A0A077ZBZ5_TRITR Loading...

Dolichyl-phosphate beta-glucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M52.4Low84.6Confident137 Ų13779.1 Ų79.168%0.67538%0.384SS*.  0128.60-78177.2-179.300107.3F3 V120M1-F3 HydrophobicContact CB-CE1 4.06Å; M1-F3 HydrophobicContact CB-CZ 4.43Å; M1-F3 HydrophobicContact CG-CE1 4.17Å; M1-F3 HydrophobicContact CG-CZ 4.49Å; M1-F3 HydrophobicContact SD-CE1 4.22Å; M1-F3 HydrophobicContact SD-CZ 3.97Å; M1-V120 HydrophobicContact CE-CG1 3.8Å; M1-V120 HydrophobicContact SD-CG1 4.09Å
2T61.8Low85.6Confident132 Ų13273.6 Ų73.681%0.8136%0.357SS*.  trans-100.78.2-1676.60000114.2
3F75.4Confident86.3Confident24 Ų2470 Ų7011%0.10534%0.342CS..SBendtrans-109.6152.9175.662-91.8000111.1M1 R5 L117 V120M1-F3 HydrophobicContact CB-CE1 4.06Å; M1-F3 HydrophobicContact CB-CZ 4.43Å; M1-F3 HydrophobicContact CG-CE1 4.17Å; M1-F3 HydrophobicContact CG-CZ 4.49Å; M1-F3 HydrophobicContact SD-CE1 4.22Å; M1-F3 HydrophobicContact SD-CZ 3.97Å; F3-R5 HydrophobicContact CD2-CB 4.38Å; F3-R5 HydrophobicContact CE2-CB 4.01Å; F3-R5 PolarHBondContact O-N 3.38Å; F3-L117 HydrophobicContact CD2-CD2 3.93Å; F3-L117 HydrophobicContact CE2-CD2 3.38Å; F3-L117 HydrophobicContact CZ-CD2 4.31Å; F3-V120 HydrophobicContact CE1-CG2 4.04Å; F3-V120 HydrophobicContact CZ-CB 4.35Å; F3-V120 HydrophobicContact CZ-CG1 4.13Å; F3-V120 HydrophobicContact CZ-CG2 3.74Å
4L83.9Confident87Confident102 Ų10266.6 Ų66.653%0.53433%0.327SS..  trans-66.9124.2176.6-179.765.3000109.9Y6 R109L4-Y6 HydrophobicContact CD2-CE2 3.95Å; L4-Y6 HydrophobicContact CG-CE2 4.2Å; L4-R109 VanDerWaalsContact O-CZ 3.26Å; L4-R109 PolarHBondContact O-NH1 2.91Å; L4-R109 PolarHBondContact O-NH2 3.2Å
5R90Very high87.4Confident37 Ų3762.8 Ų62.814%0.1431%0.309CS..  trans-133.7122.2171.1-173178.5-178.1178.63.8108.6F3 E9 L117 C121F3-R5 HydrophobicContact CD2-CB 4.38Å; F3-R5 HydrophobicContact CE2-CB 4.01Å; F3-R5 PolarHBondContact O-N 3.38Å; R5-E9 WeakPolarHBondContact CA-OE2 3.43Å; R5-E9 HydrophobicContact CG-CB 4.11Å; R5-E9 PolarHBondContact NE-O 3.08Å; R5-E9 VanDerWaalsContact NE-O 3.11Å; R5-E9 PolarHBondContact NH2-O 3.16Å; R5-L117 HydrophobicContact CB-CD2 4.42Å; R5-L117 HydrophobicContact CG-CD2 4.08Å; R5-C121 PolarHBondContact NH2-SG 3.24Å
6Y93.4Very high87.8Confident61 Ų6167.3 Ų67.324%0.23933%0.329CS..  trans-75.8154.6177-64.5-84.6000110.5L4 E8 E9 R106 H107L4-Y6 HydrophobicContact CD2-CE2 3.95Å; L4-Y6 HydrophobicContact CG-CE2 4.2Å; Y6-E8 PolarHBondContact O-N 3.28Å; Y6-E9 WeakPolarHBondContact CD2-OE1 3.42Å; Y6-E9 PolarHBondContact N-OE2 2.99Å; Y6-E9 WeakPolarHBondContact O-CB 3.36Å; Y6-E9 PolarHBondContact O-N 2.93Å; Y6-E9 VanDerWaalsContact O-N 3.09Å; Y6-R106 VanDerWaalsContact CD1-NH1 3.3Å; Y6-R106 HydrophobicContact CD2-CB 3.91Å; Y6-R106 HydrophobicContact CE2-CB 4.32Å; Y6-R106 HydrophobicContact CG-CB 4.3Å; Y6-H107 AromaticContact CE2-CE1 3.39Å; Y6-H107 WeakPolarHBondContact CE2-CE1 3.43Å; Y6-H107 AromaticContact CE2-ND1 3.72Å; Y6-H107 AromaticContact CZ-CE1 3.78Å; Y6-H107 PolarHBondContact OH-CE1 2.66Å
7D92.2Very high88.1Confident115 Ų11567.9 Ų67.962%0.61533%0.334SS*.SBendtrans-62.9-30.4-179.4-69.2-27.7000112.4E9 R10 F11D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 3.45Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 IonicContact OD1-NE 3.28Å; D7-R10 PolarHBondContact OD1-NE 2.93Å; D7-F11 WeakPolarHBondContact O-CD2 3.48Å; D7-F11 VanDerWaalsContact O-CE2 3.23Å; D7-F11 WeakPolarHBondContact O-CE2 3.49Å
8E92.7Very high88.1Confident91 Ų9168.8 Ų68.843%0.42535%0.345SS..G310 helixtrans-64.2-35.517461.1-163.4-133.200114.4Y6 R10 F11 R21 R106Y6-E8 PolarHBondContact O-N 3.28Å; E8-R10 PolarHBondContact O-N 3.33Å; E8-R10 VanDerWaalsContact O-N 3.12Å; E8-F11 PolarHBondContact O-N 3Å; E8-R21 VanDerWaalsContact CA-NH2 3.33Å; E8-R106 HydrophobicContact CG-CB 4.42Å; E8-R106 WeakPolarHBondContact OE1-CA 3.28Å; E8-R106 WeakPolarHBondContact OE1-CB 3.38Å; E8-R106 WeakPolarHBondContact OE1-CD 3.43Å; E8-R106 WeakPolarHBondContact OE1-CG 3.36Å
9E96Very high88.2Confident1 Ų174.3 Ų74.31%0.00537%0.37CS..G310 helixtrans-751.4178.8-57.2169.616000112.6R5 Y6 D7 L103 L105 R106 R109R5-E9 WeakPolarHBondContact CA-OE2 3.43Å; R5-E9 HydrophobicContact CG-CB 4.11Å; R5-E9 PolarHBondContact NE-O 3.08Å; R5-E9 VanDerWaalsContact NE-O 3.11Å; R5-E9 PolarHBondContact NH2-O 3.16Å; Y6-E9 WeakPolarHBondContact CD2-OE1 3.42Å; Y6-E9 PolarHBondContact N-OE2 2.99Å; Y6-E9 WeakPolarHBondContact O-CB 3.36Å; Y6-E9 PolarHBondContact O-N 2.93Å; Y6-E9 VanDerWaalsContact O-N 3.09Å; D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 3.45Å; E9-L103 HydrophobicContact CB-CD1 4.27Å; E9-L103 WeakPolarHBondContact O-CD1 3.4Å; E9-L105 HydrophobicContact CG-CD2 4.12Å; E9-R106 PolarHBondContact OE1-N 2.7Å; E9-R109 IonicContact OE1-CZ 3.69Å; E9-R109 IonicContact OE1-NE 2.7Å; E9-R109 IonicContact OE1-NH2 2.69Å; E9-R109 PolarHBondContact OE1-NH2 3.15Å; E9-R109 VanDerWaalsContact OE1-NH2 3.11Å; E9-R109 IonicContact OE2-CZ 3.21Å; E9-R109 IonicContact OE2-NH2 2.92Å; E9-R109 PolarHBondContact OE2-NH2 2.93Å
10R95.8Very high88.3Confident107 Ų10777.3 Ų77.340%0.40438%0.377SS..G310 helixtrans-87.5-8.3173.3-62.1176.5-179.7-100.9-1.4113.2D7 E8 F24D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 IonicContact OD1-NE 3.28Å; D7-R10 PolarHBondContact OD1-NE 2.93Å; E8-R10 PolarHBondContact O-N 3.33Å; E8-R10 VanDerWaalsContact O-N 3.12Å; R10-F24 PolarHBondContact O-N 3.45Å
11F97Very high88.5Confident63 Ų6380 Ų8028%0.27638%0.383SS..EExtended strand (participates in β ladder)trans-129.8149.4-172.5-54.7-95.5000111.5D7 E8 R21 I22 Q23 F24D7-F11 WeakPolarHBondContact O-CD2 3.48Å; D7-F11 VanDerWaalsContact O-CE2 3.23Å; D7-F11 WeakPolarHBondContact O-CE2 3.49Å; E8-F11 PolarHBondContact O-N 3Å; F11-R21 HydrophobicContact CB-CB 4.08Å; F11-R21 HydrophobicContact CD1-CB 4.12Å; F11-R21 HydrophobicContact CG-CB 4.24Å; F11-I22 CarbonylContact C-O 2.94Å; F11-I22 WeakPolarHBondContact CA-O 3.2Å; F11-I22 WeakPolarHBondContact CB-O 3.19Å; F11-Q23 HydrophobicContact CD1-CB 4Å; F11-Q23 HydrophobicContact CE1-CB 3.91Å; F11-Q23 HydrophobicContact CE1-CG 4.32Å; F11-F24 VanDerWaalsContact C-CE2 3.48Å; F11-F24 WeakPolarHBondContact O-CE2 3.41Å
12F96.8Very high90.6Very high13 Ų1375.2 Ų75.26%0.05736%0.36CS..EExtended strand (participates in β ladder)trans-110.2167.2159.561.2-71.7000109.4I22 F24 I97 R101 V102F12-I22 HydrophobicContact CD1-CB 4.21Å; F12-I22 HydrophobicContact CD1-CG2 4.48Å; F12-I22 VanDerWaalsContact CD1-O 3.24Å; F12-I22 WeakPolarHBondContact CD1-O 3.4Å; F12-I22 HydrophobicContact CD2-CB 4.47Å; F12-I22 HydrophobicContact CE1-CB 3.75Å; F12-I22 HydrophobicContact CE1-CG2 3.57Å; F12-I22 HydrophobicContact CE2-CB 4.06Å; F12-I22 HydrophobicContact CE2-CD1 3.99Å; F12-I22 HydrophobicContact CE2-CG2 4.26Å; F12-I22 HydrophobicContact CZ-CB 3.67Å; F12-I22 HydrophobicContact CZ-CD1 4.2Å; F12-I22 HydrophobicContact CZ-CG2 3.45Å; F12-I22 VanDerWaalsContact CZ-CG2 3.45Å; F12-I22 PolarHBondContact N-O 2.86Å; F12-I22 PolarHBondContact O-N 3.02Å; F12-F24 HydrophobicContact CB-CD2 4.42Å; F12-F24 HydrophobicContact CB-CE1 4.14Å; F12-F24 HydrophobicContact CB-CE2 3.61Å; F12-F24 HydrophobicContact CB-CZ 3.48Å; F12-F24 VanDerWaalsContact CB-CZ 3.48Å; F12-F24 AromaticContact CD1-CD1 3.72Å; F12-F24 HydrophobicContact CD1-CD1 3.72Å; F12-F24 AromaticContact CD1-CD2 3.99Å; F12-F24 HydrophobicContact CD1-CD2 3.99Å; F12-F24 AromaticContact CD1-CE1 3.69Å; F12-F24 HydrophobicContact CD1-CE1 3.69Å; F12-F24 AromaticContact CD1-CE2 3.95Å; F12-F24 HydrophobicContact CD1-CE2 3.95Å; F12-F24 AromaticContact CD1-CG 3.9Å; F12-F24 HydrophobicContact CD1-CG 3.9Å; F12-F24 AromaticContact CD1-CZ 3.83Å; F12-F24 HydrophobicContact CD1-CZ 3.83Å; F12-F24 HydrophobicContact CE1-CD1 4.21Å; F12-F24 HydrophobicContact CE1-CE1 4.43Å; F12-F24 HydrophobicContact CG-CE1 4.1Å; F12-F24 HydrophobicContact CG-CE2 4.23Å; F12-F24 AromaticContact CG-CZ 3.94Å; F12-F24 HydrophobicContact CG-CZ 3.94Å; F12-I97 HydrophobicContact CE2-CB 4.29Å; F12-R101 HydrophobicContact CD2-CB 4.22Å; F12-R101 HydrophobicContact CD2-CG 3.98Å; F12-R101 HydrophobicContact CE2-CG 3.87Å; F12-R101 HydrophobicContact CG-CB 4.35Å; F12-R101 HydrophobicContact CG-CG 4.44Å; F12-R101 HydrophobicContact CZ-CG 4.24Å; F12-V102 WeakPolarHBondContact CB-O 3.32Å
13V95Very high92.2Very high27 Ų2775.2 Ų75.216%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-110.8150.9178.9-62.40000110.3R21 L89V13-R21 HydrophobicContact CG1-CG 4.41Å; V13-L89 HydrophobicContact CG2-CD2 3.86Å
14D95Very high93.3Very high23 Ų2374.5 Ų74.512%0.12335%0.347CS..EExtended strand (participates in β ladder)trans-81.2119.5164.2-174.3-21.6000108.4E16 N17 P18 R20 I22 I97D14-E16 PolarHBondContact O-N 3.47Å; D14-E16 WeakPolarHBondContact OD1-CB 3.41Å; D14-E16 PolarHBondContact OD1-N 3.38Å; D14-N17 HydrophobicContact CB-CB 4.49Å; D14-N17 CarbonylContact O-C 3.5Å; D14-N17 PolarHBondContact O-N 3.46Å; D14-N17 VanDerWaalsContact O-O 3.12Å; D14-P18 WeakPolarHBondContact O-CA 3.17Å; D14-P18 VanDerWaalsContact O-N 3.16Å; D14-R20 PolarHBondContact N-O 3.35Å; D14-R20 IonicContact OD2-NH1 3.81Å; D14-I22 HydrophobicContact CB-CD1 4.35Å; D14-I97 HydrophobicContact CB-CG2 4.34Å
15P94.3Very high93.8Very high9 Ų971.4 Ų71.46%0.05833%0.334CS..THydrogen-bonded Turntrans-65.3-16.1-178.527.3-34000113.6L89 R93 I97P15-L89 HydrophobicContact CB-CB 4.49Å; P15-L89 HydrophobicContact CB-CD2 4.46Å; P15-R93 HydrophobicContact CB-CB 4.18Å; P15-R93 HydrophobicContact CG-CB 3.9Å; P15-R93 PolarHBondContact O-NH2 3.35Å; P15-I97 VanDerWaalsContact CD-CG2 3.49Å; P15-I97 HydrophobicContact CG-CG2 4.42Å
16E93.2Very high94.1Very high134 Ų13470.8 Ų70.863%0.62634%0.335SS*.THydrogen-bonded Turntrans-86.7-21.4171.9-64.9-58.8119.100112.5D14 R93D14-E16 PolarHBondContact O-N 3.47Å; D14-E16 WeakPolarHBondContact OD1-CB 3.41Å; D14-E16 PolarHBondContact OD1-N 3.38Å; E16-R93 WeakPolarHBondContact OE1-CD 3.22Å; E16-R93 WeakPolarHBondContact OE1-CG 3.3Å; E16-R93 IonicContact OE1-NE 3.72Å; E16-R93 PolarHBondContact OE1-NE 2.68Å
17N92.9Very high94.2Very high79 Ų7968.3 Ų68.342%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-139.379.9173.9-173.6-10.8000110.8D14 Q19 R20D14-N17 HydrophobicContact CB-CB 4.49Å; D14-N17 CarbonylContact O-C 3.5Å; D14-N17 PolarHBondContact O-N 3.46Å; D14-N17 VanDerWaalsContact O-O 3.12Å; N17-Q19 PolarHBondContact O-N 3.43Å; N17-R20 HydrophobicContact CB-CB 4.06Å; N17-R20 WeakPolarHBondContact O-CA 3.29Å; N17-R20 VanDerWaalsContact O-CB 3.27Å; N17-R20 WeakPolarHBondContact O-CB 3.48Å; N17-R20 PolarHBondContact O-N 3.39Å; N17-R20 PolarHBondContact OD1-N 3.21Å
18P88.2Confident94.2Very high83 Ų8367.2 Ų67.254%0.53933%0.327SS..EExtended strand (participates in β ladder)trans-62-19-173.5-26.535.8000114.9D14 R20D14-P18 WeakPolarHBondContact O-CA 3.17Å; D14-P18 VanDerWaalsContact O-N 3.16Å; P18-R20 VanDerWaalsContact C-N 3.32Å
19Q89Confident94.3Very high174 Ų17466.5 Ų66.581%0.81333%0.326SS*.EExtended strand (participates in β ladder)trans-76.4-22.4174.6-61-59.8-26.200112.1N17 R21N17-Q19 PolarHBondContact O-N 3.43Å; Q19-R21 PolarHBondContact O-N 3.19Å
20R90.3Very high94.4Very high134 Ų13474.2 Ų74.251%0.50636%0.362SS..EExtended strand (participates in β ladder)trans-79.7100.6175.9-173.6-174.8179.4-163.61.6109.8D14 N17 P18 I22D14-R20 PolarHBondContact N-O 3.35Å; D14-R20 IonicContact OD2-NH1 3.81Å; N17-R20 HydrophobicContact CB-CB 4.06Å; N17-R20 WeakPolarHBondContact O-CA 3.29Å; N17-R20 VanDerWaalsContact O-CB 3.27Å; N17-R20 WeakPolarHBondContact O-CB 3.48Å; N17-R20 PolarHBondContact O-N 3.39Å; N17-R20 PolarHBondContact OD1-N 3.21Å; P18-R20 VanDerWaalsContact C-N 3.32Å; R20-I22 HydrophobicContact CG-CG1 4.19Å
21R92.3Very high94.5Very high133 Ų13371.5 Ų71.550%0.50236%0.358SS..EExtended strand (participates in β ladder)trans-88.8122.9172.7-61.5178.964.8-170.4-6.8109.5E8 F11 V13 Q19E8-R21 VanDerWaalsContact CA-NH2 3.33Å; F11-R21 HydrophobicContact CB-CB 4.08Å; F11-R21 HydrophobicContact CD1-CB 4.12Å; F11-R21 HydrophobicContact CG-CB 4.24Å; V13-R21 HydrophobicContact CG1-CG 4.41Å; Q19-R21 PolarHBondContact O-N 3.19Å
22I96.5Very high94.5Very high38 Ų3873.2 Ų73.220%0.19537%0.374CS..EExtended strand (participates in β ladder)trans-109.7127.6-177.9-53.8171.6000107.8F11 F12 D14 R20 I97F11-I22 CarbonylContact C-O 2.94Å; F11-I22 WeakPolarHBondContact CA-O 3.2Å; F11-I22 WeakPolarHBondContact CB-O 3.19Å; F12-I22 HydrophobicContact CD1-CB 4.21Å; F12-I22 HydrophobicContact CD1-CG2 4.48Å; F12-I22 VanDerWaalsContact CD1-O 3.24Å; F12-I22 WeakPolarHBondContact CD1-O 3.4Å; F12-I22 HydrophobicContact CD2-CB 4.47Å; F12-I22 HydrophobicContact CE1-CB 3.75Å; F12-I22 HydrophobicContact CE1-CG2 3.57Å; F12-I22 HydrophobicContact CE2-CB 4.06Å; F12-I22 HydrophobicContact CE2-CD1 3.99Å; F12-I22 HydrophobicContact CE2-CG2 4.26Å; F12-I22 HydrophobicContact CZ-CB 3.67Å; F12-I22 HydrophobicContact CZ-CD1 4.2Å; F12-I22 HydrophobicContact CZ-CG2 3.45Å; F12-I22 VanDerWaalsContact CZ-CG2 3.45Å; F12-I22 PolarHBondContact N-O 2.86Å; F12-I22 PolarHBondContact O-N 3.02Å; D14-I22 HydrophobicContact CB-CD1 4.35Å; R20-I22 HydrophobicContact CG-CG1 4.19Å; I22-I97 HydrophobicContact CD1-CD1 3.63Å
23Q96.8Very high94.6Very high132 Ų13273.9 Ų73.962%0.61738%0.378SS*.EExtended strand (participates in β ladder)trans-69.1135.7-179-171.3177.8-20.500110.2F11F11-Q23 HydrophobicContact CD1-CB 4Å; F11-Q23 HydrophobicContact CE1-CB 3.91Å; F11-Q23 HydrophobicContact CE1-CG 4.32Å
24F97.4Very high94.8Very high8 Ų873.8 Ų73.84%0.03538%0.377CS..PPolyproline II helixtrans-67.9138169.2-80.9-75.7000110.6R10 F11 F12 I74 R101 L103 C121R10-F24 PolarHBondContact O-N 3.45Å; F11-F24 VanDerWaalsContact C-CE2 3.48Å; F11-F24 WeakPolarHBondContact O-CE2 3.41Å; F12-F24 HydrophobicContact CB-CD2 4.42Å; F12-F24 HydrophobicContact CB-CE1 4.14Å; F12-F24 HydrophobicContact CB-CE2 3.61Å; F12-F24 HydrophobicContact CB-CZ 3.48Å; F12-F24 VanDerWaalsContact CB-CZ 3.48Å; F12-F24 AromaticContact CD1-CD1 3.72Å; F12-F24 HydrophobicContact CD1-CD1 3.72Å; F12-F24 AromaticContact CD1-CD2 3.99Å; F12-F24 HydrophobicContact CD1-CD2 3.99Å; F12-F24 AromaticContact CD1-CE1 3.69Å; F12-F24 HydrophobicContact CD1-CE1 3.69Å; F12-F24 AromaticContact CD1-CE2 3.95Å; F12-F24 HydrophobicContact CD1-CE2 3.95Å; F12-F24 AromaticContact CD1-CG 3.9Å; F12-F24 HydrophobicContact CD1-CG 3.9Å; F12-F24 AromaticContact CD1-CZ 3.83Å; F12-F24 HydrophobicContact CD1-CZ 3.83Å; F12-F24 HydrophobicContact CE1-CD1 4.21Å; F12-F24 HydrophobicContact CE1-CE1 4.43Å; F12-F24 HydrophobicContact CG-CE1 4.1Å; F12-F24 HydrophobicContact CG-CE2 4.23Å; F12-F24 AromaticContact CG-CZ 3.94Å; F12-F24 HydrophobicContact CG-CZ 3.94Å; F24-I74 HydrophobicContact CE1-CD1 4.46Å; F24-I74 HydrophobicContact CE1-CG2 4.38Å; F24-R101 HydrophobicContact CE1-CB 3.89Å; F24-R101 HydrophobicContact CZ-CB 4.35Å; F24-L103 HydrophobicContact CD2-CD1 4.36Å; F24-L103 HydrophobicContact CE2-CB 3.97Å; F24-L103 HydrophobicContact CE2-CD1 3.71Å; F24-L103 HydrophobicContact CE2-CG 4.36Å; F24-L103 HydrophobicContact CZ-CB 3.78Å; F24-L103 HydrophobicContact CZ-CD1 4.4Å; F24-C121 HydrophobicContact CB-CB 3.87Å; F24-C121 HydrophobicContact CD1-CB 3.57Å; F24-C121 HydrophobicContact CD2-CB 4.39Å; F24-C121 HydrophobicContact CE1-CB 4.1Å; F24-C121 HydrophobicContact CG-CB 3.71Å
25P96Very high95Very high38 Ų3872.7 Ų72.725%0.24737%0.371CS..PPolyproline II helixtrans-56.5160.7160.7-21.935.9000111C121 R123P25-C121 CarbonylContact O-C 3.51Å; P25-C121 WeakPolarHBondContact O-CA 3.32Å; P25-R123 HydrophobicContact CB-CG 3.87Å; P25-R123 HydrophobicContact CG-CG 3.63Å
26S94.5Very high95.2Very high23 Ų2372.2 Ų72.216%0.16137%0.368CS..  trans-104.7147.6-180-178.60000111S28 D29 V120 R210S26-S28 VanDerWaalsContact CB-OG 3.31Å; S26-S28 WeakPolarHBondContact CB-OG 3.4Å; S26-S28 PolarHBondContact O-N 2.92Å; S26-S28 VanDerWaalsContact O-N 3.08Å; S26-S28 PolarHBondContact OG-N 3.39Å; S26-S28 PolarHBondContact OG-OG 3.18Å; S26-D29 WeakPolarHBondContact CB-OD2 3.45Å; S26-D29 PolarHBondContact N-OD2 3.38Å; S26-D29 WeakPolarHBondContact O-CB 3.35Å; S26-D29 PolarHBondContact O-N 3.43Å; S26-V120 CarbonylContact C-O 3.59Å; S26-R210 PolarHBondContact O-NH2 2.88Å
27L95.4Very high95.5Very high9 Ų965.9 Ų65.95%0.04734%0.338CS..THydrogen-bonded Turntrans-55.8-21.3167.4-176.761.3000113.3D29 V119 V120 I127 R210 A213 A214L27-D29 VanDerWaalsContact C-N 3.31Å; L27-V119 HydrophobicContact CD2-CG1 3.96Å; L27-V120 PolarHBondContact N-O 3.48Å; L27-I127 HydrophobicContact CD1-CD1 3.51Å; L27-R210 HydrophobicContact CD1-CG 3.93Å; L27-R210 PolarHBondContact O-NH2 3.49Å; L27-A213 HydrophobicContact CD1-CB 4.2Å; L27-A213 HydrophobicContact CD2-CB 4.34Å; L27-A214 HydrophobicContact CD2-CB 4.25Å; L27-A214 HydrophobicContact CG-CB 4.13Å
28S92.6Very high95.7Very high92 Ų9262.1 Ų62.164%0.64332%0.318SS*.THydrogen-bonded Turntrans-76.9-14.4174.259.10000114.6S26S26-S28 VanDerWaalsContact CB-OG 3.31Å; S26-S28 WeakPolarHBondContact CB-OG 3.4Å; S26-S28 PolarHBondContact O-N 2.92Å; S26-S28 VanDerWaalsContact O-N 3.08Å; S26-S28 PolarHBondContact OG-N 3.39Å; S26-S28 PolarHBondContact OG-OG 3.18Å
29D96.1Very high96.2Very high77 Ų7758.1 Ų58.141%0.41229%0.292SS..SBendtrans-83.6154.6-179.8-51.4-25.8000109.6S26 L27 R210S26-D29 WeakPolarHBondContact CB-OD2 3.45Å; S26-D29 PolarHBondContact N-OD2 3.38Å; S26-D29 WeakPolarHBondContact O-CB 3.35Å; S26-D29 PolarHBondContact O-N 3.43Å; L27-D29 VanDerWaalsContact C-N 3.31Å; D29-R210 PolarHBondContact O-NE 3.19Å; D29-R210 PolarHBondContact O-NH2 3.05Å
30E97.3Very high96.7Very high163 Ų16350.5 Ų50.576%0.76226%0.258SS*.PPolyproline II helixtrans-57.9140.8173.1-69.9-57.3138.200110.7T32E30-T32 PolarHBondContact O-N 3.27Å
31P98.1Very high97.1Very high49 Ų4944.1 Ų44.132%0.31823%0.234SC..PPolyproline II helixtrans-65.7137.8-17926.8-31.8000111R123 R125P31-R123 CarbonylContact C-O 3.53Å; P31-R123 WeakPolarHBondContact CA-O 3.33Å; P31-R123 WeakPolarHBondContact CB-O 3.48Å; P31-R125 HydrophobicContact CB-CB 3.96Å; P31-R125 HydrophobicContact CG-CB 4.18Å
32T97.9Very high97.3Very high100 Ų10041.4 Ų41.461%0.61323%0.226SC*.  trans-113.7-3.5175.956.50000113.2E30 R123E30-T32 PolarHBondContact O-N 3.27Å; T32-R123 PolarHBondContact N-O 3.41Å; T32-R123 WeakPolarHBondContact OG1-CD 3.17Å
33L98.4Very high97.3Very high27 Ų2740.5 Ų40.514%0.14122%0.221CC..EExtended strand (participates in β ladder)trans-134.1162.9175.9-60.6175.2000110.2T70 E72 R123 G124 R125L33-T70 WeakPolarHBondContact CA-OG1 3.4Å; L33-E72 HydrophobicContact CD1-CB 3.63Å; L33-E72 HydrophobicContact CD1-CG 3.63Å; L33-R123 HydrophobicContact CB-CB 4.47Å; L33-R123 HydrophobicContact CD1-CB 4.04Å; L33-R123 HydrophobicContact CG-CB 4.18Å; L33-R123 PolarHBondContact N-O 2.96Å; L33-G124 CarbonylContact O-C 3.57Å; L33-G124 WeakPolarHBondContact O-CA 3.36Å; L33-R125 PolarHBondContact O-N 3.27Å
34D98.4Very high97.2Very high24 Ų2435.4 Ų35.413%0.12820%0.197CC..EExtended strand (participates in β ladder)trans-75.9-47.4174.8-57.6-80.1000111.5F69 T70 R125 Q126D34-F69 HydrophobicContact CB-CD2 4.04Å; D34-F69 HydrophobicContact CB-CE2 4.25Å; D34-T70 WeakPolarHBondContact CA-O 3.32Å; D34-T70 VanDerWaalsContact CB-O 3.31Å; D34-T70 WeakPolarHBondContact CB-O 3.29Å; D34-T70 PolarHBondContact N-O 2.91Å; D34-T70 PolarHBondContact N-OG1 2.83Å; D34-T70 VanDerWaalsContact N-OG1 3.1Å; D34-T70 PolarHBondContact OD2-N 2.99Å; D34-T70 PolarHBondContact OD2-OG1 3.21Å; D34-R125 PolarHBondContact O-N 3.39Å; D34-R125 IonicContact OD1-CZ 3.96Å; D34-R125 IonicContact OD1-NH1 2.66Å; D34-R125 PolarHBondContact OD1-NH1 3.35Å; D34-R125 IonicContact OD1-NH2 2.77Å; D34-R125 PolarHBondContact OD1-NH2 3.03Å; D34-Q126 PolarHBondContact O-N 3.19Å
35L98.8Very high97.2Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-128133.7-174.7-177.170.2000112.6V37 L59 F69 T70 Y71 E72 Q126 L128 L141 L207L35-V37 HydrophobicContact CD2-CG2 3.77Å; L35-V37 HydrophobicContact CG-CG2 4.07Å; L35-L59 HydrophobicContact CD2-CD2 3.7Å; L35-F69 HydrophobicContact CB-CE2 4.01Å; L35-F69 HydrophobicContact CB-CZ 4Å; L35-F69 HydrophobicContact CD2-CZ 3.93Å; L35-T70 PolarHBondContact N-O 2.81Å; L35-Y71 CarbonylContact O-C 3.59Å; L35-Y71 WeakPolarHBondContact O-CA 3.43Å; L35-E72 PolarHBondContact O-N 2.84Å; L35-Q126 CarbonylContact C-O 3.3Å; L35-Q126 WeakPolarHBondContact CA-O 3.48Å; L35-Q126 HydrophobicContact CD1-CB 4.15Å; L35-L128 HydrophobicContact CD1-CB 4.11Å; L35-L141 HydrophobicContact CD2-CD2 3.51Å; L35-L207 HydrophobicContact CD1-CD1 4.13Å
36T98.9Very high97.1Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-110.6128.6158.4-64.30000109.3I38 E72 I74 R123 G124 Q126 I127 L128T36-I38 HydrophobicContact CG2-CD1 3.4Å; T36-I38 HydrophobicContact CG2-CG1 4.19Å; T36-E72 WeakPolarHBondContact CA-O 3.25Å; T36-E72 HydrophobicContact CG2-CG 3.85Å; T36-E72 WeakPolarHBondContact OG1-CG 3.46Å; T36-E72 PolarHBondContact OG1-OE1 3.17Å; T36-I74 HydrophobicContact CG2-CD1 3.85Å; T36-I74 HydrophobicContact CG2-CG1 4.03Å; T36-R123 PolarHBondContact OG1-N 2.98Å; T36-G124 WeakPolarHBondContact OG1-CA 3.49Å; T36-G124 PolarHBondContact OG1-N 3.12Å; T36-Q126 PolarHBondContact N-O 3.06Å; T36-I127 CarbonylContact O-C 2.98Å; T36-I127 WeakPolarHBondContact O-CA 3.3Å; T36-L128 PolarHBondContact O-N 3.26Å
37V98.9Very high97.1Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-100.6121.6168.6-177.70000109.6L35 V39 L59 E72 V73 I74 L128 A130 F138L35-V37 HydrophobicContact CD2-CG2 3.77Å; L35-V37 HydrophobicContact CG-CG2 4.07Å; V37-V39 HydrophobicContact CG1-CG2 4.05Å; V37-L59 HydrophobicContact CG2-CD1 3.93Å; V37-E72 PolarHBondContact N-O 3.37Å; V37-V73 HydrophobicContact CB-CG1 4.38Å; V37-V73 HydrophobicContact CB-CG2 4.29Å; V37-V73 CarbonylContact O-C 3.49Å; V37-V73 WeakPolarHBondContact O-CA 3.22Å; V37-I74 PolarHBondContact O-N 2.88Å; V37-L128 CarbonylContact C-O 3.6Å; V37-L128 WeakPolarHBondContact CA-O 3.29Å; V37-L128 HydrophobicContact CG1-CD2 4.22Å; V37-L128 HydrophobicContact CG2-CB 4.41Å; V37-L128 HydrophobicContact CG2-CD2 4.04Å; V37-A130 HydrophobicContact CG1-CB 4.43Å; V37-F138 HydrophobicContact CG1-CE1 3.76Å; V37-F138 HydrophobicContact CG1-CZ 3.98Å; V37-F138 HydrophobicContact CG2-CE1 4.23Å
38I98.9Very high97.2Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-98.4126.4175.5-53.1-56.3000109.3T36 P40 I74 V76 G118 V119 I127 L128 F129 A130T36-I38 HydrophobicContact CG2-CD1 3.4Å; T36-I38 HydrophobicContact CG2-CG1 4.19Å; I38-P40 WeakPolarHBondContact O-CD 3.4Å; I38-I74 HydrophobicContact CD1-CB 3.78Å; I38-I74 HydrophobicContact CD1-CD1 3.87Å; I38-I74 HydrophobicContact CD1-CG1 4.12Å; I38-I74 HydrophobicContact CD1-CG2 4.5Å; I38-V76 HydrophobicContact CG2-CG2 3.99Å; I38-G118 VanDerWaalsContact CD1-O 3.3Å; I38-G118 WeakPolarHBondContact CD1-O 3.35Å; I38-V119 HydrophobicContact CG1-CG2 3.94Å; I38-I127 HydrophobicContact CG1-CG2 4.06Å; I38-L128 PolarHBondContact N-O 3.24Å; I38-F129 HydrophobicContact CB-CB 3.95Å; I38-F129 CarbonylContact O-C 3.57Å; I38-F129 WeakPolarHBondContact O-CA 3.49Å; I38-F129 WeakPolarHBondContact O-CB 3.22Å; I38-A130 PolarHBondContact O-N 2.75Å
39V98.8Very high97.4Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-119.791.9-178.8-179.10000109.1V37 S41 L48 M51 V73 I74 V75 V76 A132V37-V39 HydrophobicContact CG1-CG2 4.05Å; V39-S41 PolarHBondContact O-N 3.43Å; V39-S41 PolarHBondContact O-OG 3.01Å; V39-L48 HydrophobicContact CG1-CD1 3.8Å; V39-M51 HydrophobicContact CB-CE 3.94Å; V39-M51 HydrophobicContact CG1-CE 3.1Å; V39-M51 HydrophobicContact CG2-CE 3.55Å; V39-V73 HydrophobicContact CG2-CG1 3.77Å; V39-I74 PolarHBondContact N-O 2.96Å; V39-V75 HydrophobicContact CB-CG2 4.43Å; V39-V76 PolarHBondContact O-N 2.94Å; V39-A132 HydrophobicContact CG1-CB 3.89Å
40P98.5Very high97.4Very high13 Ų1343.2 Ų43.28%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-66.2124.4172.431.1-36.3000109.7I38 K111 A114 V115 A130 A132I38-P40 WeakPolarHBondContact O-CD 3.4Å; P40-K111 HydrophobicContact CB-CG 4.4Å; P40-K111 HydrophobicContact CG-CG 4.23Å; P40-A114 HydrophobicContact CB-CB 3.76Å; P40-V115 HydrophobicContact CB-CG2 3.85Å; P40-V115 HydrophobicContact CG-CG2 3.58Å; P40-A130 WeakPolarHBondContact CD-O 3.46Å; P40-A132 WeakPolarHBondContact O-CB 3.5Å
41S98.1Very high97.4Very high1 Ų135.6 Ų35.61%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-132128-173.9-54.20000110.4V39 V75 V76 D78V39-S41 PolarHBondContact O-N 3.43Å; V39-S41 PolarHBondContact O-OG 3.01Å; S41-V75 WeakPolarHBondContact OG-CG1 3.26Å; S41-V76 PolarHBondContact N-O 3.39Å; S41-D78 PolarHBondContact O-N 3.14Å
42K96.8Very high97.4Very high75 Ų7533.2 Ų33.233%0.32617%0.171SC..SBendtrans-141.8112172.1-175.4-176.7173.9-63.70110.1D78 S80 N108K42-D78 HydrophobicContact CB-CB 4.25Å; K42-S80 WeakPolarHBondContact CA-OG 3.34Å; K42-N108 VanDerWaalsContact CE-CG 3.5Å; K42-N108 WeakPolarHBondContact CE-ND2 3.43Å
43D96Very high97.4Very high20 Ų2031.9 Ų31.911%0.10716%0.161CC..SBendtrans54.551.1-178.1-46.3-50.6000112.4S80 L81 D82 K256D43-S80 PolarHBondContact N-OG 3.35Å; D43-S80 VanDerWaalsContact OD1-CA 3.28Å; D43-S80 WeakPolarHBondContact OD1-CA 3.17Å; D43-L81 PolarHBondContact OD1-N 3.37Å; D43-D82 VanDerWaalsContact CA-CG 3.48Å; D43-D82 WeakPolarHBondContact CA-OD1 3.49Å; D43-D82 WeakPolarHBondContact CA-OD2 3.18Å; D43-K256 HydrophobicContact CB-CD 4.41Å; D43-K256 PolarHBondContact O-NZ 2.98Å
44E95.9Very high97.4Very high24 Ų2433.8 Ų33.811%0.11217%0.169CC..  trans-111.922.2-174.5-63.5-64.9173.300113.3T46 R47 L48 D82 T84 A132E44-T46 PolarHBondContact O-N 3.41Å; E44-R47 PolarHBondContact O-N 3.32Å; E44-R47 IonicContact OE1-CZ 3.18Å; E44-R47 IonicContact OE1-NE 2.8Å; E44-R47 IonicContact OE1-NH2 3.58Å; E44-R47 PolarHBondContact OE1-NH2 3.39Å; E44-R47 IonicContact OE2-CZ 3.48Å; E44-R47 IonicContact OE2-NE 3.65Å; E44-R47 PolarHBondContact OE2-NE 2.92Å; E44-R47 IonicContact OE2-NH2 2.87Å; E44-R47 PolarHBondContact OE2-NH2 2.91Å; E44-L48 HydrophobicContact CB-CB 4.01Å; E44-L48 WeakPolarHBondContact O-CB 3.39Å; E44-L48 PolarHBondContact O-N 2.81Å; E44-D82 PolarHBondContact N-OD2 3.49Å; E44-T84 HydrophobicContact CB-CG2 4.37Å; E44-T84 PolarHBondContact N-OG1 3.04Å; E44-A132 HydrophobicContact CB-CB 4.26Å; E44-A132 HydrophobicContact CG-CB 3.83Å
45E96.3Very high97.4Very high83 Ų8332.7 Ų32.739%0.38816%0.163SC..THydrogen-bonded Turntrans-53.1-30.1-170.972.2-17517100114.2P49 D82 A83 T84 V87E45-P49 VanDerWaalsContact O-CD 3.24Å; E45-P49 WeakPolarHBondContact O-CD 3.4Å; E45-P49 WeakPolarHBondContact O-CG 3.22Å; E45-D82 HydrophobicContact CB-CB 4.46Å; E45-D82 WeakPolarHBondContact CB-OD2 3.34Å; E45-D82 HydrophobicContact CG-CB 4.3Å; E45-D82 WeakPolarHBondContact CG-OD2 3.22Å; E45-D82 PolarHBondContact N-OD2 3.33Å; E45-D82 WeakPolarHBondContact OE2-CB 3.4Å; E45-A83 HydrophobicContact CB-CB 4.28Å; E45-A83 VanDerWaalsContact OE2-CB 3.25Å; E45-A83 WeakPolarHBondContact OE2-CB 3.25Å; E45-A83 PolarHBondContact OE2-N 3.11Å; E45-T84 PolarHBondContact N-OG1 3.37Å; E45-T84 VanDerWaalsContact N-OG1 3.09Å; E45-V87 HydrophobicContact CB-CG2 4.47Å
46T94.8Very high97.4Very high113 Ų11332.7 Ų32.769%0.69316%0.163SC*.THydrogen-bonded Turntrans-91.5-30.2-179.761.30000113.9E44E44-T46 PolarHBondContact O-N 3.41Å
47R94.6Very high97.4Very high38 Ų3836.3 Ų36.314%0.14319%0.188CC..THydrogen-bonded Turntrans-93.8-36.7-175-64.9-167.9-69-178.47.3112.2E44 K50 M51 D253E44-R47 PolarHBondContact O-N 3.32Å; E44-R47 IonicContact OE1-CZ 3.18Å; E44-R47 IonicContact OE1-NE 2.8Å; E44-R47 IonicContact OE1-NH2 3.58Å; E44-R47 PolarHBondContact OE1-NH2 3.39Å; E44-R47 IonicContact OE2-CZ 3.48Å; E44-R47 IonicContact OE2-NE 3.65Å; E44-R47 PolarHBondContact OE2-NE 2.92Å; E44-R47 IonicContact OE2-NH2 2.87Å; E44-R47 PolarHBondContact OE2-NH2 2.91Å; R47-K50 PolarHBondContact O-N 3.25Å; R47-M51 PolarHBondContact O-N 2.92Å; R47-D253 PolarHBondContact NH1-O 3.17Å
48L96.9Very high97.3Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-54.7-44.2-179.3-178.865.7000113.3V39 E44 K50 M51 L52 V75 T84 V87 A88 A132V39-L48 HydrophobicContact CG1-CD1 3.8Å; E44-L48 HydrophobicContact CB-CB 4.01Å; E44-L48 WeakPolarHBondContact O-CB 3.39Å; E44-L48 PolarHBondContact O-N 2.81Å; L48-K50 PolarHBondContact O-N 3.35Å; L48-M51 HydrophobicContact CD1-CE 4.16Å; L48-M51 PolarHBondContact O-N 3.25Å; L48-L52 HydrophobicContact CD1-CD1 3.81Å; L48-L52 HydrophobicContact CD1-CD2 4.33Å; L48-L52 HydrophobicContact CD1-CG 3.81Å; L48-L52 HydrophobicContact CD2-CD1 4.21Å; L48-L52 HydrophobicContact CG-CD1 3.67Å; L48-L52 HydrophobicContact CG-CG 4.1Å; L48-L52 WeakPolarHBondContact O-CB 3.16Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.39Å; L48-V75 HydrophobicContact CD1-CG1 4.35Å; L48-V75 HydrophobicContact CD2-CG1 4.01Å; L48-T84 HydrophobicContact CD2-CG2 3.9Å; L48-V87 HydrophobicContact CD2-CG1 4.26Å; L48-A88 HydrophobicContact CD2-CB 4.25Å; L48-A132 HydrophobicContact CD1-CB 4.24Å
49P97.8Very high97.3Very high33 Ų3337.6 Ų37.621%0.21419%0.193CC..Hα-helixtrans-57.8-46.5178-24.533000113.2E45 M51 L52 D53 V87 Y91E45-P49 VanDerWaalsContact O-CD 3.24Å; E45-P49 WeakPolarHBondContact O-CD 3.4Å; E45-P49 WeakPolarHBondContact O-CG 3.22Å; P49-M51 VanDerWaalsContact C-N 3.33Å; P49-M51 PolarHBondContact O-N 2.99Å; P49-L52 PolarHBondContact O-N 3.16Å; P49-D53 WeakPolarHBondContact O-CB 3.33Å; P49-D53 VanDerWaalsContact O-CG 3.27Å; P49-D53 PolarHBondContact O-N 2.99Å; P49-V87 HydrophobicContact CG-CG1 3.71Å; P49-Y91 WeakPolarHBondContact CA-OH 3.3Å; P49-Y91 HydrophobicContact CB-CE2 4.21Å; P49-Y91 PolarHBondContact O-OH 2.98Å; P49-Y91 VanDerWaalsContact O-OH 3.1Å
50K96.1Very high97.3Very high144 Ų14439 Ų3963%0.62620%0.2SC*.Hα-helixtrans-61.9-43.7-179.1-176-173.4174.8-164.40111R47 L48 E54R47-K50 PolarHBondContact O-N 3.25Å; L48-K50 PolarHBondContact O-N 3.35Å; K50-E54 PolarHBondContact O-N 3.43Å
51M96.5Very high97.2Very high3 Ų340.7 Ų40.72%0.01521%0.213CC..Hα-helixtrans-65.1-46.9177-171.9-75.5-80.800110.9V39 R47 L48 P49 D53 E54 C55 A132 G134 F138V39-M51 HydrophobicContact CB-CE 3.94Å; V39-M51 HydrophobicContact CG1-CE 3.1Å; V39-M51 HydrophobicContact CG2-CE 3.55Å; R47-M51 PolarHBondContact O-N 2.92Å; L48-M51 HydrophobicContact CD1-CE 4.16Å; L48-M51 PolarHBondContact O-N 3.25Å; P49-M51 VanDerWaalsContact C-N 3.33Å; P49-M51 PolarHBondContact O-N 2.99Å; M51-D53 PolarHBondContact O-N 2.94Å; M51-E54 PolarHBondContact O-N 3.49Å; M51-C55 VanDerWaalsContact O-CB 3.26Å; M51-C55 WeakPolarHBondContact O-CB 3.26Å; M51-C55 PolarHBondContact O-N 3.29Å; M51-C55 HydrophobicContact SD-CB 4.04Å; M51-A132 WeakPolarHBondContact CB-O 3.21Å; M51-G134 VanDerWaalsContact CG-CA 3.4Å; M51-F138 HydrophobicContact CG-CE2 4.3Å; M51-F138 HydrophobicContact SD-CE2 3.58Å; M51-F138 VanDerWaalsContact SD-CE2 3.58Å; M51-F138 HydrophobicContact SD-CZ 3.9Å
52L98.6Very high97.2Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-63.8-39.2179.8-71.5174.5000112.4L48 P49 E54 L56 V73 V75 Y91L48-L52 HydrophobicContact CD1-CD1 3.81Å; L48-L52 HydrophobicContact CD1-CD2 4.33Å; L48-L52 HydrophobicContact CD1-CG 3.81Å; L48-L52 HydrophobicContact CD2-CD1 4.21Å; L48-L52 HydrophobicContact CG-CD1 3.67Å; L48-L52 HydrophobicContact CG-CG 4.1Å; L48-L52 WeakPolarHBondContact O-CB 3.16Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.39Å; P49-L52 PolarHBondContact O-N 3.16Å; L52-E54 PolarHBondContact O-N 3.04Å; L52-L56 HydrophobicContact CB-CD1 4.42Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.44Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 3.3Å; L52-V73 HydrophobicContact CD2-CG1 4.09Å; L52-V75 HydrophobicContact CD1-CG2 4.27Å; L52-V75 HydrophobicContact CD2-CG2 3.99Å; L52-Y91 HydrophobicContact CB-CD1 3.96Å; L52-Y91 HydrophobicContact CB-CE1 3.68Å; L52-Y91 HydrophobicContact CB-CE2 4.42Å; L52-Y91 HydrophobicContact CB-CG 4.45Å; L52-Y91 HydrophobicContact CD1-CD1 4.12Å; L52-Y91 HydrophobicContact CD1-CD2 3.71Å; L52-Y91 HydrophobicContact CD1-CE1 4.41Å; L52-Y91 HydrophobicContact CD1-CE2 4.04Å; L52-Y91 HydrophobicContact CD1-CG 3.77Å
53D98.3Very high97.2Very high72 Ų7240.1 Ų40.139%0.38521%0.214SC..Hα-helixtrans-61.5-43.6176.6-73.9-18000111.5P49 M51 S57 Y91P49-D53 WeakPolarHBondContact O-CB 3.33Å; P49-D53 VanDerWaalsContact O-CG 3.27Å; P49-D53 PolarHBondContact O-N 2.99Å; M51-D53 PolarHBondContact O-N 2.94Å; D53-S57 WeakPolarHBondContact O-CB 3.44Å; D53-S57 PolarHBondContact O-N 3.46Å; D53-Y91 WeakPolarHBondContact OD1-CE1 3.49Å; D53-Y91 VanDerWaalsContact OD1-CZ 3.31Å; D53-Y91 PolarHBondContact OD1-OH 2.96Å; D53-Y91 PolarHBondContact OD2-OH 2.57Å
54E97.5Very high97.2Very high67 Ų6746.6 Ų46.631%0.31324%0.243SC..Hα-helixtrans-68.9-47.1177.7-174.9-102.615700112K50 M51 L52 L56 S57 Y58 F138K50-E54 PolarHBondContact O-N 3.43Å; M51-E54 PolarHBondContact O-N 3.49Å; L52-E54 PolarHBondContact O-N 3.04Å; E54-L56 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-N 2.94Å; E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 2.95Å; E54-F138 WeakPolarHBondContact OE1-CB 3.38Å; E54-F138 PolarHBondContact OE1-N 3.37Å; E54-F138 VanDerWaalsContact OE2-CD2 3.24Å; E54-F138 WeakPolarHBondContact OE2-CD2 3.4Å
55C98.6Very high97.3Very high0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-52.5-53.1172.8173.60000111.6M51 Y58 L59 F138M51-C55 VanDerWaalsContact O-CB 3.26Å; M51-C55 WeakPolarHBondContact O-CB 3.26Å; M51-C55 PolarHBondContact O-N 3.29Å; M51-C55 HydrophobicContact SD-CB 4.04Å; C55-Y58 PolarHBondContact O-N 2.96Å; C55-L59 WeakPolarHBondContact O-CB 3.23Å; C55-L59 VanDerWaalsContact O-CG 3.28Å; C55-L59 WeakPolarHBondContact O-CG 3.38Å; C55-L59 PolarHBondContact O-N 2.93Å; C55-F138 HydrophobicContact CB-CD1 4.12Å; C55-F138 HydrophobicContact CB-CD2 3.83Å; C55-F138 HydrophobicContact CB-CE1 3.87Å; C55-F138 HydrophobicContact CB-CE2 3.54Å; C55-F138 HydrophobicContact CB-CG 4.09Å; C55-F138 HydrophobicContact CB-CZ 3.55Å; C55-F138 WeakPolarHBondContact SG-CE1 3.38Å; C55-F138 WeakPolarHBondContact SG-CZ 3.38Å
56L98.5Very high97.3Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-71.7-35-176.5-67.6168.2000112.2L52 E54 Y58 N60 Y71 V73 Y91 Y95 I100L52-L56 HydrophobicContact CB-CD1 4.42Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.44Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 3.3Å; E54-L56 PolarHBondContact O-N 3.49Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 3.43Å; L56-N60 PolarHBondContact O-ND2 3.18Å; L56-Y71 HydrophobicContact CD2-CE2 4.06Å; L56-V73 HydrophobicContact CD2-CG2 4.1Å; L56-Y91 HydrophobicContact CD1-CD1 3.62Å; L56-Y91 HydrophobicContact CD1-CE1 4.04Å; L56-Y95 HydrophobicContact CB-CE1 4.36Å; L56-Y95 HydrophobicContact CD1-CD1 4.45Å; L56-Y95 HydrophobicContact CD1-CD2 3.81Å; L56-Y95 HydrophobicContact CD1-CE1 4.22Å; L56-Y95 HydrophobicContact CD1-CE2 3.55Å; L56-Y95 HydrophobicContact CD1-CG 4.26Å; L56-I100 HydrophobicContact CD1-CD1 4.15Å; L56-I100 HydrophobicContact CD2-CD1 3.39Å; L56-I100 HydrophobicContact CD2-CG1 4.48Å; L56-I100 HydrophobicContact CG-CD1 4.33Å
57S98.1Very high97.2Very high76 Ų7655.5 Ų55.553%0.53128%0.277SS..Hα-helixtrans-56.9-51.9171.3-176.50000109.9D53 E54 S61D53-S57 WeakPolarHBondContact O-CB 3.44Å; D53-S57 PolarHBondContact O-N 3.46Å; E54-S57 PolarHBondContact O-N 2.94Å; S57-S61 WeakPolarHBondContact O-CB 3.4Å; S57-S61 PolarHBondContact O-N 2.94Å; S57-S61 PolarHBondContact O-OG 3.47Å; S57-S61 VanDerWaalsContact O-OG 3.05Å
58Y98.4Very high97.2Very high28 Ų2857 Ų5711%0.1130%0.298CS..Hα-helixtrans-62.3-51-179.7174.4-100.4000112.8E54 C55 L56 N60 S61 R62 F138 L141 E142E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 2.95Å; C55-Y58 PolarHBondContact O-N 2.96Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; Y58-N60 PolarHBondContact O-N 3.44Å; Y58-S61 PolarHBondContact O-N 3.36Å; Y58-R62 PolarHBondContact O-N 3.3Å; Y58-F138 HydrophobicContact CD1-CB 3.76Å; Y58-F138 HydrophobicContact CE1-CB 4.44Å; Y58-F138 VanDerWaalsContact CE1-O 3.23Å; Y58-F138 WeakPolarHBondContact CE1-O 3.49Å; Y58-F138 HydrophobicContact CG-CB 3.95Å; Y58-L141 HydrophobicContact CE1-CB 4.18Å; Y58-L141 HydrophobicContact CE1-CD2 4.13Å; Y58-E142 WeakPolarHBondContact OH-CG 3.23Å; Y58-E142 PolarHBondContact OH-OE1 3.01Å
59L98.5Very high97.3Very high0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-66.1-37.2-177-65.6178.1000112.4L35 V37 C55 R62 A63 F69 Y71 V73 L141L35-L59 HydrophobicContact CD2-CD2 3.7Å; V37-L59 HydrophobicContact CG2-CD1 3.93Å; C55-L59 WeakPolarHBondContact O-CB 3.23Å; C55-L59 VanDerWaalsContact O-CG 3.28Å; C55-L59 WeakPolarHBondContact O-CG 3.38Å; C55-L59 PolarHBondContact O-N 2.93Å; L59-R62 PolarHBondContact O-N 3.48Å; L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 3.3Å; L59-F69 HydrophobicContact CD2-CE1 4.23Å; L59-F69 HydrophobicContact CD2-CZ 4.14Å; L59-Y71 HydrophobicContact CB-CD1 3.88Å; L59-Y71 HydrophobicContact CB-CD2 3.97Å; L59-Y71 HydrophobicContact CB-CE1 3.69Å; L59-Y71 HydrophobicContact CB-CE2 3.8Å; L59-Y71 HydrophobicContact CB-CG 4.01Å; L59-Y71 HydrophobicContact CD1-CD2 3.49Å; L59-Y71 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y71 HydrophobicContact CD1-CE2 3.77Å; L59-Y71 HydrophobicContact CD1-CG 4.04Å; L59-Y71 HydrophobicContact CG-CD2 4.29Å; L59-Y71 HydrophobicContact CG-CE2 4.45Å; L59-Y71 HydrophobicContact CG-CG 4.46Å; L59-V73 HydrophobicContact CD1-CG2 4.08Å; L59-L141 HydrophobicContact CD2-CD2 4.43Å
60N97.6Very high97.3Very high28 Ų2858.6 Ų58.615%0.1531%0.306CS..Hα-helixtrans-66.7-42.5173.3-73.9-46.4000111.8L56 Y58 R62 A63 Q64 Y71 R99L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 3.43Å; L56-N60 PolarHBondContact O-ND2 3.18Å; Y58-N60 PolarHBondContact O-N 3.44Å; N60-R62 VanDerWaalsContact C-N 3.27Å; N60-R62 PolarHBondContact O-N 3.44Å; N60-A63 PolarHBondContact O-N 2.98Å; N60-Q64 VanDerWaalsContact O-CG 3.28Å; N60-Q64 WeakPolarHBondContact O-CG 3.31Å; N60-Q64 PolarHBondContact O-N 3.45Å; N60-Y71 VanDerWaalsContact CG-OH 3.26Å; N60-Y71 PolarHBondContact OD1-OH 3.02Å; N60-R99 PolarHBondContact OD1-NH1 3.43Å
61S98.1Very high97.4Very high50 Ų5052.3 Ų52.335%0.3528%0.278SS..Hα-helixtrans-61.8-36174.9-66.90000112.1S57 Y58 R65S57-S61 WeakPolarHBondContact O-CB 3.4Å; S57-S61 PolarHBondContact O-N 2.94Å; S57-S61 PolarHBondContact O-OG 3.47Å; S57-S61 VanDerWaalsContact O-OG 3.05Å; Y58-S61 PolarHBondContact O-N 3.36Å; S61-R65 WeakPolarHBondContact O-CG 3.39Å; S61-R65 PolarHBondContact O-N 2.91Å; S61-R65 PolarHBondContact O-NE 3.17Å
62R97.5Very high97.5Very high40 Ų4052.1 Ų52.115%0.15128%0.277CS..Hα-helixtrans-66.7-49.3173.3-176.4172.7171.8172.5-5.3112Y58 L59 N60 Q64 R65 D66 F69 E145Y58-R62 PolarHBondContact O-N 3.3Å; L59-R62 PolarHBondContact O-N 3.48Å; N60-R62 VanDerWaalsContact C-N 3.27Å; N60-R62 PolarHBondContact O-N 3.44Å; R62-Q64 PolarHBondContact O-N 3.48Å; R62-R65 PolarHBondContact O-N 3.37Å; R62-D66 PolarHBondContact O-N 3.09Å; R62-F69 HydrophobicContact CB-CD1 4.06Å; R62-F69 HydrophobicContact CB-CE1 4.07Å; R62-F69 HydrophobicContact CG-CD1 3.6Å; R62-F69 HydrophobicContact CG-CD2 4.48Å; R62-F69 HydrophobicContact CG-CE1 3.83Å; R62-F69 HydrophobicContact CG-CG 3.94Å; R62-F69 HydrophobicContact CG-CZ 4.37Å; R62-F69 VanDerWaalsContact NE-CE2 3.35Å; R62-E145 IonicContact CZ-OE1 2.63Å; R62-E145 VanDerWaalsContact CZ-OE1 3.31Å; R62-E145 IonicContact CZ-OE2 3.88Å; R62-E145 IonicContact NH1-OE1 2.76Å; R62-E145 PolarHBondContact NH1-OE1 3.18Å; R62-E145 IonicContact NH1-OE2 2.95Å; R62-E145 PolarHBondContact NH1-OE2 2.96Å; R62-E145 IonicContact NH2-OE1 2.99Å; R62-E145 PolarHBondContact NH2-OE1 3.22Å; R62-E145 IonicContact NH2-OE2 2.72Å; R62-E145 PolarHBondContact NH2-OE2 2.87Å
63A96.7Very high97.5Very high24 Ų2452.1 Ų52.120%0.19828%0.277CS..Hα-helixtrans-62.2-24178.600000113.6L59 N60 F69 Y71L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 3.3Å; N60-A63 PolarHBondContact O-N 2.98Å; A63-F69 HydrophobicContact CB-CD1 4.16Å; A63-Y71 HydrophobicContact CB-CD1 4.47Å; A63-Y71 HydrophobicContact CB-CE1 4.29Å
64Q96.9Very high97.6Very high155 Ų15548.7 Ų48.772%0.72426%0.259SS*.Hα-helixtrans-78.7-24172.5-74.5171.9-4.200113.7N60 R62N60-Q64 VanDerWaalsContact O-CG 3.28Å; N60-Q64 WeakPolarHBondContact O-CG 3.31Å; N60-Q64 PolarHBondContact O-N 3.45Å; R62-Q64 PolarHBondContact O-N 3.48Å
65R96.7Very high97.6Very high176 Ų17645.5 Ų45.566%0.66424%0.244SC*.Hα-helixtrans-92.4-22.7179.3-68.3-178.7-59.2-177.310.1112.5S61 R62 E142S61-R65 WeakPolarHBondContact O-CG 3.39Å; S61-R65 PolarHBondContact O-N 2.91Å; S61-R65 PolarHBondContact O-NE 3.17Å; R62-R65 PolarHBondContact O-N 3.37Å; R65-E142 IonicContact NH2-OE1 3.37Å
66D95.7Very high97.6Very high76 Ų7645.5 Ų45.541%0.40624%0.244SC..  trans-135.399.2179.8179.94.4000109R62 A68 F69R62-D66 PolarHBondContact O-N 3.09Å; D66-A68 PolarHBondContact O-N 3.28Å; D66-A68 VanDerWaalsContact O-N 3.15Å; D66-A68 WeakPolarHBondContact OD1-CB 3.47Å; D66-A68 PolarHBondContact OD1-N 3.1Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; D66-F69 HydrophobicContact CB-CB 3.97Å; D66-F69 WeakPolarHBondContact O-CB 3.1Å; D66-F69 PolarHBondContact O-N 2.69Å
67D93.3Very high97.6Very high156 Ų15645.6 Ų45.683%0.83424%0.244SC*.THydrogen-bonded Turntrans-61.4-21-179-71.4-25.2000112.8
68A95Very high97.6Very high70 Ų7042.1 Ų42.158%0.57922%0.22SC*.THydrogen-bonded Turntrans-80.5-20.6176.100000112.1D66 T70D66-A68 PolarHBondContact O-N 3.28Å; D66-A68 VanDerWaalsContact O-N 3.15Å; D66-A68 WeakPolarHBondContact OD1-CB 3.47Å; D66-A68 PolarHBondContact OD1-N 3.1Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; A68-T70 PolarHBondContact O-N 3.16Å
69F98.1Very high97.5Very high11 Ų1141.7 Ų41.75%0.04822%0.224CC..  trans-76.7113.7-176.9-179.7-102.2000112D34 L35 L59 R62 A63 D66 Y71D34-F69 HydrophobicContact CB-CD2 4.04Å; D34-F69 HydrophobicContact CB-CE2 4.25Å; L35-F69 HydrophobicContact CB-CE2 4.01Å; L35-F69 HydrophobicContact CB-CZ 4Å; L35-F69 HydrophobicContact CD2-CZ 3.93Å; L59-F69 HydrophobicContact CD2-CE1 4.23Å; L59-F69 HydrophobicContact CD2-CZ 4.14Å; R62-F69 HydrophobicContact CB-CD1 4.06Å; R62-F69 HydrophobicContact CB-CE1 4.07Å; R62-F69 HydrophobicContact CG-CD1 3.6Å; R62-F69 HydrophobicContact CG-CD2 4.48Å; R62-F69 HydrophobicContact CG-CE1 3.83Å; R62-F69 HydrophobicContact CG-CG 3.94Å; R62-F69 HydrophobicContact CG-CZ 4.37Å; R62-F69 VanDerWaalsContact NE-CE2 3.35Å; A63-F69 HydrophobicContact CB-CD1 4.16Å; D66-F69 HydrophobicContact CB-CB 3.97Å; D66-F69 WeakPolarHBondContact O-CB 3.1Å; D66-F69 PolarHBondContact O-N 2.69Å; F69-Y71 HydrophobicContact CD1-CD1 4.45Å; F69-Y71 AromaticContact CE1-CD1 3.93Å; F69-Y71 HydrophobicContact CE1-CD1 3.93Å; F69-Y71 HydrophobicContact CE1-CG 4.33Å
70T98.4Very high97.5Very high54 Ų5442.6 Ų42.633%0.33123%0.23SC..  trans-117.2141.7177.660.10000111.1L33 D34 L35 A68L33-T70 WeakPolarHBondContact CA-OG1 3.4Å; D34-T70 WeakPolarHBondContact CA-O 3.32Å; D34-T70 VanDerWaalsContact CB-O 3.31Å; D34-T70 WeakPolarHBondContact CB-O 3.29Å; D34-T70 PolarHBondContact N-O 2.91Å; D34-T70 PolarHBondContact N-OG1 2.83Å; D34-T70 VanDerWaalsContact N-OG1 3.1Å; D34-T70 PolarHBondContact OD2-N 2.99Å; D34-T70 PolarHBondContact OD2-OG1 3.21Å; L35-T70 PolarHBondContact N-O 2.81Å; A68-T70 PolarHBondContact O-N 3.16Å
71Y98.6Very high97.4Very high12 Ų1249.1 Ų49.15%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-142.9163.9-177.175.9-90.2000112.8L35 L56 L59 N60 A63 F69 V73L35-Y71 CarbonylContact O-C 3.59Å; L35-Y71 WeakPolarHBondContact O-CA 3.43Å; L56-Y71 HydrophobicContact CD2-CE2 4.06Å; L59-Y71 HydrophobicContact CB-CD1 3.88Å; L59-Y71 HydrophobicContact CB-CD2 3.97Å; L59-Y71 HydrophobicContact CB-CE1 3.69Å; L59-Y71 HydrophobicContact CB-CE2 3.8Å; L59-Y71 HydrophobicContact CB-CG 4.01Å; L59-Y71 HydrophobicContact CD1-CD2 3.49Å; L59-Y71 VanDerWaalsContact CD1-CD2 3.49Å; L59-Y71 HydrophobicContact CD1-CE2 3.77Å; L59-Y71 HydrophobicContact CD1-CG 4.04Å; L59-Y71 HydrophobicContact CG-CD2 4.29Å; L59-Y71 HydrophobicContact CG-CE2 4.45Å; L59-Y71 HydrophobicContact CG-CG 4.46Å; N60-Y71 VanDerWaalsContact CG-OH 3.26Å; N60-Y71 PolarHBondContact OD1-OH 3.02Å; A63-Y71 HydrophobicContact CB-CD1 4.47Å; A63-Y71 HydrophobicContact CB-CE1 4.29Å; F69-Y71 HydrophobicContact CD1-CD1 4.45Å; F69-Y71 AromaticContact CE1-CD1 3.93Å; F69-Y71 HydrophobicContact CE1-CD1 3.93Å; F69-Y71 HydrophobicContact CE1-CG 4.33Å; Y71-V73 HydrophobicContact CD2-CG2 4.38Å; Y71-V73 HydrophobicContact CE2-CG2 4.32Å
72E98.7Very high97.4Very high0 Ų048.8 Ų48.80%026%0.258CS..EExtended strand (participates in β ladder)trans-138.9159.5162.163.8173.3164.700111.6L33 L35 T36 V37 R99 R101 R123L33-E72 HydrophobicContact CD1-CB 3.63Å; L33-E72 HydrophobicContact CD1-CG 3.63Å; L35-E72 PolarHBondContact O-N 2.84Å; T36-E72 WeakPolarHBondContact CA-O 3.25Å; T36-E72 HydrophobicContact CG2-CG 3.85Å; T36-E72 WeakPolarHBondContact OG1-CG 3.46Å; T36-E72 PolarHBondContact OG1-OE1 3.17Å; V37-E72 PolarHBondContact N-O 3.37Å; E72-R99 CarbonylContact C-O 3.59Å; E72-R99 VanDerWaalsContact CA-O 3.26Å; E72-R99 WeakPolarHBondContact CA-O 3.21Å; E72-R101 IonicContact OE1-NH2 3.84Å; E72-R101 PolarHBondContact OE1-NH2 2.89Å; E72-R101 IonicContact OE2-CZ 2.69Å; E72-R101 IonicContact OE2-NE 2.7Å; E72-R101 PolarHBondContact OE2-NE 2.95Å; E72-R101 IonicContact OE2-NH2 3.5Å; E72-R101 PolarHBondContact OE2-NH2 2.92Å; E72-R123 WeakPolarHBondContact OE1-CB 3.36Å; E72-R123 PolarHBondContact OE1-N 2.89Å; E72-R123 IonicContact OE1-NE 3.22Å; E72-R123 IonicContact OE2-CZ 3.53Å; E72-R123 VanDerWaalsContact OE2-CZ 3.28Å; E72-R123 IonicContact OE2-NE 3.63Å; E72-R123 PolarHBondContact OE2-NE 3.5Å; E72-R123 IonicContact OE2-NH2 2.91Å; E72-R123 PolarHBondContact OE2-NH2 3.21Å
73V98.9Very high97.4Very high0 Ų048.9 Ų48.90%027%0.268CS..EExtended strand (participates in β ladder)trans-117.7128.4167.4-172.20000108.4V37 V39 L52 L56 L59 Y71 V75 R99 I100 R101V37-V73 HydrophobicContact CB-CG1 4.38Å; V37-V73 HydrophobicContact CB-CG2 4.29Å; V37-V73 CarbonylContact O-C 3.49Å; V37-V73 WeakPolarHBondContact O-CA 3.22Å; V39-V73 HydrophobicContact CG2-CG1 3.77Å; L52-V73 HydrophobicContact CD2-CG1 4.09Å; L56-V73 HydrophobicContact CD2-CG2 4.1Å; L59-V73 HydrophobicContact CD1-CG2 4.08Å; Y71-V73 HydrophobicContact CD2-CG2 4.38Å; Y71-V73 HydrophobicContact CE2-CG2 4.32Å; V73-V75 HydrophobicContact CG1-CG2 4.36Å; V73-R99 PolarHBondContact N-O 2.8Å; V73-I100 HydrophobicContact CB-CD1 3.67Å; V73-I100 HydrophobicContact CG2-CD1 3.79Å; V73-I100 WeakPolarHBondContact O-CA 3.01Å; V73-R101 PolarHBondContact O-N 3.16Å
74I98.9Very high97.4Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-109.6107.9171.1-54.3-179.5000107.7F24 T36 V37 I38 V39 V76 R101 L103 C121F24-I74 HydrophobicContact CE1-CD1 4.46Å; F24-I74 HydrophobicContact CE1-CG2 4.38Å; T36-I74 HydrophobicContact CG2-CD1 3.85Å; T36-I74 HydrophobicContact CG2-CG1 4.03Å; V37-I74 PolarHBondContact O-N 2.88Å; I38-I74 HydrophobicContact CD1-CB 3.78Å; I38-I74 HydrophobicContact CD1-CD1 3.87Å; I38-I74 HydrophobicContact CD1-CG1 4.12Å; I38-I74 HydrophobicContact CD1-CG2 4.5Å; V39-I74 PolarHBondContact N-O 2.96Å; I74-V76 HydrophobicContact CG2-CG2 4.12Å; I74-R101 CarbonylContact C-O 3.48Å; I74-R101 VanDerWaalsContact CA-O 3.31Å; I74-R101 WeakPolarHBondContact CA-O 3.4Å; I74-L103 HydrophobicContact CG2-CB 4.23Å; I74-C121 HydrophobicContact CD1-CB 4.15Å
75V98.9Very high97.5Very high0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-83.2122.4170-175.60000108.1V39 S41 L48 L52 V73 A88 R101 V102 L103V39-V75 HydrophobicContact CB-CG2 4.43Å; S41-V75 WeakPolarHBondContact OG-CG1 3.26Å; L48-V75 HydrophobicContact CD1-CG1 4.35Å; L48-V75 HydrophobicContact CD2-CG1 4.01Å; L52-V75 HydrophobicContact CD1-CG2 4.27Å; L52-V75 HydrophobicContact CD2-CG2 3.99Å; V73-V75 HydrophobicContact CG1-CG2 4.36Å; V75-A88 HydrophobicContact CB-CB 3.98Å; V75-A88 HydrophobicContact CG1-CB 3.71Å; V75-A88 HydrophobicContact CG2-CB 4.31Å; V75-R101 PolarHBondContact N-O 3.33Å; V75-V102 CarbonylContact O-C 3.51Å; V75-V102 WeakPolarHBondContact O-CA 3.38Å; V75-L103 PolarHBondContact O-N 3.21Å
76V98.8Very high97.6Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-104.7103178.9-171.50000108.6I38 V39 S41 I74 D78 L103 L105 A114I38-V76 HydrophobicContact CG2-CG2 3.99Å; V39-V76 PolarHBondContact O-N 2.94Å; S41-V76 PolarHBondContact N-O 3.39Å; I74-V76 HydrophobicContact CG2-CG2 4.12Å; V76-D78 PolarHBondContact O-N 2.87Å; V76-L103 CarbonylContact C-O 3.48Å; V76-L103 WeakPolarHBondContact CA-O 3.34Å; V76-L103 HydrophobicContact CG1-CB 4.37Å; V76-L103 HydrophobicContact CG1-CD2 3.96Å; V76-L103 HydrophobicContact CG1-CG 4.13Å; V76-L103 HydrophobicContact CG2-CB 4.33Å; V76-L103 HydrophobicContact CG2-CD2 4.21Å; V76-L105 HydrophobicContact CG1-CD1 4.02Å; V76-L105 HydrophobicContact CG1-CD2 4.13Å; V76-L105 HydrophobicContact CG1-CG 3.88Å; V76-A114 HydrophobicContact CB-CB 4.28Å; V76-A114 HydrophobicContact CG1-CB 3.83Å
77D98.7Very high97.7Very high1 Ų136.1 Ų36.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-76.6105.8172.5173.442.5000109.8G79 S80 Y85 L103 L105D77-G79 PolarHBondContact O-N 2.79Å; D77-S80 WeakPolarHBondContact OD1-CB 3.26Å; D77-S80 PolarHBondContact OD1-N 3.07Å; D77-S80 PolarHBondContact OD1-OG 3.47Å; D77-Y85 HydrophobicContact CB-CD2 3.99Å; D77-Y85 WeakPolarHBondContact OD2-CB 3.29Å; D77-L103 PolarHBondContact N-O 2.67Å; D77-L105 WeakPolarHBondContact O-CB 3.42Å; D77-L105 PolarHBondContact O-N 3.18Å
78D97.7Very high98Very high4 Ų428.7 Ų28.72%0.02117%0.169CC..  trans-85.648.6-177.2-170.729.3000111.8S41 K42 V76 L105 N108 R109 G110 A114S41-D78 PolarHBondContact O-N 3.14Å; K42-D78 HydrophobicContact CB-CB 4.25Å; V76-D78 PolarHBondContact O-N 2.87Å; D78-L105 HydrophobicContact CB-CD1 4.4Å; D78-L105 WeakPolarHBondContact OD1-CD1 3.41Å; D78-N108 VanDerWaalsContact O-CA 3.23Å; D78-N108 WeakPolarHBondContact O-CA 3.4Å; D78-N108 VanDerWaalsContact O-CB 3.28Å; D78-N108 WeakPolarHBondContact O-CB 2.87Å; D78-N108 WeakPolarHBondContact OD1-CA 3.33Å; D78-N108 PolarHBondContact OD2-OD1 2.81Å; D78-N108 VanDerWaalsContact OD2-OD1 3.11Å; D78-R109 PolarHBondContact OD1-N 3.12Å; D78-G110 PolarHBondContact OD1-N 2.8Å; D78-G110 WeakPolarHBondContact OD2-CA 3.37Å; D78-G110 PolarHBondContact OD2-N 3.29Å; D78-A114 HydrophobicContact CB-CB 3.96Å
79G96.7Very high98.1Very high19 Ų1926 Ų2620%0.19615%0.145CC..SBendtrans69.747.4179.700000113.5D77D77-G79 PolarHBondContact O-N 2.79Å
80S97.4Very high98.1Very high18 Ų1828.2 Ų28.213%0.12616%0.158CC..  trans-62.9147.8176.1-52.30000112.1K42 D43 D77 T84K42-S80 WeakPolarHBondContact CA-OG 3.34Å; D43-S80 PolarHBondContact N-OG 3.35Å; D43-S80 VanDerWaalsContact OD1-CA 3.28Å; D43-S80 WeakPolarHBondContact OD1-CA 3.17Å; D77-S80 WeakPolarHBondContact OD1-CB 3.26Å; D77-S80 PolarHBondContact OD1-N 3.07Å; D77-S80 PolarHBondContact OD1-OG 3.47Å; S80-T84 WeakPolarHBondContact OG-CB 3.16Å
81L96.6Very high98.1Very high165 Ų16526.1 Ų26.186%0.86414%0.144SC*.SBendtrans-99.6-11.9175.3-59-179.8000112.7D43D43-L81 PolarHBondContact OD1-N 3.37Å
82D96.2Very high98.1Very high43 Ų4325.6 Ų25.623%0.2314%0.142CC..SBendtrans-98.2-166.1176.874.7-0.5000112D43 E44 E45 T84D43-D82 VanDerWaalsContact CA-CG 3.48Å; D43-D82 WeakPolarHBondContact CA-OD1 3.49Å; D43-D82 WeakPolarHBondContact CA-OD2 3.18Å; E44-D82 PolarHBondContact N-OD2 3.49Å; E45-D82 HydrophobicContact CB-CB 4.46Å; E45-D82 WeakPolarHBondContact CB-OD2 3.34Å; E45-D82 HydrophobicContact CG-CB 4.3Å; E45-D82 WeakPolarHBondContact CG-OD2 3.22Å; E45-D82 PolarHBondContact N-OD2 3.33Å; E45-D82 WeakPolarHBondContact OE2-CB 3.4Å; D82-T84 VanDerWaalsContact CG-OG1 3.31Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 WeakPolarHBondContact OD1-CB 3.37Å; D82-T84 PolarHBondContact OD1-N 3.47Å; D82-T84 PolarHBondContact OD1-OG1 3.38Å; D82-T84 PolarHBondContact OD2-OG1 3.5Å
83A97.8Very high98.1Very high43 Ų4330.7 Ų30.736%0.35516%0.161SC..THydrogen-bonded Turntrans-78.58.2-177.900000114.8E45 Y85 Q86 V87E45-A83 HydrophobicContact CB-CB 4.28Å; E45-A83 VanDerWaalsContact OE2-CB 3.25Å; E45-A83 WeakPolarHBondContact OE2-CB 3.25Å; E45-A83 PolarHBondContact OE2-N 3.11Å; A83-Y85 VanDerWaalsContact C-N 3.29Å; A83-Y85 PolarHBondContact O-N 3.16Å; A83-Y85 VanDerWaalsContact O-N 3.16Å; A83-Q86 WeakPolarHBondContact O-CA 3.41Å; A83-Q86 WeakPolarHBondContact O-CB 2.92Å; A83-Q86 PolarHBondContact O-N 3.15Å; A83-V87 WeakPolarHBondContact O-CG2 3.36Å; A83-V87 PolarHBondContact O-N 2.92Å
84T98.2Very high98Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-49.3-46.4-175.6-63.80000113.3E44 E45 L48 S80 D82 Q86 V87 A88E44-T84 HydrophobicContact CB-CG2 4.37Å; E44-T84 PolarHBondContact N-OG1 3.04Å; E45-T84 PolarHBondContact N-OG1 3.37Å; E45-T84 VanDerWaalsContact N-OG1 3.09Å; L48-T84 HydrophobicContact CD2-CG2 3.9Å; S80-T84 WeakPolarHBondContact OG-CB 3.16Å; D82-T84 VanDerWaalsContact CG-OG1 3.31Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 WeakPolarHBondContact OD1-CB 3.37Å; D82-T84 PolarHBondContact OD1-N 3.47Å; D82-T84 PolarHBondContact OD1-OG1 3.38Å; D82-T84 PolarHBondContact OD2-OG1 3.5Å; T84-Q86 VanDerWaalsContact C-N 3.35Å; T84-Q86 PolarHBondContact O-N 3.42Å; T84-V87 PolarHBondContact O-N 3.4Å; T84-A88 PolarHBondContact O-N 3.24Å
85Y98.3Very high97.9Very high47 Ų4741.3 Ų41.318%0.18420%0.202CC..Hα-helixtrans-62.2-42.6178.6-178.7-115.1000112.3D77 A83 A88 L89 V102 K104D77-Y85 HydrophobicContact CB-CD2 3.99Å; D77-Y85 WeakPolarHBondContact OD2-CB 3.29Å; A83-Y85 VanDerWaalsContact C-N 3.29Å; A83-Y85 PolarHBondContact O-N 3.16Å; A83-Y85 VanDerWaalsContact O-N 3.16Å; Y85-A88 PolarHBondContact O-N 3.39Å; Y85-L89 HydrophobicContact CD1-CD1 4Å; Y85-L89 HydrophobicContact CE1-CD1 3.45Å; Y85-L89 VanDerWaalsContact CE1-CD1 3.45Å; Y85-L89 HydrophobicContact CE1-CG 4.18Å; Y85-L89 HydrophobicContact CE2-CD1 4.4Å; Y85-L89 HydrophobicContact CE2-CD2 4.46Å; Y85-L89 HydrophobicContact CE2-CG 4.28Å; Y85-L89 WeakPolarHBondContact O-CG 3.44Å; Y85-L89 PolarHBondContact O-N 3.1Å; Y85-V102 HydrophobicContact CD2-CG1 3.59Å; Y85-V102 HydrophobicContact CE2-CB 4.21Å; Y85-V102 HydrophobicContact CE2-CG1 3.48Å; Y85-V102 VanDerWaalsContact CE2-CG1 3.48Å; Y85-K104 HydrophobicContact CD1-CD 4.1Å; Y85-K104 HydrophobicContact CD2-CB 4.08Å; Y85-K104 HydrophobicContact CD2-CD 3.92Å; Y85-K104 HydrophobicContact CD2-CG 4.23Å; Y85-K104 HydrophobicContact CE1-CD 4.01Å; Y85-K104 HydrophobicContact CE2-CB 3.67Å; Y85-K104 HydrophobicContact CE2-CD 3.87Å; Y85-K104 HydrophobicContact CE2-CG 4.21Å; Y85-K104 HydrophobicContact CG-CD 4.05Å
86Q98.3Very high97.8Very high90 Ų9042.8 Ų42.842%0.42122%0.217SC..Hα-helixtrans-67.8-43179.7-173.957.155.900111.1A83 T84 A88 L89 D90A83-Q86 WeakPolarHBondContact O-CA 3.41Å; A83-Q86 WeakPolarHBondContact O-CB 2.92Å; A83-Q86 PolarHBondContact O-N 3.15Å; T84-Q86 VanDerWaalsContact C-N 3.35Å; T84-Q86 PolarHBondContact O-N 3.42Å; Q86-A88 VanDerWaalsContact C-N 3.32Å; Q86-A88 PolarHBondContact O-N 3.34Å; Q86-L89 WeakPolarHBondContact O-CB 3.26Å; Q86-L89 PolarHBondContact O-N 3.06Å; Q86-L89 VanDerWaalsContact O-N 3.15Å; Q86-D90 PolarHBondContact NE2-OD1 2.77Å; Q86-D90 VanDerWaalsContact O-CG 3.23Å; Q86-D90 PolarHBondContact O-N 3.41Å
87V98.6Very high97.7Very high25 Ų2544.2 Ų44.215%0.15222%0.224CC..Hα-helixtrans-54.3-50.1173.3168.20000110.1E45 L48 P49 A83 T84 L89 D90 Y91E45-V87 HydrophobicContact CB-CG2 4.47Å; L48-V87 HydrophobicContact CD2-CG1 4.26Å; P49-V87 HydrophobicContact CG-CG1 3.71Å; A83-V87 WeakPolarHBondContact O-CG2 3.36Å; A83-V87 PolarHBondContact O-N 2.92Å; T84-V87 PolarHBondContact O-N 3.4Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.28Å; V87-D90 WeakPolarHBondContact O-CB 3.45Å; V87-D90 PolarHBondContact O-N 3.28Å; V87-D90 VanDerWaalsContact O-N 3.12Å; V87-Y91 HydrophobicContact CG1-CD2 4.36Å; V87-Y91 HydrophobicContact CG1-CE2 4.24Å; V87-Y91 WeakPolarHBondContact O-CD2 3.39Å; V87-Y91 PolarHBondContact O-N 3.45Å
88A98.6Very high97.5Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-60.9-39.8178.600000112.8L48 V75 T84 Y85 Q86 D90 Y91 S92 V102L48-A88 HydrophobicContact CD2-CB 4.25Å; V75-A88 HydrophobicContact CB-CB 3.98Å; V75-A88 HydrophobicContact CG1-CB 3.71Å; V75-A88 HydrophobicContact CG2-CB 4.31Å; T84-A88 PolarHBondContact O-N 3.24Å; Y85-A88 PolarHBondContact O-N 3.39Å; Q86-A88 VanDerWaalsContact C-N 3.32Å; Q86-A88 PolarHBondContact O-N 3.34Å; A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 2.87Å; A88-Y91 PolarHBondContact O-N 2.88Å; A88-S92 PolarHBondContact O-N 3.43Å; A88-V102 HydrophobicContact CB-CB 4.45Å; A88-V102 HydrophobicContact CB-CG1 3.77Å; A88-V102 HydrophobicContact CB-CG2 3.75Å
89L98.2Very high97.4Very high14 Ų1454.6 Ų54.67%0.07327%0.272CS..Hα-helixtrans-64.9-34.7175.2-74.6180000112.4V13 P15 Y85 Q86 V87 Y91 S92 R93 V102V13-L89 HydrophobicContact CG2-CD2 3.86Å; P15-L89 HydrophobicContact CB-CB 4.49Å; P15-L89 HydrophobicContact CB-CD2 4.46Å; Y85-L89 HydrophobicContact CD1-CD1 4Å; Y85-L89 HydrophobicContact CE1-CD1 3.45Å; Y85-L89 VanDerWaalsContact CE1-CD1 3.45Å; Y85-L89 HydrophobicContact CE1-CG 4.18Å; Y85-L89 HydrophobicContact CE2-CD1 4.4Å; Y85-L89 HydrophobicContact CE2-CD2 4.46Å; Y85-L89 HydrophobicContact CE2-CG 4.28Å; Y85-L89 WeakPolarHBondContact O-CG 3.44Å; Y85-L89 PolarHBondContact O-N 3.1Å; Q86-L89 WeakPolarHBondContact O-CB 3.26Å; Q86-L89 PolarHBondContact O-N 3.06Å; Q86-L89 VanDerWaalsContact O-N 3.15Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.28Å; L89-Y91 VanDerWaalsContact C-N 3.32Å; L89-Y91 PolarHBondContact O-N 3.3Å; L89-S92 CarbonylContact O-C 3.39Å; L89-S92 WeakPolarHBondContact O-CB 3.47Å; L89-S92 PolarHBondContact O-N 3.43Å; L89-S92 VanDerWaalsContact O-N 3.17Å; L89-R93 PolarHBondContact O-N 3.24Å; L89-V102 HydrophobicContact CD2-CB 4.07Å; L89-V102 HydrophobicContact CD2-CG2 3.91Å; L89-V102 HydrophobicContact CG-CG2 4.41Å
90D98.4Very high97.5Very high58 Ų5853.7 Ų53.731%0.3126%0.262SS..Hα-helixtrans-67.9-33.3177.6-64.5-18.5000111.8Q86 V87 A88 R93 R94Q86-D90 PolarHBondContact NE2-OD1 2.77Å; Q86-D90 VanDerWaalsContact O-CG 3.23Å; Q86-D90 PolarHBondContact O-N 3.41Å; V87-D90 WeakPolarHBondContact O-CB 3.45Å; V87-D90 PolarHBondContact O-N 3.28Å; V87-D90 VanDerWaalsContact O-N 3.12Å; A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 2.87Å; D90-R93 PolarHBondContact O-N 2.82Å; D90-R93 IonicContact OD1-CZ 2.71Å; D90-R93 IonicContact OD1-NH1 2.98Å; D90-R93 PolarHBondContact OD1-NH1 3.43Å; D90-R94 WeakPolarHBondContact O-CB 3.34Å; D90-R94 PolarHBondContact O-N 3.37Å
91Y98.6Very high97.6Very high10 Ų1053 Ų534%0.03926%0.257CS..Hα-helixtrans-66.8-42.6168.1-83.1-94.5000111.8P49 L52 D53 L56 V87 A88 L89 R93 R94 Y95P49-Y91 WeakPolarHBondContact CA-OH 3.3Å; P49-Y91 HydrophobicContact CB-CE2 4.21Å; P49-Y91 PolarHBondContact O-OH 2.98Å; P49-Y91 VanDerWaalsContact O-OH 3.1Å; L52-Y91 HydrophobicContact CB-CD1 3.96Å; L52-Y91 HydrophobicContact CB-CE1 3.68Å; L52-Y91 HydrophobicContact CB-CE2 4.42Å; L52-Y91 HydrophobicContact CB-CG 4.45Å; L52-Y91 HydrophobicContact CD1-CD1 4.12Å; L52-Y91 HydrophobicContact CD1-CD2 3.71Å; L52-Y91 HydrophobicContact CD1-CE1 4.41Å; L52-Y91 HydrophobicContact CD1-CE2 4.04Å; L52-Y91 HydrophobicContact CD1-CG 3.77Å; D53-Y91 WeakPolarHBondContact OD1-CE1 3.49Å; D53-Y91 VanDerWaalsContact OD1-CZ 3.31Å; D53-Y91 PolarHBondContact OD1-OH 2.96Å; D53-Y91 PolarHBondContact OD2-OH 2.57Å; L56-Y91 HydrophobicContact CD1-CD1 3.62Å; L56-Y91 HydrophobicContact CD1-CE1 4.04Å; V87-Y91 HydrophobicContact CG1-CD2 4.36Å; V87-Y91 HydrophobicContact CG1-CE2 4.24Å; V87-Y91 WeakPolarHBondContact O-CD2 3.39Å; V87-Y91 PolarHBondContact O-N 3.45Å; A88-Y91 PolarHBondContact O-N 2.88Å; L89-Y91 VanDerWaalsContact C-N 3.32Å; L89-Y91 PolarHBondContact O-N 3.3Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3.01Å; Y91-R94 PolarHBondContact O-N 3.23Å; Y91-Y95 HydrophobicContact CD1-CD2 4.09Å; Y91-Y95 AromaticContact CD1-CE2 3.75Å; Y91-Y95 HydrophobicContact CD1-CE2 3.75Å; Y91-Y95 HydrophobicContact CE1-CE2 4.2Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.49Å; Y91-Y95 PolarHBondContact O-N 2.73Å
92S98.1Very high97.7Very high1 Ų145.4 Ų45.41%0.00722%0.217CC..Hα-helixtrans-57.9-41.5173.5-171.10000112.8A88 L89 G96 I100A88-S92 PolarHBondContact O-N 3.43Å; L89-S92 CarbonylContact O-C 3.39Å; L89-S92 WeakPolarHBondContact O-CB 3.47Å; L89-S92 PolarHBondContact O-N 3.43Å; L89-S92 VanDerWaalsContact O-N 3.17Å; S92-G96 CarbonylContact O-C 3.52Å; S92-G96 VanDerWaalsContact O-C 3.3Å; S92-G96 VanDerWaalsContact O-CA 3.23Å; S92-G96 WeakPolarHBondContact O-CA 3.35Å; S92-G96 PolarHBondContact O-N 2.82Å; S92-I100 WeakPolarHBondContact CB-O 3.29Å; S92-I100 PolarHBondContact OG-O 2.94Å
93R97.7Very high97.8Very high106 Ų10643.3 Ų43.340%0.421%0.206SC..Hα-helixtrans-62.3-45.1174.4-175.3175.3-59.4104.62.5112.2P15 E16 L89 D90 Y91P15-R93 HydrophobicContact CB-CB 4.18Å; P15-R93 HydrophobicContact CG-CB 3.9Å; P15-R93 PolarHBondContact O-NH2 3.35Å; E16-R93 WeakPolarHBondContact OE1-CD 3.22Å; E16-R93 WeakPolarHBondContact OE1-CG 3.3Å; E16-R93 IonicContact OE1-NE 3.72Å; E16-R93 PolarHBondContact OE1-NE 2.68Å; L89-R93 PolarHBondContact O-N 3.24Å; D90-R93 PolarHBondContact O-N 2.82Å; D90-R93 IonicContact OD1-CZ 2.71Å; D90-R93 IonicContact OD1-NH1 2.98Å; D90-R93 PolarHBondContact OD1-NH1 3.43Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3.01Å
94R97.7Very high97.8Very high153 Ų15345.9 Ų45.958%0.57721%0.209SC*.Hα-helixtrans-70.3-39.6-175.2-169.2-175.8-49.9170.25.9113.3D90 Y91D90-R94 WeakPolarHBondContact O-CB 3.34Å; D90-R94 PolarHBondContact O-N 3.37Å; Y91-R94 PolarHBondContact O-N 3.23Å
95Y97.2Very high97.8Very high70 Ų7046 Ų4628%0.27521%0.21SC..Hα-helixtrans-104.7-10-173.1-70.1-88.1000113.9L56 Y91 I100L56-Y95 HydrophobicContact CB-CE1 4.36Å; L56-Y95 HydrophobicContact CD1-CD1 4.45Å; L56-Y95 HydrophobicContact CD1-CD2 3.81Å; L56-Y95 HydrophobicContact CD1-CE1 4.22Å; L56-Y95 HydrophobicContact CD1-CE2 3.55Å; L56-Y95 HydrophobicContact CD1-CG 4.26Å; Y91-Y95 HydrophobicContact CD1-CD2 4.09Å; Y91-Y95 AromaticContact CD1-CE2 3.75Å; Y91-Y95 HydrophobicContact CD1-CE2 3.75Å; Y91-Y95 HydrophobicContact CE1-CE2 4.2Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.49Å; Y91-Y95 PolarHBondContact O-N 2.73Å; Y95-I100 HydrophobicContact CG-CG1 4.4Å
96G96.8Very high97.6Very high31 Ų3150.7 Ų50.732%0.3223%0.227SC..  trans91.3146.4-178.300000113.3S92 D98 R99 I100S92-G96 CarbonylContact O-C 3.52Å; S92-G96 VanDerWaalsContact O-C 3.3Å; S92-G96 VanDerWaalsContact O-CA 3.23Å; S92-G96 WeakPolarHBondContact O-CA 3.35Å; S92-G96 PolarHBondContact O-N 2.82Å; G96-D98 PolarHBondContact O-N 2.76Å; G96-D98 VanDerWaalsContact O-N 3.16Å; G96-R99 PolarHBondContact O-N 2.7Å; G96-I100 PolarHBondContact O-N 3.43Å
97I95.7Very high97.5Very high31 Ų3150 Ų5016%0.15922%0.224CC..THydrogen-bonded Turntrans-63.8-19.8-176.862.6168.3000114F12 D14 P15 I22 R101F12-I97 HydrophobicContact CE2-CB 4.29Å; D14-I97 HydrophobicContact CB-CG2 4.34Å; P15-I97 VanDerWaalsContact CD-CG2 3.49Å; P15-I97 HydrophobicContact CG-CG2 4.42Å; I22-I97 HydrophobicContact CD1-CD1 3.63Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å
98D94.8Very high97.4Very high113 Ų11352 Ų5260%0.60423%0.233SC*.THydrogen-bonded Turntrans-77.1-24175.6-72.2-45.5000112.5G96 R123G96-D98 PolarHBondContact O-N 2.76Å; G96-D98 VanDerWaalsContact O-N 3.16Å; D98-R123 PolarHBondContact O-NH2 2.75Å
99R96.3Very high97.2Very high110 Ų11052.3 Ų52.342%0.41524%0.235SC..THydrogen-bonded Turntrans-97.5-43.5178.5-68.6-173.7179.2-164.4-0.4112N60 E72 V73 G96N60-R99 PolarHBondContact OD1-NH1 3.43Å; E72-R99 CarbonylContact C-O 3.59Å; E72-R99 VanDerWaalsContact CA-O 3.26Å; E72-R99 WeakPolarHBondContact CA-O 3.21Å; V73-R99 PolarHBondContact N-O 2.8Å; G96-R99 PolarHBondContact O-N 2.7Å
100I98.4Very high97Very high0 Ų051.9 Ų51.90%023%0.233CC..EExtended strand (participates in β ladder)trans-123.3118.5-177.3-42.1-61.8000109.7L56 V73 S92 Y95 G96L56-I100 HydrophobicContact CD1-CD1 4.15Å; L56-I100 HydrophobicContact CD2-CD1 3.39Å; L56-I100 HydrophobicContact CD2-CG1 4.48Å; L56-I100 HydrophobicContact CG-CD1 4.33Å; V73-I100 HydrophobicContact CB-CD1 3.67Å; V73-I100 HydrophobicContact CG2-CD1 3.79Å; V73-I100 WeakPolarHBondContact O-CA 3.01Å; S92-I100 WeakPolarHBondContact CB-O 3.29Å; S92-I100 PolarHBondContact OG-O 2.94Å; Y95-I100 HydrophobicContact CG-CG1 4.4Å; G96-I100 PolarHBondContact O-N 3.43Å
101R98.5Very high96.8Very high4 Ų450.4 Ų50.42%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-116.6142.8176.8-61.4-172.6-67.31677.1109.6F12 F24 E72 V73 I74 V75 I97 C121F12-R101 HydrophobicContact CD2-CB 4.22Å; F12-R101 HydrophobicContact CD2-CG 3.98Å; F12-R101 HydrophobicContact CE2-CG 3.87Å; F12-R101 HydrophobicContact CG-CB 4.35Å; F12-R101 HydrophobicContact CG-CG 4.44Å; F12-R101 HydrophobicContact CZ-CG 4.24Å; F24-R101 HydrophobicContact CE1-CB 3.89Å; F24-R101 HydrophobicContact CZ-CB 4.35Å; E72-R101 IonicContact OE1-NH2 3.84Å; E72-R101 PolarHBondContact OE1-NH2 2.89Å; E72-R101 IonicContact OE2-CZ 2.69Å; E72-R101 IonicContact OE2-NE 2.7Å; E72-R101 PolarHBondContact OE2-NE 2.95Å; E72-R101 IonicContact OE2-NH2 3.5Å; E72-R101 PolarHBondContact OE2-NH2 2.92Å; V73-R101 PolarHBondContact O-N 3.16Å; I74-R101 CarbonylContact C-O 3.48Å; I74-R101 VanDerWaalsContact CA-O 3.31Å; I74-R101 WeakPolarHBondContact CA-O 3.4Å; V75-R101 PolarHBondContact N-O 3.33Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å; R101-C121 PolarHBondContact NH2-O 2.69Å
102V98.6Very high96.7Very high4 Ų450 Ų502%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-115114.9-180-166.70000109F12 V75 Y85 A88 L89F12-V102 WeakPolarHBondContact CB-O 3.32Å; V75-V102 CarbonylContact O-C 3.51Å; V75-V102 WeakPolarHBondContact O-CA 3.38Å; Y85-V102 HydrophobicContact CD2-CG1 3.59Å; Y85-V102 HydrophobicContact CE2-CB 4.21Å; Y85-V102 HydrophobicContact CE2-CG1 3.48Å; Y85-V102 VanDerWaalsContact CE2-CG1 3.48Å; A88-V102 HydrophobicContact CB-CB 4.45Å; A88-V102 HydrophobicContact CB-CG1 3.77Å; A88-V102 HydrophobicContact CB-CG2 3.75Å; L89-V102 HydrophobicContact CD2-CB 4.07Å; L89-V102 HydrophobicContact CD2-CG2 3.91Å; L89-V102 HydrophobicContact CG-CG2 4.41Å
103L98.4Very high96.6Very high0 Ų049.9 Ų49.90%022%0.222CC..EExtended strand (participates in β ladder)trans-93.7117.5171.5172.559.8000108.3E9 F24 I74 V75 V76 D77 L105 L117E9-L103 HydrophobicContact CB-CD1 4.27Å; E9-L103 WeakPolarHBondContact O-CD1 3.4Å; F24-L103 HydrophobicContact CD2-CD1 4.36Å; F24-L103 HydrophobicContact CE2-CB 3.97Å; F24-L103 HydrophobicContact CE2-CD1 3.71Å; F24-L103 HydrophobicContact CE2-CG 4.36Å; F24-L103 HydrophobicContact CZ-CB 3.78Å; F24-L103 HydrophobicContact CZ-CD1 4.4Å; I74-L103 HydrophobicContact CG2-CB 4.23Å; V75-L103 PolarHBondContact O-N 3.21Å; V76-L103 CarbonylContact C-O 3.48Å; V76-L103 WeakPolarHBondContact CA-O 3.34Å; V76-L103 HydrophobicContact CG1-CB 4.37Å; V76-L103 HydrophobicContact CG1-CD2 3.96Å; V76-L103 HydrophobicContact CG1-CG 4.13Å; V76-L103 HydrophobicContact CG2-CB 4.33Å; V76-L103 HydrophobicContact CG2-CD2 4.21Å; D77-L103 PolarHBondContact N-O 2.67Å; L103-L105 HydrophobicContact CD1-CD2 4.33Å; L103-L105 HydrophobicContact CD2-CD2 4.04Å; L103-L105 HydrophobicContact CG-CD2 3.94Å; L103-L117 HydrophobicContact CD2-CB 3.9Å
104K97.9Very high96.6Very high96 Ų9644.9 Ų44.942%0.41720%0.203SC..EExtended strand (participates in β ladder)trans-97.3123.2173-172165.8-169.4167.30110.4Y85Y85-K104 HydrophobicContact CD1-CD 4.1Å; Y85-K104 HydrophobicContact CD2-CB 4.08Å; Y85-K104 HydrophobicContact CD2-CD 3.92Å; Y85-K104 HydrophobicContact CD2-CG 4.23Å; Y85-K104 HydrophobicContact CE1-CD 4.01Å; Y85-K104 HydrophobicContact CE2-CB 3.67Å; Y85-K104 HydrophobicContact CE2-CD 3.87Å; Y85-K104 HydrophobicContact CE2-CG 4.21Å; Y85-K104 HydrophobicContact CG-CD 4.05Å
105L98Very high96.7Very high2 Ų237.6 Ų37.61%0.0118%0.176CC..PPolyproline II helixtrans-83.2144173.7-58.4-166.4000110.8E9 V76 D77 D78 L103 H107 R109 A114 L117E9-L105 HydrophobicContact CG-CD2 4.12Å; V76-L105 HydrophobicContact CG1-CD1 4.02Å; V76-L105 HydrophobicContact CG1-CD2 4.13Å; V76-L105 HydrophobicContact CG1-CG 3.88Å; D77-L105 WeakPolarHBondContact O-CB 3.42Å; D77-L105 PolarHBondContact O-N 3.18Å; D78-L105 HydrophobicContact CB-CD1 4.4Å; D78-L105 WeakPolarHBondContact OD1-CD1 3.41Å; L103-L105 HydrophobicContact CD1-CD2 4.33Å; L103-L105 HydrophobicContact CD2-CD2 4.04Å; L103-L105 HydrophobicContact CG-CD2 3.94Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 2.77Å; L105-R109 HydrophobicContact CD1-CG 4.44Å; L105-A114 HydrophobicContact CD1-CB 4.25Å; L105-L117 HydrophobicContact CD1-CD1 3.94Å; L105-L117 HydrophobicContact CD2-CB 4.19Å; L105-L117 HydrophobicContact CD2-CD1 3.37Å; L105-L117 HydrophobicContact CD2-CG 4.41Å; L105-L117 HydrophobicContact CG-CD1 4.31Å
106R95.8Very high96.6Very high146 Ų14634.5 Ų34.555%0.55116%0.164SC*.SBendtrans-62.6-38.6-177.4-179.9167.2-179.6175.94.5112.1Y6 E8 E9Y6-R106 VanDerWaalsContact CD1-NH1 3.3Å; Y6-R106 HydrophobicContact CD2-CB 3.91Å; Y6-R106 HydrophobicContact CE2-CB 4.32Å; Y6-R106 HydrophobicContact CG-CB 4.3Å; E8-R106 HydrophobicContact CG-CB 4.42Å; E8-R106 WeakPolarHBondContact OE1-CA 3.28Å; E8-R106 WeakPolarHBondContact OE1-CB 3.38Å; E8-R106 WeakPolarHBondContact OE1-CD 3.43Å; E8-R106 WeakPolarHBondContact OE1-CG 3.36Å; E9-R106 PolarHBondContact OE1-N 2.7Å
107H94.9Very high96.7Very high77 Ų7733.1 Ų33.136%0.35615%0.149SC..SBendtrans-145.6159.2176.759.8-99.4000108.7Y6 L105 R109Y6-H107 AromaticContact CE2-CE1 3.39Å; Y6-H107 WeakPolarHBondContact CE2-CE1 3.43Å; Y6-H107 AromaticContact CE2-ND1 3.72Å; Y6-H107 AromaticContact CZ-CE1 3.78Å; Y6-H107 PolarHBondContact OH-CE1 2.66Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 2.77Å; H107-R109 PolarHBondContact O-N 3.5Å
108N95.9Very high96.8Very high65 Ų6531.6 Ų31.635%0.34814%0.141SC..  trans-62119.5174168.317.2000111.1K42 D78 G110K42-N108 VanDerWaalsContact CE-CG 3.5Å; K42-N108 WeakPolarHBondContact CE-ND2 3.43Å; D78-N108 VanDerWaalsContact O-CA 3.23Å; D78-N108 WeakPolarHBondContact O-CA 3.4Å; D78-N108 VanDerWaalsContact O-CB 3.28Å; D78-N108 WeakPolarHBondContact O-CB 2.87Å; D78-N108 WeakPolarHBondContact OD1-CA 3.33Å; D78-N108 PolarHBondContact OD2-OD1 2.81Å; D78-N108 VanDerWaalsContact OD2-OD1 3.11Å; N108-G110 PolarHBondContact OD1-N 2.94Å
109R94.4Very high96.9Very high8 Ų826.2 Ų26.23%0.0311%0.113CC..  trans-104.6-19.6175.4-59.4-173.3-178.9-141.512.3112.4L4 E9 D78 L105 H107 E223L4-R109 VanDerWaalsContact O-CZ 3.26Å; L4-R109 PolarHBondContact O-NH1 2.91Å; L4-R109 PolarHBondContact O-NH2 3.2Å; E9-R109 IonicContact OE1-CZ 3.69Å; E9-R109 IonicContact OE1-NE 2.7Å; E9-R109 IonicContact OE1-NH2 2.69Å; E9-R109 PolarHBondContact OE1-NH2 3.15Å; E9-R109 VanDerWaalsContact OE1-NH2 3.11Å; E9-R109 IonicContact OE2-CZ 3.21Å; E9-R109 IonicContact OE2-NH2 2.92Å; E9-R109 PolarHBondContact OE2-NH2 2.93Å; D78-R109 PolarHBondContact OD1-N 3.12Å; L105-R109 HydrophobicContact CD1-CG 4.44Å; H107-R109 PolarHBondContact O-N 3.5Å; R109-E223 HydrophobicContact CB-CB 4.41Å; R109-E223 IonicContact NH1-OE1 3.12Å; R109-E223 CarbonylContact O-C 3.35Å; R109-E223 WeakPolarHBondContact O-CB 3.15Å
110G94.2Very high96.9Very high4 Ų421 Ų214%0.0419%0.093CC..  trans96.4168.6-170.200000112.2D78 N108 G112 G113 A114 E223D78-G110 PolarHBondContact OD1-N 2.8Å; D78-G110 WeakPolarHBondContact OD2-CA 3.37Å; D78-G110 PolarHBondContact OD2-N 3.29Å; N108-G110 PolarHBondContact OD1-N 2.94Å; G110-G112 PolarHBondContact O-N 2.91Å; G110-G113 WeakPolarHBondContact O-CA 3.28Å; G110-G113 PolarHBondContact O-N 3.46Å; G110-A114 PolarHBondContact O-N 2.91Å; G110-E223 CarbonylContact C-O 3.52Å; G110-E223 WeakPolarHBondContact CA-O 3.48Å; G110-E223 VanDerWaalsContact O-O 3.09Å
111K95.1Very high96.9Very high27 Ų2721 Ų2112%0.1179%0.093CC..Hα-helixtrans-49.9-49.7-175.8-177.2178.2174177.90113.1P40 G113 A114 V115 D131 E223 W225 F227P40-K111 HydrophobicContact CB-CG 4.4Å; P40-K111 HydrophobicContact CG-CG 4.23Å; K111-G113 VanDerWaalsContact C-N 3.34Å; K111-G113 PolarHBondContact O-N 2.88Å; K111-A114 PolarHBondContact O-N 3.03Å; K111-V115 HydrophobicContact CG-CG2 4.24Å; K111-V115 VanDerWaalsContact O-CG2 3.29Å; K111-V115 WeakPolarHBondContact O-CG2 3.17Å; K111-V115 PolarHBondContact O-N 2.93Å; K111-D131 WeakPolarHBondContact CE-OD1 3.28Å; K111-D131 IonicContact NZ-OD1 3.57Å; K111-D131 PolarHBondContact NZ-OD1 2.69Å; K111-D131 IonicContact NZ-OD2 3.84Å; K111-D131 PolarHBondContact NZ-OD2 3.1Å; K111-E223 PolarHBondContact N-O 2.76Å; K111-W225 HydrophobicContact CB-CZ3 4.32Å; K111-F227 HydrophobicContact CB-CE1 4.29Å; K111-F227 HydrophobicContact CD-CE1 3.7Å; K111-F227 HydrophobicContact CD-CZ 4.34Å; K111-F227 HydrophobicContact CG-CD1 4.46Å; K111-F227 HydrophobicContact CG-CE1 3.66Å; K111-F227 HydrophobicContact CG-CZ 4.15Å
112G96.1Very high96.9Very high1 Ų120.8 Ų20.81%0.019%0.092CC..Hα-helixtrans-60.7-40.1178.500000113.7G110 R116 E223 R224G110-G112 PolarHBondContact O-N 2.91Å; G112-R116 WeakPolarHBondContact O-CB 3.07Å; G112-R116 PolarHBondContact O-N 3.45Å; G112-E223 CarbonylContact C-O 3.58Å; G112-E223 VanDerWaalsContact CA-O 3.24Å; G112-E223 WeakPolarHBondContact CA-O 3.36Å; G112-E223 PolarHBondContact N-O 2.97Å; G112-R224 PolarHBondContact N-O 3.4Å
113G96.4Very high96.9Very high0 Ų022.2 Ų22.20%010%0.097CC..Hα-helixtrans-64.1-45.3174.500000111.8G110 K111 R116 L117 E223G110-G113 WeakPolarHBondContact O-CA 3.28Å; G110-G113 PolarHBondContact O-N 3.46Å; K111-G113 VanDerWaalsContact C-N 3.34Å; K111-G113 PolarHBondContact O-N 2.88Å; G113-R116 PolarHBondContact O-N 3.48Å; G113-L117 WeakPolarHBondContact O-CB 3.44Å; G113-L117 WeakPolarHBondContact O-CG 3.07Å; G113-L117 PolarHBondContact O-N 3.42Å; G113-E223 PolarHBondContact N-O 3.23Å
114A98Very high96.9Very high0 Ų022.2 Ų22.20%010%0.097CC..Hα-helixtrans-62-51.2176.600000112.5P40 V76 D78 L105 G110 K111 R116 L117 G118P40-A114 HydrophobicContact CB-CB 3.76Å; V76-A114 HydrophobicContact CB-CB 4.28Å; V76-A114 HydrophobicContact CG1-CB 3.83Å; D78-A114 HydrophobicContact CB-CB 3.96Å; L105-A114 HydrophobicContact CD1-CB 4.25Å; G110-A114 PolarHBondContact O-N 2.91Å; K111-A114 PolarHBondContact O-N 3.03Å; A114-R116 PolarHBondContact O-N 3.02Å; A114-L117 PolarHBondContact O-N 2.84Å; A114-G118 PolarHBondContact O-N 3.02Å
115V98.4Very high96.9Very high0 Ų023.7 Ų23.70%010%0.1CC..Hα-helixtrans-60.2-48.6176.9177.90000110.1P40 K111 L117 G118 V119 F129 F217 F227P40-V115 HydrophobicContact CB-CG2 3.85Å; P40-V115 HydrophobicContact CG-CG2 3.58Å; K111-V115 HydrophobicContact CG-CG2 4.24Å; K111-V115 VanDerWaalsContact O-CG2 3.29Å; K111-V115 WeakPolarHBondContact O-CG2 3.17Å; K111-V115 PolarHBondContact O-N 2.93Å; V115-L117 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 2.88Å; V115-G118 PolarHBondContact O-N 3.22Å; V115-V119 HydrophobicContact CG1-CG2 4.02Å; V115-V119 WeakPolarHBondContact O-CB 3.23Å; V115-V119 VanDerWaalsContact O-CG2 3.24Å; V115-V119 WeakPolarHBondContact O-CG2 3.43Å; V115-V119 PolarHBondContact O-N 3.41Å; V115-F129 HydrophobicContact CG1-CB 3.91Å; V115-F129 HydrophobicContact CG1-CD1 3.65Å; V115-F129 HydrophobicContact CG1-CE1 4.31Å; V115-F129 HydrophobicContact CG1-CG 3.81Å; V115-F129 HydrophobicContact CG2-CB 4.39Å; V115-F129 HydrophobicContact CG2-CD2 4.24Å; V115-F129 HydrophobicContact CG2-CG 4.21Å; V115-F217 HydrophobicContact CG1-CE1 3.61Å; V115-F217 HydrophobicContact CG1-CZ 4.1Å; V115-F227 HydrophobicContact CB-CE2 4.09Å; V115-F227 HydrophobicContact CB-CZ 4.36Å; V115-F227 HydrophobicContact CG1-CE2 4.16Å; V115-F227 HydrophobicContact CG2-CE2 4.27Å; V115-F227 HydrophobicContact CG2-CZ 4.03Å
116R97Very high96.9Very high6 Ų625 Ų252%0.02311%0.106CC..Hα-helixtrans-57.1-46.6-179.8-176.517968.6-167.5-8.7112G112 G113 A114 V119 V120 F217 L220 E223G112-R116 WeakPolarHBondContact O-CB 3.07Å; G112-R116 PolarHBondContact O-N 3.45Å; G113-R116 PolarHBondContact O-N 3.48Å; A114-R116 PolarHBondContact O-N 3.02Å; R116-V119 PolarHBondContact O-N 3.25Å; R116-V120 VanDerWaalsContact O-CG2 3.26Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 3.32Å; R116-F217 HydrophobicContact CB-CD1 4.17Å; R116-F217 WeakPolarHBondContact CD-O 3.48Å; R116-F217 HydrophobicContact CG-CB 4.31Å; R116-F217 HydrophobicContact CG-CD1 4.39Å; R116-F217 WeakPolarHBondContact CG-O 3.08Å; R116-L220 PolarHBondContact NH1-O 3.16Å; R116-E223 IonicContact CZ-OE1 2.69Å; R116-E223 IonicContact NH2-OE1 2.7Å; R116-E223 PolarHBondContact NH2-OE1 2.86Å
117L97Very high97.1Very high1 Ų118.1 Ų18.11%0.0058%0.08CC..Hα-helixtrans-69.3-38.6179.5-71.6175.8000112.2F3 R5 L103 L105 G113 A114 V115 V120 C121F3-L117 HydrophobicContact CD2-CD2 3.93Å; F3-L117 HydrophobicContact CE2-CD2 3.38Å; F3-L117 HydrophobicContact CZ-CD2 4.31Å; R5-L117 HydrophobicContact CB-CD2 4.42Å; R5-L117 HydrophobicContact CG-CD2 4.08Å; L103-L117 HydrophobicContact CD2-CB 3.9Å; L105-L117 HydrophobicContact CD1-CD1 3.94Å; L105-L117 HydrophobicContact CD2-CB 4.19Å; L105-L117 HydrophobicContact CD2-CD1 3.37Å; L105-L117 HydrophobicContact CD2-CG 4.41Å; L105-L117 HydrophobicContact CG-CD1 4.31Å; G113-L117 WeakPolarHBondContact O-CB 3.44Å; G113-L117 WeakPolarHBondContact O-CG 3.07Å; G113-L117 PolarHBondContact O-N 3.42Å; A114-L117 PolarHBondContact O-N 2.84Å; V115-L117 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 2.88Å; L117-V120 PolarHBondContact O-N 3.15Å; L117-C121 PolarHBondContact O-N 3.38Å; L117-C121 PolarHBondContact O-SG 3.29Å
118G98.4Very high97.3Very high0 Ų014.4 Ų14.40%06%0.063CC..Hα-helixtrans-59.9-48.5172.500000112.4I38 A114 V115 V120 C121 S122I38-G118 VanDerWaalsContact CD1-O 3.3Å; I38-G118 WeakPolarHBondContact CD1-O 3.35Å; A114-G118 PolarHBondContact O-N 3.02Å; V115-G118 PolarHBondContact O-N 3.22Å; G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 3.33Å; G118-C121 WeakPolarHBondContact O-CB 3.39Å; G118-C121 PolarHBondContact O-N 3.03Å; G118-S122 PolarHBondContact O-N 3.21Å
119V98.4Very high97.4Very high0 Ų011.3 Ų11.30%05%0.046CC..Hα-helixtrans-60.1-40.9178.61710000111.5L27 I38 V115 R116 C121 S122 I127 A213 F217L27-V119 HydrophobicContact CD2-CG1 3.96Å; I38-V119 HydrophobicContact CG1-CG2 3.94Å; V115-V119 HydrophobicContact CG1-CG2 4.02Å; V115-V119 WeakPolarHBondContact O-CB 3.23Å; V115-V119 VanDerWaalsContact O-CG2 3.24Å; V115-V119 WeakPolarHBondContact O-CG2 3.43Å; V115-V119 PolarHBondContact O-N 3.41Å; R116-V119 PolarHBondContact O-N 3.25Å; V119-C121 PolarHBondContact O-N 3.16Å; V119-S122 VanDerWaalsContact O-CB 3.28Å; V119-S122 WeakPolarHBondContact O-CB 3.24Å; V119-S122 PolarHBondContact O-N 2.98Å; V119-S122 VanDerWaalsContact O-N 3.17Å; V119-S122 PolarHBondContact O-OG 2.86Å; V119-I127 HydrophobicContact CB-CG2 4.5Å; V119-I127 HydrophobicContact CG1-CD1 4.33Å; V119-I127 HydrophobicContact CG1-CG2 4.29Å; V119-I127 HydrophobicContact CG2-CG2 3.91Å; V119-A213 HydrophobicContact CG1-CB 3.89Å; V119-F217 HydrophobicContact CB-CD1 4.13Å; V119-F217 HydrophobicContact CB-CD2 4.18Å; V119-F217 HydrophobicContact CB-CE1 4.4Å; V119-F217 HydrophobicContact CB-CE2 4.43Å; V119-F217 HydrophobicContact CB-CG 4Å; V119-F217 HydrophobicContact CG1-CB 4.07Å; V119-F217 HydrophobicContact CG1-CD1 4.29Å; V119-F217 HydrophobicContact CG1-CD2 3.49Å; V119-F217 VanDerWaalsContact CG1-CD2 3.49Å; V119-F217 HydrophobicContact CG1-CE2 3.93Å; V119-F217 HydrophobicContact CG1-CG 3.67Å; V119-F217 HydrophobicContact CG2-CD1 4.1Å; V119-F217 HydrophobicContact CG2-CD2 4.24Å; V119-F217 HydrophobicContact CG2-CE1 3.86Å; V119-F217 HydrophobicContact CG2-CE2 3.98Å; V119-F217 HydrophobicContact CG2-CG 4.27Å; V119-F217 HydrophobicContact CG2-CZ 3.78Å
120V96.3Very high97.6Very high0 Ų011 Ų110%05%0.045CC..Hα-helixtrans-63.5-23.4177168.90000112.7M1 F3 S26 L27 R116 L117 G118M1-V120 HydrophobicContact CE-CG1 3.8Å; M1-V120 HydrophobicContact SD-CG1 4.09Å; F3-V120 HydrophobicContact CE1-CG2 4.04Å; F3-V120 HydrophobicContact CZ-CB 4.35Å; F3-V120 HydrophobicContact CZ-CG1 4.13Å; F3-V120 HydrophobicContact CZ-CG2 3.74Å; S26-V120 CarbonylContact C-O 3.59Å; L27-V120 PolarHBondContact N-O 3.48Å; R116-V120 VanDerWaalsContact O-CG2 3.26Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 3.32Å; L117-V120 PolarHBondContact O-N 3.15Å; G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 3.33Å
121C97.2Very high97.7Very high0 Ų012.5 Ų12.50%05%0.053CC..THydrogen-bonded Turntrans-92.2-1.1179.6-61.90000114.5R5 F24 P25 I74 R101 L117 G118 V119R5-C121 PolarHBondContact NH2-SG 3.24Å; F24-C121 HydrophobicContact CB-CB 3.87Å; F24-C121 HydrophobicContact CD1-CB 3.57Å; F24-C121 HydrophobicContact CD2-CB 4.39Å; F24-C121 HydrophobicContact CE1-CB 4.1Å; F24-C121 HydrophobicContact CG-CB 3.71Å; P25-C121 CarbonylContact O-C 3.51Å; P25-C121 WeakPolarHBondContact O-CA 3.32Å; I74-C121 HydrophobicContact CD1-CB 4.15Å; R101-C121 PolarHBondContact NH2-O 2.69Å; L117-C121 PolarHBondContact O-N 3.38Å; L117-C121 PolarHBondContact O-SG 3.29Å; G118-C121 WeakPolarHBondContact O-CB 3.39Å; G118-C121 PolarHBondContact O-N 3.03Å; V119-C121 PolarHBondContact O-N 3.16Å
122S98.4Very high97.7Very high0 Ų011.4 Ų11.40%05%0.049CC..  trans-76.6144.7-169.766.50000114.1G118 V119 I127 R210G118-S122 PolarHBondContact O-N 3.21Å; V119-S122 VanDerWaalsContact O-CB 3.28Å; V119-S122 WeakPolarHBondContact O-CB 3.24Å; V119-S122 PolarHBondContact O-N 2.98Å; V119-S122 VanDerWaalsContact O-N 3.17Å; V119-S122 PolarHBondContact O-OG 2.86Å; S122-I127 WeakPolarHBondContact OG-CD1 3.49Å; S122-R210 PolarHBondContact O-NH1 2.82Å; S122-R210 PolarHBondContact O-NH2 2.91Å
123R98.1Very high97.5Very high33 Ų3313.3 Ų13.313%0.1256%0.059CC..  trans-99.6-15.7173.4-68.1178.6-75.1176.73.7114.2P25 P31 T32 L33 T36 E72 D98P25-R123 HydrophobicContact CB-CG 3.87Å; P25-R123 HydrophobicContact CG-CG 3.63Å; P31-R123 CarbonylContact C-O 3.53Å; P31-R123 WeakPolarHBondContact CA-O 3.33Å; P31-R123 WeakPolarHBondContact CB-O 3.48Å; T32-R123 PolarHBondContact N-O 3.41Å; T32-R123 WeakPolarHBondContact OG1-CD 3.17Å; L33-R123 HydrophobicContact CB-CB 4.47Å; L33-R123 HydrophobicContact CD1-CB 4.04Å; L33-R123 HydrophobicContact CG-CB 4.18Å; L33-R123 PolarHBondContact N-O 2.96Å; T36-R123 PolarHBondContact OG1-N 2.98Å; E72-R123 WeakPolarHBondContact OE1-CB 3.36Å; E72-R123 PolarHBondContact OE1-N 2.89Å; E72-R123 IonicContact OE1-NE 3.22Å; E72-R123 IonicContact OE2-CZ 3.53Å; E72-R123 VanDerWaalsContact OE2-CZ 3.28Å; E72-R123 IonicContact OE2-NE 3.63Å; E72-R123 PolarHBondContact OE2-NE 3.5Å; E72-R123 IonicContact OE2-NH2 2.91Å; E72-R123 PolarHBondContact OE2-NH2 3.21Å; D98-R123 PolarHBondContact O-NH2 2.75Å
124G98.7Very high97.3Very high0 Ų013.8 Ų13.80%06%0.063CC..EExtended strand (participates in β ladder)trans-68.4143.6-171.200000113.7L33 T36 Q126 R210L33-G124 CarbonylContact O-C 3.57Å; L33-G124 WeakPolarHBondContact O-CA 3.36Å; T36-G124 WeakPolarHBondContact OG1-CA 3.49Å; T36-G124 PolarHBondContact OG1-N 3.12Å; G124-Q126 VanDerWaalsContact C-N 3.28Å; G124-R210 PolarHBondContact O-NH1 2.95Å
125R98.5Very high97.1Very high127 Ų12714 Ų1448%0.4797%0.065SC..EExtended strand (participates in β ladder)trans-65.1-35.7165.6-178.517863.7-108.4-2.4111.1P31 L33 D34 R210P31-R125 HydrophobicContact CB-CB 3.96Å; P31-R125 HydrophobicContact CG-CB 4.18Å; L33-R125 PolarHBondContact O-N 3.27Å; D34-R125 PolarHBondContact O-N 3.39Å; D34-R125 IonicContact OD1-CZ 3.96Å; D34-R125 IonicContact OD1-NH1 2.66Å; D34-R125 PolarHBondContact OD1-NH1 3.35Å; D34-R125 IonicContact OD1-NH2 2.77Å; D34-R125 PolarHBondContact OD1-NH2 3.03Å; R125-R210 VanDerWaalsContact O-CB 3.24Å; R125-R210 WeakPolarHBondContact O-CB 3.47Å; R125-R210 PolarHBondContact O-N 3.04Å
126Q98.7Very high96.9Very high31 Ų3114.2 Ų14.215%0.1457%0.066CC..EExtended strand (participates in β ladder)trans-112.8146.7166-70.2-176.5-21.700109.8D34 L35 T36 G124 E145 L207 F208D34-Q126 PolarHBondContact O-N 3.19Å; L35-Q126 CarbonylContact C-O 3.3Å; L35-Q126 WeakPolarHBondContact CA-O 3.48Å; L35-Q126 HydrophobicContact CD1-CB 4.15Å; T36-Q126 PolarHBondContact N-O 3.06Å; G124-Q126 VanDerWaalsContact C-N 3.28Å; Q126-E145 PolarHBondContact OE1-OE1 2.74Å; Q126-L207 HydrophobicContact CB-CD1 4Å; Q126-F208 WeakPolarHBondContact CA-O 3.35Å
127I98.9Very high96.8Very high0 Ų018.6 Ų18.60%09%0.085CC..EExtended strand (participates in β ladder)trans-129.9115.9-176.9-58.6156.8000107.1L27 T36 I38 V119 S122 F208 R210 A213L27-I127 HydrophobicContact CD1-CD1 3.51Å; T36-I127 CarbonylContact O-C 2.98Å; T36-I127 WeakPolarHBondContact O-CA 3.3Å; I38-I127 HydrophobicContact CG1-CG2 4.06Å; V119-I127 HydrophobicContact CB-CG2 4.5Å; V119-I127 HydrophobicContact CG1-CD1 4.33Å; V119-I127 HydrophobicContact CG1-CG2 4.29Å; V119-I127 HydrophobicContact CG2-CG2 3.91Å; S122-I127 WeakPolarHBondContact OG-CD1 3.49Å; I127-F208 PolarHBondContact N-O 3.16Å; I127-F208 WeakPolarHBondContact O-CD2 3.48Å; I127-F208 PolarHBondContact O-N 2.83Å; I127-R210 HydrophobicContact CD1-CG 4.46Å; I127-A213 HydrophobicContact CD1-CB 3.55Å
128L98.9Very high96.8Very high0 Ų018.6 Ų18.60%09%0.085CC..EExtended strand (participates in β ladder)trans-100.7141.8172.8176.870.3000107.6L35 T36 V37 I38 F138 L141 L144 F205 K206 L207L35-L128 HydrophobicContact CD1-CB 4.11Å; T36-L128 PolarHBondContact O-N 3.26Å; V37-L128 CarbonylContact C-O 3.6Å; V37-L128 WeakPolarHBondContact CA-O 3.29Å; V37-L128 HydrophobicContact CG1-CD2 4.22Å; V37-L128 HydrophobicContact CG2-CB 4.41Å; V37-L128 HydrophobicContact CG2-CD2 4.04Å; I38-L128 PolarHBondContact N-O 3.24Å; L128-F138 HydrophobicContact CD2-CD1 4.35Å; L128-F138 HydrophobicContact CD2-CE1 3.93Å; L128-L141 HydrophobicContact CD1-CD1 4.4Å; L128-L141 HydrophobicContact CD2-CD1 4.17Å; L128-L144 HydrophobicContact CD1-CD2 4.35Å; L128-F205 HydrophobicContact CD1-CD1 4.23Å; L128-F205 HydrophobicContact CD1-CD2 4.18Å; L128-F205 HydrophobicContact CD1-CE1 4.08Å; L128-F205 HydrophobicContact CD1-CE2 4.04Å; L128-F205 HydrophobicContact CD1-CG 4.28Å; L128-F205 HydrophobicContact CD1-CZ 3.99Å; L128-F205 HydrophobicContact CD2-CE2 3.74Å; L128-F205 HydrophobicContact CD2-CZ 3.84Å; L128-F205 HydrophobicContact CG-CE2 4.33Å; L128-K206 WeakPolarHBondContact CA-O 3.44Å; L128-K206 WeakPolarHBondContact CD1-O 3.11Å; L128-L207 HydrophobicContact CB-CD1 4.03Å; L128-L207 HydrophobicContact CD1-CB 4.37Å
129F98.5Very high96.7Very high0 Ų021.1 Ų21.10%010%0.103CC..EExtended strand (participates in β ladder)trans-113144.1152.778.8-102.5000110.4I38 V115 F205 K206 F208 F227 D228 L231I38-F129 HydrophobicContact CB-CB 3.95Å; I38-F129 CarbonylContact O-C 3.57Å; I38-F129 WeakPolarHBondContact O-CA 3.49Å; I38-F129 WeakPolarHBondContact O-CB 3.22Å; V115-F129 HydrophobicContact CG1-CB 3.91Å; V115-F129 HydrophobicContact CG1-CD1 3.65Å; V115-F129 HydrophobicContact CG1-CE1 4.31Å; V115-F129 HydrophobicContact CG1-CG 3.81Å; V115-F129 HydrophobicContact CG2-CB 4.39Å; V115-F129 HydrophobicContact CG2-CD2 4.24Å; V115-F129 HydrophobicContact CG2-CG 4.21Å; F129-F205 WeakPolarHBondContact O-CA 3.47Å; F129-K206 HydrophobicContact CD1-CB 4.16Å; F129-K206 HydrophobicContact CE1-CB 3.58Å; F129-K206 HydrophobicContact CE1-CD 3.84Å; F129-K206 HydrophobicContact CE1-CG 3.91Å; F129-K206 HydrophobicContact CZ-CB 3.86Å; F129-K206 HydrophobicContact CZ-CD 3.68Å; F129-K206 HydrophobicContact CZ-CG 3.7Å; F129-K206 PolarHBondContact N-O 3.31Å; F129-K206 PolarHBondContact O-N 2.89Å; F129-K206 VanDerWaalsContact O-N 3.16Å; F129-F208 AromaticContact CD1-CE2 3.64Å; F129-F208 HydrophobicContact CD1-CE2 3.64Å; F129-F208 HydrophobicContact CD1-CZ 4.28Å; F129-F208 AromaticContact CE1-CE2 3.73Å; F129-F208 HydrophobicContact CE1-CE2 3.73Å; F129-F208 AromaticContact CE1-CZ 3.92Å; F129-F208 HydrophobicContact CE1-CZ 3.92Å; F129-F227 HydrophobicContact CE1-CE2 4.41Å; F129-F227 HydrophobicContact CE1-CZ 4.43Å; F129-F227 HydrophobicContact CE2-CZ 4.31Å; F129-F227 HydrophobicContact CZ-CE2 4.39Å; F129-F227 AromaticContact CZ-CZ 3.99Å; F129-F227 HydrophobicContact CZ-CZ 3.99Å; F129-D228 WeakPolarHBondContact CZ-OD1 3.18Å; F129-L231 HydrophobicContact CE1-CD2 4.46Å
130A98.3Very high96.6Very high1 Ų121.3 Ų21.31%0.00810%0.104CC..EExtended strand (participates in β ladder)trans-136.2133.7-179.800000109.9V37 I38 P40 F138 G204 F205V37-A130 HydrophobicContact CG1-CB 4.43Å; I38-A130 PolarHBondContact O-N 2.75Å; P40-A130 WeakPolarHBondContact CD-O 3.46Å; A130-F138 HydrophobicContact CB-CE1 4.32Å; A130-F138 HydrophobicContact CB-CE2 4.18Å; A130-F138 HydrophobicContact CB-CZ 3.61Å; A130-G204 CarbonylContact C-O 3.48Å; A130-G204 VanDerWaalsContact CA-O 3.26Å; A130-G204 WeakPolarHBondContact CA-O 3.42Å; A130-F205 HydrophobicContact CB-CD2 3.8Å; A130-F205 HydrophobicContact CB-CE2 4.03Å
131D96.2Very high96.7Very high36 Ų3621.3 Ų21.319%0.19310%0.104CC..  trans-64.4141.1179.1-76.2-1000111.7K111 D133 G134 G204K111-D131 WeakPolarHBondContact CE-OD1 3.28Å; K111-D131 IonicContact NZ-OD1 3.57Å; K111-D131 PolarHBondContact NZ-OD1 2.69Å; K111-D131 IonicContact NZ-OD2 3.84Å; K111-D131 PolarHBondContact NZ-OD2 3.1Å; D131-D133 PolarHBondContact O-N 2.99Å; D131-D133 VanDerWaalsContact O-N 3.15Å; D131-G134 PolarHBondContact O-N 3.28Å; D131-G204 PolarHBondContact N-O 2.82Å; D131-G204 WeakPolarHBondContact OD2-CA 3.49Å
132A95.8Very high96.7Very high4 Ų425.8 Ų25.83%0.03313%0.125CC..THydrogen-bonded Turntrans-67.5-12.4-175.500000114.6V39 P40 E44 L48 M51 G134V39-A132 HydrophobicContact CG1-CB 3.89Å; P40-A132 WeakPolarHBondContact O-CB 3.5Å; E44-A132 HydrophobicContact CB-CB 4.26Å; E44-A132 HydrophobicContact CG-CB 3.83Å; L48-A132 HydrophobicContact CD1-CB 4.24Å; M51-A132 WeakPolarHBondContact CB-O 3.21Å; A132-G134 VanDerWaalsContact C-N 3.26Å; A132-G134 PolarHBondContact O-N 3.11Å
133D92.5Very high96.7Very high41 Ų4129.3 Ų29.322%0.21914%0.143CC..THydrogen-bonded Turntrans-75.2-15.8176.266.48000113.2D131 A135 V252D131-D133 PolarHBondContact O-N 2.99Å; D131-D133 VanDerWaalsContact O-N 3.15Å; D133-A135 VanDerWaalsContact C-N 3.3Å; D133-A135 PolarHBondContact O-N 2.7Å; D133-A135 VanDerWaalsContact OD1-CB 3.29Å; D133-A135 WeakPolarHBondContact OD1-CB 3.21Å; D133-A135 PolarHBondContact OD1-N 2.94Å; D133-V252 HydrophobicContact CB-CB 4.36Å; D133-V252 HydrophobicContact CB-CG1 4.17Å
134G91.7Very high96.8Very high9 Ų927.7 Ų27.79%0.09314%0.137CC..  trans68.625.4-178.300000113.7M51 D131 A132 T136 H250M51-G134 VanDerWaalsContact CG-CA 3.4Å; D131-G134 PolarHBondContact O-N 3.28Å; A132-G134 VanDerWaalsContact C-N 3.26Å; A132-G134 PolarHBondContact O-N 3.11Å; G134-T136 PolarHBondContact O-N 2.78Å; G134-H250 PolarHBondContact O-CE1 3.19Å
135A92.8Very high96.8Very high4 Ų428.9 Ų28.93%0.03314%0.143CC..  trans-64.1-24.2-177.800000113.7D133 W249 H250 V252D133-A135 VanDerWaalsContact C-N 3.3Å; D133-A135 PolarHBondContact O-N 2.7Å; D133-A135 VanDerWaalsContact OD1-CB 3.29Å; D133-A135 WeakPolarHBondContact OD1-CB 3.21Å; D133-A135 PolarHBondContact OD1-N 2.94Å; A135-W249 WeakPolarHBondContact O-CA 3.35Å; A135-H250 PolarHBondContact O-N 3.04Å; A135-H250 PolarHBondContact O-ND1 2.82Å; A135-V252 HydrophobicContact CB-CG2 3.9Å
136T94.5Very high96.8Very high5 Ų528.7 Ų28.73%0.03115%0.145CC..BIsolated β-bridgetrans-104.714117551.30000111.6G134 F205 V247 N248G134-T136 PolarHBondContact O-N 2.78Å; T136-F205 HydrophobicContact CG2-CB 3.83Å; T136-F205 HydrophobicContact CG2-CG 4.39Å; T136-F205 WeakPolarHBondContact OG1-CD2 3.47Å; T136-V247 HydrophobicContact CG2-CG2 4.05Å; T136-N248 WeakPolarHBondContact CA-O 3.24Å
137K94.6Very high96.7Very high98 Ų9827.2 Ų27.243%0.42614%0.139SC..  trans-78.8136.2177.9-62-174.1-178.3173.20111.7S139 D140 N248K137-S139 PolarHBondContact O-N 3.38Å; K137-D140 WeakPolarHBondContact O-CB 3.41Å; K137-D140 PolarHBondContact O-N 3.09Å; K137-N248 HydrophobicContact CB-CB 4.31Å; K137-N248 HydrophobicContact CD-CB 3.75Å; K137-N248 HydrophobicContact CG-CB 3.97Å; K137-N248 PolarHBondContact N-O 3.26Å
138F96.9Very high96.7Very high1 Ų127.3 Ų27.30%0.00414%0.139CC..G310 helixtrans-67.9-20.5178.2-88.3-98.9000113.7V37 M51 E54 C55 Y58 L128 A130 D140 L141 F205V37-F138 HydrophobicContact CG1-CE1 3.76Å; V37-F138 HydrophobicContact CG1-CZ 3.98Å; V37-F138 HydrophobicContact CG2-CE1 4.23Å; M51-F138 HydrophobicContact CG-CE2 4.3Å; M51-F138 HydrophobicContact SD-CE2 3.58Å; M51-F138 VanDerWaalsContact SD-CE2 3.58Å; M51-F138 HydrophobicContact SD-CZ 3.9Å; E54-F138 WeakPolarHBondContact OE1-CB 3.38Å; E54-F138 PolarHBondContact OE1-N 3.37Å; E54-F138 VanDerWaalsContact OE2-CD2 3.24Å; E54-F138 WeakPolarHBondContact OE2-CD2 3.4Å; C55-F138 HydrophobicContact CB-CD1 4.12Å; C55-F138 HydrophobicContact CB-CD2 3.83Å; C55-F138 HydrophobicContact CB-CE1 3.87Å; C55-F138 HydrophobicContact CB-CE2 3.54Å; C55-F138 HydrophobicContact CB-CG 4.09Å; C55-F138 HydrophobicContact CB-CZ 3.55Å; C55-F138 WeakPolarHBondContact SG-CE1 3.38Å; C55-F138 WeakPolarHBondContact SG-CZ 3.38Å; Y58-F138 HydrophobicContact CD1-CB 3.76Å; Y58-F138 HydrophobicContact CE1-CB 4.44Å; Y58-F138 VanDerWaalsContact CE1-O 3.23Å; Y58-F138 WeakPolarHBondContact CE1-O 3.49Å; Y58-F138 HydrophobicContact CG-CB 3.95Å; L128-F138 HydrophobicContact CD2-CD1 4.35Å; L128-F138 HydrophobicContact CD2-CE1 3.93Å; A130-F138 HydrophobicContact CB-CE1 4.32Å; A130-F138 HydrophobicContact CB-CE2 4.18Å; A130-F138 HydrophobicContact CB-CZ 3.61Å; F138-D140 PolarHBondContact O-N 2.75Å; F138-D140 VanDerWaalsContact O-N 3.16Å; F138-L141 WeakPolarHBondContact O-CB 3.34Å; F138-L141 PolarHBondContact O-N 2.85Å; F138-F205 HydrophobicContact CD1-CE2 4.43Å; F138-F205 HydrophobicContact CE1-CE2 4.43Å
139S96Very high96.7Very high54 Ų5430.2 Ų30.238%0.37816%0.157SC..G310 helixtrans-56.8-25.6169.359.10000113.2K137 L141K137-S139 PolarHBondContact O-N 3.38Å; S139-L141 PolarHBondContact O-N 2.81Å
140D97.7Very high96.7Very high4 Ų434.9 Ų34.92%0.02118%0.182CC..G310 helixtrans-75.7-7.2178.7-60.8-26.4000113K137 F138 E142 L143 L144 F205 V247 N248K137-D140 WeakPolarHBondContact O-CB 3.41Å; K137-D140 PolarHBondContact O-N 3.09Å; F138-D140 PolarHBondContact O-N 2.75Å; F138-D140 VanDerWaalsContact O-N 3.16Å; D140-E142 PolarHBondContact O-N 2.95Å; D140-L143 HydrophobicContact CB-CD1 4.12Å; D140-L143 WeakPolarHBondContact O-CB 3.3Å; D140-L143 PolarHBondContact O-N 3.4Å; D140-L144 WeakPolarHBondContact O-CD1 3.46Å; D140-L144 PolarHBondContact O-N 2.82Å; D140-F205 HydrophobicContact CB-CE1 4.28Å; D140-V247 HydrophobicContact CB-CB 4.24Å; D140-V247 HydrophobicContact CB-CG1 4.01Å; D140-V247 WeakPolarHBondContact OD2-CB 3.39Å; D140-N248 PolarHBondContact OD1-ND2 2.95Å; D140-N248 WeakPolarHBondContact OD2-CA 3.35Å; D140-N248 VanDerWaalsContact OD2-CB 3.26Å; D140-N248 WeakPolarHBondContact OD2-CB 3.48Å; D140-N248 PolarHBondContact OD2-N 3.38Å; D140-N248 PolarHBondContact OD2-ND2 3.5Å
141L98.4Very high96.6Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-54.1-41.3171.1175.458.8000111.1L35 Y58 L59 L128 F138 S139 L143 L144 E145 F205 L207L35-L141 HydrophobicContact CD2-CD2 3.51Å; Y58-L141 HydrophobicContact CE1-CB 4.18Å; Y58-L141 HydrophobicContact CE1-CD2 4.13Å; L59-L141 HydrophobicContact CD2-CD2 4.43Å; L128-L141 HydrophobicContact CD1-CD1 4.4Å; L128-L141 HydrophobicContact CD2-CD1 4.17Å; F138-L141 WeakPolarHBondContact O-CB 3.34Å; F138-L141 PolarHBondContact O-N 2.85Å; S139-L141 PolarHBondContact O-N 2.81Å; L141-L143 PolarHBondContact O-N 3.42Å; L141-L144 PolarHBondContact O-N 2.74Å; L141-L144 VanDerWaalsContact O-N 3.12Å; L141-E145 HydrophobicContact CD1-CG 4.15Å; L141-E145 HydrophobicContact CG-CG 4.33Å; L141-E145 WeakPolarHBondContact O-CG 3.45Å; L141-E145 PolarHBondContact O-N 2.94Å; L141-F205 HydrophobicContact CB-CZ 4.22Å; L141-L207 HydrophobicContact CD1-CD1 3.96Å; L141-L207 HydrophobicContact CD1-CD2 4.16Å
142E97.5Very high96.7Very high94 Ų9441.1 Ų41.144%0.43922%0.215SC..Hα-helixtrans-60.8-31.9177.6-81.4169.1-155.700111.8Y58 R65 D140 K146Y58-E142 WeakPolarHBondContact OH-CG 3.23Å; Y58-E142 PolarHBondContact OH-OE1 3.01Å; R65-E142 IonicContact NH2-OE1 3.37Å; D140-E142 PolarHBondContact O-N 2.95Å; E142-K146 WeakPolarHBondContact O-CB 3.5Å; E142-K146 PolarHBondContact O-N 3.25Å
143L98.3Very high96.7Very high73 Ų7343.9 Ų43.938%0.38224%0.243SC..Hα-helixtrans-70.5-40.2176.3-54.7176.4000111.4D140 L141 A147 V245D140-L143 HydrophobicContact CB-CD1 4.12Å; D140-L143 WeakPolarHBondContact O-CB 3.3Å; D140-L143 PolarHBondContact O-N 3.4Å; L141-L143 PolarHBondContact O-N 3.42Å; L143-A147 WeakPolarHBondContact O-CB 3.2Å; L143-A147 PolarHBondContact O-N 3.26Å; L143-V245 HydrophobicContact CB-CG1 3.53Å; L143-V245 HydrophobicContact CD1-CG1 4.43Å
144L98.8Very high97Very high0 Ų046.9 Ų46.90%026%0.259CS..Hα-helixtrans-67.4-43.2176.4-84.668.3000111.1L128 D140 L141 A147 I148 A160 F205 L207 V245 V247L128-L144 HydrophobicContact CD1-CD2 4.35Å; D140-L144 WeakPolarHBondContact O-CD1 3.46Å; D140-L144 PolarHBondContact O-N 2.82Å; L141-L144 PolarHBondContact O-N 2.74Å; L141-L144 VanDerWaalsContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 3.49Å; L144-I148 PolarHBondContact O-N 2.89Å; L144-I148 VanDerWaalsContact O-N 3.17Å; L144-A160 HydrophobicContact CB-CB 3.98Å; L144-A160 HydrophobicContact CG-CB 4.09Å; L144-A160 WeakPolarHBondContact O-CB 3.18Å; L144-F205 HydrophobicContact CD1-CD1 3.93Å; L144-F205 HydrophobicContact CD1-CE1 4Å; L144-F205 HydrophobicContact CD2-CD1 3.68Å; L144-F205 HydrophobicContact CD2-CE1 3.97Å; L144-F205 HydrophobicContact CG-CD1 4.49Å; L144-L207 HydrophobicContact CB-CB 4.03Å; L144-L207 HydrophobicContact CB-CD2 3.98Å; L144-L207 HydrophobicContact CD2-CB 3.76Å; L144-L207 HydrophobicContact CG-CB 4.47Å; L144-V245 HydrophobicContact CD1-CB 4.15Å; L144-V245 HydrophobicContact CD1-CG1 4.22Å; L144-V247 HydrophobicContact CD1-CG1 3.87Å
145E98.5Very high97.2Very high24 Ų2448.1 Ų48.111%0.11227%0.266CS..Hα-helixtrans-61.4-47.3175.2-72.6174.6129.900111.2R62 Q126 L141 A147 I148 V149 L207R62-E145 IonicContact CZ-OE1 2.63Å; R62-E145 VanDerWaalsContact CZ-OE1 3.31Å; R62-E145 IonicContact CZ-OE2 3.88Å; R62-E145 IonicContact NH1-OE1 2.76Å; R62-E145 PolarHBondContact NH1-OE1 3.18Å; R62-E145 IonicContact NH1-OE2 2.95Å; R62-E145 PolarHBondContact NH1-OE2 2.96Å; R62-E145 IonicContact NH2-OE1 2.99Å; R62-E145 PolarHBondContact NH2-OE1 3.22Å; R62-E145 IonicContact NH2-OE2 2.72Å; R62-E145 PolarHBondContact NH2-OE2 2.87Å; Q126-E145 PolarHBondContact OE1-OE1 2.74Å; L141-E145 HydrophobicContact CD1-CG 4.15Å; L141-E145 HydrophobicContact CG-CG 4.33Å; L141-E145 WeakPolarHBondContact O-CG 3.45Å; L141-E145 PolarHBondContact O-N 2.94Å; E145-A147 VanDerWaalsContact C-N 3.3Å; E145-A147 PolarHBondContact O-N 2.85Å; E145-I148 PolarHBondContact O-N 3.35Å; E145-I148 VanDerWaalsContact O-N 3.16Å; E145-V149 WeakPolarHBondContact O-CG2 3.32Å; E145-V149 PolarHBondContact O-N 3.1Å; E145-L207 HydrophobicContact CB-CD2 4.43Å; E145-L207 HydrophobicContact CG-CD2 3.68Å
146K98.3Very high97.4Very high123 Ų12352 Ų5254%0.53530%0.298SS..Hα-helixtrans-59.2-41.6176.9-172.5-178.9-179.9-177.10111.6E142 I148 V149 D150E142-K146 WeakPolarHBondContact O-CB 3.5Å; E142-K146 PolarHBondContact O-N 3.25Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 3.47Å; K146-V149 PolarHBondContact O-N 3.19Å; K146-V149 VanDerWaalsContact O-N 3.16Å; K146-D150 WeakPolarHBondContact CE-OD2 3.15Å; K146-D150 HydrophobicContact CG-CB 4.26Å; K146-D150 WeakPolarHBondContact CG-OD2 3.39Å; K146-D150 WeakPolarHBondContact O-CB 3.3Å; K146-D150 PolarHBondContact O-N 3.02Å
147A98.5Very high97.6Very high1 Ų154.1 Ų54.11%0.00831%0.311CS..Iπ-helixtrans-63.8-36.217800000112.6L143 L144 E145 D151 L152 A243 V245L143-A147 WeakPolarHBondContact O-CB 3.2Å; L143-A147 PolarHBondContact O-N 3.26Å; L144-A147 PolarHBondContact O-N 3.49Å; E145-A147 VanDerWaalsContact C-N 3.3Å; E145-A147 PolarHBondContact O-N 2.85Å; A147-D151 WeakPolarHBondContact O-CB 3.45Å; A147-D151 PolarHBondContact O-N 3.35Å; A147-L152 PolarHBondContact O-N 2.82Å; A147-A243 HydrophobicContact CB-CB 3.73Å; A147-V245 HydrophobicContact CB-CG2 3.35Å
148I98.6Very high97.8Very high1 Ų149.4 Ų49.41%0.00529%0.291CS..Iπ-helixtrans-64.1-44172.7-66.1179.7000110.9L144 E145 K146 N154 A158 A160 L207 T209L144-I148 PolarHBondContact O-N 2.89Å; L144-I148 VanDerWaalsContact O-N 3.17Å; E145-I148 PolarHBondContact O-N 3.35Å; E145-I148 VanDerWaalsContact O-N 3.16Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 3.47Å; I148-N154 VanDerWaalsContact O-CA 3.29Å; I148-N154 WeakPolarHBondContact O-CA 3.29Å; I148-N154 PolarHBondContact O-N 3.42Å; I148-A158 HydrophobicContact CG1-CB 4.33Å; I148-A158 HydrophobicContact CG2-CB 4.03Å; I148-A160 HydrophobicContact CD1-CB 4.08Å; I148-A160 HydrophobicContact CG1-CB 3.74Å; I148-L207 HydrophobicContact CD1-CD2 3.79Å; I148-L207 HydrophobicContact CD1-CG 4.1Å; I148-T209 HydrophobicContact CD1-CG2 4.49Å
149V98.3Very high97.9Very high62 Ų6249.4 Ų49.438%0.37629%0.29SS..Iπ-helixtrans-75.3-55.1-174.8177.80000111.7E145 K146 G153 N154E145-V149 WeakPolarHBondContact O-CG2 3.32Å; E145-V149 PolarHBondContact O-N 3.1Å; K146-V149 PolarHBondContact O-N 3.19Å; K146-V149 VanDerWaalsContact O-N 3.16Å; V149-G153 CarbonylContact O-C 3.56Å; V149-G153 VanDerWaalsContact O-CA 3.3Å; V149-G153 WeakPolarHBondContact O-CA 3.43Å; V149-G153 PolarHBondContact O-N 3.32Å; V149-N154 HydrophobicContact CB-CB 4.47Å; V149-N154 HydrophobicContact CG1-CB 4.27Å; V149-N154 PolarHBondContact O-N 3.25Å
150D97.9Very high98Very high98 Ų9846.8 Ų46.852%0.52427%0.272SS..Iπ-helixtrans-86.7-48.9-168.9-64.2-6.2000111.5K146K146-D150 WeakPolarHBondContact CE-OD2 3.15Å; K146-D150 HydrophobicContact CG-CB 4.26Å; K146-D150 WeakPolarHBondContact CG-OD2 3.39Å; K146-D150 WeakPolarHBondContact O-CB 3.3Å; K146-D150 PolarHBondContact O-N 3.02Å
151D97.1Very high98.1Very high121 Ų12146.6 Ų46.665%0.64727%0.271SS*.Iπ-helixtrans-80.3-37-172.5-56.5-22.1000111.9A147A147-D151 WeakPolarHBondContact O-CB 3.45Å; A147-D151 PolarHBondContact O-N 3.35Å
152L97.5Very high98Very high47 Ų4746.6 Ų46.625%0.24627%0.271CS..SBendtrans-94.9-7.2178.9-55.6-179.7000113.7A147 P155 A158 P241 A243A147-L152 PolarHBondContact O-N 2.82Å; L152-P155 HydrophobicContact CB-CG 4.13Å; L152-P155 WeakPolarHBondContact O-CD 3.25Å; L152-A158 HydrophobicContact CD1-CB 3.87Å; L152-P241 HydrophobicContact CB-CB 4.47Å; L152-P241 HydrophobicContact CD1-CB 3.98Å; L152-P241 HydrophobicContact CD2-CB 4.09Å; L152-P241 HydrophobicContact CG-CB 4.41Å; L152-A243 HydrophobicContact CD1-CB 3.85Å; L152-A243 HydrophobicContact CD2-CB 4.1Å; L152-A243 HydrophobicContact CG-CB 3.93Å
153G97.4Very high98Very high61 Ų6142.3 Ų42.363%0.62925%0.252SS*.  trans77.329.8-179.500000114.6V149V149-G153 CarbonylContact O-C 3.56Å; V149-G153 VanDerWaalsContact O-CA 3.3Å; V149-G153 WeakPolarHBondContact O-CA 3.43Å; V149-G153 PolarHBondContact O-N 3.32Å
154N96.8Very high97.7Very high104 Ų10442.1 Ų42.156%0.55625%0.246SC*.  trans52.849.9178-162.625.4000115I148 V149I148-N154 VanDerWaalsContact O-CA 3.29Å; I148-N154 WeakPolarHBondContact O-CA 3.29Å; I148-N154 PolarHBondContact O-N 3.42Å; V149-N154 HydrophobicContact CB-CB 4.47Å; V149-N154 HydrophobicContact CG1-CB 4.27Å; V149-N154 PolarHBondContact O-N 3.25Å
155P97.8Very high97Very high35 Ų3542.9 Ų42.923%0.22725%0.252CS..  trans-70.2151179.833.5-37000110.5L152 T157 A158 P241L152-P155 HydrophobicContact CB-CG 4.13Å; L152-P155 WeakPolarHBondContact O-CD 3.25Å; P155-T157 PolarHBondContact O-N 3.2Å; P155-T157 VanDerWaalsContact O-N 3.15Å; P155-A158 HydrophobicContact CG-CB 3.69Å; P155-P241 HydrophobicContact CG-CB 4.49Å; P155-P241 HydrophobicContact CG-CG 4.32Å
156A97.1Very high96.3Very high87 Ų8746.3 Ų46.372%0.71927%0.268SS*.SBendtrans-61.3-25.6177.900000113.2T209 S211A156-T209 PolarHBondContact O-OG1 2.91Å; A156-S211 PolarHBondContact O-OG 3.37Å
157T98.3Very high95.3Very high48 Ų4842.5 Ų42.529%0.29425%0.253SS..SBendtrans-125.6112.5-179.4-540000108.9P155 T209 S211 A212 I240 P241P155-T157 PolarHBondContact O-N 3.2Å; P155-T157 VanDerWaalsContact O-N 3.15Å; T157-T209 WeakPolarHBondContact CA-OG1 3.49Å; T157-S211 WeakPolarHBondContact CA-OG 3.5Å; T157-S211 PolarHBondContact OG1-OG 3.36Å; T157-S211 VanDerWaalsContact OG1-OG 3.12Å; T157-A212 HydrophobicContact CG2-CB 3.79Å; T157-I240 HydrophobicContact CG2-CD1 3.99Å; T157-I240 HydrophobicContact CG2-CG1 3.91Å; T157-I240 HydrophobicContact CG2-CG2 3.97Å; T157-P241 WeakPolarHBondContact O-CD 3.23Å
158A98.6Very high94.3Very high0 Ų044.3 Ų44.30%026%0.261CS..  trans-155.5160.6179.300000113I148 L152 P155 T209 A212I148-A158 HydrophobicContact CG1-CB 4.33Å; I148-A158 HydrophobicContact CG2-CB 4.03Å; L152-A158 HydrophobicContact CD1-CB 3.87Å; P155-A158 HydrophobicContact CG-CB 3.69Å; A158-T209 HydrophobicContact CB-CG2 4.15Å; A158-T209 PolarHBondContact N-OG1 3.41Å; A158-T209 VanDerWaalsContact N-OG1 3.08Å; A158-T209 PolarHBondContact O-N 3.19Å; A158-A212 VanDerWaalsContact O-CB 3.3Å; A158-A212 WeakPolarHBondContact O-CB 3.5Å
159V98.7Very high93Very high0 Ų052.4 Ų52.40%030%0.297CS..EExtended strand (participates in β ladder)trans-124.5135.8171-1760000108.9V161 L207 F208 A212 L216 L232 A235 I240 P241 I242 A243V159-V161 HydrophobicContact CG1-CG1 3.84Å; V159-L207 WeakPolarHBondContact CA-O 3.32Å; V159-F208 HydrophobicContact CB-CD1 4.35Å; V159-F208 HydrophobicContact CB-CE1 4.41Å; V159-F208 HydrophobicContact CG1-CD1 3.91Å; V159-F208 HydrophobicContact CG1-CE1 3.57Å; V159-F208 HydrophobicContact CG1-CZ 4.22Å; V159-F208 HydrophobicContact CG2-CD1 3.74Å; V159-F208 HydrophobicContact CG2-CE1 3.98Å; V159-A212 HydrophobicContact CG2-CB 4.22Å; V159-L216 HydrophobicContact CG2-CD1 3.92Å; V159-L232 HydrophobicContact CG1-CD2 4.44Å; V159-A235 HydrophobicContact CG2-CB 4.48Å; V159-I240 HydrophobicContact CG2-CG2 3.98Å; V159-P241 PolarHBondContact N-O 2.81Å; V159-I242 HydrophobicContact CB-CG1 4.44Å; V159-I242 HydrophobicContact CB-CG2 4.37Å; V159-I242 HydrophobicContact CG1-CG2 4.44Å; V159-I242 CarbonylContact O-C 3.52Å; V159-I242 VanDerWaalsContact O-CA 3.28Å; V159-I242 WeakPolarHBondContact O-CA 3.39Å; V159-A243 PolarHBondContact O-N 2.71Å
160A98.7Very high91.7Very high0 Ų056.1 Ų56.10%031%0.31CS..EExtended strand (participates in β ladder)trans-120.9128.616500000109.2L144 I148 K206 L207 A243L144-A160 HydrophobicContact CB-CB 3.98Å; L144-A160 HydrophobicContact CG-CB 4.09Å; L144-A160 WeakPolarHBondContact O-CB 3.18Å; I148-A160 HydrophobicContact CD1-CB 4.08Å; I148-A160 HydrophobicContact CG1-CB 3.74Å; A160-K206 CarbonylContact O-C 3.49Å; A160-K206 WeakPolarHBondContact O-CA 3.28Å; A160-L207 HydrophobicContact CB-CB 4.43Å; A160-L207 PolarHBondContact N-O 3.32Å; A160-L207 PolarHBondContact O-N 2.84Å; A160-A243 CarbonylContact C-O 3.59Å; A160-A243 WeakPolarHBondContact CA-O 3.49Å; A160-A243 HydrophobicContact CB-CB 4.38Å
161V98.5Very high90.3Very high0 Ų052.4 Ų52.40%029%0.292CS..EExtended strand (participates in β ladder)trans-113.6135.9-179.3-54.90000110.3V159 V198 K206 L232 I242 A243 E244 V245V159-V161 HydrophobicContact CG1-CG1 3.84Å; V161-V198 HydrophobicContact CG2-CG1 3.8Å; V161-V198 HydrophobicContact CG2-CG2 4.42Å; V161-K206 HydrophobicContact CB-CD 4.2Å; V161-K206 HydrophobicContact CB-CG 4Å; V161-K206 HydrophobicContact CG1-CB 4.35Å; V161-K206 HydrophobicContact CG1-CD 3.59Å; V161-K206 HydrophobicContact CG1-CG 3.81Å; V161-L232 HydrophobicContact CG1-CD2 3.82Å; V161-I242 HydrophobicContact CG1-CG2 4.32Å; V161-A243 PolarHBondContact N-O 3.01Å; V161-E244 HydrophobicContact CG2-CB 4.13Å; V161-E244 HydrophobicContact CG2-CG 4.14Å; V161-V245 PolarHBondContact O-N 2.92Å
162G97.6Very high88.9Confident0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-66.1155.6164.500000110.9C203 F205 V245G162-C203 VanDerWaalsContact C-SG 3.58Å; G162-C203 WeakPolarHBondContact O-CB 3.3Å; G162-F205 PolarHBondContact N-O 3.44Å; G162-V245 CarbonylContact C-O 3.59Å; G162-V245 WeakPolarHBondContact CA-O 3.4Å
163S96.1Very high87.5Confident3 Ų352.9 Ų52.92%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-146.8133-179179.80000112.2A165 H166 D200 E244 V245 V247S163-A165 VanDerWaalsContact OG-CB 3.26Å; S163-A165 WeakPolarHBondContact OG-CB 3.07Å; S163-A165 PolarHBondContact OG-N 2.99Å; S163-H166 PolarHBondContact O-ND1 2.79Å; S163-D200 WeakPolarHBondContact OG-CB 3.13Å; S163-E244 VanDerWaalsContact CB-OE1 3.23Å; S163-E244 WeakPolarHBondContact CB-OE1 3.17Å; S163-E244 PolarHBondContact OG-OE1 3.42Å; S163-V245 PolarHBondContact N-O 2.8Å; S163-V247 PolarHBondContact O-N 2.94Å
164R91.8Very high86.2Confident69 Ų6958.1 Ų58.126%0.2631%0.306SS..  trans-95.55.9173.4-55.8164.6-65.5-174.7-2.6111.9H166 L167 E168 D200 W249R164-H166 PolarHBondContact O-N 2.97Å; R164-L167 WeakPolarHBondContact O-CA 3.45Å; R164-L167 WeakPolarHBondContact O-CB 3.46Å; R164-L167 PolarHBondContact O-N 3.35Å; R164-E168 PolarHBondContact O-N 2.83Å; R164-D200 VanDerWaalsContact CB-OD2 3.27Å; R164-D200 WeakPolarHBondContact CB-OD2 3.19Å; R164-D200 WeakPolarHBondContact CG-OD2 3.34Å; R164-D200 IonicContact CZ-OD1 3.81Å; R164-D200 IonicContact CZ-OD2 3.87Å; R164-D200 PolarHBondContact N-OD2 3.41Å; R164-D200 IonicContact NE-OD1 2.77Å; R164-D200 IonicContact NE-OD2 3.85Å; R164-D200 PolarHBondContact NE-OD2 2.97Å; R164-D200 IonicContact NH2-OD1 3.77Å; R164-D200 PolarHBondContact NH2-OD1 2.74Å; R164-D200 IonicContact NH2-OD2 2.99Å; R164-D200 PolarHBondContact NH2-OD2 3.18Å; R164-W249 VanDerWaalsContact CD-CD1 3.45Å; R164-W249 HydrophobicContact CG-CB 3.78Å; R164-W249 HydrophobicContact CG-CD2 4.1Å; R164-W249 HydrophobicContact CG-CG 3.6Å
165A84.9Confident85.2Confident16 Ų1656.3 Ų56.313%0.13229%0.292CS..Hα-helixtrans-55.5-29.3-174.500000113.4S163 L167 E168 R199S163-A165 VanDerWaalsContact OG-CB 3.26Å; S163-A165 WeakPolarHBondContact OG-CB 3.07Å; S163-A165 PolarHBondContact OG-N 2.99Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-E168 PolarHBondContact O-N 3.02Å; A165-R199 HydrophobicContact CB-CB 4.19Å
166H83.7Confident84.4Confident96 Ų9658.5 Ų58.544%0.44431%0.308SS..Hα-helixtrans-70.3-26.6176.368-76.9000113.4S163 R164 V247S163-H166 PolarHBondContact O-ND1 2.79Å; R164-H166 PolarHBondContact O-N 2.97Å; H166-V247 PolarHBondContact CE1-O 2.8Å
167L78.1Confident83.6Confident44 Ų4460.8 Ų60.823%0.2331%0.307CS..Hα-helixtrans-87.3-14.4177.2-57.4176.3000112.8R164 A165 K169 E170 S171 W249R164-L167 WeakPolarHBondContact O-CA 3.45Å; R164-L167 WeakPolarHBondContact O-CB 3.46Å; R164-L167 PolarHBondContact O-N 3.35Å; A165-L167 VanDerWaalsContact C-N 3.33Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.31Å; L167-E170 PolarHBondContact O-N 3.06Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-W249 HydrophobicContact CD1-CB 3.92Å; L167-W249 HydrophobicContact CD1-CE3 4.13Å
168E76Confident82.9Confident38 Ų3864 Ų6418%0.17832%0.317CS..Hα-helixtrans-56-43.4-176.4-75.1-177.6-178.900111.6R164 A165 E170 S171 I172 H187R164-E168 PolarHBondContact O-N 2.83Å; A165-E168 PolarHBondContact O-N 3.02Å; E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 3.08Å; E168-S171 WeakPolarHBondContact CA-OG 3.49Å; E168-S171 PolarHBondContact O-N 2.91Å; E168-S171 VanDerWaalsContact O-N 3.16Å; E168-S171 PolarHBondContact O-OG 3.17Å; E168-I172 WeakPolarHBondContact O-CD1 3.38Å; E168-I172 WeakPolarHBondContact O-CG1 3.47Å; E168-I172 PolarHBondContact O-N 3.4Å; E168-H187 IonicContact OE1-CE1 3.32Å; E168-H187 PolarHBondContact OE1-CE1 3.26Å; E168-H187 VanDerWaalsContact OE1-CE1 3.32Å
169K71.9Confident82.1Confident172 Ų17269.8 Ų69.875%0.74834%0.339SS*.Hα-helixtrans-58.8-44.4-179.7-67.9-176.1-179.4178.20112.4L167L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.31Å
170E71.1Confident81.4Confident139 Ų13970.8 Ų70.865%0.6535%0.345SS*.Hα-helixtrans-68.8-39.5177.8-65-177.4174.600111.1L167 E168 V173L167-E170 PolarHBondContact O-N 3.06Å; E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 3.08Å; E170-V173 PolarHBondContact O-N 3.24Å
171S68.7Low80.8Confident21 Ų2175.9 Ų75.915%0.14737%0.371CS..Hα-helixtrans-69.1-33.9-179.779.90000113.6L167 E168 V173 Q174 R175L167-S171 PolarHBondContact O-N 2.9Å; E168-S171 WeakPolarHBondContact CA-OG 3.49Å; E168-S171 PolarHBondContact O-N 2.91Å; E168-S171 VanDerWaalsContact O-N 3.16Å; E168-S171 PolarHBondContact O-OG 3.17Å; S171-V173 PolarHBondContact O-N 3.16Å; S171-Q174 PolarHBondContact O-N 3.06Å; S171-R175 WeakPolarHBondContact O-CB 3.44Å; S171-R175 WeakPolarHBondContact O-CD 3.48Å; S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 2.95Å
172I68.2Low80.1Confident51 Ų5178.7 Ų78.726%0.26239%0.385SS..Hα-helixtrans-62.2-35.3179.5-72.7159.9000110.7E168 Q174 T180 M183 F184E168-I172 WeakPolarHBondContact O-CD1 3.38Å; E168-I172 WeakPolarHBondContact O-CG1 3.47Å; E168-I172 PolarHBondContact O-N 3.4Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.94Å; I172-T180 HydrophobicContact CG1-CG2 4.26Å; I172-T180 HydrophobicContact CG2-CG2 3.88Å; I172-M183 HydrophobicContact CD1-CE 4.08Å; I172-M183 HydrophobicContact CG1-CE 4.15Å; I172-F184 HydrophobicContact CD1-CE2 4.24Å; I172-F184 HydrophobicContact CD1-CZ 3.74Å
173V67.5Low79.6Confident126 Ų12680.2 Ų80.276%0.76439%0.393SS*.Hα-helixtrans-67.3-29-179.31790000111.9E170 S171E170-V173 PolarHBondContact O-N 3.24Å; S171-V173 PolarHBondContact O-N 3.16Å
174Q70.5Confident79.2Confident172 Ų17285 Ų8580%0.80441%0.414SS*.Hα-helixtrans-96.6-14.5-176.5-62.1-175.7-4.100113.7S171 I172S171-Q174 PolarHBondContact O-N 3.06Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.94Å
175R75.2Confident79Confident65 Ų6583.4 Ų83.425%0.24542%0.418CS..SBendtrans-96.8153.5-170.7-75172.7176.6-174.83112.6S171 I177S171-R175 WeakPolarHBondContact O-CB 3.44Å; S171-R175 WeakPolarHBondContact O-CD 3.48Å; S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 2.95Å; R175-I177 PolarHBondContact O-N 2.51Å
176S81.1Confident79.3Confident81 Ų8183.6 Ų83.657%0.56642%0.416SS*.  trans-55.4137.1171.2171.70000111F178 R179 T180S176-F178 PolarHBondContact O-N 3.02Å; S176-F178 VanDerWaalsContact O-N 3.08Å; S176-F178 PolarHBondContact OG-N 3.38Å; S176-R179 WeakPolarHBondContact O-CB 3.38Å; S176-R179 PolarHBondContact O-N 3.05Å; S176-T180 PolarHBondContact O-N 3.34Å; S176-T180 VanDerWaalsContact O-N 3.16Å; S176-T180 PolarHBondContact O-OG1 2.94Å
177I81.3Confident79.6Confident135 Ų13581.4 Ų81.469%0.69241%0.406SS*.Hα-helixtrans-49.5-38.2176.3-61.9173.3000111R175 T180 I181R175-I177 PolarHBondContact O-N 2.51Å; I177-T180 WeakPolarHBondContact O-CB 3.24Å; I177-T180 PolarHBondContact O-N 2.92Å; I177-I181 HydrophobicContact CG2-CD1 3.89Å; I177-I181 HydrophobicContact CG2-CG1 4.4Å; I177-I181 WeakPolarHBondContact O-CG1 3.44Å; I177-I181 PolarHBondContact O-N 3.23Å
178F83Confident80.3Confident116 Ų11683.9 Ų83.951%0.50942%0.419SS..Hα-helixtrans-63-43.4178.5-178.2-107.1000112.8S176 T180 I181 L182 F260S176-F178 PolarHBondContact O-N 3.02Å; S176-F178 VanDerWaalsContact O-N 3.08Å; S176-F178 PolarHBondContact OG-N 3.38Å; F178-T180 VanDerWaalsContact C-N 3.29Å; F178-T180 PolarHBondContact O-N 3.11Å; F178-I181 PolarHBondContact O-N 2.7Å; F178-L182 HydrophobicContact CD1-CD1 3.85Å; F178-L182 HydrophobicContact CD1-CG 4.47Å; F178-L182 HydrophobicContact CE1-CD1 3.31Å; F178-L182 HydrophobicContact CE1-CG 4.09Å; F178-L182 HydrophobicContact CE2-CD1 4.46Å; F178-L182 HydrophobicContact CE2-CG 4.42Å; F178-L182 HydrophobicContact CZ-CD1 3.66Å; F178-L182 HydrophobicContact CZ-CD2 4.33Å; F178-L182 HydrophobicContact CZ-CG 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.16Å; F178-L182 PolarHBondContact O-N 2.99Å; F178-F260 HydrophobicContact CE1-CD2 4.39Å; F178-F260 HydrophobicContact CZ-CD2 4.23Å; F178-F260 HydrophobicContact CZ-CE2 4.29Å
179R81.5Confident81.1Confident121 Ų12184.8 Ų84.846%0.45743%0.425SS..Hα-helixtrans-65.1-37.1177.3-173.6174.9178.9-176.60.9110.9S176 M183S176-R179 WeakPolarHBondContact O-CB 3.38Å; S176-R179 PolarHBondContact O-N 3.05Å; R179-M183 WeakPolarHBondContact O-CB 3.49Å; R179-M183 PolarHBondContact O-N 2.77Å
180T83.6Confident82.2Confident21 Ų2176.9 Ų76.913%0.12939%0.391CS..Hα-helixtrans-65.1-44.4175.7-590000111.8I172 S176 I177 F178 M183 F184I172-T180 HydrophobicContact CG1-CG2 4.26Å; I172-T180 HydrophobicContact CG2-CG2 3.88Å; S176-T180 PolarHBondContact O-N 3.34Å; S176-T180 VanDerWaalsContact O-N 3.16Å; S176-T180 PolarHBondContact O-OG1 2.94Å; I177-T180 WeakPolarHBondContact O-CB 3.24Å; I177-T180 PolarHBondContact O-N 2.92Å; F178-T180 VanDerWaalsContact C-N 3.29Å; F178-T180 PolarHBondContact O-N 3.11Å; T180-M183 PolarHBondContact O-N 3.41Å; T180-F184 HydrophobicContact CG2-CD2 3.69Å; T180-F184 HydrophobicContact CG2-CE2 3.4Å; T180-F184 WeakPolarHBondContact O-CD2 3.24Å; T180-F184 PolarHBondContact O-N 2.95Å
181I85.5Confident83.3Confident107 Ų10776.9 Ų76.955%0.54939%0.385SS..Hα-helixtrans-62.4-46.2175.7-68.6167.4000111I177 F178 M183 F184 G185I177-I181 HydrophobicContact CG2-CD1 3.89Å; I177-I181 HydrophobicContact CG2-CG1 4.4Å; I177-I181 WeakPolarHBondContact O-CG1 3.44Å; I177-I181 PolarHBondContact O-N 3.23Å; F178-I181 PolarHBondContact O-N 2.7Å; I181-M183 VanDerWaalsContact C-N 3.32Å; I181-M183 PolarHBondContact O-N 3.16Å; I181-F184 PolarHBondContact O-N 3.46Å; I181-G185 PolarHBondContact O-N 2.56Å
182L84.9Confident84.4Confident59 Ų5979.7 Ų79.731%0.30940%0.398SS..Hα-helixtrans-59.7-42.7177.6-76.7177.4000112.1F178 G185 F186F178-L182 HydrophobicContact CD1-CD1 3.85Å; F178-L182 HydrophobicContact CD1-CG 4.47Å; F178-L182 HydrophobicContact CE1-CD1 3.31Å; F178-L182 HydrophobicContact CE1-CG 4.09Å; F178-L182 HydrophobicContact CE2-CD1 4.46Å; F178-L182 HydrophobicContact CE2-CG 4.42Å; F178-L182 HydrophobicContact CZ-CD1 3.66Å; F178-L182 HydrophobicContact CZ-CD2 4.33Å; F178-L182 HydrophobicContact CZ-CG 4.05Å; F178-L182 WeakPolarHBondContact O-CG 3.16Å; F178-L182 PolarHBondContact O-N 2.99Å; L182-G185 PolarHBondContact O-N 2.81Å; L182-F186 VanDerWaalsContact O-CB 3.29Å; L182-F186 WeakPolarHBondContact O-CB 3.26Å; L182-F186 PolarHBondContact O-N 2.86Å
183M86.3Confident85.5Confident33 Ų3379.9 Ų79.916%0.16340%0.397CS..Hα-helixtrans-61.7-50.6177.2-178-163.477.900111.6I172 R179 T180 I181 G185 F186 H187I172-M183 HydrophobicContact CD1-CE 4.08Å; I172-M183 HydrophobicContact CG1-CE 4.15Å; R179-M183 WeakPolarHBondContact O-CB 3.49Å; R179-M183 PolarHBondContact O-N 2.77Å; T180-M183 PolarHBondContact O-N 3.41Å; I181-M183 VanDerWaalsContact C-N 3.32Å; I181-M183 PolarHBondContact O-N 3.16Å; M183-G185 PolarHBondContact O-N 2.85Å; M183-F186 WeakPolarHBondContact O-CB 3.36Å; M183-F186 PolarHBondContact O-N 2.81Å; M183-H187 PolarHBondContact O-N 3.5Å
184F87.7Confident86.7Confident104 Ų10474.3 Ų74.346%0.45636%0.364SS..Hα-helixtrans-64.6-39.1178.3-75.1-56.9000112.7I172 T180 I181 F186 H187 L188I172-F184 HydrophobicContact CD1-CE2 4.24Å; I172-F184 HydrophobicContact CD1-CZ 3.74Å; T180-F184 HydrophobicContact CG2-CD2 3.69Å; T180-F184 HydrophobicContact CG2-CE2 3.4Å; T180-F184 WeakPolarHBondContact O-CD2 3.24Å; T180-F184 PolarHBondContact O-N 2.95Å; I181-F184 PolarHBondContact O-N 3.46Å; F184-F186 VanDerWaalsContact C-N 3.33Å; F184-H187 PolarHBondContact O-N 2.93Å; F184-L188 WeakPolarHBondContact O-CB 3.33Å; F184-L188 PolarHBondContact O-N 2.89Å
185G88.8Confident87.9Confident34 Ų3466.2 Ų66.235%0.35133%0.326SS..Hα-helixtrans-61.6-41.7174.100000112I181 L182 M183 L188 L189I181-G185 PolarHBondContact O-N 2.56Å; L182-G185 PolarHBondContact O-N 2.81Å; M183-G185 PolarHBondContact O-N 2.85Å; G185-L188 PolarHBondContact O-N 3.32Å; G185-L189 WeakPolarHBondContact O-CG 3.43Å; G185-L189 PolarHBondContact O-N 2.86Å
186F89.6Confident88.7Confident21 Ų2171.3 Ų71.39%0.09235%0.345CS..Hα-helixtrans-63.2-47.6174.9-179.5-98.6000112L182 M183 F184 L188 L189 V190 Q202 V229 M266 I270L182-F186 VanDerWaalsContact O-CB 3.29Å; L182-F186 WeakPolarHBondContact O-CB 3.26Å; L182-F186 PolarHBondContact O-N 2.86Å; M183-F186 WeakPolarHBondContact O-CB 3.36Å; M183-F186 PolarHBondContact O-N 2.81Å; F184-F186 VanDerWaalsContact C-N 3.33Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 2.98Å; F186-L189 PolarHBondContact O-N 3.22Å; F186-L189 VanDerWaalsContact O-N 3.14Å; F186-V190 HydrophobicContact CD1-CG2 4.17Å; F186-V190 HydrophobicContact CE1-CG2 3.7Å; F186-V190 HydrophobicContact CE2-CG2 4.28Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 WeakPolarHBondContact O-CG2 3.19Å; F186-V190 PolarHBondContact O-N 3.48Å; F186-Q202 HydrophobicContact CE1-CG 4.21Å; F186-Q202 HydrophobicContact CZ-CG 4.43Å; F186-V229 HydrophobicContact CZ-CG2 4.37Å; F186-M266 HydrophobicContact CE2-CB 3.81Å; F186-M266 HydrophobicContact CE2-CE 4.42Å; F186-M266 HydrophobicContact CE2-SD 4.39Å; F186-M266 HydrophobicContact CZ-SD 4.46Å; F186-I270 HydrophobicContact CD2-CD1 3.79Å; F186-I270 HydrophobicContact CE2-CD1 3.24Å; F186-I270 HydrophobicContact CE2-CG1 4.43Å; F186-I270 HydrophobicContact CZ-CD1 3.8Å
187H90.8Very high89.2Confident49 Ų4971.8 Ų71.823%0.22735%0.345CS..Hα-helixtrans-59-40.4175.8-68.1174.4000111.9E168 M183 F184 V190 W191E168-H187 IonicContact OE1-CE1 3.32Å; E168-H187 PolarHBondContact OE1-CE1 3.26Å; E168-H187 VanDerWaalsContact OE1-CE1 3.32Å; M183-H187 PolarHBondContact O-N 3.5Å; F184-H187 PolarHBondContact O-N 2.93Å; H187-V190 PolarHBondContact O-N 2.83Å; H187-W191 VanDerWaalsContact O-CB 3.3Å; H187-W191 WeakPolarHBondContact O-CB 3.42Å; H187-W191 PolarHBondContact O-N 3.05Å
188L92.3Very high89.9Confident97 Ų9766 Ų6651%0.50832%0.315SS..Hα-helixtrans-62-44175.5179.663000111.8F184 G185 F186 W191 L192F184-L188 WeakPolarHBondContact O-CB 3.33Å; F184-L188 PolarHBondContact O-N 2.89Å; G185-L188 PolarHBondContact O-N 3.32Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 2.98Å; L188-W191 HydrophobicContact CD1-CE3 4.5Å; L188-W191 PolarHBondContact O-N 3.49Å; L188-L192 HydrophobicContact CD1-CD1 3.92Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 3.82Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 VanDerWaalsContact O-CG 3.22Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.13Å
189L93.8Very high90.3Very high57 Ų5768.5 Ų68.530%0.29832%0.321SS..Hα-helixtrans-63-47176.9-70.8176000111.8G185 F186 W191 L192 F193 I270G185-L189 WeakPolarHBondContact O-CG 3.43Å; G185-L189 PolarHBondContact O-N 2.86Å; F186-L189 PolarHBondContact O-N 3.22Å; F186-L189 VanDerWaalsContact O-N 3.14Å; L189-W191 VanDerWaalsContact C-N 3.3Å; L189-W191 PolarHBondContact O-N 2.91Å; L189-L192 PolarHBondContact O-N 3.36Å; L189-F193 HydrophobicContact CD2-CD2 4.16Å; L189-F193 HydrophobicContact CD2-CE2 3.82Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 WeakPolarHBondContact O-CD2 3.35Å; L189-F193 PolarHBondContact O-N 3.39Å; L189-I270 HydrophobicContact CB-CD1 4.38Å; L189-I270 HydrophobicContact CB-CG2 4.32Å
190V94.2Very high90.9Very high6 Ų663 Ų634%0.03630%0.301CS..Hα-helixtrans-57.5-45.6176.5171.80000110.7F186 H187 C194 V195 T201 V229 I270F186-V190 HydrophobicContact CD1-CG2 4.17Å; F186-V190 HydrophobicContact CE1-CG2 3.7Å; F186-V190 HydrophobicContact CE2-CG2 4.28Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 WeakPolarHBondContact O-CG2 3.19Å; F186-V190 PolarHBondContact O-N 3.48Å; H187-V190 PolarHBondContact O-N 2.83Å; V190-C194 CarbonylContact O-C 3.57Å; V190-C194 WeakPolarHBondContact O-CA 3.4Å; V190-C194 PolarHBondContact O-N 3.06Å; V190-V195 HydrophobicContact CG1-CB 4Å; V190-V195 HydrophobicContact CG1-CG2 4.39Å; V190-V195 PolarHBondContact O-N 3.36Å; V190-T201 HydrophobicContact CG1-CG2 3.81Å; V190-V229 HydrophobicContact CG1-CG1 4.25Å; V190-V229 HydrophobicContact CG2-CG1 4.35Å; V190-V229 HydrophobicContact CG2-CG2 4.06Å; V190-I270 HydrophobicContact CG2-CD1 3.49Å; V190-I270 VanDerWaalsContact CG2-CD1 3.49Å; V190-I270 HydrophobicContact CG2-CG1 4.33Å
191W94.1Very high91.4Very high139 Ų13962.1 Ų62.153%0.52730%0.296SS..Hα-helixtrans-67.8-40.5-179.1-178.985.8000113.4H187 L188 L189 V195H187-W191 VanDerWaalsContact O-CB 3.3Å; H187-W191 WeakPolarHBondContact O-CB 3.42Å; H187-W191 PolarHBondContact O-N 3.05Å; L188-W191 HydrophobicContact CD1-CE3 4.5Å; L188-W191 PolarHBondContact O-N 3.49Å; L189-W191 VanDerWaalsContact C-N 3.3Å; L189-W191 PolarHBondContact O-N 2.91Å; W191-V195 WeakPolarHBondContact CA-O 3.3Å
192L91.9Very high91.6Very high79 Ų7959.2 Ų59.241%0.41428%0.28SS..Hα-helixtrans-66.4-42.6179.3-76.3171.6000111.9L188 L189L188-L192 HydrophobicContact CD1-CD1 3.92Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 3.82Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 VanDerWaalsContact O-CG 3.22Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.13Å; L189-L192 PolarHBondContact O-N 3.36Å
193F91.9Very high92.1Very high56 Ų5656.4 Ų56.425%0.24627%0.265CS..Hα-helixtrans-107.9-26.7-166-68.7-63.7000114.8L189 I270 W274L189-F193 HydrophobicContact CD2-CD2 4.16Å; L189-F193 HydrophobicContact CD2-CE2 3.82Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 WeakPolarHBondContact O-CD2 3.35Å; L189-F193 PolarHBondContact O-N 3.39Å; F193-I270 HydrophobicContact CB-CG2 3.96Å; F193-I270 HydrophobicContact CD2-CG2 4.34Å; F193-W274 HydrophobicContact CB-CB 3.84Å; F193-W274 HydrophobicContact CB-CG 3.99Å; F193-W274 HydrophobicContact CD1-CB 4.2Å; F193-W274 AromaticContact CD1-CD2 3.53Å; F193-W274 HydrophobicContact CD1-CD2 3.53Å; F193-W274 AromaticContact CD1-CE3 3.74Å; F193-W274 HydrophobicContact CD1-CE3 3.74Å; F193-W274 AromaticContact CD1-CG 3.72Å; F193-W274 HydrophobicContact CD1-CG 3.72Å; F193-W274 HydrophobicContact CD1-CZ3 4.37Å; F193-W274 HydrophobicContact CE1-CD2 4.12Å; F193-W274 AromaticContact CE1-CE3 3.91Å; F193-W274 HydrophobicContact CE1-CE3 3.91Å; F193-W274 HydrophobicContact CE1-CZ3 4.13Å; F193-W274 HydrophobicContact CG-CB 4.38Å; F193-W274 HydrophobicContact CG-CG 4.3Å
194C93.3Very high92.5Very high9 Ų955.2 Ų55.26%0.06126%0.262CS..THydrogen-bonded Turntrans-128.3-77-168-63.50000113.5V190 V229 F233V190-C194 CarbonylContact O-C 3.57Å; V190-C194 WeakPolarHBondContact O-CA 3.4Å; V190-C194 PolarHBondContact O-N 3.06Å; C194-V229 HydrophobicContact CB-CG1 3.45Å; C194-V229 VanDerWaalsContact CB-CG1 3.45Å; C194-F233 HydrophobicContact CB-CB 4.26Å; C194-F233 HydrophobicContact CB-CD2 4.22Å; C194-F233 WeakPolarHBondContact O-CD2 3.17Å
195V94.2Very high93Very high1 Ų150.3 Ų50.31%0.00624%0.24CC..  trans-118.5124.7-163-174.70000109.3V190 W191 V198 T201 V229 L232 F233 E236V190-V195 HydrophobicContact CG1-CB 4Å; V190-V195 HydrophobicContact CG1-CG2 4.39Å; V190-V195 PolarHBondContact O-N 3.36Å; W191-V195 WeakPolarHBondContact CA-O 3.3Å; V195-V198 HydrophobicContact CG1-CB 3.9Å; V195-V198 HydrophobicContact CG1-CG2 4.14Å; V195-T201 HydrophobicContact CB-CG2 4.04Å; V195-T201 HydrophobicContact CG1-CG2 4.03Å; V195-T201 HydrophobicContact CG2-CG2 4.28Å; V195-V229 HydrophobicContact CG2-CG1 4.26Å; V195-L232 HydrophobicContact CB-CB 4.5Å; V195-L232 HydrophobicContact CG1-CB 3.99Å; V195-L232 HydrophobicContact CG2-CB 3.63Å; V195-F233 HydrophobicContact CG2-CB 4.36Å; V195-E236 VanDerWaalsContact CG1-OE1 3.26Å; V195-E236 WeakPolarHBondContact CG1-OE1 3.26Å
196R93Very high93.5Very high172 Ų17248.7 Ų48.765%0.64922%0.223SC*.SBendtrans-108.4-19.2-175.3-67-176.9179.3158.53114E236R196-E236 PolarHBondContact N-OE1 2.62Å; R196-E236 PolarHBondContact N-OE2 3.1Å; R196-E236 VanDerWaalsContact N-OE2 3.16Å
197T92.3Very high93.9Very high92 Ų9247.7 Ų47.756%0.56422%0.219SC*.SBendtrans-99.4-14-171.263.50000114.2E236T197-E236 VanDerWaalsContact CB-OE1 3.29Å; T197-E236 WeakPolarHBondContact CB-OE1 3.28Å; T197-E236 WeakPolarHBondContact CG2-OE1 3.4Å; T197-E236 PolarHBondContact N-OE1 2.84Å; T197-E236 PolarHBondContact OG1-OE1 2.79Å
198V94.1Very high94.3Very high12 Ų1245.3 Ų45.37%0.07321%0.208CC..  trans-115.9130.7-177.2-179.50000110.2V161 V195 T201 L232 I242V161-V198 HydrophobicContact CG2-CG1 3.8Å; V161-V198 HydrophobicContact CG2-CG2 4.42Å; V195-V198 HydrophobicContact CG1-CB 3.9Å; V195-V198 HydrophobicContact CG1-CG2 4.14Å; V198-T201 HydrophobicContact CB-CG2 4.24Å; V198-T201 HydrophobicContact CG1-CG2 4.17Å; V198-L232 HydrophobicContact CB-CD1 4.31Å; V198-L232 HydrophobicContact CG1-CD1 4.11Å; V198-L232 HydrophobicContact CG2-CD1 4.29Å; V198-I242 HydrophobicContact CG2-CG2 3.75Å
199R92.2Very high94.6Very high169 Ų16941.3 Ų41.364%0.63819%0.188SC*.SBendtrans-83-49.6178.7-64.9172.5-70.9-179.4-3.1112A165 E244A165-R199 HydrophobicContact CB-CB 4.19Å; R199-E244 WeakPolarHBondContact CB-OE1 3.42Å; R199-E244 IonicContact CZ-OE2 3.11Å; R199-E244 PolarHBondContact N-OE1 3.27Å; R199-E244 PolarHBondContact N-OE2 2.86Å; R199-E244 IonicContact NE-OE2 3.46Å; R199-E244 PolarHBondContact NE-OE2 3.44Å; R199-E244 IonicContact NH2-OE2 3.6Å; R199-E244 PolarHBondContact NH2-OE2 2.67Å
200D93.4Very high94.8Very high5 Ų539.8 Ų39.83%0.02718%0.178CC..  trans-102.188.5175-173.1-2.7000110.6S163 R164 Q202 C203 E244S163-D200 WeakPolarHBondContact OG-CB 3.13Å; R164-D200 VanDerWaalsContact CB-OD2 3.27Å; R164-D200 WeakPolarHBondContact CB-OD2 3.19Å; R164-D200 WeakPolarHBondContact CG-OD2 3.34Å; R164-D200 IonicContact CZ-OD1 3.81Å; R164-D200 IonicContact CZ-OD2 3.87Å; R164-D200 PolarHBondContact N-OD2 3.41Å; R164-D200 IonicContact NE-OD1 2.77Å; R164-D200 IonicContact NE-OD2 3.85Å; R164-D200 PolarHBondContact NE-OD2 2.97Å; R164-D200 IonicContact NH2-OD1 3.77Å; R164-D200 PolarHBondContact NH2-OD1 2.74Å; R164-D200 IonicContact NH2-OD2 2.99Å; R164-D200 PolarHBondContact NH2-OD2 3.18Å; D200-Q202 PolarHBondContact O-N 3.5Å; D200-Q202 PolarHBondContact OD1-N 2.78Å; D200-Q202 VanDerWaalsContact OD1-N 3.16Å; D200-C203 PolarHBondContact OD1-N 3.02Å; D200-C203 VanDerWaalsContact OD1-N 3.1Å; D200-E244 PolarHBondContact N-OE1 2.87Å
201T94.1Very high94.9Very high3 Ų341.8 Ų41.82%0.01819%0.192CC..THydrogen-bonded Turntrans-69.7-22.1178.454.80000112.6V190 V195 V198 K206 D228 L232V190-T201 HydrophobicContact CG1-CG2 3.81Å; V195-T201 HydrophobicContact CB-CG2 4.04Å; V195-T201 HydrophobicContact CG1-CG2 4.03Å; V195-T201 HydrophobicContact CG2-CG2 4.28Å; V198-T201 HydrophobicContact CB-CG2 4.24Å; V198-T201 HydrophobicContact CG1-CG2 4.17Å; T201-K206 WeakPolarHBondContact O-CE 3.38Å; T201-K206 PolarHBondContact O-NZ 3.24Å; T201-D228 WeakPolarHBondContact O-CB 3.38Å; T201-L232 HydrophobicContact CG2-CD1 3.78Å
202Q91.8Very high95.1Very high46 Ų4635.1 Ų35.122%0.21517%0.167CC..THydrogen-bonded Turntrans-1089.2-165.3-57.4-168.1-69.200114.4F186 D200 G204 M266F186-Q202 HydrophobicContact CE1-CG 4.21Å; F186-Q202 HydrophobicContact CZ-CG 4.43Å; D200-Q202 PolarHBondContact O-N 3.5Å; D200-Q202 PolarHBondContact OD1-N 2.78Å; D200-Q202 VanDerWaalsContact OD1-N 3.16Å; Q202-G204 PolarHBondContact O-N 3.29Å; Q202-M266 PolarHBondContact NE2-SD 3.05Å
203C94.3Very high95.4Very high1 Ų131.4 Ų31.41%0.00715%0.147CC..  trans-61.4126.6172.9-174.20000110.6G162 D200 F205 K206G162-C203 VanDerWaalsContact C-SG 3.58Å; G162-C203 WeakPolarHBondContact O-CB 3.3Å; D200-C203 PolarHBondContact OD1-N 3.02Å; D200-C203 VanDerWaalsContact OD1-N 3.1Å; C203-F205 PolarHBondContact O-N 2.87Å; C203-K206 PolarHBondContact O-NZ 3.44Å
204G94.8Very high95.6Very high8 Ų830.9 Ų30.98%0.08215%0.153CC..SBendtrans-74.733.3-176.400000115.3A130 D131 Q202A130-G204 CarbonylContact C-O 3.48Å; A130-G204 VanDerWaalsContact CA-O 3.26Å; A130-G204 WeakPolarHBondContact CA-O 3.42Å; D131-G204 PolarHBondContact N-O 2.82Å; D131-G204 WeakPolarHBondContact OD2-CA 3.49Å; Q202-G204 PolarHBondContact O-N 3.29Å
205F98Very high95.6Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-147100.4-178.1-160.3-105000109L128 F129 A130 T136 F138 D140 L141 L144 G162 C203L128-F205 HydrophobicContact CD1-CD1 4.23Å; L128-F205 HydrophobicContact CD1-CD2 4.18Å; L128-F205 HydrophobicContact CD1-CE1 4.08Å; L128-F205 HydrophobicContact CD1-CE2 4.04Å; L128-F205 HydrophobicContact CD1-CG 4.28Å; L128-F205 HydrophobicContact CD1-CZ 3.99Å; L128-F205 HydrophobicContact CD2-CE2 3.74Å; L128-F205 HydrophobicContact CD2-CZ 3.84Å; L128-F205 HydrophobicContact CG-CE2 4.33Å; F129-F205 WeakPolarHBondContact O-CA 3.47Å; A130-F205 HydrophobicContact CB-CD2 3.8Å; A130-F205 HydrophobicContact CB-CE2 4.03Å; T136-F205 HydrophobicContact CG2-CB 3.83Å; T136-F205 HydrophobicContact CG2-CG 4.39Å; T136-F205 WeakPolarHBondContact OG1-CD2 3.47Å; F138-F205 HydrophobicContact CD1-CE2 4.43Å; F138-F205 HydrophobicContact CE1-CE2 4.43Å; D140-F205 HydrophobicContact CB-CE1 4.28Å; L141-F205 HydrophobicContact CB-CZ 4.22Å; L144-F205 HydrophobicContact CD1-CD1 3.93Å; L144-F205 HydrophobicContact CD1-CE1 4Å; L144-F205 HydrophobicContact CD2-CD1 3.68Å; L144-F205 HydrophobicContact CD2-CE1 3.97Å; L144-F205 HydrophobicContact CG-CD1 4.49Å; G162-F205 PolarHBondContact N-O 3.44Å; C203-F205 PolarHBondContact O-N 2.87Å
206K98.7Very high95.7Very high0 Ų031.3 Ų31.30%016%0.157CC..EExtended strand (participates in β ladder)trans-140.4132-175.6-58.4-171.4171.972.70111.9L128 F129 A160 V161 T201 C203 F208 D228L128-K206 WeakPolarHBondContact CA-O 3.44Å; L128-K206 WeakPolarHBondContact CD1-O 3.11Å; F129-K206 HydrophobicContact CD1-CB 4.16Å; F129-K206 HydrophobicContact CE1-CB 3.58Å; F129-K206 HydrophobicContact CE1-CD 3.84Å; F129-K206 HydrophobicContact CE1-CG 3.91Å; F129-K206 HydrophobicContact CZ-CB 3.86Å; F129-K206 HydrophobicContact CZ-CD 3.68Å; F129-K206 HydrophobicContact CZ-CG 3.7Å; F129-K206 PolarHBondContact N-O 3.31Å; F129-K206 PolarHBondContact O-N 2.89Å; F129-K206 VanDerWaalsContact O-N 3.16Å; A160-K206 CarbonylContact O-C 3.49Å; A160-K206 WeakPolarHBondContact O-CA 3.28Å; V161-K206 HydrophobicContact CB-CD 4.2Å; V161-K206 HydrophobicContact CB-CG 4Å; V161-K206 HydrophobicContact CG1-CB 4.35Å; V161-K206 HydrophobicContact CG1-CD 3.59Å; V161-K206 HydrophobicContact CG1-CG 3.81Å; T201-K206 WeakPolarHBondContact O-CE 3.38Å; T201-K206 PolarHBondContact O-NZ 3.24Å; C203-K206 PolarHBondContact O-NZ 3.44Å; K206-F208 HydrophobicContact CB-CE2 3.61Å; K206-F208 HydrophobicContact CB-CZ 3.69Å; K206-F208 HydrophobicContact CD-CZ 4.23Å; K206-F208 WeakPolarHBondContact O-CE2 3.15Å; K206-D228 WeakPolarHBondContact CE-OD1 3.41Å; K206-D228 IonicContact NZ-OD1 2.97Å; K206-D228 PolarHBondContact NZ-OD1 3.02Å
207L98.9Very high95.8Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-106.4135.4-178.8-174.568.5000110.2L35 Q126 L128 L141 L144 E145 I148 V159 A160L35-L207 HydrophobicContact CD1-CD1 4.13Å; Q126-L207 HydrophobicContact CB-CD1 4Å; L128-L207 HydrophobicContact CB-CD1 4.03Å; L128-L207 HydrophobicContact CD1-CB 4.37Å; L141-L207 HydrophobicContact CD1-CD1 3.96Å; L141-L207 HydrophobicContact CD1-CD2 4.16Å; L144-L207 HydrophobicContact CB-CB 4.03Å; L144-L207 HydrophobicContact CB-CD2 3.98Å; L144-L207 HydrophobicContact CD2-CB 3.76Å; L144-L207 HydrophobicContact CG-CB 4.47Å; E145-L207 HydrophobicContact CB-CD2 4.43Å; E145-L207 HydrophobicContact CG-CD2 3.68Å; I148-L207 HydrophobicContact CD1-CD2 3.79Å; I148-L207 HydrophobicContact CD1-CG 4.1Å; V159-L207 WeakPolarHBondContact CA-O 3.32Å; A160-L207 HydrophobicContact CB-CB 4.43Å; A160-L207 PolarHBondContact N-O 3.32Å; A160-L207 PolarHBondContact O-N 2.84Å
208F98.8Very high95.7Very high0 Ų020 Ų200%011%0.108CC..EExtended strand (participates in β ladder)trans-126138.9179.6-54.7-93000108.9Q126 I127 F129 V159 K206 A213 L216 F217 L231Q126-F208 WeakPolarHBondContact CA-O 3.35Å; I127-F208 PolarHBondContact N-O 3.16Å; I127-F208 WeakPolarHBondContact O-CD2 3.48Å; I127-F208 PolarHBondContact O-N 2.83Å; F129-F208 AromaticContact CD1-CE2 3.64Å; F129-F208 HydrophobicContact CD1-CE2 3.64Å; F129-F208 HydrophobicContact CD1-CZ 4.28Å; F129-F208 AromaticContact CE1-CE2 3.73Å; F129-F208 HydrophobicContact CE1-CE2 3.73Å; F129-F208 AromaticContact CE1-CZ 3.92Å; F129-F208 HydrophobicContact CE1-CZ 3.92Å; V159-F208 HydrophobicContact CB-CD1 4.35Å; V159-F208 HydrophobicContact CB-CE1 4.41Å; V159-F208 HydrophobicContact CG1-CD1 3.91Å; V159-F208 HydrophobicContact CG1-CE1 3.57Å; V159-F208 HydrophobicContact CG1-CZ 4.22Å; V159-F208 HydrophobicContact CG2-CD1 3.74Å; V159-F208 HydrophobicContact CG2-CE1 3.98Å; K206-F208 HydrophobicContact CB-CE2 3.61Å; K206-F208 HydrophobicContact CB-CZ 3.69Å; K206-F208 HydrophobicContact CD-CZ 4.23Å; K206-F208 WeakPolarHBondContact O-CE2 3.15Å; F208-A213 HydrophobicContact CB-CB 4.06Å; F208-L216 HydrophobicContact CD1-CD1 4.32Å; F208-L216 HydrophobicContact CE1-CD1 4.42Å; F208-F217 HydrophobicContact CD1-CE2 4.04Å; F208-F217 HydrophobicContact CD2-CE2 4.1Å; F208-F217 HydrophobicContact CD2-CZ 4.33Å; F208-F217 HydrophobicContact CE1-CE2 4.09Å; F208-F217 HydrophobicContact CE1-CZ 4.33Å; F208-F217 HydrophobicContact CE2-CE2 4.17Å; F208-F217 AromaticContact CE2-CZ 4Å; F208-F217 HydrophobicContact CE2-CZ 4Å; F208-F217 HydrophobicContact CG-CE2 4.08Å; F208-F217 HydrophobicContact CZ-CE2 4.19Å; F208-F217 HydrophobicContact CZ-CZ 4.01Å; F208-L231 HydrophobicContact CE1-CD1 4.3Å; F208-L231 HydrophobicContact CE1-CD2 3.73Å; F208-L231 HydrophobicContact CE1-CG 4.19Å; F208-L231 HydrophobicContact CZ-CD2 3.49Å; F208-L231 VanDerWaalsContact CZ-CD2 3.49Å; F208-L231 HydrophobicContact CZ-CG 4.43Å
209T98.7Very high95.4Very high13 Ų1319.8 Ų19.88%0.0811%0.107CC..EExtended strand (participates in β ladder)trans-65.4150.2157.4680000109I148 A156 T157 A158 S211 A212 A213I148-T209 HydrophobicContact CD1-CG2 4.49Å; A156-T209 PolarHBondContact O-OG1 2.91Å; T157-T209 WeakPolarHBondContact CA-OG1 3.49Å; A158-T209 HydrophobicContact CB-CG2 4.15Å; A158-T209 PolarHBondContact N-OG1 3.41Å; A158-T209 VanDerWaalsContact N-OG1 3.08Å; A158-T209 PolarHBondContact O-N 3.19Å; T209-S211 PolarHBondContact O-N 2.89Å; T209-S211 PolarHBondContact OG1-OG 2.88Å; T209-A212 PolarHBondContact O-N 3.42Å; T209-A212 WeakPolarHBondContact OG1-CB 3.49Å; T209-A212 PolarHBondContact OG1-N 3.29Å; T209-A213 PolarHBondContact O-N 2.9Å
210R98Very high95.4Very high25 Ų2512 Ų129%0.0948%0.078CC..Hα-helixtrans-54.8-38.5179.3-174.5171.7-165.173.7-0.7113S26 L27 D29 S122 G124 R125 I127 A213 A214S26-R210 PolarHBondContact O-NH2 2.88Å; L27-R210 HydrophobicContact CD1-CG 3.93Å; L27-R210 PolarHBondContact O-NH2 3.49Å; D29-R210 PolarHBondContact O-NE 3.19Å; D29-R210 PolarHBondContact O-NH2 3.05Å; S122-R210 PolarHBondContact O-NH1 2.82Å; S122-R210 PolarHBondContact O-NH2 2.91Å; G124-R210 PolarHBondContact O-NH1 2.95Å; R125-R210 VanDerWaalsContact O-CB 3.24Å; R125-R210 WeakPolarHBondContact O-CB 3.47Å; R125-R210 PolarHBondContact O-N 3.04Å; I127-R210 HydrophobicContact CD1-CG 4.46Å; R210-A213 PolarHBondContact O-N 3Å; R210-A214 VanDerWaalsContact O-CB 3.3Å; R210-A214 WeakPolarHBondContact O-CB 3.15Å; R210-A214 PolarHBondContact O-N 3.2Å
211S97.2Very high95.4Very high47 Ų4715 Ų1533%0.3299%0.091SC..Hα-helixtrans-64.1-42.9175.755.30000112.6A156 T157 T209 A214 A215A156-S211 PolarHBondContact O-OG 3.37Å; T157-S211 WeakPolarHBondContact CA-OG 3.5Å; T157-S211 PolarHBondContact OG1-OG 3.36Å; T157-S211 VanDerWaalsContact OG1-OG 3.12Å; T209-S211 PolarHBondContact O-N 2.89Å; T209-S211 PolarHBondContact OG1-OG 2.88Å; S211-A214 PolarHBondContact O-N 3.31Å; S211-A215 PolarHBondContact O-N 3Å
212A97.9Very high95.4Very high0 Ų015.9 Ų15.90%010%0.096CC..Hα-helixtrans-64.5-45.2175.600000110.1T157 A158 V159 T209 A214 A215 L216 I240T157-A212 HydrophobicContact CG2-CB 3.79Å; A158-A212 VanDerWaalsContact O-CB 3.3Å; A158-A212 WeakPolarHBondContact O-CB 3.5Å; V159-A212 HydrophobicContact CG2-CB 4.22Å; T209-A212 PolarHBondContact O-N 3.42Å; T209-A212 WeakPolarHBondContact OG1-CB 3.49Å; T209-A212 PolarHBondContact OG1-N 3.29Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 2.98Å; A212-A215 PolarHBondContact O-N 3.05Å; A212-L216 WeakPolarHBondContact O-CB 3.44Å; A212-L216 WeakPolarHBondContact O-CG 3.39Å; A212-L216 PolarHBondContact O-N 3.36Å; A212-I240 HydrophobicContact CB-CG2 4.29Å
213A97.8Very high95.5Very high0 Ų016.5 Ų16.50%010%0.099CC..Hα-helixtrans-59-43.4176.100000112.1L27 V119 I127 F208 T209 R210 A215 L216 F217L27-A213 HydrophobicContact CD1-CB 4.2Å; L27-A213 HydrophobicContact CD2-CB 4.34Å; V119-A213 HydrophobicContact CG1-CB 3.89Å; I127-A213 HydrophobicContact CD1-CB 3.55Å; F208-A213 HydrophobicContact CB-CB 4.06Å; T209-A213 PolarHBondContact O-N 2.9Å; R210-A213 PolarHBondContact O-N 3Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 2.9Å; A213-L216 PolarHBondContact O-N 3.26Å; A213-F217 HydrophobicContact CB-CD2 4Å; A213-F217 HydrophobicContact CB-CE2 4.28Å; A213-F217 WeakPolarHBondContact O-CD2 3.36Å; A213-F217 PolarHBondContact O-N 2.92Å
214A95.6Very high95.4Very high45 Ų4521.2 Ų21.237%0.37212%0.117SC..Hα-helixtrans-65-31.8178.600000113.2L27 R210 S211 A212 P218L27-A214 HydrophobicContact CD2-CB 4.25Å; L27-A214 HydrophobicContact CG-CB 4.13Å; R210-A214 VanDerWaalsContact O-CB 3.3Å; R210-A214 WeakPolarHBondContact O-CB 3.15Å; R210-A214 PolarHBondContact O-N 3.2Å; S211-A214 PolarHBondContact O-N 3.31Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 2.98Å; A214-P218 WeakPolarHBondContact O-CD 3.37Å; A214-P218 WeakPolarHBondContact O-CG 3.5Å
215A94.2Very high95.2Very high19 Ų1923.9 Ų23.916%0.15712%0.124CC..Hα-helixtrans-76.5-39.3175.800000112.3S211 A212 A213 S219 L238 I240 T287S211-A215 PolarHBondContact O-N 3Å; A212-A215 PolarHBondContact O-N 3.05Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 2.9Å; A215-S219 PolarHBondContact O-OG 3.12Å; A215-L238 HydrophobicContact CB-CD1 4.26Å; A215-I240 HydrophobicContact CB-CD1 4.3Å; A215-T287 HydrophobicContact CB-CG2 4.44Å
216L95.5Very high95.1Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-89.1-56.3-168-66.1172.2000113.4V159 F208 A212 A213 S219 L220 L231 L234 A235 L238 I240V159-L216 HydrophobicContact CG2-CD1 3.92Å; F208-L216 HydrophobicContact CD1-CD1 4.32Å; F208-L216 HydrophobicContact CE1-CD1 4.42Å; A212-L216 WeakPolarHBondContact O-CB 3.44Å; A212-L216 WeakPolarHBondContact O-CG 3.39Å; A212-L216 PolarHBondContact O-N 3.36Å; A213-L216 PolarHBondContact O-N 3.26Å; L216-S219 WeakPolarHBondContact O-CB 3.38Å; L216-S219 PolarHBondContact O-N 2.94Å; L216-L220 PolarHBondContact O-N 2.62Å; L216-L231 HydrophobicContact CB-CD1 3.63Å; L216-L231 HydrophobicContact CD1-CD1 3.98Å; L216-L231 HydrophobicContact CG-CD1 4.31Å; L216-L234 HydrophobicContact CD2-CB 3.6Å; L216-A235 HydrophobicContact CD1-CB 4.13Å; L216-A235 HydrophobicContact CD2-CB 4.09Å; L216-L238 HydrophobicContact CD2-CD1 4.17Å; L216-I240 HydrophobicContact CD1-CD1 4.2Å; L216-I240 HydrophobicContact CD2-CD1 4.03Å; L216-I240 HydrophobicContact CG-CD1 4Å
217F95.5Very high94.9Very high0 Ų023.9 Ų23.90%012%0.124CC..G310 helixtrans-64.9-38.9-167.5-77.3-84.7000114.8V115 R116 V119 F208 A213 S219 L220 L231V115-F217 HydrophobicContact CG1-CE1 3.61Å; V115-F217 HydrophobicContact CG1-CZ 4.1Å; R116-F217 HydrophobicContact CB-CD1 4.17Å; R116-F217 WeakPolarHBondContact CD-O 3.48Å; R116-F217 HydrophobicContact CG-CB 4.31Å; R116-F217 HydrophobicContact CG-CD1 4.39Å; R116-F217 WeakPolarHBondContact CG-O 3.08Å; V119-F217 HydrophobicContact CB-CD1 4.13Å; V119-F217 HydrophobicContact CB-CD2 4.18Å; V119-F217 HydrophobicContact CB-CE1 4.4Å; V119-F217 HydrophobicContact CB-CE2 4.43Å; V119-F217 HydrophobicContact CB-CG 4Å; V119-F217 HydrophobicContact CG1-CB 4.07Å; V119-F217 HydrophobicContact CG1-CD1 4.29Å; V119-F217 HydrophobicContact CG1-CD2 3.49Å; V119-F217 VanDerWaalsContact CG1-CD2 3.49Å; V119-F217 HydrophobicContact CG1-CE2 3.93Å; V119-F217 HydrophobicContact CG1-CG 3.67Å; V119-F217 HydrophobicContact CG2-CD1 4.1Å; V119-F217 HydrophobicContact CG2-CD2 4.24Å; V119-F217 HydrophobicContact CG2-CE1 3.86Å; V119-F217 HydrophobicContact CG2-CE2 3.98Å; V119-F217 HydrophobicContact CG2-CG 4.27Å; V119-F217 HydrophobicContact CG2-CZ 3.78Å; F208-F217 HydrophobicContact CD1-CE2 4.04Å; F208-F217 HydrophobicContact CD2-CE2 4.1Å; F208-F217 HydrophobicContact CD2-CZ 4.33Å; F208-F217 HydrophobicContact CE1-CE2 4.09Å; F208-F217 HydrophobicContact CE1-CZ 4.33Å; F208-F217 HydrophobicContact CE2-CE2 4.17Å; F208-F217 AromaticContact CE2-CZ 4Å; F208-F217 HydrophobicContact CE2-CZ 4Å; F208-F217 HydrophobicContact CG-CE2 4.08Å; F208-F217 HydrophobicContact CZ-CE2 4.19Å; F208-F217 HydrophobicContact CZ-CZ 4.01Å; A213-F217 HydrophobicContact CB-CD2 4Å; A213-F217 HydrophobicContact CB-CE2 4.28Å; A213-F217 WeakPolarHBondContact O-CD2 3.36Å; A213-F217 PolarHBondContact O-N 2.92Å; F217-S219 PolarHBondContact O-N 3.22Å; F217-S219 VanDerWaalsContact O-N 3.13Å; F217-L220 HydrophobicContact CD1-CD1 3.57Å; F217-L220 HydrophobicContact CE1-CD1 4.01Å; F217-L220 HydrophobicContact CG-CD1 4.31Å; F217-L220 PolarHBondContact O-N 3.15Å; F217-L231 HydrophobicContact CD2-CD1 4.47Å; F217-L231 HydrophobicContact CE1-CD1 4.34Å; F217-L231 HydrophobicContact CE1-CD2 4.38Å; F217-L231 HydrophobicContact CE2-CD1 4.15Å; F217-L231 HydrophobicContact CZ-CD1 4.08Å; F217-L231 HydrophobicContact CZ-CD2 3.96Å
218P90.3Very high94.8Very high27 Ų2724.1 Ų24.118%0.17513%0.125CC..G310 helixtrans-63.3-17.5175.9-24.836.4000114.5A214A214-P218 WeakPolarHBondContact O-CD 3.37Å; A214-P218 WeakPolarHBondContact O-CG 3.5Å
219S87.2Confident94.7Very high8 Ų824.1 Ų24.16%0.05613%0.125CC..G310 helixtrans-100.3-5.3-175.3-52.80000113.7A215 L216 F217 H221 Y277 A285A215-S219 PolarHBondContact O-OG 3.12Å; L216-S219 WeakPolarHBondContact O-CB 3.38Å; L216-S219 PolarHBondContact O-N 2.94Å; F217-S219 PolarHBondContact O-N 3.22Å; F217-S219 VanDerWaalsContact O-N 3.13Å; S219-H221 PolarHBondContact O-CE1 2.72Å; S219-H221 PolarHBondContact O-ND1 2.92Å; S219-H221 VanDerWaalsContact O-ND1 3.1Å; S219-Y277 PolarHBondContact O-OH 3.05Å; S219-Y277 VanDerWaalsContact O-OH 3.12Å; S219-A285 WeakPolarHBondContact OG-CB 3.31Å
220L93.3Very high94.6Very high4 Ų423.5 Ų23.52%0.02112%0.122CC..  trans-69.8138.4177.4-68.8175.6000111.1R116 L216 F217 F227 E230 L231 L234R116-L220 PolarHBondContact NH1-O 3.16Å; L216-L220 PolarHBondContact O-N 2.62Å; F217-L220 HydrophobicContact CD1-CD1 3.57Å; F217-L220 HydrophobicContact CE1-CD1 4.01Å; F217-L220 HydrophobicContact CG-CD1 4.31Å; F217-L220 PolarHBondContact O-N 3.15Å; L220-F227 HydrophobicContact CD1-CD2 4.43Å; L220-E230 HydrophobicContact CD2-CB 4.15Å; L220-E230 HydrophobicContact CD2-CG 3.96Å; L220-L231 HydrophobicContact CD1-CD1 4.24Å; L220-L231 HydrophobicContact CD2-CB 3.96Å; L220-L231 HydrophobicContact CD2-CD1 4.18Å; L220-L234 HydrophobicContact CD2-CD1 3.94Å
221H92.9Very high94.6Very high68 Ų6822.3 Ų22.332%0.31512%0.117SC..  trans-108.8-29.2174.1-60.181.2000112.4S219 E230 Y277 W282S219-H221 PolarHBondContact O-CE1 2.72Å; S219-H221 PolarHBondContact O-ND1 2.92Å; S219-H221 VanDerWaalsContact O-ND1 3.1Å; H221-E230 WeakPolarHBondContact CB-OE1 3.44Å; H221-E230 IonicContact CG-OE1 2.82Å; H221-E230 VanDerWaalsContact N-CD 3.29Å; H221-E230 PolarHBondContact N-OE1 2.87Å; H221-E230 PolarHBondContact N-OE2 3.38Å; H221-E230 IonicContact ND1-OE1 3.43Å; H221-E230 PolarHBondContact ND1-OE1 3.23Å; H221-Y277 AromaticContact ND1-CZ 3.99Å; H221-Y277 PolarHBondContact ND1-OH 3.41Å; H221-W282 HydrophobicContact CB-CD2 3.86Å; H221-W282 HydrophobicContact CB-CE3 3.96Å; H221-W282 HydrophobicContact CB-CH2 3.58Å; H221-W282 HydrophobicContact CB-CZ2 3.4Å; H221-W282 HydrophobicContact CB-CZ3 3.83Å; H221-W282 AromaticContact CD2-CD1 3.5Å; H221-W282 AromaticContact CD2-CD2 3.82Å; H221-W282 AromaticContact CD2-CE2 3.55Å; H221-W282 AromaticContact CD2-CG 3.79Å; H221-W282 AromaticContact CD2-NE1 3.33Å; H221-W282 PolarHBondContact CD2-NE1 2.97Å; H221-W282 VanDerWaalsContact CD2-NE1 3.33Å; H221-W282 AromaticContact CE1-CD1 3.85Å; H221-W282 AromaticContact CE1-CD2 3.94Å; H221-W282 AromaticContact CE1-CG 3.54Å; H221-W282 AromaticContact CG-CD1 3.94Å; H221-W282 AromaticContact CG-CD2 3.45Å; H221-W282 VanDerWaalsContact CG-CD2 3.45Å; H221-W282 AromaticContact CG-CE2 3.39Å; H221-W282 AromaticContact CG-CE3 3.89Å; H221-W282 AromaticContact CG-CG 3.81Å; H221-W282 AromaticContact CG-CZ2 3.83Å; H221-W282 AromaticContact CG-NE1 3.71Å; H221-W282 AromaticContact ND1-CD2 3.52Å; H221-W282 AromaticContact ND1-CE2 3.98Å; H221-W282 AromaticContact ND1-CE3 3.79Å; H221-W282 AromaticContact ND1-CG 3.64Å; H221-W282 AromaticContact NE2-CD1 3.44Å; H221-W282 AromaticContact NE2-CG 3.63Å; H221-W282 AromaticContact NE2-NE1 3.81Å
222M94.5Very high94.6Very high22 Ų2220 Ų2011%0.10810%0.101CC..  trans-77.5123179.9-60.4-71.675.800110.8F227 E230 D269 I273 W282M222-F227 HydrophobicContact CB-CB 4.12Å; M222-F227 WeakPolarHBondContact O-CB 3.21Å; M222-E230 VanDerWaalsContact CB-OE2 3.25Å; M222-E230 WeakPolarHBondContact CB-OE2 3.37Å; M222-E230 HydrophobicContact CG-CB 4.18Å; M222-E230 WeakPolarHBondContact CG-OE2 3.28Å; M222-E230 PolarHBondContact N-OE2 2.74Å; M222-D269 HydrophobicContact SD-CB 4.04Å; M222-I273 HydrophobicContact CG-CD1 3.93Å; M222-I273 HydrophobicContact CG-CG1 3.82Å; M222-I273 HydrophobicContact SD-CD1 4.41Å; M222-I273 HydrophobicContact SD-CG1 4.11Å; M222-W282 HydrophobicContact CE-CH2 3.43Å; M222-W282 VanDerWaalsContact CE-CH2 3.43Å; M222-W282 HydrophobicContact CE-CZ2 4.18Å; M222-W282 HydrophobicContact CE-CZ3 4.31Å; M222-W282 HydrophobicContact SD-CH2 4.26Å
223E93Very high94.5Very high60 Ų6021.6 Ų21.628%0.2811%0.108SC..  trans-99.6-13.5-179.6-57.8-167.7135.300112.8R109 G110 K111 G112 G113 R116R109-E223 HydrophobicContact CB-CB 4.41Å; R109-E223 IonicContact NH1-OE1 3.12Å; R109-E223 CarbonylContact O-C 3.35Å; R109-E223 WeakPolarHBondContact O-CB 3.15Å; G110-E223 CarbonylContact C-O 3.52Å; G110-E223 WeakPolarHBondContact CA-O 3.48Å; G110-E223 VanDerWaalsContact O-O 3.09Å; K111-E223 PolarHBondContact N-O 2.76Å; G112-E223 CarbonylContact C-O 3.58Å; G112-E223 VanDerWaalsContact CA-O 3.24Å; G112-E223 WeakPolarHBondContact CA-O 3.36Å; G112-E223 PolarHBondContact N-O 2.97Å; G113-E223 PolarHBondContact N-O 3.23Å; R116-E223 IonicContact CZ-OE1 2.69Å; R116-E223 IonicContact NH2-OE1 2.7Å; R116-E223 PolarHBondContact NH2-OE1 2.86Å
224R92.9Very high94.4Very high100 Ų10021.6 Ų21.638%0.37711%0.108SC..SBendtrans-108.9-131.4-173.2-51.1-164.582.2-1699.5112.2G112 F227 E265G112-R224 PolarHBondContact N-O 3.4Å; R224-F227 WeakPolarHBondContact O-CD1 3.34Å; R224-E265 WeakPolarHBondContact CD-OE1 3.44Å; R224-E265 IonicContact CZ-OE1 2.72Å; R224-E265 IonicContact NE-OE1 2.74Å; R224-E265 IonicContact NH1-OE1 3.31Å; R224-E265 PolarHBondContact NH1-OE1 3.12Å; R224-E265 IonicContact NH1-OE2 3.41Å
225W90.9Very high94.4Very high63 Ų6319.5 Ų19.524%0.2399%0.091CC..THydrogen-bonded Turntrans-77.3-30.6-166.7-52.7115.1000114.1K111 F227 L257 M266K111-W225 HydrophobicContact CB-CZ3 4.32Å; W225-F227 VanDerWaalsContact C-N 3.26Å; W225-F227 PolarHBondContact O-N 2.93Å; W225-L257 HydrophobicContact CD2-CD1 4.35Å; W225-L257 HydrophobicContact CE3-CD1 4.17Å; W225-L257 HydrophobicContact CH2-CD1 3.62Å; W225-L257 HydrophobicContact CH2-CD2 3.53Å; W225-L257 HydrophobicContact CH2-CG 4.12Å; W225-L257 HydrophobicContact CZ2-CD1 3.81Å; W225-L257 HydrophobicContact CZ2-CD2 3.14Å; W225-L257 HydrophobicContact CZ2-CG 4.1Å; W225-L257 HydrophobicContact CZ3-CD1 3.79Å; W225-M266 HydrophobicContact CB-CG 3.5Å; W225-M266 HydrophobicContact CB-SD 3.63Å; W225-M266 HydrophobicContact CG-CG 4.41Å
226A94.4Very high94.5Very high1 Ų120.5 Ų20.51%0.0089%0.092CC..THydrogen-bonded Turntrans-82.21-178.300000114.1D228 V229 E230 D269 I273A226-D228 VanDerWaalsContact C-N 3.26Å; A226-D228 PolarHBondContact O-N 3.15Å; A226-V229 WeakPolarHBondContact O-CB 3.39Å; A226-V229 PolarHBondContact O-N 3.38Å; A226-E230 PolarHBondContact O-N 3.38Å; A226-E230 VanDerWaalsContact O-N 3.1Å; A226-D269 HydrophobicContact CB-CB 3.4Å; A226-I273 HydrophobicContact CB-CD1 4.1Å
227F95.9Very high94.3Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-61.2-34.3-17790.8-75.9000112.9K111 V115 F129 L220 M222 R224 W225 V229 E230 L231K111-F227 HydrophobicContact CB-CE1 4.29Å; K111-F227 HydrophobicContact CD-CE1 3.7Å; K111-F227 HydrophobicContact CD-CZ 4.34Å; K111-F227 HydrophobicContact CG-CD1 4.46Å; K111-F227 HydrophobicContact CG-CE1 3.66Å; K111-F227 HydrophobicContact CG-CZ 4.15Å; V115-F227 HydrophobicContact CB-CE2 4.09Å; V115-F227 HydrophobicContact CB-CZ 4.36Å; V115-F227 HydrophobicContact CG1-CE2 4.16Å; V115-F227 HydrophobicContact CG2-CE2 4.27Å; V115-F227 HydrophobicContact CG2-CZ 4.03Å; F129-F227 HydrophobicContact CE1-CE2 4.41Å; F129-F227 HydrophobicContact CE1-CZ 4.43Å; F129-F227 HydrophobicContact CE2-CZ 4.31Å; F129-F227 HydrophobicContact CZ-CE2 4.39Å; F129-F227 AromaticContact CZ-CZ 3.99Å; F129-F227 HydrophobicContact CZ-CZ 3.99Å; L220-F227 HydrophobicContact CD1-CD2 4.43Å; M222-F227 HydrophobicContact CB-CB 4.12Å; M222-F227 WeakPolarHBondContact O-CB 3.21Å; R224-F227 WeakPolarHBondContact O-CD1 3.34Å; W225-F227 VanDerWaalsContact C-N 3.26Å; W225-F227 PolarHBondContact O-N 2.93Å; F227-V229 VanDerWaalsContact C-N 3.27Å; F227-V229 PolarHBondContact O-N 3.11Å; F227-E230 PolarHBondContact O-N 3.48Å; F227-L231 WeakPolarHBondContact O-CB 3.49Å; F227-L231 PolarHBondContact O-N 3.41Å
228D96.9Very high94.3Very high4 Ų424.6 Ų24.62%0.02112%0.121CC..Hα-helixtrans-61.4-38.2176.3-81.7-63.2000111.6F129 T201 K206 A226 L232F129-D228 WeakPolarHBondContact CZ-OD1 3.18Å; T201-D228 WeakPolarHBondContact O-CB 3.38Å; K206-D228 WeakPolarHBondContact CE-OD1 3.41Å; K206-D228 IonicContact NZ-OD1 2.97Å; K206-D228 PolarHBondContact NZ-OD1 3.02Å; A226-D228 VanDerWaalsContact C-N 3.26Å; A226-D228 PolarHBondContact O-N 3.15Å; D228-L232 WeakPolarHBondContact O-CG 3.26Å; D228-L232 PolarHBondContact O-N 3.12Å; D228-L232 VanDerWaalsContact O-N 3.1Å
229V96.8Very high94.5Very high0 Ų031.4 Ų31.40%015%0.15CC..Hα-helixtrans-70.8-45.1177.9-179.30000110.4F186 V190 C194 V195 A226 F227 L231 L232 F233 I270F186-V229 HydrophobicContact CZ-CG2 4.37Å; V190-V229 HydrophobicContact CG1-CG1 4.25Å; V190-V229 HydrophobicContact CG2-CG1 4.35Å; V190-V229 HydrophobicContact CG2-CG2 4.06Å; C194-V229 HydrophobicContact CB-CG1 3.45Å; C194-V229 VanDerWaalsContact CB-CG1 3.45Å; V195-V229 HydrophobicContact CG2-CG1 4.26Å; A226-V229 WeakPolarHBondContact O-CB 3.39Å; A226-V229 PolarHBondContact O-N 3.38Å; F227-V229 VanDerWaalsContact C-N 3.27Å; F227-V229 PolarHBondContact O-N 3.11Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 3.49Å; V229-L232 PolarHBondContact O-N 3.33Å; V229-F233 VanDerWaalsContact O-CB 3.25Å; V229-F233 WeakPolarHBondContact O-CB 3.37Å; V229-F233 PolarHBondContact O-N 3.21Å; V229-I270 HydrophobicContact CG1-CG1 4.31Å
230E96.3Very high95Very high0 Ų031.6 Ų31.60%015%0.15CC..Hα-helixtrans-59.6-43.8174.5-171.5-174.2-160.600111.3L220 H221 M222 A226 F227 L232 F233 L234 I273 Y277L220-E230 HydrophobicContact CD2-CB 4.15Å; L220-E230 HydrophobicContact CD2-CG 3.96Å; H221-E230 WeakPolarHBondContact CB-OE1 3.44Å; H221-E230 IonicContact CG-OE1 2.82Å; H221-E230 VanDerWaalsContact N-CD 3.29Å; H221-E230 PolarHBondContact N-OE1 2.87Å; H221-E230 PolarHBondContact N-OE2 3.38Å; H221-E230 IonicContact ND1-OE1 3.43Å; H221-E230 PolarHBondContact ND1-OE1 3.23Å; M222-E230 VanDerWaalsContact CB-OE2 3.25Å; M222-E230 WeakPolarHBondContact CB-OE2 3.37Å; M222-E230 HydrophobicContact CG-CB 4.18Å; M222-E230 WeakPolarHBondContact CG-OE2 3.28Å; M222-E230 PolarHBondContact N-OE2 2.74Å; A226-E230 PolarHBondContact O-N 3.38Å; A226-E230 VanDerWaalsContact O-N 3.1Å; F227-E230 PolarHBondContact O-N 3.48Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-F233 WeakPolarHBondContact O-CB 3.24Å; E230-F233 PolarHBondContact O-N 3.02Å; E230-L234 HydrophobicContact CG-CD1 4.41Å; E230-L234 WeakPolarHBondContact O-CB 3.44Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.33Å; E230-L234 PolarHBondContact O-N 2.93Å; E230-I273 HydrophobicContact CB-CD1 3.86Å; E230-I273 HydrophobicContact CB-CG1 4.17Å; E230-I273 HydrophobicContact CB-CG2 4.42Å; E230-I273 HydrophobicContact CG-CG1 4.41Å; E230-I273 HydrophobicContact CG-CG2 4.33Å; E230-Y277 HydrophobicContact CG-CE2 3.88Å; E230-Y277 PolarHBondContact OE1-OH 2.93Å
231L97.1Very high95.2Very high0 Ų033.9 Ų33.90%017%0.165CC..Hα-helixtrans-59.1-47.2-179.8179.966.4000112F129 F208 L216 F217 L220 F227 V229 L234 A235F129-L231 HydrophobicContact CE1-CD2 4.46Å; F208-L231 HydrophobicContact CE1-CD1 4.3Å; F208-L231 HydrophobicContact CE1-CD2 3.73Å; F208-L231 HydrophobicContact CE1-CG 4.19Å; F208-L231 HydrophobicContact CZ-CD2 3.49Å; F208-L231 VanDerWaalsContact CZ-CD2 3.49Å; F208-L231 HydrophobicContact CZ-CG 4.43Å; L216-L231 HydrophobicContact CB-CD1 3.63Å; L216-L231 HydrophobicContact CD1-CD1 3.98Å; L216-L231 HydrophobicContact CG-CD1 4.31Å; F217-L231 HydrophobicContact CD2-CD1 4.47Å; F217-L231 HydrophobicContact CE1-CD1 4.34Å; F217-L231 HydrophobicContact CE1-CD2 4.38Å; F217-L231 HydrophobicContact CE2-CD1 4.15Å; F217-L231 HydrophobicContact CZ-CD1 4.08Å; F217-L231 HydrophobicContact CZ-CD2 3.96Å; L220-L231 HydrophobicContact CD1-CD1 4.24Å; L220-L231 HydrophobicContact CD2-CB 3.96Å; L220-L231 HydrophobicContact CD2-CD1 4.18Å; F227-L231 WeakPolarHBondContact O-CB 3.49Å; F227-L231 PolarHBondContact O-N 3.41Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 2.64Å; L231-A235 PolarHBondContact O-N 3.04Å
232L97.5Very high95.5Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-74.5-33.3179-66.3174.6000112.2V159 V161 V195 V198 T201 D228 V229 E230 L234 A235 E236 I242V159-L232 HydrophobicContact CG1-CD2 4.44Å; V161-L232 HydrophobicContact CG1-CD2 3.82Å; V195-L232 HydrophobicContact CB-CB 4.5Å; V195-L232 HydrophobicContact CG1-CB 3.99Å; V195-L232 HydrophobicContact CG2-CB 3.63Å; V198-L232 HydrophobicContact CB-CD1 4.31Å; V198-L232 HydrophobicContact CG1-CD1 4.11Å; V198-L232 HydrophobicContact CG2-CD1 4.29Å; T201-L232 HydrophobicContact CG2-CD1 3.78Å; D228-L232 WeakPolarHBondContact O-CG 3.26Å; D228-L232 PolarHBondContact O-N 3.12Å; D228-L232 VanDerWaalsContact O-N 3.1Å; V229-L232 PolarHBondContact O-N 3.33Å; E230-L232 PolarHBondContact O-N 2.93Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.17Å; L232-A235 PolarHBondContact O-N 2.85Å; L232-E236 PolarHBondContact O-N 3.11Å; L232-I242 HydrophobicContact CD2-CD1 4.11Å; L232-I242 HydrophobicContact CD2-CG2 4.24Å
233F95.9Very high95.7Very high32 Ų3231.4 Ų31.414%0.1416%0.155CC..Hα-helixtrans-58.7-45.7170.7171.1-95.9000111C194 V195 V229 E230 E236 A237 I273 Y277C194-F233 HydrophobicContact CB-CB 4.26Å; C194-F233 HydrophobicContact CB-CD2 4.22Å; C194-F233 WeakPolarHBondContact O-CD2 3.17Å; V195-F233 HydrophobicContact CG2-CB 4.36Å; V229-F233 VanDerWaalsContact O-CB 3.25Å; V229-F233 WeakPolarHBondContact O-CB 3.37Å; V229-F233 PolarHBondContact O-N 3.21Å; E230-F233 WeakPolarHBondContact O-CB 3.24Å; E230-F233 PolarHBondContact O-N 3.02Å; F233-E236 PolarHBondContact O-N 3.32Å; F233-A237 VanDerWaalsContact O-CB 3.29Å; F233-A237 WeakPolarHBondContact O-CB 3.16Å; F233-A237 PolarHBondContact O-N 3.4Å; F233-I273 HydrophobicContact CD1-CG2 4.25Å; F233-I273 HydrophobicContact CG-CG2 4.38Å; F233-Y277 AromaticContact CD1-CD2 3.86Å; F233-Y277 HydrophobicContact CD1-CD2 3.86Å; F233-Y277 HydrophobicContact CD1-CE2 4.26Å; F233-Y277 HydrophobicContact CD1-CG 4.27Å; F233-Y277 HydrophobicContact CE1-CD1 4.22Å; F233-Y277 AromaticContact CE1-CD2 3.5Å; F233-Y277 HydrophobicContact CE1-CD2 3.5Å; F233-Y277 VanDerWaalsContact CE1-CD2 3.5Å; F233-Y277 HydrophobicContact CE1-CE2 4.27Å; F233-Y277 AromaticContact CE1-CG 3.48Å; F233-Y277 HydrophobicContact CE1-CG 3.48Å; F233-Y277 VanDerWaalsContact CE1-CG 3.48Å; F233-Y277 HydrophobicContact CZ-CD2 4.46Å; F233-Y277 HydrophobicContact CZ-CG 4.28Å
234L95.2Very high95.9Very high1 Ų130.7 Ų30.71%0.00515%0.152CC..Hα-helixtrans-64-39.4175.9-73179.1000112.2L216 L220 E230 L231 L232 A237 L238 Y277 V284L216-L234 HydrophobicContact CD2-CB 3.6Å; L220-L234 HydrophobicContact CD2-CD1 3.94Å; E230-L234 HydrophobicContact CG-CD1 4.41Å; E230-L234 WeakPolarHBondContact O-CB 3.44Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.33Å; E230-L234 PolarHBondContact O-N 2.93Å; L231-L234 PolarHBondContact O-N 2.64Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.17Å; L234-A237 PolarHBondContact O-N 3.39Å; L234-L238 VanDerWaalsContact O-CB 3.3Å; L234-L238 WeakPolarHBondContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.2Å; L234-Y277 HydrophobicContact CD2-CD1 4.41Å; L234-Y277 HydrophobicContact CD2-CE1 3.65Å; L234-Y277 HydrophobicContact CD2-CE2 4.27Å; L234-V284 HydrophobicContact CD2-CB 4.32Å; L234-V284 HydrophobicContact CD2-CG1 4.11Å; L234-V284 HydrophobicContact CD2-CG2 3.68Å
235A96.5Very high96.2Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-63-45.4176.600000111.8V159 L216 L231 L232 L238 H239 I240 I242V159-A235 HydrophobicContact CG2-CB 4.48Å; L216-A235 HydrophobicContact CD1-CB 4.13Å; L216-A235 HydrophobicContact CD2-CB 4.09Å; L231-A235 PolarHBondContact O-N 3.04Å; L232-A235 PolarHBondContact O-N 2.85Å; A235-L238 PolarHBondContact O-N 3Å; A235-H239 PolarHBondContact O-N 3.37Å; A235-H239 VanDerWaalsContact O-N 3.15Å; A235-I240 HydrophobicContact CB-CB 4.3Å; A235-I240 PolarHBondContact O-N 2.9Å; A235-I242 HydrophobicContact CB-CD1 3.63Å; A235-I242 HydrophobicContact CB-CG1 4.11Å
236E95.1Very high96.4Very high41 Ų4126.6 Ų26.619%0.19215%0.151CC..Hα-helixtrans-63.3-44.3174.1-72.6-169.1-176.900112.1V195 R196 T197 L232 F233 L238 H239 I242V195-E236 VanDerWaalsContact CG1-OE1 3.26Å; V195-E236 WeakPolarHBondContact CG1-OE1 3.26Å; R196-E236 PolarHBondContact N-OE1 2.62Å; R196-E236 PolarHBondContact N-OE2 3.1Å; R196-E236 VanDerWaalsContact N-OE2 3.16Å; T197-E236 VanDerWaalsContact CB-OE1 3.29Å; T197-E236 WeakPolarHBondContact CB-OE1 3.28Å; T197-E236 WeakPolarHBondContact CG2-OE1 3.4Å; T197-E236 PolarHBondContact N-OE1 2.84Å; T197-E236 PolarHBondContact OG1-OE1 2.79Å; L232-E236 PolarHBondContact O-N 3.11Å; F233-E236 PolarHBondContact O-N 3.32Å; E236-L238 VanDerWaalsContact C-N 3.26Å; E236-L238 PolarHBondContact O-N 2.91Å; E236-H239 PolarHBondContact O-N 2.87Å; E236-I242 HydrophobicContact CG-CD1 3.99Å
237A93Very high96.5Very high48 Ų4826.7 Ų26.740%0.39715%0.151SC..Hα-helixtrans-64.1-29.9179.200000113.1F233 L234 H239F233-A237 VanDerWaalsContact O-CB 3.29Å; F233-A237 WeakPolarHBondContact O-CB 3.16Å; F233-A237 PolarHBondContact O-N 3.4Å; L234-A237 PolarHBondContact O-N 3.39Å; A237-H239 VanDerWaalsContact C-N 3.35Å
238L94.1Very high96.4Very high38 Ų3830.5 Ų30.520%0.19917%0.172CC..THydrogen-bonded Turntrans-89.72.6174.6-72.6176.9000113.6A215 L216 L234 A235 E236 I240 V284 T287A215-L238 HydrophobicContact CB-CD1 4.26Å; L216-L238 HydrophobicContact CD2-CD1 4.17Å; L234-L238 VanDerWaalsContact O-CB 3.3Å; L234-L238 WeakPolarHBondContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.2Å; A235-L238 PolarHBondContact O-N 3Å; E236-L238 VanDerWaalsContact C-N 3.26Å; E236-L238 PolarHBondContact O-N 2.91Å; L238-I240 HydrophobicContact CB-CD1 4.05Å; L238-I240 HydrophobicContact CB-CG1 3.92Å; L238-I240 HydrophobicContact CD1-CD1 4.19Å; L238-I240 PolarHBondContact O-N 2.91Å; L238-V284 HydrophobicContact CD1-CG1 3.81Å; L238-V284 HydrophobicContact CD2-CG1 3.35Å; L238-V284 HydrophobicContact CG-CG1 3.48Å; L238-V284 VanDerWaalsContact CG-CG1 3.48Å; L238-T287 HydrophobicContact CD1-CG2 4.31Å; L238-T287 HydrophobicContact CD2-CG2 3.91Å
239H95.7Very high96.1Very high170 Ų17033.3 Ų33.379%0.78718%0.182SC*.THydrogen-bonded Turntrans53.933.3-174.8-52.9-57000113.4A235 E236 A237 P241A235-H239 PolarHBondContact O-N 3.37Å; A235-H239 VanDerWaalsContact O-N 3.15Å; E236-H239 PolarHBondContact O-N 2.87Å; A237-H239 VanDerWaalsContact C-N 3.35Å; H239-P241 WeakPolarHBondContact O-CD 3.13Å
240I97.4Very high95.7Very high12 Ų1236.8 Ų36.86%0.06220%0.198CC..  trans-75.3124.9172.5-63.6175.2000107.5T157 V159 A212 A215 L216 A235 L238 I242T157-I240 HydrophobicContact CG2-CD1 3.99Å; T157-I240 HydrophobicContact CG2-CG1 3.91Å; T157-I240 HydrophobicContact CG2-CG2 3.97Å; V159-I240 HydrophobicContact CG2-CG2 3.98Å; A212-I240 HydrophobicContact CB-CG2 4.29Å; A215-I240 HydrophobicContact CB-CD1 4.3Å; L216-I240 HydrophobicContact CD1-CD1 4.2Å; L216-I240 HydrophobicContact CD2-CD1 4.03Å; L216-I240 HydrophobicContact CG-CD1 4Å; A235-I240 HydrophobicContact CB-CB 4.3Å; A235-I240 PolarHBondContact O-N 2.9Å; L238-I240 HydrophobicContact CB-CD1 4.05Å; L238-I240 HydrophobicContact CB-CG1 3.92Å; L238-I240 HydrophobicContact CD1-CD1 4.19Å; L238-I240 PolarHBondContact O-N 2.91Å; I240-I242 WeakPolarHBondContact O-CG1 3.47Å; I240-I242 PolarHBondContact O-N 3.25Å
241P98.3Very high95.1Very high51 Ų5142.5 Ų42.533%0.33123%0.225SC..  trans-57.3132.1175.7-26.435.7000112.2L152 P155 T157 V159 H239L152-P241 HydrophobicContact CB-CB 4.47Å; L152-P241 HydrophobicContact CD1-CB 3.98Å; L152-P241 HydrophobicContact CD2-CB 4.09Å; L152-P241 HydrophobicContact CG-CB 4.41Å; P155-P241 HydrophobicContact CG-CB 4.49Å; P155-P241 HydrophobicContact CG-CG 4.32Å; T157-P241 WeakPolarHBondContact O-CD 3.23Å; V159-P241 PolarHBondContact N-O 2.81Å; H239-P241 WeakPolarHBondContact O-CD 3.13Å
242I98.7Very high94.6Very high31 Ų3144 Ų4416%0.15923%0.234CC..EExtended strand (participates in β ladder)trans-122.2125.2179.5-47.2176.5000108.9V159 V161 V198 L232 A235 E236 I240V159-I242 HydrophobicContact CB-CG1 4.44Å; V159-I242 HydrophobicContact CB-CG2 4.37Å; V159-I242 HydrophobicContact CG1-CG2 4.44Å; V159-I242 CarbonylContact O-C 3.52Å; V159-I242 VanDerWaalsContact O-CA 3.28Å; V159-I242 WeakPolarHBondContact O-CA 3.39Å; V161-I242 HydrophobicContact CG1-CG2 4.32Å; V198-I242 HydrophobicContact CG2-CG2 3.75Å; L232-I242 HydrophobicContact CD2-CD1 4.11Å; L232-I242 HydrophobicContact CD2-CG2 4.24Å; A235-I242 HydrophobicContact CB-CD1 3.63Å; A235-I242 HydrophobicContact CB-CG1 4.11Å; E236-I242 HydrophobicContact CG-CD1 3.99Å; I240-I242 WeakPolarHBondContact O-CG1 3.47Å; I240-I242 PolarHBondContact O-N 3.25Å
243A98.3Very high93.7Very high8 Ų850.9 Ų50.97%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-102.9138.2168.400000110.6A147 L152 V159 A160 V161A147-A243 HydrophobicContact CB-CB 3.73Å; L152-A243 HydrophobicContact CD1-CB 3.85Å; L152-A243 HydrophobicContact CD2-CB 4.1Å; L152-A243 HydrophobicContact CG-CB 3.93Å; V159-A243 PolarHBondContact O-N 2.71Å; A160-A243 CarbonylContact C-O 3.59Å; A160-A243 WeakPolarHBondContact CA-O 3.49Å; A160-A243 HydrophobicContact CB-CB 4.38Å; V161-A243 PolarHBondContact N-O 3.01Å
244E97.9Very high92.6Very high45 Ų4551.8 Ų51.821%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-108.2120.3172.6-175.3-175.6-150.100109.7V161 S163 R199 D200V161-E244 HydrophobicContact CG2-CB 4.13Å; V161-E244 HydrophobicContact CG2-CG 4.14Å; S163-E244 VanDerWaalsContact CB-OE1 3.23Å; S163-E244 WeakPolarHBondContact CB-OE1 3.17Å; S163-E244 PolarHBondContact OG-OE1 3.42Å; R199-E244 WeakPolarHBondContact CB-OE1 3.42Å; R199-E244 IonicContact CZ-OE2 3.11Å; R199-E244 PolarHBondContact N-OE1 3.27Å; R199-E244 PolarHBondContact N-OE2 2.86Å; R199-E244 IonicContact NE-OE2 3.46Å; R199-E244 PolarHBondContact NE-OE2 3.44Å; R199-E244 IonicContact NH2-OE2 3.6Å; R199-E244 PolarHBondContact NH2-OE2 2.67Å; D200-E244 PolarHBondContact N-OE1 2.87Å
245V97.5Very high91.7Very high18 Ų1855.7 Ų55.711%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-118.5129.1-171.7-177.10000110.3L143 L144 A147 V161 G162 S163 V247L143-V245 HydrophobicContact CB-CG1 3.53Å; L143-V245 HydrophobicContact CD1-CG1 4.43Å; L144-V245 HydrophobicContact CD1-CB 4.15Å; L144-V245 HydrophobicContact CD1-CG1 4.22Å; A147-V245 HydrophobicContact CB-CG2 3.35Å; V161-V245 PolarHBondContact O-N 2.92Å; G162-V245 CarbonylContact C-O 3.59Å; G162-V245 WeakPolarHBondContact CA-O 3.4Å; S163-V245 PolarHBondContact N-O 2.8Å; V245-V247 PolarHBondContact O-N 3.44Å
246A96.7Very high90.6Very high59 Ų5962.4 Ų62.449%0.48835%0.346SS..EExtended strand (participates in β ladder)trans-67.1124.3173.100000110.3
247V96Very high89.6Confident2 Ų263.8 Ų63.81%0.01235%0.354CS..  trans-116.6149.4-177.9-63.40000112T136 D140 L144 S163 H166 V245 W249T136-V247 HydrophobicContact CG2-CG2 4.05Å; D140-V247 HydrophobicContact CB-CB 4.24Å; D140-V247 HydrophobicContact CB-CG1 4.01Å; D140-V247 WeakPolarHBondContact OD2-CB 3.39Å; L144-V247 HydrophobicContact CD1-CG1 3.87Å; S163-V247 PolarHBondContact O-N 2.94Å; H166-V247 PolarHBondContact CE1-O 2.8Å; V245-V247 PolarHBondContact O-N 3.44Å; V247-W249 PolarHBondContact O-N 3.07Å
248N93.2Very high89.1Confident80 Ų8065.8 Ų65.843%0.42836%0.358SS..  trans-65.8101.6169.7-67.8-87.4000109.3T136 K137 D140T136-N248 WeakPolarHBondContact CA-O 3.24Å; K137-N248 HydrophobicContact CB-CB 4.31Å; K137-N248 HydrophobicContact CD-CB 3.75Å; K137-N248 HydrophobicContact CG-CB 3.97Å; K137-N248 PolarHBondContact N-O 3.26Å; D140-N248 PolarHBondContact OD1-ND2 2.95Å; D140-N248 WeakPolarHBondContact OD2-CA 3.35Å; D140-N248 VanDerWaalsContact OD2-CB 3.26Å; D140-N248 WeakPolarHBondContact OD2-CB 3.48Å; D140-N248 PolarHBondContact OD2-N 3.38Å; D140-N248 PolarHBondContact OD2-ND2 3.5Å
249W91.8Very high88.3Confident64 Ų6468.6 Ų68.624%0.24238%0.379CS..BIsolated β-bridgetrans-112.8137.6177.8-173.787.3000110.7A135 R164 L167 V247 E251A135-W249 WeakPolarHBondContact O-CA 3.35Å; R164-W249 VanDerWaalsContact CD-CD1 3.45Å; R164-W249 HydrophobicContact CG-CB 3.78Å; R164-W249 HydrophobicContact CG-CD2 4.1Å; R164-W249 HydrophobicContact CG-CG 3.6Å; L167-W249 HydrophobicContact CD1-CB 3.92Å; L167-W249 HydrophobicContact CD1-CE3 4.13Å; V247-W249 PolarHBondContact O-N 3.07Å; W249-E251 HydrophobicContact CH2-CB 3.79Å; W249-E251 HydrophobicContact CH2-CG 4.09Å; W249-E251 HydrophobicContact CZ3-CB 3.94Å
250H87.5Confident87.7Confident73 Ų7365.3 Ų65.334%0.33836%0.362SS..  trans-127.6149.2172.565.8-76.5000110.7G134 A135 V252G134-H250 PolarHBondContact O-CE1 3.19Å; A135-H250 PolarHBondContact O-N 3.04Å; A135-H250 PolarHBondContact O-ND1 2.82Å; H250-V252 PolarHBondContact O-N 2.85Å
251E84.1Confident87.2Confident119 Ų11969.7 Ų69.756%0.55639%0.385SS*.  trans-72.1127.3176.9-167.1154.9-148.600109.4W249W249-E251 HydrophobicContact CH2-CB 3.79Å; W249-E251 HydrophobicContact CH2-CG 4.09Å; W249-E251 HydrophobicContact CZ3-CB 3.94Å
252V85.3Confident86.5Confident33 Ų3367.9 Ų67.920%0.237%0.374CS..  trans-115.3118.9177.3-177.10000108D133 A135 H250D133-V252 HydrophobicContact CB-CB 4.36Å; D133-V252 HydrophobicContact CB-CG1 4.17Å; A135-V252 HydrophobicContact CB-CG2 3.9Å; H250-V252 PolarHBondContact O-N 2.85Å
253D78.5Confident85.9Confident144 Ų14468.3 Ų68.377%0.7738%0.38SS*.SBendtrans-67.2166.2177.2-70.5-44.2000112.3R47R47-D253 PolarHBondContact NH1-O 3.17Å
254G74.4Confident85.4Confident51 Ų5172.7 Ų72.753%0.52640%0.402SS..  trans9515.5175.600000115.2K256G254-K256 PolarHBondContact O-N 3.15Å
255S75.9Confident85Confident83 Ų8373.4 Ų73.458%0.5841%0.405SS*.  trans-60.4125.5170.9-176.60000111.1L257S255-L257 VanDerWaalsContact C-N 3.33Å
256K74.1Confident84.7Confident140 Ų14073.5 Ų73.561%0.60941%0.405SS*.  trans-905.7-179.2-63.4177.1178.4172.30113.2D43 G254D43-K256 HydrophobicContact CB-CD 4.41Å; D43-K256 PolarHBondContact O-NZ 2.98Å; G254-K256 PolarHBondContact O-N 3.15Å
257L74.3Confident84.5Confident70 Ų7071.4 Ų71.437%0.36639%0.389SS..  trans-88.7136.9-175.1-58.2179.1000111.7W225 S255 P259W225-L257 HydrophobicContact CD2-CD1 4.35Å; W225-L257 HydrophobicContact CE3-CD1 4.17Å; W225-L257 HydrophobicContact CH2-CD1 3.62Å; W225-L257 HydrophobicContact CH2-CD2 3.53Å; W225-L257 HydrophobicContact CH2-CG 4.12Å; W225-L257 HydrophobicContact CZ2-CD1 3.81Å; W225-L257 HydrophobicContact CZ2-CD2 3.14Å; W225-L257 HydrophobicContact CZ2-CG 4.1Å; W225-L257 HydrophobicContact CZ3-CD1 3.79Å; S255-L257 VanDerWaalsContact C-N 3.33Å; L257-P259 WeakPolarHBondContact O-CD 3.39Å
258N81.3Confident84.4Confident91 Ų9178.1 Ų78.149%0.48742%0.418SS..  trans-75.2110163.2-177.2-45.9000108.1F260 L261 A262N258-F260 VanDerWaalsContact C-N 3.29Å; N258-F260 PolarHBondContact O-N 3.4Å; N258-F260 PolarHBondContact OD1-N 3.35Å; N258-F260 VanDerWaalsContact OD1-N 3.17Å; N258-L261 HydrophobicContact CB-CB 4.24Å; N258-L261 HydrophobicContact CB-CD1 4.23Å; N258-L261 HydrophobicContact CB-CG 4.37Å; N258-L261 PolarHBondContact O-N 2.94Å; N258-L261 PolarHBondContact OD1-N 3.2Å; N258-A262 WeakPolarHBondContact O-CB 3.24Å; N258-A262 PolarHBondContact O-N 3.47Å
259P78.2Confident84.5Confident96 Ų9675.5 Ų75.562%0.62340%0.404SS*.Hα-helixtrans-62.3-36.6-170.4-24.236000112.8L257 S263L257-P259 WeakPolarHBondContact O-CD 3.39Å; P259-S263 WeakPolarHBondContact O-CB 3.34Å; P259-S263 PolarHBondContact O-N 3.09Å; P259-S263 PolarHBondContact O-OG 3.26Å
260F83.2Confident84.7Confident101 Ų10172.5 Ų72.544%0.44339%0.393SS..Hα-helixtrans-69.4-48.3-178178-102.2000112F178 N258 A262 S263 L264F178-F260 HydrophobicContact CE1-CD2 4.39Å; F178-F260 HydrophobicContact CZ-CD2 4.23Å; F178-F260 HydrophobicContact CZ-CE2 4.29Å; N258-F260 VanDerWaalsContact C-N 3.29Å; N258-F260 PolarHBondContact O-N 3.4Å; N258-F260 PolarHBondContact OD1-N 3.35Å; N258-F260 VanDerWaalsContact OD1-N 3.17Å; F260-A262 VanDerWaalsContact C-N 3.33Å; F260-A262 PolarHBondContact O-N 3.34Å; F260-S263 PolarHBondContact O-N 3.32Å; F260-L264 HydrophobicContact CD1-CD1 4.13Å; F260-L264 HydrophobicContact CE1-CD1 3.47Å; F260-L264 VanDerWaalsContact CE1-CD1 3.47Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.4Å; F260-L264 HydrophobicContact CZ-CD1 3.63Å; F260-L264 HydrophobicContact CZ-CG 4.22Å; F260-L264 PolarHBondContact O-N 2.97Å
261L85.1Confident85Confident105 Ų10571.4 Ų71.455%0.5539%0.392SS..Hα-helixtrans-64.9-40.3178.2-64.9179.1000111.3N258 S263 L264 E265N258-L261 HydrophobicContact CB-CB 4.24Å; N258-L261 HydrophobicContact CB-CD1 4.23Å; N258-L261 HydrophobicContact CB-CG 4.37Å; N258-L261 PolarHBondContact O-N 2.94Å; N258-L261 PolarHBondContact OD1-N 3.2Å; L261-S263 PolarHBondContact O-N 2.69Å; L261-L264 PolarHBondContact O-N 2.7Å; L261-E265 WeakPolarHBondContact O-CB 3.23Å; L261-E265 PolarHBondContact O-N 3.27Å
262A84.6Confident85.5Confident12 Ų1266.4 Ų66.410%0.09937%0.369CS..Hα-helixtrans-61.7-42.517500000111.6N258 F260 L264 E265 M266N258-A262 WeakPolarHBondContact O-CB 3.24Å; N258-A262 PolarHBondContact O-N 3.47Å; F260-A262 VanDerWaalsContact C-N 3.33Å; F260-A262 PolarHBondContact O-N 3.34Å; A262-L264 PolarHBondContact O-N 3.37Å; A262-E265 PolarHBondContact O-N 2.91Å; A262-M266 WeakPolarHBondContact O-CB 3.31Å; A262-M266 WeakPolarHBondContact O-CG 3.08Å; A262-M266 PolarHBondContact O-N 2.78Å
263S85.2Confident86Confident40 Ų4064.8 Ų64.828%0.2836%0.359SS..Hα-helixtrans-62.5-39.6175.8-67.20000113P259 F260 L261 G267P259-S263 WeakPolarHBondContact O-CB 3.34Å; P259-S263 PolarHBondContact O-N 3.09Å; P259-S263 PolarHBondContact O-OG 3.26Å; F260-S263 PolarHBondContact O-N 3.32Å; L261-S263 PolarHBondContact O-N 2.69Å; S263-G267 PolarHBondContact O-N 3.26Å
264L88.6Confident86.7Confident100 Ų10062 Ų6252%0.52434%0.338SS..Hα-helixtrans-68.4-45.5176.6-71-179.3000112.4F260 L261 A262 M266 G267 F268F260-L264 HydrophobicContact CD1-CD1 4.13Å; F260-L264 HydrophobicContact CE1-CD1 3.47Å; F260-L264 VanDerWaalsContact CE1-CD1 3.47Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.4Å; F260-L264 HydrophobicContact CZ-CD1 3.63Å; F260-L264 HydrophobicContact CZ-CG 4.22Å; F260-L264 PolarHBondContact O-N 2.97Å; L261-L264 PolarHBondContact O-N 2.7Å; A262-L264 PolarHBondContact O-N 3.37Å; L264-M266 VanDerWaalsContact C-N 3.34Å; L264-M266 PolarHBondContact O-N 2.91Å; L264-G267 PolarHBondContact O-N 2.72Å; L264-F268 PolarHBondContact O-N 2.88Å
265E90.8Very high87.6Confident60 Ų6062.6 Ų62.628%0.2833%0.329SS..Hα-helixtrans-56.1-50.3175.2-176.3177.6-167.600110.1R224 L261 A262 G267 F268 D269R224-E265 WeakPolarHBondContact CD-OE1 3.44Å; R224-E265 IonicContact CZ-OE1 2.72Å; R224-E265 IonicContact NE-OE1 2.74Å; R224-E265 IonicContact NH1-OE1 3.31Å; R224-E265 PolarHBondContact NH1-OE1 3.12Å; R224-E265 IonicContact NH1-OE2 3.41Å; L261-E265 WeakPolarHBondContact O-CB 3.23Å; L261-E265 PolarHBondContact O-N 3.27Å; A262-E265 PolarHBondContact O-N 2.91Å; E265-G267 PolarHBondContact O-N 3.5Å; E265-F268 PolarHBondContact O-N 2.84Å; E265-D269 PolarHBondContact O-N 2.71Å
266M91.1Very high88.6Confident21 Ų2163.3 Ų63.310%0.10332%0.319CS..Hα-helixtrans-63.4-40.1178.3-70-173.8-61.100113.2F186 Q202 W225 A262 L264 F268 D269 I270F186-M266 HydrophobicContact CE2-CB 3.81Å; F186-M266 HydrophobicContact CE2-CE 4.42Å; F186-M266 HydrophobicContact CE2-SD 4.39Å; F186-M266 HydrophobicContact CZ-SD 4.46Å; Q202-M266 PolarHBondContact NE2-SD 3.05Å; W225-M266 HydrophobicContact CB-CG 3.5Å; W225-M266 HydrophobicContact CB-SD 3.63Å; W225-M266 HydrophobicContact CG-CG 4.41Å; A262-M266 WeakPolarHBondContact O-CB 3.31Å; A262-M266 WeakPolarHBondContact O-CG 3.08Å; A262-M266 PolarHBondContact O-N 2.78Å; L264-M266 VanDerWaalsContact C-N 3.34Å; L264-M266 PolarHBondContact O-N 2.91Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 3.39Å; M266-D269 PolarHBondContact O-N 3.17Å; M266-I270 WeakPolarHBondContact O-CG1 3.34Å; M266-I270 PolarHBondContact O-N 3.18Å
267G92.3Very high89.4Confident15 Ų1557.7 Ų57.716%0.15529%0.294CS..Hα-helixtrans-61.8-41.1177.400000112.4S263 L264 E265S263-G267 PolarHBondContact O-N 3.26Å; L264-G267 PolarHBondContact O-N 2.72Å; E265-G267 PolarHBondContact O-N 3.5Å
268F94.2Very high90.2Very high142 Ų14257.9 Ų57.962%0.62330%0.298SS*.Hα-helixtrans-66.1-45.2173.5179.1-100.8000111.7L264 E265 M266 I270 V271 V272L264-F268 PolarHBondContact O-N 2.88Å; E265-F268 PolarHBondContact O-N 2.84Å; M266-F268 VanDerWaalsContact C-N 3.33Å; M266-F268 PolarHBondContact O-N 3.39Å; F268-I270 VanDerWaalsContact C-N 3.31Å; F268-I270 PolarHBondContact O-N 3.16Å; F268-V271 PolarHBondContact O-N 2.86Å; F268-V272 HydrophobicContact CD1-CG2 3.91Å; F268-V272 HydrophobicContact CE1-CG2 3.51Å; F268-V272 HydrophobicContact CE2-CG2 4.23Å; F268-V272 HydrophobicContact CG-CG2 4.44Å; F268-V272 HydrophobicContact CZ-CG2 3.69Å; F268-V272 WeakPolarHBondContact O-CG2 3.41Å; F268-V272 PolarHBondContact O-N 3.01Å
269D95.1Very high90.7Very high26 Ų2660.3 Ų60.314%0.13931%0.305CS..Hα-helixtrans-59.8-39179.2-74.9-15.1000112.3M222 A226 E265 M266 V271 V272 I273M222-D269 HydrophobicContact SD-CB 4.04Å; A226-D269 HydrophobicContact CB-CB 3.4Å; E265-D269 PolarHBondContact O-N 2.71Å; M266-D269 PolarHBondContact O-N 3.17Å; D269-V271 PolarHBondContact O-N 2.95Å; D269-V272 CarbonylContact O-C 3.58Å; D269-V272 WeakPolarHBondContact O-CB 3.32Å; D269-V272 PolarHBondContact O-N 2.76Å; D269-I273 VanDerWaalsContact O-CG1 3.23Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 3.02Å
270I95Very high91.2Very high0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-57-48.4175-73.6164.7000111.4F186 L189 V190 F193 V229 M266 F268 V272 I273 W274F186-I270 HydrophobicContact CD2-CD1 3.79Å; F186-I270 HydrophobicContact CE2-CD1 3.24Å; F186-I270 HydrophobicContact CE2-CG1 4.43Å; F186-I270 HydrophobicContact CZ-CD1 3.8Å; L189-I270 HydrophobicContact CB-CD1 4.38Å; L189-I270 HydrophobicContact CB-CG2 4.32Å; V190-I270 HydrophobicContact CG2-CD1 3.49Å; V190-I270 VanDerWaalsContact CG2-CD1 3.49Å; V190-I270 HydrophobicContact CG2-CG1 4.33Å; F193-I270 HydrophobicContact CB-CG2 3.96Å; F193-I270 HydrophobicContact CD2-CG2 4.34Å; V229-I270 HydrophobicContact CG1-CG1 4.31Å; M266-I270 WeakPolarHBondContact O-CG1 3.34Å; M266-I270 PolarHBondContact O-N 3.18Å; F268-I270 VanDerWaalsContact C-N 3.31Å; F268-I270 PolarHBondContact O-N 3.16Å; I270-V272 VanDerWaalsContact C-N 3.29Å; I270-V272 PolarHBondContact O-N 2.71Å; I270-I273 PolarHBondContact O-N 3.01Å; I270-W274 PolarHBondContact O-N 3.04Å; I270-W274 VanDerWaalsContact O-N 3.09Å
271V94.1Very high91.5Very high51 Ų5159 Ų5931%0.30931%0.305SS..Hα-helixtrans-63.8-40.5178.9177.40000110.2F268 D269 W274 L275F268-V271 PolarHBondContact O-N 2.86Å; D269-V271 PolarHBondContact O-N 2.95Å; V271-W274 PolarHBondContact O-N 2.63Å; V271-L275 HydrophobicContact CG1-CD1 3.75Å; V271-L275 HydrophobicContact CG1-CG 4.18Å; V271-L275 WeakPolarHBondContact O-CB 3.39Å; V271-L275 WeakPolarHBondContact O-CG 3.17Å; V271-L275 PolarHBondContact O-N 2.99Å
272V95Very high91.8Very high13 Ų1355.5 Ų55.58%0.07929%0.285CS..Hα-helixtrans-63.6-45177167.60000112.3F268 D269 I270 W274 L275 R276 W282F268-V272 HydrophobicContact CD1-CG2 3.91Å; F268-V272 HydrophobicContact CE1-CG2 3.51Å; F268-V272 HydrophobicContact CE2-CG2 4.23Å; F268-V272 HydrophobicContact CG-CG2 4.44Å; F268-V272 HydrophobicContact CZ-CG2 3.69Å; F268-V272 WeakPolarHBondContact O-CG2 3.41Å; F268-V272 PolarHBondContact O-N 3.01Å; D269-V272 CarbonylContact O-C 3.58Å; D269-V272 WeakPolarHBondContact O-CB 3.32Å; D269-V272 PolarHBondContact O-N 2.76Å; I270-V272 VanDerWaalsContact C-N 3.29Å; I270-V272 PolarHBondContact O-N 2.71Å; V272-W274 VanDerWaalsContact C-N 3.34Å; V272-W274 PolarHBondContact O-N 2.98Å; V272-L275 PolarHBondContact O-N 3.23Å; V272-R276 HydrophobicContact CG1-CG 4.23Å; V272-R276 VanDerWaalsContact O-CB 3.31Å; V272-R276 WeakPolarHBondContact O-CB 2.98Å; V272-R276 WeakPolarHBondContact O-CG 3.1Å; V272-R276 PolarHBondContact O-N 3.08Å; V272-W282 HydrophobicContact CG1-CH2 4.07Å
273I94.6Very high91.7Very high0 Ų064.8 Ų64.80%032%0.318CS..Hα-helixtrans-54.3-55175.4-70.7159.8000108.7M222 A226 E230 F233 D269 I270 L275 R276 Y277 W282M222-I273 HydrophobicContact CG-CD1 3.93Å; M222-I273 HydrophobicContact CG-CG1 3.82Å; M222-I273 HydrophobicContact SD-CD1 4.41Å; M222-I273 HydrophobicContact SD-CG1 4.11Å; A226-I273 HydrophobicContact CB-CD1 4.1Å; E230-I273 HydrophobicContact CB-CD1 3.86Å; E230-I273 HydrophobicContact CB-CG1 4.17Å; E230-I273 HydrophobicContact CB-CG2 4.42Å; E230-I273 HydrophobicContact CG-CG1 4.41Å; E230-I273 HydrophobicContact CG-CG2 4.33Å; F233-I273 HydrophobicContact CD1-CG2 4.25Å; F233-I273 HydrophobicContact CG-CG2 4.38Å; D269-I273 VanDerWaalsContact O-CG1 3.23Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 3.02Å; I270-I273 PolarHBondContact O-N 3.01Å; I273-L275 PolarHBondContact O-N 2.98Å; I273-R276 PolarHBondContact O-N 2.81Å; I273-Y277 HydrophobicContact CG2-CD2 3.97Å; I273-Y277 HydrophobicContact CG2-CE2 4.25Å; I273-Y277 VanDerWaalsContact O-CD2 3.32Å; I273-Y277 WeakPolarHBondContact O-CD2 3.49Å; I273-Y277 PolarHBondContact O-N 2.85Å; I273-W282 HydrophobicContact CG1-CZ3 4.31Å
274W93.5Very high91.3Very high84 Ų8465.2 Ų65.232%0.31832%0.318SS..Hα-helixtrans-60.3-49.4-178.3176.472.9000112.6F193 I270 V271 V272 R276 T278F193-W274 HydrophobicContact CB-CB 3.84Å; F193-W274 HydrophobicContact CB-CG 3.99Å; F193-W274 HydrophobicContact CD1-CB 4.2Å; F193-W274 AromaticContact CD1-CD2 3.53Å; F193-W274 HydrophobicContact CD1-CD2 3.53Å; F193-W274 AromaticContact CD1-CE3 3.74Å; F193-W274 HydrophobicContact CD1-CE3 3.74Å; F193-W274 AromaticContact CD1-CG 3.72Å; F193-W274 HydrophobicContact CD1-CG 3.72Å; F193-W274 HydrophobicContact CD1-CZ3 4.37Å; F193-W274 HydrophobicContact CE1-CD2 4.12Å; F193-W274 AromaticContact CE1-CE3 3.91Å; F193-W274 HydrophobicContact CE1-CE3 3.91Å; F193-W274 HydrophobicContact CE1-CZ3 4.13Å; F193-W274 HydrophobicContact CG-CB 4.38Å; F193-W274 HydrophobicContact CG-CG 4.3Å; I270-W274 PolarHBondContact O-N 3.04Å; I270-W274 VanDerWaalsContact O-N 3.09Å; V271-W274 PolarHBondContact O-N 2.63Å; V272-W274 VanDerWaalsContact C-N 3.34Å; V272-W274 PolarHBondContact O-N 2.98Å; W274-R276 PolarHBondContact O-N 2.72Å; W274-T278 HydrophobicContact CZ2-CG2 4.41Å; W274-T278 PolarHBondContact NE1-OG1 2.72Å; W274-T278 WeakPolarHBondContact O-CB 3.48Å; W274-T278 PolarHBondContact O-N 3.03Å; W274-T278 PolarHBondContact O-OG1 3.49Å
275L94.7Very high90.3Very high64 Ų6462.5 Ų62.534%0.33531%0.31SS..Hα-helixtrans-59.6-48.1178.9-70.8173.1000111.3V271 V272 I273 Y277 T278 F279V271-L275 HydrophobicContact CG1-CD1 3.75Å; V271-L275 HydrophobicContact CG1-CG 4.18Å; V271-L275 WeakPolarHBondContact O-CB 3.39Å; V271-L275 WeakPolarHBondContact O-CG 3.17Å; V271-L275 PolarHBondContact O-N 2.99Å; V272-L275 PolarHBondContact O-N 3.23Å; I273-L275 PolarHBondContact O-N 2.98Å; L275-Y277 PolarHBondContact O-N 3.46Å; L275-T278 PolarHBondContact O-N 2.92Å; L275-F279 HydrophobicContact CB-CD2 4.36Å; L275-F279 HydrophobicContact CD2-CD2 4.16Å; L275-F279 HydrophobicContact CD2-CE2 3.61Å; L275-F279 WeakPolarHBondContact O-CB 3.27Å; L275-F279 WeakPolarHBondContact O-CD2 3.49Å; L275-F279 PolarHBondContact O-N 2.73Å
276R95Very high88.8Confident99 Ų9965.5 Ų65.537%0.37434%0.335SS..Hα-helixtrans-68.9-35.9-173.9-72.1-171.4173139.50.2113.1V272 I273 W274 G280 L281 W282V272-R276 HydrophobicContact CG1-CG 4.23Å; V272-R276 VanDerWaalsContact O-CB 3.31Å; V272-R276 WeakPolarHBondContact O-CB 2.98Å; V272-R276 WeakPolarHBondContact O-CG 3.1Å; V272-R276 PolarHBondContact O-N 3.08Å; I273-R276 PolarHBondContact O-N 2.81Å; W274-R276 PolarHBondContact O-N 2.72Å; R276-G280 PolarHBondContact O-N 2.95Å; R276-L281 HydrophobicContact CB-CB 4.27Å; R276-L281 HydrophobicContact CG-CB 4.41Å; R276-L281 HydrophobicContact CG-CD1 4.25Å; R276-L281 PolarHBondContact O-N 3.09Å; R276-W282 HydrophobicContact CB-CB 4.25Å; R276-W282 HydrophobicContact CB-CD2 3.53Å; R276-W282 HydrophobicContact CB-CE3 3.6Å; R276-W282 HydrophobicContact CB-CG 3.81Å; R276-W282 HydrophobicContact CB-CZ3 4.15Å; R276-W282 HydrophobicContact CG-CD2 4.22Å; R276-W282 HydrophobicContact CG-CE3 4.43Å; R276-W282 HydrophobicContact CG-CZ2 4.49Å; R276-W282 PolarHBondContact O-N 3.25Å
277Y92.4Very high86.9Confident21 Ų2168.1 Ų68.18%0.08235%0.352CS..Hα-helixtrans-76.2-40.3173.1-77.5-70.1000112.5S219 H221 E230 F233 L234 I273 L275 F279 G280 W282 V284S219-Y277 PolarHBondContact O-OH 3.05Å; S219-Y277 VanDerWaalsContact O-OH 3.12Å; H221-Y277 AromaticContact ND1-CZ 3.99Å; H221-Y277 PolarHBondContact ND1-OH 3.41Å; E230-Y277 HydrophobicContact CG-CE2 3.88Å; E230-Y277 PolarHBondContact OE1-OH 2.93Å; F233-Y277 AromaticContact CD1-CD2 3.86Å; F233-Y277 HydrophobicContact CD1-CD2 3.86Å; F233-Y277 HydrophobicContact CD1-CE2 4.26Å; F233-Y277 HydrophobicContact CD1-CG 4.27Å; F233-Y277 HydrophobicContact CE1-CD1 4.22Å; F233-Y277 AromaticContact CE1-CD2 3.5Å; F233-Y277 HydrophobicContact CE1-CD2 3.5Å; F233-Y277 VanDerWaalsContact CE1-CD2 3.5Å; F233-Y277 HydrophobicContact CE1-CE2 4.27Å; F233-Y277 AromaticContact CE1-CG 3.48Å; F233-Y277 HydrophobicContact CE1-CG 3.48Å; F233-Y277 VanDerWaalsContact CE1-CG 3.48Å; F233-Y277 HydrophobicContact CZ-CD2 4.46Å; F233-Y277 HydrophobicContact CZ-CG 4.28Å; L234-Y277 HydrophobicContact CD2-CD1 4.41Å; L234-Y277 HydrophobicContact CD2-CE1 3.65Å; L234-Y277 HydrophobicContact CD2-CE2 4.27Å; I273-Y277 HydrophobicContact CG2-CD2 3.97Å; I273-Y277 HydrophobicContact CG2-CE2 4.25Å; I273-Y277 VanDerWaalsContact O-CD2 3.32Å; I273-Y277 WeakPolarHBondContact O-CD2 3.49Å; I273-Y277 PolarHBondContact O-N 2.85Å; L275-Y277 PolarHBondContact O-N 3.46Å; Y277-F279 VanDerWaalsContact C-N 3.34Å; Y277-F279 PolarHBondContact O-N 3.1Å; Y277-G280 PolarHBondContact O-N 3.3Å; Y277-G280 VanDerWaalsContact O-N 3.11Å; Y277-W282 HydrophobicContact CD1-CB 3.82Å; Y277-W282 WeakPolarHBondContact CD1-O 3.45Å; Y277-W282 HydrophobicContact CD2-CB 4.47Å; Y277-W282 AromaticContact CD2-CE3 3.97Å; Y277-W282 HydrophobicContact CD2-CE3 3.97Å; Y277-W282 HydrophobicContact CE1-CB 3.64Å; Y277-W282 HydrophobicContact CE2-CB 4.3Å; Y277-W282 AromaticContact CE2-CE3 3.59Å; Y277-W282 HydrophobicContact CE2-CE3 3.59Å; Y277-W282 HydrophobicContact CE2-CZ3 4.33Å; Y277-W282 HydrophobicContact CG-CB 4.23Å; Y277-V284 HydrophobicContact CD1-CG2 4Å; Y277-V284 HydrophobicContact CE1-CG2 4.04Å
278T90Very high84.6Confident74 Ų7477.4 Ų77.445%0.45439%0.388SS..Hα-helixtrans-62.4-41.2179.1-61.70000111.7W274 L275 G280W274-T278 HydrophobicContact CZ2-CG2 4.41Å; W274-T278 PolarHBondContact NE1-OG1 2.72Å; W274-T278 WeakPolarHBondContact O-CB 3.48Å; W274-T278 PolarHBondContact O-N 3.03Å; W274-T278 PolarHBondContact O-OG1 3.49Å; L275-T278 PolarHBondContact O-N 2.92Å; T278-G280 VanDerWaalsContact C-N 3.3Å; T278-G280 PolarHBondContact O-N 2.78Å
279F92.5Very high82Confident143 Ų14377.2 Ų77.263%0.62739%0.387SS*.THydrogen-bonded Turntrans-88.58.1177.7-66.5-67.3000113.6L275 Y277 L281L275-F279 HydrophobicContact CB-CD2 4.36Å; L275-F279 HydrophobicContact CD2-CD2 4.16Å; L275-F279 HydrophobicContact CD2-CE2 3.61Å; L275-F279 WeakPolarHBondContact O-CB 3.27Å; L275-F279 WeakPolarHBondContact O-CD2 3.49Å; L275-F279 PolarHBondContact O-N 2.73Å; Y277-F279 VanDerWaalsContact C-N 3.34Å; Y277-F279 PolarHBondContact O-N 3.1Å; F279-L281 HydrophobicContact CB-CG 4.46Å; F279-L281 PolarHBondContact O-N 3.15Å; F279-L281 VanDerWaalsContact O-N 3.15Å
280G87.7Confident79.3Confident40 Ų4081 Ų8141%0.41242%0.416SS..THydrogen-bonded Turntrans65.715.317500000115.3R276 Y277 T278 W282R276-G280 PolarHBondContact O-N 2.95Å; Y277-G280 PolarHBondContact O-N 3.3Å; Y277-G280 VanDerWaalsContact O-N 3.11Å; T278-G280 VanDerWaalsContact C-N 3.3Å; T278-G280 PolarHBondContact O-N 2.78Å; G280-W282 VanDerWaalsContact C-N 3.31Å
281L89.9Confident76.4Confident128 Ų12887.8 Ų87.867%0.6745%0.452SS*.SBendtrans-68-36.8173.1-63.6177.7000110.7R276 F279R276-L281 HydrophobicContact CB-CB 4.27Å; R276-L281 HydrophobicContact CG-CB 4.41Å; R276-L281 HydrophobicContact CG-CD1 4.25Å; R276-L281 PolarHBondContact O-N 3.09Å; F279-L281 HydrophobicContact CB-CG 4.46Å; F279-L281 PolarHBondContact O-N 3.15Å; F279-L281 VanDerWaalsContact O-N 3.15Å
282W90.7Very high73.3Confident33 Ų3388.7 Ų88.713%0.12547%0.471CS..SBendtrans-105.8138.3165.6-67.6-15.6000109.2H221 M222 V272 I273 R276 Y277 G280H221-W282 HydrophobicContact CB-CD2 3.86Å; H221-W282 HydrophobicContact CB-CE3 3.96Å; H221-W282 HydrophobicContact CB-CH2 3.58Å; H221-W282 HydrophobicContact CB-CZ2 3.4Å; H221-W282 HydrophobicContact CB-CZ3 3.83Å; H221-W282 AromaticContact CD2-CD1 3.5Å; H221-W282 AromaticContact CD2-CD2 3.82Å; H221-W282 AromaticContact CD2-CE2 3.55Å; H221-W282 AromaticContact CD2-CG 3.79Å; H221-W282 AromaticContact CD2-NE1 3.33Å; H221-W282 PolarHBondContact CD2-NE1 2.97Å; H221-W282 VanDerWaalsContact CD2-NE1 3.33Å; H221-W282 AromaticContact CE1-CD1 3.85Å; H221-W282 AromaticContact CE1-CD2 3.94Å; H221-W282 AromaticContact CE1-CG 3.54Å; H221-W282 AromaticContact CG-CD1 3.94Å; H221-W282 AromaticContact CG-CD2 3.45Å; H221-W282 VanDerWaalsContact CG-CD2 3.45Å; H221-W282 AromaticContact CG-CE2 3.39Å; H221-W282 AromaticContact CG-CE3 3.89Å; H221-W282 AromaticContact CG-CG 3.81Å; H221-W282 AromaticContact CG-CZ2 3.83Å; H221-W282 AromaticContact CG-NE1 3.71Å; H221-W282 AromaticContact ND1-CD2 3.52Å; H221-W282 AromaticContact ND1-CE2 3.98Å; H221-W282 AromaticContact ND1-CE3 3.79Å; H221-W282 AromaticContact ND1-CG 3.64Å; H221-W282 AromaticContact NE2-CD1 3.44Å; H221-W282 AromaticContact NE2-CG 3.63Å; H221-W282 AromaticContact NE2-NE1 3.81Å; M222-W282 HydrophobicContact CE-CH2 3.43Å; M222-W282 VanDerWaalsContact CE-CH2 3.43Å; M222-W282 HydrophobicContact CE-CZ2 4.18Å; M222-W282 HydrophobicContact CE-CZ3 4.31Å; M222-W282 HydrophobicContact SD-CH2 4.26Å; V272-W282 HydrophobicContact CG1-CH2 4.07Å; I273-W282 HydrophobicContact CG1-CZ3 4.31Å; R276-W282 HydrophobicContact CB-CB 4.25Å; R276-W282 HydrophobicContact CB-CD2 3.53Å; R276-W282 HydrophobicContact CB-CE3 3.6Å; R276-W282 HydrophobicContact CB-CG 3.81Å; R276-W282 HydrophobicContact CB-CZ3 4.15Å; R276-W282 HydrophobicContact CG-CD2 4.22Å; R276-W282 HydrophobicContact CG-CE3 4.43Å; R276-W282 HydrophobicContact CG-CZ2 4.49Å; R276-W282 PolarHBondContact O-N 3.25Å; Y277-W282 HydrophobicContact CD1-CB 3.82Å; Y277-W282 WeakPolarHBondContact CD1-O 3.45Å; Y277-W282 HydrophobicContact CD2-CB 4.47Å; Y277-W282 AromaticContact CD2-CE3 3.97Å; Y277-W282 HydrophobicContact CD2-CE3 3.97Å; Y277-W282 HydrophobicContact CE1-CB 3.64Å; Y277-W282 HydrophobicContact CE2-CB 4.3Å; Y277-W282 AromaticContact CE2-CE3 3.59Å; Y277-W282 HydrophobicContact CE2-CE3 3.59Å; Y277-W282 HydrophobicContact CE2-CZ3 4.33Å; Y277-W282 HydrophobicContact CG-CB 4.23Å; G280-W282 VanDerWaalsContact C-N 3.31Å
283R84.1Confident70.2Confident207 Ų20795.8 Ų95.878%0.78150%0.503SS*.  trans-110.5136.1-179-65-175.3-179.3-176.8-0.1109.6A285R283-A285 PolarHBondContact O-N 3.17Å
284V77Confident67.1Low49 Ų49103 Ų10330%0.29754%0.54SS..PPolyproline II helixtrans-72.5119.2164.1-172.20000106.6L234 L238 Y277L234-V284 HydrophobicContact CD2-CB 4.32Å; L234-V284 HydrophobicContact CD2-CG1 4.11Å; L234-V284 HydrophobicContact CD2-CG2 3.68Å; L238-V284 HydrophobicContact CD1-CG1 3.81Å; L238-V284 HydrophobicContact CD2-CG1 3.35Å; L238-V284 HydrophobicContact CG-CG1 3.48Å; L238-V284 VanDerWaalsContact CG-CG1 3.48Å; Y277-V284 HydrophobicContact CD1-CG2 4Å; Y277-V284 HydrophobicContact CE1-CG2 4.04Å
285A67.5Low63.9Low42 Ų42103.2 Ų103.235%0.34756%0.56SS.*PPolyproline II helixtrans-58.4137.1179.300000109.6S219 R283 T287S219-A285 WeakPolarHBondContact OG-CB 3.31Å; R283-A285 PolarHBondContact O-N 3.17Å; A285-T287 PolarHBondContact O-N 3.49Å
286P58.4Low60.6Low124 Ų124106.1 Ų106.181%0.80558%0.58SS**PPolyproline II helixtrans-61.1125.6175.522.8-29.8000108.8K288P286-K288 PolarHBondContact O-N 2.81Å
287T50.4Low57.6Low75 Ų75110.6 Ų110.646%0.4663%0.627SS.*PPolyproline II helixtrans-56.8126.3169.1480000107.9A215 L238 A285 K289A215-T287 HydrophobicContact CB-CG2 4.44Å; L238-T287 HydrophobicContact CD1-CG2 4.31Å; L238-T287 HydrophobicContact CD2-CG2 3.91Å; A285-T287 PolarHBondContact O-N 3.49Å; T287-K289 PolarHBondContact O-N 3Å
288K45.4Very low55.8Low211 Ų211115.1 Ų115.192%0.91765%0.654SS**  trans-55.9109.9163.6-88.6-175.9175.2-179.60106.2P286 S290P286-K288 PolarHBondContact O-N 2.81Å; K288-S290 PolarHBondContact O-N 2.91Å
289K38.3Very low54.1Low137 Ų137117.3 Ų117.360%0.59667%0.665SS**  trans-55.7114173.6-83-174.8170.7-179.60107.6T287 N291 H293T287-K289 PolarHBondContact O-N 3Å; K289-N291 PolarHBondContact O-N 3.21Å; K289-N291 VanDerWaalsContact O-N 3.17Å; K289-H293 PolarHBondContact NZ-O 3.43Å
290S39Very low51.9Low107 Ų107115.8 Ų115.875%0.74867%0.667SS**SBendtrans-57.5113.9155.3173.10000106.2K288K288-S290 PolarHBondContact O-N 2.91Å
291N35.2Very low49.8Very low142 Ų142120.3 Ų120.376%0.75968%0.682SS**SBendtrans60.890.6171.9-60-17.1000117.9K289 H293K289-N291 PolarHBondContact O-N 3.21Å; K289-N291 VanDerWaalsContact O-N 3.17Å; N291-H293 PolarHBondContact O-N 3.03Å; N291-H293 VanDerWaalsContact O-N 3.15Å
292G28.7Very low47.3Very low69 Ų69119.8 Ų119.871%0.71168%0.682SS**  83.9-6.711200000122
293H28.5Very low44.4Very low162 Ų162125.6 Ų125.675%0.7572%0.72SS**  trans-119.6111.9177.7-73.2-73.8000113.9K289 N291 A295K289-H293 PolarHBondContact NZ-O 3.43Å; N291-H293 PolarHBondContact O-N 3.03Å; N291-H293 VanDerWaalsContact O-N 3.15Å; H293-A295 PolarHBondContact O-N 2.85Å
294I29.4Very low41.6Very low152 Ų152119.8 Ų119.878%0.77972%0.715SS**  trans-72109.8166.1-56172.3000106.4V296I294-V296 HydrophobicContact CG2-CG2 3.7Å
295A27.4Very low38.9Very low88 Ų88125.2 Ų125.273%0.72775%0.747SS**  trans-88.5109.9162.800000106.4H293H293-A295 PolarHBondContact O-N 2.85Å
296V25.9Very low36.5Very low125 Ų125132.2 Ų132.276%0.75878%0.781SS**  trans-90.6103.3167.8179.20000106.2I294I294-V296 HydrophobicContact CG2-CG2 3.7Å
297S31.3Very low34.5Very low194 Ų194132.9 Ų132.9100%1.35778%0.778SS**  trans-162.80151.3-33.60000109.2

Retrieved 297 of 297 residues in 205.4 ms (Link to these results)

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