A0A077ZAQ2_TRITR Loading...

Asparaginase 2 domain containing protein

Has both L-asparaginase and beta-aspartyl peptidase activity. Does not have aspartylglucosaminidase activity and is inactive toward GlcNAc-L-Asn. Likewise, has no activity toward glutamine.

AlphaFold DB , UniProt , Accession A0A077ZAQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M31.9Very low79.2Confident242 Ų24253.6 Ų53.6100%1.19229%0.292SS*.  01020-77.1-172.1-97.500107.4G3M1-G3 PolarHBondContact O-N 3.18Å
2L40.9Very low80.7Confident152 Ų15249.2 Ų49.280%0.79627%0.267SS*.  trans-72.994.3161.4-81.6154.8000104.5
3G52.5Low81.5Confident48 Ų4845.4 Ų45.450%0.49525%0.247SC..  trans-51.4151.5169.200000109.1M1 K5M1-G3 PolarHBondContact O-N 3.18Å; G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 WeakPolarHBondContact O-CG 3.37Å; G3-K5 PolarHBondContact O-N 3.22Å
4N71.4Confident81.7Confident75 Ų7542.4 Ų42.440%0.40123%0.231SC..  trans-59.493.9-179.3-17612.1000109.7V6 P305N4-V6 PolarHBondContact O-N 3.14Å; N4-V6 WeakPolarHBondContact OD1-CB 3.28Å; N4-V6 VanDerWaalsContact OD1-CG2 3.3Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.36Å; N4-V6 PolarHBondContact OD1-N 3.37Å; N4-P305 VanDerWaalsContact O-CB 3.23Å; N4-P305 WeakPolarHBondContact O-CB 3.4Å
5K86.6Confident81.1Confident68 Ų6839.8 Ų39.830%0.29622%0.218SC..  trans-75.9-5.3-176.9-70.4-165.5172-157.40113G3 A7 L191 G285G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 WeakPolarHBondContact O-CG 3.37Å; G3-K5 PolarHBondContact O-N 3.22Å; K5-A7 PolarHBondContact O-N 3.2Å; K5-L191 HydrophobicContact CB-CD2 4.25Å; K5-L191 WeakPolarHBondContact O-CD2 3.38Å; K5-L191 VanDerWaalsContact O-CG 3.32Å; K5-L191 WeakPolarHBondContact O-CG 3.4Å; K5-G285 PolarHBondContact NZ-O 3.27Å
6V95.4Very high80.1Confident5 Ų544 Ų443%0.0324%0.239CC..  trans-62124.7-172.2178.30000109.7N4 F42 L45 I46 L191 K193N4-V6 PolarHBondContact O-N 3.14Å; N4-V6 WeakPolarHBondContact OD1-CB 3.28Å; N4-V6 VanDerWaalsContact OD1-CG2 3.3Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.36Å; N4-V6 PolarHBondContact OD1-N 3.37Å; V6-F42 HydrophobicContact CB-CE2 4.43Å; V6-F42 HydrophobicContact CG1-CD2 3.86Å; V6-F42 HydrophobicContact CG1-CE2 3.6Å; V6-L45 HydrophobicContact CG1-CB 3.57Å; V6-L45 HydrophobicContact CG1-CD1 3.66Å; V6-L45 HydrophobicContact CG1-CG 4.19Å; V6-I46 HydrophobicContact CG1-CD1 4.43Å; V6-L191 WeakPolarHBondContact CA-O 3.29Å; V6-K193 HydrophobicContact CG2-CB 4.17Å
7A97.9Very high79.7Confident0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-149.3152.7179.600000110.3K5 L191 L283 L303 P305K5-A7 PolarHBondContact O-N 3.2Å; A7-L191 HydrophobicContact CB-CB 4.28Å; A7-L191 PolarHBondContact N-O 3.07Å; A7-L191 PolarHBondContact O-N 3.09Å; A7-L283 HydrophobicContact CB-CD1 3.66Å; A7-L283 HydrophobicContact CB-CD2 3.96Å; A7-L283 HydrophobicContact CB-CG 4.36Å; A7-L283 WeakPolarHBondContact O-CD2 3.46Å; A7-L303 VanDerWaalsContact CA-O 3.26Å; A7-L303 WeakPolarHBondContact CA-O 3.49Å; A7-P305 HydrophobicContact CB-CG 4.36Å
8I98.7Very high79.2Confident0 Ų041.9 Ų41.90%023%0.231CC..EExtended strand (participates in β ladder)trans-151.4144.8-178.1-179.7165.5000109.9V10 L38 F42 L45 S58 V189 T190 Y302 L303I8-V10 HydrophobicContact CD1-CG1 4.49Å; I8-V10 HydrophobicContact CG1-CG1 4.43Å; I8-L38 HydrophobicContact CG2-CD1 4.24Å; I8-L38 HydrophobicContact CG2-CD2 4.11Å; I8-L38 HydrophobicContact CG2-CG 3.86Å; I8-F42 HydrophobicContact CG2-CB 4.26Å; I8-F42 HydrophobicContact CG2-CD2 4.33Å; I8-L45 HydrophobicContact CB-CD1 4.31Å; I8-S58 WeakPolarHBondContact CD1-OG 3.34Å; I8-V189 WeakPolarHBondContact CA-O 3.33Å; I8-T190 HydrophobicContact CB-CG2 4.32Å; I8-T190 HydrophobicContact CD1-CG2 3.71Å; I8-T190 HydrophobicContact CG1-CG2 3.8Å; I8-Y302 CarbonylContact O-C 3.33Å; I8-Y302 VanDerWaalsContact O-CA 3.25Å; I8-Y302 WeakPolarHBondContact O-CA 3.47Å; I8-L303 HydrophobicContact CG2-CB 3.98Å; I8-L303 PolarHBondContact N-O 3.08Å; I8-L303 PolarHBondContact O-N 3.46Å
9A98.8Very high79.3Confident0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-134151.3163.700000110.1A188 V189 I281 A301A9-A188 CarbonylContact O-C 3.55Å; A9-A188 VanDerWaalsContact O-CA 3.29Å; A9-A188 WeakPolarHBondContact O-CA 3.32Å; A9-V189 HydrophobicContact CB-CG2 3.8Å; A9-V189 PolarHBondContact N-O 2.98Å; A9-V189 PolarHBondContact O-N 2.83Å; A9-I281 HydrophobicContact CB-CB 4.12Å; A9-I281 HydrophobicContact CB-CD1 4.05Å; A9-I281 WeakPolarHBondContact O-CD1 3.38Å; A9-A301 CarbonylContact C-O 3.49Å; A9-A301 VanDerWaalsContact CA-O 3.28Å; A9-A301 WeakPolarHBondContact CA-O 3.35Å
10V98.8Very high79.3Confident0 Ų051.9 Ų51.90%027%0.269CS..EExtended strand (participates in β ladder)trans-134.7151.1175.6-58.50000109.8I8 L34 L38 L62 G187 A188 H300 A301I8-V10 HydrophobicContact CD1-CG1 4.49Å; I8-V10 HydrophobicContact CG1-CG1 4.43Å; V10-L34 HydrophobicContact CG2-CD2 4.34Å; V10-L38 HydrophobicContact CG1-CB 4.39Å; V10-L38 HydrophobicContact CG2-CB 4.02Å; V10-L62 HydrophobicContact CB-CD1 4.45Å; V10-G187 CarbonylContact C-O 3.5Å; V10-G187 VanDerWaalsContact CA-O 3.28Å; V10-G187 WeakPolarHBondContact CA-O 3.21Å; V10-A188 HydrophobicContact CG1-CB 3.92Å; V10-H300 VanDerWaalsContact O-CA 3.24Å; V10-H300 WeakPolarHBondContact O-CA 3.29Å; V10-H300 WeakPolarHBondContact O-CB 3.35Å; V10-A301 HydrophobicContact CG2-CB 3.89Å; V10-A301 PolarHBondContact N-O 3.38Å; V10-A301 PolarHBondContact O-N 3Å
11H98.4Very high79.3Confident0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-130.6143.9167.670.785.9000111.7T185 V186 G187 S233 I281 F299 H300H11-T185 PolarHBondContact CE1-O 2.7Å; H11-T185 PolarHBondContact ND1-O 2.7Å; H11-V186 CarbonylContact O-C 3.5Å; H11-V186 VanDerWaalsContact O-CA 3.22Å; H11-V186 WeakPolarHBondContact O-CA 3.44Å; H11-V186 WeakPolarHBondContact O-CB 3.44Å; H11-G187 PolarHBondContact CE1-N 3.23Å; H11-G187 PolarHBondContact N-O 2.73Å; H11-G187 WeakPolarHBondContact NE2-CA 3.39Å; H11-G187 PolarHBondContact NE2-N 3.31Å; H11-G187 PolarHBondContact O-N 2.83Å; H11-S233 PolarHBondContact NE2-OG 2.89Å; H11-I281 HydrophobicContact CB-CG2 3.96Å; H11-F299 CarbonylContact C-O 3.47Å; H11-F299 WeakPolarHBondContact CA-O 3.19Å; H11-F299 WeakPolarHBondContact CB-O 3.04Å; H11-H300 HydrophobicContact CB-CB 4.34Å
12G96.7Very high81.7Confident0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-99.74171.600000113.3F68 S182 F299G12-F68 WeakPolarHBondContact O-CD1 3.33Å; G12-S182 WeakPolarHBondContact O-CB 3.31Å; G12-S182 PolarHBondContact O-OG 3.42Å; G12-F299 PolarHBondContact N-O 3.41Å
13G91.5Very high84Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans116.2147.917200000115.3T185 T235 M298 F299G13-T185 WeakPolarHBondContact CA-O 3.45Å; G13-T185 PolarHBondContact N-O 3.29Å; G13-T235 WeakPolarHBondContact CA-OG1 3.47Å; G13-M298 WeakPolarHBondContact O-CA 2.79Å; G13-F299 WeakPolarHBondContact O-CD2 3.24Å; G13-F299 PolarHBondContact O-N 2.99Å
14A84.3Confident85.8Confident3 Ų338.3 Ų38.33%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-99.6147.9171.300000110.3T235 T295 M298A14-T235 HydrophobicContact CB-CG2 3.66Å; A14-T235 PolarHBondContact N-OG1 3.39Å; A14-T295 HydrophobicContact CB-CG2 4.22Å; A14-M298 HydrophobicContact CB-CB 4.06Å; A14-M298 HydrophobicContact CB-CG 3.97Å; A14-M298 HydrophobicContact CB-SD 4.36Å
15G72.8Confident86.9Confident4 Ų440.5 Ų40.54%0.04122%0.217CC..EExtended strand (participates in β ladder)trans179-179.5177.300000114.3I17 T295 G297G15-I17 PolarHBondContact O-N 2.98Å; G15-I17 VanDerWaalsContact O-N 3.09Å; G15-T295 WeakPolarHBondContact O-CB 3.38Å; G15-G297 PolarHBondContact N-O 2.94Å
16I64.7Low87.1Confident107 Ų10739 Ų3955%0.54921%0.212SC..  trans-74.199.2170.5-51.3175.6000107H277I16-H277 VanDerWaalsContact CG1-CE1 3.48Å; I16-H277 WeakPolarHBondContact CG1-CE1 3.27Å
17I73.1Confident87Confident2 Ų240.2 Ų40.21%0.0122%0.217CC..  trans-130.1113.3175.1-49.1173.3000105.2G15 V22 F299 W314G15-I17 PolarHBondContact O-N 2.98Å; G15-I17 VanDerWaalsContact O-N 3.09Å; I17-V22 HydrophobicContact CG2-CG2 3.55Å; I17-F299 HydrophobicContact CD1-CD2 3.98Å; I17-F299 HydrophobicContact CD1-CE2 3.09Å; I17-F299 HydrophobicContact CD1-CZ 3.55Å; I17-W314 HydrophobicContact CB-CH2 4.29Å; I17-W314 HydrophobicContact CB-CZ3 4.11Å; I17-W314 HydrophobicContact CG2-CH2 3.6Å; I17-W314 HydrophobicContact CG2-CZ3 3.94Å; I17-W314 WeakPolarHBondContact O-CZ3 3.43Å
18C72Confident86.9Confident49 Ų4945.5 Ų45.533%0.33125%0.245SC..  trans-78.5125.6171.8-58.30000107.4E20 D21C18-E20 PolarHBondContact O-N 3.37Å; C18-D21 HydrophobicContact CB-CB 4.14Å; C18-D21 WeakPolarHBondContact CB-OD2 3.24Å; C18-D21 WeakPolarHBondContact O-CB 3.37Å; C18-D21 PolarHBondContact O-N 3.28Å
19R79.8Confident86.8Confident122 Ų12250.3 Ų50.346%0.4627%0.267SS..G310 helixtrans-56.5-35.1178.9-179.5172.4-172.2168.48.4111.7D21 V22 W314 E317R19-D21 PolarHBondContact O-N 3.06Å; R19-V22 PolarHBondContact O-N 3.08Å; R19-W314 HydrophobicContact CB-CD2 3.95Å; R19-W314 HydrophobicContact CB-CE3 3.91Å; R19-W314 HydrophobicContact CB-CH2 3.91Å; R19-W314 HydrophobicContact CB-CZ2 3.94Å; R19-W314 HydrophobicContact CB-CZ3 3.9Å; R19-W314 HydrophobicContact CG-CD2 3.91Å; R19-W314 HydrophobicContact CG-CE3 4.39Å; R19-W314 HydrophobicContact CG-CG 4.35Å; R19-W314 HydrophobicContact CG-CH2 4.32Å; R19-W314 HydrophobicContact CG-CZ2 3.81Å; R19-E317 IonicContact NH2-OE1 3.33Å
20E80.4Confident86.6Confident160 Ų16050.6 Ų50.675%0.74827%0.268SS*.G310 helixtrans-66.4-22.9179.7-58.971-151.400112.6C18C18-E20 PolarHBondContact O-N 3.37Å
21D77.7Confident86.5Confident50 Ų5052.7 Ų52.727%0.26728%0.276SS..G310 helixtrans-92.6-6.3-178.1-67.5-22.2000113.1C18 R19 P23 H178 C180C18-D21 HydrophobicContact CB-CB 4.14Å; C18-D21 WeakPolarHBondContact CB-OD2 3.24Å; C18-D21 WeakPolarHBondContact O-CB 3.37Å; C18-D21 PolarHBondContact O-N 3.28Å; R19-D21 PolarHBondContact O-N 3.06Å; D21-P23 WeakPolarHBondContact O-CD 3.29Å; D21-H178 IonicContact OD1-CD2 2.78Å; D21-H178 PolarHBondContact OD1-CD2 3.13Å; D21-H178 IonicContact OD2-CD2 3.81Å; D21-H178 PolarHBondContact OD2-CD2 3.28Å; D21-H178 IonicContact OD2-CG 3.92Å; D21-C180 PolarHBondContact O-SG 3.33Å
22V82.9Confident86.5Confident12 Ų1256.7 Ų56.77%0.07330%0.295CS..SBendtrans-97.3109.9178.3-175.30000109.3I17 R19 L26 E27 W314I17-V22 HydrophobicContact CG2-CG2 3.55Å; R19-V22 PolarHBondContact O-N 3.08Å; V22-L26 HydrophobicContact CG1-CB 4.43Å; V22-L26 HydrophobicContact CG1-CD2 4.47Å; V22-L26 HydrophobicContact CG1-CG 4.5Å; V22-E27 HydrophobicContact CG1-CB 4Å; V22-W314 HydrophobicContact CB-CH2 4.45Å; V22-W314 HydrophobicContact CB-CZ2 4.27Å; V22-W314 HydrophobicContact CG2-CH2 3.8Å; V22-W314 HydrophobicContact CG2-CZ2 4.1Å
23P89.4Confident86.6Confident75 Ų7560.1 Ų60.149%0.48731%0.311SS..  trans-56.1142.4173.8-24.434.6000111.2D21 D25 L26 E27D21-P23 WeakPolarHBondContact O-CD 3.29Å; P23-D25 VanDerWaalsContact C-N 3.27Å; P23-D25 PolarHBondContact O-N 2.89Å; P23-L26 HydrophobicContact CB-CB 4.3Å; P23-L26 WeakPolarHBondContact O-CA 3.42Å; P23-L26 WeakPolarHBondContact O-CB 3.38Å; P23-L26 PolarHBondContact O-N 3.5Å; P23-E27 PolarHBondContact O-N 2.83Å
24A91.4Very high86.9Confident72 Ų7260.1 Ų60.160%0.59531%0.311SS*.Hα-helixtrans-55.5-41-176.700000113L26 E27 I28A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 2.85Å; A24-E27 PolarHBondContact O-N 3.37Å; A24-I28 WeakPolarHBondContact O-CG1 3.27Å; A24-I28 PolarHBondContact O-N 3.01Å
25D93.9Very high87.6Confident121 Ų12164.3 Ų64.365%0.64733%0.326SS*.Hα-helixtrans-62.5-40.6177.3-63.3-24.1000111.6P23 I28 E29P23-D25 VanDerWaalsContact C-N 3.27Å; P23-D25 PolarHBondContact O-N 2.89Å; D25-I28 WeakPolarHBondContact O-CB 3.22Å; D25-I28 PolarHBondContact O-N 3.43Å; D25-E29 PolarHBondContact O-N 2.83Å
26L91.6Very high88.8Confident36 Ų3667.3 Ų67.319%0.18834%0.341CS..Hα-helixtrans-69-36.9176.7-174.563.9000111.6V22 P23 A24 I28 E29 Y30 L67 C180V22-L26 HydrophobicContact CG1-CB 4.43Å; V22-L26 HydrophobicContact CG1-CD2 4.47Å; V22-L26 HydrophobicContact CG1-CG 4.5Å; P23-L26 HydrophobicContact CB-CB 4.3Å; P23-L26 WeakPolarHBondContact O-CA 3.42Å; P23-L26 WeakPolarHBondContact O-CB 3.38Å; P23-L26 PolarHBondContact O-N 3.5Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 2.85Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 3Å; L26-E29 PolarHBondContact O-N 3.4Å; L26-Y30 HydrophobicContact CD1-CD2 4.37Å; L26-Y30 HydrophobicContact CD1-CE2 4.02Å; L26-Y30 HydrophobicContact CD2-CE2 3.94Å; L26-Y30 HydrophobicContact CG-CD2 3.93Å; L26-Y30 HydrophobicContact CG-CE2 3.64Å; L26-Y30 WeakPolarHBondContact O-CD2 3.3Å; L26-Y30 PolarHBondContact O-N 3.48Å; L26-L67 HydrophobicContact CD1-CD1 4.45Å; L26-L67 HydrophobicContact CD1-CD2 3.87Å; L26-C180 WeakPolarHBondContact CD2-SG 3.43Å
27E93Very high90.4Very high31 Ų3162.3 Ų62.315%0.14532%0.316CS..Hα-helixtrans-61.3-40.8172.8-164.7-174.1126.600111.3V22 P23 A24 Y30 R31 I313 W314V22-E27 HydrophobicContact CG1-CB 4Å; P23-E27 PolarHBondContact O-N 2.83Å; A24-E27 PolarHBondContact O-N 3.37Å; E27-Y30 PolarHBondContact O-N 2.8Å; E27-R31 WeakPolarHBondContact O-CG 3.38Å; E27-R31 PolarHBondContact O-N 2.67Å; E27-R31 IonicContact OE1-CZ 3.13Å; E27-R31 VanDerWaalsContact OE1-CZ 3.28Å; E27-R31 IonicContact OE1-NE 3.46Å; E27-R31 PolarHBondContact OE1-NE 2.95Å; E27-R31 IonicContact OE1-NH2 3.93Å; E27-R31 PolarHBondContact OE1-NH2 3.43Å; E27-I313 HydrophobicContact CG-CD1 3.73Å; E27-W314 PolarHBondContact OE2-NE1 3.4Å
28I95.8Very high91.6Very high111 Ų11162.2 Ų62.257%0.56932%0.315SS*.Hα-helixtrans-60.5-45.8174.7-68.3166000110.4A24 D25 L26 R31 Q32A24-I28 WeakPolarHBondContact O-CG1 3.27Å; A24-I28 PolarHBondContact O-N 3.01Å; D25-I28 WeakPolarHBondContact O-CB 3.22Å; D25-I28 PolarHBondContact O-N 3.43Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 3Å; I28-R31 PolarHBondContact O-N 3.41Å; I28-Q32 WeakPolarHBondContact O-CB 3.4Å; I28-Q32 PolarHBondContact O-N 2.99Å
29E96Very high92.9Very high101 Ų10162.2 Ų62.247%0.47231%0.314SS..Hα-helixtrans-58.7-49.3175.9-70.7177.6-15200111.5D25 L26 R31 Q32 E33 L67D25-E29 PolarHBondContact O-N 2.83Å; L26-E29 PolarHBondContact O-N 3.4Å; E29-R31 VanDerWaalsContact C-N 3.31Å; E29-R31 PolarHBondContact O-N 3.37Å; E29-Q32 PolarHBondContact O-N 2.89Å; E29-Q32 VanDerWaalsContact O-N 3.13Å; E29-E33 VanDerWaalsContact O-CG 3.3Å; E29-E33 WeakPolarHBondContact O-CG 3.4Å; E29-E33 PolarHBondContact O-N 2.84Å; E29-L67 HydrophobicContact CB-CD1 4.03Å
30Y95.1Very high93.8Very high6 Ų657.6 Ų57.62%0.02430%0.301CS..Hα-helixtrans-55.5-45.1176-84.7-67.4000112.6L26 E27 Q32 L34 L67 F68 G181 S182 F299L26-Y30 HydrophobicContact CD1-CD2 4.37Å; L26-Y30 HydrophobicContact CD1-CE2 4.02Å; L26-Y30 HydrophobicContact CD2-CE2 3.94Å; L26-Y30 HydrophobicContact CG-CD2 3.93Å; L26-Y30 HydrophobicContact CG-CE2 3.64Å; L26-Y30 WeakPolarHBondContact O-CD2 3.3Å; L26-Y30 PolarHBondContact O-N 3.48Å; E27-Y30 PolarHBondContact O-N 2.8Å; Y30-Q32 VanDerWaalsContact C-N 3.33Å; Y30-L34 WeakPolarHBondContact O-CB 3.49Å; Y30-L34 VanDerWaalsContact O-CG 3.29Å; Y30-L34 WeakPolarHBondContact O-CG 3.36Å; Y30-L34 PolarHBondContact O-N 2.91Å; Y30-L67 HydrophobicContact CD1-CB 4.13Å; Y30-L67 HydrophobicContact CD1-CD1 4.19Å; Y30-L67 HydrophobicContact CE1-CB 3.57Å; Y30-L67 HydrophobicContact CE1-CD1 4.3Å; Y30-L67 HydrophobicContact CE1-CG 4.46Å; Y30-L67 HydrophobicContact CG-CD1 4.4Å; Y30-L67 PolarHBondContact OH-O 2.84Å; Y30-F68 HydrophobicContact CD1-CD1 4.31Å; Y30-F68 AromaticContact CD1-CE1 3.51Å; Y30-F68 HydrophobicContact CD1-CE1 3.51Å; Y30-F68 AromaticContact CD1-CZ 3.85Å; Y30-F68 HydrophobicContact CD1-CZ 3.85Å; Y30-F68 HydrophobicContact CE1-CD1 4.13Å; Y30-F68 AromaticContact CE1-CE1 3.79Å; Y30-F68 HydrophobicContact CE1-CE1 3.79Å; Y30-F68 HydrophobicContact CE1-CZ 4.41Å; Y30-G181 WeakPolarHBondContact OH-CA 3.32Å; Y30-S182 PolarHBondContact OH-N 2.87Å; Y30-F299 AromaticContact CD1-CD1 3.81Å; Y30-F299 HydrophobicContact CD1-CD1 3.81Å; Y30-F299 AromaticContact CD1-CE1 3.55Å; Y30-F299 HydrophobicContact CD1-CE1 3.55Å; Y30-F299 HydrophobicContact CD1-CE2 4.5Å; Y30-F299 HydrophobicContact CD1-CG 4.43Å; Y30-F299 AromaticContact CD1-CZ 3.93Å; Y30-F299 HydrophobicContact CD1-CZ 3.93Å; Y30-F299 AromaticContact CD2-CE1 3.73Å; Y30-F299 HydrophobicContact CD2-CE1 3.73Å; Y30-F299 HydrophobicContact CD2-CZ 4.09Å; Y30-F299 HydrophobicContact CE1-CD1 4.46Å; Y30-F299 AromaticContact CE1-CE1 3.98Å; Y30-F299 HydrophobicContact CE1-CE1 3.98Å; Y30-F299 HydrophobicContact CE1-CE2 4.23Å; Y30-F299 AromaticContact CE1-CZ 3.85Å; Y30-F299 HydrophobicContact CE1-CZ 3.85Å; Y30-F299 HydrophobicContact CE2-CE1 4.17Å; Y30-F299 HydrophobicContact CE2-CZ 4.05Å; Y30-F299 AromaticContact CG-CD1 3.93Å; Y30-F299 HydrophobicContact CG-CD1 3.93Å; Y30-F299 AromaticContact CG-CE1 3.42Å; Y30-F299 HydrophobicContact CG-CE1 3.42Å; Y30-F299 VanDerWaalsContact CG-CE1 3.42Å; Y30-F299 HydrophobicContact CG-CZ 4.06Å; Y30-F299 AromaticContact CZ-CZ 3.95Å
31R97.1Very high94.6Very high45 Ų4550 Ų5017%0.1727%0.266CS..Hα-helixtrans-67.1-35.9179.5-70.2-179.3-175.5-83.2-1.6112.1E27 I28 E29 R35 V311 I313 E317E27-R31 WeakPolarHBondContact O-CG 3.38Å; E27-R31 PolarHBondContact O-N 2.67Å; E27-R31 IonicContact OE1-CZ 3.13Å; E27-R31 VanDerWaalsContact OE1-CZ 3.28Å; E27-R31 IonicContact OE1-NE 3.46Å; E27-R31 PolarHBondContact OE1-NE 2.95Å; E27-R31 IonicContact OE1-NH2 3.93Å; E27-R31 PolarHBondContact OE1-NH2 3.43Å; I28-R31 PolarHBondContact O-N 3.41Å; E29-R31 VanDerWaalsContact C-N 3.31Å; E29-R31 PolarHBondContact O-N 3.37Å; R31-R35 WeakPolarHBondContact O-CB 3.43Å; R31-R35 PolarHBondContact O-N 3.08Å; R31-R35 VanDerWaalsContact O-N 3.12Å; R31-V311 HydrophobicContact CB-CG1 3.93Å; R31-V311 HydrophobicContact CG-CG1 3.95Å; R31-V311 PolarHBondContact NH1-O 3.4Å; R31-I313 HydrophobicContact CG-CD1 3.77Å; R31-I313 HydrophobicContact CG-CG1 4.45Å; R31-E317 IonicContact CZ-OE1 3.28Å; R31-E317 IonicContact CZ-OE2 2.79Å; R31-E317 IonicContact NH1-OE1 2.93Å; R31-E317 IonicContact NH1-OE2 3.21Å; R31-E317 PolarHBondContact NH1-OE2 2.73Å; R31-E317 VanDerWaalsContact NH2-CD 3.28Å; R31-E317 IonicContact NH2-OE1 2.72Å; R31-E317 PolarHBondContact NH2-OE1 2.83Å; R31-E317 IonicContact NH2-OE2 2.98Å; R31-E317 PolarHBondContact NH2-OE2 2.96Å
32Q98Very high95.6Very high84 Ų8449.9 Ų49.939%0.39326%0.263SS..Hα-helixtrans-68.2-47.8177.4-174.954.443.400111I28 E29 Y30 L34 R35 D36I28-Q32 WeakPolarHBondContact O-CB 3.4Å; I28-Q32 PolarHBondContact O-N 2.99Å; E29-Q32 PolarHBondContact O-N 2.89Å; E29-Q32 VanDerWaalsContact O-N 3.13Å; Y30-Q32 VanDerWaalsContact C-N 3.33Å; Q32-L34 PolarHBondContact O-N 3.25Å; Q32-R35 WeakPolarHBondContact O-CA 3.36Å; Q32-R35 WeakPolarHBondContact O-CB 3.46Å; Q32-R35 PolarHBondContact O-N 2.92Å; Q32-D36 PolarHBondContact NE2-OD1 2.75Å; Q32-D36 PolarHBondContact NE2-OD2 3.19Å; Q32-D36 PolarHBondContact O-N 3.4Å
33E98Very high96.2Very high71 Ų7153.9 Ų53.933%0.33228%0.284SS..Hα-helixtrans-62.6-39.2178.8-66.3-70.8158.800112.4E29 D36 A37 C65 L67 F68E29-E33 VanDerWaalsContact O-CG 3.3Å; E29-E33 WeakPolarHBondContact O-CG 3.4Å; E29-E33 PolarHBondContact O-N 2.84Å; E33-D36 PolarHBondContact O-N 2.8Å; E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.13Å; E33-C65 VanDerWaalsContact CD-SG 3.6Å; E33-C65 PolarHBondContact OE2-SG 3.32Å; E33-C65 VanDerWaalsContact OE2-SG 3.36Å; E33-L67 HydrophobicContact CG-CD1 4.26Å; E33-F68 HydrophobicContact CB-CE2 3.88Å; E33-F68 HydrophobicContact CB-CZ 4.28Å
34L98.2Very high96.6Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-61.1-43.4171.5-75.4169.3000112.1V10 Y30 Q32 L38 F68 F299 A301 V311V10-L34 HydrophobicContact CG2-CD2 4.34Å; Y30-L34 WeakPolarHBondContact O-CB 3.49Å; Y30-L34 VanDerWaalsContact O-CG 3.29Å; Y30-L34 WeakPolarHBondContact O-CG 3.36Å; Y30-L34 PolarHBondContact O-N 2.91Å; Q32-L34 PolarHBondContact O-N 3.25Å; L34-L38 WeakPolarHBondContact O-CB 3.14Å; L34-L38 PolarHBondContact O-N 2.96Å; L34-F68 HydrophobicContact CD2-CZ 4.16Å; L34-F68 HydrophobicContact CG-CZ 4.09Å; L34-F299 HydrophobicContact CD1-CB 3.97Å; L34-F299 HydrophobicContact CD2-CB 4.23Å; L34-A301 HydrophobicContact CB-CB 4.18Å; L34-V311 HydrophobicContact CB-CG1 4.07Å; L34-V311 HydrophobicContact CD1-CG1 3.83Å
35R98.5Very high96.9Very high91 Ų9147.8 Ų47.834%0.34324%0.239SC..Hα-helixtrans-64.9-41.8178.2177.6175.2-74.7104.8-1.1111.1R31 Q32 L38 T39 V311R31-R35 WeakPolarHBondContact O-CB 3.43Å; R31-R35 PolarHBondContact O-N 3.08Å; R31-R35 VanDerWaalsContact O-N 3.12Å; Q32-R35 WeakPolarHBondContact O-CA 3.36Å; Q32-R35 WeakPolarHBondContact O-CB 3.46Å; Q32-R35 PolarHBondContact O-N 2.92Å; R35-L38 PolarHBondContact O-N 2.97Å; R35-T39 VanDerWaalsContact O-CB 3.26Å; R35-T39 WeakPolarHBondContact O-CB 3.48Å; R35-T39 PolarHBondContact O-N 3.04Å; R35-T39 PolarHBondContact O-OG1 3.34Å; R35-V311 HydrophobicContact CB-CG2 4.25Å
36D98.5Very high96.9Very high68 Ų6846.6 Ų46.636%0.36423%0.231SC..Hα-helixtrans-67.9-43.6-179.5-69.2-24.7000111.4Q32 E33 L38 T39 A40Q32-D36 PolarHBondContact NE2-OD1 2.75Å; Q32-D36 PolarHBondContact NE2-OD2 3.19Å; Q32-D36 PolarHBondContact O-N 3.4Å; E33-D36 PolarHBondContact O-N 2.8Å; D36-L38 PolarHBondContact O-N 3.39Å; D36-T39 PolarHBondContact O-N 2.96Å; D36-A40 WeakPolarHBondContact O-CB 3.26Å; D36-A40 PolarHBondContact O-N 3.33Å
37A98.6Very high97.1Very high1 Ų148.6 Ų48.61%0.00825%0.253CS..Hα-helixtrans-59.1-45.3173.200000112.2E33 G41 S58 L61 L62E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.13Å; A37-G41 PolarHBondContact O-N 3.46Å; A37-S58 WeakPolarHBondContact O-CA 3.43Å; A37-S58 VanDerWaalsContact O-CB 3.3Å; A37-S58 WeakPolarHBondContact O-CB 3.32Å; A37-S58 PolarHBondContact O-OG 3.44Å; A37-L61 HydrophobicContact CB-CB 4.21Å; A37-L62 HydrophobicContact CB-CD1 4.28Å; A37-L62 HydrophobicContact CB-CD2 3.64Å; A37-L62 HydrophobicContact CB-CG 3.7Å
38L98.6Very high97.1Very high1 Ų148.7 Ų48.71%0.00526%0.263CS..Hα-helixtrans-63.1-45.4175.6-178.4146.8000111.8I8 V10 L34 R35 D36 A40 G41 F42 A301 Y302 L303 V309I8-L38 HydrophobicContact CG2-CD1 4.24Å; I8-L38 HydrophobicContact CG2-CD2 4.11Å; I8-L38 HydrophobicContact CG2-CG 3.86Å; V10-L38 HydrophobicContact CG1-CB 4.39Å; V10-L38 HydrophobicContact CG2-CB 4.02Å; L34-L38 WeakPolarHBondContact O-CB 3.14Å; L34-L38 PolarHBondContact O-N 2.96Å; R35-L38 PolarHBondContact O-N 2.97Å; D36-L38 PolarHBondContact O-N 3.39Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 PolarHBondContact O-N 3.11Å; L38-G41 PolarHBondContact O-N 3.41Å; L38-F42 WeakPolarHBondContact O-CB 3.42Å; L38-F42 PolarHBondContact O-N 3.18Å; L38-A301 HydrophobicContact CB-CB 4.41Å; L38-A301 VanDerWaalsContact CD1-C 3.47Å; L38-A301 HydrophobicContact CD1-CB 3.73Å; L38-Y302 VanDerWaalsContact CD1-CA 3.4Å; L38-L303 HydrophobicContact CD1-CB 4.39Å; L38-L303 HydrophobicContact CD2-CB 4.07Å; L38-L303 HydrophobicContact CD2-CD2 4.44Å; L38-V309 HydrophobicContact CD1-CG1 4.43Å; L38-V309 HydrophobicContact CD2-CG1 4.03Å; L38-V309 HydrophobicContact CD2-CG2 3.87Å
39T98.1Very high97.1Very high48 Ų4847 Ų4729%0.29426%0.255SS..Hα-helixtrans-64.4-39.1-177.1-59.80000111.3R35 D36 F42 N43R35-T39 VanDerWaalsContact O-CB 3.26Å; R35-T39 WeakPolarHBondContact O-CB 3.48Å; R35-T39 PolarHBondContact O-N 3.04Å; R35-T39 PolarHBondContact O-OG1 3.34Å; D36-T39 PolarHBondContact O-N 2.96Å; T39-F42 PolarHBondContact O-N 2.78Å; T39-N43 WeakPolarHBondContact O-CB 3.35Å; T39-N43 PolarHBondContact O-N 3.47Å; T39-N43 PolarHBondContact O-ND2 2.93Å
40A98.2Very high97.1Very high25 Ų2545.2 Ų45.221%0.20725%0.253CS..Hα-helixtrans-61.2-48.117600000112.3D36 L38 F42 N43 C44 L61D36-A40 WeakPolarHBondContact O-CB 3.26Å; D36-A40 PolarHBondContact O-N 3.33Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 PolarHBondContact O-N 3.11Å; A40-F42 PolarHBondContact O-N 3.22Å; A40-N43 PolarHBondContact O-N 2.86Å; A40-C44 PolarHBondContact O-N 2.96Å; A40-L61 HydrophobicContact CB-CD2 3.27Å
41G98.3Very high97.2Very high0 Ų045 Ų450%025%0.253CS..Hα-helixtrans-63.4-41.917600000112.1A37 L38 N43 C44 L45 A54 S58A37-G41 PolarHBondContact O-N 3.46Å; L38-G41 PolarHBondContact O-N 3.41Å; G41-N43 VanDerWaalsContact C-N 3.35Å; G41-N43 PolarHBondContact O-N 3.3Å; G41-C44 WeakPolarHBondContact O-CB 3.32Å; G41-C44 PolarHBondContact O-N 3.45Å; G41-L45 WeakPolarHBondContact O-CG 3.31Å; G41-L45 PolarHBondContact O-N 3.06Å; G41-L45 VanDerWaalsContact O-N 3.15Å; G41-A54 VanDerWaalsContact CA-O 3.32Å; G41-A54 WeakPolarHBondContact CA-O 3.28Å; G41-A54 VanDerWaalsContact O-CB 3.29Å; G41-A54 WeakPolarHBondContact O-CB 3.35Å; G41-S58 WeakPolarHBondContact CA-OG 3.31Å; G41-S58 PolarHBondContact N-OG 3.34Å
42F97.6Very high97.3Very high49 Ų4943.5 Ų43.522%0.21525%0.248CC..Hα-helixtrans-61.2-41.9175.8-175.2-107.4000112.6V6 I8 L38 T39 A40 C44 L45 I46 L303V6-F42 HydrophobicContact CB-CE2 4.43Å; V6-F42 HydrophobicContact CG1-CD2 3.86Å; V6-F42 HydrophobicContact CG1-CE2 3.6Å; I8-F42 HydrophobicContact CG2-CB 4.26Å; I8-F42 HydrophobicContact CG2-CD2 4.33Å; L38-F42 WeakPolarHBondContact O-CB 3.42Å; L38-F42 PolarHBondContact O-N 3.18Å; T39-F42 PolarHBondContact O-N 2.78Å; A40-F42 PolarHBondContact O-N 3.22Å; F42-C44 VanDerWaalsContact C-N 3.3Å; F42-C44 PolarHBondContact O-N 3.47Å; F42-L45 WeakPolarHBondContact O-CB 3.41Å; F42-L45 PolarHBondContact O-N 3.04Å; F42-I46 HydrophobicContact CD1-CG1 3.97Å; F42-I46 HydrophobicContact CD2-CG1 4.48Å; F42-I46 HydrophobicContact CE1-CD1 4.06Å; F42-I46 HydrophobicContact CE1-CG1 3.54Å; F42-I46 HydrophobicContact CE2-CD1 4.02Å; F42-I46 HydrophobicContact CE2-CG1 4.11Å; F42-I46 HydrophobicContact CG-CG1 4.43Å; F42-I46 HydrophobicContact CZ-CD1 3.62Å; F42-I46 HydrophobicContact CZ-CG1 3.63Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 3.19Å; F42-L303 HydrophobicContact CD1-CD2 4.1Å; F42-L303 HydrophobicContact CD2-CD2 3.44Å; F42-L303 VanDerWaalsContact CD2-CD2 3.44Å; F42-L303 HydrophobicContact CE1-CD2 4.09Å; F42-L303 HydrophobicContact CE2-CD2 3.43Å; F42-L303 VanDerWaalsContact CE2-CD2 3.43Å; F42-L303 HydrophobicContact CE2-CG 4.37Å; F42-L303 HydrophobicContact CG-CD2 3.77Å; F42-L303 HydrophobicContact CZ-CD2 3.76Å
43N97Very high97.3Very high95 Ų9541.5 Ų41.551%0.50824%0.239SC..Hα-helixtrans-60-39.1176.8-74.2-21.1000112T39 A40 G41 I46 A47T39-N43 WeakPolarHBondContact O-CB 3.35Å; T39-N43 PolarHBondContact O-N 3.47Å; T39-N43 PolarHBondContact O-ND2 2.93Å; A40-N43 PolarHBondContact O-N 2.86Å; G41-N43 VanDerWaalsContact C-N 3.35Å; G41-N43 PolarHBondContact O-N 3.3Å; N43-I46 PolarHBondContact O-N 3.25Å; N43-A47 VanDerWaalsContact O-CB 3.29Å; N43-A47 WeakPolarHBondContact O-CB 3.31Å; N43-A47 PolarHBondContact O-N 3.24Å
44C97.3Very high97.3Very high18 Ų1838.1 Ų38.112%0.12222%0.223CC..Hα-helixtrans-59.7-46.1171.3-73.20000112A40 G41 F42 I46 A47 G48 D49 A54A40-C44 PolarHBondContact O-N 2.96Å; G41-C44 WeakPolarHBondContact O-CB 3.32Å; G41-C44 PolarHBondContact O-N 3.45Å; F42-C44 VanDerWaalsContact C-N 3.3Å; F42-C44 PolarHBondContact O-N 3.47Å; C44-I46 VanDerWaalsContact C-N 3.33Å; C44-I46 PolarHBondContact O-N 3.29Å; C44-A47 PolarHBondContact O-N 2.93Å; C44-G48 PolarHBondContact O-N 3.3Å; C44-G48 VanDerWaalsContact O-N 3.1Å; C44-D49 HydrophobicContact CB-CB 4.01Å; C44-D49 WeakPolarHBondContact O-CB 3.44Å; C44-D49 PolarHBondContact O-N 3.08Å; C44-A54 HydrophobicContact CB-CB 3.84Å
45L96.8Very high97.3Very high2 Ų238.1 Ų38.11%0.0122%0.223CC..Hα-helixtrans-61.1-41.6178.9-62.1170.4000112.1V6 I8 G41 F42 G48 C51 A54 T190 D192V6-L45 HydrophobicContact CG1-CB 3.57Å; V6-L45 HydrophobicContact CG1-CD1 3.66Å; V6-L45 HydrophobicContact CG1-CG 4.19Å; I8-L45 HydrophobicContact CB-CD1 4.31Å; G41-L45 WeakPolarHBondContact O-CG 3.31Å; G41-L45 PolarHBondContact O-N 3.06Å; G41-L45 VanDerWaalsContact O-N 3.15Å; F42-L45 WeakPolarHBondContact O-CB 3.41Å; F42-L45 PolarHBondContact O-N 3.04Å; L45-G48 PolarHBondContact O-N 3.41Å; L45-C51 HydrophobicContact CD2-CB 4.39Å; L45-A54 HydrophobicContact CD1-CB 4.31Å; L45-A54 HydrophobicContact CD2-CB 3.51Å; L45-A54 HydrophobicContact CG-CB 3.58Å; L45-T190 HydrophobicContact CD1-CG2 4.37Å; L45-D192 HydrophobicContact CD2-CB 3.93Å
46I94.7Very high97.4Very high95 Ų9533.8 Ų33.849%0.48721%0.206SC..Hα-helixtrans-71.4-37.2178.3-62.4-57.6000111.8V6 F42 N43 C44 G48V6-I46 HydrophobicContact CG1-CD1 4.43Å; F42-I46 HydrophobicContact CD1-CG1 3.97Å; F42-I46 HydrophobicContact CD2-CG1 4.48Å; F42-I46 HydrophobicContact CE1-CD1 4.06Å; F42-I46 HydrophobicContact CE1-CG1 3.54Å; F42-I46 HydrophobicContact CE2-CD1 4.02Å; F42-I46 HydrophobicContact CE2-CG1 4.11Å; F42-I46 HydrophobicContact CG-CG1 4.43Å; F42-I46 HydrophobicContact CZ-CD1 3.62Å; F42-I46 HydrophobicContact CZ-CG1 3.63Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 3.19Å; N43-I46 PolarHBondContact O-N 3.25Å; C44-I46 VanDerWaalsContact C-N 3.33Å; C44-I46 PolarHBondContact O-N 3.29Å; I46-G48 PolarHBondContact O-N 3.3Å
47A95Very high97.4Very high79 Ų7932.8 Ų32.865%0.65320%0.2SC*.Hα-helixtrans-64.4-18.217300000112.7N43 C44N43-A47 VanDerWaalsContact O-CB 3.29Å; N43-A47 WeakPolarHBondContact O-CB 3.31Å; N43-A47 PolarHBondContact O-N 3.24Å; C44-A47 PolarHBondContact O-N 2.93Å
48G94Very high97.4Very high33 Ų3332.7 Ų32.734%0.3420%0.199SC..THydrogen-bonded Turntrans9316179.100000113.9C44 L45 I46C44-G48 PolarHBondContact O-N 3.3Å; C44-G48 VanDerWaalsContact O-N 3.1Å; L45-G48 PolarHBondContact O-N 3.41Å; I46-G48 PolarHBondContact O-N 3.3Å
49D96.3Very high97.4Very high75 Ų7532.7 Ų32.740%0.40120%0.199SC..  trans-65.6166.1167.8-61.8-37.5000110.6C44 E53C44-D49 HydrophobicContact CB-CB 4.01Å; C44-D49 WeakPolarHBondContact O-CB 3.44Å; C44-D49 PolarHBondContact O-N 3.08Å; D49-E53 HydrophobicContact CB-CB 4.43Å; D49-E53 HydrophobicContact CB-CG 4.4Å
50S96Very high97.4Very high63 Ų6331.6 Ų31.644%0.44119%0.191SC..  trans-67.6151.4177.673.40000111.9L52 E53 A54S50-L52 PolarHBondContact O-N 2.93Å; S50-E53 PolarHBondContact O-N 3.31Å; S50-E53 PolarHBondContact OG-N 3.4Å; S50-E53 VanDerWaalsContact OG-N 3.09Å; S50-A54 PolarHBondContact O-N 3.34Å
51C97Very high97.4Very high3 Ų332.9 Ų32.92%0.0220%0.195CC..Hα-helixtrans-52.3-35.9168.950.10000112.9L45 A54 A55 T190 D192 H196 A198L45-C51 HydrophobicContact CD2-CB 4.39Å; C51-A54 PolarHBondContact O-N 3.04Å; C51-A55 PolarHBondContact O-N 2.82Å; C51-T190 WeakPolarHBondContact CB-OG1 3.38Å; C51-T190 PolarHBondContact O-OG1 2.72Å; C51-D192 HydrophobicContact CB-CB 3.97Å; C51-H196 VanDerWaalsContact SG-CB 3.56Å; C51-A198 HydrophobicContact CB-CB 4.14Å
52L98.4Very high97.4Very high13 Ų1333 Ų337%0.06820%0.195CC..Hα-helixtrans-64.3-49.9177.9-177.864.8000111.9S50 A54 A55 V56 L88 C90 L116 A198S50-L52 PolarHBondContact O-N 2.93Å; L52-A54 VanDerWaalsContact C-N 3.29Å; L52-A54 PolarHBondContact O-N 3.5Å; L52-A55 PolarHBondContact O-N 2.69Å; L52-V56 HydrophobicContact CD1-CG2 4.46Å; L52-V56 HydrophobicContact CG-CG2 4.48Å; L52-V56 VanDerWaalsContact O-CG2 3.3Å; L52-V56 WeakPolarHBondContact O-CG2 3.5Å; L52-V56 PolarHBondContact O-N 3.22Å; L52-L88 HydrophobicContact CD1-CB 4.23Å; L52-L88 HydrophobicContact CD1-CD1 4.02Å; L52-L88 HydrophobicContact CD1-CD2 4.15Å; L52-L88 HydrophobicContact CD1-CG 4.37Å; L52-C90 HydrophobicContact CD2-CB 4.49Å; L52-L116 HydrophobicContact CD2-CD2 3.48Å; L52-L116 VanDerWaalsContact CD2-CD2 3.48Å; L52-A198 HydrophobicContact CB-CB 4.17Å; L52-A198 HydrophobicContact CD1-CB 4.19Å
53E98.3Very high97.5Very high41 Ų4130.6 Ų30.619%0.19219%0.185CC..Hα-helixtrans-60.6-41.4177.3177.760.2-157.700110.8D49 S50 A55 V56 Q57 R110D49-E53 HydrophobicContact CB-CB 4.43Å; D49-E53 HydrophobicContact CB-CG 4.4Å; S50-E53 PolarHBondContact O-N 3.31Å; S50-E53 PolarHBondContact OG-N 3.4Å; S50-E53 VanDerWaalsContact OG-N 3.09Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 2.92Å; E53-V56 PolarHBondContact O-N 2.96Å; E53-Q57 HydrophobicContact CG-CG 4.29Å; E53-Q57 WeakPolarHBondContact O-CB 3.43Å; E53-Q57 VanDerWaalsContact O-CG 3.25Å; E53-Q57 WeakPolarHBondContact O-CG 3.26Å; E53-Q57 PolarHBondContact O-N 3.2Å; E53-Q57 VanDerWaalsContact OE1-CG 3.26Å; E53-Q57 WeakPolarHBondContact OE1-CG 3.5Å; E53-Q57 PolarHBondContact OE1-NE2 2.78Å; E53-R110 IonicContact OE1-CZ 2.7Å; E53-R110 IonicContact OE1-NH1 3.94Å; E53-R110 PolarHBondContact OE1-NH1 3.03Å; E53-R110 IonicContact OE1-NH2 3.72Å; E53-R110 PolarHBondContact OE1-NH2 2.7Å; E53-R110 IonicContact OE2-CZ 3.89Å; E53-R110 IonicContact OE2-NH1 3.52Å; E53-R110 PolarHBondContact OE2-NH1 3.46Å; E53-R110 IonicContact OE2-NH2 2.72Å
54A98.5Very high97.5Very high0 Ų028.8 Ų28.80%018%0.175CC..Hα-helixtrans-58.4-44.2175.400000112.8G41 C44 L45 S50 C51 L52 Q57 S58 T190G41-A54 VanDerWaalsContact CA-O 3.32Å; G41-A54 WeakPolarHBondContact CA-O 3.28Å; G41-A54 VanDerWaalsContact O-CB 3.29Å; G41-A54 WeakPolarHBondContact O-CB 3.35Å; C44-A54 HydrophobicContact CB-CB 3.84Å; L45-A54 HydrophobicContact CD1-CB 4.31Å; L45-A54 HydrophobicContact CD2-CB 3.51Å; L45-A54 HydrophobicContact CG-CB 3.58Å; S50-A54 PolarHBondContact O-N 3.34Å; C51-A54 PolarHBondContact O-N 3.04Å; L52-A54 VanDerWaalsContact C-N 3.29Å; L52-A54 PolarHBondContact O-N 3.5Å; A54-Q57 PolarHBondContact O-N 3.2Å; A54-S58 PolarHBondContact O-N 3.04Å; A54-S58 VanDerWaalsContact O-N 3.13Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-T190 HydrophobicContact CB-CG2 4.01Å
55A98.8Very high97.5Very high0 Ų028.1 Ų28.10%017%0.17CC..Hα-helixtrans-67.1-40.8177.400000111.6C51 L52 E53 Q57 S58 T59 A188 T190 A198 T200C51-A55 PolarHBondContact O-N 2.82Å; L52-A55 PolarHBondContact O-N 2.69Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 2.92Å; A55-Q57 PolarHBondContact O-N 2.86Å; A55-S58 PolarHBondContact O-N 2.84Å; A55-T59 PolarHBondContact O-N 3.14Å; A55-T59 PolarHBondContact O-OG1 3.1Å; A55-T59 VanDerWaalsContact O-OG1 3.13Å; A55-A188 HydrophobicContact CB-CB 4.23Å; A55-T190 HydrophobicContact CB-CG2 3.85Å; A55-A198 HydrophobicContact CB-CB 4.47Å; A55-T200 HydrophobicContact CB-CG2 3.55Å; A55-T200 PolarHBondContact O-OG1 3.37Å
56V98.8Very high97.5Very high0 Ų030.6 Ų30.60%019%0.186CC..Hα-helixtrans-60.6-43.9175.6170.10000110.7L52 E53 T59 L60 L88 I109 T200L52-V56 HydrophobicContact CD1-CG2 4.46Å; L52-V56 HydrophobicContact CG-CG2 4.48Å; L52-V56 VanDerWaalsContact O-CG2 3.3Å; L52-V56 WeakPolarHBondContact O-CG2 3.5Å; L52-V56 PolarHBondContact O-N 3.22Å; E53-V56 PolarHBondContact O-N 2.96Å; V56-T59 PolarHBondContact O-N 3.4Å; V56-L60 VanDerWaalsContact O-CB 3.26Å; V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 PolarHBondContact O-N 3.43Å; V56-L88 HydrophobicContact CG2-CD2 3.83Å; V56-I109 HydrophobicContact CG1-CG1 4.46Å; V56-I109 HydrophobicContact CG1-CG2 4.31Å; V56-I109 HydrophobicContact CG2-CG1 4.28Å; V56-T200 HydrophobicContact CG2-CG2 4.12Å
57Q98.7Very high97.5Very high47 Ų4727.5 Ų27.522%0.2217%0.171CC..Hα-helixtrans-64.7-42.8178.8-71.9-72-1.700112.7E53 A54 A55 L60 L61E53-Q57 HydrophobicContact CG-CG 4.29Å; E53-Q57 WeakPolarHBondContact O-CB 3.43Å; E53-Q57 VanDerWaalsContact O-CG 3.25Å; E53-Q57 WeakPolarHBondContact O-CG 3.26Å; E53-Q57 PolarHBondContact O-N 3.2Å; E53-Q57 VanDerWaalsContact OE1-CG 3.26Å; E53-Q57 WeakPolarHBondContact OE1-CG 3.5Å; E53-Q57 PolarHBondContact OE1-NE2 2.78Å; A54-Q57 PolarHBondContact O-N 3.2Å; A55-Q57 PolarHBondContact O-N 2.86Å; Q57-L60 WeakPolarHBondContact O-CB 3.31Å; Q57-L60 PolarHBondContact O-N 3.21Å; Q57-L61 PolarHBondContact O-N 3.32Å
58S98.8Very high97.5Very high0 Ų023.8 Ų23.80%014%0.14CC..Hα-helixtrans-60.6-46.6173.2-69.70000112I8 A37 G41 A54 A55 L60 L61 L62I8-S58 WeakPolarHBondContact CD1-OG 3.34Å; A37-S58 WeakPolarHBondContact O-CA 3.43Å; A37-S58 VanDerWaalsContact O-CB 3.3Å; A37-S58 WeakPolarHBondContact O-CB 3.32Å; A37-S58 PolarHBondContact O-OG 3.44Å; G41-S58 WeakPolarHBondContact CA-OG 3.31Å; G41-S58 PolarHBondContact N-OG 3.34Å; A54-S58 PolarHBondContact O-N 3.04Å; A54-S58 VanDerWaalsContact O-N 3.13Å; A54-S58 PolarHBondContact O-OG 3.26Å; A55-S58 PolarHBondContact O-N 2.84Å; S58-L60 PolarHBondContact O-N 2.94Å; S58-L61 PolarHBondContact O-N 3.22Å; S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 2.81Å
59T98.8Very high97.6Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-65.6-37.1178.2-600000112.4A55 V56 L61 L62 E63 I109 V186 T200A55-T59 PolarHBondContact O-N 3.14Å; A55-T59 PolarHBondContact O-OG1 3.1Å; A55-T59 VanDerWaalsContact O-OG1 3.13Å; V56-T59 PolarHBondContact O-N 3.4Å; T59-L61 VanDerWaalsContact C-N 3.32Å; T59-L61 PolarHBondContact O-N 2.85Å; T59-L62 PolarHBondContact O-N 3.1Å; T59-E63 HydrophobicContact CG2-CG 4.41Å; T59-E63 WeakPolarHBondContact O-CG 3.02Å; T59-E63 PolarHBondContact O-N 2.93Å; T59-I109 HydrophobicContact CG2-CB 3.86Å; T59-I109 HydrophobicContact CG2-CD1 4.21Å; T59-I109 HydrophobicContact CG2-CG1 3.83Å; T59-I109 HydrophobicContact CG2-CG2 4.11Å; T59-V186 HydrophobicContact CG2-CG2 4.22Å; T59-T200 WeakPolarHBondContact OG1-CB 3.5Å; T59-T200 PolarHBondContact OG1-OG1 2.67Å
60L98.5Very high97.6Very high25 Ų2518.6 Ų18.613%0.13110%0.104CC..Hα-helixtrans-58.8-42.7177.5-174.378.9000111.9V56 Q57 S58 E63 N64 N107 I109 R110V56-L60 VanDerWaalsContact O-CB 3.26Å; V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 PolarHBondContact O-N 3.43Å; Q57-L60 WeakPolarHBondContact O-CB 3.31Å; Q57-L60 PolarHBondContact O-N 3.21Å; S58-L60 PolarHBondContact O-N 2.94Å; L60-E63 PolarHBondContact O-N 2.87Å; L60-N64 VanDerWaalsContact O-CG 3.28Å; L60-N64 PolarHBondContact O-N 2.78Å; L60-N64 PolarHBondContact O-ND2 3.43Å; L60-N64 VanDerWaalsContact O-ND2 3.1Å; L60-N107 HydrophobicContact CD1-CB 3.59Å; L60-N107 WeakPolarHBondContact CD1-ND2 3.45Å; L60-I109 HydrophobicContact CD1-CG2 4.46Å; L60-R110 HydrophobicContact CD1-CG 3.94Å
61L98.5Very high97.7Very high53 Ų5315.6 Ų15.628%0.2778%0.083SC..Hα-helixtrans-65.6-41.6177-92.148.1000111.4A37 A40 Q57 S58 T59 E63 N64 C65A37-L61 HydrophobicContact CB-CB 4.21Å; A40-L61 HydrophobicContact CB-CD2 3.27Å; Q57-L61 PolarHBondContact O-N 3.32Å; S58-L61 PolarHBondContact O-N 3.22Å; T59-L61 VanDerWaalsContact C-N 3.32Å; T59-L61 PolarHBondContact O-N 2.85Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.34Å; L61-N64 PolarHBondContact O-N 2.85Å; L61-C65 WeakPolarHBondContact O-CB 3.23Å; L61-C65 PolarHBondContact O-N 3.41Å; L61-C65 VanDerWaalsContact O-N 3.15Å
62L98.5Very high97.7Very high1 Ų119 Ų191%0.00510%0.098CC..Hα-helixtrans-64.8-36.8175-61.7171.6000112.1V10 A37 S58 T59 N64 C65 F68 V186V10-L62 HydrophobicContact CB-CD1 4.45Å; A37-L62 HydrophobicContact CB-CD1 4.28Å; A37-L62 HydrophobicContact CB-CD2 3.64Å; A37-L62 HydrophobicContact CB-CG 3.7Å; S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 2.81Å; T59-L62 PolarHBondContact O-N 3.1Å; L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 2.99Å; L62-C65 PolarHBondContact O-N 3.4Å; L62-F68 HydrophobicContact CB-CD2 4.34Å; L62-F68 HydrophobicContact CD2-CD2 3.56Å; L62-F68 HydrophobicContact CD2-CE2 3.38Å; L62-F68 HydrophobicContact CD2-CG 4.43Å; L62-F68 HydrophobicContact CD2-CZ 4.13Å; L62-V186 HydrophobicContact CB-CB 3.95Å; L62-V186 HydrophobicContact CB-CG1 4.1Å; L62-V186 HydrophobicContact CB-CG2 3.85Å; L62-V186 HydrophobicContact CD1-CB 3.94Å; L62-V186 HydrophobicContact CD1-CG2 4.4Å
63E98.5Very high97.6Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-66.9-28.5173-76.5-177.816400113.4T59 L60 L61 C65 A70 G71 K72 N107 P108 I109 S202T59-E63 HydrophobicContact CG2-CG 4.41Å; T59-E63 WeakPolarHBondContact O-CG 3.02Å; T59-E63 PolarHBondContact O-N 2.93Å; L60-E63 PolarHBondContact O-N 2.87Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.34Å; E63-C65 VanDerWaalsContact C-N 3.33Å; E63-A70 WeakPolarHBondContact CA-O 3.19Å; E63-A70 HydrophobicContact CG-CB 4.08Å; E63-G71 CarbonylContact O-C 3.46Å; E63-G71 WeakPolarHBondContact O-CA 3.49Å; E63-K72 PolarHBondContact O-N 2.95Å; E63-N107 WeakPolarHBondContact OE2-CA 3.31Å; E63-N107 VanDerWaalsContact OE2-CB 3.23Å; E63-N107 WeakPolarHBondContact OE2-CB 3.39Å; E63-N107 PolarHBondContact OE2-ND2 2.96Å; E63-P108 WeakPolarHBondContact OE1-CD 3.49Å; E63-I109 WeakPolarHBondContact OE1-CB 3.36Å; E63-I109 PolarHBondContact OE1-N 3.06Å; E63-I109 WeakPolarHBondContact OE2-CG2 3.24Å; E63-S202 VanDerWaalsContact OE1-CB 3.31Å; E63-S202 WeakPolarHBondContact OE1-CB 3.48Å; E63-S202 PolarHBondContact OE1-OG 2.78Å
64N98.2Very high97.5Very high56 Ų5616.4 Ų16.430%0.2999%0.085SC..Hα-helixtrans-86-10.8178.6-70.6-34000112.5L60 L61 L62 N107 Y145L60-N64 VanDerWaalsContact O-CG 3.28Å; L60-N64 PolarHBondContact O-N 2.78Å; L60-N64 PolarHBondContact O-ND2 3.43Å; L60-N64 VanDerWaalsContact O-ND2 3.1Å; L61-N64 PolarHBondContact O-N 2.85Å; L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 2.99Å; N64-N107 PolarHBondContact OD1-ND2 3.46Å; N64-Y145 PolarHBondContact OD1-OH 3.11Å
65C97.1Very high97.4Very high4 Ų416.4 Ų16.43%0.0279%0.085CC..  trans-91.8115.6-176.9-177.60000111.2E33 L61 L62 E63 L67 F68 K72E33-C65 VanDerWaalsContact CD-SG 3.6Å; E33-C65 PolarHBondContact OE2-SG 3.32Å; E33-C65 VanDerWaalsContact OE2-SG 3.36Å; L61-C65 WeakPolarHBondContact O-CB 3.23Å; L61-C65 PolarHBondContact O-N 3.41Å; L61-C65 VanDerWaalsContact O-N 3.15Å; L62-C65 PolarHBondContact O-N 3.4Å; E63-C65 VanDerWaalsContact C-N 3.33Å; C65-L67 PolarHBondContact O-N 2.8Å; C65-F68 HydrophobicContact CB-CD2 3.89Å; C65-F68 HydrophobicContact CB-CE2 4.33Å; C65-F68 PolarHBondContact O-N 3.33Å; C65-K72 CarbonylContact C-O 3.57Å; C65-K72 VanDerWaalsContact O-O 3.05Å
66P95.9Very high97.2Very high54 Ų5416.8 Ų16.835%0.3519%0.087SC..THydrogen-bonded Turntrans-65-10-175.528.6-35.9000114.9K72 T148P66-K72 WeakPolarHBondContact CA-O 3.32Å; P66-K72 HydrophobicContact CB-CD 4.27Å; P66-K72 HydrophobicContact CB-CG 4.15Å; P66-T148 HydrophobicContact CB-CG2 3.99Å
67L94.2Very high97Very high31 Ų3116.8 Ų16.816%0.1629%0.087CC..THydrogen-bonded Turntrans-77.3-26.5-179.9-60.8-174.9000112.7L26 E29 Y30 E33 C65 R151L26-L67 HydrophobicContact CD1-CD1 4.45Å; L26-L67 HydrophobicContact CD1-CD2 3.87Å; E29-L67 HydrophobicContact CB-CD1 4.03Å; Y30-L67 HydrophobicContact CD1-CB 4.13Å; Y30-L67 HydrophobicContact CD1-CD1 4.19Å; Y30-L67 HydrophobicContact CE1-CB 3.57Å; Y30-L67 HydrophobicContact CE1-CD1 4.3Å; Y30-L67 HydrophobicContact CE1-CG 4.46Å; Y30-L67 HydrophobicContact CG-CD1 4.4Å; Y30-L67 PolarHBondContact OH-O 2.84Å; E33-L67 HydrophobicContact CG-CD1 4.26Å; C65-L67 PolarHBondContact O-N 2.8Å; L67-R151 PolarHBondContact O-NH2 3.42Å
68F95.9Very high96.8Very high0 Ų016.9 Ų16.90%09%0.093CC..SBendtrans-100.5158.1-176.7-57.4-61.9000112.2G12 Y30 E33 L34 L62 C65 A70 G73 V186 F299G12-F68 WeakPolarHBondContact O-CD1 3.33Å; Y30-F68 HydrophobicContact CD1-CD1 4.31Å; Y30-F68 AromaticContact CD1-CE1 3.51Å; Y30-F68 HydrophobicContact CD1-CE1 3.51Å; Y30-F68 AromaticContact CD1-CZ 3.85Å; Y30-F68 HydrophobicContact CD1-CZ 3.85Å; Y30-F68 HydrophobicContact CE1-CD1 4.13Å; Y30-F68 AromaticContact CE1-CE1 3.79Å; Y30-F68 HydrophobicContact CE1-CE1 3.79Å; Y30-F68 HydrophobicContact CE1-CZ 4.41Å; E33-F68 HydrophobicContact CB-CE2 3.88Å; E33-F68 HydrophobicContact CB-CZ 4.28Å; L34-F68 HydrophobicContact CD2-CZ 4.16Å; L34-F68 HydrophobicContact CG-CZ 4.09Å; L62-F68 HydrophobicContact CB-CD2 4.34Å; L62-F68 HydrophobicContact CD2-CD2 3.56Å; L62-F68 HydrophobicContact CD2-CE2 3.38Å; L62-F68 HydrophobicContact CD2-CG 4.43Å; L62-F68 HydrophobicContact CD2-CZ 4.13Å; C65-F68 HydrophobicContact CB-CD2 3.89Å; C65-F68 HydrophobicContact CB-CE2 4.33Å; C65-F68 PolarHBondContact O-N 3.33Å; F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.87Å; F68-G73 CarbonylContact O-C 3.5Å; F68-V186 HydrophobicContact CB-CG1 3.53Å; F68-V186 HydrophobicContact CG-CG1 4.12Å; F68-F299 HydrophobicContact CE1-CB 4.25Å; F68-F299 HydrophobicContact CE1-CG 4.28Å
69N96.1Very high96.6Very high0 Ų021.3 Ų21.30%012%0.116CC..SBendtrans-90.462.7-178.9177.626.6000111S74 V75 T183 G184 T203 G204 G205N69-S74 WeakPolarHBondContact OD1-CA 3.4Å; N69-V75 HydrophobicContact CB-CG1 4.48Å; N69-V75 WeakPolarHBondContact OD1-CG1 3.39Å; N69-V75 WeakPolarHBondContact OD1-CG2 3.23Å; N69-V75 PolarHBondContact OD1-N 3.46Å; N69-T183 PolarHBondContact ND2-O 3.11Å; N69-G184 WeakPolarHBondContact CB-O 3.39Å; N69-T203 CarbonylContact O-C 3.53Å; N69-T203 VanDerWaalsContact O-CA 3.28Å; N69-T203 WeakPolarHBondContact O-CA 3.3Å; N69-G204 PolarHBondContact O-N 2.9Å; N69-G204 WeakPolarHBondContact OD1-CA 3.41Å; N69-G204 PolarHBondContact OD1-N 3.49Å; N69-G205 PolarHBondContact ND2-O 3.18Å
70A97.3Very high96.4Very high0 Ų022.9 Ų22.90%013%0.133CC..SBendtrans-157.2144.4173.300000109.2E63 F68 K72 V186E63-A70 WeakPolarHBondContact CA-O 3.19Å; E63-A70 HydrophobicContact CG-CB 4.08Å; F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.87Å; A70-K72 CarbonylContact O-C 3.53Å; A70-K72 PolarHBondContact O-N 3.04Å; A70-K72 VanDerWaalsContact O-N 3.17Å; A70-K72 VanDerWaalsContact O-O 3.13Å; A70-V186 HydrophobicContact CB-CB 4.34Å; A70-V186 HydrophobicContact CB-CG1 3.99Å; A70-V186 HydrophobicContact CB-CG2 3.45Å; A70-V186 VanDerWaalsContact CB-CG2 3.45Å
71G97.8Very high96.3Very high0 Ų023 Ų230%014%0.135CC..SBendtrans50.1-125-175.200000111.4E63 G73 S74 F146E63-G71 CarbonylContact O-C 3.46Å; E63-G71 WeakPolarHBondContact O-CA 3.49Å; G71-G73 PolarHBondContact O-N 2.8Å; G71-S74 PolarHBondContact N-OG 3.17Å; G71-S74 WeakPolarHBondContact O-CB 3.39Å; G71-S74 PolarHBondContact O-N 3.44Å; G71-S74 VanDerWaalsContact O-N 3.16Å; G71-S74 PolarHBondContact O-OG 3.19Å; G71-F146 VanDerWaalsContact C-CD1 3.45Å; G71-F146 WeakPolarHBondContact O-CD1 3.03Å
72K97.2Very high96.2Very high73 Ų7321 Ų2132%0.31712%0.123SC..THydrogen-bonded Turntrans-61.7121.9172.8-172.4178.4-176.4-174.30110.3E63 C65 P66 A70 Y145E63-K72 PolarHBondContact O-N 2.95Å; C65-K72 CarbonylContact C-O 3.57Å; C65-K72 VanDerWaalsContact O-O 3.05Å; P66-K72 WeakPolarHBondContact CA-O 3.32Å; P66-K72 HydrophobicContact CB-CD 4.27Å; P66-K72 HydrophobicContact CB-CG 4.15Å; A70-K72 CarbonylContact O-C 3.53Å; A70-K72 PolarHBondContact O-N 3.04Å; A70-K72 VanDerWaalsContact O-N 3.17Å; A70-K72 VanDerWaalsContact O-O 3.13Å; K72-Y145 HydrophobicContact CB-CE1 3.86Å; K72-Y145 HydrophobicContact CD-CE2 4.4Å
73G95.8Very high96.2Very high0 Ų021.3 Ų21.30%013%0.125CC..THydrogen-bonded Turntrans99.36.9-175.300000114.1F68 G71 F146 R151F68-G73 CarbonylContact O-C 3.5Å; G71-G73 PolarHBondContact O-N 2.8Å; G73-F146 PolarHBondContact N-O 3.07Å; G73-F146 VanDerWaalsContact N-O 3.08Å; G73-R151 WeakPolarHBondContact O-CG 3.36Å; G73-R151 PolarHBondContact O-NE 3.33Å
74S96.3Very high96.2Very high0 Ų021.3 Ų21.30%013%0.125CC..PPolyproline II helixtrans-60.1144.6175.2-67.70000113.2N69 G71 F82 L84N69-S74 WeakPolarHBondContact OD1-CA 3.4Å; G71-S74 PolarHBondContact N-OG 3.17Å; G71-S74 WeakPolarHBondContact O-CB 3.39Å; G71-S74 PolarHBondContact O-N 3.44Å; G71-S74 VanDerWaalsContact O-N 3.16Å; G71-S74 PolarHBondContact O-OG 3.19Å; S74-F82 WeakPolarHBondContact O-CE1 3.49Å; S74-L84 VanDerWaalsContact CB-CD2 3.46Å; S74-L84 WeakPolarHBondContact OG-CD2 3.35Å
75V94.9Very high96.2Very high0 Ų018.7 Ų18.70%011%0.111CC..PPolyproline II helixtrans-69.6160.2171.3-62.80000111.4N69 G204 G205 T207N69-V75 HydrophobicContact CB-CG1 4.48Å; N69-V75 WeakPolarHBondContact OD1-CG1 3.39Å; N69-V75 WeakPolarHBondContact OD1-CG2 3.23Å; N69-V75 PolarHBondContact OD1-N 3.46Å; V75-G204 WeakPolarHBondContact CG2-O 3.13Å; V75-G205 VanDerWaalsContact CG2-C 3.48Å; V75-G205 VanDerWaalsContact CG2-O 3.3Å; V75-G205 WeakPolarHBondContact CG2-O 3.32Å; V75-T207 VanDerWaalsContact CG1-OG1 3.27Å; V75-T207 WeakPolarHBondContact CG1-OG1 3.22Å
76M95.2Very high96.3Very high8 Ų818.5 Ų18.54%0.03911%0.109CC..PPolyproline II helixtrans-102.8149.9180-74.8165-91.900112.2T81 F82 R151 L155 G208M76-T81 WeakPolarHBondContact CA-O 3.28Å; M76-F82 HydrophobicContact CE-CZ 4.49Å; M76-F82 HydrophobicContact CG-CD1 3.98Å; M76-F82 HydrophobicContact CG-CE1 3.49Å; M76-F82 VanDerWaalsContact CG-CE1 3.49Å; M76-F82 HydrophobicContact CG-CE2 4.42Å; M76-F82 HydrophobicContact CG-CZ 3.73Å; M76-F82 HydrophobicContact SD-CE1 4.29Å; M76-F82 HydrophobicContact SD-CZ 4.02Å; M76-R151 HydrophobicContact CE-CB 3.83Å; M76-L155 HydrophobicContact CB-CD2 3.75Å; M76-L155 HydrophobicContact SD-CD2 4.25Å; M76-G208 PolarHBondContact O-N 3.4Å
77S95.2Very high96.4Very high0 Ų015.9 Ų15.90%09%0.093CC..PPolyproline II helixtrans-63.4173.2165600000112.1D79 G80 T81 L155 K209S77-D79 PolarHBondContact O-N 3.12Å; S77-D79 PolarHBondContact OG-OD1 2.91Å; S77-G80 PolarHBondContact O-N 3.19Å; S77-G80 VanDerWaalsContact O-N 3.07Å; S77-T81 PolarHBondContact N-O 3.02Å; S77-T81 PolarHBondContact OG-N 2.82Å; S77-T81 PolarHBondContact OG-O 2.83Å; S77-T81 VanDerWaalsContact OG-O 3.05Å; S77-T81 PolarHBondContact OG-OG1 3.27Å; S77-T81 VanDerWaalsContact OG-OG1 3.05Å; S77-L155 VanDerWaalsContact O-CD1 3.3Å; S77-L155 WeakPolarHBondContact O-CD1 3.36Å; S77-L155 WeakPolarHBondContact O-CD2 3.12Å; S77-K209 CarbonylContact C-O 3.52Å; S77-K209 VanDerWaalsContact CA-O 3.27Å; S77-K209 WeakPolarHBondContact CA-O 3.34Å; S77-K209 WeakPolarHBondContact CB-O 3.27Å
78C93.9Very high96.6Very high50 Ų5014.4 Ų14.434%0.3389%0.085SC..THydrogen-bonded Turntrans-64.4-17.5176.566.20000114.6K209 P211C78-K209 PolarHBondContact N-O 3.22Å; C78-P211 VanDerWaalsContact SG-CD 3.56Å
79D94.9Very high96.7Very high93 Ų9315.3 Ų15.350%0.4979%0.089SC..THydrogen-bonded Turntrans-97.86.4174.668.40.6000113.6S77 T81 P211S77-D79 PolarHBondContact O-N 3.12Å; S77-D79 PolarHBondContact OG-OD1 2.91Å; D79-T81 WeakPolarHBondContact OD1-CB 3.42Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.29Å; D79-T81 PolarHBondContact OD1-N 2.94Å; D79-T81 PolarHBondContact OD1-OG1 2.87Å; D79-P211 HydrophobicContact CB-CG 4.46Å; D79-P211 VanDerWaalsContact OD2-CG 3.25Å; D79-P211 WeakPolarHBondContact OD2-CG 3.42Å
80G95.2Very high96.8Very high33 Ų3316 Ų1634%0.349%0.094SC..SBendtrans80.116.8176.500000114.7S77S77-G80 PolarHBondContact O-N 3.19Å; S77-G80 VanDerWaalsContact O-N 3.07Å
81T96Very high96.9Very high28 Ų2816.2 Ų16.217%0.17210%0.096CC..  trans-100.7165.7177.1650000111.9M76 S77 D79M76-T81 WeakPolarHBondContact CA-O 3.28Å; S77-T81 PolarHBondContact N-O 3.02Å; S77-T81 PolarHBondContact OG-N 2.82Å; S77-T81 PolarHBondContact OG-O 2.83Å; S77-T81 VanDerWaalsContact OG-O 3.05Å; S77-T81 PolarHBondContact OG-OG1 3.27Å; S77-T81 VanDerWaalsContact OG-OG1 3.05Å; D79-T81 WeakPolarHBondContact OD1-CB 3.42Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.29Å; D79-T81 PolarHBondContact OD1-N 2.94Å; D79-T81 PolarHBondContact OD1-OG1 2.87Å
82F96.9Very high96.8Very high9 Ų918.1 Ų18.14%0.03911%0.11CC..  trans-104137.7176.6-56-83.8000110.3S74 M76 E143 F146 Y147S74-F82 WeakPolarHBondContact O-CE1 3.49Å; M76-F82 HydrophobicContact CE-CZ 4.49Å; M76-F82 HydrophobicContact CG-CD1 3.98Å; M76-F82 HydrophobicContact CG-CE1 3.49Å; M76-F82 VanDerWaalsContact CG-CE1 3.49Å; M76-F82 HydrophobicContact CG-CE2 4.42Å; M76-F82 HydrophobicContact CG-CZ 3.73Å; M76-F82 HydrophobicContact SD-CE1 4.29Å; M76-F82 HydrophobicContact SD-CZ 4.02Å; F82-E143 HydrophobicContact CD2-CB 4.24Å; F82-E143 WeakPolarHBondContact CD2-O 3.36Å; F82-E143 WeakPolarHBondContact CE2-O 3.33Å; F82-F146 HydrophobicContact CB-CB 4.43Å; F82-F146 HydrophobicContact CB-CD2 4.07Å; F82-F146 HydrophobicContact CD1-CB 3.64Å; F82-F146 HydrophobicContact CD2-CB 4.11Å; F82-F146 HydrophobicContact CD2-CD2 4.28Å; F82-F146 HydrophobicContact CE1-CB 3.83Å; F82-F146 HydrophobicContact CE2-CB 4.29Å; F82-F146 HydrophobicContact CG-CB 3.78Å; F82-F146 HydrophobicContact CG-CD2 4.13Å; F82-F146 HydrophobicContact CG-CG 4.35Å; F82-F146 HydrophobicContact CZ-CB 4.17Å; F82-Y147 HydrophobicContact CZ-CD2 4.38Å
83E97Very high96.8Very high9 Ų919 Ų194%0.04212%0.121CC..  trans-140.7115.8173.4-65.7177.1155.900107.5L102 K209 P211 G212E83-L102 CarbonylContact C-O 3.6Å; E83-L102 VanDerWaalsContact CA-O 3.31Å; E83-L102 WeakPolarHBondContact CA-O 3.25Å; E83-K209 PolarHBondContact O-NZ 2.84Å; E83-P211 WeakPolarHBondContact OE1-CA 3.32Å; E83-P211 WeakPolarHBondContact OE2-CA 3.39Å; E83-G212 PolarHBondContact OE1-N 3.49Å; E83-G212 PolarHBondContact OE2-N 3.06Å
84L98.1Very high96.8Very high0 Ų021 Ų210%014%0.142CC..EExtended strand (participates in β ladder)trans-108.2143.9-170.7-47.8177.3000110.9S74 N101 L102 P108 F146 T203S74-L84 VanDerWaalsContact CB-CD2 3.46Å; S74-L84 WeakPolarHBondContact OG-CD2 3.35Å; L84-N101 PolarHBondContact O-N 2.86Å; L84-L102 HydrophobicContact CB-CB 4.26Å; L84-L102 PolarHBondContact N-O 3.5Å; L84-L102 PolarHBondContact O-N 2.8Å; L84-L102 VanDerWaalsContact O-N 3.09Å; L84-P108 HydrophobicContact CB-CB 4.45Å; L84-P108 HydrophobicContact CB-CG 3.62Å; L84-P108 HydrophobicContact CD1-CG 3.59Å; L84-P108 HydrophobicContact CG-CG 4.24Å; L84-F146 HydrophobicContact CD1-CD1 3.91Å; L84-F146 HydrophobicContact CD1-CD2 4.45Å; L84-F146 HydrophobicContact CD1-CE1 3.43Å; L84-F146 VanDerWaalsContact CD1-CE1 3.43Å; L84-F146 HydrophobicContact CD1-CE2 4.08Å; L84-F146 HydrophobicContact CD1-CG 4.37Å; L84-F146 HydrophobicContact CD1-CZ 3.52Å; L84-T203 WeakPolarHBondContact CA-O 3.25Å
85D98.5Very high96.9Very high0 Ų025.7 Ų25.70%016%0.16CC..EExtended strand (participates in β ladder)trans-126.3143.1175.7-59.6-34.4000109.8A99 T100 N101 S202 T203 S215 T217 C218D85-A99 CarbonylContact C-O 3.52Å; D85-A99 VanDerWaalsContact CA-O 3.32Å; D85-A99 WeakPolarHBondContact CA-O 3.25Å; D85-T100 WeakPolarHBondContact OD1-CA 3.18Å; D85-T100 VanDerWaalsContact OD1-CB 3.25Å; D85-T100 WeakPolarHBondContact OD1-CB 3.49Å; D85-T100 PolarHBondContact OD1-OG1 3.26Å; D85-N101 PolarHBondContact OD1-N 2.92Å; D85-S202 CarbonylContact O-C 3.46Å; D85-S202 WeakPolarHBondContact O-CA 3.45Å; D85-T203 HydrophobicContact CB-CG2 3.95Å; D85-T203 PolarHBondContact N-O 2.85Å; D85-T203 PolarHBondContact O-N 2.89Å; D85-S215 VanDerWaalsContact CB-OG 3.32Å; D85-S215 WeakPolarHBondContact CB-OG 3.43Å; D85-S215 WeakPolarHBondContact OD2-CB 3.04Å; D85-S215 PolarHBondContact OD2-N 3.12Å; D85-S215 PolarHBondContact OD2-OG 3.49Å; D85-T217 HydrophobicContact CB-CG2 4.38Å; D85-T217 WeakPolarHBondContact O-CG2 3.49Å; D85-C218 HydrophobicContact CB-CB 4.22Å
86A98.8Very high97Very high0 Ų026.3 Ų26.30%017%0.165CC..EExtended strand (participates in β ladder)trans-147.6158.917100000111G98 A99 P108 I109 A112 S201 T217A86-G98 CarbonylContact O-C 3.56Å; A86-G98 WeakPolarHBondContact O-CA 3.26Å; A86-A99 PolarHBondContact N-O 3.01Å; A86-A99 PolarHBondContact O-N 2.65Å; A86-P108 HydrophobicContact CB-CB 3.56Å; A86-I109 HydrophobicContact CB-CD1 4.33Å; A86-A112 HydrophobicContact CB-CB 4.45Å; A86-S201 CarbonylContact C-O 3.52Å; A86-S201 VanDerWaalsContact CA-O 3.26Å; A86-S201 WeakPolarHBondContact CA-O 3.26Å; A86-T217 CarbonylContact C-O 3.58Å
87G98.8Very high97.2Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-160.7159.1175.400000113A97 T200 S201 T217 Y224G87-A97 CarbonylContact C-O 3.41Å; G87-A97 WeakPolarHBondContact CA-O 3.43Å; G87-T200 CarbonylContact O-C 3.55Å; G87-T200 WeakPolarHBondContact O-CA 3.26Å; G87-S201 PolarHBondContact N-O 2.97Å; G87-S201 PolarHBondContact O-N 2.95Å; G87-T217 WeakPolarHBondContact CA-O 3.5Å; G87-T217 PolarHBondContact N-O 3.01Å; G87-Y224 VanDerWaalsContact CA-CE1 3.49Å
88L98.9Very high97.4Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-152.9155.4-179.458.273000113.1L52 V56 A96 A97 I109 A112 E113 L116 S199 T200 Y224L52-L88 HydrophobicContact CD1-CB 4.23Å; L52-L88 HydrophobicContact CD1-CD1 4.02Å; L52-L88 HydrophobicContact CD1-CD2 4.15Å; L52-L88 HydrophobicContact CD1-CG 4.37Å; V56-L88 HydrophobicContact CG2-CD2 3.83Å; L88-A96 CarbonylContact O-C 3.55Å; L88-A96 VanDerWaalsContact O-CA 3.27Å; L88-A96 WeakPolarHBondContact O-CA 3.46Å; L88-A97 HydrophobicContact CD1-CB 4.25Å; L88-A97 PolarHBondContact N-O 3.05Å; L88-A97 PolarHBondContact O-N 3.1Å; L88-I109 HydrophobicContact CB-CD1 4.24Å; L88-I109 HydrophobicContact CD2-CD1 4.08Å; L88-I109 HydrophobicContact CD2-CG1 4.5Å; L88-A112 HydrophobicContact CD2-CB 4.19Å; L88-A112 HydrophobicContact CG-CB 4.07Å; L88-E113 HydrophobicContact CD2-CB 3.84Å; L88-L116 HydrophobicContact CD1-CB 3.95Å; L88-L116 HydrophobicContact CD1-CD1 4Å; L88-L116 HydrophobicContact CD1-CD2 3.7Å; L88-L116 HydrophobicContact CD1-CG 4.09Å; L88-S199 CarbonylContact C-O 3.55Å; L88-S199 WeakPolarHBondContact CA-O 3.43Å; L88-S199 WeakPolarHBondContact CB-O 3.41Å; L88-T200 HydrophobicContact CB-CG2 3.83Å; L88-Y224 WeakPolarHBondContact O-CE2 3.38Å
89M98.8Very high97.6Very high19 Ų1923.5 Ų23.59%0.09415%0.147CC..EExtended strand (participates in β ladder)trans-140.6134.4178.6-168164.5-171.800111.4A96 A198 S199 Y224 F225 A226M89-A96 HydrophobicContact CB-CB 4.14Å; M89-A96 HydrophobicContact CG-CB 3.9Å; M89-A96 HydrophobicContact SD-CB 4.17Å; M89-A198 WeakPolarHBondContact O-CA 3.35Å; M89-S199 PolarHBondContact N-O 2.92Å; M89-S199 PolarHBondContact O-N 3.02Å; M89-S199 VanDerWaalsContact O-N 3.1Å; M89-Y224 HydrophobicContact CB-CD2 3.79Å; M89-Y224 HydrophobicContact CB-CE2 3.86Å; M89-F225 HydrophobicContact CE-CD2 4.29Å; M89-F225 HydrophobicContact CE-CE2 3.93Å; M89-F225 HydrophobicContact CE-CZ 4.45Å; M89-F225 HydrophobicContact SD-CD2 3.76Å; M89-F225 HydrophobicContact SD-CE2 4.03Å; M89-F225 HydrophobicContact SD-CG 4.3Å; M89-A226 HydrophobicContact CB-CB 4.1Å; M89-A226 VanDerWaalsContact CE-O 3.26Å; M89-A226 WeakPolarHBondContact CE-O 3.37Å; M89-A226 HydrophobicContact CG-CB 4.15Å; M89-A226 PolarHBondContact SD-N 3.09Å; M89-A226 VanDerWaalsContact SD-O 3.36Å
90C98.3Very high97.8Very high14 Ų1419.4 Ų19.410%0.09513%0.125CC..EExtended strand (participates in β ladder)trans-99.3107.9174.1179.60000109.5L52 S92 T93 G94 R95L52-C90 HydrophobicContact CD2-CB 4.49Å; C90-S92 VanDerWaalsContact C-N 3.3Å; C90-S92 PolarHBondContact O-N 3.18Å; C90-S92 PolarHBondContact SG-OG 3.1Å; C90-T93 WeakPolarHBondContact CB-OG1 3.49Å; C90-T93 PolarHBondContact O-N 3.22Å; C90-T93 PolarHBondContact O-OG1 3.12Å; C90-G94 WeakPolarHBondContact O-CA 3.3Å; C90-G94 PolarHBondContact O-N 3.44Å; C90-R95 PolarHBondContact N-O 2.92Å
91G98.1Very high97.9Very high4 Ų419.5 Ų19.54%0.04112%0.118CC..THydrogen-bonded Turntrans-67.2-25.5-172.800000114.8L197 A226 N227 K228G91-L197 WeakPolarHBondContact CA-O 3.27Å; G91-L197 PolarHBondContact N-O 3.07Å; G91-A226 WeakPolarHBondContact CA-O 3.47Å; G91-N227 CarbonylContact O-C 3.55Å; G91-K228 PolarHBondContact O-N 3.22Å
92S95.8Very high98Very high41 Ų4118.1 Ų18.129%0.28711%0.11SC..THydrogen-bonded Turntrans-72.7-35.3178.2600000112.9C90C90-S92 VanDerWaalsContact C-N 3.3Å; C90-S92 PolarHBondContact O-N 3.18Å; C90-S92 PolarHBondContact SG-OG 3.1Å
93T96.4Very high97.9Very high90 Ų9021 Ų2155%0.55212%0.122SC*.THydrogen-bonded Turntrans-99.2-19.7-179.564.50000113.3C90 R95C90-T93 WeakPolarHBondContact CB-OG1 3.49Å; C90-T93 PolarHBondContact O-N 3.22Å; C90-T93 PolarHBondContact O-OG1 3.12Å; T93-R95 PolarHBondContact O-N 2.86Å; T93-R95 PolarHBondContact OG1-N 2.73Å
94G96.8Very high97.9Very high44 Ų4426 Ų2645%0.45414%0.141SC..THydrogen-bonded Turntrans71.33.9-171.300000113.8C90C90-G94 WeakPolarHBondContact O-CA 3.3Å; C90-G94 PolarHBondContact O-N 3.44Å
95R97.8Very high97.9Very high97 Ų9726.1 Ų26.137%0.36614%0.141SC..EExtended strand (participates in β ladder)trans-74.5137.3176.5-65.2-165.166.3-173.4-1.9110C90 T93 L116 T119C90-R95 PolarHBondContact N-O 2.92Å; T93-R95 PolarHBondContact O-N 2.86Å; T93-R95 PolarHBondContact OG1-N 2.73Å; R95-L116 HydrophobicContact CB-CD1 3.6Å; R95-L116 HydrophobicContact CB-CG 4.44Å; R95-L116 PolarHBondContact NH1-O 3.28Å; R95-L116 PolarHBondContact NH2-O 3.11Å; R95-T119 PolarHBondContact NH2-O 2.88Å
96A98.6Very high97.9Very high13 Ų1328.1 Ų28.111%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-128.5156.1174.400000110.2L88 M89 L116 C122 P220 Y224L88-A96 CarbonylContact O-C 3.55Å; L88-A96 VanDerWaalsContact O-CA 3.27Å; L88-A96 WeakPolarHBondContact O-CA 3.46Å; M89-A96 HydrophobicContact CB-CB 4.14Å; M89-A96 HydrophobicContact CG-CB 3.9Å; M89-A96 HydrophobicContact SD-CB 4.17Å; A96-L116 VanDerWaalsContact C-CD1 3.49Å; A96-C122 PolarHBondContact O-SG 2.9Å; A96-P220 HydrophobicContact CB-CB 3.74Å; A96-P220 HydrophobicContact CB-CG 3.59Å; A96-Y224 HydrophobicContact CB-CE2 4.28Å
97A98.7Very high97.9Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-146.5146.7172.900000112.4G87 L88 A112 I115 L116 C122 Y224G87-A97 CarbonylContact C-O 3.41Å; G87-A97 WeakPolarHBondContact CA-O 3.43Å; L88-A97 HydrophobicContact CD1-CB 4.25Å; L88-A97 PolarHBondContact N-O 3.05Å; L88-A97 PolarHBondContact O-N 3.1Å; A97-A112 WeakPolarHBondContact CB-O 3.31Å; A97-I115 HydrophobicContact CB-CB 4.11Å; A97-I115 HydrophobicContact CB-CG2 3.9Å; A97-L116 HydrophobicContact CB-CB 3.72Å; A97-L116 HydrophobicContact CB-CD1 3.94Å; A97-L116 HydrophobicContact CB-CG 4.49Å; A97-C122 CarbonylContact C-O 3.55Å; A97-C122 WeakPolarHBondContact CA-O 3.08Å; A97-Y224 PolarHBondContact O-OH 2.65Å
98G98.6Very high97.9Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-133.1147.9175.600000112.3A86 I115 C122 I123 L124A86-G98 CarbonylContact O-C 3.56Å; A86-G98 WeakPolarHBondContact O-CA 3.26Å; G98-I115 WeakPolarHBondContact O-CD1 3.25Å; G98-C122 PolarHBondContact N-O 3.39Å; G98-I123 VanDerWaalsContact O-CA 3.28Å; G98-I123 WeakPolarHBondContact O-CA 3.45Å; G98-L124 PolarHBondContact O-N 3.05Å; G98-L124 VanDerWaalsContact O-N 3.1Å
99A98.6Very high97.8Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-126.2137.5170.300000108.5D85 A86 L102 L111 I115 L124D85-A99 CarbonylContact C-O 3.52Å; D85-A99 VanDerWaalsContact CA-O 3.32Å; D85-A99 WeakPolarHBondContact CA-O 3.25Å; A86-A99 PolarHBondContact N-O 3.01Å; A86-A99 PolarHBondContact O-N 2.65Å; A99-L102 HydrophobicContact CB-CD1 3.88Å; A99-L102 HydrophobicContact CB-CD2 4.47Å; A99-L102 HydrophobicContact CB-CG 4.46Å; A99-L111 HydrophobicContact CB-CB 4.32Å; A99-L111 HydrophobicContact CB-CD2 3.96Å; A99-L111 HydrophobicContact CB-CG 3.89Å; A99-I115 HydrophobicContact CB-CD1 3.94Å; A99-L124 WeakPolarHBondContact CA-O 3.45Å
100T98.5Very high97.8Very high6 Ų630.5 Ų30.54%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-145.4156-172.5-173.10000113.3D85 L102 I123 L124 G125 G126 L214D85-T100 WeakPolarHBondContact OD1-CA 3.18Å; D85-T100 VanDerWaalsContact OD1-CB 3.25Å; D85-T100 WeakPolarHBondContact OD1-CB 3.49Å; D85-T100 PolarHBondContact OD1-OG1 3.26Å; T100-L102 PolarHBondContact O-N 3.44Å; T100-I123 HydrophobicContact CG2-CG2 4.25Å; T100-L124 PolarHBondContact N-O 3.01Å; T100-L124 VanDerWaalsContact N-O 3.13Å; T100-G125 CarbonylContact O-C 3.57Å; T100-G125 WeakPolarHBondContact O-CA 3.32Å; T100-G126 PolarHBondContact O-N 2.97Å; T100-L214 HydrophobicContact CG2-CD2 3.7Å; T100-L214 HydrophobicContact CG2-CG 4.49Å; T100-L214 WeakPolarHBondContact OG1-CD2 3.24Å; T100-L214 WeakPolarHBondContact OG1-CG 3.26Å
101N97.3Very high97.9Very high35 Ų3529.9 Ų29.919%0.18716%0.155CC..EExtended strand (participates in β ladder)trans54.838.9179.9-67.9-21.3000112.8L84 D85 G126L84-N101 PolarHBondContact O-N 2.86Å; D85-N101 PolarHBondContact OD1-N 2.92Å; N101-G126 WeakPolarHBondContact O-CA 3.42Å
102L97.9Very high97.9Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-83.5143.7178.4-51.1173000110.6E83 L84 A99 T100 I105 P108 L111 A129 E130E83-L102 CarbonylContact C-O 3.6Å; E83-L102 VanDerWaalsContact CA-O 3.31Å; E83-L102 WeakPolarHBondContact CA-O 3.25Å; L84-L102 HydrophobicContact CB-CB 4.26Å; L84-L102 PolarHBondContact N-O 3.5Å; L84-L102 PolarHBondContact O-N 2.8Å; L84-L102 VanDerWaalsContact O-N 3.09Å; A99-L102 HydrophobicContact CB-CD1 3.88Å; A99-L102 HydrophobicContact CB-CD2 4.47Å; A99-L102 HydrophobicContact CB-CG 4.46Å; T100-L102 PolarHBondContact O-N 3.44Å; L102-I105 HydrophobicContact CD1-CB 4.42Å; L102-I105 HydrophobicContact CD2-CG1 4.49Å; L102-P108 HydrophobicContact CD1-CB 3.83Å; L102-P108 HydrophobicContact CD1-CG 4.19Å; L102-L111 HydrophobicContact CD1-CD2 3.77Å; L102-L111 HydrophobicContact CD2-CD2 3.47Å; L102-L111 VanDerWaalsContact CD2-CD2 3.47Å; L102-L111 HydrophobicContact CG-CD2 4.26Å; L102-A129 HydrophobicContact CD2-CB 3.68Å; L102-E130 HydrophobicContact CD2-CG 4.49Å
103K96.8Very high98Very high69 Ų6928.9 Ų28.930%0.314%0.144SC..SBendtrans-121.3-25.1-178.7-61.6-161.8169.9-162.10114.1E130 F146K103-E130 WeakPolarHBondContact CA-OE1 3.5Å; K103-E130 PolarHBondContact N-OE1 3.43Å; K103-F146 VanDerWaalsContact O-CE2 3.25Å; K103-F146 WeakPolarHBondContact O-CE2 3.28Å
104R96.6Very high98.1Very high115 Ų11524.9 Ų24.943%0.43412%0.121SC..SBendtrans-131.48.6-169.6-61-178.8-62154.64.6114.4E130 F140 C141R104-E130 IonicContact CZ-OE2 3.36Å; R104-E130 PolarHBondContact N-OE1 2.76Å; R104-E130 IonicContact NE-OE2 2.83Å; R104-E130 PolarHBondContact NE-OE2 3.21Å; R104-E130 IonicContact NH2-OE2 3.68Å; R104-E130 PolarHBondContact NH2-OE2 2.98Å; R104-F140 HydrophobicContact CB-CD1 3.83Å; R104-F140 HydrophobicContact CB-CE1 4.44Å; R104-F140 CarbonylContact O-C 3.41Å; R104-F140 WeakPolarHBondContact O-CA 3.33Å; R104-C141 WeakPolarHBondContact CA-O 3.35Å; R104-C141 WeakPolarHBondContact CB-O 3.24Å; R104-C141 PolarHBondContact O-N 3.1Å
105I97.7Very high98.2Very high1 Ų122.8 Ų22.81%0.00510%0.099CC..BIsolated β-bridgetrans-93117.7178.2-53.2-55.4000108.8L102 N107 L111 E130 A133 F140 F146L102-I105 HydrophobicContact CD1-CB 4.42Å; L102-I105 HydrophobicContact CD2-CG1 4.49Å; I105-N107 VanDerWaalsContact C-N 3.28Å; I105-N107 PolarHBondContact O-N 3.27Å; I105-L111 HydrophobicContact CG1-CD2 4.16Å; I105-L111 HydrophobicContact CG2-CB 4.34Å; I105-E130 HydrophobicContact CD1-CG 4.29Å; I105-E130 HydrophobicContact CG1-CG 4.17Å; I105-A133 HydrophobicContact CD1-CB 3.43Å; I105-A133 VanDerWaalsContact CD1-CB 3.43Å; I105-A133 HydrophobicContact CG1-CB 4.17Å; I105-F140 HydrophobicContact CD1-CD1 3.79Å; I105-F140 HydrophobicContact CD1-CD2 4.15Å; I105-F140 HydrophobicContact CD1-CE1 3.42Å; I105-F140 VanDerWaalsContact CD1-CE1 3.42Å; I105-F140 HydrophobicContact CD1-CE2 3.79Å; I105-F140 HydrophobicContact CD1-CG 4.14Å; I105-F140 HydrophobicContact CD1-CZ 3.43Å; I105-F140 VanDerWaalsContact CD1-CZ 3.43Å; I105-F146 WeakPolarHBondContact O-CZ 3.33Å
106K97.8Very high98.2Very high42 Ų4218.5 Ų18.518%0.1838%0.083CC..SBendtrans-58.1-41.6-174.4-175.1-178.2176.9-178.70112.6E139 C141 Y145K106-E139 HydrophobicContact CD-CB 4.49Å; K106-E139 HydrophobicContact CD-CG 4.05Å; K106-E139 VanDerWaalsContact CD-OE1 3.31Å; K106-E139 WeakPolarHBondContact CD-OE1 3.35Å; K106-E139 WeakPolarHBondContact CD-OE2 3.33Å; K106-E139 PolarHBondContact N-O 3.07Å; K106-E139 IonicContact NZ-OE1 2.67Å; K106-E139 PolarHBondContact NZ-OE1 2.96Å; K106-E139 IonicContact NZ-OE2 2.73Å; K106-E139 PolarHBondContact NZ-OE2 3.36Å; K106-C141 HydrophobicContact CB-CB 4.31Å; K106-Y145 HydrophobicContact CG-CD1 4.24Å; K106-Y145 HydrophobicContact CG-CE1 3.6Å; K106-Y145 HydrophobicContact CG-CE2 4.5Å
107N98.5Very high98.2Very high19 Ų1923.2 Ų23.210%0.10211%0.106CC..  trans-12788-177.6-64.1113.6000111.5L60 E63 N64 I105 I109 R110L60-N107 HydrophobicContact CD1-CB 3.59Å; L60-N107 WeakPolarHBondContact CD1-ND2 3.45Å; E63-N107 WeakPolarHBondContact OE2-CA 3.31Å; E63-N107 VanDerWaalsContact OE2-CB 3.23Å; E63-N107 WeakPolarHBondContact OE2-CB 3.39Å; E63-N107 PolarHBondContact OE2-ND2 2.96Å; N64-N107 PolarHBondContact OD1-ND2 3.46Å; I105-N107 VanDerWaalsContact C-N 3.28Å; I105-N107 PolarHBondContact O-N 3.27Å; N107-I109 PolarHBondContact O-N 3.17Å; N107-R110 HydrophobicContact CB-CB 4.41Å; N107-R110 HydrophobicContact CB-CG 4.28Å; N107-R110 PolarHBondContact O-N 2.9Å; N107-R110 VanDerWaalsContact O-N 3.09Å
108P98.6Very high98.2Very high0 Ų029.4 Ų29.40%013%0.133CC..Hα-helixtrans-48.4-37.8177.8-32.738000114.9E63 L84 A86 L102 R110 L111 A112E63-P108 WeakPolarHBondContact OE1-CD 3.49Å; L84-P108 HydrophobicContact CB-CB 4.45Å; L84-P108 HydrophobicContact CB-CG 3.62Å; L84-P108 HydrophobicContact CD1-CG 3.59Å; L84-P108 HydrophobicContact CG-CG 4.24Å; A86-P108 HydrophobicContact CB-CB 3.56Å; L102-P108 HydrophobicContact CD1-CB 3.83Å; L102-P108 HydrophobicContact CD1-CG 4.19Å; P108-R110 VanDerWaalsContact C-N 3.29Å; P108-R110 PolarHBondContact O-N 3.34Å; P108-L111 WeakPolarHBondContact O-CB 3.33Å; P108-L111 PolarHBondContact O-N 2.94Å; P108-A112 PolarHBondContact O-N 3.09Å
109I98.8Very high98.1Very high0 Ų030.4 Ų30.40%014%0.139CC..Hα-helixtrans-63.2-33.4-179.2-164.162.1000113.1V56 T59 L60 E63 A86 L88 N107 L111 A112 E113 T200V56-I109 HydrophobicContact CG1-CG1 4.46Å; V56-I109 HydrophobicContact CG1-CG2 4.31Å; V56-I109 HydrophobicContact CG2-CG1 4.28Å; T59-I109 HydrophobicContact CG2-CB 3.86Å; T59-I109 HydrophobicContact CG2-CD1 4.21Å; T59-I109 HydrophobicContact CG2-CG1 3.83Å; T59-I109 HydrophobicContact CG2-CG2 4.11Å; L60-I109 HydrophobicContact CD1-CG2 4.46Å; E63-I109 WeakPolarHBondContact OE1-CB 3.36Å; E63-I109 PolarHBondContact OE1-N 3.06Å; E63-I109 WeakPolarHBondContact OE2-CG2 3.24Å; A86-I109 HydrophobicContact CB-CD1 4.33Å; L88-I109 HydrophobicContact CB-CD1 4.24Å; L88-I109 HydrophobicContact CD2-CD1 4.08Å; L88-I109 HydrophobicContact CD2-CG1 4.5Å; N107-I109 PolarHBondContact O-N 3.17Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 2.88Å; I109-A112 HydrophobicContact CD1-CB 4.5Å; I109-A112 PolarHBondContact O-N 3.2Å; I109-E113 PolarHBondContact O-N 3.4Å; I109-T200 HydrophobicContact CD1-CG2 3.94Å; I109-T200 HydrophobicContact CG1-CG2 4.31Å
110R98.7Very high98Very high51 Ų5138 Ų3819%0.19218%0.18CC..Hα-helixtrans-70.1-28.1175.4-72.7-66.6-171.5-172.4-3.3112.2E53 L60 N107 P108 E113 A114 L138E53-R110 IonicContact OE1-CZ 2.7Å; E53-R110 IonicContact OE1-NH1 3.94Å; E53-R110 PolarHBondContact OE1-NH1 3.03Å; E53-R110 IonicContact OE1-NH2 3.72Å; E53-R110 PolarHBondContact OE1-NH2 2.7Å; E53-R110 IonicContact OE2-CZ 3.89Å; E53-R110 IonicContact OE2-NH1 3.52Å; E53-R110 PolarHBondContact OE2-NH1 3.46Å; E53-R110 IonicContact OE2-NH2 2.72Å; L60-R110 HydrophobicContact CD1-CG 3.94Å; N107-R110 HydrophobicContact CB-CB 4.41Å; N107-R110 HydrophobicContact CB-CG 4.28Å; N107-R110 PolarHBondContact O-N 2.9Å; N107-R110 VanDerWaalsContact O-N 3.09Å; P108-R110 VanDerWaalsContact C-N 3.29Å; P108-R110 PolarHBondContact O-N 3.34Å; R110-E113 VanDerWaalsContact CD-OE2 3.27Å; R110-E113 WeakPolarHBondContact CD-OE2 3.02Å; R110-E113 IonicContact CZ-OE2 3.98Å; R110-E113 IonicContact NE-OE2 3.05Å; R110-E113 IonicContact NH1-OE1 3.17Å; R110-E113 IonicContact NH1-OE2 3.59Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; R110-A114 WeakPolarHBondContact O-CB 3.43Å; R110-A114 PolarHBondContact O-N 2.81Å; R110-L138 HydrophobicContact CB-CD2 4.2Å
111L98.7Very high98Very high0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-70.8-44.4170.1179.155.9000111.4A99 L102 I105 P108 I109 E113 A114 I115 A129 F132 A133 L138A99-L111 HydrophobicContact CB-CB 4.32Å; A99-L111 HydrophobicContact CB-CD2 3.96Å; A99-L111 HydrophobicContact CB-CG 3.89Å; L102-L111 HydrophobicContact CD1-CD2 3.77Å; L102-L111 HydrophobicContact CD2-CD2 3.47Å; L102-L111 VanDerWaalsContact CD2-CD2 3.47Å; L102-L111 HydrophobicContact CG-CD2 4.26Å; I105-L111 HydrophobicContact CG1-CD2 4.16Å; I105-L111 HydrophobicContact CG2-CB 4.34Å; P108-L111 WeakPolarHBondContact O-CB 3.33Å; P108-L111 PolarHBondContact O-N 2.94Å; I109-L111 VanDerWaalsContact C-N 3.3Å; I109-L111 PolarHBondContact O-N 2.88Å; L111-E113 VanDerWaalsContact C-N 3.25Å; L111-E113 PolarHBondContact O-N 3.2Å; L111-A114 PolarHBondContact O-N 2.87Å; L111-A114 VanDerWaalsContact O-N 3.16Å; L111-I115 HydrophobicContact CD1-CD1 4.26Å; L111-I115 HydrophobicContact CD1-CG1 4.21Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.35Å; L111-I115 PolarHBondContact O-N 3.1Å; L111-A129 HydrophobicContact CD2-CB 4.11Å; L111-F132 HydrophobicContact CD1-CD1 3.69Å; L111-F132 HydrophobicContact CD1-CE1 4.06Å; L111-A133 HydrophobicContact CD1-CB 3.74Å; L111-A133 HydrophobicContact CD2-CB 4.16Å; L111-L138 HydrophobicContact CB-CD1 3.87Å; L111-L138 HydrophobicContact CD1-CD1 3.95Å
112A98.7Very high98Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-57.5-40.9174.100000111.5A86 L88 A97 P108 I109 I115 L116A86-A112 HydrophobicContact CB-CB 4.45Å; L88-A112 HydrophobicContact CD2-CB 4.19Å; L88-A112 HydrophobicContact CG-CB 4.07Å; A97-A112 WeakPolarHBondContact CB-O 3.31Å; P108-A112 PolarHBondContact O-N 3.09Å; I109-A112 HydrophobicContact CD1-CB 4.5Å; I109-A112 PolarHBondContact O-N 3.2Å; A112-I115 PolarHBondContact O-N 2.91Å; A112-L116 PolarHBondContact O-N 2.73Å
113E98.6Very high98Very high24 Ų2447.6 Ų47.611%0.11223%0.23CC..Hα-helixtrans-62.5-47173.1-178.8179.6-125.500112.8L88 I109 R110 L111 I115 L116 L117L88-E113 HydrophobicContact CD2-CB 3.84Å; I109-E113 PolarHBondContact O-N 3.4Å; R110-E113 VanDerWaalsContact CD-OE2 3.27Å; R110-E113 WeakPolarHBondContact CD-OE2 3.02Å; R110-E113 IonicContact CZ-OE2 3.98Å; R110-E113 IonicContact NE-OE2 3.05Å; R110-E113 IonicContact NH1-OE1 3.17Å; R110-E113 IonicContact NH1-OE2 3.59Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; L111-E113 VanDerWaalsContact C-N 3.25Å; L111-E113 PolarHBondContact O-N 3.2Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.05Å; E113-L116 WeakPolarHBondContact O-CB 3.34Å; E113-L116 PolarHBondContact O-N 3.21Å; E113-L117 HydrophobicContact CG-CD1 3.74Å; E113-L117 HydrophobicContact CG-CG 4.28Å; E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.34Å
114A98.6Very high98.1Very high7 Ų746.1 Ų46.16%0.05823%0.225CC..Hα-helixtrans-60.2-39.2176.700000111.9R110 L111 L117 K118 F132 A136 L138R110-A114 WeakPolarHBondContact O-CB 3.43Å; R110-A114 PolarHBondContact O-N 2.81Å; L111-A114 PolarHBondContact O-N 2.87Å; L111-A114 VanDerWaalsContact O-N 3.16Å; A114-L117 PolarHBondContact O-N 3.36Å; A114-K118 VanDerWaalsContact O-CB 3.32Å; A114-K118 WeakPolarHBondContact O-CB 3.14Å; A114-K118 PolarHBondContact O-N 2.89Å; A114-F132 HydrophobicContact CB-CE1 3.91Å; A114-F132 HydrophobicContact CB-CZ 4.26Å; A114-A136 HydrophobicContact CB-CB 4.08Å; A114-L138 HydrophobicContact CB-CD1 4.21Å
115I98.6Very high98.2Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-61.1-46.9175.7-68166.5000110A97 G98 A99 L111 A112 E113 T119 L124 F132A97-I115 HydrophobicContact CB-CB 4.11Å; A97-I115 HydrophobicContact CB-CG2 3.9Å; G98-I115 WeakPolarHBondContact O-CD1 3.25Å; A99-I115 HydrophobicContact CB-CD1 3.94Å; L111-I115 HydrophobicContact CD1-CD1 4.26Å; L111-I115 HydrophobicContact CD1-CG1 4.21Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.35Å; L111-I115 PolarHBondContact O-N 3.1Å; A112-I115 PolarHBondContact O-N 2.91Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.05Å; I115-T119 WeakPolarHBondContact O-CB 3.19Å; I115-T119 PolarHBondContact O-N 3.18Å; I115-T119 PolarHBondContact O-OG1 3.05Å; I115-L124 HydrophobicContact CD1-CB 3.78Å; I115-L124 HydrophobicContact CD1-CD1 4.11Å; I115-L124 HydrophobicContact CD1-CG 3.98Å; I115-L124 HydrophobicContact CG1-CB 4.47Å; I115-L124 HydrophobicContact CG1-CD1 3.89Å; I115-L124 HydrophobicContact CG1-CG 4.15Å; I115-L124 HydrophobicContact CG2-CG 4.44Å; I115-F132 HydrophobicContact CB-CE1 4.38Å; I115-F132 HydrophobicContact CG1-CD1 3.88Å; I115-F132 HydrophobicContact CG1-CE1 3.64Å
116L98.4Very high98.1Very high6 Ų643.3 Ų43.33%0.03123%0.232CC..Hα-helixtrans-59.2-48.6177.2-16985.9000111.7L52 L88 R95 A96 A97 A112 E113L52-L116 HydrophobicContact CD2-CD2 3.48Å; L52-L116 VanDerWaalsContact CD2-CD2 3.48Å; L88-L116 HydrophobicContact CD1-CB 3.95Å; L88-L116 HydrophobicContact CD1-CD1 4Å; L88-L116 HydrophobicContact CD1-CD2 3.7Å; L88-L116 HydrophobicContact CD1-CG 4.09Å; R95-L116 HydrophobicContact CB-CD1 3.6Å; R95-L116 HydrophobicContact CB-CG 4.44Å; R95-L116 PolarHBondContact NH1-O 3.28Å; R95-L116 PolarHBondContact NH2-O 3.11Å; A96-L116 VanDerWaalsContact C-CD1 3.49Å; A97-L116 HydrophobicContact CB-CB 3.72Å; A97-L116 HydrophobicContact CB-CD1 3.94Å; A97-L116 HydrophobicContact CB-CG 4.49Å; A112-L116 PolarHBondContact O-N 2.73Å; E113-L116 WeakPolarHBondContact O-CB 3.34Å; E113-L116 PolarHBondContact O-N 3.21Å
117L97.4Very high98.1Very high112 Ų11249.4 Ų49.459%0.58626%0.261SS*.Hα-helixtrans-82.6-32.5-169.8-64.4178.3000113.5E113 A114E113-L117 HydrophobicContact CG-CD1 3.74Å; E113-L117 HydrophobicContact CG-CG 4.28Å; E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.34Å; A114-L117 PolarHBondContact O-N 3.36Å
118K97.9Very high98.1Very high131 Ų13150.8 Ų50.857%0.5728%0.28SS*.Hα-helixtrans-113.30.4-168.8-52.9178.9179.1-179.70114.2A114 F132 A136A114-K118 VanDerWaalsContact O-CB 3.32Å; A114-K118 WeakPolarHBondContact O-CB 3.14Å; A114-K118 PolarHBondContact O-N 2.89Å; K118-F132 HydrophobicContact CB-CE2 4.41Å; K118-F132 HydrophobicContact CB-CZ 4.04Å; K118-A136 HydrophobicContact CD-CB 4.34Å; K118-A136 PolarHBondContact NZ-O 2.92Å; K118-A136 VanDerWaalsContact NZ-O 3.09Å
119T97.8Very high98.1Very high21 Ų2150.8 Ų50.813%0.12928%0.28CS..  trans-133.1167.2178.585.90000112.2R95 I115 H121 F132R95-T119 PolarHBondContact NH2-O 2.88Å; I115-T119 WeakPolarHBondContact O-CB 3.19Å; I115-T119 PolarHBondContact O-N 3.18Å; I115-T119 PolarHBondContact O-OG1 3.05Å; T119-H121 PolarHBondContact OG1-N 3.37Å; T119-H121 PolarHBondContact OG1-O 3.4Å; T119-F132 HydrophobicContact CG2-CD2 4.17Å; T119-F132 HydrophobicContact CG2-CE1 4.05Å; T119-F132 HydrophobicContact CG2-CE2 3.44Å; T119-F132 VanDerWaalsContact CG2-CE2 3.44Å; T119-F132 HydrophobicContact CG2-CZ 3.37Å
120N96.5Very high98Very high160 Ų16051.4 Ų51.486%0.85628%0.283SS*.SBendtrans-94.25.2167.8-67.1-36.3000112.4
121H97.8Very high98Very high116 Ų11653.7 Ų53.754%0.53730%0.296SS..  trans-90.7156.1-178.2-60.2-57.2000111T119 L124T119-H121 PolarHBondContact OG1-N 3.37Å; T119-H121 PolarHBondContact OG1-O 3.4Å; H121-L124 HydrophobicContact CB-CD2 4.22Å
122C97.6Very high98Very high56 Ų5655 Ų5538%0.37830%0.302SS..SBendtrans-92.7-53.4173.6-168.90000110.2A96 A97 G98A96-C122 PolarHBondContact O-SG 2.9Å; A97-C122 CarbonylContact C-O 3.55Å; A97-C122 WeakPolarHBondContact CA-O 3.08Å; G98-C122 PolarHBondContact N-O 3.39Å
123I98.5Very high98Very high69 Ų6955 Ų5535%0.35430%0.302SS..EExtended strand (participates in β ladder)trans-126.3131.1-174.4-55.3174.9000110.2G98 T100 C218G98-I123 VanDerWaalsContact O-CA 3.28Å; G98-I123 WeakPolarHBondContact O-CA 3.45Å; T100-I123 HydrophobicContact CG2-CG2 4.25Å; I123-C218 WeakPolarHBondContact CD1-O 3.41Å
124L98.5Very high97.9Very high38 Ų3858.8 Ų58.820%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-116.7146.7165.9-59.2-177.2000109.6G98 A99 T100 I115 H121 A129 F132G98-L124 PolarHBondContact O-N 3.05Å; G98-L124 VanDerWaalsContact O-N 3.1Å; A99-L124 WeakPolarHBondContact CA-O 3.45Å; T100-L124 PolarHBondContact N-O 3.01Å; T100-L124 VanDerWaalsContact N-O 3.13Å; I115-L124 HydrophobicContact CD1-CB 3.78Å; I115-L124 HydrophobicContact CD1-CD1 4.11Å; I115-L124 HydrophobicContact CD1-CG 3.98Å; I115-L124 HydrophobicContact CG1-CB 4.47Å; I115-L124 HydrophobicContact CG1-CD1 3.89Å; I115-L124 HydrophobicContact CG1-CG 4.15Å; I115-L124 HydrophobicContact CG2-CG 4.44Å; H121-L124 HydrophobicContact CB-CD2 4.22Å; L124-A129 HydrophobicContact CB-CB 3.75Å; L124-F132 HydrophobicContact CD1-CB 3.97Å; L124-F132 HydrophobicContact CD1-CD1 3.8Å; L124-F132 HydrophobicContact CD1-CG 3.9Å
125G98Very high97.9Very high37 Ų3765.1 Ų65.138%0.38135%0.35SS..EExtended strand (participates in β ladder)trans-137.5157.5178.800000114.7T100 A129T100-G125 CarbonylContact O-C 3.57Å; T100-G125 WeakPolarHBondContact O-CA 3.32Å; G125-A129 PolarHBondContact O-N 2.96Å
126G97.2Very high97.8Very high20 Ų2065.8 Ų65.821%0.20636%0.356CS..Hα-helixtrans57.6-142.3172.700000113.7T100 N101 G128 A129 E130T100-G126 PolarHBondContact O-N 2.97Å; N101-G126 WeakPolarHBondContact O-CA 3.42Å; G126-G128 PolarHBondContact O-N 3.29Å; G126-A129 WeakPolarHBondContact O-CB 3.28Å; G126-A129 PolarHBondContact O-N 3.26Å; G126-E130 PolarHBondContact O-N 3.13Å; G126-E130 VanDerWaalsContact O-N 3.12Å
127Q97Very high97.8Very high171 Ų17168.7 Ų68.780%0.79939%0.388SS*.Hα-helixtrans-56.9-35.8-176.6-173.1-1795.600113.3E130 Q131Q127-E130 PolarHBondContact O-N 3.27Å; Q127-Q131 WeakPolarHBondContact O-CB 3.12Å; Q127-Q131 PolarHBondContact O-N 3.49Å
128G97.9Very high97.8Very high48 Ų4865.4 Ų65.450%0.49537%0.37SS..Hα-helixtrans-66.1-37.9178.100000112.6G126 F132G126-G128 PolarHBondContact O-N 3.29Å; G128-F132 PolarHBondContact O-N 2.95Å; G128-F132 VanDerWaalsContact O-N 3.11Å
129A98.3Very high97.8Very high0 Ų064.6 Ų64.60%037%0.369CS..Hα-helixtrans-68.2-41.2175.300000111.8L102 L111 L124 G125 G126 F132 A133L102-A129 HydrophobicContact CD2-CB 3.68Å; L111-A129 HydrophobicContact CD2-CB 4.11Å; L124-A129 HydrophobicContact CB-CB 3.75Å; G125-A129 PolarHBondContact O-N 2.96Å; G126-A129 WeakPolarHBondContact O-CB 3.28Å; G126-A129 PolarHBondContact O-N 3.26Å; A129-F132 PolarHBondContact O-N 3.19Å; A129-A133 WeakPolarHBondContact O-CB 3.39Å; A129-A133 PolarHBondContact O-N 2.88Å
130E97.6Very high97.8Very high13 Ų1366.7 Ų66.76%0.06138%0.376CS..Hα-helixtrans-65.1-41.6174.8-67-163.7168.700112L102 K103 R104 I105 G126 Q127 F132 A133 L134 F140L102-E130 HydrophobicContact CD2-CG 4.49Å; K103-E130 WeakPolarHBondContact CA-OE1 3.5Å; K103-E130 PolarHBondContact N-OE1 3.43Å; R104-E130 IonicContact CZ-OE2 3.36Å; R104-E130 PolarHBondContact N-OE1 2.76Å; R104-E130 IonicContact NE-OE2 2.83Å; R104-E130 PolarHBondContact NE-OE2 3.21Å; R104-E130 IonicContact NH2-OE2 3.68Å; R104-E130 PolarHBondContact NH2-OE2 2.98Å; I105-E130 HydrophobicContact CD1-CG 4.29Å; I105-E130 HydrophobicContact CG1-CG 4.17Å; G126-E130 PolarHBondContact O-N 3.13Å; G126-E130 VanDerWaalsContact O-N 3.12Å; Q127-E130 PolarHBondContact O-N 3.27Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.29Å; E130-A133 VanDerWaalsContact O-CB 3.31Å; E130-A133 WeakPolarHBondContact O-CB 3.2Å; E130-A133 PolarHBondContact O-N 3.04Å; E130-L134 PolarHBondContact O-N 2.74Å; E130-F140 HydrophobicContact CB-CE1 4.15Å; E130-F140 HydrophobicContact CB-CZ 4.41Å; E130-F140 VanDerWaalsContact O-CZ 3.32Å; E130-F140 WeakPolarHBondContact O-CZ 3.41Å
131Q98.1Very high97.8Very high98 Ų9860 Ų6046%0.45834%0.341SS..Hα-helixtrans-59.2-44.3175.9-179.755.440.500111.4Q127 A133 L134 E135Q127-Q131 WeakPolarHBondContact O-CB 3.12Å; Q127-Q131 PolarHBondContact O-N 3.49Å; Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 2.9Å; Q131-L134 WeakPolarHBondContact O-CB 3.16Å; Q131-L134 PolarHBondContact O-N 3.34Å; Q131-E135 PolarHBondContact NE2-OE1 2.82Å; Q131-E135 PolarHBondContact O-N 2.76Å
132F98.5Very high97.7Very high28 Ų2861.8 Ų61.812%0.12335%0.35CS..Hα-helixtrans-63.8-37.1173.7173.1-106.9000112.6L111 A114 I115 K118 T119 L124 G128 A129 E130 L134 E135 A136L111-F132 HydrophobicContact CD1-CD1 3.69Å; L111-F132 HydrophobicContact CD1-CE1 4.06Å; A114-F132 HydrophobicContact CB-CE1 3.91Å; A114-F132 HydrophobicContact CB-CZ 4.26Å; I115-F132 HydrophobicContact CB-CE1 4.38Å; I115-F132 HydrophobicContact CG1-CD1 3.88Å; I115-F132 HydrophobicContact CG1-CE1 3.64Å; K118-F132 HydrophobicContact CB-CE2 4.41Å; K118-F132 HydrophobicContact CB-CZ 4.04Å; T119-F132 HydrophobicContact CG2-CD2 4.17Å; T119-F132 HydrophobicContact CG2-CE1 4.05Å; T119-F132 HydrophobicContact CG2-CE2 3.44Å; T119-F132 VanDerWaalsContact CG2-CE2 3.44Å; T119-F132 HydrophobicContact CG2-CZ 3.37Å; L124-F132 HydrophobicContact CD1-CB 3.97Å; L124-F132 HydrophobicContact CD1-CD1 3.8Å; L124-F132 HydrophobicContact CD1-CG 3.9Å; G128-F132 PolarHBondContact O-N 2.95Å; G128-F132 VanDerWaalsContact O-N 3.11Å; A129-F132 PolarHBondContact O-N 3.19Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.29Å; F132-L134 VanDerWaalsContact C-N 3.29Å; F132-L134 PolarHBondContact O-N 2.91Å; F132-E135 PolarHBondContact O-N 3.19Å; F132-A136 HydrophobicContact CZ-CB 4.41Å; F132-A136 VanDerWaalsContact O-CB 3.3Å; F132-A136 WeakPolarHBondContact O-CB 3.5Å; F132-A136 PolarHBondContact O-N 2.86Å
133A98.4Very high97.4Very high0 Ų062.3 Ų62.30%035%0.347CS..Hα-helixtrans-60.5-39.2175.600000112.3I105 L111 A129 E130 Q131 A136 G137 L138 F140I105-A133 HydrophobicContact CD1-CB 3.43Å; I105-A133 VanDerWaalsContact CD1-CB 3.43Å; I105-A133 HydrophobicContact CG1-CB 4.17Å; L111-A133 HydrophobicContact CD1-CB 3.74Å; L111-A133 HydrophobicContact CD2-CB 4.16Å; A129-A133 WeakPolarHBondContact O-CB 3.39Å; A129-A133 PolarHBondContact O-N 2.88Å; E130-A133 VanDerWaalsContact O-CB 3.31Å; E130-A133 WeakPolarHBondContact O-CB 3.2Å; E130-A133 PolarHBondContact O-N 3.04Å; Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 2.9Å; A133-A136 PolarHBondContact O-N 3.32Å; A133-G137 PolarHBondContact O-N 2.88Å; A133-L138 HydrophobicContact CB-CB 4.32Å; A133-L138 HydrophobicContact CB-CD1 4.08Å; A133-L138 PolarHBondContact O-N 3.44Å; A133-F140 HydrophobicContact CB-CE2 4.24Å; A133-F140 HydrophobicContact CB-CZ 4.12Å
134L97.8Very high97.2Very high104 Ų10464.8 Ų64.855%0.54536%0.361SS..Hα-helixtrans-63-46.4174.9-177.564.7000111.3E130 Q131 F132 A136 G137 F140E130-L134 PolarHBondContact O-N 2.74Å; Q131-L134 WeakPolarHBondContact O-CB 3.16Å; Q131-L134 PolarHBondContact O-N 3.34Å; F132-L134 VanDerWaalsContact C-N 3.29Å; F132-L134 PolarHBondContact O-N 2.91Å; L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 3.44Å; L134-G137 PolarHBondContact O-N 3.06Å; L134-G137 VanDerWaalsContact O-N 3.14Å; L134-F140 HydrophobicContact CB-CE2 3.89Å; L134-F140 HydrophobicContact CB-CZ 3.94Å; L134-F140 HydrophobicContact CD1-CE2 4.14Å
135E97.7Very high97.2Very high139 Ų13966 Ų6665%0.6536%0.363SS*.Hα-helixtrans-63.8-34.1176.1-68.4166-160.900112.3Q131 F132 G137Q131-E135 PolarHBondContact NE2-OE1 2.82Å; Q131-E135 PolarHBondContact O-N 2.76Å; F132-E135 PolarHBondContact O-N 3.19Å; E135-G137 PolarHBondContact O-N 3.37Å
136A97.7Very high97.2Very high15 Ų1564.2 Ų64.212%0.12435%0.345CS..THydrogen-bonded Turntrans-76-8.317700000113.8A114 K118 F132 A133 L134 L138A114-A136 HydrophobicContact CB-CB 4.08Å; K118-A136 HydrophobicContact CD-CB 4.34Å; K118-A136 PolarHBondContact NZ-O 2.92Å; K118-A136 VanDerWaalsContact NZ-O 3.09Å; F132-A136 HydrophobicContact CZ-CB 4.41Å; F132-A136 VanDerWaalsContact O-CB 3.3Å; F132-A136 WeakPolarHBondContact O-CB 3.5Å; F132-A136 PolarHBondContact O-N 2.86Å; A133-A136 PolarHBondContact O-N 3.32Å; L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 3.44Å; A136-L138 HydrophobicContact CB-CG 4.22Å
137G98Very high97.2Very high67 Ų6767.9 Ų67.969%0.69135%0.353SS*.THydrogen-bonded Turntrans77.428.2179.200000114.4A133 L134 E135A133-G137 PolarHBondContact O-N 2.88Å; L134-G137 PolarHBondContact O-N 3.06Å; L134-G137 VanDerWaalsContact O-N 3.14Å; E135-G137 PolarHBondContact O-N 3.37Å
138L98.1Very high97Very high42 Ų4260.9 Ų60.922%0.2232%0.322CS..PPolyproline II helixtrans-82.4152.7-178.8-61.6179.8000112.4R110 L111 A114 A133 A136 F140R110-L138 HydrophobicContact CB-CD2 4.2Å; L111-L138 HydrophobicContact CB-CD1 3.87Å; L111-L138 HydrophobicContact CD1-CD1 3.95Å; A114-L138 HydrophobicContact CB-CD1 4.21Å; A133-L138 HydrophobicContact CB-CB 4.32Å; A133-L138 HydrophobicContact CB-CD1 4.08Å; A133-L138 PolarHBondContact O-N 3.44Å; A136-L138 HydrophobicContact CB-CG 4.22Å; L138-F140 WeakPolarHBondContact O-CD2 3.3Å; L138-F140 PolarHBondContact O-N 3.5Å
139E97.8Very high96.9Very high115 Ų11564.2 Ų64.254%0.53733%0.325SS..PPolyproline II helixtrans-73.5124.4179.9-168.9-177.9164.800111.1K106K106-E139 HydrophobicContact CD-CB 4.49Å; K106-E139 HydrophobicContact CD-CG 4.05Å; K106-E139 VanDerWaalsContact CD-OE1 3.31Å; K106-E139 WeakPolarHBondContact CD-OE1 3.35Å; K106-E139 WeakPolarHBondContact CD-OE2 3.33Å; K106-E139 PolarHBondContact N-O 3.07Å; K106-E139 IonicContact NZ-OE1 2.67Å; K106-E139 PolarHBondContact NZ-OE1 2.96Å; K106-E139 IonicContact NZ-OE2 2.73Å; K106-E139 PolarHBondContact NZ-OE2 3.36Å
140F97.8Very high96.5Very high64 Ų6466.6 Ų66.628%0.28134%0.342SS..BIsolated β-bridgetrans-92.9153.5169.7-76.6-109.3000110.6R104 I105 E130 A133 L134 L138R104-F140 HydrophobicContact CB-CD1 3.83Å; R104-F140 HydrophobicContact CB-CE1 4.44Å; R104-F140 CarbonylContact O-C 3.41Å; R104-F140 WeakPolarHBondContact O-CA 3.33Å; I105-F140 HydrophobicContact CD1-CD1 3.79Å; I105-F140 HydrophobicContact CD1-CD2 4.15Å; I105-F140 HydrophobicContact CD1-CE1 3.42Å; I105-F140 VanDerWaalsContact CD1-CE1 3.42Å; I105-F140 HydrophobicContact CD1-CE2 3.79Å; I105-F140 HydrophobicContact CD1-CG 4.14Å; I105-F140 HydrophobicContact CD1-CZ 3.43Å; I105-F140 VanDerWaalsContact CD1-CZ 3.43Å; E130-F140 HydrophobicContact CB-CE1 4.15Å; E130-F140 HydrophobicContact CB-CZ 4.41Å; E130-F140 VanDerWaalsContact O-CZ 3.32Å; E130-F140 WeakPolarHBondContact O-CZ 3.41Å; A133-F140 HydrophobicContact CB-CE2 4.24Å; A133-F140 HydrophobicContact CB-CZ 4.12Å; L134-F140 HydrophobicContact CB-CE2 3.89Å; L134-F140 HydrophobicContact CB-CZ 3.94Å; L134-F140 HydrophobicContact CD1-CE2 4.14Å; L138-F140 WeakPolarHBondContact O-CD2 3.3Å; L138-F140 PolarHBondContact O-N 3.5Å
141C96.6Very high96.2Very high19 Ų1966.4 Ų66.413%0.12834%0.34CS..  trans-136.9158.9170.863.90000110.9R104 K106 Y145 F146R104-C141 WeakPolarHBondContact CA-O 3.35Å; R104-C141 WeakPolarHBondContact CB-O 3.24Å; R104-C141 PolarHBondContact O-N 3.1Å; K106-C141 HydrophobicContact CB-CB 4.31Å; C141-Y145 HydrophobicContact CB-CD1 4.27Å; C141-Y145 HydrophobicContact CB-CG 4.03Å; C141-F146 WeakPolarHBondContact SG-CZ 3.19Å
142E95Very high96Very high154 Ų15462.9 Ų62.972%0.7233%0.327SS*.  trans-66.1149.5167.1-63-58.5142.800110.1N144 Y145E142-N144 PolarHBondContact O-N 3.41Å; E142-N144 VanDerWaalsContact O-N 3.07Å; E142-Y145 VanDerWaalsContact O-CB 3.24Å; E142-Y145 WeakPolarHBondContact O-CB 3.18Å; E142-Y145 PolarHBondContact O-N 3.39Å
143E91.5Very high95.7Very high68 Ų6866.9 Ų66.932%0.31834%0.344SS..G310 helixtrans-55.5-31.5-179.1-70.9-170.7-157.800112.6F82 Y145 F146F82-E143 HydrophobicContact CD2-CB 4.24Å; F82-E143 WeakPolarHBondContact CD2-O 3.36Å; F82-E143 WeakPolarHBondContact CE2-O 3.33Å; E143-Y145 PolarHBondContact O-N 3.07Å; E143-Y145 VanDerWaalsContact O-N 3.11Å; E143-F146 WeakPolarHBondContact O-CD2 3.08Å; E143-F146 PolarHBondContact O-N 3.41Å; E143-F146 VanDerWaalsContact O-N 3.12Å
144N94.6Very high95.3Very high121 Ų12167.3 Ų67.365%0.64735%0.347SS*.G310 helixtrans-64.1-14.6178-169.864.5000113.8E142 F146 Y147E142-N144 PolarHBondContact O-N 3.41Å; E142-N144 VanDerWaalsContact O-N 3.07Å; N144-F146 PolarHBondContact O-N 3.48Å; N144-Y147 WeakPolarHBondContact O-CB 3.4Å; N144-Y147 PolarHBondContact O-N 3.04Å
145Y97.4Very high95Very high63 Ų6362.9 Ų62.925%0.24732%0.324CS..G310 helixtrans-60.7-35.4172.1173.4-99.8000112.2N64 K72 K106 C141 E142 E143 Y147N64-Y145 PolarHBondContact OD1-OH 3.11Å; K72-Y145 HydrophobicContact CB-CE1 3.86Å; K72-Y145 HydrophobicContact CD-CE2 4.4Å; K106-Y145 HydrophobicContact CG-CD1 4.24Å; K106-Y145 HydrophobicContact CG-CE1 3.6Å; K106-Y145 HydrophobicContact CG-CE2 4.5Å; C141-Y145 HydrophobicContact CB-CD1 4.27Å; C141-Y145 HydrophobicContact CB-CG 4.03Å; E142-Y145 VanDerWaalsContact O-CB 3.24Å; E142-Y145 WeakPolarHBondContact O-CB 3.18Å; E142-Y145 PolarHBondContact O-N 3.39Å; E143-Y145 PolarHBondContact O-N 3.07Å; E143-Y145 VanDerWaalsContact O-N 3.11Å; Y145-Y147 VanDerWaalsContact C-N 3.3Å; Y145-Y147 PolarHBondContact O-N 3.36Å
146F97.2Very high94.8Very high0 Ų059.9 Ų59.90%031%0.312CS..SBendtrans-78.7-16.6-177.6-52.3-58.8000113.4G71 G73 F82 L84 K103 I105 C141 E143 N144G71-F146 VanDerWaalsContact C-CD1 3.45Å; G71-F146 WeakPolarHBondContact O-CD1 3.03Å; G73-F146 PolarHBondContact N-O 3.07Å; G73-F146 VanDerWaalsContact N-O 3.08Å; F82-F146 HydrophobicContact CB-CB 4.43Å; F82-F146 HydrophobicContact CB-CD2 4.07Å; F82-F146 HydrophobicContact CD1-CB 3.64Å; F82-F146 HydrophobicContact CD2-CB 4.11Å; F82-F146 HydrophobicContact CD2-CD2 4.28Å; F82-F146 HydrophobicContact CE1-CB 3.83Å; F82-F146 HydrophobicContact CE2-CB 4.29Å; F82-F146 HydrophobicContact CG-CB 3.78Å; F82-F146 HydrophobicContact CG-CD2 4.13Å; F82-F146 HydrophobicContact CG-CG 4.35Å; F82-F146 HydrophobicContact CZ-CB 4.17Å; L84-F146 HydrophobicContact CD1-CD1 3.91Å; L84-F146 HydrophobicContact CD1-CD2 4.45Å; L84-F146 HydrophobicContact CD1-CE1 3.43Å; L84-F146 VanDerWaalsContact CD1-CE1 3.43Å; L84-F146 HydrophobicContact CD1-CE2 4.08Å; L84-F146 HydrophobicContact CD1-CG 4.37Å; L84-F146 HydrophobicContact CD1-CZ 3.52Å; K103-F146 VanDerWaalsContact O-CE2 3.25Å; K103-F146 WeakPolarHBondContact O-CE2 3.28Å; I105-F146 WeakPolarHBondContact O-CZ 3.33Å; C141-F146 WeakPolarHBondContact SG-CZ 3.19Å; E143-F146 WeakPolarHBondContact O-CD2 3.08Å; E143-F146 PolarHBondContact O-N 3.41Å; E143-F146 VanDerWaalsContact O-N 3.12Å; N144-F146 PolarHBondContact O-N 3.48Å
147Y97.2Very high94.5Very high97 Ų9760.3 Ų60.338%0.3832%0.315SS..  trans-66.2137.2-174178.4-89.1000112.9F82 N144 Y145F82-Y147 HydrophobicContact CZ-CD2 4.38Å; N144-Y147 WeakPolarHBondContact O-CB 3.4Å; N144-Y147 PolarHBondContact O-N 3.04Å; Y145-Y147 VanDerWaalsContact C-N 3.3Å; Y145-Y147 PolarHBondContact O-N 3.36Å
148T94.8Very high94Very high23 Ų2358.2 Ų58.214%0.14129%0.288CS..  trans-136.7150.6160.168.90000109.9P66 S150 R151 S152P66-T148 HydrophobicContact CB-CG2 3.99Å; T148-S150 PolarHBondContact O-N 3.28Å; T148-R151 PolarHBondContact O-N 2.86Å; T148-R151 WeakPolarHBondContact OG1-CG 3.38Å; T148-R151 PolarHBondContact OG1-N 2.68Å; T148-S152 PolarHBondContact O-N 3.13Å; T148-S152 VanDerWaalsContact O-N 3.15Å
149E94.1Very high93.6Very high118 Ų11859.9 Ų59.955%0.55130%0.296SS*.Hα-helixtrans-60.9-36.3178.9-167.4-173.2160.400111.9S152 K153E149-S152 PolarHBondContact O-N 3Å; E149-K153 HydrophobicContact CG-CD 4.47Å; E149-K153 WeakPolarHBondContact O-CG 2.82Å; E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 WeakPolarHBondContact OE1-CE 3.22Å; E149-K153 IonicContact OE1-NZ 3.33Å; E149-K153 PolarHBondContact OE1-NZ 3.42Å
150S90.4Very high93.3Very high51 Ų5163.2 Ų63.236%0.35731%0.309SS..Hα-helixtrans-58.3-51.1176.9-176.90000111.5T148 S152 K153 S154 F179T148-S150 PolarHBondContact O-N 3.28Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.41Å; S150-K153 WeakPolarHBondContact O-CB 3.47Å; S150-K153 PolarHBondContact O-N 3.4Å; S150-S154 PolarHBondContact O-N 3.4Å; S150-S154 PolarHBondContact O-OG 3.44Å; S150-S154 VanDerWaalsContact O-OG 3.08Å; S150-F179 WeakPolarHBondContact O-CE1 3.38Å; S150-F179 WeakPolarHBondContact O-CZ 3.45Å
151R91.7Very high92.8Very high8 Ų862.1 Ų62.13%0.0331%0.312CS..Hα-helixtrans-64.4-35.7179.6-60.1-61.5-178.6-155.7-1.8112.7L67 G73 M76 T148 S154 L155 S182L67-R151 PolarHBondContact O-NH2 3.42Å; G73-R151 WeakPolarHBondContact O-CG 3.36Å; G73-R151 PolarHBondContact O-NE 3.33Å; M76-R151 HydrophobicContact CE-CB 3.83Å; T148-R151 PolarHBondContact O-N 2.86Å; T148-R151 WeakPolarHBondContact OG1-CG 3.38Å; T148-R151 PolarHBondContact OG1-N 2.68Å; R151-S154 WeakPolarHBondContact O-CB 3.5Å; R151-S154 PolarHBondContact O-N 3.18Å; R151-S154 VanDerWaalsContact O-N 3.16Å; R151-L155 PolarHBondContact O-N 3.15Å; R151-S182 PolarHBondContact NH1-O 3.16Å; R151-S182 PolarHBondContact NH2-O 2.96Å
152S94Very high92.2Very high25 Ų2563.3 Ų63.318%0.17533%0.328CS..Hα-helixtrans-63.2-44.4174.6-1780000111.6T148 E149 S150 S154 L155 N156T148-S152 PolarHBondContact O-N 3.13Å; T148-S152 VanDerWaalsContact O-N 3.15Å; E149-S152 PolarHBondContact O-N 3Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.41Å; S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 3.13Å; S152-L155 PolarHBondContact O-N 3.28Å; S152-N156 WeakPolarHBondContact O-CB 3.48Å; S152-N156 PolarHBondContact O-N 3.24Å; S152-N156 PolarHBondContact O-ND2 3.49Å
153K92.5Very high91.8Very high112 Ų11257.6 Ų57.649%0.48730%0.3SS..Hα-helixtrans-61.6-36.3172.5-71.3173.6-178.4166.10111.3E149 S150 N156 A157 F179E149-K153 HydrophobicContact CG-CD 4.47Å; E149-K153 WeakPolarHBondContact O-CG 2.82Å; E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 WeakPolarHBondContact OE1-CE 3.22Å; E149-K153 IonicContact OE1-NZ 3.33Å; E149-K153 PolarHBondContact OE1-NZ 3.42Å; S150-K153 WeakPolarHBondContact O-CB 3.47Å; S150-K153 PolarHBondContact O-N 3.4Å; K153-N156 PolarHBondContact O-N 3.21Å; K153-A157 WeakPolarHBondContact O-CB 3.36Å; K153-A157 PolarHBondContact O-N 2.89Å; K153-F179 HydrophobicContact CB-CE2 4.48Å; K153-F179 HydrophobicContact CB-CZ 3.64Å
154S89.1Confident91.6Very high8 Ų855.6 Ų55.66%0.05629%0.293CS..Hα-helixtrans-62.6-48.7176.9-450000112S150 R151 S152 A157 F158 F179S150-S154 PolarHBondContact O-N 3.4Å; S150-S154 PolarHBondContact O-OG 3.44Å; S150-S154 VanDerWaalsContact O-OG 3.08Å; R151-S154 WeakPolarHBondContact O-CB 3.5Å; R151-S154 PolarHBondContact O-N 3.18Å; R151-S154 VanDerWaalsContact O-N 3.16Å; S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 3.13Å; S154-A157 PolarHBondContact O-N 3.45Å; S154-F158 WeakPolarHBondContact O-CB 3.24Å; S154-F158 PolarHBondContact O-N 3.26Å; S154-F179 WeakPolarHBondContact OG-CD1 3.44Å; S154-F179 WeakPolarHBondContact OG-CE1 3.48Å; S154-F179 WeakPolarHBondContact OG-CZ 3.07Å
155L92.6Very high91.2Very high11 Ų1153.4 Ų53.46%0.05828%0.278CS..Hα-helixtrans-61.3-46.3177.4177.663.6000110.9M76 S77 R151 S152 A157 F158 L159 T207M76-L155 HydrophobicContact CB-CD2 3.75Å; M76-L155 HydrophobicContact SD-CD2 4.25Å; S77-L155 VanDerWaalsContact O-CD1 3.3Å; S77-L155 WeakPolarHBondContact O-CD1 3.36Å; S77-L155 WeakPolarHBondContact O-CD2 3.12Å; R151-L155 PolarHBondContact O-N 3.15Å; S152-L155 PolarHBondContact O-N 3.28Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.83Å; L155-F158 WeakPolarHBondContact O-CB 3.42Å; L155-F158 PolarHBondContact O-N 2.62Å; L155-L159 HydrophobicContact CD1-CD1 3.97Å; L155-L159 HydrophobicContact CD1-CD2 4.43Å; L155-L159 HydrophobicContact CD1-CG 3.97Å; L155-L159 HydrophobicContact CD2-CD1 4.46Å; L155-L159 HydrophobicContact CG-CD1 3.91Å; L155-L159 HydrophobicContact CG-CG 4.29Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.89Å; L155-T207 HydrophobicContact CB-CG2 4.3Å; L155-T207 HydrophobicContact CD1-CG2 4.49Å
156N93.3Very high90.6Very high77 Ų7756.2 Ų56.241%0.41229%0.292SS..Hα-helixtrans-60.2-42178.7-77.5-51000112.4S152 K153 K160S152-N156 WeakPolarHBondContact O-CB 3.48Å; S152-N156 PolarHBondContact O-N 3.24Å; S152-N156 PolarHBondContact O-ND2 3.49Å; K153-N156 PolarHBondContact O-N 3.21Å; N156-K160 VanDerWaalsContact O-CB 3.29Å; N156-K160 WeakPolarHBondContact O-CB 3.43Å; N156-K160 VanDerWaalsContact O-CG 3.24Å; N156-K160 WeakPolarHBondContact O-CG 3.44Å; N156-K160 PolarHBondContact O-N 2.85Å
157A89.9Confident89.7Confident23 Ų2366.5 Ų66.519%0.1934%0.337CS..Hα-helixtrans-65.8-40.3176.100000111.9K153 S154 L155 A161 F179K153-A157 WeakPolarHBondContact O-CB 3.36Å; K153-A157 PolarHBondContact O-N 2.89Å; S154-A157 PolarHBondContact O-N 3.45Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.83Å; A157-A161 WeakPolarHBondContact O-CB 3.17Å; A157-A161 PolarHBondContact O-N 3.24Å; A157-A161 VanDerWaalsContact O-N 3.13Å; A157-F179 HydrophobicContact CB-CE2 4.21Å
158F88.6Confident88.4Confident24 Ų2466 Ų6611%0.10536%0.361CS..Hα-helixtrans-59.9-49.8174.7-179.3-86.1000111.7S154 L155 A161 K163 F165 L171 T207S154-F158 WeakPolarHBondContact O-CB 3.24Å; S154-F158 PolarHBondContact O-N 3.26Å; L155-F158 WeakPolarHBondContact O-CB 3.42Å; L155-F158 PolarHBondContact O-N 2.62Å; F158-A161 PolarHBondContact O-N 2.85Å; F158-K163 HydrophobicContact CD1-CB 3.96Å; F158-K163 HydrophobicContact CD2-CB 3.76Å; F158-K163 HydrophobicContact CD2-CD 3.88Å; F158-K163 HydrophobicContact CD2-CG 4.43Å; F158-K163 VanDerWaalsContact CE1-C 3.45Å; F158-K163 HydrophobicContact CE1-CB 3.73Å; F158-K163 WeakPolarHBondContact CE1-O 3.37Å; F158-K163 HydrophobicContact CE2-CB 3.52Å; F158-K163 HydrophobicContact CE2-CD 4.08Å; F158-K163 HydrophobicContact CE2-CG 4.42Å; F158-K163 HydrophobicContact CG-CB 3.97Å; F158-K163 HydrophobicContact CZ-CB 3.51Å; F158-K163 WeakPolarHBondContact O-CB 3.28Å; F158-K163 PolarHBondContact O-N 2.92Å; F158-F165 HydrophobicContact CE2-CE2 4.13Å; F158-F165 HydrophobicContact CE2-CZ 4.49Å; F158-F165 HydrophobicContact CZ-CD2 4.05Å; F158-F165 AromaticContact CZ-CE2 3.7Å; F158-F165 HydrophobicContact CZ-CE2 3.7Å; F158-F165 HydrophobicContact CZ-CZ 4.43Å; F158-L171 HydrophobicContact CE2-CD2 4.46Å; F158-L171 HydrophobicContact CZ-CD2 4.38Å; F158-T207 HydrophobicContact CB-CG2 4.22Å
159L89.9Confident87Confident77 Ų7769.7 Ų69.740%0.40338%0.376SS..Hα-helixtrans-68.1-40.8-179.2-65.2176.5000112.4L155 A161 G162L155-L159 HydrophobicContact CD1-CD1 3.97Å; L155-L159 HydrophobicContact CD1-CD2 4.43Å; L155-L159 HydrophobicContact CD1-CG 3.97Å; L155-L159 HydrophobicContact CD2-CD1 4.46Å; L155-L159 HydrophobicContact CG-CD1 3.91Å; L155-L159 HydrophobicContact CG-CG 4.29Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.89Å; L159-A161 VanDerWaalsContact C-N 3.27Å; L159-A161 PolarHBondContact O-N 2.99Å; L159-G162 PolarHBondContact O-N 2.96Å
160K90.8Very high85.2Confident184 Ų18467.7 Ų67.780%0.838%0.376SS*.Hα-helixtrans-63.1-32.2176.7-78.5178.1179.8-179.30112.9N156 G162N156-K160 VanDerWaalsContact O-CB 3.29Å; N156-K160 WeakPolarHBondContact O-CB 3.43Å; N156-K160 VanDerWaalsContact O-CG 3.24Å; N156-K160 WeakPolarHBondContact O-CG 3.44Å; N156-K160 PolarHBondContact O-N 2.85Å; K160-G162 PolarHBondContact O-N 3.42Å
161A86.9Confident83.9Confident42 Ų4269.6 Ų69.635%0.34738%0.381SS..THydrogen-bonded Turntrans-74.62173.400000113.3A157 F158 L159 K163A157-A161 WeakPolarHBondContact O-CB 3.17Å; A157-A161 PolarHBondContact O-N 3.24Å; A157-A161 VanDerWaalsContact O-N 3.13Å; F158-A161 PolarHBondContact O-N 2.85Å; L159-A161 VanDerWaalsContact C-N 3.27Å; L159-A161 PolarHBondContact O-N 2.99Å; A161-K163 HydrophobicContact CB-CD 4.25Å; A161-K163 HydrophobicContact CB-CG 3.98Å; A161-K163 PolarHBondContact O-N 2.66Å
162G85.9Confident81.8Confident44 Ų4476.8 Ų76.845%0.45442%0.415SS..THydrogen-bonded Turntrans70.213.2-179.200000114.1L159 K160 H169L159-G162 PolarHBondContact O-N 2.96Å; K160-G162 PolarHBondContact O-N 3.42Å; G162-H169 PolarHBondContact O-ND1 3.43Å
163K85.3Confident79.2Confident34 Ų3482 Ų8215%0.14844%0.442CS..  trans-71.1144.9-179-61.6-178-178.2-175.80110.2F158 A161F158-K163 HydrophobicContact CD1-CB 3.96Å; F158-K163 HydrophobicContact CD2-CB 3.76Å; F158-K163 HydrophobicContact CD2-CD 3.88Å; F158-K163 HydrophobicContact CD2-CG 4.43Å; F158-K163 VanDerWaalsContact CE1-C 3.45Å; F158-K163 HydrophobicContact CE1-CB 3.73Å; F158-K163 WeakPolarHBondContact CE1-O 3.37Å; F158-K163 HydrophobicContact CE2-CB 3.52Å; F158-K163 HydrophobicContact CE2-CD 4.08Å; F158-K163 HydrophobicContact CE2-CG 4.42Å; F158-K163 HydrophobicContact CG-CB 3.97Å; F158-K163 HydrophobicContact CZ-CB 3.51Å; F158-K163 WeakPolarHBondContact O-CB 3.28Å; F158-K163 PolarHBondContact O-N 2.92Å; A161-K163 HydrophobicContact CB-CD 4.25Å; A161-K163 HydrophobicContact CB-CG 3.98Å; A161-K163 PolarHBondContact O-N 2.66Å
164S87.2Confident76.8Confident25 Ų2581.2 Ų81.218%0.17544%0.442CS..  trans-162.8145.8179.5169.70000109.2K166S164-K166 PolarHBondContact O-N 2.59Å; S164-K166 WeakPolarHBondContact OG-CB 3.5Å; S164-K166 PolarHBondContact OG-N 3.03Å; S164-K166 VanDerWaalsContact OG-N 3.12Å
165F86.1Confident74.3Confident75 Ų7588.4 Ų88.433%0.32949%0.486SS..SBendtrans-81.5-1.4173.4-68.7-83.5000113.1F158 L171 T206 G208 M210F158-F165 HydrophobicContact CE2-CE2 4.13Å; F158-F165 HydrophobicContact CE2-CZ 4.49Å; F158-F165 HydrophobicContact CZ-CD2 4.05Å; F158-F165 AromaticContact CZ-CE2 3.7Å; F158-F165 HydrophobicContact CZ-CE2 3.7Å; F158-F165 HydrophobicContact CZ-CZ 4.43Å; F165-L171 HydrophobicContact CD1-CD1 4.09Å; F165-L171 HydrophobicContact CD1-CD2 4.03Å; F165-L171 HydrophobicContact CE1-CD1 4.16Å; F165-L171 HydrophobicContact CE1-CD2 3.97Å; F165-L171 HydrophobicContact CG-CD2 4.43Å; F165-L171 HydrophobicContact CZ-CD2 4.31Å; F165-T206 HydrophobicContact CE2-CG2 4.48Å; F165-T206 HydrophobicContact CZ-CG2 3.78Å; F165-G208 VanDerWaalsContact CD2-O 3.27Å; F165-G208 WeakPolarHBondContact CD2-O 3.22Å; F165-M210 HydrophobicContact CB-CG 4.44Å
166K85.7Confident71.6Confident123 Ų12390.3 Ų90.354%0.53550%0.5SS..SBendtrans-71.9141.1173.2-65.4-178.8-179177.40110.1S164 G168 H169 M210S164-K166 PolarHBondContact O-N 2.59Å; S164-K166 WeakPolarHBondContact OG-CB 3.5Å; S164-K166 PolarHBondContact OG-N 3.03Å; S164-K166 VanDerWaalsContact OG-N 3.12Å; K166-G168 PolarHBondContact O-N 2.9Å; K166-H169 PolarHBondContact O-N 2.81Å; K166-M210 HydrophobicContact CG-SD 4.02Å
167K79Confident69.1Low215 Ų21590 Ų9094%0.93550%0.498SS*.THydrogen-bonded Turntrans-52.2138.8173.7-70.9-173.6176.8-178.20110.8
168G69.8Low66.9Low87 Ų8795.2 Ų95.290%0.89752%0.518SS*.THydrogen-bonded Turntrans93-5.7-178.700000114.8K166K166-G168 PolarHBondContact O-N 2.9Å
169H64.2Low65Low100 Ų10096.8 Ų96.846%0.46353%0.525SS..SBendtrans-99.2142.7169.4-68.8-97.5000110.9G162 K166G162-H169 PolarHBondContact O-ND1 3.43Å; K166-H169 PolarHBondContact O-N 2.81Å
170S57Low62.8Low77 Ų7794.8 Ų94.854%0.53852%0.518SS..  trans-82122.3172.2550000110Q172S170-Q172 VanDerWaalsContact C-N 3.26Å; S170-Q172 WeakPolarHBondContact CB-O 3.28Å; S170-Q172 PolarHBondContact OG-O 3.06Å
171L63Low60.8Low90 Ų9086.2 Ų86.247%0.47148%0.481SS..SBendtrans-76.7-20.3164.7-69.6169.2000111.4F158 F165F158-L171 HydrophobicContact CE2-CD2 4.46Å; F158-L171 HydrophobicContact CZ-CD2 4.38Å; F165-L171 HydrophobicContact CD1-CD1 4.09Å; F165-L171 HydrophobicContact CD1-CD2 4.03Å; F165-L171 HydrophobicContact CE1-CD1 4.16Å; F165-L171 HydrophobicContact CE1-CD2 3.97Å; F165-L171 HydrophobicContact CG-CD2 4.43Å; F165-L171 HydrophobicContact CZ-CD2 4.31Å
172Q47.6Very low59.3Low160 Ų16084.2 Ų84.275%0.74846%0.464SS*.  trans-87.8149.2176.2-71.3176.70.500111.5S170S170-Q172 VanDerWaalsContact C-N 3.26Å; S170-Q172 WeakPolarHBondContact CB-O 3.28Å; S170-Q172 PolarHBondContact OG-O 3.06Å
173N40.1Very low58.6Low135 Ų13584.7 Ų84.772%0.72246%0.459SS*.  trans89.968.3-171.9-57.1-15.2000115.5
174D41.1Very low58.4Low94 Ų9483.3 Ų83.350%0.50345%0.454SS..  -169.3112.3110.1-119.5-34.5000107.8S176D174-S176 WeakPolarHBondContact CB-OG 3.29Å; D174-S176 PolarHBondContact O-N 2.96Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 PolarHBondContact OD1-OG 3.28Å
175V36.5Very low58.8Low160 Ų16082.5 Ų82.597%0.9745%0.448SS*.THydrogen-bonded Turntrans-77.723.1173.9-1540000110.2
176S35.9Very low59.4Low51 Ų5178.9 Ų78.936%0.35743%0.432SS..THydrogen-bonded Turntrans-128.33.3-167.164.90000113.5D174 H178D174-S176 WeakPolarHBondContact CB-OG 3.29Å; D174-S176 PolarHBondContact O-N 2.96Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 PolarHBondContact OD1-OG 3.28Å; S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.47Å; S176-H178 PolarHBondContact O-ND1 2.88Å
177N40.6Very low60Low71 Ų7173 Ų7338%0.3841%0.407SS..  trans-82.483.6167.2-80.4-11.1000108.6F179N177-F179 PolarHBondContact O-N 3.34Å
178H44.8Very low60.9Low131 Ų13162.8 Ų62.861%0.60636%0.362SS*.  trans-60.572.9173-60.172.5000109.4D21 S176 C180D21-H178 IonicContact OD1-CD2 2.78Å; D21-H178 PolarHBondContact OD1-CD2 3.13Å; D21-H178 IonicContact OD2-CD2 3.81Å; D21-H178 PolarHBondContact OD2-CD2 3.28Å; D21-H178 IonicContact OD2-CG 3.92Å; S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.47Å; S176-H178 PolarHBondContact O-ND1 2.88Å; H178-C180 PolarHBondContact O-N 2.72Å
179F47.6Very low62.3Low57 Ų5758.7 Ų58.725%0.2532%0.32CS..  trans-89.3105176.8-117.3-75.4000109.3S150 K153 S154 A157 N177 G181S150-F179 WeakPolarHBondContact O-CE1 3.38Å; S150-F179 WeakPolarHBondContact O-CZ 3.45Å; K153-F179 HydrophobicContact CB-CE2 4.48Å; K153-F179 HydrophobicContact CB-CZ 3.64Å; S154-F179 WeakPolarHBondContact OG-CD1 3.44Å; S154-F179 WeakPolarHBondContact OG-CE1 3.48Å; S154-F179 WeakPolarHBondContact OG-CZ 3.07Å; A157-F179 HydrophobicContact CB-CE2 4.21Å; N177-F179 PolarHBondContact O-N 3.34Å; F179-G181 PolarHBondContact O-N 2.89Å
180C43.3Very low64Low36 Ų3653.9 Ų53.924%0.24330%0.298CS..  trans-73.6106.8174.3-172.70000109.6D21 L26 H178D21-C180 PolarHBondContact O-SG 3.33Å; L26-C180 WeakPolarHBondContact CD2-SG 3.43Å; H178-C180 PolarHBondContact O-N 2.72Å
181G50Low65.9Low3 Ų350.2 Ų50.23%0.03127%0.272CS..SBendtrans139.5167.5163.800000115.7Y30 F179 T183Y30-G181 WeakPolarHBondContact OH-CA 3.32Å; F179-G181 PolarHBondContact O-N 2.89Å; G181-T183 PolarHBondContact O-N 3.06Å
182S55.4Low67.5Low0 Ų046.4 Ų46.40%025%0.252CS..  trans-64.1121.6-177.8-177.40000111.6G12 Y30 R151 G184G12-S182 WeakPolarHBondContact O-CB 3.31Å; G12-S182 PolarHBondContact O-OG 3.42Å; Y30-S182 PolarHBondContact OH-N 2.87Å; R151-S182 PolarHBondContact NH1-O 3.16Å; R151-S182 PolarHBondContact NH2-O 2.96Å; S182-G184 PolarHBondContact OG-N 3.09Å
183T71.6Confident69.7Low55 Ų5544.7 Ų44.734%0.33724%0.242SC..  trans-97.1-0167.457.40000112.5N69 G181N69-T183 PolarHBondContact ND2-O 3.11Å; G181-T183 PolarHBondContact O-N 3.06Å
184G81.2Confident72.3Confident5 Ų544.9 Ų44.95%0.05224%0.24CC..SBendtrans-94.8155.6-169.300000113.6N69 S182N69-G184 WeakPolarHBondContact CB-O 3.39Å; S182-G184 PolarHBondContact OG-N 3.09Å
185T94.2Very high74.8Confident7 Ų741.4 Ų41.44%0.04323%0.227CC..PPolyproline II helixtrans-49.8146.9167.1-630000111.7H11 G13 S201 S202 T203 T217 T235H11-T185 PolarHBondContact CE1-O 2.7Å; H11-T185 PolarHBondContact ND1-O 2.7Å; G13-T185 WeakPolarHBondContact CA-O 3.45Å; G13-T185 PolarHBondContact N-O 3.29Å; T185-S201 WeakPolarHBondContact CG2-OG 3.19Å; T185-S202 WeakPolarHBondContact CG2-O 3.18Å; T185-T203 WeakPolarHBondContact OG1-CB 3.31Å; T185-T203 PolarHBondContact OG1-OG1 2.86Å; T185-T203 VanDerWaalsContact OG1-OG1 3.07Å; T185-T217 HydrophobicContact CG2-CG2 4.35Å; T185-T217 WeakPolarHBondContact CG2-OG1 3.46Å; T185-T217 PolarHBondContact OG1-OG1 2.95Å; T185-T235 PolarHBondContact N-OG1 3Å; T185-T235 PolarHBondContact O-OG1 3.32Å
186V98.3Very high77.7Confident0 Ų036.7 Ų36.70%019%0.194CC..EExtended strand (participates in β ladder)trans-103.4157.4171.8-49.80000111H11 T59 L62 F68 A70 S201 S202H11-V186 CarbonylContact O-C 3.5Å; H11-V186 VanDerWaalsContact O-CA 3.22Å; H11-V186 WeakPolarHBondContact O-CA 3.44Å; H11-V186 WeakPolarHBondContact O-CB 3.44Å; T59-V186 HydrophobicContact CG2-CG2 4.22Å; L62-V186 HydrophobicContact CB-CB 3.95Å; L62-V186 HydrophobicContact CB-CG1 4.1Å; L62-V186 HydrophobicContact CB-CG2 3.85Å; L62-V186 HydrophobicContact CD1-CB 3.94Å; L62-V186 HydrophobicContact CD1-CG2 4.4Å; F68-V186 HydrophobicContact CB-CG1 3.53Å; F68-V186 HydrophobicContact CG-CG1 4.12Å; A70-V186 HydrophobicContact CB-CB 4.34Å; A70-V186 HydrophobicContact CB-CG1 3.99Å; A70-V186 HydrophobicContact CB-CG2 3.45Å; A70-V186 VanDerWaalsContact CB-CG2 3.45Å; V186-S201 CarbonylContact O-C 3.56Å; V186-S201 VanDerWaalsContact O-CA 3.31Å; V186-S201 WeakPolarHBondContact O-CA 3.46Å; V186-S202 PolarHBondContact N-O 3.05Å; V186-S202 PolarHBondContact O-N 3.17Å
187G98.6Very high80.7Confident0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-173.5167.8179.600000113.6V10 H11 T200V10-G187 CarbonylContact C-O 3.5Å; V10-G187 VanDerWaalsContact CA-O 3.28Å; V10-G187 WeakPolarHBondContact CA-O 3.21Å; H11-G187 PolarHBondContact CE1-N 3.23Å; H11-G187 PolarHBondContact N-O 2.73Å; H11-G187 WeakPolarHBondContact NE2-CA 3.39Å; H11-G187 PolarHBondContact NE2-N 3.31Å; H11-G187 PolarHBondContact O-N 2.83Å; G187-T200 WeakPolarHBondContact CA-O 3.44Å
188A98.9Very high83.5Confident0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-140.7150.5176.900000111.4A9 V10 A55 S199 T200A9-A188 CarbonylContact O-C 3.55Å; A9-A188 VanDerWaalsContact O-CA 3.29Å; A9-A188 WeakPolarHBondContact O-CA 3.32Å; V10-A188 HydrophobicContact CG1-CB 3.92Å; A55-A188 HydrophobicContact CB-CB 4.23Å; A188-S199 CarbonylContact O-C 3.54Å; A188-S199 WeakPolarHBondContact O-CA 3.48Å; A188-T200 WeakPolarHBondContact CB-OG1 3.25Å; A188-T200 PolarHBondContact N-O 3.46Å; A188-T200 VanDerWaalsContact N-O 3.11Å; A188-T200 PolarHBondContact N-OG1 2.94Å; A188-T200 PolarHBondContact O-N 3.27Å; A188-T200 PolarHBondContact O-OG1 2.87Å
189V98.9Very high86.1Confident0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-129.9136.8167.8-63.70000109.2I8 A9 A198 A231 I281 L283I8-V189 WeakPolarHBondContact CA-O 3.33Å; A9-V189 HydrophobicContact CB-CG2 3.8Å; A9-V189 PolarHBondContact N-O 2.98Å; A9-V189 PolarHBondContact O-N 2.83Å; V189-A198 WeakPolarHBondContact CA-O 3.39Å; V189-A231 HydrophobicContact CB-CB 3.9Å; V189-A231 HydrophobicContact CG1-CB 3.9Å; V189-I281 HydrophobicContact CG1-CD1 4.36Å; V189-I281 HydrophobicContact CG1-CG1 4.11Å; V189-I281 HydrophobicContact CG2-CB 4.44Å; V189-I281 HydrophobicContact CG2-CD1 3.94Å; V189-I281 HydrophobicContact CG2-CG1 3.91Å; V189-L283 HydrophobicContact CB-CB 4.32Å; V189-L283 HydrophobicContact CG2-CB 3.8Å
190T98.7Very high88.5Confident0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-136.1146.8-172.353.10000111.7I8 L45 C51 A54 A55 L197 A198I8-T190 HydrophobicContact CB-CG2 4.32Å; I8-T190 HydrophobicContact CD1-CG2 3.71Å; I8-T190 HydrophobicContact CG1-CG2 3.8Å; L45-T190 HydrophobicContact CD1-CG2 4.37Å; C51-T190 WeakPolarHBondContact CB-OG1 3.38Å; C51-T190 PolarHBondContact O-OG1 2.72Å; A54-T190 HydrophobicContact CB-CG2 4.01Å; A55-T190 HydrophobicContact CB-CG2 3.85Å; T190-L197 VanDerWaalsContact O-CA 3.25Å; T190-L197 WeakPolarHBondContact O-CA 3.25Å; T190-A198 PolarHBondContact N-O 3.31Å; T190-A198 PolarHBondContact O-N 2.55Å; T190-A198 VanDerWaalsContact O-N 3.1Å
191L98.2Very high91.1Very high0 Ų020.3 Ų20.30%011%0.107CC..EExtended strand (participates in β ladder)trans-125.3121171.7175.662.2000108.7K5 V6 A7 H196 L197 L283 D284K5-L191 HydrophobicContact CB-CD2 4.25Å; K5-L191 WeakPolarHBondContact O-CD2 3.38Å; K5-L191 VanDerWaalsContact O-CG 3.32Å; K5-L191 WeakPolarHBondContact O-CG 3.4Å; V6-L191 WeakPolarHBondContact CA-O 3.29Å; A7-L191 HydrophobicContact CB-CB 4.28Å; A7-L191 PolarHBondContact N-O 3.07Å; A7-L191 PolarHBondContact O-N 3.09Å; L191-H196 WeakPolarHBondContact CA-O 3.32Å; L191-L197 HydrophobicContact CB-CD2 3.93Å; L191-L197 HydrophobicContact CD1-CD2 3.92Å; L191-L197 HydrophobicContact CD1-CG 3.93Å; L191-L197 HydrophobicContact CG-CD2 4.44Å; L191-L283 HydrophobicContact CB-CD2 3.47Å; L191-L283 VanDerWaalsContact CB-CD2 3.47Å; L191-L283 HydrophobicContact CB-CG 4.25Å; L191-D284 WeakPolarHBondContact CD2-O 3.48Å
192D96.5Very high93.5Very high9 Ų920.1 Ų20.15%0.04811%0.106CC..  trans-89.6172.1177.670.927000113.3L45 C51 M194 G195 H196L45-D192 HydrophobicContact CD2-CB 3.93Å; C51-D192 HydrophobicContact CB-CB 3.97Å; D192-M194 PolarHBondContact O-N 3.06Å; D192-M194 VanDerWaalsContact O-N 3.14Å; D192-M194 VanDerWaalsContact OD1-CA 3.31Å; D192-M194 WeakPolarHBondContact OD1-CA 3.29Å; D192-M194 VanDerWaalsContact OD1-CB 3.31Å; D192-M194 WeakPolarHBondContact OD1-CB 3.32Å; D192-M194 PolarHBondContact OD1-N 2.84Å; D192-G195 PolarHBondContact O-N 3.12Å; D192-G195 PolarHBondContact OD1-N 3.42Å; D192-H196 PolarHBondContact N-O 3.21Å; D192-H196 IonicContact OD1-CG 2.96Å; D192-H196 PolarHBondContact OD1-N 3.39Å; D192-H196 IonicContact OD1-ND1 2.99Å; D192-H196 WeakPolarHBondContact OD2-CB 3.36Å; D192-H196 IonicContact OD2-CG 3.92Å; D192-H196 IonicContact OD2-ND1 3.91Å; D192-H196 PolarHBondContact OD2-ND1 2.69Å
193K93.8Very high95.5Very high125 Ų12520.2 Ų20.254%0.54311%0.106SC..THydrogen-bonded Turntrans-61.6-18.7178.169-173.6177.4-168.70114.2V6 G195V6-K193 HydrophobicContact CG2-CB 4.17Å; K193-G195 VanDerWaalsContact C-N 3.33Å
194M93.6Very high96.7Very high138 Ų13817.6 Ų17.668%0.689%0.09SC*.THydrogen-bonded Turntrans-87.3-6.5176.2-61.1-176.965.900112.1D192D192-M194 PolarHBondContact O-N 3.06Å; D192-M194 VanDerWaalsContact O-N 3.14Å; D192-M194 VanDerWaalsContact OD1-CA 3.31Å; D192-M194 WeakPolarHBondContact OD1-CA 3.29Å; D192-M194 VanDerWaalsContact OD1-CB 3.31Å; D192-M194 WeakPolarHBondContact OD1-CB 3.32Å; D192-M194 PolarHBondContact OD1-N 2.84Å
195G95.1Very high97.3Very high22 Ų2217.6 Ų17.623%0.2279%0.09CC..SBendtrans8317.9-176.500000113.4D192 K193D192-G195 PolarHBondContact O-N 3.12Å; D192-G195 PolarHBondContact OD1-N 3.42Å; K193-G195 VanDerWaalsContact C-N 3.33Å
196H97.5Very high97.2Very high61 Ų6119.8 Ų19.828%0.28210%0.103SC..  trans-87.5147.9173.3-51.1139.6000111.2C51 L191 D192C51-H196 VanDerWaalsContact SG-CB 3.56Å; L191-H196 WeakPolarHBondContact CA-O 3.32Å; D192-H196 PolarHBondContact N-O 3.21Å; D192-H196 IonicContact OD1-CG 2.96Å; D192-H196 PolarHBondContact OD1-N 3.39Å; D192-H196 IonicContact OD1-ND1 2.99Å; D192-H196 WeakPolarHBondContact OD2-CB 3.36Å; D192-H196 IonicContact OD2-CG 3.92Å; D192-H196 IonicContact OD2-ND1 3.91Å; D192-H196 PolarHBondContact OD2-ND1 2.69Å
197L98.5Very high97Very high1 Ų120.7 Ų20.71%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-117.3146.4-177.8-71.7151000110.9G91 T190 L191 A231 L283G91-L197 WeakPolarHBondContact CA-O 3.27Å; G91-L197 PolarHBondContact N-O 3.07Å; T190-L197 VanDerWaalsContact O-CA 3.25Å; T190-L197 WeakPolarHBondContact O-CA 3.25Å; L191-L197 HydrophobicContact CB-CD2 3.93Å; L191-L197 HydrophobicContact CD1-CD2 3.92Å; L191-L197 HydrophobicContact CD1-CG 3.93Å; L191-L197 HydrophobicContact CG-CD2 4.44Å; L197-A231 HydrophobicContact CB-CB 4.15Å; L197-A231 HydrophobicContact CD2-CB 4.21Å; L197-L283 HydrophobicContact CD2-CB 4.42Å; L197-L283 HydrophobicContact CD2-CD2 4.18Å; L197-L283 HydrophobicContact CD2-CG 4.23Å
198A98.8Very high96.7Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-140.8157.3170.300000111.2C51 L52 A55 M89 V189 T190 A231C51-A198 HydrophobicContact CB-CB 4.14Å; L52-A198 HydrophobicContact CB-CB 4.17Å; L52-A198 HydrophobicContact CD1-CB 4.19Å; A55-A198 HydrophobicContact CB-CB 4.47Å; M89-A198 WeakPolarHBondContact O-CA 3.35Å; V189-A198 WeakPolarHBondContact CA-O 3.39Å; T190-A198 PolarHBondContact N-O 3.31Å; T190-A198 PolarHBondContact O-N 2.55Å; T190-A198 VanDerWaalsContact O-N 3.1Å; A198-A231 WeakPolarHBondContact O-CB 3.46Å
199S98.9Very high96.5Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-135.5143.9174.1-170.40000110.4L88 M89 A188 F225 V232L88-S199 CarbonylContact C-O 3.55Å; L88-S199 WeakPolarHBondContact CA-O 3.43Å; L88-S199 WeakPolarHBondContact CB-O 3.41Å; M89-S199 PolarHBondContact N-O 2.92Å; M89-S199 PolarHBondContact O-N 3.02Å; M89-S199 VanDerWaalsContact O-N 3.1Å; A188-S199 CarbonylContact O-C 3.54Å; A188-S199 WeakPolarHBondContact O-CA 3.48Å; S199-F225 WeakPolarHBondContact CB-O 3.4Å; S199-V232 PolarHBondContact OG-O 3.4Å
200T98.9Very high96.3Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-133.9153174.354.20000110.5A55 V56 T59 G87 L88 I109 G187 A188 S233A55-T200 HydrophobicContact CB-CG2 3.55Å; A55-T200 PolarHBondContact O-OG1 3.37Å; V56-T200 HydrophobicContact CG2-CG2 4.12Å; T59-T200 WeakPolarHBondContact OG1-CB 3.5Å; T59-T200 PolarHBondContact OG1-OG1 2.67Å; G87-T200 CarbonylContact O-C 3.55Å; G87-T200 WeakPolarHBondContact O-CA 3.26Å; L88-T200 HydrophobicContact CB-CG2 3.83Å; I109-T200 HydrophobicContact CD1-CG2 3.94Å; I109-T200 HydrophobicContact CG1-CG2 4.31Å; G187-T200 WeakPolarHBondContact CA-O 3.44Å; A188-T200 WeakPolarHBondContact CB-OG1 3.25Å; A188-T200 PolarHBondContact N-O 3.46Å; A188-T200 VanDerWaalsContact N-O 3.11Å; A188-T200 PolarHBondContact N-OG1 2.94Å; A188-T200 PolarHBondContact O-N 3.27Å; A188-T200 PolarHBondContact O-OG1 2.87Å; T200-S233 PolarHBondContact O-OG 3.47Å
201S98.6Very high96.1Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-149.6144.5174.8-168.90000109.7A86 G87 T185 V186 T217A86-S201 CarbonylContact C-O 3.52Å; A86-S201 VanDerWaalsContact CA-O 3.26Å; A86-S201 WeakPolarHBondContact CA-O 3.26Å; G87-S201 PolarHBondContact N-O 2.97Å; G87-S201 PolarHBondContact O-N 2.95Å; T185-S201 WeakPolarHBondContact CG2-OG 3.19Å; V186-S201 CarbonylContact O-C 3.56Å; V186-S201 VanDerWaalsContact O-CA 3.31Å; V186-S201 WeakPolarHBondContact O-CA 3.46Å; S201-T217 VanDerWaalsContact C-CG2 3.46Å; S201-T217 WeakPolarHBondContact OG-CG2 3.46Å; S201-T217 PolarHBondContact OG-OG1 3.32Å
202S98.7Very high96Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-149.4143.4176.9-172.20000111.3E63 D85 T185 V186E63-S202 VanDerWaalsContact OE1-CB 3.31Å; E63-S202 WeakPolarHBondContact OE1-CB 3.48Å; E63-S202 PolarHBondContact OE1-OG 2.78Å; D85-S202 CarbonylContact O-C 3.46Å; D85-S202 WeakPolarHBondContact O-CA 3.45Å; T185-S202 WeakPolarHBondContact CG2-O 3.18Å; V186-S202 PolarHBondContact N-O 3.05Å; V186-S202 PolarHBondContact O-N 3.17Å
203T98Very high95.9Very high2 Ų230.7 Ų30.71%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-156150.7-175.2-164.90000114.3N69 L84 D85 T185 G205 S215 T217N69-T203 CarbonylContact O-C 3.53Å; N69-T203 VanDerWaalsContact O-CA 3.28Å; N69-T203 WeakPolarHBondContact O-CA 3.3Å; L84-T203 WeakPolarHBondContact CA-O 3.25Å; D85-T203 HydrophobicContact CB-CG2 3.95Å; D85-T203 PolarHBondContact N-O 2.85Å; D85-T203 PolarHBondContact O-N 2.89Å; T185-T203 WeakPolarHBondContact OG1-CB 3.31Å; T185-T203 PolarHBondContact OG1-OG1 2.86Å; T185-T203 VanDerWaalsContact OG1-OG1 3.07Å; T203-G205 VanDerWaalsContact C-N 3.3Å; T203-G205 PolarHBondContact OG1-N 2.98Å; T203-S215 VanDerWaalsContact CG2-OG 3.25Å; T203-S215 WeakPolarHBondContact CG2-OG 3.33Å; T203-T217 HydrophobicContact CG2-CG2 3.81Å; T203-T217 WeakPolarHBondContact CG2-OG1 3.26Å
204G96.5Very high96Very high0 Ų028.5 Ų28.50%016%0.162CC..  trans-82.2-5.8160.500000113.6N69 V75 K209N69-G204 PolarHBondContact O-N 2.9Å; N69-G204 WeakPolarHBondContact OD1-CA 3.41Å; N69-G204 PolarHBondContact OD1-N 3.49Å; V75-G204 WeakPolarHBondContact CG2-O 3.13Å; G204-K209 PolarHBondContact O-NZ 2.92Å
205G94.6Very high95.9Very high4 Ų422 Ų224%0.04113%0.13CC..  trans86.1-141.4-175.200000112.2N69 V75 T203N69-G205 PolarHBondContact ND2-O 3.18Å; V75-G205 VanDerWaalsContact CG2-C 3.48Å; V75-G205 VanDerWaalsContact CG2-O 3.3Å; V75-G205 WeakPolarHBondContact CG2-O 3.32Å; T203-G205 VanDerWaalsContact C-N 3.3Å; T203-G205 PolarHBondContact OG1-N 2.98Å
206T92.3Very high96Very high54 Ų5421 Ų2133%0.33112%0.12SC..  trans-116.2138.1-177.6-50.40000110.6F165 G208 K209F165-T206 HydrophobicContact CE2-CG2 4.48Å; F165-T206 HydrophobicContact CZ-CG2 3.78Å; T206-G208 PolarHBondContact O-N 3.29Å; T206-K209 VanDerWaalsContact O-CB 3.24Å; T206-K209 WeakPolarHBondContact O-CB 3.17Å; T206-K209 WeakPolarHBondContact O-CG 3.27Å; T206-K209 PolarHBondContact O-N 3.41Å
207T93.2Very high96Very high18 Ų1818.1 Ų18.111%0.1111%0.107CC..THydrogen-bonded Turntrans-52.1127.7176.3-59.80000111V75 L155 F158 K209V75-T207 VanDerWaalsContact CG1-OG1 3.27Å; V75-T207 WeakPolarHBondContact CG1-OG1 3.22Å; L155-T207 HydrophobicContact CB-CG2 4.3Å; L155-T207 HydrophobicContact CD1-CG2 4.49Å; F158-T207 HydrophobicContact CB-CG2 4.22Å; T207-K209 VanDerWaalsContact C-N 3.3Å
208G92.6Very high95.9Very high2 Ų218.1 Ų18.12%0.02111%0.107CC..THydrogen-bonded Turntrans78.510.6178.800000114.3M76 F165 T206M76-G208 PolarHBondContact O-N 3.4Å; F165-G208 VanDerWaalsContact CD2-O 3.27Å; F165-G208 WeakPolarHBondContact CD2-O 3.22Å; T206-G208 PolarHBondContact O-N 3.29Å
209K93.8Very high95.9Very high3 Ų320 Ų201%0.01312%0.118CC..PPolyproline II helixtrans-53.5151.7174.767.7-178.8-173.1-174.60111.7S77 C78 E83 G204 T206 T207 R213S77-K209 CarbonylContact C-O 3.52Å; S77-K209 VanDerWaalsContact CA-O 3.27Å; S77-K209 WeakPolarHBondContact CA-O 3.34Å; S77-K209 WeakPolarHBondContact CB-O 3.27Å; C78-K209 PolarHBondContact N-O 3.22Å; E83-K209 PolarHBondContact O-NZ 2.84Å; G204-K209 PolarHBondContact O-NZ 2.92Å; T206-K209 VanDerWaalsContact O-CB 3.24Å; T206-K209 WeakPolarHBondContact O-CB 3.17Å; T206-K209 WeakPolarHBondContact O-CG 3.27Å; T206-K209 PolarHBondContact O-N 3.41Å; T207-K209 VanDerWaalsContact C-N 3.3Å; K209-R213 HydrophobicContact CB-CB 4.36Å
210M94.8Very high95.8Very high83 Ų8321.9 Ų21.941%0.40913%0.13SC..PPolyproline II helixtrans-67.6137.2169.7-68.6177.655.300109.7F165 K166 G212 R213F165-M210 HydrophobicContact CB-CG 4.44Å; K166-M210 HydrophobicContact CG-SD 4.02Å; M210-G212 PolarHBondContact O-N 3.33Å; M210-R213 WeakPolarHBondContact O-CB 3.46Å; M210-R213 PolarHBondContact O-N 3.38Å
211P95.7Very high95.8Very high59 Ų5922.1 Ų22.138%0.38313%0.133SC..THydrogen-bonded Turntrans-52.7136.3171.9-28.234.8000111.8C78 D79 E83 R213C78-P211 VanDerWaalsContact SG-CD 3.56Å; D79-P211 HydrophobicContact CB-CG 4.46Å; D79-P211 VanDerWaalsContact OD2-CG 3.25Å; D79-P211 WeakPolarHBondContact OD2-CG 3.42Å; E83-P211 WeakPolarHBondContact OE1-CA 3.32Å; E83-P211 WeakPolarHBondContact OE2-CA 3.39Å; P211-R213 VanDerWaalsContact C-N 3.34Å
212G95.5Very high95.8Very high32 Ų3222.1 Ų22.133%0.3313%0.133SC..THydrogen-bonded Turntrans80.65.5-175.100000114.9E83 M210 L214E83-G212 PolarHBondContact OE1-N 3.49Å; E83-G212 PolarHBondContact OE2-N 3.06Å; M210-G212 PolarHBondContact O-N 3.33Å; G212-L214 WeakPolarHBondContact O-CD1 3.49Å; G212-L214 PolarHBondContact O-N 3.27Å
213R95.5Very high95.8Very high41 Ų4122.1 Ų22.116%0.15513%0.133CC..PPolyproline II helixtrans-70.6122.6173179.2-88.1-175.8170.82.3110K209 M210 P211 D239K209-R213 HydrophobicContact CB-CB 4.36Å; M210-R213 WeakPolarHBondContact O-CB 3.46Å; M210-R213 PolarHBondContact O-N 3.38Å; P211-R213 VanDerWaalsContact C-N 3.34Å; R213-D239 IonicContact CZ-OD1 3.68Å; R213-D239 IonicContact NE-OD1 3.66Å; R213-D239 PolarHBondContact NE-OD1 3.28Å; R213-D239 IonicContact NH2-OD1 3.42Å; R213-D239 PolarHBondContact NH2-OD1 3.01Å
214L94Very high95.8Very high78 Ų7822 Ų2241%0.40813%0.132SC..PPolyproline II helixtrans-89.3139.2174.3-60.989.6000110.3T100 G212T100-L214 HydrophobicContact CG2-CD2 3.7Å; T100-L214 HydrophobicContact CG2-CG 4.49Å; T100-L214 WeakPolarHBondContact OG1-CD2 3.24Å; T100-L214 WeakPolarHBondContact OG1-CG 3.26Å; G212-L214 WeakPolarHBondContact O-CD1 3.49Å; G212-L214 PolarHBondContact O-N 3.27Å
215S91.9Very high95.9Very high1 Ų123 Ų231%0.00714%0.137CC..PPolyproline II helixtrans-91.7169.2172.461.50000112.9D85 T203 T217 C218D85-S215 VanDerWaalsContact CB-OG 3.32Å; D85-S215 WeakPolarHBondContact CB-OG 3.43Å; D85-S215 WeakPolarHBondContact OD2-CB 3.04Å; D85-S215 PolarHBondContact OD2-N 3.12Å; D85-S215 PolarHBondContact OD2-OG 3.49Å; T203-S215 VanDerWaalsContact CG2-OG 3.25Å; T203-S215 WeakPolarHBondContact CG2-OG 3.33Å; S215-T217 PolarHBondContact O-N 2.96Å; S215-T217 WeakPolarHBondContact OG-CB 3.47Å; S215-T217 PolarHBondContact OG-N 2.82Å; S215-C218 PolarHBondContact O-SG 2.62Å; S215-C218 VanDerWaalsContact O-SG 3.34Å
216D97.2Very high96.1Very high2 Ų222.9 Ų22.91%0.01114%0.135CC..G310 helixtrans-58.5-28.3167.260.6-58.7000113.1C218 V219 A222 G223 G238 F241 L242D216-C218 PolarHBondContact O-N 3.02Å; D216-C218 VanDerWaalsContact O-N 3.17Å; D216-V219 PolarHBondContact O-N 3.28Å; D216-A222 HydrophobicContact CB-CB 3.93Å; D216-G223 WeakPolarHBondContact O-CA 3.12Å; D216-G223 PolarHBondContact O-N 3.44Å; D216-G223 VanDerWaalsContact O-N 3.07Å; D216-G223 WeakPolarHBondContact OD2-CA 3.29Å; D216-G238 WeakPolarHBondContact OD1-CA 3.27Å; D216-F241 HydrophobicContact CB-CB 3.59Å; D216-L242 HydrophobicContact CB-CD2 4.36Å; D216-L242 HydrophobicContact CB-CG 3.97Å
217T97.5Very high96.4Very high0 Ų021.5 Ų21.50%013%0.125CC..G310 helixtrans-58.1-27-176.4-66.50000114.4D85 A86 G87 T185 S201 T203 S215 Y224D85-T217 HydrophobicContact CB-CG2 4.38Å; D85-T217 WeakPolarHBondContact O-CG2 3.49Å; A86-T217 CarbonylContact C-O 3.58Å; G87-T217 WeakPolarHBondContact CA-O 3.5Å; G87-T217 PolarHBondContact N-O 3.01Å; T185-T217 HydrophobicContact CG2-CG2 4.35Å; T185-T217 WeakPolarHBondContact CG2-OG1 3.46Å; T185-T217 PolarHBondContact OG1-OG1 2.95Å; S201-T217 VanDerWaalsContact C-CG2 3.46Å; S201-T217 WeakPolarHBondContact OG-CG2 3.46Å; S201-T217 PolarHBondContact OG-OG1 3.32Å; T203-T217 HydrophobicContact CG2-CG2 3.81Å; T203-T217 WeakPolarHBondContact CG2-OG1 3.26Å; S215-T217 PolarHBondContact O-N 2.96Å; S215-T217 WeakPolarHBondContact OG-CB 3.47Å; S215-T217 PolarHBondContact OG-N 2.82Å; T217-Y224 VanDerWaalsContact O-CD1 3.28Å; T217-Y224 WeakPolarHBondContact O-CD1 3.37Å; T217-Y224 WeakPolarHBondContact O-CE1 3.32Å
218C97.2Very high96.5Very high1 Ų128.4 Ų28.41%0.00715%0.154CC..G310 helixtrans-92.1-7.2175.966.30000113.7D85 I123 S215 D216D85-C218 HydrophobicContact CB-CB 4.22Å; I123-C218 WeakPolarHBondContact CD1-O 3.41Å; S215-C218 PolarHBondContact O-SG 2.62Å; S215-C218 VanDerWaalsContact O-SG 3.34Å; D216-C218 PolarHBondContact O-N 3.02Å; D216-C218 VanDerWaalsContact O-N 3.17Å
219V98.4Very high96.8Very high41 Ų4132.1 Ų32.125%0.24817%0.173CC..SBendtrans-106.4114.2-172.3-178.90000111.1D216 G221 A222 G223 L242D216-V219 PolarHBondContact O-N 3.28Å; V219-G221 PolarHBondContact O-N 2.88Å; V219-A222 HydrophobicContact CB-CB 4.03Å; V219-A222 HydrophobicContact CG1-CB 4.07Å; V219-A222 PolarHBondContact O-N 2.81Å; V219-A222 VanDerWaalsContact O-N 3.11Å; V219-G223 PolarHBondContact O-N 3.21Å; V219-L242 HydrophobicContact CB-CD2 3.83Å; V219-L242 HydrophobicContact CG1-CD2 4.15Å; V219-L242 HydrophobicContact CG2-CD2 3.63Å
220P97.9Very high97Very high38 Ų3832 Ų3225%0.24717%0.173CC..BIsolated β-bridgetrans-59135175.8-11.319.3000111.3A96 A222 Y224A96-P220 HydrophobicContact CB-CB 3.74Å; A96-P220 HydrophobicContact CB-CG 3.59Å; P220-A222 VanDerWaalsContact C-N 3.26Å; P220-A222 PolarHBondContact O-N 3.06Å; P220-Y224 HydrophobicContact CB-CE2 4.03Å; P220-Y224 WeakPolarHBondContact CD-OH 3.43Å; P220-Y224 HydrophobicContact CG-CE2 4.29Å; P220-Y224 VanDerWaalsContact CG-OH 3.3Å; P220-Y224 WeakPolarHBondContact CG-OH 3.43Å
221G98.3Very high97.2Very high5 Ų528.1 Ų28.15%0.05215%0.153CC..THydrogen-bonded Turntrans86.4-19.5-176.600000114.6V219 Y224 N245 C247 Y248V219-G221 PolarHBondContact O-N 2.88Å; G221-Y224 PolarHBondContact N-O 2.81Å; G221-N245 CarbonylContact O-C 3.59Å; G221-N245 WeakPolarHBondContact O-CA 3.23Å; G221-C247 PolarHBondContact O-N 3.09Å; G221-Y248 PolarHBondContact O-N 3.31Å
222A98.3Very high97.3Very high0 Ų025.3 Ų25.30%014%0.135CC..THydrogen-bonded Turntrans-88.9-74.5172.400000110.6D216 V219 P220 L242 C247D216-A222 HydrophobicContact CB-CB 3.93Å; V219-A222 HydrophobicContact CB-CB 4.03Å; V219-A222 HydrophobicContact CG1-CB 4.07Å; V219-A222 PolarHBondContact O-N 2.81Å; V219-A222 VanDerWaalsContact O-N 3.11Å; P220-A222 VanDerWaalsContact C-N 3.26Å; P220-A222 PolarHBondContact O-N 3.06Å; A222-L242 HydrophobicContact CB-CD2 3.91Å; A222-L242 HydrophobicContact CB-CG 4.48Å; A222-C247 WeakPolarHBondContact O-CB 3.39Å; A222-C247 PolarHBondContact O-N 2.82Å; A222-C247 PolarHBondContact O-SG 2.76Å
223G97.8Very high97.5Very high0 Ų023.8 Ų23.80%012%0.119CC..THydrogen-bonded Turntrans-90-18.1-175.600000115.1D216 V219 G234 C247D216-G223 WeakPolarHBondContact O-CA 3.12Å; D216-G223 PolarHBondContact O-N 3.44Å; D216-G223 VanDerWaalsContact O-N 3.07Å; D216-G223 WeakPolarHBondContact OD2-CA 3.29Å; V219-G223 PolarHBondContact O-N 3.21Å; G223-G234 PolarHBondContact O-N 3.38Å; G223-C247 PolarHBondContact O-SG 3.23Å
224Y98.8Very high97.6Very high0 Ų021.8 Ų21.80%011%0.112CC..EExtended strand (participates in β ladder)trans-151.2153.117563.3-83.2000111G87 L88 M89 A96 A97 T217 P220 G221 V232G87-Y224 VanDerWaalsContact CA-CE1 3.49Å; L88-Y224 WeakPolarHBondContact O-CE2 3.38Å; M89-Y224 HydrophobicContact CB-CD2 3.79Å; M89-Y224 HydrophobicContact CB-CE2 3.86Å; A96-Y224 HydrophobicContact CB-CE2 4.28Å; A97-Y224 PolarHBondContact O-OH 2.65Å; T217-Y224 VanDerWaalsContact O-CD1 3.28Å; T217-Y224 WeakPolarHBondContact O-CD1 3.37Å; T217-Y224 WeakPolarHBondContact O-CE1 3.32Å; P220-Y224 HydrophobicContact CB-CE2 4.03Å; P220-Y224 WeakPolarHBondContact CD-OH 3.43Å; P220-Y224 HydrophobicContact CG-CE2 4.29Å; P220-Y224 VanDerWaalsContact CG-OH 3.3Å; P220-Y224 WeakPolarHBondContact CG-OH 3.43Å; G221-Y224 PolarHBondContact N-O 2.81Å; Y224-V232 CarbonylContact C-O 3.14Å; Y224-V232 VanDerWaalsContact CA-O 3.28Å; Y224-V232 WeakPolarHBondContact CA-O 3.49Å
225F98.8Very high97.8Very high22 Ų2218.1 Ų18.110%0.0969%0.092CC..EExtended strand (participates in β ladder)trans-156.4145.2174-171.3-98.4000111.1M89 S199 N227 L230 A231 V232 C247 Y248 A251M89-F225 HydrophobicContact CE-CD2 4.29Å; M89-F225 HydrophobicContact CE-CE2 3.93Å; M89-F225 HydrophobicContact CE-CZ 4.45Å; M89-F225 HydrophobicContact SD-CD2 3.76Å; M89-F225 HydrophobicContact SD-CE2 4.03Å; M89-F225 HydrophobicContact SD-CG 4.3Å; S199-F225 WeakPolarHBondContact CB-O 3.4Å; F225-N227 HydrophobicContact CE1-CB 3.88Å; F225-N227 HydrophobicContact CZ-CB 4.24Å; F225-L230 HydrophobicContact CD1-CD1 4.47Å; F225-A231 CarbonylContact O-C 3.57Å; F225-A231 VanDerWaalsContact O-CA 3.29Å; F225-A231 WeakPolarHBondContact O-CA 3.3Å; F225-V232 PolarHBondContact N-O 3.12Å; F225-V232 PolarHBondContact O-N 2.9Å; F225-C247 HydrophobicContact CB-CB 3.76Å; F225-Y248 HydrophobicContact CD2-CD2 4.04Å; F225-Y248 HydrophobicContact CE1-CD2 4.19Å; F225-Y248 AromaticContact CE2-CD2 3.5Å; F225-Y248 HydrophobicContact CE2-CD2 3.5Å; F225-Y248 HydrophobicContact CE2-CE2 4.19Å; F225-Y248 HydrophobicContact CE2-CG 4.45Å; F225-Y248 AromaticContact CZ-CD2 3.59Å; F225-Y248 HydrophobicContact CZ-CD2 3.59Å; F225-Y248 AromaticContact CZ-CE2 3.99Å; F225-Y248 HydrophobicContact CZ-CE2 3.99Å; F225-A251 HydrophobicContact CD1-CB 3.64Å; F225-A251 HydrophobicContact CE1-CB 3.41Å; F225-A251 VanDerWaalsContact CE1-CB 3.41Å; F225-A251 HydrophobicContact CZ-CB 4.3Å
226A98.7Very high97.9Very high0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-148.3138.7169.400000111M89 G91 L230 A231M89-A226 HydrophobicContact CB-CB 4.1Å; M89-A226 VanDerWaalsContact CE-O 3.26Å; M89-A226 WeakPolarHBondContact CE-O 3.37Å; M89-A226 HydrophobicContact CG-CB 4.15Å; M89-A226 PolarHBondContact SD-N 3.09Å; M89-A226 VanDerWaalsContact SD-O 3.36Å; G91-A226 WeakPolarHBondContact CA-O 3.47Å; A226-L230 WeakPolarHBondContact CA-O 3.43Å; A226-A231 HydrophobicContact CB-CB 4Å
227N98.2Very high97.6Very high25 Ų2521.8 Ų21.813%0.13412%0.117CC..  trans-138.5-163.2169.969.76.6000109.7G91 F225 L229 L230G91-N227 CarbonylContact O-C 3.55Å; F225-N227 HydrophobicContact CE1-CB 3.88Å; F225-N227 HydrophobicContact CZ-CB 4.24Å; N227-L229 PolarHBondContact O-N 2.86Å; N227-L229 WeakPolarHBondContact OD1-CA 3.39Å; N227-L229 WeakPolarHBondContact OD1-CB 3.3Å; N227-L229 PolarHBondContact OD1-N 3.18Å; N227-L230 PolarHBondContact N-O 3.09Å; N227-L230 PolarHBondContact OD1-N 3.32Å; N227-L230 PolarHBondContact OD1-O 2.94Å
228K96.6Very high97.5Very high163 Ų16321.8 Ų21.871%0.70912%0.117SC*.SBendtrans-73-12.3178.2-62.8-178.3-178.6177.90114.1G91G91-K228 PolarHBondContact O-N 3.22Å
229L97.2Very high97.3Very high81 Ų8124.8 Ų24.842%0.42413%0.133SC..SBendtrans-99.4-44.2-175.5-58.7177.3000111.6N227 E255 D284 G285N227-L229 PolarHBondContact O-N 2.86Å; N227-L229 WeakPolarHBondContact OD1-CA 3.39Å; N227-L229 WeakPolarHBondContact OD1-CB 3.3Å; N227-L229 PolarHBondContact OD1-N 3.18Å; L229-E255 HydrophobicContact CD1-CB 4.02Å; L229-E255 HydrophobicContact CD1-CG 3.92Å; L229-D284 CarbonylContact O-C 3.52Å; L229-D284 WeakPolarHBondContact O-CA 3.46Å; L229-G285 PolarHBondContact O-N 3.05Å
230L98.6Very high97.1Very high1 Ų125.4 Ų25.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-156.4166.6-173.958.381.9000113.4F225 A226 N227 V232 V250 A251 V254 L261 L283F225-L230 HydrophobicContact CD1-CD1 4.47Å; A226-L230 WeakPolarHBondContact CA-O 3.43Å; N227-L230 PolarHBondContact N-O 3.09Å; N227-L230 PolarHBondContact OD1-N 3.32Å; N227-L230 PolarHBondContact OD1-O 2.94Å; L230-V232 HydrophobicContact CD1-CG2 3.54Å; L230-V250 HydrophobicContact CD2-CG1 4.48Å; L230-A251 HydrophobicContact CD1-CB 3.92Å; L230-V254 HydrophobicContact CD2-CB 3.78Å; L230-V254 HydrophobicContact CD2-CG1 4.02Å; L230-V254 HydrophobicContact CD2-CG2 3.64Å; L230-L261 HydrophobicContact CB-CD1 4.36Å; L230-L261 HydrophobicContact CD2-CD1 3.86Å; L230-L283 CarbonylContact C-O 3.6Å; L230-L283 WeakPolarHBondContact CA-O 3.5Å; L230-L283 WeakPolarHBondContact CB-O 3.28Å
231A98.8Very high97.1Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-128.6146.116800000110.5V189 L197 A198 F225 A226 A282 L283V189-A231 HydrophobicContact CB-CB 3.9Å; V189-A231 HydrophobicContact CG1-CB 3.9Å; L197-A231 HydrophobicContact CB-CB 4.15Å; L197-A231 HydrophobicContact CD2-CB 4.21Å; A198-A231 WeakPolarHBondContact O-CB 3.46Å; F225-A231 CarbonylContact O-C 3.57Å; F225-A231 VanDerWaalsContact O-CA 3.29Å; F225-A231 WeakPolarHBondContact O-CA 3.3Å; A226-A231 HydrophobicContact CB-CB 4Å; A231-A282 CarbonylContact O-C 3.53Å; A231-A282 WeakPolarHBondContact O-CA 3.25Å; A231-L283 PolarHBondContact N-O 2.93Å; A231-L283 PolarHBondContact O-N 3.2Å
232V98.9Very high97.1Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-142.9133.2-177-168.10000109.9S199 Y224 F225 L230 C247 V250 L280 I281 A282S199-V232 PolarHBondContact OG-O 3.4Å; Y224-V232 CarbonylContact C-O 3.14Å; Y224-V232 VanDerWaalsContact CA-O 3.28Å; Y224-V232 WeakPolarHBondContact CA-O 3.49Å; F225-V232 PolarHBondContact N-O 3.12Å; F225-V232 PolarHBondContact O-N 2.9Å; L230-V232 HydrophobicContact CD1-CG2 3.54Å; V232-C247 HydrophobicContact CB-CB 4.12Å; V232-C247 HydrophobicContact CG1-CB 4.15Å; V232-V250 HydrophobicContact CG2-CB 4.1Å; V232-V250 HydrophobicContact CG2-CG1 3.87Å; V232-L280 HydrophobicContact CG1-CB 4.21Å; V232-L280 HydrophobicContact CG1-CD1 4.14Å; V232-L280 HydrophobicContact CG1-CD2 4.1Å; V232-L280 HydrophobicContact CG1-CG 4.4Å; V232-I281 WeakPolarHBondContact CA-O 3.25Å; V232-A282 HydrophobicContact CG1-CB 4.39Å; V232-A282 HydrophobicContact CG2-CB 4.11Å
233S98.8Very high97Very high0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-127.8128.9169.5-162.70000110.3H11 T200 L280 I281H11-S233 PolarHBondContact NE2-OG 2.89Å; T200-S233 PolarHBondContact O-OG 3.47Å; S233-L280 CarbonylContact O-C 3.44Å; S233-L280 VanDerWaalsContact O-CA 3.24Å; S233-L280 WeakPolarHBondContact O-CA 3.45Å; S233-L280 WeakPolarHBondContact O-CB 3.48Å; S233-I281 PolarHBondContact N-O 3.11Å; S233-I281 PolarHBondContact O-N 3.07Å
234G98Very high97Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-104.8157.4-171.800000113.9G223G223-G234 PolarHBondContact O-N 3.38Å
235T97.4Very high96.9Very high0 Ų039 Ų390%019%0.193CC..EExtended strand (participates in β ladder)trans-153140.9174.7-175.90000110.8G13 A14 T185 A278 G279 M298G13-T235 WeakPolarHBondContact CA-OG1 3.47Å; A14-T235 HydrophobicContact CB-CG2 3.66Å; A14-T235 PolarHBondContact N-OG1 3.39Å; T185-T235 PolarHBondContact N-OG1 3Å; T185-T235 PolarHBondContact O-OG1 3.32Å; T235-A278 CarbonylContact O-C 3.51Å; T235-G279 PolarHBondContact N-O 3.36Å; T235-G279 PolarHBondContact O-N 3.21Å; T235-M298 HydrophobicContact CG2-CG 4.34Å; T235-M298 HydrophobicContact CG2-SD 3.9Å
236G93.6Very high96.9Very high21 Ų2137.9 Ų37.922%0.21619%0.188CC..EExtended strand (participates in β ladder)trans144.3-142-178.100000112.6G238 H277G236-G238 PolarHBondContact O-N 3.4Å; G236-H277 CarbonylContact C-O 3.49Å; G236-H277 VanDerWaalsContact CA-O 3.24Å; G236-H277 WeakPolarHBondContact CA-O 3.41Å
237D92.6Very high96.9Very high59 Ų5937.9 Ų37.932%0.31619%0.188SC..  trans-7594.9176.3-165.7-37.9000111.2D239 F240 F241 C276 H277D237-D239 PolarHBondContact O-N 2.84Å; D237-D239 VanDerWaalsContact O-N 3.1Å; D237-D239 PolarHBondContact OD1-N 3.41Å; D237-F240 HydrophobicContact CB-CD2 3.99Å; D237-F240 PolarHBondContact O-N 3.18Å; D237-F241 WeakPolarHBondContact O-CD2 3.46Å; D237-F241 PolarHBondContact O-N 3.14Å; D237-F241 VanDerWaalsContact O-N 3.12Å; D237-C276 HydrophobicContact CB-CB 4.2Å; D237-H277 PolarHBondContact N-O 2.79Å
238G93.4Very high96.9Very high1 Ų141 Ų411%0.0120%0.198CC..Hα-helixtrans-57.5-26.8-174.700000114.9D216 G236 F241 L242D216-G238 WeakPolarHBondContact OD1-CA 3.27Å; G236-G238 PolarHBondContact O-N 3.4Å; G238-F241 PolarHBondContact O-N 3.05Å; G238-L242 WeakPolarHBondContact O-CB 3.41Å; G238-L242 VanDerWaalsContact O-CG 3.32Å; G238-L242 WeakPolarHBondContact O-CG 3.24Å; G238-L242 PolarHBondContact O-N 3.18Å
239D93.8Very high97Very high63 Ų6338.1 Ų38.134%0.33718%0.183SC..Hα-helixtrans-72.7-34.7-179.9-64.7-8.1000110.7R213 D237 Q243R213-D239 IonicContact CZ-OD1 3.68Å; R213-D239 IonicContact NE-OD1 3.66Å; R213-D239 PolarHBondContact NE-OD1 3.28Å; R213-D239 IonicContact NH2-OD1 3.42Å; R213-D239 PolarHBondContact NH2-OD1 3.01Å; D237-D239 PolarHBondContact O-N 2.84Å; D237-D239 VanDerWaalsContact O-N 3.1Å; D237-D239 PolarHBondContact OD1-N 3.41Å; D239-Q243 WeakPolarHBondContact O-CB 3.46Å; D239-Q243 WeakPolarHBondContact O-CG 3.5Å; D239-Q243 PolarHBondContact O-N 3.19Å
240F95.3Very high97.1Very high55 Ų5534.2 Ų34.224%0.24116%0.163CC..Hα-helixtrans-73.3-39172.2-76-82.5000112.3D237 L242 Q243 R244 M273 C276D237-F240 HydrophobicContact CB-CD2 3.99Å; D237-F240 PolarHBondContact O-N 3.18Å; F240-L242 VanDerWaalsContact C-N 3.29Å; F240-L242 PolarHBondContact O-N 3.24Å; F240-Q243 PolarHBondContact O-N 3.4Å; F240-R244 VanDerWaalsContact CD1-NH2 3.32Å; F240-R244 VanDerWaalsContact CE1-NH2 3.33Å; F240-R244 WeakPolarHBondContact O-CB 3.31Å; F240-R244 WeakPolarHBondContact O-CG 3.11Å; F240-R244 PolarHBondContact O-N 3.32Å; F240-M273 HydrophobicContact CB-CE 3.78Å; F240-M273 HydrophobicContact CB-SD 4.17Å; F240-C276 HydrophobicContact CD2-CB 3.69Å; F240-C276 HydrophobicContact CE2-CB 3.94Å; F240-C276 HydrophobicContact CG-CB 4.07Å
241F97.4Very high97.1Very high0 Ų034.2 Ų34.20%016%0.163CC..Hα-helixtrans-57.8-42.1172.9-88.4-100000111.6D216 D237 G238 N245 I246 M273 A278D216-F241 HydrophobicContact CB-CB 3.59Å; D237-F241 WeakPolarHBondContact O-CD2 3.46Å; D237-F241 PolarHBondContact O-N 3.14Å; D237-F241 VanDerWaalsContact O-N 3.12Å; G238-F241 PolarHBondContact O-N 3.05Å; F241-N245 WeakPolarHBondContact O-CA 3.39Å; F241-N245 PolarHBondContact O-N 2.91Å; F241-I246 HydrophobicContact CD1-CB 3.67Å; F241-I246 HydrophobicContact CD1-CG1 4.19Å; F241-I246 HydrophobicContact CD1-CG2 4.04Å; F241-I246 HydrophobicContact CE1-CB 3.88Å; F241-I246 HydrophobicContact CE1-CG1 4.49Å; F241-I246 HydrophobicContact CE1-CG2 3.68Å; F241-I246 HydrophobicContact CG-CB 4.39Å; F241-I246 HydrophobicContact CG-CG1 4.43Å; F241-I246 HydrophobicContact CZ-CG2 4.38Å; F241-M273 HydrophobicContact CD2-CE 3.34Å; F241-M273 HydrophobicContact CE2-CE 3.43Å; F241-M273 VanDerWaalsContact CE2-CE 3.43Å; F241-M273 HydrophobicContact CG-CE 4.07Å; F241-M273 HydrophobicContact CZ-CE 4.2Å; F241-A278 HydrophobicContact CE2-CB 3.74Å; F241-A278 HydrophobicContact CZ-CB 3.99Å
242L97Very high97.1Very high52 Ų5234.9 Ų34.927%0.27217%0.168SC..Hα-helixtrans-62.5-50.5173.3-78168.1000112.4D216 V219 A222 G238 F240 R244D216-L242 HydrophobicContact CB-CD2 4.36Å; D216-L242 HydrophobicContact CB-CG 3.97Å; V219-L242 HydrophobicContact CB-CD2 3.83Å; V219-L242 HydrophobicContact CG1-CD2 4.15Å; V219-L242 HydrophobicContact CG2-CD2 3.63Å; A222-L242 HydrophobicContact CB-CD2 3.91Å; A222-L242 HydrophobicContact CB-CG 4.48Å; G238-L242 WeakPolarHBondContact O-CB 3.41Å; G238-L242 VanDerWaalsContact O-CG 3.32Å; G238-L242 WeakPolarHBondContact O-CG 3.24Å; G238-L242 PolarHBondContact O-N 3.18Å; F240-L242 VanDerWaalsContact C-N 3.29Å; F240-L242 PolarHBondContact O-N 3.24Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 3.31Å
243Q96.9Very high97.1Very high140 Ų14035.8 Ų35.865%0.65417%0.173SC*.Hα-helixtrans-64.4-32.5-176.7-73168.929.500112.9D239 F240D239-Q243 WeakPolarHBondContact O-CB 3.46Å; D239-Q243 WeakPolarHBondContact O-CG 3.5Å; D239-Q243 PolarHBondContact O-N 3.19Å; F240-Q243 PolarHBondContact O-N 3.4Å
244R97.8Very high97Very high59 Ų5937.3 Ų37.322%0.22318%0.182CC..Hα-helixtrans-104.3-8.4-172.6-62.3173.6-179.6165.32.2113.9F240 L242 I246 E272 M273 D275F240-R244 VanDerWaalsContact CD1-NH2 3.32Å; F240-R244 VanDerWaalsContact CE1-NH2 3.33Å; F240-R244 WeakPolarHBondContact O-CB 3.31Å; F240-R244 WeakPolarHBondContact O-CG 3.11Å; F240-R244 PolarHBondContact O-N 3.32Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 3.31Å; R244-I246 HydrophobicContact CB-CD1 3.63Å; R244-I246 HydrophobicContact CB-CG1 3.93Å; R244-I246 PolarHBondContact O-N 2.97Å; R244-E272 VanDerWaalsContact CZ-O 3.27Å; R244-E272 PolarHBondContact NH1-O 2.69Å; R244-M273 VanDerWaalsContact CD-SD 3.59Å; R244-M273 PolarHBondContact NH1-SD 3.24Å; R244-D275 IonicContact CZ-OD1 3.49Å; R244-D275 IonicContact CZ-OD2 3.82Å; R244-D275 IonicContact NH1-OD1 3.26Å; R244-D275 PolarHBondContact NH1-OD1 2.85Å; R244-D275 IonicContact NH1-OD2 3.57Å; R244-D275 VanDerWaalsContact NH2-CG 3.31Å; R244-D275 IonicContact NH2-OD1 2.83Å; R244-D275 PolarHBondContact NH2-OD1 2.82Å; R244-D275 IonicContact NH2-OD2 3.83Å; R244-D275 PolarHBondContact NH2-OD2 3.47Å
245N97.8Very high97Very high76 Ų7640.2 Ų40.241%0.40620%0.196SC..THydrogen-bonded Turntrans51.150.2-177.2-64.5-64.5000112.6G221 F241 C247 Y248 R249G221-N245 CarbonylContact O-C 3.59Å; G221-N245 WeakPolarHBondContact O-CA 3.23Å; F241-N245 WeakPolarHBondContact O-CA 3.39Å; F241-N245 PolarHBondContact O-N 2.91Å; N245-C247 PolarHBondContact O-N 2.93Å; N245-Y248 PolarHBondContact O-N 3Å; N245-R249 WeakPolarHBondContact O-CB 3.4Å; N245-R249 PolarHBondContact O-N 3.36Å
246I98.3Very high97.1Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-60.1-41.6-165.5-67.2-62.1000113.7F241 R244 Y248 R249 V250 A268 E272 M273 L280F241-I246 HydrophobicContact CD1-CB 3.67Å; F241-I246 HydrophobicContact CD1-CG1 4.19Å; F241-I246 HydrophobicContact CD1-CG2 4.04Å; F241-I246 HydrophobicContact CE1-CB 3.88Å; F241-I246 HydrophobicContact CE1-CG1 4.49Å; F241-I246 HydrophobicContact CE1-CG2 3.68Å; F241-I246 HydrophobicContact CG-CB 4.39Å; F241-I246 HydrophobicContact CG-CG1 4.43Å; F241-I246 HydrophobicContact CZ-CG2 4.38Å; R244-I246 HydrophobicContact CB-CD1 3.63Å; R244-I246 HydrophobicContact CB-CG1 3.93Å; R244-I246 PolarHBondContact O-N 2.97Å; I246-Y248 PolarHBondContact O-N 3.05Å; I246-R249 WeakPolarHBondContact O-CB 3.4Å; I246-R249 PolarHBondContact O-N 2.94Å; I246-V250 PolarHBondContact O-N 3.4Å; I246-V250 VanDerWaalsContact O-N 3.11Å; I246-A268 HydrophobicContact CG2-CB 4.29Å; I246-E272 HydrophobicContact CD1-CB 4.31Å; I246-M273 HydrophobicContact CD1-CG 3.51Å; I246-M273 HydrophobicContact CD1-SD 3.56Å; I246-M273 VanDerWaalsContact CD1-SD 3.56Å; I246-M273 HydrophobicContact CG1-CE 4.07Å; I246-M273 HydrophobicContact CG1-CG 3.81Å; I246-M273 HydrophobicContact CG1-SD 3.55Å; I246-M273 VanDerWaalsContact CG1-SD 3.55Å; I246-L280 HydrophobicContact CG2-CD2 4.2Å
247C98.7Very high97.3Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-65.5-40.5179.6-69.50000112.2G221 A222 G223 F225 V232 N245G221-C247 PolarHBondContact O-N 3.09Å; A222-C247 WeakPolarHBondContact O-CB 3.39Å; A222-C247 PolarHBondContact O-N 2.82Å; A222-C247 PolarHBondContact O-SG 2.76Å; G223-C247 PolarHBondContact O-SG 3.23Å; F225-C247 HydrophobicContact CB-CB 3.76Å; V232-C247 HydrophobicContact CB-CB 4.12Å; V232-C247 HydrophobicContact CG1-CB 4.15Å; N245-C247 PolarHBondContact O-N 2.93Å
248Y98.6Very high97.5Very high90 Ų9053.8 Ų53.835%0.35325%0.254SS..Hα-helixtrans-70.8-33.4172.4179.3-110.3000112.1G221 F225 N245 I246 V250 A251 A252G221-Y248 PolarHBondContact O-N 3.31Å; F225-Y248 HydrophobicContact CD2-CD2 4.04Å; F225-Y248 HydrophobicContact CE1-CD2 4.19Å; F225-Y248 AromaticContact CE2-CD2 3.5Å; F225-Y248 HydrophobicContact CE2-CD2 3.5Å; F225-Y248 HydrophobicContact CE2-CE2 4.19Å; F225-Y248 HydrophobicContact CE2-CG 4.45Å; F225-Y248 AromaticContact CZ-CD2 3.59Å; F225-Y248 HydrophobicContact CZ-CD2 3.59Å; F225-Y248 AromaticContact CZ-CE2 3.99Å; F225-Y248 HydrophobicContact CZ-CE2 3.99Å; N245-Y248 PolarHBondContact O-N 3Å; I246-Y248 PolarHBondContact O-N 3.05Å; Y248-V250 VanDerWaalsContact C-N 3.31Å; Y248-V250 PolarHBondContact O-N 2.86Å; Y248-A251 HydrophobicContact CD2-CB 4.36Å; Y248-A251 CarbonylContact O-C 3.45Å; Y248-A251 WeakPolarHBondContact O-CA 3.46Å; Y248-A251 WeakPolarHBondContact O-CB 3.26Å; Y248-A251 PolarHBondContact O-N 2.94Å; Y248-A252 HydrophobicContact CE1-CB 4.33Å; Y248-A252 PolarHBondContact O-N 3.25Å
249R98.3Very high97.7Very high102 Ų10256.5 Ų56.539%0.38527%0.267SS..Hα-helixtrans-56.4-46.1176.6176.36569.6-171.6-5.6111.2N245 I246 A251 A252 L253 E272N245-R249 WeakPolarHBondContact O-CB 3.4Å; N245-R249 PolarHBondContact O-N 3.36Å; I246-R249 WeakPolarHBondContact O-CB 3.4Å; I246-R249 PolarHBondContact O-N 2.94Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.91Å; R249-A252 PolarHBondContact O-N 3.13Å; R249-L253 HydrophobicContact CG-CD1 4.07Å; R249-L253 HydrophobicContact CG-CG 4.37Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.72Å; R249-E272 WeakPolarHBondContact CD-OE1 3.43Å; R249-E272 VanDerWaalsContact CG-OE1 3.26Å; R249-E272 WeakPolarHBondContact CG-OE1 3.35Å; R249-E272 WeakPolarHBondContact CG-OE2 3.04Å; R249-E272 IonicContact CZ-OE2 3.34Å; R249-E272 IonicContact NE-OE1 3.72Å; R249-E272 PolarHBondContact NE-OE1 3.03Å; R249-E272 IonicContact NE-OE2 2.7Å; R249-E272 PolarHBondContact NE-OE2 3.05Å; R249-E272 VanDerWaalsContact NE-OE2 3.13Å
250V98.8Very high97.9Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-55.8-47174.2172.40000110.5L230 V232 I246 Y248 A252 L253 V254 L261 A264 A268 L280L230-V250 HydrophobicContact CD2-CG1 4.48Å; V232-V250 HydrophobicContact CG2-CB 4.1Å; V232-V250 HydrophobicContact CG2-CG1 3.87Å; I246-V250 PolarHBondContact O-N 3.4Å; I246-V250 VanDerWaalsContact O-N 3.11Å; Y248-V250 VanDerWaalsContact C-N 3.31Å; Y248-V250 PolarHBondContact O-N 2.86Å; V250-A252 PolarHBondContact O-N 2.86Å; V250-L253 PolarHBondContact O-N 2.68Å; V250-V254 WeakPolarHBondContact O-CG2 3.43Å; V250-V254 PolarHBondContact O-N 3.36Å; V250-V254 VanDerWaalsContact O-N 3.08Å; V250-L261 HydrophobicContact CG1-CD1 4.25Å; V250-A264 HydrophobicContact CG1-CB 4.24Å; V250-A268 HydrophobicContact CG2-CB 3.74Å; V250-L280 HydrophobicContact CG2-CD2 3.94Å
251A98.5Very high98.1Very high0 Ų054.2 Ų54.20%026%0.261CS..Hα-helixtrans-59-45.5176.400000112.7F225 L230 Y248 R249 L253 V254 E255F225-A251 HydrophobicContact CD1-CB 3.64Å; F225-A251 HydrophobicContact CE1-CB 3.41Å; F225-A251 VanDerWaalsContact CE1-CB 3.41Å; F225-A251 HydrophobicContact CZ-CB 4.3Å; L230-A251 HydrophobicContact CD1-CB 3.92Å; Y248-A251 HydrophobicContact CD2-CB 4.36Å; Y248-A251 CarbonylContact O-C 3.45Å; Y248-A251 WeakPolarHBondContact O-CA 3.46Å; Y248-A251 WeakPolarHBondContact O-CB 3.26Å; Y248-A251 PolarHBondContact O-N 2.94Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.91Å; A251-L253 PolarHBondContact O-N 3.24Å; A251-V254 PolarHBondContact O-N 3.18Å; A251-E255 VanDerWaalsContact O-CB 3.24Å; A251-E255 WeakPolarHBondContact O-CB 3.31Å; A251-E255 PolarHBondContact O-N 3.36Å
252A98.5Very high98.1Very high14 Ų1459.5 Ų59.512%0.11628%0.284CS..Hα-helixtrans-65.5-38179.500000112.5Y248 R249 V250 Y256 A257Y248-A252 HydrophobicContact CE1-CB 4.33Å; Y248-A252 PolarHBondContact O-N 3.25Å; R249-A252 PolarHBondContact O-N 3.13Å; V250-A252 PolarHBondContact O-N 2.86Å; A252-Y256 HydrophobicContact CB-CD2 3.88Å; A252-Y256 HydrophobicContact CB-CE2 4.17Å; A252-Y256 WeakPolarHBondContact O-CA 3.48Å; A252-Y256 VanDerWaalsContact O-CB 3.31Å; A252-Y256 WeakPolarHBondContact O-CB 3.47Å; A252-Y256 PolarHBondContact O-N 3.4Å; A252-A257 PolarHBondContact O-N 3.44Å
253L98.6Very high98.2Very high20 Ų2062.1 Ų62.111%0.10530%0.295CS..Hα-helixtrans-65.3-42176.1-72.1173.7000111.6R249 V250 A251 A257 K258 M259 A264 H267R249-L253 HydrophobicContact CG-CD1 4.07Å; R249-L253 HydrophobicContact CG-CG 4.37Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.72Å; V250-L253 PolarHBondContact O-N 2.68Å; A251-L253 PolarHBondContact O-N 3.24Å; L253-A257 HydrophobicContact CD2-CB 4.36Å; L253-A257 CarbonylContact O-C 3.51Å; L253-A257 WeakPolarHBondContact O-CA 3.32Å; L253-A257 VanDerWaalsContact O-CB 3.28Å; L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 3.26Å; L253-K258 PolarHBondContact O-N 3.27Å; L253-K258 VanDerWaalsContact O-N 3.14Å; L253-M259 HydrophobicContact CB-SD 4.03Å; L253-M259 HydrophobicContact CD1-SD 4.38Å; L253-M259 HydrophobicContact CD2-CE 4.15Å; L253-M259 HydrophobicContact CD2-SD 3.97Å; L253-M259 HydrophobicContact CG-SD 4.35Å; L253-M259 PolarHBondContact O-N 2.9Å; L253-A264 HydrophobicContact CB-CB 3.69Å; L253-A264 HydrophobicContact CD1-CB 4.31Å; L253-H267 HydrophobicContact CD1-CB 4.24Å
254V98.5Very high98.3Very high31 Ų3155.4 Ų55.419%0.18826%0.264CS..Hα-helixtrans-68.3-48.8174.7175.90000111.1L230 V250 A251 K258 L261 A264L230-V254 HydrophobicContact CD2-CB 3.78Å; L230-V254 HydrophobicContact CD2-CG1 4.02Å; L230-V254 HydrophobicContact CD2-CG2 3.64Å; V250-V254 WeakPolarHBondContact O-CG2 3.43Å; V250-V254 PolarHBondContact O-N 3.36Å; V250-V254 VanDerWaalsContact O-N 3.08Å; A251-V254 PolarHBondContact O-N 3.18Å; V254-K258 WeakPolarHBondContact O-CA 3.43Å; V254-K258 PolarHBondContact O-N 3.39Å; V254-L261 HydrophobicContact CG2-CD1 4.44Å; V254-A264 HydrophobicContact CG2-CB 3.58Å
255E97.6Very high98.3Very high61 Ų6152.6 Ų52.629%0.28525%0.253SS..Hα-helixtrans-72.8-46.4-172.2-170.7177.1154.200112.6L229 A251 K258L229-E255 HydrophobicContact CD1-CB 4.02Å; L229-E255 HydrophobicContact CD1-CG 3.92Å; A251-E255 VanDerWaalsContact O-CB 3.24Å; A251-E255 WeakPolarHBondContact O-CB 3.31Å; A251-E255 PolarHBondContact O-N 3.36Å; E255-K258 WeakPolarHBondContact O-CE 3.37Å; E255-K258 PolarHBondContact O-NZ 2.76Å
256Y98.3Very high98.4Very high142 Ų14252.1 Ų52.156%0.55725%0.249SC*.THydrogen-bonded Turntrans-100.3-41.3-171.5-53-44.4000112.7A252 K258A252-Y256 HydrophobicContact CB-CD2 3.88Å; A252-Y256 HydrophobicContact CB-CE2 4.17Å; A252-Y256 WeakPolarHBondContact O-CA 3.48Å; A252-Y256 VanDerWaalsContact O-CB 3.31Å; A252-Y256 WeakPolarHBondContact O-CB 3.47Å; A252-Y256 PolarHBondContact O-N 3.4Å; Y256-K258 VanDerWaalsContact C-N 3.34Å
257A97.8Very high98.4Very high57 Ų5755.2 Ų55.247%0.47126%0.263SS..THydrogen-bonded Turntrans-86.5-4.3177.900000113.6A252 L253 M259A252-A257 PolarHBondContact O-N 3.44Å; L253-A257 HydrophobicContact CD2-CB 4.36Å; L253-A257 CarbonylContact O-C 3.51Å; L253-A257 WeakPolarHBondContact O-CA 3.32Å; L253-A257 VanDerWaalsContact O-CB 3.28Å; L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 3.26Å; A257-M259 HydrophobicContact CB-CE 4.47Å; A257-M259 HydrophobicContact CB-CG 4.3Å; A257-M259 PolarHBondContact O-N 3.42Å
258K97.6Very high98.4Very high166 Ų16655.2 Ų55.272%0.72226%0.263SS*.  trans57.826.3177.9-51-55.4-177-169.80113.8L253 V254 E255 Y256L253-K258 PolarHBondContact O-N 3.27Å; L253-K258 VanDerWaalsContact O-N 3.14Å; V254-K258 WeakPolarHBondContact O-CA 3.43Å; V254-K258 PolarHBondContact O-N 3.39Å; E255-K258 WeakPolarHBondContact O-CE 3.37Å; E255-K258 PolarHBondContact O-NZ 2.76Å; Y256-K258 VanDerWaalsContact C-N 3.34Å
259M98.1Very high98.4Very high59 Ų5950.9 Ų50.929%0.29125%0.246SC..  trans-68.1150.9170.8-67.7-177.1179.100110.1L253 A257 E263 A264L253-M259 HydrophobicContact CB-SD 4.03Å; L253-M259 HydrophobicContact CD1-SD 4.38Å; L253-M259 HydrophobicContact CD2-CE 4.15Å; L253-M259 HydrophobicContact CD2-SD 3.97Å; L253-M259 HydrophobicContact CG-SD 4.35Å; L253-M259 PolarHBondContact O-N 2.9Å; A257-M259 HydrophobicContact CB-CE 4.47Å; A257-M259 HydrophobicContact CB-CG 4.3Å; A257-M259 PolarHBondContact O-N 3.42Å; M259-E263 HydrophobicContact CB-CB 4.08Å; M259-E263 HydrophobicContact CG-CB 4.5Å; M259-A264 HydrophobicContact CB-CB 4.21Å
260S98.2Very high98.3Very high57 Ų5750.7 Ų50.740%0.39925%0.248SC..  trans-63.2160.4163.764.60000110.7K262 E263 A264S260-K262 PolarHBondContact O-N 3.18Å; S260-E263 WeakPolarHBondContact CB-OE2 3.42Å; S260-E263 PolarHBondContact N-OE2 3.48Å; S260-E263 PolarHBondContact O-N 3.23Å; S260-E263 WeakPolarHBondContact OG-CB 3.3Å; S260-E263 WeakPolarHBondContact OG-CG 3.07Å; S260-E263 PolarHBondContact OG-N 3.15Å; S260-E263 PolarHBondContact OG-OE2 3.17Å; S260-A264 WeakPolarHBondContact O-CB 3.5Å; S260-A264 PolarHBondContact O-N 3.33Å
261L98.5Very high98.3Very high12 Ų1255 Ų556%0.06327%0.274CS..Hα-helixtrans-54.6-44.3175.6-177.266.4000111.1L230 V250 V254 A264 C265 A282 D284 N288 V290L230-L261 HydrophobicContact CB-CD1 4.36Å; L230-L261 HydrophobicContact CD2-CD1 3.86Å; V250-L261 HydrophobicContact CG1-CD1 4.25Å; V254-L261 HydrophobicContact CG2-CD1 4.44Å; L261-A264 PolarHBondContact O-N 2.85Å; L261-C265 WeakPolarHBondContact O-CB 3.34Å; L261-C265 PolarHBondContact O-N 3.21Å; L261-C265 PolarHBondContact O-SG 3.35Å; L261-A282 HydrophobicContact CD1-CB 3.96Å; L261-A282 HydrophobicContact CD2-CB 4.26Å; L261-A282 HydrophobicContact CG-CB 4.37Å; L261-D284 HydrophobicContact CD2-CB 3.97Å; L261-N288 VanDerWaalsContact CD2-O 3.3Å; L261-N288 WeakPolarHBondContact CD2-O 3.47Å; L261-V290 HydrophobicContact CB-CG2 4.4Å; L261-V290 HydrophobicContact CD2-CB 4.43Å; L261-V290 HydrophobicContact CD2-CG2 3.77Å; L261-V290 HydrophobicContact CG-CB 4.48Å; L261-V290 HydrophobicContact CG-CG2 3.87Å
262K98.5Very high98.3Very high111 Ų11157.1 Ų57.148%0.48328%0.284SS..Hα-helixtrans-60.3-51.3179.1-175.6177.1-179.9-68.20112.1S260 A264 C265 E266 V290S260-K262 PolarHBondContact O-N 3.18Å; K262-A264 VanDerWaalsContact C-N 3.34Å; K262-A264 PolarHBondContact O-N 2.65Å; K262-C265 PolarHBondContact O-N 3.16Å; K262-E266 VanDerWaalsContact CE-OE1 3.29Å; K262-E266 WeakPolarHBondContact CE-OE1 3.17Å; K262-E266 HydrophobicContact CG-CG 4.37Å; K262-E266 IonicContact NZ-OE1 2.8Å; K262-E266 PolarHBondContact NZ-OE1 3.48Å; K262-E266 IonicContact NZ-OE2 3.03Å; K262-E266 PolarHBondContact NZ-OE2 3Å; K262-E266 WeakPolarHBondContact O-CB 3.42Å; K262-E266 VanDerWaalsContact O-CG 3.31Å; K262-E266 WeakPolarHBondContact O-CG 3.27Å; K262-E266 PolarHBondContact O-N 3.31Å; K262-V290 HydrophobicContact CB-CG2 4.25Å; K262-V290 HydrophobicContact CG-CG1 4.43Å
263E98.6Very high98.1Very high107 Ų10756.4 Ų56.450%0.528%0.278SS..Hα-helixtrans-60.6-42.9179.2-72162.2145.500111.9M259 S260 H267M259-E263 HydrophobicContact CB-CB 4.08Å; M259-E263 HydrophobicContact CG-CB 4.5Å; S260-E263 WeakPolarHBondContact CB-OE2 3.42Å; S260-E263 PolarHBondContact N-OE2 3.48Å; S260-E263 PolarHBondContact O-N 3.23Å; S260-E263 WeakPolarHBondContact OG-CB 3.3Å; S260-E263 WeakPolarHBondContact OG-CG 3.07Å; S260-E263 PolarHBondContact OG-N 3.15Å; S260-E263 PolarHBondContact OG-OE2 3.17Å; E263-H267 VanDerWaalsContact O-CB 3.27Å; E263-H267 WeakPolarHBondContact O-CB 3.49Å; E263-H267 PolarHBondContact O-N 3.37Å
264A98.7Very high98Very high0 Ų058.8 Ų58.80%030%0.301CS..Hα-helixtrans-64-45.6178.700000112.2V250 L253 V254 M259 S260 L261 K262 A268V250-A264 HydrophobicContact CG1-CB 4.24Å; L253-A264 HydrophobicContact CB-CB 3.69Å; L253-A264 HydrophobicContact CD1-CB 4.31Å; V254-A264 HydrophobicContact CG2-CB 3.58Å; M259-A264 HydrophobicContact CB-CB 4.21Å; S260-A264 WeakPolarHBondContact O-CB 3.5Å; S260-A264 PolarHBondContact O-N 3.33Å; L261-A264 PolarHBondContact O-N 2.85Å; K262-A264 VanDerWaalsContact C-N 3.34Å; K262-A264 PolarHBondContact O-N 2.65Å; A264-A268 WeakPolarHBondContact O-CB 3.43Å; A264-A268 PolarHBondContact O-N 3.05Å
265C98.7Very high97.7Very high0 Ų062.4 Ų62.40%032%0.319CS..Hα-helixtrans-65.8-43.1177.8-68.40000112L261 K262 A268 I269 L280 A282 V290 P292L261-C265 WeakPolarHBondContact O-CB 3.34Å; L261-C265 PolarHBondContact O-N 3.21Å; L261-C265 PolarHBondContact O-SG 3.35Å; K262-C265 PolarHBondContact O-N 3.16Å; C265-A268 PolarHBondContact O-N 2.84Å; C265-I269 WeakPolarHBondContact O-CG1 3.41Å; C265-I269 PolarHBondContact O-N 3.2Å; C265-L280 HydrophobicContact CB-CD1 4.02Å; C265-A282 VanDerWaalsContact SG-CB 3.56Å; C265-V290 HydrophobicContact CB-CB 4.49Å; C265-V290 HydrophobicContact CB-CG1 3.95Å; C265-P292 HydrophobicContact CB-CG 3.57Å
266E98.5Very high97.4Very high66 Ų6660.1 Ų60.131%0.30831%0.31SS..Hα-helixtrans-65.7-40.1177-72.7-179155.500111.8K262 I269 F270K262-E266 VanDerWaalsContact CE-OE1 3.29Å; K262-E266 WeakPolarHBondContact CE-OE1 3.17Å; K262-E266 HydrophobicContact CG-CG 4.37Å; K262-E266 IonicContact NZ-OE1 2.8Å; K262-E266 PolarHBondContact NZ-OE1 3.48Å; K262-E266 IonicContact NZ-OE2 3.03Å; K262-E266 PolarHBondContact NZ-OE2 3Å; K262-E266 WeakPolarHBondContact O-CB 3.42Å; K262-E266 VanDerWaalsContact O-CG 3.31Å; K262-E266 WeakPolarHBondContact O-CG 3.27Å; K262-E266 PolarHBondContact O-N 3.31Å; E266-I269 PolarHBondContact O-N 3.17Å; E266-F270 HydrophobicContact CB-CD2 3.95Å; E266-F270 HydrophobicContact CB-CE2 4.33Å; E266-F270 HydrophobicContact CG-CD2 4.14Å; E266-F270 HydrophobicContact CG-CE2 4.01Å; E266-F270 VanDerWaalsContact O-CB 3.31Å; E266-F270 WeakPolarHBondContact O-CB 3.38Å; E266-F270 WeakPolarHBondContact O-CD2 3.45Å; E266-F270 PolarHBondContact O-N 2.76Å
267H98.6Very high97Very high64 Ų6457.7 Ų57.730%0.29630%0.304SS..Hα-helixtrans-62.1-47.5174.2-170.783.5000111.5L253 E263 I269 V271 E272L253-H267 HydrophobicContact CD1-CB 4.24Å; E263-H267 VanDerWaalsContact O-CB 3.27Å; E263-H267 WeakPolarHBondContact O-CB 3.49Å; E263-H267 PolarHBondContact O-N 3.37Å; H267-I269 VanDerWaalsContact C-N 3.35Å; H267-I269 PolarHBondContact O-N 3.1Å; H267-V271 WeakPolarHBondContact O-CA 3.41Å; H267-V271 VanDerWaalsContact O-CB 3.22Å; H267-V271 WeakPolarHBondContact O-CB 3.48Å; H267-V271 PolarHBondContact O-N 2.95Å; H267-E272 IonicContact CD2-OE1 3.53Å; H267-E272 IonicContact NE2-OE1 3.8Å; H267-E272 PolarHBondContact O-N 3.32Å
268A98.5Very high96.9Very high0 Ų055 Ų550%028%0.281CS..Iπ-helixtrans-59.3-44.3179.100000112.1I246 V250 A264 C265 E272 M273I246-A268 HydrophobicContact CG2-CB 4.29Å; V250-A268 HydrophobicContact CG2-CB 3.74Å; A264-A268 WeakPolarHBondContact O-CB 3.43Å; A264-A268 PolarHBondContact O-N 3.05Å; C265-A268 PolarHBondContact O-N 2.84Å; A268-E272 WeakPolarHBondContact O-CB 3.15Å; A268-M273 WeakPolarHBondContact O-CB 3.32Å; A268-M273 VanDerWaalsContact O-CG 3.23Å; A268-M273 WeakPolarHBondContact O-CG 3.22Å; A268-M273 PolarHBondContact O-N 3.07Å
269I98.1Very high96.9Very high0 Ų047.1 Ų47.10%025%0.247CC..Iπ-helixtrans-82.8-45.4-175.2-65-57.6000113.3C265 E266 H267 M273 A278 L280 P292 N294C265-I269 WeakPolarHBondContact O-CG1 3.41Å; C265-I269 PolarHBondContact O-N 3.2Å; E266-I269 PolarHBondContact O-N 3.17Å; H267-I269 VanDerWaalsContact C-N 3.35Å; H267-I269 PolarHBondContact O-N 3.1Å; I269-M273 CarbonylContact O-C 3.36Å; I269-A278 HydrophobicContact CD1-CB 3.89Å; I269-L280 HydrophobicContact CD1-CB 4.47Å; I269-L280 HydrophobicContact CD1-CD2 3.68Å; I269-L280 HydrophobicContact CD1-CG 3.9Å; I269-L280 HydrophobicContact CG1-CD2 3.8Å; I269-L280 HydrophobicContact CG1-CG 3.89Å; I269-P292 HydrophobicContact CB-CB 4.23Å; I269-P292 HydrophobicContact CB-CG 4.46Å; I269-P292 HydrophobicContact CG1-CB 4.16Å; I269-P292 HydrophobicContact CG1-CG 3.95Å; I269-P292 HydrophobicContact CG2-CB 4.38Å; I269-N294 HydrophobicContact CG2-CB 4.03Å; I269-N294 PolarHBondContact O-ND2 3.05Å
270F98Very high96.9Very high98 Ų9844.3 Ų44.343%0.4323%0.233SC..Iπ-helixtrans-95.3-11.1-171.7-57.7-56.2000114.1E266 A274 P292 F293 N294E266-F270 HydrophobicContact CB-CD2 3.95Å; E266-F270 HydrophobicContact CB-CE2 4.33Å; E266-F270 HydrophobicContact CG-CD2 4.14Å; E266-F270 HydrophobicContact CG-CE2 4.01Å; E266-F270 VanDerWaalsContact O-CB 3.31Å; E266-F270 WeakPolarHBondContact O-CB 3.38Å; E266-F270 WeakPolarHBondContact O-CD2 3.45Å; E266-F270 PolarHBondContact O-N 2.76Å; F270-A274 WeakPolarHBondContact O-CB 3.44Å; F270-P292 HydrophobicContact CE2-CB 3.94Å; F270-P292 HydrophobicContact CZ-CB 4.09Å; F270-F293 VanDerWaalsContact CE1-O 3.28Å; F270-F293 WeakPolarHBondContact CE1-O 3.42Å; F270-N294 HydrophobicContact CD1-CB 4.13Å; F270-N294 HydrophobicContact CE1-CB 4.15Å
271V98.2Very high96.9Very high90 Ų9041.6 Ų41.655%0.54521%0.214SC..Iπ-helixtrans-115.5-60.2175.9-173.10000110.4H267 M273H267-V271 WeakPolarHBondContact O-CA 3.41Å; H267-V271 VanDerWaalsContact O-CB 3.22Å; H267-V271 WeakPolarHBondContact O-CB 3.48Å; H267-V271 PolarHBondContact O-N 2.95Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 2.5Å
272E97.2Very high96.9Very high44 Ų4441 Ų4121%0.20621%0.211CC..Iπ-helixtrans-72.8-24.8-175.9-66.4-168.1-142.200113.4R244 I246 R249 H267 A268R244-E272 VanDerWaalsContact CZ-O 3.27Å; R244-E272 PolarHBondContact NH1-O 2.69Å; I246-E272 HydrophobicContact CD1-CB 4.31Å; R249-E272 WeakPolarHBondContact CD-OE1 3.43Å; R249-E272 VanDerWaalsContact CG-OE1 3.26Å; R249-E272 WeakPolarHBondContact CG-OE1 3.35Å; R249-E272 WeakPolarHBondContact CG-OE2 3.04Å; R249-E272 IonicContact CZ-OE2 3.34Å; R249-E272 IonicContact NE-OE1 3.72Å; R249-E272 PolarHBondContact NE-OE1 3.03Å; R249-E272 IonicContact NE-OE2 2.7Å; R249-E272 PolarHBondContact NE-OE2 3.05Å; R249-E272 VanDerWaalsContact NE-OE2 3.13Å; H267-E272 IonicContact CD2-OE1 3.53Å; H267-E272 IonicContact NE2-OE1 3.8Å; H267-E272 PolarHBondContact O-N 3.32Å; A268-E272 WeakPolarHBondContact O-CB 3.15Å
273M95.8Very high96.9Very high0 Ų035.7 Ų35.70%019%0.188CC..THydrogen-bonded Turntrans-113.816-179.8-62.7-67.5-82.400113.5F240 F241 R244 I246 A268 I269 V271 D275 C276 A278 N294F240-M273 HydrophobicContact CB-CE 3.78Å; F240-M273 HydrophobicContact CB-SD 4.17Å; F241-M273 HydrophobicContact CD2-CE 3.34Å; F241-M273 HydrophobicContact CE2-CE 3.43Å; F241-M273 VanDerWaalsContact CE2-CE 3.43Å; F241-M273 HydrophobicContact CG-CE 4.07Å; F241-M273 HydrophobicContact CZ-CE 4.2Å; R244-M273 VanDerWaalsContact CD-SD 3.59Å; R244-M273 PolarHBondContact NH1-SD 3.24Å; I246-M273 HydrophobicContact CD1-CG 3.51Å; I246-M273 HydrophobicContact CD1-SD 3.56Å; I246-M273 VanDerWaalsContact CD1-SD 3.56Å; I246-M273 HydrophobicContact CG1-CE 4.07Å; I246-M273 HydrophobicContact CG1-CG 3.81Å; I246-M273 HydrophobicContact CG1-SD 3.55Å; I246-M273 VanDerWaalsContact CG1-SD 3.55Å; A268-M273 WeakPolarHBondContact O-CB 3.32Å; A268-M273 VanDerWaalsContact O-CG 3.23Å; A268-M273 WeakPolarHBondContact O-CG 3.22Å; A268-M273 PolarHBondContact O-N 3.07Å; I269-M273 CarbonylContact O-C 3.36Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 2.5Å; M273-D275 PolarHBondContact O-N 2.87Å; M273-D275 VanDerWaalsContact O-N 3.08Å; M273-C276 WeakPolarHBondContact CE-SG 3.48Å; M273-C276 PolarHBondContact O-N 3.3Å; M273-A278 HydrophobicContact CB-CB 3.7Å; M273-A278 HydrophobicContact CE-CB 3.87Å; M273-A278 HydrophobicContact CG-CB 4.14Å; M273-N294 PolarHBondContact O-ND2 3.26Å
274A95.8Very high96.9Very high70 Ų7031.8 Ų31.858%0.57917%0.17SC*.THydrogen-bonded Turntrans-61.5-20.7-174.300000114.9F270F270-A274 WeakPolarHBondContact O-CB 3.44Å
275D92.2Very high96.7Very high106 Ų10632.5 Ų32.557%0.56718%0.178SC*.THydrogen-bonded Turntrans-97.23.8-176.964-21.4000114.2R244 M273R244-D275 IonicContact CZ-OD1 3.49Å; R244-D275 IonicContact CZ-OD2 3.82Å; R244-D275 IonicContact NH1-OD1 3.26Å; R244-D275 PolarHBondContact NH1-OD1 2.85Å; R244-D275 IonicContact NH1-OD2 3.57Å; R244-D275 VanDerWaalsContact NH2-CG 3.31Å; R244-D275 IonicContact NH2-OD1 2.83Å; R244-D275 PolarHBondContact NH2-OD1 2.82Å; R244-D275 IonicContact NH2-OD2 3.83Å; R244-D275 PolarHBondContact NH2-OD2 3.47Å; M273-D275 PolarHBondContact O-N 2.87Å; M273-D275 VanDerWaalsContact O-N 3.08Å
276C90.8Very high96.5Very high14 Ų1438 Ų3810%0.09521%0.207CC..SBendtrans-145.3168.3178600000111.5D237 F240 M273 A278 N294D237-C276 HydrophobicContact CB-CB 4.2Å; F240-C276 HydrophobicContact CD2-CB 3.69Å; F240-C276 HydrophobicContact CE2-CB 3.94Å; F240-C276 HydrophobicContact CG-CB 4.07Å; M273-C276 WeakPolarHBondContact CE-SG 3.48Å; M273-C276 PolarHBondContact O-N 3.3Å; C276-A278 PolarHBondContact O-N 2.98Å; C276-N294 PolarHBondContact O-ND2 2.97Å; C276-N294 PolarHBondContact O-OD1 3.37Å
277H91.2Very high96.4Very high91 Ų9134.9 Ų34.942%0.42119%0.193SC..  trans-76.6124.8175.9-64.2136.7000110.6I16 G236 D237 T295I16-H277 VanDerWaalsContact CG1-CE1 3.48Å; I16-H277 WeakPolarHBondContact CG1-CE1 3.27Å; G236-H277 CarbonylContact C-O 3.49Å; G236-H277 VanDerWaalsContact CA-O 3.24Å; G236-H277 WeakPolarHBondContact CA-O 3.41Å; D237-H277 PolarHBondContact N-O 2.79Å; H277-T295 HydrophobicContact CB-CG2 3.57Å
278A94.6Very high96.3Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-152.2146.8-178.200000112.5T235 F241 I269 M273 C276 F293 N294T235-A278 CarbonylContact O-C 3.51Å; F241-A278 HydrophobicContact CE2-CB 3.74Å; F241-A278 HydrophobicContact CZ-CB 3.99Å; I269-A278 HydrophobicContact CD1-CB 3.89Å; M273-A278 HydrophobicContact CB-CB 3.7Å; M273-A278 HydrophobicContact CE-CB 3.87Å; M273-A278 HydrophobicContact CG-CB 4.14Å; C276-A278 PolarHBondContact O-N 2.98Å; A278-F293 CarbonylContact O-C 3.58Å; A278-F293 VanDerWaalsContact O-CA 3.31Å; A278-F293 WeakPolarHBondContact O-CA 3.45Å; A278-N294 PolarHBondContact N-OD1 3.13Å; A278-N294 PolarHBondContact O-N 3.27Å; A278-N294 PolarHBondContact O-OD1 2.93Å; A278-N294 VanDerWaalsContact O-OD1 3.12Å
279G97.2Very high96.3Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-152.8163.7164.600000110.2T235 P292T235-G279 PolarHBondContact N-O 3.36Å; T235-G279 PolarHBondContact O-N 3.21Å; G279-P292 VanDerWaalsContact CA-O 3.26Å; G279-P292 WeakPolarHBondContact CA-O 3.43Å
280L98.4Very high96.3Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-151.7162.4173.259.883000110.5V232 S233 I246 V250 C265 I269 A282 C291 P292V232-L280 HydrophobicContact CG1-CB 4.21Å; V232-L280 HydrophobicContact CG1-CD1 4.14Å; V232-L280 HydrophobicContact CG1-CD2 4.1Å; V232-L280 HydrophobicContact CG1-CG 4.4Å; S233-L280 CarbonylContact O-C 3.44Å; S233-L280 VanDerWaalsContact O-CA 3.24Å; S233-L280 WeakPolarHBondContact O-CA 3.45Å; S233-L280 WeakPolarHBondContact O-CB 3.48Å; I246-L280 HydrophobicContact CG2-CD2 4.2Å; V250-L280 HydrophobicContact CG2-CD2 3.94Å; C265-L280 HydrophobicContact CB-CD1 4.02Å; I269-L280 HydrophobicContact CD1-CB 4.47Å; I269-L280 HydrophobicContact CD1-CD2 3.68Å; I269-L280 HydrophobicContact CD1-CG 3.9Å; I269-L280 HydrophobicContact CG1-CD2 3.8Å; I269-L280 HydrophobicContact CG1-CG 3.89Å; L280-A282 HydrophobicContact CD1-CB 4.06Å; L280-C291 CarbonylContact O-C 3.55Å; L280-C291 VanDerWaalsContact O-CA 3.25Å; L280-C291 WeakPolarHBondContact O-CA 3.31Å; L280-P292 HydrophobicContact CD1-CG 4.04Å; L280-P292 HydrophobicContact CG-CG 4.35Å; L280-P292 PolarHBondContact N-O 3.43Å; L280-P292 WeakPolarHBondContact O-CD 3.41Å
281I98.8Very high96.3Very high0 Ų034 Ų340%020%0.2CC..EExtended strand (participates in β ladder)trans-113.7144161.264-179.2000108.4A9 H11 V189 V232 S233 V290 C291 M298 H300A9-I281 HydrophobicContact CB-CB 4.12Å; A9-I281 HydrophobicContact CB-CD1 4.05Å; A9-I281 WeakPolarHBondContact O-CD1 3.38Å; H11-I281 HydrophobicContact CB-CG2 3.96Å; V189-I281 HydrophobicContact CG1-CD1 4.36Å; V189-I281 HydrophobicContact CG1-CG1 4.11Å; V189-I281 HydrophobicContact CG2-CB 4.44Å; V189-I281 HydrophobicContact CG2-CD1 3.94Å; V189-I281 HydrophobicContact CG2-CG1 3.91Å; V232-I281 WeakPolarHBondContact CA-O 3.25Å; S233-I281 PolarHBondContact N-O 3.11Å; S233-I281 PolarHBondContact O-N 3.07Å; I281-V290 CarbonylContact C-O 3.59Å; I281-V290 WeakPolarHBondContact CA-O 3.38Å; I281-C291 HydrophobicContact CG2-CB 4.25Å; I281-M298 HydrophobicContact CG2-CE 4.18Å; I281-H300 HydrophobicContact CG2-CB 4.38Å
282A98.9Very high96.3Very high0 Ų030.2 Ų30.20%018%0.177CC..EExtended strand (participates in β ladder)trans-142.2152.9176.300000111.8A231 V232 L261 C265 L280 A289 V290A231-A282 CarbonylContact O-C 3.53Å; A231-A282 WeakPolarHBondContact O-CA 3.25Å; V232-A282 HydrophobicContact CG1-CB 4.39Å; V232-A282 HydrophobicContact CG2-CB 4.11Å; L261-A282 HydrophobicContact CD1-CB 3.96Å; L261-A282 HydrophobicContact CD2-CB 4.26Å; L261-A282 HydrophobicContact CG-CB 4.37Å; C265-A282 VanDerWaalsContact SG-CB 3.56Å; L280-A282 HydrophobicContact CD1-CB 4.06Å; A282-A289 CarbonylContact O-C 3.57Å; A282-A289 VanDerWaalsContact O-CA 3.31Å; A282-A289 WeakPolarHBondContact O-CA 3.48Å; A282-V290 PolarHBondContact N-O 3.01Å; A282-V290 PolarHBondContact O-N 2.75Å
283L98.3Very high96.3Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-141.8132.9-179.9-171.567.8000110A7 V189 L191 L197 L230 A231 N288 A289A7-L283 HydrophobicContact CB-CD1 3.66Å; A7-L283 HydrophobicContact CB-CD2 3.96Å; A7-L283 HydrophobicContact CB-CG 4.36Å; A7-L283 WeakPolarHBondContact O-CD2 3.46Å; V189-L283 HydrophobicContact CB-CB 4.32Å; V189-L283 HydrophobicContact CG2-CB 3.8Å; L191-L283 HydrophobicContact CB-CD2 3.47Å; L191-L283 VanDerWaalsContact CB-CD2 3.47Å; L191-L283 HydrophobicContact CB-CG 4.25Å; L197-L283 HydrophobicContact CD2-CB 4.42Å; L197-L283 HydrophobicContact CD2-CD2 4.18Å; L197-L283 HydrophobicContact CD2-CG 4.23Å; L230-L283 CarbonylContact C-O 3.6Å; L230-L283 WeakPolarHBondContact CA-O 3.5Å; L230-L283 WeakPolarHBondContact CB-O 3.28Å; A231-L283 PolarHBondContact N-O 2.93Å; A231-L283 PolarHBondContact O-N 3.2Å; L283-N288 WeakPolarHBondContact CA-O 3.42Å; L283-A289 HydrophobicContact CD1-CB 4.16Å
284D97.5Very high96.2Very high24 Ų2431 Ų3113%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-98.9170.5173.972.115.8000112.8L191 L229 L261 N286 G287 N288L191-D284 WeakPolarHBondContact CD2-O 3.48Å; L229-D284 CarbonylContact O-C 3.52Å; L229-D284 WeakPolarHBondContact O-CA 3.46Å; L261-D284 HydrophobicContact CD2-CB 3.97Å; D284-N286 PolarHBondContact O-N 3Å; D284-N286 WeakPolarHBondContact OD1-CA 3.16Å; D284-N286 WeakPolarHBondContact OD1-CB 3.4Å; D284-N286 PolarHBondContact OD1-N 3.24Å; D284-G287 PolarHBondContact O-N 3.48Å; D284-G287 PolarHBondContact OD1-N 2.98Å; D284-G287 VanDerWaalsContact OD1-N 3.08Å; D284-N288 PolarHBondContact N-O 3.45Å; D284-N288 WeakPolarHBondContact OD1-CB 3.35Å; D284-N288 PolarHBondContact OD1-N 3.22Å; D284-N288 PolarHBondContact OD1-ND2 3.03Å; D284-N288 PolarHBondContact OD2-ND2 2.91Å
285G95.4Very high96Very high16 Ų1627.9 Ų27.917%0.16516%0.155CC..THydrogen-bonded Turntrans-66.50.117800000116.3K5 L229K5-G285 PolarHBondContact NZ-O 3.27Å; L229-G285 PolarHBondContact O-N 3.05Å
286N94.8Very high95.8Very high114 Ų11426.9 Ų26.961%0.6115%0.15SC*.THydrogen-bonded Turntrans-100.7-6.4171.1-60.2-48.3000112.4D284D284-N286 PolarHBondContact O-N 3Å; D284-N286 WeakPolarHBondContact OD1-CA 3.16Å; D284-N286 WeakPolarHBondContact OD1-CB 3.4Å; D284-N286 PolarHBondContact OD1-N 3.24Å
287G96.4Very high95.9Very high1 Ų126.2 Ų26.21%0.0115%0.145CC..  trans87.815.3-178.900000114D284 A289 M304 P305D284-G287 PolarHBondContact O-N 3.48Å; D284-G287 PolarHBondContact OD1-N 2.98Å; D284-G287 VanDerWaalsContact OD1-N 3.08Å; G287-A289 PolarHBondContact O-N 3.28Å; G287-M304 WeakPolarHBondContact O-CG 3.19Å; G287-P305 VanDerWaalsContact O-CD 3.24Å; G287-P305 WeakPolarHBondContact O-CD 3.46Å
288N96.9Very high96.1Very high80 Ų8021.9 Ų21.943%0.42813%0.125SC..  trans-78.5120.9175.4-57.1-56.2000109.9L261 L283 D284L261-N288 VanDerWaalsContact CD2-O 3.3Å; L261-N288 WeakPolarHBondContact CD2-O 3.47Å; L283-N288 WeakPolarHBondContact CA-O 3.42Å; D284-N288 PolarHBondContact N-O 3.45Å; D284-N288 WeakPolarHBondContact OD1-CB 3.35Å; D284-N288 PolarHBondContact OD1-N 3.22Å; D284-N288 PolarHBondContact OD1-ND2 3.03Å; D284-N288 PolarHBondContact OD2-ND2 2.91Å
289A98Very high96.2Very high19 Ų1921.9 Ų21.916%0.15713%0.126CC..EExtended strand (participates in β ladder)trans-97138.3176.300000111.6A282 L283 G287 Y302 M304A282-A289 CarbonylContact O-C 3.57Å; A282-A289 VanDerWaalsContact O-CA 3.31Å; A282-A289 WeakPolarHBondContact O-CA 3.48Å; L283-A289 HydrophobicContact CD1-CB 4.16Å; G287-A289 PolarHBondContact O-N 3.28Å; A289-Y302 HydrophobicContact CB-CD2 4.16Å; A289-Y302 HydrophobicContact CB-CG 4.22Å; A289-M304 HydrophobicContact CB-CG 3.77Å; A289-M304 HydrophobicContact CB-SD 3.91Å; A289-M304 PolarHBondContact N-SD 3.4Å
290V98.3Very high96.2Very high24 Ų2422.1 Ų22.115%0.14513%0.127CC..EExtended strand (participates in β ladder)trans-135.8130.1176.1-170.50000109.6L261 K262 C265 I281 A282 P292L261-V290 HydrophobicContact CB-CG2 4.4Å; L261-V290 HydrophobicContact CD2-CB 4.43Å; L261-V290 HydrophobicContact CD2-CG2 3.77Å; L261-V290 HydrophobicContact CG-CB 4.48Å; L261-V290 HydrophobicContact CG-CG2 3.87Å; K262-V290 HydrophobicContact CB-CG2 4.25Å; K262-V290 HydrophobicContact CG-CG1 4.43Å; C265-V290 HydrophobicContact CB-CB 4.49Å; C265-V290 HydrophobicContact CB-CG1 3.95Å; I281-V290 CarbonylContact C-O 3.59Å; I281-V290 WeakPolarHBondContact CA-O 3.38Å; A282-V290 PolarHBondContact N-O 3.01Å; A282-V290 PolarHBondContact O-N 2.75Å; V290-P292 HydrophobicContact CG1-CG 4.24Å
291C98.1Very high96.2Very high20 Ų2022.1 Ų22.114%0.13513%0.127CC..  trans-132.163-172.5-54.30000112.5L280 I281 F293 M298L280-C291 CarbonylContact O-C 3.55Å; L280-C291 VanDerWaalsContact O-CA 3.25Å; L280-C291 WeakPolarHBondContact O-CA 3.31Å; I281-C291 HydrophobicContact CG2-CB 4.25Å; C291-F293 WeakPolarHBondContact O-CD1 3.41Å; C291-M298 HydrophobicContact CB-CE 3.9Å
292P97.8Very high96.2Very high12 Ų1223.4 Ų23.48%0.07813%0.132CC..  trans-79.4147.1-178.923.6-10.6000111.6C265 I269 F270 G279 L280 V290C265-P292 HydrophobicContact CB-CG 3.57Å; I269-P292 HydrophobicContact CB-CB 4.23Å; I269-P292 HydrophobicContact CB-CG 4.46Å; I269-P292 HydrophobicContact CG1-CB 4.16Å; I269-P292 HydrophobicContact CG1-CG 3.95Å; I269-P292 HydrophobicContact CG2-CB 4.38Å; F270-P292 HydrophobicContact CE2-CB 3.94Å; F270-P292 HydrophobicContact CZ-CB 4.09Å; G279-P292 VanDerWaalsContact CA-O 3.26Å; G279-P292 WeakPolarHBondContact CA-O 3.43Å; L280-P292 HydrophobicContact CD1-CG 4.04Å; L280-P292 HydrophobicContact CG-CG 4.35Å; L280-P292 PolarHBondContact N-O 3.43Å; L280-P292 WeakPolarHBondContact O-CD 3.41Å; V290-P292 HydrophobicContact CG1-CG 4.24Å
293F96.5Very high96.1Very high25 Ų2524.1 Ų24.111%0.1114%0.135CC..BIsolated β-bridgetrans-151.9145.5175.257.3-84.1000110.2F270 A278 C291 T295 M298 H300 K315F270-F293 VanDerWaalsContact CE1-O 3.28Å; F270-F293 WeakPolarHBondContact CE1-O 3.42Å; A278-F293 CarbonylContact O-C 3.58Å; A278-F293 VanDerWaalsContact O-CA 3.31Å; A278-F293 WeakPolarHBondContact O-CA 3.45Å; C291-F293 WeakPolarHBondContact O-CD1 3.41Å; F293-T295 VanDerWaalsContact CD2-O 3.22Å; F293-T295 WeakPolarHBondContact CD2-O 3.19Å; F293-M298 HydrophobicContact CB-CB 3.84Å; F293-M298 HydrophobicContact CB-CE 4.43Å; F293-M298 HydrophobicContact CB-SD 4.03Å; F293-M298 HydrophobicContact CD1-CB 3.74Å; F293-M298 HydrophobicContact CD1-CE 3.87Å; F293-M298 HydrophobicContact CD1-SD 4.45Å; F293-M298 HydrophobicContact CD2-CB 3.96Å; F293-M298 HydrophobicContact CE1-CB 4.28Å; F293-M298 HydrophobicContact CE2-CB 4.47Å; F293-M298 HydrophobicContact CG-CB 3.57Å; F293-M298 HydrophobicContact CG-CE 4.49Å; F293-H300 AromaticContact CE1-CE1 3.82Å; F293-K315 HydrophobicContact CE2-CG 3.76Å; F293-K315 HydrophobicContact CZ-CG 4.28Å
294N94.3Very high96.1Very high34 Ų3425.6 Ų25.618%0.18214%0.143CC..SBendtrans-101.7-10.5-179.567.719.5000113.5I269 F270 M273 C276 A278 K315I269-N294 HydrophobicContact CG2-CB 4.03Å; I269-N294 PolarHBondContact O-ND2 3.05Å; F270-N294 HydrophobicContact CD1-CB 4.13Å; F270-N294 HydrophobicContact CE1-CB 4.15Å; M273-N294 PolarHBondContact O-ND2 3.26Å; C276-N294 PolarHBondContact O-ND2 2.97Å; C276-N294 PolarHBondContact O-OD1 3.37Å; A278-N294 PolarHBondContact N-OD1 3.13Å; A278-N294 PolarHBondContact O-N 3.27Å; A278-N294 PolarHBondContact O-OD1 2.93Å; A278-N294 VanDerWaalsContact O-OD1 3.12Å; N294-K315 PolarHBondContact O-NZ 2.98Å; N294-K315 VanDerWaalsContact O-NZ 3.17Å
295T91.6Very high95.9Very high5 Ų525.8 Ų25.83%0.03115%0.145CC..SBendtrans-75166.4172.754.40000112.4A14 G15 H277 F293 G297 K315A14-T295 HydrophobicContact CB-CG2 4.22Å; G15-T295 WeakPolarHBondContact O-CB 3.38Å; H277-T295 HydrophobicContact CB-CG2 3.57Å; F293-T295 VanDerWaalsContact CD2-O 3.22Å; F293-T295 WeakPolarHBondContact CD2-O 3.19Å; T295-G297 PolarHBondContact O-N 2.9Å; T295-G297 PolarHBondContact OG1-O 3.39Å; T295-K315 WeakPolarHBondContact O-CE 3.4Å; T295-K315 PolarHBondContact O-NZ 3.11Å
296D89Confident95.6Very high85 Ų8531.7 Ų31.746%0.45517%0.173SC..SBendtrans-64.9-26.8-180-65.6-33.2000114.1K315D296-K315 PolarHBondContact O-N 3.19Å; D296-K315 IonicContact OD1-NZ 2.67Å
297G92.1Very high95.6Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-149159169.900000113.3G15 T295 I313G15-G297 PolarHBondContact N-O 2.94Å; T295-G297 PolarHBondContact O-N 2.9Å; T295-G297 PolarHBondContact OG1-O 3.39Å; G297-I313 CarbonylContact C-O 3.58Å; G297-I313 WeakPolarHBondContact CA-O 3.41Å
298M95.3Very high95.5Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-141.1120.3166.6-179.1178.375.400107.8G13 A14 T235 I281 C291 F293 H300 I313G13-M298 WeakPolarHBondContact O-CA 2.79Å; A14-M298 HydrophobicContact CB-CB 4.06Å; A14-M298 HydrophobicContact CB-CG 3.97Å; A14-M298 HydrophobicContact CB-SD 4.36Å; T235-M298 HydrophobicContact CG2-CG 4.34Å; T235-M298 HydrophobicContact CG2-SD 3.9Å; I281-M298 HydrophobicContact CG2-CE 4.18Å; C291-M298 HydrophobicContact CB-CE 3.9Å; F293-M298 HydrophobicContact CB-CB 3.84Å; F293-M298 HydrophobicContact CB-CE 4.43Å; F293-M298 HydrophobicContact CB-SD 4.03Å; F293-M298 HydrophobicContact CD1-CB 3.74Å; F293-M298 HydrophobicContact CD1-CE 3.87Å; F293-M298 HydrophobicContact CD1-SD 4.45Å; F293-M298 HydrophobicContact CD2-CB 3.96Å; F293-M298 HydrophobicContact CE1-CB 4.28Å; F293-M298 HydrophobicContact CE2-CB 4.47Å; F293-M298 HydrophobicContact CG-CB 3.57Å; F293-M298 HydrophobicContact CG-CE 4.49Å; M298-H300 HydrophobicContact CE-CB 3.98Å; M298-H300 PolarHBondContact O-N 3.36Å; M298-H300 PolarHBondContact O-ND1 2.92Å; M298-I313 PolarHBondContact N-O 3.12Å; M298-I313 WeakPolarHBondContact O-CA 3.45Å
299F96Very high95.5Very high1 Ų136.3 Ų36.30%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-66.4115.7174-63.6-77.5000109.1H11 G12 G13 I17 Y30 L34 F68 I313H11-F299 CarbonylContact C-O 3.47Å; H11-F299 WeakPolarHBondContact CA-O 3.19Å; H11-F299 WeakPolarHBondContact CB-O 3.04Å; G12-F299 PolarHBondContact N-O 3.41Å; G13-F299 WeakPolarHBondContact O-CD2 3.24Å; G13-F299 PolarHBondContact O-N 2.99Å; I17-F299 HydrophobicContact CD1-CD2 3.98Å; I17-F299 HydrophobicContact CD1-CE2 3.09Å; I17-F299 HydrophobicContact CD1-CZ 3.55Å; Y30-F299 AromaticContact CD1-CD1 3.81Å; Y30-F299 HydrophobicContact CD1-CD1 3.81Å; Y30-F299 AromaticContact CD1-CE1 3.55Å; Y30-F299 HydrophobicContact CD1-CE1 3.55Å; Y30-F299 HydrophobicContact CD1-CE2 4.5Å; Y30-F299 HydrophobicContact CD1-CG 4.43Å; Y30-F299 AromaticContact CD1-CZ 3.93Å; Y30-F299 HydrophobicContact CD1-CZ 3.93Å; Y30-F299 AromaticContact CD2-CE1 3.73Å; Y30-F299 HydrophobicContact CD2-CE1 3.73Å; Y30-F299 HydrophobicContact CD2-CZ 4.09Å; Y30-F299 HydrophobicContact CE1-CD1 4.46Å; Y30-F299 AromaticContact CE1-CE1 3.98Å; Y30-F299 HydrophobicContact CE1-CE1 3.98Å; Y30-F299 HydrophobicContact CE1-CE2 4.23Å; Y30-F299 AromaticContact CE1-CZ 3.85Å; Y30-F299 HydrophobicContact CE1-CZ 3.85Å; Y30-F299 HydrophobicContact CE2-CE1 4.17Å; Y30-F299 HydrophobicContact CE2-CZ 4.05Å; Y30-F299 AromaticContact CG-CD1 3.93Å; Y30-F299 HydrophobicContact CG-CD1 3.93Å; Y30-F299 AromaticContact CG-CE1 3.42Å; Y30-F299 HydrophobicContact CG-CE1 3.42Å; Y30-F299 VanDerWaalsContact CG-CE1 3.42Å; Y30-F299 HydrophobicContact CG-CZ 4.06Å; Y30-F299 AromaticContact CZ-CZ 3.95Å; L34-F299 HydrophobicContact CD1-CB 3.97Å; L34-F299 HydrophobicContact CD2-CB 4.23Å; F68-F299 HydrophobicContact CE1-CB 4.25Å; F68-F299 HydrophobicContact CE1-CG 4.28Å; F299-I313 HydrophobicContact CD1-CB 4.38Å; F299-I313 HydrophobicContact CD1-CD1 3.73Å; F299-I313 HydrophobicContact CD1-CG1 3.73Å; F299-I313 HydrophobicContact CD1-CG2 3.81Å; F299-I313 HydrophobicContact CE1-CD1 3.8Å; F299-I313 HydrophobicContact CE1-CG1 4.19Å; F299-I313 HydrophobicContact CE1-CG2 3.74Å; F299-I313 HydrophobicContact CG-CG2 4.5Å; F299-I313 HydrophobicContact CZ-CG2 4.41Å
300H97.8Very high95.5Very high5 Ų537.1 Ų37.12%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-152.6155.517864.7-75.4000113.6V10 H11 I281 F293 M298 R312V10-H300 VanDerWaalsContact O-CA 3.24Å; V10-H300 WeakPolarHBondContact O-CA 3.29Å; V10-H300 WeakPolarHBondContact O-CB 3.35Å; H11-H300 HydrophobicContact CB-CB 4.34Å; I281-H300 HydrophobicContact CG2-CB 4.38Å; F293-H300 AromaticContact CE1-CE1 3.82Å; M298-H300 HydrophobicContact CE-CB 3.98Å; M298-H300 PolarHBondContact O-N 3.36Å; M298-H300 PolarHBondContact O-ND1 2.92Å; H300-R312 VanDerWaalsContact CE1-CB 3.4Å; H300-R312 WeakPolarHBondContact CE1-CB 3.33Å; H300-R312 PolarHBondContact N-O 3.48Å; H300-R312 PolarHBondContact ND1-O 3.34Å; H300-R312 WeakPolarHBondContact NE2-CB 3.31Å; H300-R312 PolarHBondContact O-N 3.29Å
301A98.5Very high95.5Very high0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-140.5151.1170.700000110A9 V10 L34 L38 V310 V311A9-A301 CarbonylContact C-O 3.49Å; A9-A301 VanDerWaalsContact CA-O 3.28Å; A9-A301 WeakPolarHBondContact CA-O 3.35Å; V10-A301 HydrophobicContact CG2-CB 3.89Å; V10-A301 PolarHBondContact N-O 3.38Å; V10-A301 PolarHBondContact O-N 3Å; L34-A301 HydrophobicContact CB-CB 4.18Å; L38-A301 HydrophobicContact CB-CB 4.41Å; L38-A301 VanDerWaalsContact CD1-C 3.47Å; L38-A301 HydrophobicContact CD1-CB 3.73Å; A301-V310 CarbonylContact C-O 3.54Å; A301-V310 WeakPolarHBondContact CA-O 3.36Å; A301-V310 WeakPolarHBondContact CB-O 3.24Å; A301-V311 HydrophobicContact CB-CB 4.37Å; A301-V311 HydrophobicContact CB-CG1 4.36Å; A301-V311 HydrophobicContact CB-CG2 3.92Å
302Y98.5Very high95.4Very high27 Ų2739.7 Ų39.711%0.10621%0.205CC..EExtended strand (participates in β ladder)trans-148.9159.3175.661.7-91.3000111.8I8 L38 A289 M304 V310 R312I8-Y302 CarbonylContact O-C 3.33Å; I8-Y302 VanDerWaalsContact O-CA 3.25Å; I8-Y302 WeakPolarHBondContact O-CA 3.47Å; L38-Y302 VanDerWaalsContact CD1-CA 3.4Å; A289-Y302 HydrophobicContact CB-CD2 4.16Å; A289-Y302 HydrophobicContact CB-CG 4.22Å; Y302-M304 HydrophobicContact CD2-CG 4.15Å; Y302-M304 HydrophobicContact CE2-CE 4.02Å; Y302-V310 HydrophobicContact CD1-CB 4.26Å; Y302-V310 HydrophobicContact CD1-CG1 4.47Å; Y302-V310 HydrophobicContact CD2-CB 4.23Å; Y302-V310 HydrophobicContact CD2-CG2 4.49Å; Y302-V310 HydrophobicContact CE1-CB 3.8Å; Y302-V310 HydrophobicContact CE1-CG1 3.66Å; Y302-V310 HydrophobicContact CE2-CB 3.76Å; Y302-V310 HydrophobicContact CE2-CG1 4.33Å; Y302-V310 HydrophobicContact CE2-CG2 3.77Å; Y302-V310 HydrophobicContact CG-CB 4.47Å; Y302-V310 PolarHBondContact N-O 3.17Å; Y302-V310 PolarHBondContact O-N 3.34Å; Y302-R312 PolarHBondContact OH-NH1 3.08Å
303L98Very high95.2Very high14 Ų1439.1 Ų39.17%0.07320%0.201CC..EExtended strand (participates in β ladder)trans-139.3112175175.259.3000108A7 I8 L38 F42 E307 V309A7-L303 VanDerWaalsContact CA-O 3.26Å; A7-L303 WeakPolarHBondContact CA-O 3.49Å; I8-L303 HydrophobicContact CG2-CB 3.98Å; I8-L303 PolarHBondContact N-O 3.08Å; I8-L303 PolarHBondContact O-N 3.46Å; L38-L303 HydrophobicContact CD1-CB 4.39Å; L38-L303 HydrophobicContact CD2-CB 4.07Å; L38-L303 HydrophobicContact CD2-CD2 4.44Å; F42-L303 HydrophobicContact CD1-CD2 4.1Å; F42-L303 HydrophobicContact CD2-CD2 3.44Å; F42-L303 VanDerWaalsContact CD2-CD2 3.44Å; F42-L303 HydrophobicContact CE1-CD2 4.09Å; F42-L303 HydrophobicContact CE2-CD2 3.43Å; F42-L303 VanDerWaalsContact CE2-CD2 3.43Å; F42-L303 HydrophobicContact CE2-CG 4.37Å; F42-L303 HydrophobicContact CG-CD2 3.77Å; F42-L303 HydrophobicContact CZ-CD2 3.76Å; L303-E307 WeakPolarHBondContact CD1-O 3.25Å; L303-V309 HydrophobicContact CB-CG2 4.41Å; L303-V309 HydrophobicContact CD1-CG2 4.2Å; L303-V309 HydrophobicContact CD2-CG2 4.18Å
304M96.7Very high95.1Very high32 Ų3238.4 Ų38.416%0.15820%0.198CC..  trans-92.5161.9175.1-68-169.8-6200110.7G287 A289 Y302 N306 E307G287-M304 WeakPolarHBondContact O-CG 3.19Å; A289-M304 HydrophobicContact CB-CG 3.77Å; A289-M304 HydrophobicContact CB-SD 3.91Å; A289-M304 PolarHBondContact N-SD 3.4Å; Y302-M304 HydrophobicContact CD2-CG 4.15Å; Y302-M304 HydrophobicContact CE2-CE 4.02Å; M304-N306 PolarHBondContact O-N 3.16Å; M304-E307 HydrophobicContact CB-CB 4.42Å; M304-E307 HydrophobicContact CB-CG 4.32Å; M304-E307 WeakPolarHBondContact CE-OE1 3.3Å; M304-E307 WeakPolarHBondContact CE-OE2 3.38Å; M304-E307 PolarHBondContact O-N 2.97Å
305P94.2Very high94.8Very high27 Ų2741 Ų4118%0.17521%0.207CC..THydrogen-bonded Turntrans-52.2119.5179.1-35.343.6000114.5N4 A7 G287 E307N4-P305 VanDerWaalsContact O-CB 3.23Å; N4-P305 WeakPolarHBondContact O-CB 3.4Å; A7-P305 HydrophobicContact CB-CG 4.36Å; G287-P305 VanDerWaalsContact O-CD 3.24Å; G287-P305 WeakPolarHBondContact O-CD 3.46Å; P305-E307 VanDerWaalsContact C-N 3.25Å; P305-E307 PolarHBondContact O-N 3.36Å
306N89.1Confident94.2Very high140 Ų14048.9 Ų48.975%0.74925%0.249SC*.THydrogen-bonded Turntrans64.325.4177.2-36.2-75.7000114.4M304M304-N306 PolarHBondContact O-N 3.16Å
307E93.9Very high94Very high102 Ų10248.8 Ų48.848%0.47725%0.246SC..SBendtrans-113.9171.3173.5-62.8-172-164.500111.2L303 M304 P305L303-E307 WeakPolarHBondContact CD1-O 3.25Å; M304-E307 HydrophobicContact CB-CB 4.42Å; M304-E307 HydrophobicContact CB-CG 4.32Å; M304-E307 WeakPolarHBondContact CE-OE1 3.3Å; M304-E307 WeakPolarHBondContact CE-OE2 3.38Å; M304-E307 PolarHBondContact O-N 2.97Å; P305-E307 VanDerWaalsContact C-N 3.25Å; P305-E307 PolarHBondContact O-N 3.36Å
308D94.9Very high94.1Very high144 Ų14451.3 Ų51.377%0.7726%0.258SS*.PPolyproline II helixtrans-83.6158.3172.7-69.7-45.1000111.2V310D308-V310 PolarHBondContact O-N 3.15Å
309V97.3Very high94Very high47 Ų4753.9 Ų53.929%0.28527%0.272SS..PPolyproline II helixtrans-64.2122.4174.2175.70000110L38 L303 V311L38-V309 HydrophobicContact CD1-CG1 4.43Å; L38-V309 HydrophobicContact CD2-CG1 4.03Å; L38-V309 HydrophobicContact CD2-CG2 3.87Å; L303-V309 HydrophobicContact CB-CG2 4.41Å; L303-V309 HydrophobicContact CD1-CG2 4.2Å; L303-V309 HydrophobicContact CD2-CG2 4.18Å; V309-V311 HydrophobicContact CG1-CG2 4.08Å
310V97.7Very high93.9Very high35 Ų3556.9 Ų56.921%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-101.2133.1173.5-179.10000109.4A301 Y302 D308 R312A301-V310 CarbonylContact C-O 3.54Å; A301-V310 WeakPolarHBondContact CA-O 3.36Å; A301-V310 WeakPolarHBondContact CB-O 3.24Å; Y302-V310 HydrophobicContact CD1-CB 4.26Å; Y302-V310 HydrophobicContact CD1-CG1 4.47Å; Y302-V310 HydrophobicContact CD2-CB 4.23Å; Y302-V310 HydrophobicContact CD2-CG2 4.49Å; Y302-V310 HydrophobicContact CE1-CB 3.8Å; Y302-V310 HydrophobicContact CE1-CG1 3.66Å; Y302-V310 HydrophobicContact CE2-CB 3.76Å; Y302-V310 HydrophobicContact CE2-CG1 4.33Å; Y302-V310 HydrophobicContact CE2-CG2 3.77Å; Y302-V310 HydrophobicContact CG-CB 4.47Å; Y302-V310 PolarHBondContact N-O 3.17Å; Y302-V310 PolarHBondContact O-N 3.34Å; D308-V310 PolarHBondContact O-N 3.15Å; V310-R312 HydrophobicContact CG1-CG 3.91Å
311V97.7Very high93.7Very high18 Ų1859.9 Ų59.911%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-128.1124174.8-173.50000108.6R31 L34 R35 A301 V309R31-V311 HydrophobicContact CB-CG1 3.93Å; R31-V311 HydrophobicContact CG-CG1 3.95Å; R31-V311 PolarHBondContact NH1-O 3.4Å; L34-V311 HydrophobicContact CB-CG1 4.07Å; L34-V311 HydrophobicContact CD1-CG1 3.83Å; R35-V311 HydrophobicContact CB-CG2 4.25Å; A301-V311 HydrophobicContact CB-CB 4.37Å; A301-V311 HydrophobicContact CB-CG1 4.36Å; A301-V311 HydrophobicContact CB-CG2 3.92Å; V309-V311 HydrophobicContact CG1-CG2 4.08Å
312R96.5Very high93.4Very high80 Ų8063.7 Ų63.730%0.30232%0.321SS..EExtended strand (participates in β ladder)trans-137.8151.4-174.9-73.5179.7173169.1-6.5111.6H300 Y302 V310 E317H300-R312 VanDerWaalsContact CE1-CB 3.4Å; H300-R312 WeakPolarHBondContact CE1-CB 3.33Å; H300-R312 PolarHBondContact N-O 3.48Å; H300-R312 PolarHBondContact ND1-O 3.34Å; H300-R312 WeakPolarHBondContact NE2-CB 3.31Å; H300-R312 PolarHBondContact O-N 3.29Å; Y302-R312 PolarHBondContact OH-NH1 3.08Å; V310-R312 HydrophobicContact CG1-CG 3.91Å; R312-E317 WeakPolarHBondContact CA-OE2 3.03Å; R312-E317 HydrophobicContact CB-CB 4.48Å; R312-E317 HydrophobicContact CG-CB 3.91Å; R312-E317 VanDerWaalsContact CZ-C 3.46Å; R312-E317 VanDerWaalsContact CZ-OXT 3.3Å; R312-E317 PolarHBondContact NE-O 2.93Å; R312-E317 VanDerWaalsContact NE-O 3.13Å; R312-E317 PolarHBondContact NE-OXT 3.32Å; R312-E317 VanDerWaalsContact NH2-C 3.34Å; R312-E317 PolarHBondContact NH2-O 3.07Å; R312-E317 PolarHBondContact NH2-OXT 2.67Å
313I94.3Very high93Very high0 Ų066.1 Ų66.10%034%0.336CS..EExtended strand (participates in β ladder)trans-130-44.8177.2-58.3174.9000110.4E27 R31 G297 M298 F299 E317E27-I313 HydrophobicContact CG-CD1 3.73Å; R31-I313 HydrophobicContact CG-CD1 3.77Å; R31-I313 HydrophobicContact CG-CG1 4.45Å; G297-I313 CarbonylContact C-O 3.58Å; G297-I313 WeakPolarHBondContact CA-O 3.41Å; M298-I313 PolarHBondContact N-O 3.12Å; M298-I313 WeakPolarHBondContact O-CA 3.45Å; F299-I313 HydrophobicContact CD1-CB 4.38Å; F299-I313 HydrophobicContact CD1-CD1 3.73Å; F299-I313 HydrophobicContact CD1-CG1 3.73Å; F299-I313 HydrophobicContact CD1-CG2 3.81Å; F299-I313 HydrophobicContact CE1-CD1 3.8Å; F299-I313 HydrophobicContact CE1-CG1 4.19Å; F299-I313 HydrophobicContact CE1-CG2 3.74Å; F299-I313 HydrophobicContact CG-CG2 4.5Å; F299-I313 HydrophobicContact CZ-CG2 4.41Å; I313-E317 PolarHBondContact N-OE2 2.91Å
314W93.8Very high92.7Very high11 Ų1169.9 Ų69.94%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-100.7159.5-166.5-50.8116.8000113I17 R19 V22 E27 E317I17-W314 HydrophobicContact CB-CH2 4.29Å; I17-W314 HydrophobicContact CB-CZ3 4.11Å; I17-W314 HydrophobicContact CG2-CH2 3.6Å; I17-W314 HydrophobicContact CG2-CZ3 3.94Å; I17-W314 WeakPolarHBondContact O-CZ3 3.43Å; R19-W314 HydrophobicContact CB-CD2 3.95Å; R19-W314 HydrophobicContact CB-CE3 3.91Å; R19-W314 HydrophobicContact CB-CH2 3.91Å; R19-W314 HydrophobicContact CB-CZ2 3.94Å; R19-W314 HydrophobicContact CB-CZ3 3.9Å; R19-W314 HydrophobicContact CG-CD2 3.91Å; R19-W314 HydrophobicContact CG-CE3 4.39Å; R19-W314 HydrophobicContact CG-CG 4.35Å; R19-W314 HydrophobicContact CG-CH2 4.32Å; R19-W314 HydrophobicContact CG-CZ2 3.81Å; V22-W314 HydrophobicContact CB-CH2 4.45Å; V22-W314 HydrophobicContact CB-CZ2 4.27Å; V22-W314 HydrophobicContact CG2-CH2 3.8Å; V22-W314 HydrophobicContact CG2-CZ2 4.1Å; E27-W314 PolarHBondContact OE2-NE1 3.4Å; W314-E317 HydrophobicContact CB-CG 4.1Å; W314-E317 VanDerWaalsContact CD1-OE1 3.27Å
315K86.9Confident92.4Very high88 Ų8872.8 Ų72.838%0.38337%0.37SS..THydrogen-bonded Turntrans-58.7138.7164.7-67.3-178.3-175.4160.40109.7F293 N294 T295 D296F293-K315 HydrophobicContact CE2-CG 3.76Å; F293-K315 HydrophobicContact CZ-CG 4.28Å; N294-K315 PolarHBondContact O-NZ 2.98Å; N294-K315 VanDerWaalsContact O-NZ 3.17Å; T295-K315 WeakPolarHBondContact O-CE 3.4Å; T295-K315 PolarHBondContact O-NZ 3.11Å; D296-K315 PolarHBondContact O-N 3.19Å; D296-K315 IonicContact OD1-NZ 2.67Å
316N79.4Confident92.2Very high171 Ų17176.6 Ų76.691%0.91439%0.386SS*.THydrogen-bonded Turntrans72.326.3175.1-43.5-52.7000116.6
317E84.9Confident92.5Very high83 Ų8370.8 Ų70.839%0.38835%0.353SS..  trans-89.70163.7-60-166142.800113.4R19 R31 R312 I313 W314R19-E317 IonicContact NH2-OE1 3.33Å; R31-E317 IonicContact CZ-OE1 3.28Å; R31-E317 IonicContact CZ-OE2 2.79Å; R31-E317 IonicContact NH1-OE1 2.93Å; R31-E317 IonicContact NH1-OE2 3.21Å; R31-E317 PolarHBondContact NH1-OE2 2.73Å; R31-E317 VanDerWaalsContact NH2-CD 3.28Å; R31-E317 IonicContact NH2-OE1 2.72Å; R31-E317 PolarHBondContact NH2-OE1 2.83Å; R31-E317 IonicContact NH2-OE2 2.98Å; R31-E317 PolarHBondContact NH2-OE2 2.96Å; R312-E317 WeakPolarHBondContact CA-OE2 3.03Å; R312-E317 HydrophobicContact CB-CB 4.48Å; R312-E317 HydrophobicContact CG-CB 3.91Å; R312-E317 VanDerWaalsContact CZ-C 3.46Å; R312-E317 VanDerWaalsContact CZ-OXT 3.3Å; R312-E317 PolarHBondContact NE-O 2.93Å; R312-E317 VanDerWaalsContact NE-O 3.13Å; R312-E317 PolarHBondContact NE-OXT 3.32Å; R312-E317 VanDerWaalsContact NH2-C 3.34Å; R312-E317 PolarHBondContact NH2-O 3.07Å; R312-E317 PolarHBondContact NH2-OXT 2.67Å; I313-E317 PolarHBondContact N-OE2 2.91Å; W314-E317 HydrophobicContact CB-CG 4.1Å; W314-E317 VanDerWaalsContact CD1-OE1 3.27Å

Retrieved 317 of 317 residues in 155.5 ms (Link to these results)

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