicContact CG1-CB 3.41Å; V241-K246 VanDerWaalsContact CG1-CB 3.41Å; V241-I247 HydrophobicContact CB-CD1 4.29Å; V241-I247 HydrophobicContact CB-CG1 3.59Å; V241-I247 HydrophobicContact CG1-CG1 3.62Å; V241-I247 HydrophobicContact CG2-CG1 4.25Å; V241-M250 HydrophobicContact CG2-CE 3.55Å; V241-M250 HydrophobicContact CG2-SD 4.29Å
242E67.6Low80.4Confident134 Ų13455.8 Ų55.863%0.62628%0.276SS*.SBendtrans-58.3-40-169.6-64170.4-175.300113.6N205 K246N205-E242 PolarHBondContact ND2-O 3.19Å; N205-E242 VanDerWaalsContact ND2-O 3.14Å; E242-K246 HydrophobicContact CB-CD 4.41Å; E242-K246 IonicContact OE2-NZ 3.14Å; E242-K246 PolarHBondContact OE2-NZ 3.07Å
243T68.3Low80Confident34 Ų3460.4 Ų60.421%0.20930%0.304CS..  trans-130.8149.4-174.772.70000112.1N205 V241 S245 K246 I247N205-T243 WeakPolarHBondContact ND2-CA 3.27Å; V241-T243 VanDerWaalsContact C-N 3.34Å; V241-T243 PolarHBondContact O-N 3.24Å; T243-S245 PolarHBondContact O-N 3.38Å; T243-K246 WeakPolarHBondContact O-CB 3.47Å; T243-K246 PolarHBondContact O-N 3.34Å; T243-K246 VanDerWaalsContact O-N 3.1Å; T243-K246 VanDerWaalsContact OG1-CG 3.29Å; T243-K246 WeakPolarHBondContact OG1-CG 3.07Å; T243-K246 PolarHBondContact OG1-N 3.15Å; T243-I247 PolarHBondContact O-N 2.75Å
244R72.4Confident79.9Confident14 Ų1462 Ų625%0.05331%0.313CS..Hα-helixtrans-59.7-34174.3-67.7-179.4-179.677.90.1111.9N205 E207 Y208 I247 K248 D262 Y269 F330N205-R244 PolarHBondContact ND2-N 3.32Å; E207-R244 IonicContact OE1-NH1 3.6Å; E207-R244 PolarHBondContact OE1-NH1 3.35Å; E207-R244 IonicContact OE2-CZ 3.75Å; E207-R244 IonicContact OE2-NH1 3.86Å; E207-R244 PolarHBondContact OE2-NH1 2.79Å; E207-R244 IonicContact OE2-NH2 3.59Å; E207-R244 PolarHBondContact OE2-NH2 3.19Å; Y208-R244 PolarHBondContact OH-NH2 2.89Å; R244-I247 WeakPolarHBondContact O-CB 3.44Å; R244-I247 PolarHBondContact O-N 2.88Å; R244-K248 PolarHBondContact O-N 3.28Å; R244-D262 WeakPolarHBondContact CD-OD2 3.43Å; R244-D262 IonicContact NE-OD1 3.62Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NE-OD2 3.99Å; R244-D262 PolarHBondContact NE-OD2 2.83Å; R244-D262 IonicContact NH2-OD1 2.61Å; R244-Y269 HydrophobicContact CB-CE1 4.24Å; R244-F330 VanDerWaalsContact NH1-CZ 3.33Å
245S69.2Low79.7Confident38 Ų3860.3 Ų60.327%0.26632%0.318SS..Hα-helixtrans-60.7-42.8173.1-55.10000112.1T243 K248 A249 Y269T243-S245 PolarHBondContact O-N 3.38Å; S245-K248 PolarHBondContact O-N 2.94Å; S245-A249 WeakPolarHBondContact O-CB 3.48Å; S245-A249 PolarHBondContact O-N 3.24Å; S245-Y269 PolarHBondContact OG-OH 3.36Å; S245-Y269 VanDerWaalsContact OG-OH 3.14Å
246K77.4Confident79.5Confident97 Ų9754.2 Ų54.242%0.42230%0.3SS..Hα-helixtrans-66.8-37.2173.8-73174.4-173.5-174.50111.9V241 E242 T243 A249 M250V241-K246 HydrophobicContact CG1-CB 3.41Å; V241-K246 VanDerWaalsContact CG1-CB 3.41Å; E242-K246 HydrophobicContact CB-CD 4.41Å; E242-K246 IonicContact OE2-NZ 3.14Å; E242-K246 PolarHBondContact OE2-NZ 3.07Å; T243-K246 WeakPolarHBondContact O-CB 3.47Å; T243-K246 PolarHBondContact O-N 3.34Å; T243-K246 VanDerWaalsContact O-N 3.1Å; T243-K246 VanDerWaalsContact OG1-CG 3.29Å; T243-K246 WeakPolarHBondContact OG1-CG 3.07Å; T243-K246 PolarHBondContact OG1-N 3.15Å; K246-A249 PolarHBondContact O-N 3.37Å; K246-M250 WeakPolarHBondContact O-CB 3.05Å; K246-M250 PolarHBondContact O-N 3.33Å
247I78Confident79.7Confident4 Ų451.4 Ų51.42%0.02130%0.295CS..Hα-helixtrans-59.3-49.6173.1-68175.5000110.2L97 N205 V241 T243 R244 M250 L251 S260L97-I247 HydrophobicContact CD1-CG2 4.39Å; N205-I247 HydrophobicContact CB-CD1 3.82Å; V241-I247 HydrophobicContact CB-CD1 4.29Å; V241-I247 HydrophobicContact CB-CG1 3.59Å; V241-I247 HydrophobicContact CG1-CG1 3.62Å; V241-I247 HydrophobicContact CG2-CG1 4.25Å; T243-I247 PolarHBondContact O-N 2.75Å; R244-I247 WeakPolarHBondContact O-CB 3.44Å; R244-I247 PolarHBondContact O-N 2.88Å; I247-M250 HydrophobicContact CG1-CE 4.47Å; I247-M250 PolarHBondContact O-N 3.01Å; I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 2.78Å; I247-S260 WeakPolarHBondContact CG2-OG 3.34Å
248K76.8Confident80Confident32 Ų3249.4 Ų49.414%0.13928%0.279CS..Hα-helixtrans-60.4-51.7177.5-175.3-172173.9-142.90111.6R244 S245 M250 L251 E252 S277 V279R244-K248 PolarHBondContact O-N 3.28Å; S245-K248 PolarHBondContact O-N 2.94Å; K248-M250 PolarHBondContact O-N 3.04Å; K248-L251 PolarHBondContact O-N 3.37Å; K248-L251 VanDerWaalsContact O-N 3.1Å; K248-E252 WeakPolarHBondContact CE-OE1 3.5Å; K248-E252 HydrophobicContact CG-CG 4.47Å; K248-E252 IonicContact NZ-OE1 3.91Å; K248-E252 WeakPolarHBondContact O-CG 3.16Å; K248-E252 PolarHBondContact O-N 2.9Å; K248-S277 WeakPolarHBondContact CE-OG 3.33Å; K248-V279 HydrophobicContact CG-CG2 4.08Å
249A76.4Confident80.2Confident43 Ų4349 Ų4936%0.35528%0.276SS..Hα-helixtrans-57.6-39.6179.500000111.6S245 K246 E252 T253S245-A249 WeakPolarHBondContact O-CB 3.48Å; S245-A249 PolarHBondContact O-N 3.24Å; K246-A249 PolarHBondContact O-N 3.37Å; A249-E252 PolarHBondContact O-N 3.49Å; A249-T253 WeakPolarHBondContact O-CB 3.47Å; A249-T253 WeakPolarHBondContact O-CG2 3.2Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 3.16Å
250M83.1Confident80.2Confident23 Ų2346.6 Ų46.611%0.11326%0.264CS..Hα-helixtrans-63.9-47.5173.9173.8-179.247.400112.2A203 L239 V241 K246 I247 K248 E252 T253 D254 Y258A203-M250 HydrophobicContact CB-CE 3.52Å; L239-M250 HydrophobicContact CD2-CE 4.5Å; L239-M250 HydrophobicContact CD2-SD 3.6Å; V241-M250 HydrophobicContact CG2-CE 3.55Å; V241-M250 HydrophobicContact CG2-SD 4.29Å; K246-M250 WeakPolarHBondContact O-CB 3.05Å; K246-M250 PolarHBondContact O-N 3.33Å; I247-M250 HydrophobicContact CG1-CE 4.47Å; I247-M250 PolarHBondContact O-N 3.01Å; K248-M250 PolarHBondContact O-N 3.04Å; M250-E252 PolarHBondContact O-N 3.24Å; M250-T253 PolarHBondContact O-N 3.22Å; M250-D254 HydrophobicContact CG-CB 4.26Å; M250-D254 WeakPolarHBondContact O-CB 3.41Å; M250-D254 PolarHBondContact O-N 2.89Å; M250-Y258 HydrophobicContact CG-CD2 4.07Å; M250-Y258 HydrophobicContact CG-CE2 4.14Å; M250-Y258 HydrophobicContact CG-CG 4.36Å; M250-Y258 HydrophobicContact SD-CD1 3.98Å; M250-Y258 HydrophobicContact SD-CD2 4.35Å; M250-Y258 HydrophobicContact SD-CE1 3.92Å; M250-Y258 HydrophobicContact SD-CE2 4.33Å; M250-Y258 HydrophobicContact SD-CG 4.17Å
251L85.7Confident80.2Confident5 Ų542.9 Ų42.93%0.02624%0.244CC..Hα-helixtrans-58.4-37176.1-71.6166.3000111.6L97 K99 I247 K248 Y258 V279L97-L251 HydrophobicContact CB-CD1 3.73Å; K99-L251 VanDerWaalsContact CD-O 3.26Å; K99-L251 WeakPolarHBondContact CD-O 3.48Å; K99-L251 WeakPolarHBondContact CE-O 3.41Å; K99-L251 WeakPolarHBondContact CG-O 3.07Å; K99-L251 PolarHBondContact NZ-O 3.48Å; I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 2.78Å; K248-L251 PolarHBondContact O-N 3.37Å; K248-L251 VanDerWaalsContact O-N 3.1Å; L251-Y258 WeakPolarHBondContact CD2-O 3.47Å; L251-V279 HydrophobicContact CB-CG2 3.7Å; L251-V279 HydrophobicContact CD1-CG1 3.98Å; L251-V279 HydrophobicContact CD1-CG2 4.37Å
252E79.1Confident80.1Confident56 Ų5642.4 Ų42.426%0.26224%0.241SC..Hα-helixtrans-73.1-46.8178.4-67.6179.2153.800112.7K99 K248 A249 M250 S277 I278 V279K99-E252 PolarHBondContact NZ-O 3.07Å; K248-E252 WeakPolarHBondContact CE-OE1 3.5Å; K248-E252 HydrophobicContact CG-CG 4.47Å; K248-E252 IonicContact NZ-OE1 3.91Å; K248-E252 WeakPolarHBondContact O-CG 3.16Å; K248-E252 PolarHBondContact O-N 2.9Å; A249-E252 PolarHBondContact O-N 3.49Å; M250-E252 PolarHBondContact O-N 3.24Å; E252-S277 VanDerWaalsContact OE1-CB 3.26Å; E252-S277 WeakPolarHBondContact OE1-CB 3.11Å; E252-S277 PolarHBondContact OE1-OG 3.22Å; E252-I278 HydrophobicContact CB-CG1 4.37Å; E252-I278 HydrophobicContact CG-CG1 4.01Å; E252-V279 HydrophobicContact CG-CG2 3.62Å
253T79.8Confident80.3Confident110 Ų11037.3 Ų37.368%0.67522%0.216SC*.Hα-helixtrans-98.2-29.3-165.959.50000114.7A249 M250A249-T253 WeakPolarHBondContact O-CB 3.47Å; A249-T253 WeakPolarHBondContact O-CG2 3.2Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 3.16Å; M250-T253 PolarHBondContact O-N 3.22Å
254D84.1Confident80.3Confident46 Ų4638.4 Ų38.425%0.24622%0.221CC..  trans-74.5133.2-177-160-39.2000110K99 M250 A256 Y258K99-D254 PolarHBondContact NZ-O 3.37Å; M250-D254 HydrophobicContact CG-CB 4.26Å; M250-D254 WeakPolarHBondContact O-CB 3.41Å; M250-D254 PolarHBondContact O-N 2.89Å; D254-A256 VanDerWaalsContact C-N 3.27Å; D254-A256 WeakPolarHBondContact OD1-CB 3.35Å; D254-A256 PolarHBondContact OD1-N 3.17Å; D254-Y258 HydrophobicContact CB-CD2 4.22Å; D254-Y258 HydrophobicContact CB-CE2 3.71Å; D254-Y258 WeakPolarHBondContact OD2-CE2 3.13Å; D254-Y258 PolarHBondContact OD2-OH 2.82Å
255P81Confident79.9Confident132 Ų13238.3 Ų38.386%0.85722%0.223SC*.SBendtrans-67.7-24.1171.526.8-36.9000113.6
256A84.2Confident79.6Confident41 Ų4136.6 Ų36.634%0.33921%0.211SC..SBendtrans-73.4150.2176.900000111.3D254 Y258D254-A256 VanDerWaalsContact C-N 3.27Å; D254-A256 WeakPolarHBondContact OD1-CB 3.35Å; D254-A256 PolarHBondContact OD1-N 3.17Å; A256-Y258 HydrophobicContact CB-CD2 4.44Å; A256-Y258 HydrophobicContact CB-CE2 3.72Å; A256-Y258 VanDerWaalsContact O-CD2 3.31Å; A256-Y258 WeakPolarHBondContact O-CD2 3.4Å; A256-Y258 PolarHBondContact O-N 3.16Å
257C88.8Confident78.9Confident44 Ų4432.7 Ų32.730%0.29719%0.194SC..EExtended strand (participates in β ladder)trans-75.5123.7174.8178.70000110.3C200 R201C200-C257 CarbonylContact C-O 3.17Å; C200-C257 VanDerWaalsContact CA-O 3.3Å; C200-C257 WeakPolarHBondContact CA-O 3.41Å; C200-C257 HydrophobicContact CB-CB 3.78Å; C200-C257 WeakPolarHBondContact CB-SG 3.38Å; C200-C257 WeakPolarHBondContact SG-CB 3.29Å; C200-C257 CovalentContact SG-SG 2.03Å; C200-C257 PolarHBondContact SG-SG 2.92Å; R201-C257 PolarHBondContact N-O 2.86Å
258Y90.5Very high78Confident27 Ų2734.8 Ų34.811%0.10621%0.208CC..EExtended strand (participates in β ladder)trans-119.3147.5168.6-63.8-93.3000111R201 A203 L239 M250 L251 D254 A256R201-Y258 HydrophobicContact CB-CD1 3.92Å; R201-Y258 HydrophobicContact CB-CE1 3.99Å; R201-Y258 HydrophobicContact CG-CE1 4.4Å; R201-Y258 WeakPolarHBondContact O-CA 2.99Å; A203-Y258 HydrophobicContact CB-CD1 4.34Å; L239-Y258 HydrophobicContact CD2-CE1 4.08Å; M250-Y258 HydrophobicContact CG-CD2 4.07Å; M250-Y258 HydrophobicContact CG-CE2 4.14Å; M250-Y258 HydrophobicContact CG-CG 4.36Å; M250-Y258 HydrophobicContact SD-CD1 3.98Å; M250-Y258 HydrophobicContact SD-CD2 4.35Å; M250-Y258 HydrophobicContact SD-CE1 3.92Å; M250-Y258 HydrophobicContact SD-CE2 4.33Å; M250-Y258 HydrophobicContact SD-CG 4.17Å; L251-Y258 WeakPolarHBondContact CD2-O 3.47Å; D254-Y258 HydrophobicContact CB-CD2 4.22Å; D254-Y258 HydrophobicContact CB-CE2 3.71Å; D254-Y258 WeakPolarHBondContact OD2-CE2 3.13Å; D254-Y258 PolarHBondContact OD2-OH 2.82Å; A256-Y258 HydrophobicContact CB-CD2 4.44Å; A256-Y258 HydrophobicContact CB-CE2 3.72Å; A256-Y258 VanDerWaalsContact O-CD2 3.31Å; A256-Y258 WeakPolarHBondContact O-CD2 3.4Å; A256-Y258 PolarHBondContact O-N 3.16Å
259I90Very high77.2Confident1 Ų133.6 Ų33.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-123.6125173.4-57.4-176.3000106.7F96 L98 Y185 V191 L195 C200 R201 M202 A203F96-I259 HydrophobicContact CD1-CG2 3.71Å; F96-I259 HydrophobicContact CE1-CG2 4.17Å; L98-I259 HydrophobicContact CD2-CB 4.05Å; L98-I259 HydrophobicContact CD2-CD1 4.14Å; L98-I259 HydrophobicContact CD2-CG1 3.61Å; L98-I259 HydrophobicContact CD2-CG2 3.78Å; Y185-I259 HydrophobicContact CD2-CD1 4.33Å; Y185-I259 HydrophobicContact CE2-CD1 3.9Å; V191-I259 HydrophobicContact CB-CD1 4.46Å; V191-I259 HydrophobicContact CG1-CD1 3.82Å; V191-I259 HydrophobicContact CG1-CG2 4.03Å; V191-I259 HydrophobicContact CG2-CD1 4.49Å; L195-I259 HydrophobicContact CD2-CD1 4.38Å; L195-I259 HydrophobicContact CG-CD1 4.3Å; C200-I259 HydrophobicContact CB-CD1 3.81Å; C200-I259 HydrophobicContact CB-CG1 3.85Å; R201-I259 PolarHBondContact O-N 3.17Å; M202-I259 CarbonylContact C-O 3.48Å; M202-I259 VanDerWaalsContact CA-O 3.32Å; M202-I259 WeakPolarHBondContact CA-O 3.35Å; A203-I259 PolarHBondContact N-O 2.83Å
260S88.1Confident76.4Confident1 Ų131.9 Ų31.91%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-122.4166.8170.7-163.50000109.6F96 L97 A203 I247F96-S260 CarbonylContact C-O 3.51Å; F96-S260 WeakPolarHBondContact CA-O 2.92Å; L97-S260 PolarHBondContact N-O 2.83Å; L97-S260 PolarHBondContact O-N 2.81Å; A203-S260 WeakPolarHBondContact O-CA 3.19Å; A203-S260 VanDerWaalsContact O-CB 3.28Å; A203-S260 WeakPolarHBondContact O-CB 3.32Å; A203-S260 PolarHBondContact O-OG 3.36Å; I247-S260 WeakPolarHBondContact CG2-OG 3.34Å
261F83.7Confident75.2Confident4 Ų438.5 Ų38.52%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-144154.2175.953.2-93.9000109.8V95 F96 M202 F212 V216 F217V95-F261 CarbonylContact O-C 3.38Å; V95-F261 WeakPolarHBondContact O-CA 3.14Å; V95-F261 VanDerWaalsContact O-CB 3.31Å; V95-F261 WeakPolarHBondContact O-CB 3.43Å; F96-F261 HydrophobicContact CD1-CB 4.19Å; F96-F261 HydrophobicContact CE1-CB 4.26Å; F96-F261 HydrophobicContact CE1-CD1 4.39Å; F96-F261 HydrophobicContact CG-CB 4.41Å; M202-F261 HydrophobicContact CE-CD1 4.27Å; M202-F261 HydrophobicContact CE-CE1 3.11Å; M202-F261 HydrophobicContact CE-CZ 3.34Å; M202-F261 HydrophobicContact CG-CE1 4.1Å; M202-F261 HydrophobicContact SD-CE1 3.6Å; M202-F261 VanDerWaalsContact SD-CE1 3.6Å; M202-F261 HydrophobicContact SD-CZ 4.25Å; F212-F261 AromaticContact CD1-CD2 3.84Å; F212-F261 HydrophobicContact CD1-CD2 3.84Å; F212-F261 AromaticContact CD1-CE2 3.12Å; F212-F261 HydrophobicContact CD1-CE2 3.12Å; F212-F261 HydrophobicContact CD1-CZ 4.04Å; F212-F261 AromaticContact CE1-CD2 3.52Å; F212-F261 HydrophobicContact CE1-CD2 3.52Å; F212-F261 AromaticContact CE1-CE2 3.3Å; F212-F261 HydrophobicContact CE1-CE2 3.3Å; F212-F261 AromaticContact CG-CE2 3.91Å; F212-F261 HydrophobicContact CG-CE2 3.91Å; F212-F261 HydrophobicContact CZ-CD2 4.36Å; F212-F261 HydrophobicContact CZ-CE2 4.23Å; V216-F261 HydrophobicContact CB-CD2 4.33Å; V216-F261 HydrophobicContact CB-CE2 4.09Å; V216-F261 HydrophobicContact CB-CZ 4.46Å; V216-F261 HydrophobicContact CG1-CD2 4.35Å; V216-F261 HydrophobicContact CG1-CG 4.45Å; V216-F261 HydrophobicContact CG2-CD2 3.55Å; V216-F261 HydrophobicContact CG2-CE2 3.33Å; V216-F261 HydrophobicContact CG2-CG 4.42Å; V216-F261 HydrophobicContact CG2-CZ 4.13Å; F217-F261 HydrophobicContact CE2-CE1 4.23Å
262D77.4Confident73.6Confident4 Ų444.3 Ų44.32%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-148.5179.9-175.6-143.5-32.7000109.3H94 V95 L97 Y208 R244 M266 F270H94-D262 WeakPolarHBondContact CA-O 3.22Å; V95-D262 HydrophobicContact CG2-CB 4.3Å; V95-D262 WeakPolarHBondContact CG2-O 3.3Å; V95-D262 PolarHBondContact N-O 3.28Å; V95-D262 PolarHBondContact O-N 3.36Å; L97-D262 HydrophobicContact CD1-CB 4.37Å; Y208-D262 PolarHBondContact OH-OD1 3.04Å; R244-D262 WeakPolarHBondContact CD-OD2 3.43Å; R244-D262 IonicContact NE-OD1 3.62Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NE-OD2 3.99Å; R244-D262 PolarHBondContact NE-OD2 2.83Å; R244-D262 IonicContact NH2-OD1 2.61Å; D262-M266 WeakPolarHBondContact OD1-CG 3.22Å; D262-F270 HydrophobicContact CB-CE2 4.04Å; D262-F270 WeakPolarHBondContact OD2-CE2 3.04Å
263Y71.7Confident72.5Confident28 Ų2844 Ų4411%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-82.6149.2173.7-66.2-50.2000111.9D92 H94 Y208 F212 A265 M266 Y292D92-Y263 HydrophobicContact CB-CD1 4.47Å; D92-Y263 WeakPolarHBondContact OD2-CB 3.05Å; H94-Y263 AromaticContact CD2-CE1 3.86Å; H94-Y263 AromaticContact NE2-CE1 3.8Å; Y208-Y263 HydrophobicContact CD1-CE2 4.03Å; Y208-Y263 AromaticContact CE1-CD2 3.77Å; Y208-Y263 HydrophobicContact CE1-CD2 3.77Å; Y208-Y263 AromaticContact CE1-CE2 3.21Å; Y208-Y263 HydrophobicContact CE1-CE2 3.21Å; Y208-Y263 AromaticContact CE1-CZ 3.91Å; Y208-Y263 AromaticContact CZ-CD2 3.81Å; Y208-Y263 AromaticContact CZ-CE2 3.73Å; Y208-Y263 WeakPolarHBondContact OH-CD2 3.43Å; F212-Y263 AromaticContact CE2-CE1 3.75Å; F212-Y263 HydrophobicContact CE2-CE1 3.75Å; F212-Y263 AromaticContact CE2-CZ 3.69Å; F212-Y263 WeakPolarHBondContact CE2-OH 3.4Å; F212-Y263 HydrophobicContact CZ-CD1 4.24Å; F212-Y263 AromaticContact CZ-CE1 3.36Å; F212-Y263 HydrophobicContact CZ-CE1 3.36Å; F212-Y263 HydrophobicContact CZ-CE2 4.33Å; F212-Y263 AromaticContact CZ-CZ 3.44Å; F212-Y263 VanDerWaalsContact CZ-CZ 3.44Å; F212-Y263 WeakPolarHBondContact CZ-OH 3.41Å; Y263-A265 PolarHBondContact O-N 3.31Å; Y263-M266 WeakPolarHBondContact O-CA 3.49Å; Y263-M266 VanDerWaalsContact O-CB 3.25Å; Y263-M266 WeakPolarHBondContact O-CB 3.33Å; Y263-M266 PolarHBondContact O-N 3.06Å; Y263-Y292 WeakPolarHBondContact CD1-OH 3.34Å; Y263-Y292 HydrophobicContact CE1-CE1 4.36Å; Y263-Y292 AromaticContact CE1-CZ 3.92Å; Y263-Y292 WeakPolarHBondContact CE1-OH 3.4Å
264N68.9Low71.3Confident57 Ų5740.9 Ų40.931%0.30522%0.218SC..G310 helixtrans-62.8-27.7174.9-171.846.5000111.7D92 T93 V95 M266 I267D92-N264 VanDerWaalsContact OD1-CA 3.28Å; D92-N264 WeakPolarHBondContact OD1-CA 3.24Å; D92-N264 WeakPolarHBondContact OD1-CB 3.35Å; D92-N264 PolarHBondContact OD1-N 3.12Å; T93-N264 WeakPolarHBondContact O-CB 3.08Å; T93-N264 PolarHBondContact O-N 3.43Å; T93-N264 WeakPolarHBondContact OG1-CB 3.21Å; T93-N264 VanDerWaalsContact OG1-CG 3.28Å; T93-N264 PolarHBondContact OG1-ND2 2.88Å; V95-N264 HydrophobicContact CG1-CB 3.91Å; N264-M266 PolarHBondContact O-N 2.03Å; N264-M266 VanDerWaalsContact O-N 3.08Å; N264-I267 WeakPolarHBondContact O-CB 3.47Å; N264-I267 VanDerWaalsContact O-CG1 3.29Å; N264-I267 WeakPolarHBondContact O-CG1 3.43Å; N264-I267 PolarHBondContact O-N 3.45Å; N264-I267 WeakPolarHBondContact OD1-CD1 3.5Å; N264-I267 WeakPolarHBondContact OD1-CG1 3.49Å
265A63Low69.7Low11 Ų1141.9 Ų41.99%0.09124%0.239CC..G310 helixtrans-57.1-20.5169.800000113.2D92 Y263 P268 M326D92-A265 PolarHBondContact OD1-N 3.5Å; D92-A265 WeakPolarHBondContact OD2-CB 3.48Å; D92-A265 PolarHBondContact OD2-N 2.98Å; Y263-A265 PolarHBondContact O-N 3.31Å; A265-P268 VanDerWaalsContact O-CD 3.29Å; A265-P268 WeakPolarHBondContact O-CD 3.25Å; A265-M326 HydrophobicContact CB-SD 3.85Å
266M64.1Low68.6Low3 Ų344.8 Ų44.82%0.01524%0.238CC..G310 helixtrans-87.7-4.3175.7-53.9-54.6127.900113.6D262 Y263 N264 P268 Y269 F270 M326 F330D262-M266 WeakPolarHBondContact OD1-CG 3.22Å; Y263-M266 WeakPolarHBondContact O-CA 3.49Å; Y263-M266 VanDerWaalsContact O-CB 3.25Å; Y263-M266 WeakPolarHBondContact O-CB 3.33Å; Y263-M266 PolarHBondContact O-N 3.06Å; N264-M266 PolarHBondContact O-N 2.03Å; N264-M266 VanDerWaalsContact O-N 3.08Å; M266-P268 VanDerWaalsContact C-CD 3.44Å; M266-P268 VanDerWaalsContact C-N 3.32Å; M266-Y269 WeakPolarHBondContact O-CB 3.48Å; M266-Y269 PolarHBondContact O-N 2.88Å; M266-Y269 VanDerWaalsContact O-N 3.09Å; M266-F270 HydrophobicContact CB-CD2 4.11Å; M266-F270 HydrophobicContact CB-CE2 3.77Å; M266-F270 WeakPolarHBondContact O-CD2 3.03Å; M266-F270 PolarHBondContact O-N 2.87Å; M266-M326 HydrophobicContact CE-CB 3.87Å; M266-M326 HydrophobicContact CE-CE 3.83Å; M266-M326 HydrophobicContact CE-CG 3.88Å; M266-M326 HydrophobicContact CE-SD 3.55Å; M266-M326 VanDerWaalsContact CE-SD 3.55Å; M266-F330 HydrophobicContact CE-CD2 4.14Å; M266-F330 HydrophobicContact CE-CE2 3.62Å; M266-F330 HydrophobicContact SD-CD2 3.2Å; M266-F330 WeakPolarHBondContact SD-CD2 3.34Å; M266-F330 HydrophobicContact SD-CE2 3.04Å; M266-F330 WeakPolarHBondContact SD-CE2 3.29Å; M266-F330 HydrophobicContact SD-CG 4.17Å; M266-F330 HydrophobicContact SD-CZ 3.85Å
267I62.5Low67.7Low15 Ų1543 Ų438%0.07722%0.223CC..Hα-helixtrans-51.5-44.1176.1-76.5-151.8000112.7V95 N264 Y269 F270 R271 V281V95-I267 HydrophobicContact CG1-CD1 4.12Å; V95-I267 HydrophobicContact CG1-CG1 4.23Å; N264-I267 WeakPolarHBondContact O-CB 3.47Å; N264-I267 VanDerWaalsContact O-CG1 3.29Å; N264-I267 WeakPolarHBondContact O-CG1 3.43Å; N264-I267 PolarHBondContact O-N 3.45Å; N264-I267 WeakPolarHBondContact OD1-CD1 3.5Å; N264-I267 WeakPolarHBondContact OD1-CG1 3.49Å; I267-Y269 VanDerWaalsContact C-N 3.3Å; I267-Y269 PolarHBondContact O-N 2.86Å; I267-F270 PolarHBondContact O-N 3.14Å; I267-R271 HydrophobicContact CG2-CG 3.65Å; I267-R271 VanDerWaalsContact O-CB 3.28Å; I267-R271 WeakPolarHBondContact O-CB 3.25Å; I267-R271 WeakPolarHBondContact O-CG 3.22Å; I267-R271 PolarHBondContact O-N 2.87Å; I267-V281 HydrophobicContact CD1-CG1 4.1Å; I267-V281 HydrophobicContact CG1-CG1 4.05Å
268P58.5Low66.9Low48 Ų4843.6 Ų43.631%0.31222%0.223SC..Hα-helixtrans-58.5-39.7179-26.937.5000113.3A265 M266 L272 A327A265-P268 VanDerWaalsContact O-CD 3.29Å; A265-P268 WeakPolarHBondContact O-CD 3.25Å; M266-P268 VanDerWaalsContact C-CD 3.44Å; M266-P268 VanDerWaalsContact C-N 3.32Å; P268-L272 WeakPolarHBondContact O-CD1 3.32Å; P268-L272 WeakPolarHBondContact O-CG 3.16Å; P268-L272 PolarHBondContact O-N 3.42Å; P268-L272 VanDerWaalsContact O-N 3.14Å; P268-A327 HydrophobicContact CB-CB 3.6Å; P268-A327 HydrophobicContact CG-CB 3.9Å
269Y59.7Low66.2Low7 Ų742.6 Ų42.63%0.02722%0.22CC..Hα-helixtrans-59.3-48.8175169.7-112.4000111.5R244 S245 M266 I267 F330R244-Y269 HydrophobicContact CB-CE1 4.24Å; S245-Y269 PolarHBondContact OG-OH 3.36Å; S245-Y269 VanDerWaalsContact OG-OH 3.14Å; M266-Y269 WeakPolarHBondContact O-CB 3.48Å; M266-Y269 PolarHBondContact O-N 2.88Å; M266-Y269 VanDerWaalsContact O-N 3.09Å; I267-Y269 VanDerWaalsContact C-N 3.3Å; I267-Y269 PolarHBondContact O-N 2.86Å; Y269-F330 HydrophobicContact CD1-CB 4.47Å; Y269-F330 VanDerWaalsContact CD2-C 3.5Å; Y269-F330 HydrophobicContact CD2-CB 3.44Å; Y269-F330 VanDerWaalsContact CD2-CB 3.44Å; Y269-F330 WeakPolarHBondContact CD2-O 3.45Å; Y269-F330 HydrophobicContact CE2-CB 4.13Å; Y269-F330 WeakPolarHBondContact CE2-O 3.49Å; Y269-F330 HydrophobicContact CG-CB 3.61Å; Y269-F330 HydrophobicContact CG-CG 4.44Å
270F60Low65.5Low7 Ų744.4 Ų44.43%0.03123%0.227CC..Hα-helixtrans-73.4-40.8-179.4-65.9-66.2000112.7L97 D262 M266 I267 L272 Q273 E274 V281L97-F270 HydrophobicContact CD1-CE1 3.67Å; L97-F270 HydrophobicContact CD1-CE2 3.96Å; L97-F270 HydrophobicContact CD1-CZ 3.35Å; L97-F270 HydrophobicContact CD2-CD1 3.83Å; L97-F270 HydrophobicContact CD2-CD2 3.8Å; L97-F270 HydrophobicContact CD2-CE1 3.81Å; L97-F270 HydrophobicContact CD2-CE2 3.78Å; L97-F270 HydrophobicContact CD2-CG 3.84Å; L97-F270 HydrophobicContact CD2-CZ 3.8Å; L97-F270 HydrophobicContact CG-CE1 4.4Å; L97-F270 HydrophobicContact CG-CE2 4.41Å; L97-F270 HydrophobicContact CG-CZ 4.19Å; D262-F270 HydrophobicContact CB-CE2 4.04Å; D262-F270 WeakPolarHBondContact OD2-CE2 3.04Å; M266-F270 HydrophobicContact CB-CD2 4.11Å; M266-F270 HydrophobicContact CB-CE2 3.77Å; M266-F270 WeakPolarHBondContact O-CD2 3.03Å; M266-F270 PolarHBondContact O-N 2.87Å; I267-F270 PolarHBondContact O-N 3.14Å; F270-L272 PolarHBondContact O-N 3.16Å; F270-Q273 CarbonylContact O-C 3.51Å; F270-Q273 WeakPolarHBondContact O-CA 3.26Å; F270-Q273 WeakPolarHBondContact O-CB 3.11Å; F270-Q273 PolarHBondContact O-N 3.46Å; F270-E274 WeakPolarHBondContact O-CG 3.42Å; F270-E274 PolarHBondContact O-N 2.97Å; F270-V281 HydrophobicContact CB-CG2 3.3Å; F270-V281 HydrophobicContact CD2-CG2 4.2Å; F270-V281 HydrophobicContact CG-CG2 3.89Å
271R58.7Low65Low161 Ų16145.7 Ų45.761%0.60824%0.235SC*.Hα-helixtrans-62.2-38.4-179.7-84.1-173.3-176.8162.97.3113.2I267 Q273 E274I267-R271 HydrophobicContact CG2-CG 3.65Å; I267-R271 VanDerWaalsContact O-CB 3.28Å; I267-R271 WeakPolarHBondContact O-CB 3.25Å; I267-R271 WeakPolarHBondContact O-CG 3.22Å; I267-R271 PolarHBondContact O-N 2.87Å; R271-Q273 PolarHBondContact O-N 2.87Å; R271-E274 PolarHBondContact O-N 3.01Å
272L52.8Low64.8Low127 Ų12746.4 Ų46.467%0.66524%0.24SC*.Hα-helixtrans-61.8-24.6173.6-74.3167.3000111.8P268 F270 T331P268-L272 WeakPolarHBondContact O-CD1 3.32Å; P268-L272 WeakPolarHBondContact O-CG 3.16Å; P268-L272 PolarHBondContact O-N 3.42Å; P268-L272 VanDerWaalsContact O-N 3.14Å; F270-L272 PolarHBondContact O-N 3.16Å; L272-T331 HydrophobicContact CD1-CG2 3.25Å
273Q54.6Low64.8Low51 Ų5150 Ų5024%0.23826%0.259CS..Hα-helixtrans-98-20.9178.4-59.6-172.35.100113.8F270 R271 G275 K276 S277F270-Q273 CarbonylContact O-C 3.51Å; F270-Q273 WeakPolarHBondContact O-CA 3.26Å; F270-Q273 WeakPolarHBondContact O-CB 3.11Å; F270-Q273 PolarHBondContact O-N 3.46Å; R271-Q273 PolarHBondContact O-N 2.87Å; Q273-G275 PolarHBondContact O-N 3.42Å; Q273-K276 CarbonylContact O-C 3.5Å; Q273-K276 PolarHBondContact O-N 2.66Å; Q273-S277 WeakPolarHBondContact O-CB 3.31Å; Q273-S277 PolarHBondContact O-N 3.43Å
274E55.5Low65.3Low44 Ų4448.7 Ų48.721%0.20625%0.254CS..Hα-helixtrans-57.9-30.3-179.6-80.7-173.5159.800113.1F270 R271 K276 S277 V281F270-E274 WeakPolarHBondContact O-CG 3.42Å; F270-E274 PolarHBondContact O-N 2.97Å; R271-E274 PolarHBondContact O-N 3.01Å; E274-K276 PolarHBondContact O-N 3.31Å; E274-S277 PolarHBondContact O-N 2.92Å; E274-V281 WeakPolarHBondContact OE1-CG2 3.39Å; E274-V281 PolarHBondContact OE1-N 2.99Å
275G49.9Very low65.5Low67 Ų6751.8 Ų51.869%0.69128%0.277SS*.THydrogen-bonded Turntrans-64.7-16.217500000114.1Q273Q273-G275 PolarHBondContact O-N 3.42Å
276K58.5Low66.1Low193 Ų19354.9 Ų54.984%0.83929%0.289SS*.THydrogen-bonded Turntrans-125.5-1.7-179.7-61.9-178.4-178.7178.50113.1Q273 E274Q273-K276 CarbonylContact O-C 3.5Å; Q273-K276 PolarHBondContact O-N 2.66Å; E274-K276 PolarHBondContact O-N 3.31Å
277S65.4Low66.6Low2 Ų255.1 Ų55.11%0.01429%0.291CS..  trans-116.3143.6-170.6-176.20000111.2K248 E252 Q273 E274 V279K248-S277 WeakPolarHBondContact CE-OG 3.33Å; E252-S277 VanDerWaalsContact OE1-CB 3.26Å; E252-S277 WeakPolarHBondContact OE1-CB 3.11Å; E252-S277 PolarHBondContact OE1-OG 3.22Å; Q273-S277 WeakPolarHBondContact O-CB 3.31Å; Q273-S277 PolarHBondContact O-N 3.43Å; E274-S277 PolarHBondContact O-N 2.92Å; S277-V279 WeakPolarHBondContact OG-CB 3.3Å; S277-V279 PolarHBondContact OG-N 3.01Å
278I71.7Confident66.8Low58 Ų5863.7 Ų63.730%0.29732%0.322SS..SBendtrans-81.5-5.2168.762.3172.8000112.8K99 G100 L181 E252K99-I278 HydrophobicContact CD-CD1 4.41Å; K99-I278 HydrophobicContact CG-CD1 4.02Å; K99-I278 HydrophobicContact CG-CG1 4.43Å; G100-I278 WeakPolarHBondContact CA-O 3.26Å; G100-I278 PolarHBondContact N-O 3.35Å; L181-I278 HydrophobicContact CD1-CB 4.09Å; L181-I278 HydrophobicContact CD1-CG2 4.25Å; L181-I278 HydrophobicContact CD2-CG2 4.48Å; E252-I278 HydrophobicContact CB-CG1 4.37Å; E252-I278 HydrophobicContact CG-CG1 4.01Å
279V75.1Confident67.2Low6 Ų663.3 Ų63.34%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-78.6132.2174.6-176.60000109L97 L98 K248 L251 E252 S277L97-V279 HydrophobicContact CB-CG1 4.21Å; L98-V279 CarbonylContact O-C 3.49Å; L98-V279 WeakPolarHBondContact O-CA 3.28Å; K248-V279 HydrophobicContact CG-CG2 4.08Å; L251-V279 HydrophobicContact CB-CG2 3.7Å; L251-V279 HydrophobicContact CD1-CG1 3.98Å; L251-V279 HydrophobicContact CD1-CG2 4.37Å; E252-V279 HydrophobicContact CG-CG2 3.62Å; S277-V279 WeakPolarHBondContact OG-CB 3.3Å; S277-V279 PolarHBondContact OG-N 3.01Å
280K76.3Confident67.5Low38 Ų3863.7 Ų63.717%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-111.2137.2175.1-68.9-58.2-169.5-171.20109.9L98 M179 L181 V183 V282L98-K280 PolarHBondContact N-O 3.14Å; L98-K280 PolarHBondContact O-N 2.99Å; M179-K280 PolarHBondContact O-NZ 2.8Å; L181-K280 HydrophobicContact CB-CG 4.3Å; V183-K280 HydrophobicContact CG2-CB 4.19Å; V183-K280 HydrophobicContact CG2-CG 4.42Å; K280-V282 HydrophobicContact CB-CG2 4.3Å
281V77.2Confident67.9Low28 Ų2864.5 Ų64.517%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-86.3123.1166.8-171.50000108.9V95 F96 L97 I267 F270 E274V95-V281 HydrophobicContact CB-CG1 3.63Å; V95-V281 HydrophobicContact CG1-CG1 4.19Å; V95-V281 HydrophobicContact CG2-CG1 3.71Å; F96-V281 CarbonylContact O-C 3.58Å; F96-V281 WeakPolarHBondContact O-CA 3.45Å; L97-V281 HydrophobicContact CD2-CG2 3.88Å; I267-V281 HydrophobicContact CD1-CG1 4.1Å; I267-V281 HydrophobicContact CG1-CG1 4.05Å; F270-V281 HydrophobicContact CB-CG2 3.3Å; F270-V281 HydrophobicContact CD2-CG2 4.2Å; F270-V281 HydrophobicContact CG-CG2 3.89Å; E274-V281 WeakPolarHBondContact OE1-CG2 3.39Å; E274-V281 PolarHBondContact OE1-N 2.99Å
282V79.4Confident68.6Low19 Ų1957.6 Ų57.612%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-119.4124.8-174.6-175.30000108.7F96 L98 V183 K280 F284F96-V282 HydrophobicContact CB-CB 4.39Å; F96-V282 PolarHBondContact N-O 3.36Å; F96-V282 PolarHBondContact O-N 2.85Å; L98-V282 HydrophobicContact CB-CG2 4.47Å; L98-V282 HydrophobicContact CD1-CB 4.3Å; L98-V282 HydrophobicContact CD1-CG2 3.98Å; V183-V282 HydrophobicContact CB-CG2 4.32Å; V183-V282 HydrophobicContact CG1-CG1 4.27Å; V183-V282 HydrophobicContact CG1-CG2 3.6Å; V183-V282 HydrophobicContact CG2-CG2 3.71Å; K280-V282 HydrophobicContact CB-CG2 4.3Å; V282-F284 HydrophobicContact CG1-CD1 4.24Å; V282-F284 HydrophobicContact CG1-CE1 3.84Å; V282-F284 HydrophobicContact CG1-CE2 4.13Å; V282-F284 HydrophobicContact CG1-CZ 3.78Å
283N77.9Confident69.8Low79 Ų7953.7 Ų53.742%0.42228%0.282SS..  trans-107114.8171.5-169.7-4.1000108
284F80.8Confident71.2Confident2 Ų251.2 Ų51.21%0.00927%0.27CS..  trans-81.5129.9177.5-68.7-67.7000109.4F96 L98 T187 L188 V191 V282 E286 L287F96-F284 HydrophobicContact CB-CD2 4.45Å; F96-F284 HydrophobicContact CB-CE2 3.87Å; F96-F284 HydrophobicContact CD1-CE2 4.23Å; F96-F284 AromaticContact CD2-CD2 3.49Å; F96-F284 HydrophobicContact CD2-CD2 3.49Å; F96-F284 VanDerWaalsContact CD2-CD2 3.49Å; F96-F284 AromaticContact CD2-CE2 3.64Å; F96-F284 HydrophobicContact CD2-CE2 3.64Å; F96-F284 AromaticContact CE2-CD2 3.91Å; F96-F284 HydrophobicContact CE2-CD2 3.91Å; F96-F284 HydrophobicContact CE2-CE2 4.25Å; F96-F284 HydrophobicContact CG-CD2 4Å; F96-F284 AromaticContact CG-CE2 3.62Å; F96-F284 HydrophobicContact CG-CE2 3.62Å; L98-F284 HydrophobicContact CD1-CZ 4.27Å; T187-F284 WeakPolarHBondContact O-CE1 3.45Å; L188-F284 HydrophobicContact CB-CB 4.33Å; L188-F284 HydrophobicContact CB-CG 4.37Å; L188-F284 HydrophobicContact CD1-CD2 4.2Å; V191-F284 HydrophobicContact CG2-CE1 4.47Å; V191-F284 HydrophobicContact CG2-CE2 3.68Å; V191-F284 HydrophobicContact CG2-CZ 3.48Å; V191-F284 VanDerWaalsContact CG2-CZ 3.48Å; V282-F284 HydrophobicContact CG1-CD1 4.24Å; V282-F284 HydrophobicContact CG1-CE1 3.84Å; V282-F284 HydrophobicContact CG1-CE2 4.13Å; V282-F284 HydrophobicContact CG1-CZ 3.78Å; F284-E286 WeakPolarHBondContact CB-OE2 3.31Å; F284-E286 PolarHBondContact O-N 2.9Å; F284-L287 HydrophobicContact CB-CD1 3.95Å; F284-L287 HydrophobicContact CB-CG 4.11Å; F284-L287 HydrophobicContact CD2-CD1 4.22Å; F284-L287 WeakPolarHBondContact O-CB 3.43Å; F284-L287 PolarHBondContact O-N 3.38Å
285P74.2Confident72.8Confident121 Ų12149.1 Ų49.179%0.78626%0.261SS*.THydrogen-bonded Turntrans-54.1-25.2-178.3-26.433.9000115L287P285-L287 VanDerWaalsContact C-N 3.3Å
286E75.5Confident74.6Confident76 Ų7646 Ų4636%0.35523%0.228SC..THydrogen-bonded Turntrans-68.1-28.5178.1-60.387.9161.800112.6L188 F220 F284 R288L188-E286 HydrophobicContact CB-CB 4.46Å; L188-E286 HydrophobicContact CD2-CB 4.48Å; F220-E286 WeakPolarHBondContact CD1-O 3.35Å; F220-E286 VanDerWaalsContact CE1-O 3.29Å; F220-E286 WeakPolarHBondContact CE1-O 3.48Å; F284-E286 WeakPolarHBondContact CB-OE2 3.31Å; F284-E286 PolarHBondContact O-N 2.9Å; E286-R288 PolarHBondContact O-N 3.03Å; E286-R288 VanDerWaalsContact O-N 3.09Å
287L73.4Confident76Confident8 Ų837.5 Ų37.54%0.04219%0.192CC..  trans-74.5103.2-178.5-60.8169.5000109.5H94 F96 L188 F220 F284 P285H94-L287 HydrophobicContact CB-CD1 4.43Å; H94-L287 VanDerWaalsContact O-CD1 3.23Å; H94-L287 WeakPolarHBondContact O-CD1 3.32Å; F96-L287 HydrophobicContact CD2-CD1 3.76Å; F96-L287 HydrophobicContact CE2-CD1 3.49Å; F96-L287 VanDerWaalsContact CE2-CD1 3.49Å; F96-L287 HydrophobicContact CE2-CD2 4.32Å; F96-L287 HydrophobicContact CE2-CG 4.47Å; L188-L287 HydrophobicContact CD1-CD2 4.36Å; L188-L287 HydrophobicContact CD2-CD2 3.96Å; F220-L287 HydrophobicContact CD2-CD2 3.98Å; F220-L287 HydrophobicContact CE2-CD2 3.99Å; F220-L287 HydrophobicContact CG-CD2 4.44Å; F220-L287 HydrophobicContact CZ-CD2 4.49Å; F284-L287 HydrophobicContact CB-CD1 3.95Å; F284-L287 HydrophobicContact CB-CG 4.11Å; F284-L287 HydrophobicContact CD2-CD1 4.22Å; F284-L287 WeakPolarHBondContact O-CB 3.43Å; F284-L287 PolarHBondContact O-N 3.38Å; P285-L287 VanDerWaalsContact C-N 3.3Å
288R66.8Low77Confident196 Ų19644 Ų4474%0.7422%0.216SC*.PPolyproline II helixtrans-78.6142.3171.9-63-175-176.8-178.32.7109.5F220 E286 Q290F220-R288 HydrophobicContact CE1-CB 3.97Å; F220-R288 HydrophobicContact CE1-CG 4.2Å; F220-R288 VanDerWaalsContact CE1-N 3.3Å; F220-R288 HydrophobicContact CZ-CB 4.37Å; E286-R288 PolarHBondContact O-N 3.03Å; E286-R288 VanDerWaalsContact O-N 3.09Å; R288-Q290 PolarHBondContact O-N 2.92Å
289A68.1Low77.7Confident40 Ų4047.6 Ų47.633%0.33124%0.236SC..PPolyproline II helixtrans-60.3125.2171.300000108.6F91 D92 T93F91-A289 HydrophobicContact CB-CB 3.76Å; F91-A289 HydrophobicContact CD1-CB 4.11Å; F91-A289 HydrophobicContact CG-CB 4.4Å; D92-A289 WeakPolarHBondContact O-CA 3.38Å; T93-A289 VanDerWaalsContact CG2-CA 3.46Å; T93-A289 HydrophobicContact CG2-CB 3.44Å; T93-A289 VanDerWaalsContact CG2-CB 3.44Å
290Q66.2Low78.2Confident15 Ų1548.1 Ų48.17%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-97132.3179.5-66.3-166.310.600108.9D92 R288D92-Q290 PolarHBondContact N-O 2.98Å; D92-Q290 PolarHBondContact O-N 3.39Å; R288-Q290 PolarHBondContact O-N 2.92Å
291P67.2Low78.5Confident24 Ų2453.5 Ų53.516%0.15627%0.268CS..EExtended strand (participates in β ladder)trans-70.5138.4170.525-26.5000109.6A75 G90 F91 Y293A75-P291 HydrophobicContact CB-CG 4.35Å; A75-P291 PolarHBondContact N-O 3.24Å; G90-P291 WeakPolarHBondContact O-CA 3.41Å; F91-P291 HydrophobicContact CD1-CB 4.23Å; F91-P291 HydrophobicContact CE1-CB 3.81Å; F91-P291 HydrophobicContact CE1-CG 4.05Å; F91-P291 HydrophobicContact CZ-CB 4.18Å; P291-Y293 HydrophobicContact CB-CE2 3.71Å; P291-Y293 HydrophobicContact CG-CE2 3.67Å; P291-Y293 WeakPolarHBondContact CG-OH 3.49Å
292Y73.2Confident78.8Confident16 Ų1655.2 Ų55.26%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-91.3148.8169.7-67.5-100.2000110.1L73 T74 F88 G90 D92 Y263L73-Y292 CarbonylContact O-C 3.32Å; L73-Y292 VanDerWaalsContact O-CA 3.3Å; L73-Y292 WeakPolarHBondContact O-CA 3.41Å; T74-Y292 HydrophobicContact CG2-CD1 4.4Å; T74-Y292 HydrophobicContact CG2-CE1 3.83Å; F88-Y292 CarbonylContact C-O 3.4Å; F88-Y292 PolarHBondContact N-O 2.61Å; G90-Y292 WeakPolarHBondContact O-CD2 3.41Å; G90-Y292 PolarHBondContact O-N 2.65Å; G90-Y292 VanDerWaalsContact O-N 3.15Å; D92-Y292 HydrophobicContact CB-CD2 4.35Å; D92-Y292 HydrophobicContact CB-CE2 3.35Å; Y263-Y292 WeakPolarHBondContact CD1-OH 3.34Å; Y263-Y292 HydrophobicContact CE1-CE1 4.36Å; Y263-Y292 AromaticContact CE1-CZ 3.92Å; Y263-Y292 WeakPolarHBondContact CE1-OH 3.4Å
293Y78.3Confident79Confident44 Ų4455.8 Ų55.817%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-137.8152.8174.5-53-99.8000109.9L73 A75 L78 Q85 M86 M87 P291L73-Y293 PolarHBondContact N-O 3.42Å; L73-Y293 PolarHBondContact O-N 3.43Å; A75-Y293 HydrophobicContact CB-CD2 4.23Å; A75-Y293 HydrophobicContact CB-CE2 3.7Å; L78-Y293 VanDerWaalsContact CD1-CB 3.5Å; L78-Y293 HydrophobicContact CD1-CD2 4.41Å; L78-Y293 HydrophobicContact CD1-CG 4.37Å; L78-Y293 WeakPolarHBondContact CD1-O 3.1Å; Q85-Y293 HydrophobicContact CB-CD1 3.69Å; Q85-Y293 HydrophobicContact CB-CE1 4.41Å; Q85-Y293 HydrophobicContact CB-CG 3.94Å; Q85-Y293 HydrophobicContact CG-CD1 4.43Å; Q85-Y293 HydrophobicContact CG-CG 4.26Å; M86-Y293 CarbonylContact O-C 3.54Å; M86-Y293 WeakPolarHBondContact O-CA 3.47Å; M86-Y293 WeakPolarHBondContact O-CB 3.32Å; M87-Y293 HydrophobicContact CB-CD1 3.96Å; M87-Y293 HydrophobicContact CB-CE1 3.9Å; M87-Y293 HydrophobicContact CG-CD1 4.37Å; M87-Y293 HydrophobicContact CG-CE1 4.01Å; P291-Y293 HydrophobicContact CB-CE2 3.71Å; P291-Y293 HydrophobicContact CG-CE2 3.67Å; P291-Y293 WeakPolarHBondContact CG-OH 3.49Å
294Y85.1Confident79.1Confident0 Ų062.5 Ų62.50%030%0.296CS..EExtended strand (participates in β ladder)trans-82.5140.8161.5-60.7-67.6000109.5E31 Y34 M35 S69 M86 F88E31-Y294 WeakPolarHBondContact OE2-CE1 3.18Å; E31-Y294 PolarHBondContact OE2-OH 3.48Å; Y34-Y294 AromaticContact CD1-CE2 3.77Å; Y34-Y294 HydrophobicContact CD1-CE2 3.77Å; Y34-Y294 AromaticContact CD1-CZ 3.97Å; Y34-Y294 HydrophobicContact CE1-CD2 4.33Å; Y34-Y294 AromaticContact CE1-CE2 3.45Å; Y34-Y294 HydrophobicContact CE1-CE2 3.45Å; Y34-Y294 VanDerWaalsContact CE1-CE2 3.45Å; M35-Y294 HydrophobicContact CE-CD1 4.12Å; M35-Y294 HydrophobicContact CE-CD2 4.46Å; M35-Y294 HydrophobicContact CE-CE1 4.16Å; M35-Y294 HydrophobicContact CE-CG 4.24Å; S69-Y294 WeakPolarHBondContact O-CD1 3.32Å; M86-Y294 PolarHBondContact N-O 2.96Å; M86-Y294 PolarHBondContact O-N 2.96Å; M86-Y294 HydrophobicContact SD-CD2 4.12Å; F88-Y294 HydrophobicContact CB-CD2 4.19Å; F88-Y294 HydrophobicContact CB-CE2 3.77Å; F88-Y294 AromaticContact CD2-CE2 3.56Å; F88-Y294 HydrophobicContact CD2-CE2 3.56Å; F88-Y294 AromaticContact CD2-CZ 3.76Å; F88-Y294 VanDerWaalsContact CD2-OH 3.32Å; F88-Y294 WeakPolarHBondContact CD2-OH 3.19Å; F88-Y294 HydrophobicContact CE2-CE2 4.48Å; F88-Y294 WeakPolarHBondContact CE2-OH 3.48Å; F88-Y294 HydrophobicContact CG-CE2 4.01Å
295C87.6Confident79.3Confident0 Ų066.9 Ų66.90%032%0.317CS..EExtended strand (participates in β ladder)trans-79.6122.4168.5179.40000108.2L58 V61 V68 S69 L78 C83L58-C295 HydrophobicContact CD2-CB 3.91Å; V61-C295 HydrophobicContact CG1-CB 4.39Å; V61-C295 VanDerWaalsContact CG1-SG 3.55Å; V68-C295 CarbonylContact C-O 3.5Å; V68-C295 WeakPolarHBondContact CA-O 3.4Å; S69-C295 PolarHBondContact N-O 2.87Å; S69-C295 PolarHBondContact OG-N 3.07Å; L78-C295 HydrophobicContact CD2-CB 3.71Å; C83-C295 HydrophobicContact CB-CB 4Å; C83-C295 WeakPolarHBondContact CB-SG 3.31Å; C83-C295 VanDerWaalsContact SG-C 3.54Å; C83-C295 WeakPolarHBondContact SG-CA 3.5Å; C83-C295 WeakPolarHBondContact SG-CB 2.77Å; C83-C295 CovalentContact SG-SG 2.01Å; C83-C295 PolarHBondContact SG-SG 3.16Å
296V88.7Confident79.6Confident1 Ų161.1 Ų61.11%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-116.7138.7179.2-170.60000109.1V68 C83 T84 M86 R298 F300 L303 L306V68-V296 HydrophobicContact CG2-CG2 4.04Å; C83-V296 PolarHBondContact SG-N 3.17Å; C83-V296 VanDerWaalsContact SG-N 3.37Å; T84-V296 WeakPolarHBondContact CB-O 3.38Å; T84-V296 PolarHBondContact O-N 3.12Å; M86-V296 HydrophobicContact CB-CG2 3.58Å; V296-R298 PolarHBondContact O-N 3.28Å; V296-F300 HydrophobicContact CG1-CB 4.21Å; V296-F300 HydrophobicContact CG1-CD1 4.37Å; V296-L303 HydrophobicContact CB-CD1 4.04Å; V296-L303 HydrophobicContact CG1-CD1 3.64Å; V296-L306 HydrophobicContact CB-CD2 4.27Å; V296-L306 HydrophobicContact CG1-CD2 3.64Å; V296-L306 HydrophobicContact CG2-CD2 3.55Å
297N88.8Confident79.7Confident15 Ų1561 Ų618%0.0828%0.279CS..  trans-61.1129.4172.7179.6-10.6000110.2V61 G64 D67 N299 F300V61-N297 HydrophobicContact CG1-CB 4.28Å; G64-N297 WeakPolarHBondContact CA-ND2 3.41Å; D67-N297 PolarHBondContact O-N 2.83Å; N297-N299 PolarHBondContact O-N 2.89Å; N297-N299 VanDerWaalsContact O-N 3.11Å; N297-N299 PolarHBondContact OD1-N 2.99Å; N297-F300 WeakPolarHBondContact O-CB 3.44Å; N297-F300 PolarHBondContact O-N 3.14Å; N297-F300 VanDerWaalsContact O-N 3.07Å
298R85.7Confident79.9Confident139 Ų13963.4 Ų63.453%0.52530%0.301SS..THydrogen-bonded Turntrans-58.4-26.3180-54.4-161.3167.8-178.6-7.4113.5N82 T84 V296N82-R298 VanDerWaalsContact O-CZ 3.29Å; N82-R298 PolarHBondContact O-NE 2.87Å; N82-R298 PolarHBondContact O-NH2 2.89Å; N82-R298 PolarHBondContact OD1-NH2 3.02Å; T84-R298 WeakPolarHBondContact OG1-CG 2.97Å; V296-R298 PolarHBondContact O-N 3.28Å
299N85.5Confident80.5Confident133 Ų13355.5 Ų55.571%0.71127%0.273SS*.THydrogen-bonded Turntrans-95.19.2-177.9-60.7-35.2000113.2N297 D301N297-N299 PolarHBondContact O-N 2.89Å; N297-N299 VanDerWaalsContact O-N 3.11Å; N297-N299 PolarHBondContact OD1-N 2.99Å; N299-D301 PolarHBondContact O-N 3.44Å
300F86.7Confident80.5Confident17 Ų1753.8 Ų53.88%0.07526%0.259CS..  trans-69.3120.3177.6-176.4-118.1000111L4 L42 Y44 D67 V296 N297 Q302 L303 L306L4-F300 HydrophobicContact CD1-CE1 4.42Å; L4-F300 HydrophobicContact CD1-CE2 3.88Å; L4-F300 HydrophobicContact CD1-CZ 3.65Å; L42-F300 HydrophobicContact CD1-CE1 4.49Å; Y44-F300 HydrophobicContact CE1-CE2 4.31Å; Y44-F300 HydrophobicContact CE1-CZ 4.33Å; D67-F300 HydrophobicContact CB-CD2 3.82Å; D67-F300 HydrophobicContact CB-CE2 4.05Å; V296-F300 HydrophobicContact CG1-CB 4.21Å; V296-F300 HydrophobicContact CG1-CD1 4.37Å; N297-F300 WeakPolarHBondContact O-CB 3.44Å; N297-F300 PolarHBondContact O-N 3.14Å; N297-F300 VanDerWaalsContact O-N 3.07Å; F300-Q302 HydrophobicContact CD1-CB 4.29Å; F300-Q302 HydrophobicContact CE1-CB 3.67Å; F300-Q302 HydrophobicContact CZ-CB 4.08Å; F300-Q302 PolarHBondContact O-N 3.28Å; F300-Q302 VanDerWaalsContact O-N 3.08Å; F300-L303 VanDerWaalsContact O-CB 3.23Å; F300-L303 WeakPolarHBondContact O-CB 3.47Å; F300-L303 PolarHBondContact O-N 3.32Å; F300-L306 HydrophobicContact CD1-CD2 4.42Å; F300-L306 HydrophobicContact CE1-CB 4.42Å; F300-L306 HydrophobicContact CE1-CD2 4.46Å
301D82.9Confident80.6Confident150 Ų15060.6 Ų60.680%0.80229%0.291SS*.THydrogen-bonded Turntrans-58.9-28.5-170.6-71.6-28.2000114N299N299-D301 PolarHBondContact O-N 3.44Å
302Q83.5Confident80.8Confident64 Ų6460.7 Ų60.730%0.29929%0.292SS..THydrogen-bonded Turntrans-102.818180-63.6-62.7-23.200113.4L42 Y44 F300 R304 M305 L306L42-Q302 HydrophobicContact CD2-CB 4.44Å; Y44-Q302 HydrophobicContact CE2-CG 4.25Å; Y44-Q302 WeakPolarHBondContact OH-CG 3.42Å; F300-Q302 HydrophobicContact CD1-CB 4.29Å; F300-Q302 HydrophobicContact CE1-CB 3.67Å; F300-Q302 HydrophobicContact CZ-CB 4.08Å; F300-Q302 PolarHBondContact O-N 3.28Å; F300-Q302 VanDerWaalsContact O-N 3.08Å; Q302-R304 VanDerWaalsContact C-N 3.27Å; Q302-R304 PolarHBondContact O-N 3.05Å; Q302-R304 VanDerWaalsContact O-N 3.12Å; Q302-M305 HydrophobicContact CB-CB 4.37Å; Q302-M305 WeakPolarHBondContact O-CA 3.14Å; Q302-M305 WeakPolarHBondContact O-CB 3.4Å; Q302-M305 PolarHBondContact O-N 3.31Å; Q302-M305 VanDerWaalsContact OE1-CE 3.31Å; Q302-L306 PolarHBondContact O-N 2.86Å
303L82.1Confident80.4Confident31 Ų3164.8 Ų64.816%0.16232%0.323CS..Hα-helixtrans-49.3-44.4-175.5174.865.1000113.6T84 V296 F300 M305 L306 Q307T84-L303 HydrophobicContact CG2-CD1 3.64Å; T84-L303 HydrophobicContact CG2-CD2 3.89Å; T84-L303 HydrophobicContact CG2-CG 4.31Å; V296-L303 HydrophobicContact CB-CD1 4.04Å; V296-L303 HydrophobicContact CG1-CD1 3.64Å; F300-L303 VanDerWaalsContact O-CB 3.23Å; F300-L303 WeakPolarHBondContact O-CB 3.47Å; F300-L303 PolarHBondContact O-N 3.32Å; L303-M305 VanDerWaalsContact C-N 3.34Å; L303-M305 PolarHBondContact O-N 3.48Å; L303-L306 PolarHBondContact O-N 3.37Å; L303-Q307 HydrophobicContact CD1-CG 4.34Å; L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 WeakPolarHBondContact O-CG 3.27Å; L303-Q307 PolarHBondContact O-N 3.44Å
304R81.4Confident79.8Confident221 Ų22168.4 Ų68.483%0.83434%0.341SS*.Hα-helixtrans-65.9-36.9178.7-69.6-175.4179.6-177.20.4112.7Q302 A308Q302-R304 VanDerWaalsContact C-N 3.27Å; Q302-R304 PolarHBondContact O-N 3.05Å; Q302-R304 VanDerWaalsContact O-N 3.12Å; R304-A308 WeakPolarHBondContact O-CB 3.3Å; R304-A308 PolarHBondContact O-N 2.99Å
305M83.9Confident79.1Confident93 Ų9368.5 Ų68.546%0.45834%0.342SS..Hα-helixtrans-70.9-42.9178.3-167.7176-6500110.2L42 Q302 L303 Q307 A308 L309L42-M305 HydrophobicContact CD2-CB 4.13Å; L42-M305 HydrophobicContact CD2-CG 3.73Å; L42-M305 HydrophobicContact CD2-SD 3.68Å; Q302-M305 HydrophobicContact CB-CB 4.37Å; Q302-M305 WeakPolarHBondContact O-CA 3.14Å; Q302-M305 WeakPolarHBondContact O-CB 3.4Å; Q302-M305 PolarHBondContact O-N 3.31Å; Q302-M305 VanDerWaalsContact OE1-CE 3.31Å; L303-M305 VanDerWaalsContact C-N 3.34Å; L303-M305 PolarHBondContact O-N 3.48Å; M305-Q307 PolarHBondContact O-N 3.02Å; M305-A308 PolarHBondContact O-N 3.01Å; M305-A308 VanDerWaalsContact O-N 3.14Å; M305-L309 WeakPolarHBondContact O-CG 3.3Å; M305-L309 PolarHBondContact O-N 3.05Å
306L81.6Confident78Confident0 Ų075 Ų750%037%0.367CS..Hα-helixtrans-57.1-47173.8-171.182.9000111.6V38 L42 M86 V296 F300 Q302 L303 A308 L309 A310V38-L306 HydrophobicContact CG1-CD1 3.43Å; V38-L306 VanDerWaalsContact CG1-CD1 3.43Å; L42-L306 HydrophobicContact CD1-CD1 3.68Å; M86-L306 HydrophobicContact CB-CD2 4.38Å; M86-L306 HydrophobicContact CE-CD1 4.05Å; M86-L306 HydrophobicContact CE-CG 4Å; M86-L306 HydrophobicContact CG-CD2 4.37Å; M86-L306 HydrophobicContact CG-CG 4.29Å; M86-L306 HydrophobicContact SD-CD1 3.82Å; M86-L306 HydrophobicContact SD-CD2 3.62Å; M86-L306 HydrophobicContact SD-CG 3.44Å; M86-L306 WeakPolarHBondContact SD-CG 3.34Å; V296-L306 HydrophobicContact CB-CD2 4.27Å; V296-L306 HydrophobicContact CG1-CD2 3.64Å; V296-L306 HydrophobicContact CG2-CD2 3.55Å; F300-L306 HydrophobicContact CD1-CD2 4.42Å; F300-L306 HydrophobicContact CE1-CB 4.42Å; F300-L306 HydrophobicContact CE1-CD2 4.46Å; Q302-L306 PolarHBondContact O-N 2.86Å; L303-L306 PolarHBondContact O-N 3.37Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.82Å; L306-L309 PolarHBondContact O-N 3.37Å; L306-A310 PolarHBondContact O-N 3.35Å
307Q77.7Confident76.9Confident73 Ų7378.2 Ų78.234%0.34139%0.394SS..Hα-helixtrans-63.7-34.8175.4-74.2178.3-26.100113.1Q85 L303 M305Q85-Q307 PolarHBondContact O-NE2 3.36Å; L303-Q307 HydrophobicContact CD1-CG 4.34Å; L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 WeakPolarHBondContact O-CG 3.27Å; L303-Q307 PolarHBondContact O-N 3.44Å; M305-Q307 PolarHBondContact O-N 3.02Å
308A77.7Confident76Confident60 Ų6079 Ų7950%0.49640%0.398SS..Hα-helixtrans-72.1-38.1175.400000112.3R304 M305 L306 A310 Q311R304-A308 WeakPolarHBondContact O-CB 3.3Å; R304-A308 PolarHBondContact O-N 2.99Å; M305-A308 PolarHBondContact O-N 3.01Å; M305-A308 VanDerWaalsContact O-N 3.14Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.82Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-Q311 PolarHBondContact O-N 3.16Å
309L78.5Confident75Confident30 Ų3074.3 Ų74.316%0.15738%0.381CS..Hα-helixtrans-64.1-38.7176.2-75.1175.8000111.7L41 L42 M305 L306 Q311 S312 L315L41-L309 HydrophobicContact CB-CD1 4Å; L41-L309 HydrophobicContact CB-CD2 4.3Å; L41-L309 HydrophobicContact CD1-CD2 4.31Å; L42-L309 HydrophobicContact CD2-CD1 3.47Å; L42-L309 VanDerWaalsContact CD2-CD1 3.47Å; L42-L309 HydrophobicContact CG-CD1 3.68Å; M305-L309 WeakPolarHBondContact O-CG 3.3Å; M305-L309 PolarHBondContact O-N 3.05Å; L306-L309 PolarHBondContact O-N 3.37Å; L309-Q311 PolarHBondContact O-N 2.92Å; L309-Q311 VanDerWaalsContact O-N 3.13Å; L309-S312 WeakPolarHBondContact O-CB 3.48Å; L309-S312 PolarHBondContact O-N 3.22Å; L309-S312 PolarHBondContact O-OG 2.87Å; L309-L315 HydrophobicContact CB-CD1 4.5Å; L309-L315 WeakPolarHBondContact O-CD1 3.31Å
310A69.3Low73.9Confident4 Ų472.4 Ų72.43%0.03337%0.371CS..Hα-helixtrans-54.3-29.4173.900000113.4M86 M87 L306 A308M86-A310 HydrophobicContact CE-CB 3.82Å; M86-A310 HydrophobicContact CG-CB 3.77Å; M87-A310 WeakPolarHBondContact O-CB 3.41Å; L306-A310 PolarHBondContact O-N 3.35Å; A308-A310 VanDerWaalsContact C-N 3.34Å
311Q68Low73Confident157 Ų15777.6 Ų77.673%0.73439%0.39SS*.THydrogen-bonded Turntrans-90.52.9177.5-61.4-179.1-8.500113.3A308 L309A308-Q311 PolarHBondContact O-N 3.16Å; L309-Q311 PolarHBondContact O-N 2.92Å; L309-Q311 VanDerWaalsContact O-N 3.13Å
312S70.9Confident72.2Confident27 Ų2770.8 Ų70.819%0.18935%0.354CS..SBendtrans-81.8145.6-178.3780000112.2L309 Q314 L315L309-S312 WeakPolarHBondContact O-CB 3.48Å; L309-S312 PolarHBondContact O-N 3.22Å; L309-S312 PolarHBondContact O-OG 2.87Å; S312-Q314 PolarHBondContact O-N 3.38Å; S312-L315 PolarHBondContact O-N 3.31Å
313S65.5Low71Confident102 Ų10270.8 Ų70.871%0.71336%0.358SS*.Hα-helixtrans-66.5-17.1177.248.70000114.1L315 W316S313-L315 VanDerWaalsContact C-N 3.33Å; S313-W316 WeakPolarHBondContact O-CB 3.35Å; S313-W316 PolarHBondContact O-N 3.43Å
314Q65.6Low70.1Confident119 Ų11975.5 Ų75.556%0.55638%0.38SS*.Hα-helixtrans-68-35.3177.4-69.6179.5-1800111.9S312S312-Q314 PolarHBondContact O-N 3.38Å
315L69.7Low69.3Low3 Ų366.8 Ų66.82%0.01635%0.351CS..Hα-helixtrans-79.8-20.7178.6-65.6179.2000112.7Y34 V37 V38 L41 L309 S312 S313 A317 L318 K319Y34-L315 HydrophobicContact CD2-CD2 4.34Å; Y34-L315 HydrophobicContact CE2-CB 3.8Å; Y34-L315 HydrophobicContact CE2-CD1 4.25Å; Y34-L315 HydrophobicContact CE2-CD2 3.94Å; Y34-L315 HydrophobicContact CE2-CG 4.2Å; Y34-L315 WeakPolarHBondContact OH-CD1 3.37Å; V37-L315 HydrophobicContact CG1-CD2 4.04Å; V38-L315 HydrophobicContact CG2-CD1 4.04Å; V38-L315 HydrophobicContact CG2-CD2 4Å; L41-L315 HydrophobicContact CD1-CD2 4.37Å; L309-L315 HydrophobicContact CB-CD1 4.5Å; L309-L315 WeakPolarHBondContact O-CD1 3.31Å; S312-L315 PolarHBondContact O-N 3.31Å; S313-L315 VanDerWaalsContact C-N 3.33Å; L315-A317 PolarHBondContact O-N 3.34Å; L315-L318 HydrophobicContact CD2-CD1 4.13Å; L315-L318 PolarHBondContact O-N 2.74Å; L315-K319 PolarHBondContact O-N 3.16Å
316W64.4Low68.2Low135 Ų13563.1 Ų63.151%0.51133%0.333SS..Hα-helixtrans-61.2-42.5177.1-94.151.6000113.2D89 S313 L318 K319 D320D89-W316 VanDerWaalsContact OD2-CZ2 3.31Å; D89-W316 WeakPolarHBondContact OD2-CZ2 3.44Å; D89-W316 PolarHBondContact OD2-NE1 2.87Å; S313-W316 WeakPolarHBondContact O-CB 3.35Å; S313-W316 PolarHBondContact O-N 3.43Å; W316-L318 VanDerWaalsContact C-N 3.31Å; W316-L318 PolarHBondContact O-N 3.45Å; W316-K319 WeakPolarHBondContact O-CB 3.48Å; W316-K319 PolarHBondContact O-N 2.99Å; W316-D320 PolarHBondContact O-N 3.4Å
317A66.5Low67Low70 Ų7064.1 Ų64.158%0.57934%0.341SS*.Hα-helixtrans-67.2-31.3-178.500000113.2L315 R321L315-A317 PolarHBondContact O-N 3.34Å; A317-R321 PolarHBondContact O-N 2.94Å
318L70.1Confident66.2Low30 Ų3065.4 Ų65.416%0.15735%0.35CS..Hα-helixtrans-68.4-39.3175.9-71.9165.2000111.2I33 Y34 V37 L315 W316 R321 T322I33-L318 HydrophobicContact CG2-CD2 4.3Å; Y34-L318 HydrophobicContact CD2-CB 4.46Å; V37-L318 HydrophobicContact CB-CD1 3.81Å; V37-L318 HydrophobicContact CG1-CD1 3.83Å; V37-L318 HydrophobicContact CG2-CD1 3.73Å; L315-L318 HydrophobicContact CD2-CD1 4.13Å; L315-L318 PolarHBondContact O-N 2.74Å; W316-L318 VanDerWaalsContact C-N 3.31Å; W316-L318 PolarHBondContact O-N 3.45Å; L318-R321 WeakPolarHBondContact O-CB 3.42Å; L318-R321 PolarHBondContact O-N 3.25Å; L318-T322 PolarHBondContact O-N 3.28Å; L318-T322 PolarHBondContact O-OG1 3.39Å
319K63.8Low65.4Low42 Ų4264.9 Ų64.918%0.18334%0.335CS..Hα-helixtrans-64.7-44.5179180-131.7177.9157.10112.6F88 D89 L315 W316 R321 T322 T323F88-K319 HydrophobicContact CZ-CG 4.44Å; D89-K319 VanDerWaalsContact C-NZ 3.33Å; D89-K319 WeakPolarHBondContact O-CD 3.44Å; D89-K319 WeakPolarHBondContact O-CE 3.23Å; D89-K319 PolarHBondContact O-NZ 2.9Å; D89-K319 IonicContact OD1-NZ 3.09Å; L315-K319 PolarHBondContact O-N 3.16Å; W316-K319 WeakPolarHBondContact O-CB 3.48Å; W316-K319 PolarHBondContact O-N 2.99Å; K319-R321 PolarHBondContact O-N 2.73Å; K319-T322 WeakPolarHBondContact O-CB 3.37Å; K319-T322 PolarHBondContact O-N 2.99Å; K319-T322 VanDerWaalsContact O-N 3.08Å; K319-T323 PolarHBondContact O-N 3.42Å; K319-T323 VanDerWaalsContact O-N 3.17Å; K319-T323 PolarHBondContact O-OG1 3.31Å
320D62.9Low64.1Low93 Ų9364.2 Ų64.250%0.49733%0.331SS..Hα-helixtrans-60.2-38175.1-81.3-7.9000111.6W316 Q324W316-D320 PolarHBondContact O-N 3.4Å; D320-Q324 WeakPolarHBondContact O-CG 3.33Å; D320-Q324 PolarHBondContact O-N 3.13Å
321R67.4Low63.3Low126 Ų12666.4 Ų66.448%0.47534%0.344SS..Hα-helixtrans-63.7-44.2172.8177.5-173.9169.6-167.7-3.4111.1E30 A317 L318 K319 T323 Q324 T325E30-R321 IonicContact OE1-NE 3.94Å; A317-R321 PolarHBondContact O-N 2.94Å; L318-R321 WeakPolarHBondContact O-CB 3.42Å; L318-R321 PolarHBondContact O-N 3.25Å; K319-R321 PolarHBondContact O-N 2.73Å; R321-T323 VanDerWaalsContact C-N 3.31Å; R321-T323 PolarHBondContact O-N 2.9Å; R321-Q324 CarbonylContact O-C 3.54Å; R321-Q324 WeakPolarHBondContact O-CA 3.34Å; R321-Q324 WeakPolarHBondContact O-CB 3.37Å; R321-Q324 PolarHBondContact O-N 3.27Å; R321-T325 PolarHBondContact O-N 2.99Å; R321-T325 PolarHBondContact O-OG1 2.89Å
322T65.1Low62.4Low6 Ų665.4 Ų65.44%0.03734%0.344CS..Hα-helixtrans-55.6-44.4178.4-57.10000112.1L14 E30 L318 K319 Q324 T325 M326L14-T322 HydrophobicContact CD2-CG2 4.28Å; E30-T322 HydrophobicContact CB-CG2 3.47Å; E30-T322 VanDerWaalsContact CB-CG2 3.47Å; E30-T322 HydrophobicContact CG-CG2 3.9Å; E30-T322 WeakPolarHBondContact OE2-CA 3.28Å; E30-T322 PolarHBondContact OE2-OG1 3.3Å; L318-T322 PolarHBondContact O-N 3.28Å; L318-T322 PolarHBondContact O-OG1 3.39Å; K319-T322 WeakPolarHBondContact O-CB 3.37Å; K319-T322 PolarHBondContact O-N 2.99Å; K319-T322 VanDerWaalsContact O-N 3.08Å; T322-Q324 VanDerWaalsContact C-N 3.33Å; T322-Q324 PolarHBondContact O-N 3.46Å; T322-T325 PolarHBondContact O-N 2.92Å; T322-M326 HydrophobicContact CG2-SD 4.31Å; T322-M326 WeakPolarHBondContact O-CB 3.47Å; T322-M326 VanDerWaalsContact O-CG 3.28Å; T322-M326 WeakPolarHBondContact O-CG 3.43Å; T322-M326 PolarHBondContact O-N 2.79Å
323T59.6Low61.2Low64 Ų6469.2 Ų69.239%0.39336%0.359SS..Hα-helixtrans-62.5-39.1175.8-53.10000112.3K319 R321 A327K319-T323 PolarHBondContact O-N 3.42Å; K319-T323 VanDerWaalsContact O-N 3.17Å; K319-T323 PolarHBondContact O-OG1 3.31Å; R321-T323 VanDerWaalsContact C-N 3.31Å; R321-T323 PolarHBondContact O-N 2.9Å; T323-A327 PolarHBondContact O-N 2.9Å; T323-A327 VanDerWaalsContact O-N 3.14Å
324Q62.2Low59.9Low131 Ų13166.1 Ų66.161%0.61234%0.342SS*.Hα-helixtrans-70.1-43175.8-67.8177.28.700112.4D320 R321 T322 M326 A327 L328D320-Q324 WeakPolarHBondContact O-CG 3.33Å; D320-Q324 PolarHBondContact O-N 3.13Å; R321-Q324 CarbonylContact O-C 3.54Å; R321-Q324 WeakPolarHBondContact O-CA 3.34Å; R321-Q324 WeakPolarHBondContact O-CB 3.37Å; R321-Q324 PolarHBondContact O-N 3.27Å; T322-Q324 VanDerWaalsContact C-N 3.33Å; T322-Q324 PolarHBondContact O-N 3.46Å; Q324-M326 VanDerWaalsContact C-N 3.32Å; Q324-M326 PolarHBondContact O-N 3.27Å; Q324-A327 WeakPolarHBondContact O-CB 3.4Å; Q324-A327 PolarHBondContact O-N 3.46Å; Q324-L328 WeakPolarHBondContact O-CG 3.38Å; Q324-L328 PolarHBondContact O-N 3.43Å
325T65.1Low58.6Low38 Ų3866.5 Ų66.523%0.23334%0.344CS..Hα-helixtrans-62.7-41.1176.5-55.90000110.4E30 R321 T322 L328 Y329E30-T325 HydrophobicContact CG-CG2 4.06Å; E30-T325 VanDerWaalsContact OE1-CB 3.27Å; E30-T325 WeakPolarHBondContact OE1-CB 3.25Å; E30-T325 VanDerWaalsContact OE1-CG2 3.31Å; E30-T325 WeakPolarHBondContact OE1-CG2 3.46Å; E30-T325 PolarHBondContact OE1-OG1 2.92Å; R321-T325 PolarHBondContact O-N 2.99Å; R321-T325 PolarHBondContact O-OG1 2.89Å; T322-T325 PolarHBondContact O-N 2.92Å; T325-L328 PolarHBondContact O-N 3.42Å; T325-Y329 VanDerWaalsContact O-CB 3.23Å; T325-Y329 WeakPolarHBondContact O-CB 3.47Å; T325-Y329 PolarHBondContact O-N 3.29Å
326M61.7Low56.8Low16 Ų1671.6 Ų71.68%0.07938%0.376CS..Hα-helixtrans-56.5-52.2172.9-79.2174.7150.300111.1P13 L14 A265 M266 T322 Q324 L328 Y329 F330P13-M326 HydrophobicContact CG-CG 3.84Å; L14-M326 HydrophobicContact CD1-CE 3.92Å; L14-M326 HydrophobicContact CD2-CE 3.25Å; L14-M326 HydrophobicContact CG-CE 3.53Å; A265-M326 HydrophobicContact CB-SD 3.85Å; M266-M326 HydrophobicContact CE-CB 3.87Å; M266-M326 HydrophobicContact CE-CE 3.83Å; M266-M326 HydrophobicContact CE-CG 3.88Å; M266-M326 HydrophobicContact CE-SD 3.55Å; M266-M326 VanDerWaalsContact CE-SD 3.55Å; T322-M326 HydrophobicContact CG2-SD 4.31Å; T322-M326 WeakPolarHBondContact O-CB 3.47Å; T322-M326 VanDerWaalsContact O-CG 3.28Å; T322-M326 WeakPolarHBondContact O-CG 3.43Å; T322-M326 PolarHBondContact O-N 2.79Å; Q324-M326 VanDerWaalsContact C-N 3.32Å; Q324-M326 PolarHBondContact O-N 3.27Å; M326-L328 PolarHBondContact O-N 2.97Å; M326-Y329 PolarHBondContact O-N 3.22Å; M326-F330 WeakPolarHBondContact O-CD2 3.43Å; M326-F330 PolarHBondContact O-N 3.42Å; M326-F330 VanDerWaalsContact O-N 3.13Å
327A56Low55.3Low20 Ų2072.2 Ų72.217%0.16539%0.388CS..Hα-helixtrans-54.6-43177.100000112.1P268 T323 Q324 T331P268-A327 HydrophobicContact CB-CB 3.6Å; P268-A327 HydrophobicContact CG-CB 3.9Å; T323-A327 PolarHBondContact O-N 2.9Å; T323-A327 VanDerWaalsContact O-N 3.14Å; Q324-A327 WeakPolarHBondContact O-CB 3.4Å; Q324-A327 PolarHBondContact O-N 3.46Å; A327-T331 VanDerWaalsContact O-CG2 3.26Å; A327-T331 WeakPolarHBondContact O-CG2 3.38Å; A327-T331 PolarHBondContact O-N 2.83Å; A327-T331 PolarHBondContact O-OG1 2.89Å
328L61Low53.8Low101 Ų10174.5 Ų74.553%0.52939%0.391SS..Hα-helixtrans-72.5-42.8180-72.1169.7000113.5Q324 T325 M326 F330 T331 D332Q324-L328 WeakPolarHBondContact O-CG 3.38Å; Q324-L328 PolarHBondContact O-N 3.43Å; T325-L328 PolarHBondContact O-N 3.42Å; M326-L328 PolarHBondContact O-N 2.97Å; L328-F330 VanDerWaalsContact C-N 3.3Å; L328-F330 PolarHBondContact O-N 3.06Å; L328-T331 VanDerWaalsContact CA-OG1 3.27Å; L328-T331 WeakPolarHBondContact CA-OG1 3.42Å; L328-T331 PolarHBondContact O-N 2.97Å; L328-T331 VanDerWaalsContact O-N 3.09Å; L328-T331 PolarHBondContact O-OG1 2.74Å; L328-D332 WeakPolarHBondContact O-CB 3.45Å; L328-D332 PolarHBondContact O-N 2.97Å
329Y59.4Low52.2Low48 Ų4881.2 Ų81.219%0.18843%0.427CS..Hα-helixtrans-59.1-45.2-179.9-178.4-91.2000110.4P12 P13 T325 M326 T331 D332 E333P12-Y329 HydrophobicContact CB-CE1 4.17Å; P12-Y329 WeakPolarHBondContact CB-OH 3.37Å; P13-Y329 HydrophobicContact CB-CD1 3.74Å; P13-Y329 HydrophobicContact CB-CD2 3.72Å; P13-Y329 HydrophobicContact CB-CE1 4.12Å; P13-Y329 HydrophobicContact CB-CE2 4.07Å; P13-Y329 HydrophobicContact CB-CG 3.53Å; P13-Y329 HydrophobicContact CG-CD1 3.93Å; P13-Y329 HydrophobicContact CG-CG 4Å; T325-Y329 VanDerWaalsContact O-CB 3.23Å; T325-Y329 WeakPolarHBondContact O-CB 3.47Å; T325-Y329 PolarHBondContact O-N 3.29Å; M326-Y329 PolarHBondContact O-N 3.22Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 3.29Å; Y329-D332 PolarHBondContact O-N 3.47Å; Y329-E333 HydrophobicContact CD1-CG 4.42Å; Y329-E333 HydrophobicContact CD2-CG 4.43Å; Y329-E333 HydrophobicContact CE1-CG 4.09Å; Y329-E333 WeakPolarHBondContact CE1-OE2 3.4Å; Y329-E333 HydrophobicContact CE2-CG 4.14Å; Y329-E333 VanDerWaalsContact CZ-OE1 3.31Å; Y329-E333 VanDerWaalsContact O-CB 3.3Å; Y329-E333 WeakPolarHBondContact O-CB 3.42Å; Y329-E333 PolarHBondContact O-N 3.02Å; Y329-E333 PolarHBondContact OH-OE1 3.35Å; Y329-E333 PolarHBondContact OH-OE2 3.4Å
330F51.7Low50.8Low16 Ų1686 Ų867%0.0745%0.45CS..Hα-helixtrans-73.9-23.3178.3-69.7-65.7000113P13 R244 M266 Y269 M326 L328P13-F330 HydrophobicContact CG-CE2 4.02Å; P13-F330 HydrophobicContact CG-CZ 4.42Å; R244-F330 VanDerWaalsContact NH1-CZ 3.33Å; M266-F330 HydrophobicContact CE-CD2 4.14Å; M266-F330 HydrophobicContact CE-CE2 3.62Å; M266-F330 HydrophobicContact SD-CD2 3.2Å; M266-F330 WeakPolarHBondContact SD-CD2 3.34Å; M266-F330 HydrophobicContact SD-CE2 3.04Å; M266-F330 WeakPolarHBondContact SD-CE2 3.29Å; M266-F330 HydrophobicContact SD-CG 4.17Å; M266-F330 HydrophobicContact SD-CZ 3.85Å; Y269-F330 HydrophobicContact CD1-CB 4.47Å; Y269-F330 VanDerWaalsContact CD2-C 3.5Å; Y269-F330 HydrophobicContact CD2-CB 3.44Å; Y269-F330 VanDerWaalsContact CD2-CB 3.44Å; Y269-F330 WeakPolarHBondContact CD2-O 3.45Å; Y269-F330 HydrophobicContact CE2-CB 4.13Å; Y269-F330 WeakPolarHBondContact CE2-O 3.49Å; Y269-F330 HydrophobicContact CG-CB 3.61Å; Y269-F330 HydrophobicContact CG-CG 4.44Å; M326-F330 WeakPolarHBondContact O-CD2 3.43Å; M326-F330 PolarHBondContact O-N 3.42Å; M326-F330 VanDerWaalsContact O-N 3.13Å; L328-F330 VanDerWaalsContact C-N 3.3Å; L328-F330 PolarHBondContact O-N 3.06Å
331T52.6Low49.3Very low51 Ų5187.5 Ų87.531%0.31347%0.465SS..Hα-helixtrans-77.1-38171.352.80000113.3L272 A327 L328 Y329 G334L272-T331 HydrophobicContact CD1-CG2 3.25Å; A327-T331 VanDerWaalsContact O-CG2 3.26Å; A327-T331 WeakPolarHBondContact O-CG2 3.38Å; A327-T331 PolarHBondContact O-N 2.83Å; A327-T331 PolarHBondContact O-OG1 2.89Å; L328-T331 VanDerWaalsContact CA-OG1 3.27Å; L328-T331 WeakPolarHBondContact CA-OG1 3.42Å; L328-T331 PolarHBondContact O-N 2.97Å; L328-T331 VanDerWaalsContact O-N 3.09Å; L328-T331 PolarHBondContact O-OG1 2.74Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 3.29Å; T331-G334 PolarHBondContact O-N 3.35Å
332D49.4Very low47.4Very low136 Ų13690.1 Ų90.173%0.72748%0.48SS*.Hα-helixtrans-84.8-32.8-176.9-77.4-11.7000112.4L328 Y329 G334L328-D332 WeakPolarHBondContact O-CB 3.45Å; L328-D332 PolarHBondContact O-N 2.97Å; Y329-D332 PolarHBondContact O-N 3.47Å; D332-G334 PolarHBondContact O-N 3.19Å
333E46Very low46Very low107 Ų10799.2 Ų99.250%0.552%0.518SS..THydrogen-bonded Turntrans-81.720.9165.2-64.4-152.5159.500112.8Y329 E335Y329-E333 HydrophobicContact CD1-CG 4.42Å; Y329-E333 HydrophobicContact CD2-CG 4.43Å; Y329-E333 HydrophobicContact CE1-CG 4.09Å; Y329-E333 WeakPolarHBondContact CE1-OE2 3.4Å; Y329-E333 HydrophobicContact CE2-CG 4.14Å; Y329-E333 VanDerWaalsContact CZ-OE1 3.31Å; Y329-E333 VanDerWaalsContact O-CB 3.3Å; Y329-E333 WeakPolarHBondContact O-CB 3.42Å; Y329-E333 PolarHBondContact O-N 3.02Å; Y329-E333 PolarHBondContact OH-OE1 3.35Å; Y329-E333 PolarHBondContact OH-OE2 3.4Å; E333-E335 PolarHBondContact O-N 2.92Å
334G38.1Very low44.7Very low36 Ų36101.6 Ų101.637%0.37153%0.533SS..SBendtrans-59.779.1150.900000108.4T331 D332 T336T331-G334 PolarHBondContact O-N 3.35Å; D332-G334 PolarHBondContact O-N 3.19Å; G334-T336 PolarHBondContact O-N 3.47Å; G334-T336 VanDerWaalsContact O-N 3.1Å
335E38.5Very low43.3Very low127 Ų127102 Ų10259%0.59354%0.539SS*.  trans-25.9112.9176.7-69.6173.5146.200108.5E333 L337E333-E335 PolarHBondContact O-N 2.92Å; E335-L337 PolarHBondContact O-N 3.28Å
336T31.6Very low41.8Very low110 Ų110108.3 Ų108.368%0.67557%0.566SS**  trans-2.6114.9173.643.40000113.6G334 D338G334-T336 PolarHBondContact O-N 3.47Å; G334-T336 VanDerWaalsContact O-N 3.1Å; T336-D338 PolarHBondContact O-N 3.3Å
337L32.4Very low40.2Very low148 Ų148115.4 Ų115.478%0.77560%0.604SS**THydrogen-bonded Turntrans-43.28.6165.5-91.1136000116.7E335E335-L337 PolarHBondContact O-N 3.28Å
338D35.1Very low39.2Very low119 Ų119120.4 Ų120.464%0.63663%0.633SS**THydrogen-bonded Turntrans-82.9-16-176-80.6-34.2000114.8T336T336-D338 PolarHBondContact O-N 3.3Å
339D36.7Very low37.7Very low170 Ų170120.5 Ų120.591%0.90965%0.648SS**SBendtrans-100.84.2174.7-86.8-20.9000114.4
340Q34.2Very low36.4Very low143 Ų143122.4 Ų122.467%0.66867%0.669SS**SBendtrans-94.8137.8165.5-66.8-159.31.700110K342Q340-K342 PolarHBondContact O-N 2.96Å
341P30.8Very low35.4Very low124 Ų124125.4 Ų125.481%0.80570%0.704SS**  trans-56.5114.4178.222.5-30.8000108.9K343P341-K343 VanDerWaalsContact C-N 3.33Å; P341-K343 PolarHBondContact O-N 2.93Å
342K28.7Very low34.3Very low182 Ų182131.8 Ų131.879%0.79173%0.73SS**  trans-46.595.8170.9-86.5176.6175.4167.10109.8Q340Q340-K342 PolarHBondContact O-N 2.96Å
343K36.1Very low33.7Very low196 Ų196130.1 Ų130.185%0.85273%0.73SS**  trans-109.995.5148.1-94.4-175.1173.7-179.20106.7P341 D345P341-K343 VanDerWaalsContact C-N 3.33Å; P341-K343 PolarHBondContact O-N 2.93Å; K343-D345 PolarHBondContact O-N 2.86Å
344T31Very low33.2Very low115 Ų115129.9 Ų129.971%0.70674%0.74SS**  trans-36117142.841.30000109.4
345D33.6Very low33.3Very low138 Ų138133 Ų13374%0.73875%0.746SS**  176.5122.3114.1-81.2-22000111K343K343-D345 PolarHBondContact O-N 2.86Å
346E33.6Very low33.5Very low171 Ų171131.9 Ų131.980%0.79975%0.748SS**  trans68.5119.9142-59.2-173.1163.600120.6V348E346-V348 PolarHBondContact O-N 3.29Å; E346-V348 VanDerWaalsContact O-N 3.16Å
347D27.9Very low34.3Very low165 Ų165130.4 Ų130.488%0.88274%0.735SS**  trans-31107.7157.8-64.3-48.5000113.6
348V35.7Very low35.4Very low125 Ų125128.5 Ų128.576%0.75873%0.726SS**  trans-121.163.2160-164.30000109.2E346E346-V348 PolarHBondContact O-N 3.29Å; E346-V348 VanDerWaalsContact O-N 3.16Å
349A29.1Very low36.4Very low103 Ų103129 Ų12985%0.85173%0.727SS**  trans-96.474.1144.700000107.4
350S31.1Very low37.4Very low89 Ų89124.3 Ų124.362%0.62271%0.712SS**SBendtrans-156.4136.8164.658.70000110.2E352S350-E352 PolarHBondContact O-N 2.9Å
351G31.4Very low38.4Very low79 Ų79119.5 Ų119.581%0.81469%0.69SS**SBendtrans-65.1115.3-179.800000111
352E29.9Very low39.9Very low184 Ų184116.8 Ų116.886%0.8667%0.668SS**  trans176.791.3149.8-101.9174-169.300105.7S350 S354S350-E352 PolarHBondContact O-N 2.9Å; E352-S354 PolarHBondContact O-N 2.9Å
353S36.1Very low41.7Very low102 Ų102110.5 Ų110.571%0.71365%0.647SS**  trans-68.496.3173.860.10000108.7M355S353-M355 PolarHBondContact O-N 2.93Å; S353-M355 VanDerWaalsContact O-N 3.14Å
354S35.6Very low43Very low102 Ų102102.5 Ų102.571%0.71361%0.614SS**  trans-62.7114.3167.862.40000108.6E352 T356E352-S354 PolarHBondContact O-N 2.9Å; S354-T356 PolarHBondContact O-N 3.39Å
355M39.3Very low44.8Very low102 Ų10299.3 Ų99.350%0.50260%0.595SS.*  trans-58.5112.4176-177.3-170.5-164.100110.3A173 S353 I357A173-M355 HydrophobicContact CB-CE 4.32Å; S353-M355 PolarHBondContact O-N 2.93Å; S353-M355 VanDerWaalsContact O-N 3.14Å; M355-I357 HydrophobicContact CE-CD1 3.68Å; M355-I357 HydrophobicContact CE-CG1 3.7Å; M355-I357 HydrophobicContact CG-CG1 4.24Å; M355-I357 HydrophobicContact SD-CD1 4.39Å; M355-I357 HydrophobicContact SD-CG1 4.35Å
356T43.5Very low46.7Very low103 Ų10398.4 Ų98.463%0.63259%0.585SS**  trans-106108162.540.50000108.5N177 S354N177-T356 PolarHBondContact ND2-O 3.36Å; S354-T356 PolarHBondContact O-N 3.39Å
357I49.3Very low48.7Very low78 Ų7896.3 Ų96.340%0.458%0.575SS.*  trans-74.3122.4167.5-62.6172.8000106.4M355 Q361 L362M355-I357 HydrophobicContact CE-CD1 3.68Å; M355-I357 HydrophobicContact CE-CG1 3.7Å; M355-I357 HydrophobicContact CG-CG1 4.24Å; M355-I357 HydrophobicContact SD-CD1 4.39Å; M355-I357 HydrophobicContact SD-CG1 4.35Å; I357-Q361 HydrophobicContact CG2-CB 4.14Å; I357-L362 HydrophobicContact CG2-CD1 3.95Å; I357-L362 HydrophobicContact CG2-CG 4.01Å
358N54.9Low50.9Low109 Ų10992.9 Ų92.958%0.58356%0.56SS**  trans-73.9139.3177.6-162.6-9.2000109.2A360 Q361N358-A360 PolarHBondContact O-N 3.45Å; N358-Q361 HydrophobicContact CB-CG 4.36Å; N358-Q361 VanDerWaalsContact N-OE1 3.14Å; N358-Q361 VanDerWaalsContact O-CB 3.29Å; N358-Q361 WeakPolarHBondContact O-CB 3.3Å; N358-Q361 PolarHBondContact O-N 3.49Å
359L56.5Low53Low129 Ų12992.6 Ų92.668%0.67555%0.554SS**G310 helixtrans-55.4-31.9-177.5-161.385.4000111.9Q361 L362 S363L359-Q361 PolarHBondContact O-N 3.24Å; L359-L362 PolarHBondContact O-N 2.91Å; L359-S363 PolarHBondContact O-N 3.35Å; L359-S363 VanDerWaalsContact O-N 3.12Å
360A56.6Low55.4Low71 Ų7195.8 Ų95.859%0.58754%0.544SS*.G310 helixtrans-56.8-34.7173.900000113.1N358 L362 S363N358-A360 PolarHBondContact O-N 3.45Å; A360-L362 PolarHBondContact O-N 2.92Å; A360-S363 WeakPolarHBondContact O-CB 3.37Å; A360-S363 PolarHBondContact O-N 2.84Å
361Q55.9Low57.7Low42 Ų4293.7 Ų93.720%0.19653%0.532CS..G310 helixtrans-69.4-18.4178.4-63.7173.7-30.500112.9F106 I357 N358 L359F106-Q361 HydrophobicContact CD1-CG 4.27Å; F106-Q361 HydrophobicContact CE1-CG 3.98Å; I357-Q361 HydrophobicContact CG2-CB 4.14Å; N358-Q361 HydrophobicContact CB-CG 4.36Å; N358-Q361 VanDerWaalsContact N-OE1 3.14Å; N358-Q361 VanDerWaalsContact O-CB 3.29Å; N358-Q361 WeakPolarHBondContact O-CB 3.3Å; N358-Q361 PolarHBondContact O-N 3.49Å; L359-Q361 PolarHBondContact O-N 3.24Å
362L61.9Low60.1Low67 Ų6793.4 Ų93.435%0.35152%0.516SS..G310 helixtrans-108.2-2.8178.4-69.2171.6000113I357 L359 A360 D364 C365 F366I357-L362 HydrophobicContact CG2-CD1 3.95Å; I357-L362 HydrophobicContact CG2-CG 4.01Å; L359-L362 PolarHBondContact O-N 2.91Å; A360-L362 PolarHBondContact O-N 2.92Å; L362-D364 VanDerWaalsContact C-N 3.32Å; L362-D364 PolarHBondContact O-N 2.62Å; L362-C365 WeakPolarHBondContact O-CB 3.41Å; L362-C365 PolarHBondContact O-N 3.4Å; L362-F366 HydrophobicContact CB-CD2 4.13Å; L362-F366 HydrophobicContact CB-CE2 3.77Å; L362-F366 WeakPolarHBondContact O-CD2 3.45Å; L362-F366 PolarHBondContact O-N 3.21Å; L362-F366 VanDerWaalsContact O-N 3.14Å
363S66.8Low62.6Low51 Ų5190.9 Ų90.936%0.35750%0.5SS..Hα-helixtrans-53.9-49.1-175.1-168.60000111.5L359 A360 C365 F366 E367L359-S363 PolarHBondContact O-N 3.35Å; L359-S363 VanDerWaalsContact O-N 3.12Å; A360-S363 WeakPolarHBondContact O-CB 3.37Å; A360-S363 PolarHBondContact O-N 2.84Å; S363-C365 VanDerWaalsContact C-N 3.29Å; S363-C365 PolarHBondContact O-N 2.94Å; S363-F366 WeakPolarHBondContact O-CA 3.4Å; S363-F366 WeakPolarHBondContact O-CB 3.32Å; S363-F366 PolarHBondContact O-N 3.4Å; S363-E367 PolarHBondContact O-N 3.24Å
364D64.2Low65Low28 Ų2888.8 Ų88.815%0.1548%0.483CS..Hα-helixtrans-59.3-38.5179.2-57.6-12.7000112.6G109 V111 L362 F366 E367 V368G109-D364 PolarHBondContact N-OD2 3.37Å; V111-D364 HydrophobicContact CG2-CB 4.12Å; L362-D364 VanDerWaalsContact C-N 3.32Å; L362-D364 PolarHBondContact O-N 2.62Å; D364-F366 VanDerWaalsContact C-N 3.29Å; D364-F366 PolarHBondContact O-N 3.21Å; D364-E367 PolarHBondContact O-N 2.99Å; D364-V368 WeakPolarHBondContact O-CG2 3.4Å; D364-V368 PolarHBondContact O-N 3.36Å
365C67.8Low67.4Low47 Ų4789 Ų8932%0.31848%0.475SS..Hα-helixtrans-64.8-36.9177.1-64.40000111.2L362 S363 L369L362-C365 WeakPolarHBondContact O-CB 3.41Å; L362-C365 PolarHBondContact O-N 3.4Å; S363-C365 VanDerWaalsContact C-N 3.29Å; S363-C365 PolarHBondContact O-N 2.94Å; C365-L369 VanDerWaalsContact O-CB 3.27Å; C365-L369 WeakPolarHBondContact O-CB 3.34Å; C365-L369 PolarHBondContact O-N 3Å
366F74.9Confident69.6Low120 Ų12087.4 Ų87.453%0.52647%0.474SS..Hα-helixtrans-69-38.2174.9-71.8-66.8000112.2L362 S363 D364 L369 W370L362-F366 HydrophobicContact CB-CD2 4.13Å; L362-F366 HydrophobicContact CB-CE2 3.77Å; L362-F366 WeakPolarHBondContact O-CD2 3.45Å; L362-F366 PolarHBondContact O-N 3.21Å; L362-F366 VanDerWaalsContact O-N 3.14Å; S363-F366 WeakPolarHBondContact O-CA 3.4Å; S363-F366 WeakPolarHBondContact O-CB 3.32Å; S363-F366 PolarHBondContact O-N 3.4Å; D364-F366 VanDerWaalsContact C-N 3.29Å; D364-F366 PolarHBondContact O-N 3.21Å; F366-L369 PolarHBondContact O-N 3.08Å; F366-W370 WeakPolarHBondContact O-CB 3.37Å; F366-W370 PolarHBondContact O-N 3.21Å
367E73.9Confident71.7Confident127 Ų12785.8 Ų85.859%0.59346%0.461SS*.Hα-helixtrans-64.2-44.8176-68.7-171.3176.400112.2S363 D364 W370 A371S363-E367 PolarHBondContact O-N 3.24Å; D364-E367 PolarHBondContact O-N 2.99Å; E367-W370 PolarHBondContact O-N 3.04Å; E367-A371 WeakPolarHBondContact O-CB 3.21Å; E367-A371 PolarHBondContact O-N 2.99Å
368V74.3Confident73.5Confident92 Ų9285.8 Ų85.856%0.55846%0.464SS*.Hα-helixtrans-62.8-43.9175.6173.90000110.8D364 W370 A371 C372D364-V368 WeakPolarHBondContact O-CG2 3.4Å; D364-V368 PolarHBondContact O-N 3.36Å; V368-W370 VanDerWaalsContact C-N 3.3Å; V368-W370 PolarHBondContact O-N 3Å; V368-A371 PolarHBondContact O-N 3.44Å; V368-C372 PolarHBondContact O-N 2.98Å; V368-C372 PolarHBondContact O-SG 3.43Å; V368-C372 VanDerWaalsContact O-SG 3.35Å
369L79.9Confident74.9Confident120 Ų12084.2 Ų84.263%0.62846%0.461SS*.Hα-helixtrans-62.1-40.2178.2-171142.9000111.5C365 F366 Y373C365-L369 VanDerWaalsContact O-CB 3.27Å; C365-L369 WeakPolarHBondContact O-CB 3.34Å; C365-L369 PolarHBondContact O-N 3Å; F366-L369 PolarHBondContact O-N 3.08Å; L369-Y373 WeakPolarHBondContact O-CB 3.3Å; L369-Y373 PolarHBondContact O-N 3.24Å
370W80.4Confident76.3Confident170 Ų17083.2 Ų83.264%0.64446%0.456SS*.Hα-helixtrans-64.8-45174.4-177.4-109.8000112.2F366 E367 V368 C372 Y373 V374F366-W370 WeakPolarHBondContact O-CB 3.37Å; F366-W370 PolarHBondContact O-N 3.21Å; E367-W370 PolarHBondContact O-N 3.04Å; V368-W370 VanDerWaalsContact C-N 3.3Å; V368-W370 PolarHBondContact O-N 3Å; W370-C372 PolarHBondContact O-N 3.07Å; W370-Y373 HydrophobicContact CE3-CD1 4.17Å; W370-Y373 HydrophobicContact CH2-CD1 4.47Å; W370-Y373 AromaticContact CZ3-CD1 3.95Å; W370-Y373 HydrophobicContact CZ3-CD1 3.95Å; W370-Y373 HydrophobicContact CZ3-CE1 4.22Å; W370-Y373 WeakPolarHBondContact O-CB 3.34Å; W370-Y373 PolarHBondContact O-N 3.49Å; W370-V374 HydrophobicContact CD2-CG2 4.35Å; W370-V374 HydrophobicContact CZ2-CG2 4.22Å; W370-V374 WeakPolarHBondContact O-CG2 3.48Å; W370-V374 PolarHBondContact O-N 2.96Å
371A79.1Confident77.7Confident45 Ų4584.5 Ų84.537%0.37245%0.451SS..Hα-helixtrans-60-45.7176.100000111.7E367 V368 Y373 V374 I375E367-A371 WeakPolarHBondContact O-CB 3.21Å; E367-A371 PolarHBondContact O-N 2.99Å; V368-A371 PolarHBondContact O-N 3.44Å; A371-Y373 VanDerWaalsContact C-N 3.31Å; A371-Y373 PolarHBondContact O-N 3.49Å; A371-V374 PolarHBondContact O-N 3.42Å; A371-I375 WeakPolarHBondContact O-CB 3.33Å; A371-I375 VanDerWaalsContact O-CG1 3.25Å; A371-I375 WeakPolarHBondContact O-CG1 3.39Å; A371-I375 PolarHBondContact O-N 3.28Å
372C81.5Confident79.1Confident72 Ų7286.2 Ų86.249%0.48646%0.464SS..Hα-helixtrans-59.7-40.7174.9-71.90000112.3V368 W370 S376V368-C372 PolarHBondContact O-N 2.98Å; V368-C372 PolarHBondContact O-SG 3.43Å; V368-C372 VanDerWaalsContact O-SG 3.35Å; W370-C372 PolarHBondContact O-N 3.07Å; C372-S376 WeakPolarHBondContact O-CB 3.46Å; C372-S376 PolarHBondContact O-N 2.85Å; C372-S376 PolarHBondContact O-OG 3.45Å
373Y82.8Confident80.1Confident131 Ų13187.2 Ų87.251%0.51447%0.467SS..Hα-helixtrans-63-47.7176.3176.7-101.3000111.8L369 W370 A371 S376 L377L369-Y373 WeakPolarHBondContact O-CB 3.3Å; L369-Y373 PolarHBondContact O-N 3.24Å; W370-Y373 HydrophobicContact CE3-CD1 4.17Å; W370-Y373 HydrophobicContact CH2-CD1 4.47Å; W370-Y373 AromaticContact CZ3-CD1 3.95Å; W370-Y373 HydrophobicContact CZ3-CD1 3.95Å; W370-Y373 HydrophobicContact CZ3-CE1 4.22Å; W370-Y373 WeakPolarHBondContact O-CB 3.34Å; W370-Y373 PolarHBondContact O-N 3.49Å; A371-Y373 VanDerWaalsContact C-N 3.31Å; A371-Y373 PolarHBondContact O-N 3.49Å; Y373-S376 PolarHBondContact O-N 3.4Å; Y373-L377 WeakPolarHBondContact O-CB 3.25Å; Y373-L377 PolarHBondContact O-N 2.88Å
374V87Confident80.8Confident58 Ų5894 Ų9435%0.35249%0.485SS..Hα-helixtrans-62.8-45.1178.5173.80000111.2W370 A371 S376 L377 V378W370-V374 HydrophobicContact CD2-CG2 4.35Å; W370-V374 HydrophobicContact CZ2-CG2 4.22Å; W370-V374 WeakPolarHBondContact O-CG2 3.48Å; W370-V374 PolarHBondContact O-N 2.96Å; A371-V374 PolarHBondContact O-N 3.42Å; V374-S376 PolarHBondContact O-N 2.92Å; V374-L377 WeakPolarHBondContact O-CB 3.23Å; V374-L377 PolarHBondContact O-N 3.27Å; V374-V378 WeakPolarHBondContact O-CG2 3.37Å; V374-V378 PolarHBondContact O-N 3.45Å
375I86.1Confident81.6Confident107 Ų107100.1 Ų100.155%0.54951%0.51SS..Hα-helixtrans-61.1-45.6177.6-68.4165.8000110.6A371 L377 V378 C379A371-I375 WeakPolarHBondContact O-CB 3.33Å; A371-I375 VanDerWaalsContact O-CG1 3.25Å; A371-I375 WeakPolarHBondContact O-CG1 3.39Å; A371-I375 PolarHBondContact O-N 3.28Å; I375-L377 VanDerWaalsContact C-N 3.32Å; I375-L377 PolarHBondContact O-N 2.89Å; I375-V378 PolarHBondContact O-N 3.35Å; I375-C379 PolarHBondContact O-N 2.96Å; I375-C379 PolarHBondContact O-SG 2.87Å; I375-C379 VanDerWaalsContact O-SG 3.37Å
376S84.2Confident82.1Confident68 Ų68103.1 Ų103.148%0.47652%0.523SS..Hα-helixtrans-60.7-41.7178.1-590000111.9C372 Y373 V374 C379 L380C372-S376 WeakPolarHBondContact O-CB 3.46Å; C372-S376 PolarHBondContact O-N 2.85Å; C372-S376 PolarHBondContact O-OG 3.45Å; Y373-S376 PolarHBondContact O-N 3.4Å; V374-S376 PolarHBondContact O-N 2.92Å; S376-C379 PolarHBondContact O-N 2.67Å; S376-L380 WeakPolarHBondContact O-CG 3.43Å; S376-L380 PolarHBondContact O-N 2.89Å
377L87.5Confident82.3Confident70 Ų70102.8 Ų102.837%0.36652%0.521SS..Hα-helixtrans-62.3-44.3176.3-168.198.4000111.5Y373 V374 I375 L380 M381Y373-L377 WeakPolarHBondContact O-CB 3.25Å; Y373-L377 PolarHBondContact O-N 2.88Å; V374-L377 WeakPolarHBondContact O-CB 3.23Å; V374-L377 PolarHBondContact O-N 3.27Å; I375-L377 VanDerWaalsContact C-N 3.32Å; I375-L377 PolarHBondContact O-N 2.89Å; L377-L380 PolarHBondContact O-N 3.42Å; L377-M381 HydrophobicContact CD2-CE 3.23Å; L377-M381 HydrophobicContact CG-CE 3.64Å; L377-M381 WeakPolarHBondContact O-CG 3.38Å; L377-M381 PolarHBondContact O-N 2.87Å
378V88Confident82.5Confident78 Ų7899.3 Ų99.347%0.47351%0.511SS..Hα-helixtrans-62.5-45.3177171.90000110.8V374 I375 L380 M381 V382V374-V378 WeakPolarHBondContact O-CG2 3.37Å; V374-V378 PolarHBondContact O-N 3.45Å; I375-V378 PolarHBondContact O-N 3.35Å; V378-L380 PolarHBondContact O-N 3.22Å; V378-M381 PolarHBondContact O-N 2.95Å; V378-V382 HydrophobicContact CG1-CG2 4.48Å; V378-V382 WeakPolarHBondContact O-CG2 3.43Å; V378-V382 PolarHBondContact O-N 3.12Å
379C84.8Confident82.5Confident76 Ų76102.7 Ų102.751%0.51451%0.514SS..Hα-helixtrans-58.4-45.3175.8-70.70000112I375 S376 M381 V382 E383I375-C379 PolarHBondContact O-N 2.96Å; I375-C379 PolarHBondContact O-SG 2.87Å; I375-C379 VanDerWaalsContact O-SG 3.37Å; S376-C379 PolarHBondContact O-N 2.67Å; C379-M381 VanDerWaalsContact C-N 3.34Å; C379-M381 PolarHBondContact O-N 2.89Å; C379-V382 PolarHBondContact O-N 3.36Å; C379-E383 WeakPolarHBondContact O-CB 3.39Å; C379-E383 PolarHBondContact O-N 3.21Å
380L84.5Confident82.2Confident108 Ų108103.3 Ų103.357%0.56551%0.513SS*.Hα-helixtrans-63.1-38.4176.9-73.8171.5000112.5S376 L377 V378 R384S376-L380 WeakPolarHBondContact O-CG 3.43Å; S376-L380 PolarHBondContact O-N 2.89Å; L377-L380 PolarHBondContact O-N 3.42Å; V378-L380 PolarHBondContact O-N 3.22Å; L380-R384 VanDerWaalsContact O-CB 3.32Å; L380-R384 WeakPolarHBondContact O-CB 3.49Å; L380-R384 PolarHBondContact O-N 3.46Å
381M85.6Confident81.5Confident97 Ų97101.1 Ų101.148%0.47851%0.514SS..Hα-helixtrans-63.1-48.7174.2-72-166.6-137.100110.9L377 V378 C379 E383 R384 F385L377-M381 HydrophobicContact CD2-CE 3.23Å; L377-M381 HydrophobicContact CG-CE 3.64Å; L377-M381 WeakPolarHBondContact O-CG 3.38Å; L377-M381 PolarHBondContact O-N 2.87Å; V378-M381 PolarHBondContact O-N 2.95Å; C379-M381 VanDerWaalsContact C-N 3.34Å; C379-M381 PolarHBondContact O-N 2.89Å; M381-E383 PolarHBondContact O-N 3.45Å; M381-R384 PolarHBondContact O-N 2.95Å; M381-F385 VanDerWaalsContact O-CD2 3.23Å; M381-F385 WeakPolarHBondContact O-CD2 3.24Å; M381-F385 PolarHBondContact O-N 3.43Å
382V85.6Confident80.6Confident78 Ų78105.8 Ų105.847%0.47353%0.531SS..Hα-helixtrans-60.2-44.9178.8173.60000111.1V378 C379 R384 F385 L386V378-V382 HydrophobicContact CG1-CG2 4.48Å; V378-V382 WeakPolarHBondContact O-CG2 3.43Å; V378-V382 PolarHBondContact O-N 3.12Å; C379-V382 PolarHBondContact O-N 3.36Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 3.39Å; V382-F385 PolarHBondContact O-N 2.96Å; V382-L386 HydrophobicContact CG1-CD1 3.94Å; V382-L386 HydrophobicContact CG1-CG 4.37Å; V382-L386 WeakPolarHBondContact O-CG 3.33Å; V382-L386 PolarHBondContact O-N 3.27Å
383E83.7Confident79.6Confident89 Ų89108.9 Ų108.942%0.41654%0.539SS..Hα-helixtrans-60.8-42.8176.9-167.9-169.2160.500111.6C379 M381 F385 L386 K387C379-E383 WeakPolarHBondContact O-CB 3.39Å; C379-E383 PolarHBondContact O-N 3.21Å; M381-E383 PolarHBondContact O-N 3.45Å; E383-F385 VanDerWaalsContact C-N 3.35Å; E383-L386 PolarHBondContact O-N 3.17Å; E383-K387 HydrophobicContact CG-CD 4.34Å; E383-K387 WeakPolarHBondContact O-CB 3.35Å; E383-K387 WeakPolarHBondContact O-CG 3.36Å; E383-K387 PolarHBondContact O-N 3.27Å; E383-K387 VanDerWaalsContact OE1-CE 3.3Å; E383-K387 WeakPolarHBondContact OE1-CE 3.16Å; E383-K387 IonicContact OE1-NZ 2.71Å; E383-K387 PolarHBondContact OE1-NZ 3.06Å
384R81.4Confident78.1Confident193 Ų193110 Ų11073%0.72855%0.546SS*.Hα-helixtrans-66.3-37.7177.1-169174.9-178.3172.50.4111.9L380 M381 V382 S388L380-R384 VanDerWaalsContact O-CB 3.32Å; L380-R384 WeakPolarHBondContact O-CB 3.49Å; L380-R384 PolarHBondContact O-N 3.46Å; M381-R384 PolarHBondContact O-N 2.95Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 3.39Å; R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.46Å; R384-S388 PolarHBondContact O-N 3.13Å; R384-S388 PolarHBondContact O-OG 2.91Å
385F79.9Confident76.2Confident156 Ų156112.2 Ų112.268%0.68456%0.562SS**Hα-helixtrans-63.6-47173.4-92.1-75.4000111.3M381 V382 E383 S388 W389M381-F385 VanDerWaalsContact O-CD2 3.23Å; M381-F385 WeakPolarHBondContact O-CD2 3.24Å; M381-F385 PolarHBondContact O-N 3.43Å; V382-F385 PolarHBondContact O-N 2.96Å; E383-F385 VanDerWaalsContact C-N 3.35Å; F385-S388 PolarHBondContact O-N 3.43Å; F385-W389 WeakPolarHBondContact O-CB 3.42Å; F385-W389 PolarHBondContact O-N 3.5Å
386L79.6Confident74.1Confident111 Ų111118.2 Ų118.258%0.58158%0.578SS**Hα-helixtrans-62.4-47178-71171.1000112V382 E383 S388 W389 E390V382-L386 HydrophobicContact CG1-CD1 3.94Å; V382-L386 HydrophobicContact CG1-CG 4.37Å; V382-L386 WeakPolarHBondContact O-CG 3.33Å; V382-L386 PolarHBondContact O-N 3.27Å; E383-L386 PolarHBondContact O-N 3.17Å; L386-S388 VanDerWaalsContact C-N 3.33Å; L386-S388 PolarHBondContact O-N 3.44Å; L386-W389 WeakPolarHBondContact O-CB 3.4Å; L386-W389 PolarHBondContact O-N 2.96Å; L386-E390 PolarHBondContact O-N 2.89Å
387K78.3Confident72Confident113 Ų113124.7 Ų124.749%0.49160%0.598SS.*Hα-helixtrans-62.2-38.9175.5-78176.9171.9168.80112.7E383 W389 E390 L391E383-K387 HydrophobicContact CG-CD 4.34Å; E383-K387 WeakPolarHBondContact O-CB 3.35Å; E383-K387 WeakPolarHBondContact O-CG 3.36Å; E383-K387 PolarHBondContact O-N 3.27Å; E383-K387 VanDerWaalsContact OE1-CE 3.3Å; E383-K387 WeakPolarHBondContact OE1-CE 3.16Å; E383-K387 IonicContact OE1-NZ 2.71Å; E383-K387 PolarHBondContact OE1-NZ 3.06Å; K387-W389 VanDerWaalsContact C-N 3.32Å; K387-E390 PolarHBondContact O-N 2.85Å; K387-L391 WeakPolarHBondContact O-CG 3.34Å; K387-L391 PolarHBondContact O-N 3.31Å
388S78.4Confident69.9Low54 Ų54128.6 Ų128.638%0.37862%0.617SS.*Hα-helixtrans-67.4-36.3176.3-58.70000111.5R384 F385 L386 L391 L392R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.46Å; R384-S388 PolarHBondContact O-N 3.13Å; R384-S388 PolarHBondContact O-OG 2.91Å; F385-S388 PolarHBondContact O-N 3.43Å; L386-S388 VanDerWaalsContact C-N 3.33Å; L386-S388 PolarHBondContact O-N 3.44Å; S388-L391 PolarHBondContact O-N 3.04Å; S388-L392 WeakPolarHBondContact O-CD1 3.39Å; S388-L392 WeakPolarHBondContact O-CG 3.49Å; S388-L392 PolarHBondContact O-N 3.14Å
389W73.6Confident67.5Low163 Ų163128 Ų12862%0.61763%0.626SS**Hα-helixtrans-66.2-44.5175.4-168.1-89.5000112.1F385 L386 K387 L391 L392 Q393F385-W389 WeakPolarHBondContact O-CB 3.42Å; F385-W389 PolarHBondContact O-N 3.5Å; L386-W389 WeakPolarHBondContact O-CB 3.4Å; L386-W389 PolarHBondContact O-N 2.96Å; K387-W389 VanDerWaalsContact C-N 3.32Å; W389-L391 VanDerWaalsContact C-N 3.33Å; W389-L391 PolarHBondContact O-N 2.91Å; W389-L392 PolarHBondContact O-N 3.18Å; W389-L392 VanDerWaalsContact O-N 3.16Å; W389-Q393 PolarHBondContact O-N 3.28Å
390E73.2Confident65.1Low132 Ų132130 Ų13062%0.61764%0.642SS**Hα-helixtrans-61.3-39.6174-74.9-173.5166.700112.6L386 K387 L392 Q393 K394L386-E390 PolarHBondContact O-N 2.89Å; K387-E390 PolarHBondContact O-N 2.85Å; E390-L392 VanDerWaalsContact C-N 3.3Å; E390-L392 PolarHBondContact O-N 3.42Å; E390-Q393 PolarHBondContact O-N 2.98Å; E390-K394 PolarHBondContact O-N 3.47Å; E390-K394 VanDerWaalsContact O-N 3.14Å
391L66.1Low62.8Low125 Ų125134.2 Ų134.265%0.65465%0.65SS**Hα-helixtrans-65.3-33.4175.3-78.7165.7000112.5K387 S388 W389K387-L391 WeakPolarHBondContact O-CG 3.34Å; K387-L391 PolarHBondContact O-N 3.31Å; S388-L391 PolarHBondContact O-N 3.04Å; W389-L391 VanDerWaalsContact C-N 3.33Å; W389-L391 PolarHBondContact O-N 2.91Å
392L59.8Low60.5Low143 Ų143135.7 Ų135.775%0.74967%0.667SS**Hα-helixtrans-74.6-28.9175.1-76.6163.3000112.6S388 W389 E390S388-L392 WeakPolarHBondContact O-CD1 3.39Å; S388-L392 WeakPolarHBondContact O-CG 3.49Å; S388-L392 PolarHBondContact O-N 3.14Å; W389-L392 PolarHBondContact O-N 3.18Å; W389-L392 VanDerWaalsContact O-N 3.16Å; E390-L392 VanDerWaalsContact C-N 3.3Å; E390-L392 PolarHBondContact O-N 3.42Å
393Q62.1Low58.5Low136 Ų136138.4 Ų138.464%0.63667%0.674SS**Hα-helixtrans-81.2-18.2176.7-73.7-170.4-22.600113.8W389 E390 P395W389-Q393 PolarHBondContact O-N 3.28Å; E390-Q393 PolarHBondContact O-N 2.98Å; Q393-P395 WeakPolarHBondContact O-CD 3.39Å
394K50.7Low56.4Low154 Ų154140.6 Ų140.667%0.6769%0.694SS**SBendtrans-69.1119.9171.3-81.7-177.8179.7174.20109.8E390 R396E390-K394 PolarHBondContact O-N 3.47Å; E390-K394 VanDerWaalsContact O-N 3.14Å; K394-R396 PolarHBondContact O-N 2.89Å; K394-R396 VanDerWaalsContact O-N 3.13Å
395P46.4Very low54.3Low106 Ų106135.8 Ų135.869%0.68870%0.696SS**  trans-62121.7177.524.1-30.5000108.8Q393 F397Q393-P395 WeakPolarHBondContact O-CD 3.39Å; P395-F397 PolarHBondContact O-N 3.16Å
396R43.8Very low52.6Low232 Ų232138 Ų13888%0.87571%0.705SS**  trans-58.9104163.6-74.6-175.6179.5179.10.5107.1K394 I398K394-R396 PolarHBondContact O-N 2.89Å; K394-R396 VanDerWaalsContact O-N 3.13Å; R396-I398 PolarHBondContact O-N 3.13Å
397F39.8Very low50.7Low204 Ų204140.6 Ų140.690%0.89571%0.714SS**  trans-61.195.9155.1-100.2-88.3000106.5P395P395-F397 PolarHBondContact O-N 3.16Å
398I43Very low49Very low153 Ų153141.2 Ų141.279%0.78572%0.723SS**  trans-62.4133.1169.3-68.4170.7000106.8R396R396-I398 PolarHBondContact O-N 3.13Å
399G37Very low47.3Very low64 Ų64147 Ų14766%0.6674%0.744SS**  trans-63.5135.8-161.300000114.6R401G399-R401 PolarHBondContact O-N 3.11Å; G399-R401 VanDerWaalsContact O-N 3.11Å
400S35.8Very low45.8Very low120 Ų120142.3 Ų142.384%0.83975%0.746SS**  trans-58.9102.1145.335.80000108.6P402S400-P402 WeakPolarHBondContact O-CD 3.38Å
401R36.3Very low44.2Very low195 Ų195142.3 Ų142.374%0.73676%0.755SS**  trans-75.5123.7159.5-101.9-178178.7-179.97.2108.2G399 Q403G399-R401 PolarHBondContact O-N 3.11Å; G399-R401 VanDerWaalsContact O-N 3.11Å; R401-Q403 HydrophobicContact CG-CG 4.48Å
402P35.4Very low43Very low129 Ų129144.9 Ų144.984%0.83877%0.766SS**  trans-86.997.614728-16000107.7S400S400-P402 WeakPolarHBondContact O-CD 3.38Å
403Q44.3Very low42.3Very low134 Ų134143.4 Ų143.463%0.62677%0.768SS**  trans-104.3113.4152.6-71.7-178.3-44.900102.9R401R401-Q403 HydrophobicContact CG-CG 4.48Å
404T39.3Very low41.6Very low135 Ų135149.8 Ų149.883%0.82880%0.798SS**  -166133.557.925.60000108.8
405A38.4Very low41.2Very low93 Ų93149.6 Ų149.677%0.76980%0.804SS**  trans-128.1135.8160.400000107.4
406K42.8Very low40.9Very low201 Ų201151.9 Ų151.987%0.87481%0.81SS**  trans81.9122.8-169-53.2177178.3-178.70110.9
407Q39.7Very low40.7Very low167 Ų167147.4 Ų147.478%0.7881%0.807SS**  cis-175.5144.145.9-162.6169.9-7.700107.8
408N43.4Very low40.8Very low126 Ų126144.1 Ų144.167%0.67480%0.802SS**  trans51116152.9-68.79.9000118.1
409E42.9Very low40.7Very low175 Ų175143.6 Ų143.682%0.81880%0.803SS**  166.1137.570.8-103.4152-155.400103.1
410G42.4Very low40.9Very low64 Ų64148.9 Ų148.966%0.6681%0.812SS**  84.5105.98200000111.7
411T39.5Very low41.3Very low132 Ų132150.9 Ų150.981%0.8181%0.81SS**  trans71.9107.6149.138.30000119.3
412M40.4Very low41.6Very low179 Ų179147.5 Ų147.588%0.88282%0.816SS**  75.2110.6100.4-85.5-171.5177.800113.9
413S45.7Very low42.2Very low113 Ų113149.1 Ų149.179%0.7981%0.814SS**  165.813610061.50000111.9
414Q47.2Very low42Very low270 Ų270150.5 Ų150.5100%1.26283%0.831SS**  trans76.90166.4-64.5-172-9.100118.4

Retrieved 414 of 414 residues in 216.5 ms (Link to these results)

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