A0A077ZDI6_TRITR Loading...

glutaminyl-peptide cyclotransferase

AlphaFold DB , UniProt , Accession A0A077ZDI6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1A44.9Very low78.1Confident141 Ų14184.8 Ų84.8100%1.16548%0.484SS*.  0131.3000000109.8
2S65.9Low79.5Confident79 Ų7978.7 Ų78.755%0.55245%0.448SS*.PPolyproline II helixtrans-64.2133.3173.545.10000109.7K4S2-K4 PolarHBondContact O-N 3.22Å
3H69.8Low80.7Confident47 Ų4772.6 Ų72.622%0.21841%0.414CS..PPolyproline II helixtrans-57.6123.2173.8-173.7-88.2000109.1D193 Y308H3-D193 IonicContact CD2-OD2 2.99Å; H3-Y308 PolarHBondContact CE1-O 3.29Å; H3-Y308 AromaticContact ND1-CE2 3.81Å; H3-Y308 AromaticContact ND1-CZ 3.8Å; H3-Y308 PolarHBondContact NE2-O 3.27Å; H3-Y308 VanDerWaalsContact NE2-O 3.11Å
4K74.8Confident81.8Confident159 Ų15973.9 Ų73.969%0.69142%0.415SS*.PPolyproline II helixtrans-103.8121.6171.5-70.9-170.7178.8-176.70109S2 K310S2-K4 PolarHBondContact O-N 3.22Å; K4-K310 VanDerWaalsContact O-CE 3.3Å; K4-K310 WeakPolarHBondContact O-CE 3.23Å
5P73.4Confident82.7Confident41 Ų4176.6 Ų76.627%0.26642%0.416SS..PPolyproline II helixtrans-62.1154.1174.230.1-36.8000110.6I222P5-I222 HydrophobicContact CB-CD1 3.56Å; P5-I222 HydrophobicContact CB-CG1 3.83Å; P5-I222 HydrophobicContact CG-CD1 3.78Å; P5-I222 HydrophobicContact CG-CG1 3.69Å
6S78.2Confident83.5Confident28 Ų2871.8 Ų71.820%0.19639%0.39CS..PPolyproline II helixtrans-75140.5171.9-720000110.9F8 R307 K310S6-F8 VanDerWaalsContact CB-CE1 3.41Å; S6-R307 PolarHBondContact N-O 2.98Å; S6-R307 PolarHBondContact O-NE 2.98Å; S6-K310 WeakPolarHBondContact OG-CB 3.28Å; S6-K310 WeakPolarHBondContact OG-CD 3.41Å; S6-K310 VanDerWaalsContact OG-CG 3.24Å; S6-K310 WeakPolarHBondContact OG-CG 3.32Å
7F81.7Confident84.2Confident164 Ų16468.4 Ų68.472%0.71937%0.372SS*.PPolyproline II helixtrans-88120.5161.2-163.2-93000107.4
8F91.5Very high84.9Confident9 Ų969 Ų694%0.03939%0.388CS..PPolyproline II helixtrans-95.1142.4-179.8-71.9-19.9000109.9S6 Q12 I13 L16 Q229 A306 R307 I311 I312S6-F8 VanDerWaalsContact CB-CE1 3.41Å; F8-Q12 HydrophobicContact CB-CB 3.96Å; F8-Q12 HydrophobicContact CB-CG 3.75Å; F8-Q12 HydrophobicContact CD1-CG 3.86Å; F8-Q12 HydrophobicContact CD2-CG 3.63Å; F8-Q12 HydrophobicContact CE1-CG 4.33Å; F8-Q12 HydrophobicContact CE2-CG 4.14Å; F8-Q12 HydrophobicContact CG-CB 4.25Å; F8-Q12 HydrophobicContact CG-CG 3.48Å; F8-Q12 VanDerWaalsContact CG-CG 3.48Å; F8-Q12 HydrophobicContact CZ-CG 4.47Å; F8-I13 HydrophobicContact CB-CD1 3.9Å; F8-I13 HydrophobicContact CB-CG1 4.09Å; F8-I13 HydrophobicContact CD2-CD1 4.33Å; F8-L16 HydrophobicContact CD2-CD1 3.68Å; F8-L16 HydrophobicContact CE2-CD1 3.58Å; F8-Q229 PolarHBondContact O-NE2 3.33Å; F8-A306 HydrophobicContact CE2-CB 3.92Å; F8-A306 HydrophobicContact CZ-CB 4.49Å; F8-A306 WeakPolarHBondContact CZ-O 3.29Å; F8-R307 HydrophobicContact CD2-CG 3.42Å; F8-R307 VanDerWaalsContact CD2-CG 3.42Å; F8-R307 HydrophobicContact CE2-CB 4.2Å; F8-R307 HydrophobicContact CE2-CG 3.51Å; F8-R307 HydrophobicContact CG-CG 4.06Å; F8-R307 HydrophobicContact CZ-CG 4.22Å; F8-I311 WeakPolarHBondContact CZ-O 3.33Å; F8-I312 HydrophobicContact CE1-CG1 4.44Å
9N92.4Very high85.5Confident106 Ų10667.3 Ų67.357%0.56738%0.377SS*.PPolyproline II helixtrans-74.5170.2171.66526.4000110.4N11 Q12 I13N9-N11 VanDerWaalsContact C-N 3.34Å; N9-N11 PolarHBondContact O-N 3.22Å; N9-N11 PolarHBondContact OD1-N 3.38Å; N9-Q12 PolarHBondContact O-N 2.77Å; N9-Q12 WeakPolarHBondContact OD1-CB 3.28Å; N9-Q12 PolarHBondContact OD1-N 3.24Å; N9-I13 WeakPolarHBondContact O-CG1 3.5Å; N9-I13 PolarHBondContact O-N 2.68Å; N9-I13 VanDerWaalsContact O-N 3.12Å
10T91.9Very high86Confident82 Ų8266.3 Ų66.350%0.50338%0.375SS..Hα-helixtrans-56.7-44.4-176.8-50.10000112.7Q12 I13 E14 V233T10-Q12 PolarHBondContact O-N 2.87Å; T10-I13 WeakPolarHBondContact O-CB 3.3Å; T10-I13 PolarHBondContact O-N 3.08Å; T10-I13 VanDerWaalsContact O-N 3.11Å; T10-E14 HydrophobicContact CG2-CG 4.36Å; T10-E14 WeakPolarHBondContact O-CG 3.11Å; T10-E14 PolarHBondContact O-N 3.26Å; T10-V233 HydrophobicContact CG2-CG2 4.17Å
11N94.2Very high86.6Confident77 Ų7766.6 Ų66.641%0.41238%0.376SS..Hα-helixtrans-59.5-43.4178.9-178.722.1000112.1N9 I13 E14 R15N9-N11 VanDerWaalsContact C-N 3.34Å; N9-N11 PolarHBondContact O-N 3.22Å; N9-N11 PolarHBondContact OD1-N 3.38Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.12Å; N11-E14 PolarHBondContact O-N 3.07Å; N11-R15 VanDerWaalsContact O-CG 3.29Å; N11-R15 WeakPolarHBondContact O-CG 3.34Å; N11-R15 PolarHBondContact O-N 3.32Å; N11-R15 PolarHBondContact OD1-NE 3.22Å; N11-R15 VanDerWaalsContact OD1-NE 3.08Å
12Q94.9Very high89.1Confident11 Ų1162 Ų625%0.05134%0.335CS..Hα-helixtrans-64.5-37.9176.6179.960.52700112.1F8 N9 T10 L16 I311 I313F8-Q12 HydrophobicContact CB-CB 3.96Å; F8-Q12 HydrophobicContact CB-CG 3.75Å; F8-Q12 HydrophobicContact CD1-CG 3.86Å; F8-Q12 HydrophobicContact CD2-CG 3.63Å; F8-Q12 HydrophobicContact CE1-CG 4.33Å; F8-Q12 HydrophobicContact CE2-CG 4.14Å; F8-Q12 HydrophobicContact CG-CB 4.25Å; F8-Q12 HydrophobicContact CG-CG 3.48Å; F8-Q12 VanDerWaalsContact CG-CG 3.48Å; F8-Q12 HydrophobicContact CZ-CG 4.47Å; N9-Q12 PolarHBondContact O-N 2.77Å; N9-Q12 WeakPolarHBondContact OD1-CB 3.28Å; N9-Q12 PolarHBondContact OD1-N 3.24Å; T10-Q12 PolarHBondContact O-N 2.87Å; Q12-L16 HydrophobicContact CG-CD1 4.19Å; Q12-L16 WeakPolarHBondContact O-CB 3.11Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 2.79Å; Q12-L16 VanDerWaalsContact O-N 3.08Å; Q12-I311 PolarHBondContact NE2-O 2.92Å; Q12-I313 VanDerWaalsContact NE2-N 3.15Å; Q12-I313 VanDerWaalsContact OE1-N 3.1Å; Q12-I313 PolarHBondContact OE1-O 3.22Å; Q12-I313 VanDerWaalsContact OE1-O 3.05Å
13I95.4Very high90.6Very high0 Ų062.5 Ų62.50%034%0.335CS..Hα-helixtrans-66.1-45.8175-64.1-67.9000110.8F8 N9 T10 N11 R15 L16 C17 Q229 L230 V233 V303F8-I13 HydrophobicContact CB-CD1 3.9Å; F8-I13 HydrophobicContact CB-CG1 4.09Å; F8-I13 HydrophobicContact CD2-CD1 4.33Å; N9-I13 WeakPolarHBondContact O-CG1 3.5Å; N9-I13 PolarHBondContact O-N 2.68Å; N9-I13 VanDerWaalsContact O-N 3.12Å; T10-I13 WeakPolarHBondContact O-CB 3.3Å; T10-I13 PolarHBondContact O-N 3.08Å; T10-I13 VanDerWaalsContact O-N 3.11Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.12Å; I13-R15 PolarHBondContact O-N 2.82Å; I13-L16 PolarHBondContact O-N 2.89Å; I13-C17 WeakPolarHBondContact O-CB 3.24Å; I13-C17 PolarHBondContact O-N 3.47Å; I13-Q229 HydrophobicContact CD1-CG 4.31Å; I13-Q229 HydrophobicContact CG1-CG 4.02Å; I13-L230 HydrophobicContact CG2-CD2 3.63Å; I13-L230 HydrophobicContact CG2-CG 4.25Å; I13-V233 HydrophobicContact CG2-CG2 3.87Å; I13-V303 HydrophobicContact CD1-CG1 3.58Å
14E95.9Very high91.9Very high91 Ų9162.1 Ų62.143%0.42533%0.332SS..Hα-helixtrans-57.5-47.1177-78.1169.7173.300111.5T10 N11 C17 A18 V233T10-E14 HydrophobicContact CG2-CG 4.36Å; T10-E14 WeakPolarHBondContact O-CG 3.11Å; T10-E14 PolarHBondContact O-N 3.26Å; N11-E14 PolarHBondContact O-N 3.07Å; E14-C17 WeakPolarHBondContact O-CB 3.24Å; E14-C17 PolarHBondContact O-N 3.24Å; E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 3.11Å; E14-V233 HydrophobicContact CG-CG1 3.44Å; E14-V233 VanDerWaalsContact CG-CG1 3.44Å; E14-V233 HydrophobicContact CG-CG2 4.49Å
15R96.2Very high93Very high114 Ų11454.9 Ų54.943%0.4330%0.3SS..Hα-helixtrans-62.2-46.1177.1-67.3173.8-179.3-159.3-9.2111.8N11 I13 C17 A18 L19 I313N11-R15 VanDerWaalsContact O-CG 3.29Å; N11-R15 WeakPolarHBondContact O-CG 3.34Å; N11-R15 PolarHBondContact O-N 3.32Å; N11-R15 PolarHBondContact OD1-NE 3.22Å; N11-R15 VanDerWaalsContact OD1-NE 3.08Å; I13-R15 PolarHBondContact O-N 2.82Å; R15-C17 VanDerWaalsContact C-N 3.3Å; R15-C17 PolarHBondContact O-N 3.22Å; R15-A18 WeakPolarHBondContact O-CB 3.5Å; R15-A18 PolarHBondContact O-N 2.76Å; R15-L19 PolarHBondContact O-N 3.29Å; R15-I313 HydrophobicContact CB-CD1 3.53Å; R15-I313 HydrophobicContact CB-CG1 3.56Å; R15-I313 WeakPolarHBondContact CD-O 3.41Å; R15-I313 VanDerWaalsContact NH1-C 3.32Å; R15-I313 PolarHBondContact NH1-O 3.07Å; R15-I313 PolarHBondContact NH1-OXT 3.09Å; R15-I313 VanDerWaalsContact NH1-OXT 3.13Å
16L95.5Very high94.2Very high0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-66.8-37-179-75.6167.6000111.5F8 Q12 I13 L19 L129 R302 V303 A306 I313F8-L16 HydrophobicContact CD2-CD1 3.68Å; F8-L16 HydrophobicContact CE2-CD1 3.58Å; Q12-L16 HydrophobicContact CG-CD1 4.19Å; Q12-L16 WeakPolarHBondContact O-CB 3.11Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 2.79Å; Q12-L16 VanDerWaalsContact O-N 3.08Å; I13-L16 PolarHBondContact O-N 2.89Å; L16-L19 HydrophobicContact CD2-CD1 4.27Å; L16-L19 WeakPolarHBondContact O-CB 3.43Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-L129 HydrophobicContact CD2-CD2 3.98Å; L16-R302 PolarHBondContact O-NH1 3.47Å; L16-V303 HydrophobicContact CB-CG2 3.85Å; L16-V303 HydrophobicContact CD1-CG1 4.38Å; L16-V303 HydrophobicContact CD1-CG2 4.43Å; L16-A306 HydrophobicContact CD1-CB 3.7Å; L16-A306 HydrophobicContact CD2-CB 3.78Å; L16-A306 HydrophobicContact CG-CB 4.43Å; L16-I313 HydrophobicContact CD2-CD1 3.9Å; L16-I313 HydrophobicContact CD2-CG1 4.29Å; L16-I313 HydrophobicContact CD2-CG2 4.38Å; L16-I313 HydrophobicContact CG-CD1 4.08Å; L16-I313 HydrophobicContact CG-CG1 4.31Å
17C95.2Very high95.2Very high14 Ų1460.6 Ų60.610%0.09532%0.32CS..Hα-helixtrans-62.2-42.2172.4158.60000111.8I13 E14 R15 L19 S20 L230 C236 R302I13-C17 WeakPolarHBondContact O-CB 3.24Å; I13-C17 PolarHBondContact O-N 3.47Å; E14-C17 WeakPolarHBondContact O-CB 3.24Å; E14-C17 PolarHBondContact O-N 3.24Å; R15-C17 VanDerWaalsContact C-N 3.3Å; R15-C17 PolarHBondContact O-N 3.22Å; C17-L19 PolarHBondContact O-N 3.41Å; C17-L19 VanDerWaalsContact O-N 3.07Å; C17-S20 VanDerWaalsContact O-CB 3.23Å; C17-S20 WeakPolarHBondContact O-CB 3.37Å; C17-S20 PolarHBondContact O-N 3.03Å; C17-S20 PolarHBondContact O-OG 2.62Å; C17-S20 VanDerWaalsContact O-OG 3.07Å; C17-L230 HydrophobicContact CB-CD2 4.16Å; C17-C236 HydrophobicContact CB-CB 3.93Å; C17-C236 WeakPolarHBondContact CB-SG 3.36Å; C17-C236 WeakPolarHBondContact SG-CA 3.39Å; C17-C236 WeakPolarHBondContact SG-CB 2.91Å; C17-C236 CovalentContact SG-SG 2.03Å; C17-C236 PolarHBondContact SG-SG 2.69Å; C17-R302 PolarHBondContact O-NH1 3.12Å
18A96Very high96Very high79 Ų7954.2 Ų54.265%0.65329%0.291SS*.Hα-helixtrans-63-14.4177.100000114E14 R15 S20E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 3.11Å; R15-A18 WeakPolarHBondContact O-CB 3.5Å; R15-A18 PolarHBondContact O-N 2.76Å; A18-S20 PolarHBondContact O-N 2.72Å
19L96.4Very high96.3Very high36 Ų3653.8 Ų53.819%0.18829%0.29CS..THydrogen-bonded Turntrans-74.2-2.5170.7-57.5178.2000113.7R15 L16 C17 N21 R24 L129 Y132 I313R15-L19 PolarHBondContact O-N 3.29Å; L16-L19 HydrophobicContact CD2-CD1 4.27Å; L16-L19 WeakPolarHBondContact O-CB 3.43Å; L16-L19 PolarHBondContact O-N 2.86Å; C17-L19 PolarHBondContact O-N 3.41Å; C17-L19 VanDerWaalsContact O-N 3.07Å; L19-N21 PolarHBondContact O-N 3.47Å; L19-R24 PolarHBondContact O-NH2 3.19Å; L19-L129 HydrophobicContact CD1-CD2 4.4Å; L19-Y132 HydrophobicContact CD1-CD2 4.42Å; L19-Y132 HydrophobicContact CD1-CE2 3.92Å; L19-Y132 HydrophobicContact CD2-CE2 4.14Å; L19-I313 HydrophobicContact CD1-CD1 3.87Å; L19-I313 HydrophobicContact CG-CD1 4.19Å
20S96.2Very high96.6Very high48 Ų4852.9 Ų52.934%0.33628%0.282SS..  trans-65.5130.4178.3-73.80000111.2C17 A18 T299 R302C17-S20 VanDerWaalsContact O-CB 3.23Å; C17-S20 WeakPolarHBondContact O-CB 3.37Å; C17-S20 PolarHBondContact O-N 3.03Å; C17-S20 PolarHBondContact O-OG 2.62Å; C17-S20 VanDerWaalsContact O-OG 3.07Å; A18-S20 PolarHBondContact O-N 2.72Å; S20-T299 PolarHBondContact OG-OG1 3.26Å; S20-R302 PolarHBondContact OG-NH1 3.09Å; S20-R302 PolarHBondContact OG-NH2 2.88Å
21N97.4Very high96.9Very high72 Ų7251.5 Ų51.539%0.38528%0.275SS..  trans-144.896.2-176.9-173.3-31.2000109.9L19 T23 R24 L25L19-N21 PolarHBondContact O-N 3.47Å; N21-T23 PolarHBondContact O-N 3.16Å; N21-T23 WeakPolarHBondContact OD1-CB 3.42Å; N21-T23 PolarHBondContact OD1-N 3.49Å; N21-T23 VanDerWaalsContact OD1-N 3.16Å; N21-R24 HydrophobicContact CB-CB 3.9Å; N21-R24 PolarHBondContact O-N 2.74Å; N21-R24 PolarHBondContact OD1-N 2.88Å; N21-L25 PolarHBondContact O-N 2.95Å; N21-L25 VanDerWaalsContact O-N 3.08Å
22S96.9Very high97.1Very high44 Ų4447.9 Ų47.931%0.30826%0.255SS..Hα-helixtrans-61.1-33.9-178.9-53.10000112.6R26 E295S22-R26 WeakPolarHBondContact O-CB 3.29Å; S22-R26 WeakPolarHBondContact O-CD 3.36Å; S22-R26 WeakPolarHBondContact O-CG 3.27Å; S22-R26 PolarHBondContact O-N 2.95Å; S22-E295 VanDerWaalsContact CB-OE1 3.28Å; S22-E295 WeakPolarHBondContact CB-OE1 3.26Å; S22-E295 PolarHBondContact OG-OE1 3.21Å; S22-E295 VanDerWaalsContact OG-OE1 3.09Å; S22-E295 PolarHBondContact OG-OE2 2.74Å
23T98.4Very high97.3Very high90 Ų9048.3 Ų48.355%0.55226%0.258SS*.Hα-helixtrans-66.3-46.1177.2-560000111N21 L25 R26 N27N21-T23 PolarHBondContact O-N 3.16Å; N21-T23 WeakPolarHBondContact OD1-CB 3.42Å; N21-T23 PolarHBondContact OD1-N 3.49Å; N21-T23 VanDerWaalsContact OD1-N 3.16Å; T23-L25 PolarHBondContact O-N 3.02Å; T23-R26 PolarHBondContact O-N 3.47Å; T23-N27 WeakPolarHBondContact O-CB 3.13Å; T23-N27 PolarHBondContact O-N 3.31Å; T23-N27 PolarHBondContact O-ND2 2.99Å; T23-N27 PolarHBondContact O-OD1 2.95Å
24R97.9Very high97.4Very high39 Ų3950.4 Ų50.415%0.14727%0.27CS..Hα-helixtrans-59.5-48.1176-178.4-17862.8-143-13.6111.3L19 N21 R26 N27 Y28 D124 D127L19-R24 PolarHBondContact O-NH2 3.19Å; N21-R24 HydrophobicContact CB-CB 3.9Å; N21-R24 PolarHBondContact O-N 2.74Å; N21-R24 PolarHBondContact OD1-N 2.88Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.39Å; R24-N27 PolarHBondContact O-N 2.84Å; R24-Y28 HydrophobicContact CG-CD2 3.77Å; R24-Y28 HydrophobicContact CG-CE2 3.48Å; R24-Y28 VanDerWaalsContact CG-CE2 3.48Å; R24-Y28 WeakPolarHBondContact O-CD2 3.39Å; R24-Y28 PolarHBondContact O-N 2.9Å; R24-D124 IonicContact CZ-OD1 3.16Å; R24-D124 IonicContact NE-OD1 2.82Å; R24-D124 PolarHBondContact NE-OD1 3.07Å; R24-D124 IonicContact NH2-OD1 3.95Å; R24-D124 PolarHBondContact NH2-OD1 3.43Å; R24-D124 IonicContact NH2-OD2 3.49Å; R24-D127 WeakPolarHBondContact CD-OD1 3.49Å; R24-D127 WeakPolarHBondContact CD-OD2 3.42Å; R24-D127 IonicContact NE-OD1 3.75Å; R24-D127 IonicContact NH1-OD1 2.74Å; R24-D127 PolarHBondContact NH1-OD1 3.43Å
25L98.2Very high97.5Very high7 Ų746.4 Ų46.44%0.03725%0.252CS..Hα-helixtrans-59.4-43.3178.6-178.858.9000112N21 T23 Y28 L29 A120 I121 D124 I294 E295 A298N21-L25 PolarHBondContact O-N 2.95Å; N21-L25 VanDerWaalsContact O-N 3.08Å; T23-L25 PolarHBondContact O-N 3.02Å; L25-Y28 PolarHBondContact O-N 3.21Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 PolarHBondContact O-N 3.09Å; L25-A120 HydrophobicContact CD1-CB 4.28Å; L25-I121 HydrophobicContact CD1-CG1 4.34Å; L25-D124 HydrophobicContact CD1-CB 3.82Å; L25-I294 HydrophobicContact CD2-CG2 3.7Å; L25-I294 HydrophobicContact CG-CG2 4.28Å; L25-E295 HydrophobicContact CD2-CG 4.24Å; L25-A298 HydrophobicContact CD1-CB 4.37Å; L25-A298 HydrophobicContact CD2-CB 3.75Å
26R98.3Very high97.5Very high88 Ų8841 Ų4133%0.33223%0.232SC..Hα-helixtrans-65.4-41.3175.9-73.4169.6-170-95.81.5112.3S22 T23 R24 Y28 L29 Q30 Y291 E295S22-R26 WeakPolarHBondContact O-CB 3.29Å; S22-R26 WeakPolarHBondContact O-CD 3.36Å; S22-R26 WeakPolarHBondContact O-CG 3.27Å; S22-R26 PolarHBondContact O-N 2.95Å; T23-R26 PolarHBondContact O-N 3.47Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.39Å; R26-Y28 VanDerWaalsContact C-N 3.25Å; R26-Y28 PolarHBondContact O-N 2.98Å; R26-L29 PolarHBondContact O-N 2.9Å; R26-L29 VanDerWaalsContact O-N 3.13Å; R26-Q30 WeakPolarHBondContact O-CG 3.49Å; R26-Q30 PolarHBondContact O-N 3.34Å; R26-Y291 HydrophobicContact CG-CD1 4.24Å; R26-Y291 HydrophobicContact CG-CE1 3.74Å; R26-Y291 VanDerWaalsContact CZ-CG 3.44Å; R26-Y291 VanDerWaalsContact NH1-CE1 3.3Å; R26-Y291 VanDerWaalsContact NH1-CE2 3.27Å; R26-Y291 VanDerWaalsContact NH2-CD1 3.34Å; R26-E295 IonicContact NH2-OE1 2.81Å; R26-E295 PolarHBondContact NH2-OE1 3.23Å
27N98.5Very high97.4Very high102 Ų10241 Ų4155%0.54523%0.232SC..Hα-helixtrans-63.8-33.2176.6-70.3-10.1000111.9T23 R24 P31 Y49T23-N27 WeakPolarHBondContact O-CB 3.13Å; T23-N27 PolarHBondContact O-N 3.31Å; T23-N27 PolarHBondContact O-ND2 2.99Å; T23-N27 PolarHBondContact O-OD1 2.95Å; R24-N27 PolarHBondContact O-N 2.84Å; N27-P31 WeakPolarHBondContact O-CD 3.35Å; N27-Y49 PolarHBondContact O-OH 3.08Å
28Y97.9Very high97.1Very high29 Ų2941.4 Ų41.411%0.11423%0.234CC..Hα-helixtrans-71.1-35.1172.2-78.2-50.8000113.4R24 L25 R26 I32 Y49 L123 D127R24-Y28 HydrophobicContact CG-CD2 3.77Å; R24-Y28 HydrophobicContact CG-CE2 3.48Å; R24-Y28 VanDerWaalsContact CG-CE2 3.48Å; R24-Y28 WeakPolarHBondContact O-CD2 3.39Å; R24-Y28 PolarHBondContact O-N 2.9Å; L25-Y28 PolarHBondContact O-N 3.21Å; R26-Y28 VanDerWaalsContact C-N 3.25Å; R26-Y28 PolarHBondContact O-N 2.98Å; Y28-I32 VanDerWaalsContact O-CD1 3.25Å; Y28-I32 WeakPolarHBondContact O-CD1 3.14Å; Y28-I32 WeakPolarHBondContact O-CG1 3.44Å; Y28-Y49 VanDerWaalsContact CA-OH 3.31Å; Y28-Y49 WeakPolarHBondContact CA-OH 3.49Å; Y28-Y49 WeakPolarHBondContact CD1-OH 3.47Å; Y28-Y49 PolarHBondContact O-OH 3.39Å; Y28-L123 HydrophobicContact CD1-CB 3.7Å; Y28-L123 HydrophobicContact CD1-CD1 3.45Å; Y28-L123 VanDerWaalsContact CD1-CD1 3.45Å; Y28-L123 HydrophobicContact CD1-CG 4.17Å; Y28-L123 HydrophobicContact CD2-CB 3.84Å; Y28-L123 HydrophobicContact CE1-CB 4.05Å; Y28-L123 HydrophobicContact CE1-CD1 4.1Å; Y28-L123 HydrophobicContact CE2-CB 4.16Å; Y28-L123 HydrophobicContact CG-CB 3.62Å; Y28-L123 HydrophobicContact CG-CD1 3.97Å; Y28-L123 HydrophobicContact CG-CG 4.46Å; Y28-D127 HydrophobicContact CE2-CB 3.9Å; Y28-D127 PolarHBondContact OH-OD2 3.47Å
29L98.6Very high96.7Very high1 Ų140.4 Ų40.41%0.00523%0.231CC..Hα-helixtrans-76.8-42.5-177.4-178.357.2000113.4L25 R26 I32 L33 A116 V117 A120 L289 Y291L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 PolarHBondContact O-N 3.09Å; R26-L29 PolarHBondContact O-N 2.9Å; R26-L29 VanDerWaalsContact O-N 3.13Å; L29-I32 WeakPolarHBondContact O-CB 3.48Å; L29-I32 PolarHBondContact O-N 3.08Å; L29-L33 HydrophobicContact CD1-CD1 4.35Å; L29-L33 HydrophobicContact CD1-CD2 4.03Å; L29-L33 HydrophobicContact CD1-CG 3.93Å; L29-L33 HydrophobicContact CD2-CD1 4.16Å; L29-L33 HydrophobicContact CG-CD1 3.76Å; L29-L33 HydrophobicContact CG-CD2 4.34Å; L29-L33 HydrophobicContact CG-CG 3.87Å; L29-L33 PolarHBondContact O-N 2.82Å; L29-A116 HydrophobicContact CD1-CB 3.99Å; L29-A116 WeakPolarHBondContact CD1-O 3.22Å; L29-V117 HydrophobicContact CD1-CG2 4.01Å; L29-V117 HydrophobicContact CD2-CG2 4.03Å; L29-A120 HydrophobicContact CB-CB 3.68Å; L29-A120 HydrophobicContact CD1-CB 3.92Å; L29-A120 HydrophobicContact CG-CB 4.36Å; L29-L289 HydrophobicContact CD2-CD1 3.71Å; L29-Y291 HydrophobicContact CD2-CE1 4.37Å
30Q98.4Very high96.5Very high86 Ų8639.8 Ų39.840%0.40223%0.23SC..G310 helixtrans-53.1-46.5-171.1-80.2-67.5-4600114.1R26 I32 L33R26-Q30 WeakPolarHBondContact O-CG 3.49Å; R26-Q30 PolarHBondContact O-N 3.34Å; Q30-I32 PolarHBondContact O-N 2.69Å; Q30-L33 PolarHBondContact O-N 2.68Å
31P98.5Very high96.6Very high54 Ų5444.4 Ų44.435%0.35125%0.251SS..G310 helixtrans-67.9-15.8179.6-23.437.5000114.6N27 Y49N27-P31 WeakPolarHBondContact O-CD 3.35Å; P31-Y49 HydrophobicContact CB-CD1 4Å; P31-Y49 HydrophobicContact CB-CD2 4.1Å; P31-Y49 HydrophobicContact CB-CE1 3.89Å; P31-Y49 HydrophobicContact CB-CE2 4Å; P31-Y49 HydrophobicContact CB-CG 4.09Å; P31-Y49 HydrophobicContact CG-CD2 4.33Å; P31-Y49 HydrophobicContact CG-CE1 4.09Å; P31-Y49 HydrophobicContact CG-CE2 3.76Å
32I98.2Very high96.6Very high0 Ų043.6 Ų43.60%025%0.247CC..G310 helixtrans-93.4-22.4-178.1-46.3173000110.9Y28 L29 Q30 V34 R36 V46 Y49 L50 A116 C119Y28-I32 VanDerWaalsContact O-CD1 3.25Å; Y28-I32 WeakPolarHBondContact O-CD1 3.14Å; Y28-I32 WeakPolarHBondContact O-CG1 3.44Å; L29-I32 WeakPolarHBondContact O-CB 3.48Å; L29-I32 PolarHBondContact O-N 3.08Å; Q30-I32 PolarHBondContact O-N 2.69Å; I32-V34 PolarHBondContact O-N 2.95Å; I32-R36 PolarHBondContact O-NH1 3.37Å; I32-V46 HydrophobicContact CG2-CG1 4.09Å; I32-Y49 HydrophobicContact CD1-CE1 4.22Å; I32-Y49 HydrophobicContact CG1-CD1 4.12Å; I32-Y49 HydrophobicContact CG1-CE1 3.92Å; I32-L50 HydrophobicContact CD1-CD2 3.78Å; I32-L50 HydrophobicContact CG1-CD2 4.38Å; I32-A116 HydrophobicContact CB-CB 4.24Å; I32-A116 HydrophobicContact CG2-CB 3.72Å; I32-C119 HydrophobicContact CD1-CB 3.65Å; I32-C119 HydrophobicContact CG2-CB 4.49Å
33L98.4Very high96.5Very high21 Ų2141.7 Ų41.711%0.1123%0.233CC..  trans-72.853.7178-70.3176.2000112.9L29 Q30 I110 A112 A116 Q286 L289L29-L33 HydrophobicContact CD1-CD1 4.35Å; L29-L33 HydrophobicContact CD1-CD2 4.03Å; L29-L33 HydrophobicContact CD1-CG 3.93Å; L29-L33 HydrophobicContact CD2-CD1 4.16Å; L29-L33 HydrophobicContact CG-CD1 3.76Å; L29-L33 HydrophobicContact CG-CD2 4.34Å; L29-L33 HydrophobicContact CG-CG 3.87Å; L29-L33 PolarHBondContact O-N 2.82Å; Q30-L33 PolarHBondContact O-N 2.68Å; L33-I110 HydrophobicContact CB-CG2 4.39Å; L33-I110 HydrophobicContact CD2-CG2 4.15Å; L33-A112 HydrophobicContact CD2-CB 3.66Å; L33-A116 HydrophobicContact CD2-CB 4.03Å; L33-Q286 HydrophobicContact CD1-CB 4.18Å; L33-Q286 HydrophobicContact CD1-CG 4.09Å; L33-L289 HydrophobicContact CD1-CD1 4.34Å; L33-L289 HydrophobicContact CD2-CD1 4.29Å
34V98Very high96.3Very high43 Ų4340.2 Ų40.226%0.26122%0.224SC..SBendtrans-131.9151.7172.7-64.10000108.7I32 R36 N42 V46I32-V34 PolarHBondContact O-N 2.95Å; V34-R36 PolarHBondContact O-N 2.87Å; V34-R36 PolarHBondContact O-NH1 2.91Å; V34-R36 VanDerWaalsContact O-NH1 3.13Å; V34-N42 HydrophobicContact CG2-CB 3.99Å; V34-V46 HydrophobicContact CG2-CG2 3.82Å
35S97.5Very high96.3Very high7 Ų746.9 Ų46.95%0.04925%0.249CC..  trans-61.7123.4167.7176.60000109.4P37 N42 D108S35-P37 VanDerWaalsContact C-CD 3.47Å; S35-P37 WeakPolarHBondContact OG-CD 3.17Å; S35-N42 WeakPolarHBondContact O-CB 3.5Å; S35-N42 PolarHBondContact O-ND2 3.08Å; S35-D108 WeakPolarHBondContact CB-OD1 3.44Å; S35-D108 WeakPolarHBondContact CB-OD2 3.31Å; S35-D108 PolarHBondContact OG-OD1 3.33Å
36R96.2Very high96.2Very high0 Ų046.5 Ų46.50%025%0.247CC..  trans-135.548.4-171.558.8-164.7-176.1-79.4-18.3113.8I32 V34 H43 V46 Y98 S100 I110 G111 D114I32-R36 PolarHBondContact O-NH1 3.37Å; V34-R36 PolarHBondContact O-N 2.87Å; V34-R36 PolarHBondContact O-NH1 2.91Å; V34-R36 VanDerWaalsContact O-NH1 3.13Å; R36-H43 HydrophobicContact CB-CB 4.34Å; R36-H43 PolarHBondContact O-ND1 3.16Å; R36-V46 HydrophobicContact CB-CG2 4.5Å; R36-Y98 WeakPolarHBondContact CD-O 3.18Å; R36-Y98 WeakPolarHBondContact CG-O 3.41Å; R36-Y98 PolarHBondContact NE-O 3.28Å; R36-S100 PolarHBondContact N-OG 3.08Å; R36-S100 PolarHBondContact O-N 3.36Å; R36-I110 PolarHBondContact NH1-O 3.2Å; R36-G111 PolarHBondContact NH2-O 3.05Å; R36-D114 PolarHBondContact NH2-O 3.22Å
37P93.1Very high95.9Very high2 Ų243.9 Ų43.91%0.01324%0.238CC..  trans-54.1145.5170.3-25.733.8000112.8S35 G39 S40 H43 S100 D102S35-P37 VanDerWaalsContact C-CD 3.47Å; S35-P37 WeakPolarHBondContact OG-CD 3.17Å; P37-G39 PolarHBondContact O-N 3.11Å; P37-S40 VanDerWaalsContact O-CB 3.29Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 2.98Å; P37-S40 PolarHBondContact O-OG 2.95Å; P37-H43 WeakPolarHBondContact O-CB 3.41Å; P37-S100 WeakPolarHBondContact CA-O 3.44Å; P37-D102 HydrophobicContact CB-CB 4Å; P37-D102 HydrophobicContact CG-CB 4.23Å
38V89.8Confident95.8Very high22 Ų2245.9 Ų45.913%0.13324%0.242CC..THydrogen-bonded Turntrans-54.5123.9179.21790000111.2K75 F77 D99V38-K75 HydrophobicContact CG1-CB 4.39Å; V38-K75 PolarHBondContact O-NZ 2.72Å; V38-F77 HydrophobicContact CB-CE1 4.21Å; V38-F77 HydrophobicContact CG1-CD1 3.83Å; V38-F77 HydrophobicContact CG1-CE1 3.67Å; V38-F77 HydrophobicContact CG1-CG 4.4Å; V38-F77 HydrophobicContact CG1-CZ 4.09Å; V38-F77 HydrophobicContact CG2-CD1 4.14Å; V38-F77 HydrophobicContact CG2-CE1 3.86Å; V38-D99 HydrophobicContact CG2-CB 3.92Å
39G87.1Confident95.8Very high57 Ų5747.2 Ų47.259%0.58825%0.247SC*.THydrogen-bonded Turntrans88.31.2-17800000115.4P37P37-G39 PolarHBondContact O-N 3.11Å
40S93.6Very high95.6Very high23 Ų2347.3 Ų47.316%0.16125%0.248CC..SBendtrans-78.2158.7170.565.80000112.5P37 N42 H43 V44P37-S40 VanDerWaalsContact O-CB 3.29Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 2.98Å; P37-S40 PolarHBondContact O-OG 2.95Å; S40-N42 VanDerWaalsContact C-N 3.29Å; S40-N42 PolarHBondContact O-N 3.13Å; S40-H43 VanDerWaalsContact O-CB 3.32Å; S40-H43 WeakPolarHBondContact O-CB 3.46Å; S40-H43 PolarHBondContact O-N 2.75Å; S40-H43 VanDerWaalsContact O-N 3.13Å; S40-H43 VanDerWaalsContact OG-CB 3.27Å; S40-H43 WeakPolarHBondContact OG-CB 3.34Å; S40-H43 PolarHBondContact OG-N 2.92Å; S40-H43 VanDerWaalsContact OG-N 3.16Å; S40-V44 PolarHBondContact O-N 3.33Å
41D97.1Very high95.2Very high146 Ų14643.9 Ų43.978%0.78123%0.233SC*.Hα-helixtrans-60.6-39.4175.2-68.9-22.6000112.3H43 V44 R45D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3.05Å; D41-V44 PolarHBondContact O-N 2.77Å; D41-R45 WeakPolarHBondContact O-CB 3.33Å; D41-R45 PolarHBondContact O-N 2.95Å
42N97.5Very high95.1Very high55 Ų5546.5 Ų46.529%0.29424%0.239SC..Hα-helixtrans-63.3-38.6175.4-80.3-17.5000111.9V34 S35 S40 V44 R45 V46V34-N42 HydrophobicContact CG2-CB 3.99Å; S35-N42 WeakPolarHBondContact O-CB 3.5Å; S35-N42 PolarHBondContact O-ND2 3.08Å; S40-N42 VanDerWaalsContact C-N 3.29Å; S40-N42 PolarHBondContact O-N 3.13Å; N42-V44 VanDerWaalsContact C-N 3.34Å; N42-V44 PolarHBondContact O-N 2.81Å; N42-R45 PolarHBondContact O-N 3.35Å; N42-V46 WeakPolarHBondContact O-CB 3.45Å; N42-V46 WeakPolarHBondContact O-CG2 3.23Å; N42-V46 PolarHBondContact O-N 2.88Å
43H94.4Very high95Very high4 Ų447.1 Ų47.12%0.01924%0.244CC..Hα-helixtrans-60.1-44.9175.3-177.691.2000111.9R36 P37 S40 D41 V46 Q47 Y98 Q146R36-H43 HydrophobicContact CB-CB 4.34Å; R36-H43 PolarHBondContact O-ND1 3.16Å; P37-H43 WeakPolarHBondContact O-CB 3.41Å; S40-H43 VanDerWaalsContact O-CB 3.32Å; S40-H43 WeakPolarHBondContact O-CB 3.46Å; S40-H43 PolarHBondContact O-N 2.75Å; S40-H43 VanDerWaalsContact O-N 3.13Å; S40-H43 VanDerWaalsContact OG-CB 3.27Å; S40-H43 WeakPolarHBondContact OG-CB 3.34Å; S40-H43 PolarHBondContact OG-N 2.92Å; S40-H43 VanDerWaalsContact OG-N 3.16Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3.05Å; H43-V46 PolarHBondContact O-N 3.49Å; H43-Q47 WeakPolarHBondContact O-CB 3.39Å; H43-Q47 PolarHBondContact O-N 2.89Å; H43-Y98 AromaticContact CE1-CE2 3.34Å; H43-Y98 WeakPolarHBondContact CE1-CE2 3.42Å; H43-Y98 AromaticContact CE1-CZ 3.7Å; H43-Y98 AromaticContact ND1-CE2 3.81Å; H43-Y98 AromaticContact NE2-CE2 3.59Å; H43-Y98 AromaticContact NE2-CZ 3.68Å; H43-Y98 PolarHBondContact NE2-OH 3.47Å; H43-Q146 PolarHBondContact CE1-NE2 3.49Å; H43-Q146 PolarHBondContact NE2-NE2 3.32Å; H43-Q146 PolarHBondContact NE2-OE1 3.26Å
44V95.2Very high94.6Very high59 Ų5946.5 Ų46.536%0.35824%0.24SC..Hα-helixtrans-65.7-39.8175.2178.50000111.4S40 D41 N42 Q47 K48S40-V44 PolarHBondContact O-N 3.33Å; D41-V44 PolarHBondContact O-N 2.77Å; N42-V44 VanDerWaalsContact C-N 3.34Å; N42-V44 PolarHBondContact O-N 2.81Å; V44-Q47 PolarHBondContact O-N 3.31Å; V44-K48 HydrophobicContact CG1-CD 4.33Å; V44-K48 WeakPolarHBondContact O-CG 3.4Å; V44-K48 PolarHBondContact O-N 3.32Å
45R97.8Very high94.3Very high178 Ų17848.9 Ų48.967%0.67225%0.249SC*.Hα-helixtrans-62.4-47.2176.4178.3180-92.3171.8-6.9111.6D41 N42 K48 Y49D41-R45 WeakPolarHBondContact O-CB 3.33Å; D41-R45 PolarHBondContact O-N 2.95Å; N42-R45 PolarHBondContact O-N 3.35Å; R45-K48 PolarHBondContact O-N 2.9Å; R45-Y49 WeakPolarHBondContact O-CB 3.44Å; R45-Y49 PolarHBondContact O-N 3.27Å
46V96.2Very high94.1Very high0 Ų053.7 Ų53.70%027%0.274CS..Hα-helixtrans-63.7-43.7177.4171.50000110.4I32 V34 R36 N42 H43 K48 Y49 L50 Y98I32-V46 HydrophobicContact CG2-CG1 4.09Å; V34-V46 HydrophobicContact CG2-CG2 3.82Å; R36-V46 HydrophobicContact CB-CG2 4.5Å; N42-V46 WeakPolarHBondContact O-CB 3.45Å; N42-V46 WeakPolarHBondContact O-CG2 3.23Å; N42-V46 PolarHBondContact O-N 2.88Å; H43-V46 PolarHBondContact O-N 3.49Å; V46-K48 VanDerWaalsContact C-N 3.33Å; V46-K48 PolarHBondContact O-N 3.46Å; V46-Y49 WeakPolarHBondContact O-CB 3.37Å; V46-Y49 PolarHBondContact O-N 3.28Å; V46-Y49 VanDerWaalsContact O-N 3.15Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.1Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.93Å; V46-Y98 HydrophobicContact CG1-CD2 4.02Å
47Q92.7Very high93.8Very high33 Ų3354.3 Ų54.315%0.15428%0.277CS..Hα-helixtrans-55.3-47.5175.8179.7-174-3800112.2H43 V44 S51 T78 I80 Y98H43-Q47 WeakPolarHBondContact O-CB 3.39Å; H43-Q47 PolarHBondContact O-N 2.89Å; V44-Q47 PolarHBondContact O-N 3.31Å; Q47-S51 WeakPolarHBondContact O-CB 3.32Å; Q47-S51 PolarHBondContact O-N 3.34Å; Q47-S51 PolarHBondContact O-OG 3.17Å; Q47-T78 VanDerWaalsContact NE2-CG2 3.31Å; Q47-I80 HydrophobicContact CB-CD1 4.32Å; Q47-I80 HydrophobicContact CG-CD1 3.85Å; Q47-I80 HydrophobicContact CG-CG1 4.19Å; Q47-Y98 HydrophobicContact CB-CE2 3.96Å; Q47-Y98 WeakPolarHBondContact CB-OH 3.29Å; Q47-Y98 VanDerWaalsContact CG-OH 3.32Å; Q47-Y98 WeakPolarHBondContact CG-OH 3.37Å; Q47-Y98 PolarHBondContact OE1-OH 3.47Å; Q47-Y98 VanDerWaalsContact OE1-OH 3.07Å
48K96.4Very high93.5Very high143 Ų14356.8 Ų56.862%0.62230%0.303SS*.Hα-helixtrans-64-43176.9-72.8175.6-179.4178.60111.6V44 R45 V46 S51 K52V44-K48 HydrophobicContact CG1-CD 4.33Å; V44-K48 WeakPolarHBondContact O-CG 3.4Å; V44-K48 PolarHBondContact O-N 3.32Å; R45-K48 PolarHBondContact O-N 2.9Å; V46-K48 VanDerWaalsContact C-N 3.33Å; V46-K48 PolarHBondContact O-N 3.46Å; K48-S51 PolarHBondContact O-N 3.44Å; K48-K52 VanDerWaalsContact O-CB 3.24Å; K48-K52 WeakPolarHBondContact O-CB 3.14Å; K48-K52 PolarHBondContact O-N 2.88Å
49Y97.3Very high93.4Very high57 Ų5756 Ų5622%0.22430%0.298CS..Hα-helixtrans-59.7-48.8177.8170.5-104.6000112.4N27 Y28 P31 I32 R45 V46 K52 S53 L123N27-Y49 PolarHBondContact O-OH 3.08Å; Y28-Y49 VanDerWaalsContact CA-OH 3.31Å; Y28-Y49 WeakPolarHBondContact CA-OH 3.49Å; Y28-Y49 WeakPolarHBondContact CD1-OH 3.47Å; Y28-Y49 PolarHBondContact O-OH 3.39Å; P31-Y49 HydrophobicContact CB-CD1 4Å; P31-Y49 HydrophobicContact CB-CD2 4.1Å; P31-Y49 HydrophobicContact CB-CE1 3.89Å; P31-Y49 HydrophobicContact CB-CE2 4Å; P31-Y49 HydrophobicContact CB-CG 4.09Å; P31-Y49 HydrophobicContact CG-CD2 4.33Å; P31-Y49 HydrophobicContact CG-CE1 4.09Å; P31-Y49 HydrophobicContact CG-CE2 3.76Å; I32-Y49 HydrophobicContact CD1-CE1 4.22Å; I32-Y49 HydrophobicContact CG1-CD1 4.12Å; I32-Y49 HydrophobicContact CG1-CE1 3.92Å; R45-Y49 WeakPolarHBondContact O-CB 3.44Å; R45-Y49 PolarHBondContact O-N 3.27Å; V46-Y49 WeakPolarHBondContact O-CB 3.37Å; V46-Y49 PolarHBondContact O-N 3.28Å; V46-Y49 VanDerWaalsContact O-N 3.15Å; Y49-K52 PolarHBondContact O-N 2.75Å; Y49-S53 WeakPolarHBondContact O-CB 3.37Å; Y49-S53 PolarHBondContact O-N 3.42Å; Y49-S53 PolarHBondContact O-OG 2.81Å; Y49-L123 HydrophobicContact CE1-CD1 4.17Å
50L93.4Very high93.3Very high3 Ų358.5 Ų58.52%0.01629%0.292CS..Hα-helixtrans-62.3-48.5178.3-67178.5000111.2I32 V46 K52 S53 M54 I80 Y98 C119 L123 V144I32-L50 HydrophobicContact CD1-CD2 3.78Å; I32-L50 HydrophobicContact CG1-CD2 4.38Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.1Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.93Å; L50-K52 PolarHBondContact O-N 3.11Å; L50-S53 PolarHBondContact O-N 3.21Å; L50-M54 WeakPolarHBondContact O-CG 3.39Å; L50-M54 PolarHBondContact O-N 2.94Å; L50-M54 VanDerWaalsContact O-N 3.09Å; L50-I80 HydrophobicContact CB-CD1 3.81Å; L50-I80 HydrophobicContact CD1-CD1 4.05Å; L50-Y98 HydrophobicContact CD1-CD2 4.27Å; L50-Y98 HydrophobicContact CD1-CG 3.97Å; L50-C119 HydrophobicContact CD2-CB 4.41Å; L50-L123 HydrophobicContact CD2-CD1 3.82Å; L50-L123 HydrophobicContact CD2-CG 4.48Å; L50-V144 HydrophobicContact CD1-CG1 4.05Å
51S90.4Very high92.8Very high14 Ų1458.7 Ų58.710%0.09829%0.292CS..Hα-helixtrans-58.3-50178.6-56.80000110.8Q47 K48 S53 M54 E55Q47-S51 WeakPolarHBondContact O-CB 3.32Å; Q47-S51 PolarHBondContact O-N 3.34Å; Q47-S51 PolarHBondContact O-OG 3.17Å; K48-S51 PolarHBondContact O-N 3.44Å; S51-S53 PolarHBondContact O-N 2.89Å; S51-M54 PolarHBondContact O-N 3.49Å; S51-E55 WeakPolarHBondContact O-CG 3.34Å; S51-E55 PolarHBondContact O-N 3.35Å
52K96.9Very high92.1Very high109 Ų10954.6 Ų54.647%0.47427%0.269SS..Hα-helixtrans-65.9-37.9-178.5-170.953.5172.2169.40112.9K48 Y49 L50 M54 E55 N56K48-K52 VanDerWaalsContact O-CB 3.24Å; K48-K52 WeakPolarHBondContact O-CB 3.14Å; K48-K52 PolarHBondContact O-N 2.88Å; Y49-K52 PolarHBondContact O-N 2.75Å; L50-K52 PolarHBondContact O-N 3.11Å; K52-M54 VanDerWaalsContact C-N 3.32Å; K52-M54 PolarHBondContact O-N 3.12Å; K52-E55 WeakPolarHBondContact CD-OE2 3.43Å; K52-E55 IonicContact NZ-OE2 3.77Å; K52-E55 PolarHBondContact O-N 2.77Å; K52-N56 VanDerWaalsContact CE-OD1 3.23Å; K52-N56 WeakPolarHBondContact CE-OD1 3.38Å; K52-N56 PolarHBondContact NZ-OD1 3.04Å; K52-N56 WeakPolarHBondContact O-CB 3.29Å; K52-N56 PolarHBondContact O-N 3.34Å; K52-N56 PolarHBondContact O-ND2 3.01Å; K52-N56 PolarHBondContact O-OD1 2.96Å
53S95Very high91.3Very high14 Ų1453.8 Ų53.810%0.09827%0.27CS..Hα-helixtrans-60.4-44.7175.6-60.50000110.8Y49 L50 S51 N56 L57Y49-S53 WeakPolarHBondContact O-CB 3.37Å; Y49-S53 PolarHBondContact O-N 3.42Å; Y49-S53 PolarHBondContact O-OG 2.81Å; L50-S53 PolarHBondContact O-N 3.21Å; S51-S53 PolarHBondContact O-N 2.89Å; S53-N56 PolarHBondContact O-N 2.93Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.36Å
54M90Very high90.3Very high7 Ų759.7 Ų59.73%0.03430%0.297CS..Hα-helixtrans-67.9-42.1177.7-69.4-54.2-60.300113.2L50 S51 K52 N56 L57 G58 Y59 V61 A82 L123 A126 L142L50-M54 WeakPolarHBondContact O-CG 3.39Å; L50-M54 PolarHBondContact O-N 2.94Å; L50-M54 VanDerWaalsContact O-N 3.09Å; S51-M54 PolarHBondContact O-N 3.49Å; K52-M54 VanDerWaalsContact C-N 3.32Å; K52-M54 PolarHBondContact O-N 3.12Å; M54-N56 VanDerWaalsContact C-N 3.34Å; M54-N56 PolarHBondContact O-N 3.23Å; M54-L57 CarbonylContact O-C 3.46Å; M54-L57 WeakPolarHBondContact O-CA 3.4Å; M54-L57 WeakPolarHBondContact O-CB 3.3Å; M54-L57 PolarHBondContact O-N 3.19Å; M54-L57 VanDerWaalsContact O-N 3.13Å; M54-G58 PolarHBondContact O-N 2.88Å; M54-Y59 HydrophobicContact CE-CD1 3.36Å; M54-Y59 HydrophobicContact CE-CD2 3.51Å; M54-Y59 HydrophobicContact CE-CE1 3.65Å; M54-Y59 HydrophobicContact CE-CE2 3.78Å; M54-Y59 HydrophobicContact CE-CG 3.31Å; M54-Y59 WeakPolarHBondContact O-CB 3.37Å; M54-Y59 PolarHBondContact O-N 3.43Å; M54-Y59 VanDerWaalsContact O-N 3.11Å; M54-V61 HydrophobicContact CB-CG2 3.69Å; M54-A82 HydrophobicContact CB-CB 3.79Å; M54-A82 HydrophobicContact CE-CB 3.44Å; M54-A82 VanDerWaalsContact CE-CB 3.44Å; M54-A82 HydrophobicContact CG-CB 3.74Å; M54-A82 HydrophobicContact SD-CB 4.37Å; M54-L123 HydrophobicContact CG-CD2 3.93Å; M54-L123 HydrophobicContact SD-CD2 3.43Å; M54-L123 WeakPolarHBondContact SD-CD2 3.35Å; M54-A126 HydrophobicContact CE-CB 4.07Å; M54-A126 HydrophobicContact SD-CB 4.07Å; M54-L142 HydrophobicContact CE-CB 3.99Å; M54-L142 HydrophobicContact CE-CD1 3.36Å; M54-L142 HydrophobicContact CE-CG 4.31Å; M54-L142 HydrophobicContact SD-CD1 4.22Å
55E92.3Very high89.8Confident94 Ų9461.1 Ų61.144%0.43931%0.308SS..Hα-helixtrans-59.9-42.9174.8-73.5173172.500112.1S51 K52 L57 G58 V61S51-E55 WeakPolarHBondContact O-CG 3.34Å; S51-E55 PolarHBondContact O-N 3.35Å; K52-E55 WeakPolarHBondContact CD-OE2 3.43Å; K52-E55 IonicContact NZ-OE2 3.77Å; K52-E55 PolarHBondContact O-N 2.77Å; E55-L57 PolarHBondContact O-N 2.77Å; E55-G58 WeakPolarHBondContact O-CA 3.48Å; E55-G58 PolarHBondContact O-N 2.96Å; E55-V61 HydrophobicContact CG-CB 4.05Å; E55-V61 HydrophobicContact CG-CG2 3.71Å
56N94.2Very high89Confident108 Ų10854.7 Ų54.758%0.57828%0.284SS*.Hα-helixtrans-64-26177.7-68.9-12.2000112K52 S53 M54 G58K52-N56 VanDerWaalsContact CE-OD1 3.23Å; K52-N56 WeakPolarHBondContact CE-OD1 3.38Å; K52-N56 PolarHBondContact NZ-OD1 3.04Å; K52-N56 WeakPolarHBondContact O-CB 3.29Å; K52-N56 PolarHBondContact O-N 3.34Å; K52-N56 PolarHBondContact O-ND2 3.01Å; K52-N56 PolarHBondContact O-OD1 2.96Å; S53-N56 PolarHBondContact O-N 2.93Å; M54-N56 VanDerWaalsContact C-N 3.34Å; M54-N56 PolarHBondContact O-N 3.23Å; N56-G58 PolarHBondContact O-N 3.3Å
57L89.3Confident88.4Confident13 Ų1358.7 Ų58.77%0.06831%0.309CS..THydrogen-bonded Turntrans-84.610.7170.9-62.3174.1000112.9S53 M54 E55 Y59 A126 D127 Q130S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.36Å; M54-L57 CarbonylContact O-C 3.46Å; M54-L57 WeakPolarHBondContact O-CA 3.4Å; M54-L57 WeakPolarHBondContact O-CB 3.3Å; M54-L57 PolarHBondContact O-N 3.19Å; M54-L57 VanDerWaalsContact O-N 3.13Å; E55-L57 PolarHBondContact O-N 2.77Å; L57-Y59 VanDerWaalsContact C-N 3.3Å; L57-Y59 HydrophobicContact CB-CD2 3.83Å; L57-Y59 HydrophobicContact CB-CE2 4.03Å; L57-Y59 WeakPolarHBondContact O-CD2 3.45Å; L57-Y59 PolarHBondContact O-N 3.39Å; L57-A126 HydrophobicContact CD1-CB 3.84Å; L57-D127 HydrophobicContact CD1-CB 3.94Å; L57-D127 HydrophobicContact CD2-CB 3.99Å; L57-Q130 HydrophobicContact CB-CG 4.43Å; L57-Q130 VanDerWaalsContact O-CG 3.31Å; L57-Q130 WeakPolarHBondContact O-CG 3.37Å; L57-Q130 PolarHBondContact O-NE2 2.8Å
58G87.6Confident87.8Confident53 Ų5358.4 Ų58.455%0.54631%0.309SS..THydrogen-bonded Turntrans74.514.3175.800000114.8M54 E55 N56M54-G58 PolarHBondContact O-N 2.88Å; E55-G58 WeakPolarHBondContact O-CA 3.48Å; E55-G58 PolarHBondContact O-N 2.96Å; N56-G58 PolarHBondContact O-N 3.3Å
59Y86.3Confident87.3Confident7 Ų757.9 Ų57.93%0.02731%0.308CS..PPolyproline II helixtrans-78.9141.2172.6-72-113.6000110M54 L57 V61 A82 L84 A126 V140 L142M54-Y59 HydrophobicContact CE-CD1 3.36Å; M54-Y59 HydrophobicContact CE-CD2 3.51Å; M54-Y59 HydrophobicContact CE-CE1 3.65Å; M54-Y59 HydrophobicContact CE-CE2 3.78Å; M54-Y59 HydrophobicContact CE-CG 3.31Å; M54-Y59 WeakPolarHBondContact O-CB 3.37Å; M54-Y59 PolarHBondContact O-N 3.43Å; M54-Y59 VanDerWaalsContact O-N 3.11Å; L57-Y59 VanDerWaalsContact C-N 3.3Å; L57-Y59 HydrophobicContact CB-CD2 3.83Å; L57-Y59 HydrophobicContact CB-CE2 4.03Å; L57-Y59 WeakPolarHBondContact O-CD2 3.45Å; L57-Y59 PolarHBondContact O-N 3.39Å; Y59-V61 PolarHBondContact O-N 3.11Å; Y59-A82 HydrophobicContact CD1-CB 4.22Å; Y59-A82 HydrophobicContact CG-CB 4.45Å; Y59-L84 HydrophobicContact CD1-CB 3.81Å; Y59-L84 HydrophobicContact CD2-CD1 4.04Å; Y59-L84 HydrophobicContact CE1-CB 3.56Å; Y59-L84 HydrophobicContact CE1-CD1 4.39Å; Y59-L84 HydrophobicContact CE1-CG 4.44Å; Y59-L84 HydrophobicContact CE2-CD1 3.91Å; Y59-L84 HydrophobicContact CG-CB 4.4Å; Y59-L84 HydrophobicContact CG-CD1 4.32Å; Y59-A126 HydrophobicContact CE2-CB 4.17Å; Y59-V140 HydrophobicContact CE1-CB 4.49Å; Y59-L142 HydrophobicContact CD1-CD1 4.46Å; Y59-L142 HydrophobicContact CE1-CD1 3.66Å
60K84.9Confident86.5Confident108 Ų10856.2 Ų56.247%0.4730%0.304SS..EExtended strand (participates in β ladder)trans-73119.2164.9-173.9-171.1178.1-147.70108.3E62 A82 T83 P86K60-E62 WeakPolarHBondContact CE-OE1 3.33Å; K60-E62 IonicContact NZ-OE1 3.14Å; K60-E62 PolarHBondContact NZ-OE1 3.27Å; K60-A82 CarbonylContact O-C 3.59Å; K60-A82 WeakPolarHBondContact O-CA 3.4Å; K60-T83 PolarHBondContact N-O 3.18Å; K60-T83 PolarHBondContact O-N 2.95Å; K60-P86 HydrophobicContact CB-CG 3.78Å; K60-P86 HydrophobicContact CD-CB 4.25Å; K60-P86 HydrophobicContact CD-CG 3.55Å; K60-P86 HydrophobicContact CG-CG 4.29Å
61V83.3Confident85.9Confident28 Ų2861 Ų6117%0.1733%0.33CS..EExtended strand (participates in β ladder)trans-102.6132.8178.8-179.20000110.3M54 E55 Y59 I80 I81 A82M54-V61 HydrophobicContact CB-CG2 3.69Å; E55-V61 HydrophobicContact CG-CB 4.05Å; E55-V61 HydrophobicContact CG-CG2 3.71Å; Y59-V61 PolarHBondContact O-N 3.11Å; V61-I80 HydrophobicContact CG1-CG2 3.85Å; V61-I81 CarbonylContact C-O 3.56Å; V61-I81 WeakPolarHBondContact CA-O 3.4Å; V61-A82 HydrophobicContact CG2-CB 4.09Å
62E83.1Confident85.5Confident60 Ų6064.8 Ų64.828%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-120.5123.2172.5-66.7172.3-15200107.8K60 I81K60-E62 WeakPolarHBondContact CE-OE1 3.33Å; K60-E62 IonicContact NZ-OE1 3.14Å; K60-E62 PolarHBondContact NZ-OE1 3.27Å; E62-I81 HydrophobicContact CB-CB 4.45Å; E62-I81 PolarHBondContact N-O 2.85Å; E62-I81 PolarHBondContact O-N 3.27Å
63A81Confident85Confident38 Ų3860.8 Ų60.831%0.31434%0.342SS..  trans-141.567.3-174.500000111T78 N79A63-T78 HydrophobicContact CB-CG2 3.82Å; A63-T78 WeakPolarHBondContact O-CG2 3.44Å; A63-N79 WeakPolarHBondContact CA-O 3.44Å
64E74.1Confident84.6Confident128 Ų12864.1 Ų64.160%0.59836%0.363SS*.  trans-86.1125.2-178-67.5-179.1166.400111.2
65P84.3Confident84.4Confident89 Ų8967 Ų6758%0.57838%0.375SS*.EExtended strand (participates in β ladder)trans-75.9147.9178.830.9-34.3000111.5T76 F77P65-T76 HydrophobicContact CB-CG2 3.92Å; P65-F77 CarbonylContact C-O 3.47Å; P65-F77 WeakPolarHBondContact CA-O 3.49Å
66F81.1Confident84.1Confident42 Ų4266.1 Ų66.118%0.18438%0.376CS..EExtended strand (participates in β ladder)trans-141.8147.9171.159.7-86.1000110.1L68 T76 F77 A179F66-L68 HydrophobicContact CD2-CD1 4.05Å; F66-L68 HydrophobicContact CD2-CD2 4.43Å; F66-L68 HydrophobicContact CD2-CG 3.89Å; F66-L68 HydrophobicContact CE2-CD1 3.62Å; F66-L68 HydrophobicContact CE2-CG 3.99Å; F66-T76 WeakPolarHBondContact O-CA 3.49Å; F66-F77 HydrophobicContact CD2-CB 4.21Å; F66-F77 HydrophobicContact CE1-CB 4Å; F66-F77 HydrophobicContact CE2-CB 3.58Å; F66-F77 HydrophobicContact CE2-CD2 4.19Å; F66-F77 HydrophobicContact CE2-CG 4.08Å; F66-F77 HydrophobicContact CZ-CB 3.46Å; F66-F77 VanDerWaalsContact CZ-CB 3.46Å; F66-F77 HydrophobicContact CZ-CG 4.31Å; F66-F77 PolarHBondContact N-O 3.48Å; F66-F77 PolarHBondContact O-N 2.85Å; F66-A179 HydrophobicContact CD1-CB 3.96Å; F66-A179 HydrophobicContact CD2-CB 3.52Å; F66-A179 HydrophobicContact CE1-CB 3.85Å; F66-A179 HydrophobicContact CE2-CB 3.41Å; F66-A179 VanDerWaalsContact CE2-CB 3.41Å; F66-A179 HydrophobicContact CG-CB 3.82Å; F66-A179 HydrophobicContact CZ-CB 3.58Å
67T84Confident83.7Confident85 Ų8561.2 Ų61.252%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-107.2134.6-179.3-56.50000110.3P74 K75 T76T67-P74 HydrophobicContact CG2-CB 4.08Å; T67-K75 WeakPolarHBondContact CA-O 3.31Å; T67-K75 WeakPolarHBondContact CG2-O 3.48Å; T67-T76 PolarHBondContact OG1-OG1 2.86Å
68L79.9Confident83.4Confident27 Ų2761.1 Ų61.114%0.14135%0.35CS..EExtended strand (participates in β ladder)trans-124.5148.7175.4-64.9173.3000110.3F66 P74 K75 F77 H148 R177F66-L68 HydrophobicContact CD2-CD1 4.05Å; F66-L68 HydrophobicContact CD2-CD2 4.43Å; F66-L68 HydrophobicContact CD2-CG 3.89Å; F66-L68 HydrophobicContact CE2-CD1 3.62Å; F66-L68 HydrophobicContact CE2-CG 3.99Å; L68-P74 WeakPolarHBondContact O-CA 3.33Å; L68-K75 PolarHBondContact N-O 2.85Å; L68-K75 PolarHBondContact O-N 2.94Å; L68-F77 HydrophobicContact CB-CD2 4.28Å; L68-F77 HydrophobicContact CB-CE2 3.98Å; L68-F77 HydrophobicContact CD1-CD2 4.3Å; L68-F77 HydrophobicContact CD1-CE2 4.41Å; L68-F77 HydrophobicContact CG-CD2 4.38Å; L68-H148 WeakPolarHBondContact CD1-CE1 3.39Å; L68-R177 WeakPolarHBondContact CD1-O 2.93Å
69Q84.5Confident83.2Confident131 Ų13159.7 Ų59.761%0.61233%0.33SS*.EExtended strand (participates in β ladder)trans-77128.9168.1-66-60.4-19.600109.5
70T80.9Confident83Confident22 Ų2259.5 Ų59.514%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-124.4170.3178.382.70000110V72 G73 K75 F77 H148T70-V72 PolarHBondContact O-N 3.37Å; T70-V72 VanDerWaalsContact O-N 3.12Å; T70-V72 VanDerWaalsContact OG1-CG2 3.26Å; T70-V72 WeakPolarHBondContact OG1-CG2 3.39Å; T70-V72 PolarHBondContact OG1-N 3.38Å; T70-G73 WeakPolarHBondContact CB-O 3.37Å; T70-G73 PolarHBondContact N-O 3.4Å; T70-G73 VanDerWaalsContact N-O 3.09Å; T70-G73 PolarHBondContact O-N 3.11Å; T70-G73 PolarHBondContact OG1-O 3.13Å; T70-K75 HydrophobicContact CG2-CB 3.86Å; T70-K75 HydrophobicContact CG2-CG 3.89Å; T70-F77 HydrophobicContact CG2-CE2 4.2Å; T70-F77 HydrophobicContact CG2-CZ 4.02Å; T70-H148 WeakPolarHBondContact CG2-NE2 3.28Å
71N80.6Confident82.9Confident104 Ų10454.8 Ų54.856%0.55631%0.309SS*.THydrogen-bonded Turntrans-64.7-15.7177.8-58.5-14.9000113.2V150N71-V150 HydrophobicContact CB-CG1 3.65Å; N71-V150 WeakPolarHBondContact ND2-CG1 3.41Å
72V82.4Confident82.9Confident94 Ų9453.5 Ų53.557%0.5730%0.301SS*.THydrogen-bonded Turntrans-108.121.3177.1-61.90000112.2T70T70-V72 PolarHBondContact O-N 3.37Å; T70-V72 VanDerWaalsContact O-N 3.12Å; T70-V72 VanDerWaalsContact OG1-CG2 3.26Å; T70-V72 WeakPolarHBondContact OG1-CG2 3.39Å; T70-V72 PolarHBondContact OG1-N 3.38Å
73G85.8Confident82.7Confident25 Ų2550.8 Ų50.826%0.25829%0.289SS..EExtended strand (participates in β ladder)trans96.6-177.5-178.100000113.8T70 K75T70-G73 WeakPolarHBondContact CB-O 3.37Å; T70-G73 PolarHBondContact N-O 3.4Å; T70-G73 VanDerWaalsContact N-O 3.09Å; T70-G73 PolarHBondContact O-N 3.11Å; T70-G73 PolarHBondContact OG1-O 3.13Å; G73-K75 PolarHBondContact O-N 3.26Å
74P88.2Confident82.5Confident84 Ų8450.3 Ų50.355%0.54528%0.281SS..EExtended strand (participates in β ladder)trans-64.6134.1178.725.8-32.9000110.8T67 L68T67-P74 HydrophobicContact CG2-CB 4.08Å; L68-P74 WeakPolarHBondContact O-CA 3.33Å
75K85.1Confident82.6Confident66 Ų6646.7 Ų46.729%0.28727%0.266SS..EExtended strand (participates in β ladder)trans-127.7139.7175.6-70.4-71-172.8168.10109.6V38 T67 L68 T70 G73 F77V38-K75 HydrophobicContact CG1-CB 4.39Å; V38-K75 PolarHBondContact O-NZ 2.72Å; T67-K75 WeakPolarHBondContact CA-O 3.31Å; T67-K75 WeakPolarHBondContact CG2-O 3.48Å; L68-K75 PolarHBondContact N-O 2.85Å; L68-K75 PolarHBondContact O-N 2.94Å; T70-K75 HydrophobicContact CG2-CB 3.86Å; T70-K75 HydrophobicContact CG2-CG 3.89Å; G73-K75 PolarHBondContact O-N 3.26Å; K75-F77 HydrophobicContact CB-CD2 4.29Å; K75-F77 HydrophobicContact CB-CE2 3.34Å; K75-F77 HydrophobicContact CB-CZ 3.5Å; K75-F77 VanDerWaalsContact CB-CZ 3.5Å; K75-F77 HydrophobicContact CG-CZ 4.42Å; K75-F77 VanDerWaalsContact O-CD2 3.24Å; K75-F77 WeakPolarHBondContact O-CD2 3.18Å; K75-F77 WeakPolarHBondContact O-CE2 3.47Å
76T86.1Confident82.1Confident76 Ų7644.7 Ų44.747%0.46625%0.253SS..EExtended strand (participates in β ladder)trans-96.3127.9174.1-60.90000109.1P65 F66 T67P65-T76 HydrophobicContact CB-CG2 3.92Å; F66-T76 WeakPolarHBondContact O-CA 3.49Å; T67-T76 PolarHBondContact OG1-OG1 2.86Å
77F85.1Confident81.8Confident6 Ų648.1 Ų48.13%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-117152.5-179.1-57.7-100000109.3V38 P65 F66 L68 T70 K75 Q146 H148V38-F77 HydrophobicContact CB-CE1 4.21Å; V38-F77 HydrophobicContact CG1-CD1 3.83Å; V38-F77 HydrophobicContact CG1-CE1 3.67Å; V38-F77 HydrophobicContact CG1-CG 4.4Å; V38-F77 HydrophobicContact CG1-CZ 4.09Å; V38-F77 HydrophobicContact CG2-CD1 4.14Å; V38-F77 HydrophobicContact CG2-CE1 3.86Å; P65-F77 CarbonylContact C-O 3.47Å; P65-F77 WeakPolarHBondContact CA-O 3.49Å; F66-F77 HydrophobicContact CD2-CB 4.21Å; F66-F77 HydrophobicContact CE1-CB 4Å; F66-F77 HydrophobicContact CE2-CB 3.58Å; F66-F77 HydrophobicContact CE2-CD2 4.19Å; F66-F77 HydrophobicContact CE2-CG 4.08Å; F66-F77 HydrophobicContact CZ-CB 3.46Å; F66-F77 VanDerWaalsContact CZ-CB 3.46Å; F66-F77 HydrophobicContact CZ-CG 4.31Å; F66-F77 PolarHBondContact N-O 3.48Å; F66-F77 PolarHBondContact O-N 2.85Å; L68-F77 HydrophobicContact CB-CD2 4.28Å; L68-F77 HydrophobicContact CB-CE2 3.98Å; L68-F77 HydrophobicContact CD1-CD2 4.3Å; L68-F77 HydrophobicContact CD1-CE2 4.41Å; L68-F77 HydrophobicContact CG-CD2 4.38Å; T70-F77 HydrophobicContact CG2-CE2 4.2Å; T70-F77 HydrophobicContact CG2-CZ 4.02Å; K75-F77 HydrophobicContact CB-CD2 4.29Å; K75-F77 HydrophobicContact CB-CE2 3.34Å; K75-F77 HydrophobicContact CB-CZ 3.5Å; K75-F77 VanDerWaalsContact CB-CZ 3.5Å; K75-F77 HydrophobicContact CG-CZ 4.42Å; K75-F77 VanDerWaalsContact O-CD2 3.24Å; K75-F77 WeakPolarHBondContact O-CD2 3.18Å; K75-F77 WeakPolarHBondContact O-CE2 3.47Å; F77-Q146 VanDerWaalsContact CB-OE1 3.25Å; F77-H148 AromaticContact CD1-ND1 3.88Å; F77-H148 AromaticContact CD2-CE1 3.91Å; F77-H148 AromaticContact CE1-CE1 3.44Å; F77-H148 VanDerWaalsContact CE1-CE1 3.44Å; F77-H148 WeakPolarHBondContact CE1-CE1 3.17Å; F77-H148 AromaticContact CE1-ND1 3.37Å; F77-H148 WeakPolarHBondContact CE1-ND1 3.44Å; F77-H148 AromaticContact CE2-CE1 3.16Å; F77-H148 WeakPolarHBondContact CE2-CE1 3.07Å; F77-H148 AromaticContact CE2-ND1 3.84Å; F77-H148 AromaticContact CZ-CE1 2.91Å; F77-H148 WeakPolarHBondContact CZ-CE1 3.23Å; F77-H148 AromaticContact CZ-ND1 3.39Å; F77-H148 WeakPolarHBondContact CZ-ND1 3.38Å; F77-H148 AromaticContact CZ-NE2 3.52Å
78T83.1Confident81.1Confident10 Ų1044.1 Ų44.16%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-139.6111.8174.3-52.20000109.6Q47 A63 Y98 Q146Q47-T78 VanDerWaalsContact NE2-CG2 3.31Å; A63-T78 HydrophobicContact CB-CG2 3.82Å; A63-T78 WeakPolarHBondContact O-CG2 3.44Å; T78-Y98 WeakPolarHBondContact O-CE1 3.29Å; T78-Y98 PolarHBondContact O-OH 2.82Å; T78-Y98 VanDerWaalsContact O-OH 3.07Å; T78-Q146 PolarHBondContact O-NE2 2.97Å
79N83.3Confident80.4Confident24 Ų2446.9 Ų46.913%0.12827%0.272CS..  trans-77.9147.2170.3-65.8-30.2000109.5A63 Q145 Q146A63-N79 WeakPolarHBondContact CA-O 3.44Å; N79-Q145 VanDerWaalsContact OD1-CG 3.28Å; N79-Q145 WeakPolarHBondContact OD1-CG 3.48Å; N79-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N79-Q146 PolarHBondContact OD1-N 3.11Å; N79-Q146 PolarHBondContact OD1-O 3.01Å
80I82.5Confident79.6Confident2 Ų245.8 Ų45.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-114.1109.9178.3-52.1171.3000108.8Q47 L50 V61 Y98 V144Q47-I80 HydrophobicContact CB-CD1 4.32Å; Q47-I80 HydrophobicContact CG-CD1 3.85Å; Q47-I80 HydrophobicContact CG-CG1 4.19Å; L50-I80 HydrophobicContact CB-CD1 3.81Å; L50-I80 HydrophobicContact CD1-CD1 4.05Å; V61-I80 HydrophobicContact CG1-CG2 3.85Å; I80-Y98 HydrophobicContact CD1-CD1 4.46Å; I80-Y98 HydrophobicContact CD1-CE1 4.06Å; I80-Y98 HydrophobicContact CG1-CE1 4.24Å; I80-V144 CarbonylContact C-O 3.5Å; I80-V144 WeakPolarHBondContact CA-O 3.23Å; I80-V144 HydrophobicContact CB-CB 4.36Å; I80-V144 PolarHBondContact N-O 3.39Å; I80-V144 CarbonylContact O-C 3.6Å; I80-V144 PolarHBondContact O-N 3.38Å
81I83Confident79.1Confident9 Ų945.4 Ų45.45%0.04626%0.259CS..EExtended strand (participates in β ladder)trans-109.7110.5179.6-55170.9000108.3V61 E62 I184V61-I81 CarbonylContact C-O 3.56Å; V61-I81 WeakPolarHBondContact CA-O 3.4Å; E62-I81 HydrophobicContact CB-CB 4.45Å; E62-I81 PolarHBondContact N-O 2.85Å; E62-I81 PolarHBondContact O-N 3.27Å; I81-I184 HydrophobicContact CD1-CD1 4.1Å; I81-I184 HydrophobicContact CD1-CG1 3.53Å
82A82.5Confident79.1Confident1 Ų140.5 Ų40.51%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-106.5119.2177.500000110.8M54 Y59 K60 V61 L142M54-A82 HydrophobicContact CB-CB 3.79Å; M54-A82 HydrophobicContact CE-CB 3.44Å; M54-A82 VanDerWaalsContact CE-CB 3.44Å; M54-A82 HydrophobicContact CG-CB 3.74Å; M54-A82 HydrophobicContact SD-CB 4.37Å; Y59-A82 HydrophobicContact CD1-CB 4.22Å; Y59-A82 HydrophobicContact CG-CB 4.45Å; K60-A82 CarbonylContact O-C 3.59Å; K60-A82 WeakPolarHBondContact O-CA 3.4Å; V61-A82 HydrophobicContact CG2-CB 4.09Å; A82-L142 CarbonylContact C-O 3.48Å; A82-L142 WeakPolarHBondContact CA-O 3.44Å; A82-L142 HydrophobicContact CB-CB 4.49Å; A82-L142 WeakPolarHBondContact CB-O 3.39Å; A82-L142 PolarHBondContact N-O 3.29Å; A82-L142 PolarHBondContact O-N 3.27Å
83T78.5Confident79.3Confident3 Ų336.8 Ų36.82%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-122.6120.5-177.1-52.40000110.9K60 P86 C141K60-T83 PolarHBondContact N-O 3.18Å; K60-T83 PolarHBondContact O-N 2.95Å; T83-P86 HydrophobicContact CG2-CG 4.39Å; T83-C141 PolarHBondContact OG1-SG 2.83Å; T83-C141 VanDerWaalsContact OG1-SG 3.33Å
84L77.3Confident79.4Confident28 Ų2835.6 Ų35.615%0.14720%0.198CC..SBendtrans-67.2-41179.5-17361000112.2Y59 A133 V140Y59-L84 HydrophobicContact CD1-CB 3.81Å; Y59-L84 HydrophobicContact CD2-CD1 4.04Å; Y59-L84 HydrophobicContact CE1-CB 3.56Å; Y59-L84 HydrophobicContact CE1-CD1 4.39Å; Y59-L84 HydrophobicContact CE1-CG 4.44Å; Y59-L84 HydrophobicContact CE2-CD1 3.91Å; Y59-L84 HydrophobicContact CG-CB 4.4Å; Y59-L84 HydrophobicContact CG-CD1 4.32Å; L84-A133 HydrophobicContact CD2-CB 3.5Å; L84-A133 VanDerWaalsContact CD2-CB 3.5Å; L84-V140 PolarHBondContact N-O 2.95Å
85N76Confident79.5Confident52 Ų5231.8 Ų31.828%0.27817%0.173SC..  trans-134.393.2-179.2-177-35.7000110.2T87 A88 K139N85-T87 PolarHBondContact O-N 3.22Å; N85-T87 PolarHBondContact OD1-N 3.44Å; N85-T87 PolarHBondContact OD1-OG1 3.22Å; N85-A88 WeakPolarHBondContact O-CB 3.46Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 VanDerWaalsContact O-N 3.12Å; N85-A88 PolarHBondContact OD1-N 2.84Å; N85-K139 HydrophobicContact CB-CD 3.87Å; N85-K139 HydrophobicContact CB-CG 4.19Å; N85-K139 VanDerWaalsContact ND2-CE 3.33Å; N85-K139 WeakPolarHBondContact ND2-CE 3.29Å; N85-K139 PolarHBondContact ND2-NZ 2.71Å; N85-K139 PolarHBondContact OD1-NZ 2.99Å
86P74.2Confident79.7Confident47 Ų4728.7 Ų28.731%0.30516%0.16SC..THydrogen-bonded Turntrans-61.6-26.4-176.5-26.335.4000114.5K60 T83 A88 R91K60-P86 HydrophobicContact CB-CG 3.78Å; K60-P86 HydrophobicContact CD-CB 4.25Å; K60-P86 HydrophobicContact CD-CG 3.55Å; K60-P86 HydrophobicContact CG-CG 4.29Å; T83-P86 HydrophobicContact CG2-CG 4.39Å; P86-A88 PolarHBondContact O-N 3.07Å; P86-R91 PolarHBondContact O-NH2 2.72Å
87T74.4Confident79.9Confident115 Ų11525.1 Ų25.171%0.70614%0.138SC*.THydrogen-bonded Turntrans-82.1-2.9-179.8640000113N85N85-T87 PolarHBondContact O-N 3.22Å; N85-T87 PolarHBondContact OD1-N 3.44Å; N85-T87 PolarHBondContact OD1-OG1 3.22Å
88A68.9Low80.2Confident0 Ų024.9 Ų24.90%014%0.137CC..  trans-47.2128.8171.800000114.1N85 P86 R91 K139N85-A88 WeakPolarHBondContact O-CB 3.46Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 VanDerWaalsContact O-N 3.12Å; N85-A88 PolarHBondContact OD1-N 2.84Å; P86-A88 PolarHBondContact O-N 3.07Å; A88-R91 HydrophobicContact CB-CG 3.98Å; A88-K139 HydrophobicContact CB-CB 4.15Å; A88-K139 HydrophobicContact CB-CD 3.17Å; A88-K139 HydrophobicContact CB-CG 4.23Å
89P66.2Low80.6Confident85 Ų8524.6 Ų24.655%0.55214%0.135SC*.SBendtrans-79-20.5170.431.8-34.5000112.9R191P89-R191 WeakPolarHBondContact O-CA 3.05Å; P89-R191 VanDerWaalsContact O-CB 3.28Å; P89-R191 WeakPolarHBondContact O-CB 3.29Å; P89-R191 WeakPolarHBondContact O-CG 3.38Å
90R66.8Low81.1Confident108 Ų10823.6 Ų23.641%0.40813%0.13SC..SBendtrans-138.6144.7179.1-65.617572.6-176.86110.4R191 D193R90-R191 CarbonylContact C-O 3.33Å; R90-R191 WeakPolarHBondContact CA-O 3.43Å; R90-D193 IonicContact CZ-OD1 3.42Å; R90-D193 IonicContact CZ-OD2 2.96Å; R90-D193 VanDerWaalsContact NE-CG 3.26Å; R90-D193 IonicContact NE-OD1 2.92Å; R90-D193 PolarHBondContact NE-OD1 2.92Å; R90-D193 IonicContact NE-OD2 2.79Å; R90-D193 PolarHBondContact NE-OD2 2.85Å; R90-D193 VanDerWaalsContact NE-OD2 3.08Å; R90-D193 IonicContact NH2-OD1 3.9Å; R90-D193 PolarHBondContact NH2-OD1 2.98Å; R90-D193 IonicContact NH2-OD2 3.41Å; R90-D193 PolarHBondContact NH2-OD2 3.31Å
91R72.2Confident81.6Confident15 Ų1524.6 Ų24.66%0.05713%0.134CC..EExtended strand (participates in β ladder)trans-143.1132.7-175.8-56.9178.9-169.5175.52.3111.5P86 A88 C141 L187 R191 D193P86-R91 PolarHBondContact O-NH2 2.72Å; A88-R91 HydrophobicContact CB-CG 3.98Å; R91-C141 HydrophobicContact CB-CB 4.07Å; R91-C141 HydrophobicContact CG-CB 4.48Å; R91-L187 VanDerWaalsContact NH1-CD1 3.26Å; R91-R191 PolarHBondContact N-O 2.84Å; R91-R191 VanDerWaalsContact N-O 3.16Å; R91-D193 WeakPolarHBondContact O-CB 3.34Å; R91-D193 PolarHBondContact O-N 2.94Å
92L80.5Confident82Confident1 Ų126.6 Ų26.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-77.9127.4156.1178.465000107.4L94 C141 A194 V196 F304 T305 Y308 L309L92-L94 HydrophobicContact CD2-CD2 4.28Å; L92-L94 HydrophobicContact CG-CD2 4.32Å; L92-C141 PolarHBondContact O-N 2.98Å; L92-C141 VanDerWaalsContact O-O 3.13Å; L92-A194 HydrophobicContact CD1-CB 4.4Å; L92-V196 HydrophobicContact CD1-CG2 3.84Å; L92-F304 HydrophobicContact CD2-CE1 3.98Å; L92-T305 HydrophobicContact CD2-CG2 4.32Å; L92-Y308 HydrophobicContact CB-CD1 3.75Å; L92-Y308 HydrophobicContact CB-CE1 3.86Å; L92-Y308 HydrophobicContact CD1-CD1 4.14Å; L92-Y308 HydrophobicContact CD1-CD2 4.4Å; L92-Y308 HydrophobicContact CD1-CE1 4.15Å; L92-Y308 HydrophobicContact CD1-CE2 4.41Å; L92-Y308 HydrophobicContact CD1-CG 4.27Å; L92-Y308 HydrophobicContact CD2-CD1 3.9Å; L92-Y308 HydrophobicContact CD2-CG 3.91Å; L92-Y308 HydrophobicContact CG-CD1 4.15Å; L92-Y308 HydrophobicContact CG-CE1 4.45Å; L92-Y308 HydrophobicContact CG-CG 4.48Å; L92-L309 HydrophobicContact CB-CD2 4.23Å
93T85.7Confident82.5Confident15 Ų1528.3 Ų28.39%0.09215%0.152CC..EExtended strand (participates in β ladder)trans-109.5114.6176.9-51.50000108.8C141 C143 A194 L195 V196T93-C141 WeakPolarHBondContact CA-O 2.91Å; T93-C143 HydrophobicContact CG2-CB 3.59Å; T93-A194 PolarHBondContact N-O 3Å; T93-L195 HydrophobicContact CG2-CD1 3.81Å; T93-L195 CarbonylContact O-C 3.54Å; T93-L195 WeakPolarHBondContact O-CA 3.47Å; T93-V196 PolarHBondContact O-N 3.24Å
94L88.6Confident83Confident1 Ų134.4 Ų34.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-90.8137.3164.3-54.7-175.1000108.1L92 M122 V125 C141 L142 C143 V196 F304L92-L94 HydrophobicContact CD2-CD2 4.28Å; L92-L94 HydrophobicContact CG-CD2 4.32Å; L94-M122 HydrophobicContact CB-CE 4.42Å; L94-M122 HydrophobicContact CB-CG 4.24Å; L94-M122 HydrophobicContact CB-SD 4.41Å; L94-M122 VanDerWaalsContact O-CE 3.29Å; L94-M122 WeakPolarHBondContact O-CE 3.3Å; L94-V125 HydrophobicContact CD1-CG1 4.22Å; L94-C141 PolarHBondContact N-O 3.35Å; L94-C141 VanDerWaalsContact N-O 3.11Å; L94-L142 HydrophobicContact CB-CD2 4.04Å; L94-L142 HydrophobicContact CD1-CD2 4.08Å; L94-L142 HydrophobicContact CG-CD2 4.48Å; L94-C143 PolarHBondContact O-N 2.91Å; L94-V196 CarbonylContact C-O 3.6Å; L94-V196 WeakPolarHBondContact CA-O 3.5Å; L94-V196 HydrophobicContact CD2-CB 3.78Å; L94-V196 HydrophobicContact CD2-CG1 4.23Å; L94-V196 HydrophobicContact CD2-CG2 4.18Å; L94-F304 HydrophobicContact CD2-CE1 4.24Å
95A89.1Confident83.8Confident4 Ų439 Ų393%0.03321%0.207CC..EExtended strand (participates in β ladder)trans-142.1155.5-179.600000113.6M122 C143 L195 V196 L197 L198A95-M122 VanDerWaalsContact C-SD 3.56Å; A95-C143 WeakPolarHBondContact CA-O 3.4Å; A95-C143 HydrophobicContact CB-CB 4.43Å; A95-C143 WeakPolarHBondContact CB-O 3.28Å; A95-L195 HydrophobicContact CB-CD1 3.65Å; A95-V196 PolarHBondContact N-O 2.87Å; A95-L197 HydrophobicContact CB-CD1 4.15Å; A95-L197 CarbonylContact O-C 3.55Å; A95-L197 WeakPolarHBondContact O-CA 3.48Å; A95-L198 PolarHBondContact O-N 3.45Å
96C90Very high84.6Confident0 Ų043.2 Ų43.20%022%0.224CC..EExtended strand (participates in β ladder)trans-156.6171.5167.967.50000108.2P118 C119 M122 Q145 L198C96-P118 HydrophobicContact CB-CB 3.53Å; C96-C119 PolarHBondContact SG-SG 3.34Å; C96-M122 HydrophobicContact CB-SD 4.01Å; C96-Q145 PolarHBondContact O-N 3.45Å; C96-L198 VanDerWaalsContact CB-O 3.28Å; C96-L198 WeakPolarHBondContact CB-O 3.38Å
97H90.3Very high85.6Confident2 Ų243.7 Ų43.71%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-91.7153.1167.475.8101.1000111.8D99 D114 S115 C119 Q145 C147 D199H97-D99 IonicContact CG-OD1 3.58Å; H97-D99 PolarHBondContact ND1-O 2.86Å; H97-D99 IonicContact ND1-OD1 3.57Å; H97-D99 PolarHBondContact ND1-OD1 2.84Å; H97-D114 IonicContact CE1-OD1 3.4Å; H97-D114 PolarHBondContact CE1-OD1 3.33Å; H97-D114 IonicContact NE2-OD1 2.95Å; H97-D114 PolarHBondContact NE2-OD1 3.38Å; H97-S115 VanDerWaalsContact CD2-CB 3.45Å; H97-S115 WeakPolarHBondContact CD2-CB 3.49Å; H97-S115 PolarHBondContact CD2-OG 3.49Å; H97-S115 PolarHBondContact CE1-N 2.84Å; H97-S115 WeakPolarHBondContact NE2-CB 3.16Å; H97-S115 PolarHBondContact NE2-OG 2.95Å; H97-S115 VanDerWaalsContact O-CB 3.27Å; H97-S115 WeakPolarHBondContact O-CB 3.38Å; H97-C119 PolarHBondContact O-SG 3.05Å; H97-C119 VanDerWaalsContact O-SG 3.4Å; H97-Q145 VanDerWaalsContact CA-O 3.23Å; H97-Q145 WeakPolarHBondContact CA-O 3.5Å; H97-C147 HydrophobicContact CB-CB 3.44Å; H97-C147 VanDerWaalsContact CB-CB 3.44Å; H97-C147 WeakPolarHBondContact CB-SG 3.24Å; H97-D199 IonicContact CD2-OD1 3.91Å; H97-D199 IonicContact NE2-OD1 3.75Å; H97-D199 PolarHBondContact NE2-OD1 2.83Å
98Y92.1Very high86.6Confident0 Ų042.7 Ų42.70%021%0.212CC..  trans-119.5-9.617880.8-91.2000115R36 H43 V46 Q47 L50 T78 I80 V144 Q145 Q146R36-Y98 WeakPolarHBondContact CD-O 3.18Å; R36-Y98 WeakPolarHBondContact CG-O 3.41Å; R36-Y98 PolarHBondContact NE-O 3.28Å; H43-Y98 AromaticContact CE1-CE2 3.34Å; H43-Y98 WeakPolarHBondContact CE1-CE2 3.42Å; H43-Y98 AromaticContact CE1-CZ 3.7Å; H43-Y98 AromaticContact ND1-CE2 3.81Å; H43-Y98 AromaticContact NE2-CE2 3.59Å; H43-Y98 AromaticContact NE2-CZ 3.68Å; H43-Y98 PolarHBondContact NE2-OH 3.47Å; V46-Y98 HydrophobicContact CG1-CD2 4.02Å; Q47-Y98 HydrophobicContact CB-CE2 3.96Å; Q47-Y98 WeakPolarHBondContact CB-OH 3.29Å; Q47-Y98 VanDerWaalsContact CG-OH 3.32Å; Q47-Y98 WeakPolarHBondContact CG-OH 3.37Å; Q47-Y98 PolarHBondContact OE1-OH 3.47Å; Q47-Y98 VanDerWaalsContact OE1-OH 3.07Å; L50-Y98 HydrophobicContact CD1-CD2 4.27Å; L50-Y98 HydrophobicContact CD1-CG 3.97Å; T78-Y98 WeakPolarHBondContact O-CE1 3.29Å; T78-Y98 PolarHBondContact O-OH 2.82Å; T78-Y98 VanDerWaalsContact O-OH 3.07Å; I80-Y98 HydrophobicContact CD1-CD1 4.46Å; I80-Y98 HydrophobicContact CD1-CE1 4.06Å; I80-Y98 HydrophobicContact CG1-CE1 4.24Å; Y98-V144 HydrophobicContact CD1-CG1 3.78Å; Y98-V144 HydrophobicContact CG-CG1 4.12Å; Y98-Q145 WeakPolarHBondContact CD1-O 3.21Å; Y98-Q145 PolarHBondContact N-O 3.31Å; Y98-Q146 HydrophobicContact CD1-CB 4.28Å; Y98-Q146 HydrophobicContact CD1-CG 4.1Å; Y98-Q146 HydrophobicContact CE1-CB 3.69Å; Y98-Q146 HydrophobicContact CE1-CG 3.48Å; Y98-Q146 VanDerWaalsContact CE1-CG 3.48Å; Y98-Q146 HydrophobicContact CE2-CG 4.45Å; Y98-Q146 VanDerWaalsContact CZ-NE2 3.26Å; Y98-Q146 PolarHBondContact OH-NE2 2.93Å
99D91.2Very high87.9Confident5 Ų542.8 Ų42.83%0.02721%0.212CC..  trans-66.7164.8168.760.2-65.5000110.8V38 H97 Q146 C147V38-D99 HydrophobicContact CG2-CB 3.92Å; H97-D99 IonicContact CG-OD1 3.58Å; H97-D99 PolarHBondContact ND1-O 2.86Å; H97-D99 IonicContact ND1-OD1 3.57Å; H97-D99 PolarHBondContact ND1-OD1 2.84Å; D99-Q146 HydrophobicContact CB-CG 4.48Å; D99-C147 PolarHBondContact OD1-N 3.36Å
100S93.7Very high89.5Confident2 Ų240.3 Ų40.31%0.01419%0.194CC..  trans-120.1147.2163.773.20000109R36 P37 F109R36-S100 PolarHBondContact N-OG 3.08Å; R36-S100 PolarHBondContact O-N 3.36Å; P37-S100 WeakPolarHBondContact CA-O 3.44Å; S100-F109 PolarHBondContact OG-O 3.35Å; S100-F109 VanDerWaalsContact OG-O 3.09Å
101K91.9Very high90.9Very high23 Ų2335.2 Ų35.210%0.118%0.175CC..  trans-63.1135.7-178.8-171.4168.1-176.875.70111.3F103 F109 H280K101-F103 HydrophobicContact CB-CD2 4.1Å; K101-F103 HydrophobicContact CB-CE2 3.75Å; K101-F103 HydrophobicContact CD-CD2 4.37Å; K101-F103 HydrophobicContact CD-CE1 4.29Å; K101-F103 HydrophobicContact CD-CE2 3.54Å; K101-F103 HydrophobicContact CD-CZ 3.48Å; K101-F103 VanDerWaalsContact CD-CZ 3.48Å; K101-F103 HydrophobicContact CG-CD2 4.04Å; K101-F103 HydrophobicContact CG-CE2 3.66Å; K101-F103 HydrophobicContact CG-CZ 4.05Å; K101-F103 PolarHBondContact O-N 2.88Å; K101-F109 HydrophobicContact CB-CD1 3.94Å; K101-F109 HydrophobicContact CB-CE1 3.98Å; K101-F109 WeakPolarHBondContact O-CD1 3.43Å; K101-H280 WeakPolarHBondContact CD-NE2 3.43Å
102D91.9Very high92.2Very high51 Ų5134.5 Ų34.527%0.27317%0.172SC..  trans-83.6103.6177.7-157.7-13.5000111P37 R104P37-D102 HydrophobicContact CB-CB 4Å; P37-D102 HydrophobicContact CG-CB 4.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.41Å; D102-R104 WeakPolarHBondContact OD1-CG 3.37Å; D102-R104 IonicContact OD1-CZ 3.54Å; D102-R104 PolarHBondContact OD1-N 2.93Å; D102-R104 VanDerWaalsContact OD1-N 3.12Å; D102-R104 IonicContact OD1-NE 3.54Å; D102-R104 PolarHBondContact OD1-NE 2.63Å; D102-R104 IonicContact OD1-NH2 2.96Å; D102-R104 PolarHBondContact OD1-NH2 3.25Å; D102-R104 IonicContact OD2-CZ 3.45Å; D102-R104 IonicContact OD2-NE 3.78Å; D102-R104 IonicContact OD2-NH2 2.83Å; D102-R104 PolarHBondContact OD2-NH2 3.14Å
103F92.6Very high93Very high38 Ų3834.4 Ų34.417%0.16717%0.172CC..  trans-10319.6173.5-73.4-80.9000112.5K101 Q106 F107 F109 H280K101-F103 HydrophobicContact CB-CD2 4.1Å; K101-F103 HydrophobicContact CB-CE2 3.75Å; K101-F103 HydrophobicContact CD-CD2 4.37Å; K101-F103 HydrophobicContact CD-CE1 4.29Å; K101-F103 HydrophobicContact CD-CE2 3.54Å; K101-F103 HydrophobicContact CD-CZ 3.48Å; K101-F103 VanDerWaalsContact CD-CZ 3.48Å; K101-F103 HydrophobicContact CG-CD2 4.04Å; K101-F103 HydrophobicContact CG-CE2 3.66Å; K101-F103 HydrophobicContact CG-CZ 4.05Å; K101-F103 PolarHBondContact O-N 2.88Å; F103-Q106 WeakPolarHBondContact O-CA 3.09Å; F103-Q106 VanDerWaalsContact O-CB 3.32Å; F103-Q106 WeakPolarHBondContact O-CB 3.43Å; F103-Q106 PolarHBondContact O-N 3.21Å; F103-Q106 PolarHBondContact O-OE1 3.4Å; F103-F107 CarbonylContact C-O 3.45Å; F103-F107 HydrophobicContact CB-CD1 4.44Å; F103-F107 HydrophobicContact CB-CD2 4Å; F103-F107 HydrophobicContact CB-CE1 4.13Å; F103-F107 HydrophobicContact CB-CE2 3.67Å; F103-F107 HydrophobicContact CB-CG 4.37Å; F103-F107 HydrophobicContact CB-CZ 3.74Å; F103-F107 HydrophobicContact CD1-CE1 4.19Å; F103-F107 HydrophobicContact CD1-CE2 4.33Å; F103-F107 AromaticContact CD1-CZ 3.7Å; F103-F107 HydrophobicContact CD1-CZ 3.7Å; F103-F107 AromaticContact CD2-CE2 3.74Å; F103-F107 HydrophobicContact CD2-CE2 3.74Å; F103-F107 AromaticContact CD2-CZ 3.89Å; F103-F107 HydrophobicContact CD2-CZ 3.89Å; F103-F107 HydrophobicContact CE1-CZ 4.19Å; F103-F107 HydrophobicContact CE2-CE2 4.38Å; F103-F107 HydrophobicContact CE2-CZ 4.33Å; F103-F107 HydrophobicContact CG-CD2 4.5Å; F103-F107 HydrophobicContact CG-CE1 4.23Å; F103-F107 AromaticContact CG-CE2 3.68Å; F103-F107 HydrophobicContact CG-CE2 3.68Å; F103-F107 AromaticContact CG-CZ 3.52Å; F103-F107 HydrophobicContact CG-CZ 3.52Å; F103-F107 HydrophobicContact CZ-CZ 4.46Å; F103-F107 PolarHBondContact O-N 2.79Å; F103-F107 VanDerWaalsContact O-N 3.1Å; F103-F109 HydrophobicContact CB-CB 4.41Å; F103-F109 HydrophobicContact CD2-CB 3.58Å; F103-F109 AromaticContact CD2-CD1 3.95Å; F103-F109 HydrophobicContact CD2-CD1 3.95Å; F103-F109 HydrophobicContact CD2-CD2 4.02Å; F103-F109 AromaticContact CD2-CG 3.58Å; F103-F109 HydrophobicContact CD2-CG 3.58Å; F103-F109 HydrophobicContact CE2-CB 4.34Å; F103-F109 AromaticContact CE2-CD1 3.97Å; F103-F109 HydrophobicContact CE2-CD1 3.97Å; F103-F109 AromaticContact CE2-CD2 3.98Å; F103-F109 HydrophobicContact CE2-CD2 3.98Å; F103-F109 HydrophobicContact CE2-CE1 4.24Å; F103-F109 HydrophobicContact CE2-CE2 4.22Å; F103-F109 AromaticContact CE2-CG 3.83Å; F103-F109 HydrophobicContact CE2-CG 3.83Å; F103-F109 HydrophobicContact CE2-CZ 4.35Å; F103-F109 HydrophobicContact CG-CB 4.46Å; F103-H280 HydrophobicContact CE2-CB 4.38Å; F103-H280 HydrophobicContact CZ-CB 3.7Å; F103-H280 AromaticContact CZ-CG 3.82Å
104R90.2Very high93.6Very high130 Ų13033.9 Ų33.949%0.49117%0.169SC..THydrogen-bonded Turntrans-77.5142.2175.8-66.4171.7-63.7176.43110.1D102 Q106D102-R104 WeakPolarHBondContact OD1-CB 3.41Å; D102-R104 WeakPolarHBondContact OD1-CG 3.37Å; D102-R104 IonicContact OD1-CZ 3.54Å; D102-R104 PolarHBondContact OD1-N 2.93Å; D102-R104 VanDerWaalsContact OD1-N 3.12Å; D102-R104 IonicContact OD1-NE 3.54Å; D102-R104 PolarHBondContact OD1-NE 2.63Å; D102-R104 IonicContact OD1-NH2 2.96Å; D102-R104 PolarHBondContact OD1-NH2 3.25Å; D102-R104 IonicContact OD2-CZ 3.45Å; D102-R104 IonicContact OD2-NE 3.78Å; D102-R104 IonicContact OD2-NH2 2.83Å; D102-R104 PolarHBondContact OD2-NH2 3.14Å; R104-Q106 VanDerWaalsContact C-OE1 3.26Å; R104-Q106 PolarHBondContact O-OE1 3.17Å
105P93.3Very high93.9Very high126 Ų12633.9 Ų33.982%0.81817%0.168SC*.THydrogen-bonded Turncis-89.55.27.536.1-36.6000115.2
106Q93.8Very high94.3Very high139 Ų13933.7 Ų33.765%0.6517%0.167SC*.THydrogen-bonded Turntrans-64.3-46.8-172.4-62.683.2-7.300113.1F103 R104F103-Q106 WeakPolarHBondContact O-CA 3.09Å; F103-Q106 VanDerWaalsContact O-CB 3.32Å; F103-Q106 WeakPolarHBondContact O-CB 3.43Å; F103-Q106 PolarHBondContact O-N 3.21Å; F103-Q106 PolarHBondContact O-OE1 3.4Å; R104-Q106 VanDerWaalsContact C-OE1 3.26Å; R104-Q106 PolarHBondContact O-OE1 3.17Å
107F95.3Very high94.7Very high57 Ų5733.7 Ų33.725%0.2517%0.167CC..  trans-163.7163.3173.953.2-92.2000111.3F103 F109 K282F103-F107 CarbonylContact C-O 3.45Å; F103-F107 HydrophobicContact CB-CD1 4.44Å; F103-F107 HydrophobicContact CB-CD2 4Å; F103-F107 HydrophobicContact CB-CE1 4.13Å; F103-F107 HydrophobicContact CB-CE2 3.67Å; F103-F107 HydrophobicContact CB-CG 4.37Å; F103-F107 HydrophobicContact CB-CZ 3.74Å; F103-F107 HydrophobicContact CD1-CE1 4.19Å; F103-F107 HydrophobicContact CD1-CE2 4.33Å; F103-F107 AromaticContact CD1-CZ 3.7Å; F103-F107 HydrophobicContact CD1-CZ 3.7Å; F103-F107 AromaticContact CD2-CE2 3.74Å; F103-F107 HydrophobicContact CD2-CE2 3.74Å; F103-F107 AromaticContact CD2-CZ 3.89Å; F103-F107 HydrophobicContact CD2-CZ 3.89Å; F103-F107 HydrophobicContact CE1-CZ 4.19Å; F103-F107 HydrophobicContact CE2-CE2 4.38Å; F103-F107 HydrophobicContact CE2-CZ 4.33Å; F103-F107 HydrophobicContact CG-CD2 4.5Å; F103-F107 HydrophobicContact CG-CE1 4.23Å; F103-F107 AromaticContact CG-CE2 3.68Å; F103-F107 HydrophobicContact CG-CE2 3.68Å; F103-F107 AromaticContact CG-CZ 3.52Å; F103-F107 HydrophobicContact CG-CZ 3.52Å; F103-F107 HydrophobicContact CZ-CZ 4.46Å; F103-F107 PolarHBondContact O-N 2.79Å; F103-F107 VanDerWaalsContact O-N 3.1Å; F107-F109 HydrophobicContact CD2-CB 4.12Å; F107-F109 HydrophobicContact CE2-CB 3.89Å; F107-F109 AromaticContact CE2-CD2 3.9Å; F107-F109 HydrophobicContact CE2-CD2 3.9Å; F107-F109 HydrophobicContact CE2-CG 4.29Å; F107-K282 HydrophobicContact CB-CB 4.21Å; F107-K282 HydrophobicContact CD1-CB 4.45Å; F107-K282 HydrophobicContact CD2-CB 3.67Å; F107-K282 HydrophobicContact CE2-CB 4.1Å; F107-K282 HydrophobicContact CG-CB 3.86Å
108D94.4Very high95.1Very high94 Ų9433.6 Ų33.650%0.50317%0.167SC..  trans-82.4124.9169.7-161.637.4000109.9S35S35-D108 WeakPolarHBondContact CB-OD1 3.44Å; S35-D108 WeakPolarHBondContact CB-OD2 3.31Å; S35-D108 PolarHBondContact OG-OD1 3.33Å
109F97.3Very high95.2Very high2 Ų233.6 Ų33.61%0.00917%0.167CC..  trans-112113.4-173.8179.5-107.9000110.8S100 K101 F103 F107 G111 D114 T281 D284S100-F109 PolarHBondContact OG-O 3.35Å; S100-F109 VanDerWaalsContact OG-O 3.09Å; K101-F109 HydrophobicContact CB-CD1 3.94Å; K101-F109 HydrophobicContact CB-CE1 3.98Å; K101-F109 WeakPolarHBondContact O-CD1 3.43Å; F103-F109 HydrophobicContact CB-CB 4.41Å; F103-F109 HydrophobicContact CD2-CB 3.58Å; F103-F109 AromaticContact CD2-CD1 3.95Å; F103-F109 HydrophobicContact CD2-CD1 3.95Å; F103-F109 HydrophobicContact CD2-CD2 4.02Å; F103-F109 AromaticContact CD2-CG 3.58Å; F103-F109 HydrophobicContact CD2-CG 3.58Å; F103-F109 HydrophobicContact CE2-CB 4.34Å; F103-F109 AromaticContact CE2-CD1 3.97Å; F103-F109 HydrophobicContact CE2-CD1 3.97Å; F103-F109 AromaticContact CE2-CD2 3.98Å; F103-F109 HydrophobicContact CE2-CD2 3.98Å; F103-F109 HydrophobicContact CE2-CE1 4.24Å; F103-F109 HydrophobicContact CE2-CE2 4.22Å; F103-F109 AromaticContact CE2-CG 3.83Å; F103-F109 HydrophobicContact CE2-CG 3.83Å; F103-F109 HydrophobicContact CE2-CZ 4.35Å; F103-F109 HydrophobicContact CG-CB 4.46Å; F107-F109 HydrophobicContact CD2-CB 4.12Å; F107-F109 HydrophobicContact CE2-CB 3.89Å; F107-F109 AromaticContact CE2-CD2 3.9Å; F107-F109 HydrophobicContact CE2-CD2 3.9Å; F107-F109 HydrophobicContact CE2-CG 4.29Å; F109-G111 VanDerWaalsContact CE1-CA 3.48Å; F109-D114 HydrophobicContact CZ-CB 4.35Å; F109-T281 WeakPolarHBondContact CD2-O 3.32Å; F109-T281 VanDerWaalsContact CE2-O 3.28Å; F109-T281 WeakPolarHBondContact CE2-O 3.17Å; F109-D284 HydrophobicContact CE2-CB 3.72Å; F109-D284 HydrophobicContact CZ-CB 4.22Å
110I97.9Very high95.5Very high34 Ų3433.4 Ų33.417%0.17417%0.166CC..  trans-73.1-44.6178.1-55.5-57.4000110.5L33 R36 A112 D285L33-I110 HydrophobicContact CB-CG2 4.39Å; L33-I110 HydrophobicContact CD2-CG2 4.15Å; R36-I110 PolarHBondContact NH1-O 3.2Å; I110-A112 HydrophobicContact CG2-CB 4.44Å; I110-D285 HydrophobicContact CG1-CB 4.27Å
111G97.2Very high95.7Very high0 Ų033.4 Ų33.40%017%0.165CC..  trans62.759.4-171.900000110.4R36 F109 D114 A116 D284R36-G111 PolarHBondContact NH2-O 3.05Å; F109-G111 VanDerWaalsContact CE1-CA 3.48Å; G111-D114 CarbonylContact C-O 3.54Å; G111-D114 WeakPolarHBondContact CA-O 3.48Å; G111-D114 CarbonylContact O-C 3.49Å; G111-D114 VanDerWaalsContact O-C 3.27Å; G111-D114 PolarHBondContact O-N 3Å; G111-D114 VanDerWaalsContact O-O 3.1Å; G111-A116 PolarHBondContact O-N 3.33Å; G111-D284 PolarHBondContact N-O 3.07Å; G111-D284 VanDerWaalsContact N-O 3.13Å
112A98.6Very high95.8Very high0 Ų032.4 Ų32.40%016%0.161CC..Iπ-helixtrans-67.7-46.2-178.400000111.1L33 I110 D114 A116 V117 D284 D285 L289L33-A112 HydrophobicContact CD2-CB 3.66Å; I110-A112 HydrophobicContact CG2-CB 4.44Å; A112-D114 VanDerWaalsContact C-N 3.34Å; A112-A116 WeakPolarHBondContact O-CB 3.23Å; A112-A116 PolarHBondContact O-N 3.17Å; A112-V117 WeakPolarHBondContact O-CG2 3.41Å; A112-V117 PolarHBondContact O-N 3.44Å; A112-D284 PolarHBondContact N-O 3.31Å; A112-D284 PolarHBondContact N-OD1 3.43Å; A112-D285 VanDerWaalsContact CB-C 3.45Å; A112-D285 VanDerWaalsContact CB-O 3.26Å; A112-D285 WeakPolarHBondContact CB-O 3.21Å; A112-L289 HydrophobicContact CB-CD1 4.39Å; A112-L289 HydrophobicContact CB-CD2 3.85Å; A112-L289 HydrophobicContact CB-CG 4.19Å
113T98.5Very high96Very high0 Ų030.1 Ų30.10%015%0.149CC..Iπ-helixtrans-78.9-21.4170.767.60000113.2L200 M201 A203 D284 L289T113-L200 CarbonylContact O-C 3.58Å; T113-L200 WeakPolarHBondContact O-CA 3.41Å; T113-L200 PolarHBondContact O-N 3.39Å; T113-M201 WeakPolarHBondContact CA-O 3.14Å; T113-M201 WeakPolarHBondContact CB-O 3.48Å; T113-M201 PolarHBondContact O-N 2.89Å; T113-M201 VanDerWaalsContact O-N 3.13Å; T113-A203 HydrophobicContact CG2-CB 4.49Å; T113-D284 WeakPolarHBondContact CG2-OD1 3.49Å; T113-D284 PolarHBondContact N-OD1 2.84Å; T113-D284 PolarHBondContact N-OD2 3.31Å; T113-D284 VanDerWaalsContact OG1-CG 3.29Å; T113-D284 PolarHBondContact OG1-OD1 3.13Å; T113-D284 VanDerWaalsContact OG1-OD1 3.05Å; T113-D284 PolarHBondContact OG1-OD2 3.39Å; T113-L289 HydrophobicContact CG2-CD2 4.02Å
114D97.1Very high96.1Very high4 Ų428.4 Ų28.42%0.02114%0.141CC..Iπ-helixtrans-122.675.6-166.3-176.60.5000112R36 H97 F109 G111 A112 L200 H280 D284R36-D114 PolarHBondContact NH2-O 3.22Å; H97-D114 IonicContact CE1-OD1 3.4Å; H97-D114 PolarHBondContact CE1-OD1 3.33Å; H97-D114 IonicContact NE2-OD1 2.95Å; H97-D114 PolarHBondContact NE2-OD1 3.38Å; F109-D114 HydrophobicContact CZ-CB 4.35Å; G111-D114 CarbonylContact C-O 3.54Å; G111-D114 WeakPolarHBondContact CA-O 3.48Å; G111-D114 CarbonylContact O-C 3.49Å; G111-D114 VanDerWaalsContact O-C 3.27Å; G111-D114 PolarHBondContact O-N 3Å; G111-D114 VanDerWaalsContact O-O 3.1Å; A112-D114 VanDerWaalsContact C-N 3.34Å; D114-L200 HydrophobicContact CB-CD2 3.55Å; D114-L200 VanDerWaalsContact CG-CD2 3.5Å; D114-H280 IonicContact OD2-CD2 2.71Å; D114-H280 PolarHBondContact OD2-CD2 3.4Å; D114-H280 IonicContact OD2-NE2 3.2Å; D114-D284 WeakPolarHBondContact CB-OD2 3.39Å; D114-D284 PolarHBondContact N-OD2 3.4Å
115S95.8Very high96.3Very high0 Ų022.2 Ų22.20%012%0.118CC..Iπ-helixcis-129.147.6-6.1-930000111.4H97 V117 P118 C119 D199H97-S115 VanDerWaalsContact CD2-CB 3.45Å; H97-S115 WeakPolarHBondContact CD2-CB 3.49Å; H97-S115 PolarHBondContact CD2-OG 3.49Å; H97-S115 PolarHBondContact CE1-N 2.84Å; H97-S115 WeakPolarHBondContact NE2-CB 3.16Å; H97-S115 PolarHBondContact NE2-OG 2.95Å; H97-S115 VanDerWaalsContact O-CB 3.27Å; H97-S115 WeakPolarHBondContact O-CB 3.38Å; S115-V117 PolarHBondContact O-N 2.95Å; S115-P118 WeakPolarHBondContact O-CD 3.4Å; S115-C119 PolarHBondContact O-N 2.94Å; S115-C119 VanDerWaalsContact O-N 3.11Å; S115-C119 PolarHBondContact O-SG 2.65Å; S115-D199 PolarHBondContact OG-OD1 3.49Å
116A97.9Very high96.2Very high0 Ų016.3 Ų16.30%08%0.08CC..Iπ-helixtrans-62.7-42.617900000112.5L29 I32 L33 G111 A112 C119 A120L29-A116 HydrophobicContact CD1-CB 3.99Å; L29-A116 WeakPolarHBondContact CD1-O 3.22Å; I32-A116 HydrophobicContact CB-CB 4.24Å; I32-A116 HydrophobicContact CG2-CB 3.72Å; L33-A116 HydrophobicContact CD2-CB 4.03Å; G111-A116 PolarHBondContact O-N 3.33Å; A112-A116 WeakPolarHBondContact O-CB 3.23Å; A112-A116 PolarHBondContact O-N 3.17Å; A116-C119 WeakPolarHBondContact O-CB 3.23Å; A116-C119 PolarHBondContact O-N 2.85Å; A116-A120 PolarHBondContact O-N 3.44Å
117V98.6Very high96.2Very high1 Ų111.3 Ų11.31%0.0066%0.058CC..Hα-helixtrans-63-49.2175.6164.50000112.4L29 A112 S115 C119 A120 I121 M201 L289 I294L29-V117 HydrophobicContact CD1-CG2 4.01Å; L29-V117 HydrophobicContact CD2-CG2 4.03Å; A112-V117 WeakPolarHBondContact O-CG2 3.41Å; A112-V117 PolarHBondContact O-N 3.44Å; S115-V117 PolarHBondContact O-N 2.95Å; V117-C119 VanDerWaalsContact C-N 3.3Å; V117-C119 PolarHBondContact O-N 3.4Å; V117-A120 PolarHBondContact O-N 3.45Å; V117-A120 VanDerWaalsContact O-N 3.13Å; V117-I121 HydrophobicContact CG1-CD1 3.75Å; V117-I121 HydrophobicContact CG1-CG1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 3.41Å; V117-M201 VanDerWaalsContact CB-O 3.24Å; V117-M201 WeakPolarHBondContact CB-O 3.4Å; V117-M201 HydrophobicContact CG1-CB 4.2Å; V117-M201 WeakPolarHBondContact CG1-O 3.33Å; V117-L289 HydrophobicContact CG2-CD1 4.05Å; V117-L289 HydrophobicContact CG2-CD2 3.64Å; V117-L289 HydrophobicContact CG2-CG 4.49Å; V117-I294 HydrophobicContact CG1-CD1 4.4Å; V117-I294 HydrophobicContact CG1-CG1 4.02Å; V117-I294 HydrophobicContact CG1-CG2 4.05Å; V117-I294 HydrophobicContact CG2-CD1 3.89Å; V117-I294 HydrophobicContact CG2-CG1 4.41Å
118P97.2Very high96.1Very high0 Ų08.9 Ų8.90%05%0.048CC..Hα-helixtrans-50.6-45.1170.4-33.537.1000114.3C96 S115 A120 I121 M122 L198 M201C96-P118 HydrophobicContact CB-CB 3.53Å; S115-P118 WeakPolarHBondContact O-CD 3.4Å; P118-A120 PolarHBondContact O-N 3.39Å; P118-I121 PolarHBondContact O-N 2.87Å; P118-M122 WeakPolarHBondContact O-CG 3.41Å; P118-M122 PolarHBondContact O-N 3.38Å; P118-L198 HydrophobicContact CB-CB 3.93Å; P118-L198 HydrophobicContact CG-CB 4.43Å; P118-M201 HydrophobicContact CG-CB 4.08Å; P118-M201 HydrophobicContact CG-CG 4.24Å
119C95.8Very high95.8Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-57.7-47.6175.7-68.40000111.5I32 L50 C96 H97 S115 A116 V117 M122 L123I32-C119 HydrophobicContact CD1-CB 3.65Å; I32-C119 HydrophobicContact CG2-CB 4.49Å; L50-C119 HydrophobicContact CD2-CB 4.41Å; C96-C119 PolarHBondContact SG-SG 3.34Å; H97-C119 PolarHBondContact O-SG 3.05Å; H97-C119 VanDerWaalsContact O-SG 3.4Å; S115-C119 PolarHBondContact O-N 2.94Å; S115-C119 VanDerWaalsContact O-N 3.11Å; S115-C119 PolarHBondContact O-SG 2.65Å; A116-C119 WeakPolarHBondContact O-CB 3.23Å; A116-C119 PolarHBondContact O-N 2.85Å; V117-C119 VanDerWaalsContact C-N 3.3Å; V117-C119 PolarHBondContact O-N 3.4Å; C119-M122 WeakPolarHBondContact O-CB 3.39Å; C119-M122 PolarHBondContact O-N 3.34Å; C119-L123 PolarHBondContact O-N 3.47Å; C119-L123 VanDerWaalsContact O-N 3.11Å
120A97.6Very high95.1Very high1 Ų16.5 Ų6.51%0.0083%0.034CC..Hα-helixtrans-66.8-39.2-179.100000113L25 L29 A116 V117 P118 M122 L123 D124L25-A120 HydrophobicContact CD1-CB 4.28Å; L29-A120 HydrophobicContact CB-CB 3.68Å; L29-A120 HydrophobicContact CD1-CB 3.92Å; L29-A120 HydrophobicContact CG-CB 4.36Å; A116-A120 PolarHBondContact O-N 3.44Å; V117-A120 PolarHBondContact O-N 3.45Å; V117-A120 VanDerWaalsContact O-N 3.13Å; P118-A120 PolarHBondContact O-N 3.39Å; A120-M122 VanDerWaalsContact C-N 3.32Å; A120-M122 PolarHBondContact O-N 2.95Å; A120-L123 PolarHBondContact O-N 3.48Å; A120-D124 PolarHBondContact O-N 2.84Å
121I97Very high94.4Very high1 Ų114 Ų141%0.0056%0.06CC..Hα-helixtrans-59.7-45.2174.1-74.2172.1000110.2L25 V117 P118 L123 D124 V125 L198 L297 A298 F301L25-I121 HydrophobicContact CD1-CG1 4.34Å; V117-I121 HydrophobicContact CG1-CD1 3.75Å; V117-I121 HydrophobicContact CG1-CG1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 3.41Å; P118-I121 PolarHBondContact O-N 2.87Å; I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 3.48Å; I121-D124 PolarHBondContact O-N 2.95Å; I121-V125 HydrophobicContact CG2-CG2 4.43Å; I121-V125 VanDerWaalsContact O-CG2 3.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.35Å; I121-L198 HydrophobicContact CG2-CD2 4.09Å; I121-L297 HydrophobicContact CD1-CB 3.94Å; I121-L297 HydrophobicContact CD1-CD1 4.47Å; I121-A298 HydrophobicContact CG1-CB 4.43Å; I121-F301 HydrophobicContact CG2-CB 4.21Å; I121-F301 HydrophobicContact CG2-CD2 3.56Å; I121-F301 HydrophobicContact CG2-CE2 4.33Å; I121-F301 HydrophobicContact CG2-CG 4.17Å
122M94.6Very high93.7Very high2 Ų218 Ų181%0.018%0.076CC..Hα-helixtrans-59.9-43.1177.7-82.2175.957.400112L94 A95 C96 P118 C119 A120 A126 L142 V144L94-M122 HydrophobicContact CB-CE 4.42Å; L94-M122 HydrophobicContact CB-CG 4.24Å; L94-M122 HydrophobicContact CB-SD 4.41Å; L94-M122 VanDerWaalsContact O-CE 3.29Å; L94-M122 WeakPolarHBondContact O-CE 3.3Å; A95-M122 VanDerWaalsContact C-SD 3.56Å; C96-M122 HydrophobicContact CB-SD 4.01Å; P118-M122 WeakPolarHBondContact O-CG 3.41Å; P118-M122 PolarHBondContact O-N 3.38Å; C119-M122 WeakPolarHBondContact O-CB 3.39Å; C119-M122 PolarHBondContact O-N 3.34Å; A120-M122 VanDerWaalsContact C-N 3.32Å; A120-M122 PolarHBondContact O-N 2.95Å; M122-A126 WeakPolarHBondContact O-CB 3.46Å; M122-A126 PolarHBondContact O-N 2.87Å; M122-L142 HydrophobicContact CB-CD2 3.67Å; M122-L142 HydrophobicContact CE-CB 4.09Å; M122-L142 HydrophobicContact CE-CD2 3.84Å; M122-L142 HydrophobicContact CG-CD2 3.89Å; M122-L142 WeakPolarHBondContact O-CD2 3.37Å; M122-V144 HydrophobicContact CE-CG2 3.65Å
123L94.7Very high92.3Very high4 Ų418.2 Ų18.22%0.0218%0.077CC..Hα-helixtrans-64.7-42.6174.3-65.9179.8000112.6Y28 Y49 L50 M54 C119 A120 I121 V125 A126 D127Y28-L123 HydrophobicContact CD1-CB 3.7Å; Y28-L123 HydrophobicContact CD1-CD1 3.45Å; Y28-L123 VanDerWaalsContact CD1-CD1 3.45Å; Y28-L123 HydrophobicContact CD1-CG 4.17Å; Y28-L123 HydrophobicContact CD2-CB 3.84Å; Y28-L123 HydrophobicContact CE1-CB 4.05Å; Y28-L123 HydrophobicContact CE1-CD1 4.1Å; Y28-L123 HydrophobicContact CE2-CB 4.16Å; Y28-L123 HydrophobicContact CG-CB 3.62Å; Y28-L123 HydrophobicContact CG-CD1 3.97Å; Y28-L123 HydrophobicContact CG-CG 4.46Å; Y49-L123 HydrophobicContact CE1-CD1 4.17Å; L50-L123 HydrophobicContact CD2-CD1 3.82Å; L50-L123 HydrophobicContact CD2-CG 4.48Å; M54-L123 HydrophobicContact CG-CD2 3.93Å; M54-L123 HydrophobicContact SD-CD2 3.43Å; M54-L123 WeakPolarHBondContact SD-CD2 3.35Å; C119-L123 PolarHBondContact O-N 3.47Å; C119-L123 VanDerWaalsContact O-N 3.11Å; A120-L123 PolarHBondContact O-N 3.48Å; I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 3.48Å; L123-V125 PolarHBondContact O-N 3.43Å; L123-A126 WeakPolarHBondContact O-CB 3.32Å; L123-A126 PolarHBondContact O-N 3.02Å; L123-D127 WeakPolarHBondContact O-CB 3.24Å; L123-D127 PolarHBondContact O-N 3.23Å
124D96.4Very high90.5Very high1 Ų122 Ų221%0.00510%0.103CC..Hα-helixtrans-62.5-41.8177.2-176.678.5000112.2R24 L25 A120 I121 S128 R302R24-D124 IonicContact CZ-OD1 3.16Å; R24-D124 IonicContact NE-OD1 2.82Å; R24-D124 PolarHBondContact NE-OD1 3.07Å; R24-D124 IonicContact NH2-OD1 3.95Å; R24-D124 PolarHBondContact NH2-OD1 3.43Å; R24-D124 IonicContact NH2-OD2 3.49Å; L25-D124 HydrophobicContact CD1-CB 3.82Å; A120-D124 PolarHBondContact O-N 2.84Å; I121-D124 PolarHBondContact O-N 2.95Å; D124-S128 VanDerWaalsContact O-CB 3.24Å; D124-S128 WeakPolarHBondContact O-CB 3.33Å; D124-S128 PolarHBondContact O-N 3.04Å; D124-S128 PolarHBondContact O-OG 2.8Å; D124-R302 IonicContact OD2-NH2 3.6Å; D124-R302 PolarHBondContact OD2-NH2 3.46Å
125V93.6Very high88.4Confident1 Ų129.2 Ų29.21%0.00614%0.141CC..Hα-helixtrans-63.4-43.5174.91720000110.6L94 I121 L123 S128 L129 F301 R302 T305L94-V125 HydrophobicContact CD1-CG1 4.22Å; I121-V125 HydrophobicContact CG2-CG2 4.43Å; I121-V125 VanDerWaalsContact O-CG2 3.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.35Å; L123-V125 PolarHBondContact O-N 3.43Å; V125-S128 PolarHBondContact O-OG 3.47Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 WeakPolarHBondContact O-CB 3.43Å; V125-L129 PolarHBondContact O-N 3.09Å; V125-F301 HydrophobicContact CG2-CB 3.83Å; V125-R302 HydrophobicContact CG2-CB 4.41Å; V125-T305 HydrophobicContact CG1-CG2 4.14Å
126A90.8Very high86.2Confident1 Ų131.2 Ų31.21%0.00816%0.162CC..Hα-helixtrans-58.7-51.6177.800000111.6M54 L57 Y59 M122 L123 Q130 L142M54-A126 HydrophobicContact CE-CB 4.07Å; M54-A126 HydrophobicContact SD-CB 4.07Å; L57-A126 HydrophobicContact CD1-CB 3.84Å; Y59-A126 HydrophobicContact CE2-CB 4.17Å; M122-A126 WeakPolarHBondContact O-CB 3.46Å; M122-A126 PolarHBondContact O-N 2.87Å; L123-A126 WeakPolarHBondContact O-CB 3.32Å; L123-A126 PolarHBondContact O-N 3.02Å; A126-Q130 WeakPolarHBondContact O-CA 3.36Å; A126-Q130 WeakPolarHBondContact O-CB 3.36Å; A126-Q130 PolarHBondContact O-N 2.9Å; A126-L142 HydrophobicContact CB-CD1 3.3Å
127D93.6Very high83.8Confident34 Ų3437 Ų3718%0.18220%0.202CC..Hα-helixtrans-64.6-49.9-177.2-175.6-51.9000111.3R24 Y28 L57 L123 L129 Q130R24-D127 WeakPolarHBondContact CD-OD1 3.49Å; R24-D127 WeakPolarHBondContact CD-OD2 3.42Å; R24-D127 IonicContact NE-OD1 3.75Å; R24-D127 IonicContact NH1-OD1 2.74Å; R24-D127 PolarHBondContact NH1-OD1 3.43Å; Y28-D127 HydrophobicContact CE2-CB 3.9Å; Y28-D127 PolarHBondContact OH-OD2 3.47Å; L57-D127 HydrophobicContact CD1-CB 3.94Å; L57-D127 HydrophobicContact CD2-CB 3.99Å; L123-D127 WeakPolarHBondContact O-CB 3.24Å; L123-D127 PolarHBondContact O-N 3.23Å; D127-L129 VanDerWaalsContact C-N 3.28Å; D127-L129 PolarHBondContact O-N 3.36Å; D127-Q130 PolarHBondContact O-N 2.92Å
128S93.6Very high81.2Confident7 Ų737.8 Ų37.85%0.04921%0.209CC..Hα-helixtrans-63.5-31.7-177.557.40000113.8D124 V125 R302D124-S128 VanDerWaalsContact O-CB 3.24Å; D124-S128 WeakPolarHBondContact O-CB 3.33Å; D124-S128 PolarHBondContact O-N 3.04Å; D124-S128 PolarHBondContact O-OG 2.8Å; V125-S128 PolarHBondContact O-OG 3.47Å; S128-R302 VanDerWaalsContact OG-CD 3.3Å; S128-R302 WeakPolarHBondContact OG-CD 3.22Å; S128-R302 WeakPolarHBondContact OG-CG 3.47Å; S128-R302 PolarHBondContact OG-NE 2.81Å
129L89.1Confident79.3Confident0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-99.3-12-177.9-63.1-179.9000114.1L16 L19 V125 D127 R131 Y132 A133 R302 T305 A306 I311L16-L129 HydrophobicContact CD2-CD2 3.98Å; L19-L129 HydrophobicContact CD1-CD2 4.4Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 WeakPolarHBondContact O-CB 3.43Å; V125-L129 PolarHBondContact O-N 3.09Å; D127-L129 VanDerWaalsContact C-N 3.28Å; D127-L129 PolarHBondContact O-N 3.36Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.91Å; L129-Y132 PolarHBondContact O-N 3.07Å; L129-A133 WeakPolarHBondContact O-CB 3.15Å; L129-A133 PolarHBondContact O-N 2.6Å; L129-R302 HydrophobicContact CD1-CG 4.11Å; L129-R302 HydrophobicContact CD2-CG 3.75Å; L129-R302 HydrophobicContact CG-CG 3.83Å; L129-T305 HydrophobicContact CD1-CG2 3.7Å; L129-A306 HydrophobicContact CD1-CB 4.49Å; L129-A306 HydrophobicContact CD2-CB 4.33Å; L129-I311 HydrophobicContact CB-CD1 4.47Å; L129-I311 HydrophobicContact CD1-CD1 4.36Å
130Q82.3Confident77.3Confident46 Ų4639.7 Ų39.722%0.21522%0.218CC..Hα-helixtrans-47.5-53.4-173-173.1-155.73.700112.5L57 A126 D127 Y132 A133 C134L57-Q130 HydrophobicContact CB-CG 4.43Å; L57-Q130 VanDerWaalsContact O-CG 3.31Å; L57-Q130 WeakPolarHBondContact O-CG 3.37Å; L57-Q130 PolarHBondContact O-NE2 2.8Å; A126-Q130 WeakPolarHBondContact O-CA 3.36Å; A126-Q130 WeakPolarHBondContact O-CB 3.36Å; A126-Q130 PolarHBondContact O-N 2.9Å; D127-Q130 PolarHBondContact O-N 2.92Å; Q130-Y132 PolarHBondContact O-N 2.85Å; Q130-A133 PolarHBondContact O-N 2.92Å; Q130-C134 PolarHBondContact O-N 3.47Å; Q130-C134 PolarHBondContact O-SG 2.91Å; Q130-C134 VanDerWaalsContact O-SG 3.34Å
131R82.9Confident75.1Confident191 Ų19139.9 Ų39.972%0.72122%0.219SC*.Hα-helixtrans-65.1-25-173.9-56.4-176.2-154.1-175.15.9113.3L129L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.91Å
132Y83.1Confident72.9Confident84 Ų8439.9 Ų39.933%0.32922%0.219SC..Hα-helixtrans-97.5-28.7-176.5-52.6-74.5000112.2L19 L129 Q130 C134 I313L19-Y132 HydrophobicContact CD1-CD2 4.42Å; L19-Y132 HydrophobicContact CD1-CE2 3.92Å; L19-Y132 HydrophobicContact CD2-CE2 4.14Å; L129-Y132 PolarHBondContact O-N 3.07Å; Q130-Y132 PolarHBondContact O-N 2.85Å; Y132-C134 VanDerWaalsContact C-N 3.29Å; Y132-C134 PolarHBondContact O-N 3.23Å; Y132-I313 HydrophobicContact CD1-CB 3.92Å; Y132-I313 HydrophobicContact CD1-CG2 3.3Å; Y132-I313 HydrophobicContact CD2-CG2 3.75Å; Y132-I313 HydrophobicContact CE1-CB 3.83Å; Y132-I313 HydrophobicContact CE1-CG2 3.66Å; Y132-I313 HydrophobicContact CE2-CG2 4.09Å; Y132-I313 HydrophobicContact CG-CB 4.39Å; Y132-I313 HydrophobicContact CG-CG2 3.32Å
133A68.9Low70.7Confident4 Ų440.1 Ų40.13%0.03322%0.22CC..Hα-helixtrans-69-27.2176.200000112.4L84 L129 Q130 I311L84-A133 HydrophobicContact CD2-CB 3.5Å; L84-A133 VanDerWaalsContact CD2-CB 3.5Å; L129-A133 WeakPolarHBondContact O-CB 3.15Å; L129-A133 PolarHBondContact O-N 2.6Å; Q130-A133 PolarHBondContact O-N 2.92Å; A133-I311 HydrophobicContact CB-CD1 4.01Å
134C59.3Low68.5Low80 Ų8040.4 Ų40.454%0.54122%0.223SC..THydrogen-bonded Turntrans-72.2-27.4178.8-66.20000114.1Q130 Y132Q130-C134 PolarHBondContact O-N 3.47Å; Q130-C134 PolarHBondContact O-SG 2.91Å; Q130-C134 VanDerWaalsContact O-SG 3.34Å; Y132-C134 VanDerWaalsContact C-N 3.29Å; Y132-C134 PolarHBondContact O-N 3.23Å
135N53.6Low66.2Low155 Ų15541.1 Ų41.183%0.82923%0.226SC*.THydrogen-bonded Turntrans-87.5-3.4-175.9-79.2-2.3000114.1
136G50.2Low63.3Low42 Ų4241.4 Ų41.443%0.43323%0.227SC..SBendtrans-125.3166.4-178.400000113.3A138G136-A138 PolarHBondContact O-N 3.4Å
137S46.1Very low61Low121 Ų12141.4 Ų41.485%0.84623%0.227SC*.SBendtrans-65.29.6174-47.40000114.3
138A44.8Very low58.2Low18 Ų1841.9 Ų41.915%0.14923%0.228CC..  trans-110.5133-160.300000112.5G136 L309 I311G136-A138 PolarHBondContact O-N 3.4Å; A138-L309 HydrophobicContact CB-CB 3.94Å; A138-L309 WeakPolarHBondContact CB-O 3.28Å; A138-I311 HydrophobicContact CB-CG1 4.29Å
139K58.4Low55.5Low38 Ų3843.4 Ų43.417%0.16523%0.234CC..  trans-137.9113.2-153.4-50.5-174.3-178.2-162.40112.3N85 A88 L309N85-K139 HydrophobicContact CB-CD 3.87Å; N85-K139 HydrophobicContact CB-CG 4.19Å; N85-K139 VanDerWaalsContact ND2-CE 3.33Å; N85-K139 WeakPolarHBondContact ND2-CE 3.29Å; N85-K139 PolarHBondContact ND2-NZ 2.71Å; N85-K139 PolarHBondContact OD1-NZ 2.99Å; A88-K139 HydrophobicContact CB-CB 4.15Å; A88-K139 HydrophobicContact CB-CD 3.17Å; A88-K139 HydrophobicContact CB-CG 4.23Å; K139-L309 WeakPolarHBondContact O-CD2 3.26Å
140V53Low52.6Low3 Ų344.3 Ų44.32%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-88.1131.9173.3-172.60000109.5Y59 L84 L142 T305 L309Y59-V140 HydrophobicContact CE1-CB 4.49Å; L84-V140 PolarHBondContact N-O 2.95Å; V140-L142 HydrophobicContact CG1-CD1 3.96Å; V140-L142 HydrophobicContact CG1-CG 3.85Å; V140-T305 HydrophobicContact CG2-CG2 3.85Å; V140-L309 HydrophobicContact CB-CD1 4.07Å; V140-L309 HydrophobicContact CG2-CD1 3.13Å
141C50.6Low50.1Low4 Ų445.3 Ų45.33%0.02725%0.25CC..EExtended strand (participates in β ladder)trans-111.9126160.1-159.60000107.5T83 R91 L92 T93 L94T83-C141 PolarHBondContact OG1-SG 2.83Å; T83-C141 VanDerWaalsContact OG1-SG 3.33Å; R91-C141 HydrophobicContact CB-CB 4.07Å; R91-C141 HydrophobicContact CG-CB 4.48Å; L92-C141 PolarHBondContact O-N 2.98Å; L92-C141 VanDerWaalsContact O-O 3.13Å; T93-C141 WeakPolarHBondContact CA-O 2.91Å; L94-C141 PolarHBondContact N-O 3.35Å; L94-C141 VanDerWaalsContact N-O 3.11Å
142L51.6Low47.4Very low2 Ų238.3 Ų38.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-107.6118.9172.3-72.3141.8000106.5M54 Y59 A82 L94 M122 A126 V140M54-L142 HydrophobicContact CE-CB 3.99Å; M54-L142 HydrophobicContact CE-CD1 3.36Å; M54-L142 HydrophobicContact CE-CG 4.31Å; M54-L142 HydrophobicContact SD-CD1 4.22Å; Y59-L142 HydrophobicContact CD1-CD1 4.46Å; Y59-L142 HydrophobicContact CE1-CD1 3.66Å; A82-L142 CarbonylContact C-O 3.48Å; A82-L142 WeakPolarHBondContact CA-O 3.44Å; A82-L142 HydrophobicContact CB-CB 4.49Å; A82-L142 WeakPolarHBondContact CB-O 3.39Å; A82-L142 PolarHBondContact N-O 3.29Å; A82-L142 PolarHBondContact O-N 3.27Å; L94-L142 HydrophobicContact CB-CD2 4.04Å; L94-L142 HydrophobicContact CD1-CD2 4.08Å; L94-L142 HydrophobicContact CG-CD2 4.48Å; M122-L142 HydrophobicContact CB-CD2 3.67Å; M122-L142 HydrophobicContact CE-CB 4.09Å; M122-L142 HydrophobicContact CE-CD2 3.84Å; M122-L142 HydrophobicContact CG-CD2 3.89Å; M122-L142 WeakPolarHBondContact O-CD2 3.37Å; A126-L142 HydrophobicContact CB-CD1 3.3Å; V140-L142 HydrophobicContact CG1-CD1 3.96Å; V140-L142 HydrophobicContact CG1-CG 3.85Å
143C48.6Very low44.7Very low6 Ų636.3 Ų36.34%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-117103.2-178.9-178.40000107.9T93 L94 A95T93-C143 HydrophobicContact CG2-CB 3.59Å; L94-C143 PolarHBondContact O-N 2.91Å; A95-C143 WeakPolarHBondContact CA-O 3.4Å; A95-C143 HydrophobicContact CB-CB 4.43Å; A95-C143 WeakPolarHBondContact CB-O 3.28Å
144V48.2Very low42.8Very low11 Ų1143.3 Ų43.37%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-91109.6170.6-173.60000106.6L50 I80 Y98 M122L50-V144 HydrophobicContact CD1-CG1 4.05Å; I80-V144 CarbonylContact C-O 3.5Å; I80-V144 WeakPolarHBondContact CA-O 3.23Å; I80-V144 HydrophobicContact CB-CB 4.36Å; I80-V144 PolarHBondContact N-O 3.39Å; I80-V144 CarbonylContact O-C 3.6Å; I80-V144 PolarHBondContact O-N 3.38Å; Y98-V144 HydrophobicContact CD1-CG1 3.78Å; Y98-V144 HydrophobicContact CG-CG1 4.12Å; M122-V144 HydrophobicContact CE-CG2 3.65Å
145Q47.2Very low41.3Very low15 Ų1540 Ų407%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-89.4154.1179.8-163.9168.2-38.900109.9N79 C96 H97 Y98N79-Q145 VanDerWaalsContact OD1-CG 3.28Å; N79-Q145 WeakPolarHBondContact OD1-CG 3.48Å; C96-Q145 PolarHBondContact O-N 3.45Å; H97-Q145 VanDerWaalsContact CA-O 3.23Å; H97-Q145 WeakPolarHBondContact CA-O 3.5Å; Y98-Q145 WeakPolarHBondContact CD1-O 3.21Å; Y98-Q145 PolarHBondContact N-O 3.31Å
146Q33.8Very low39.9Very low7 Ų733.4 Ų33.43%0.03321%0.205CC..  trans-99.2126.8168.7-146.8-172.497.100107.7H43 F77 T78 N79 Y98 D99H43-Q146 PolarHBondContact CE1-NE2 3.49Å; H43-Q146 PolarHBondContact NE2-NE2 3.32Å; H43-Q146 PolarHBondContact NE2-OE1 3.26Å; F77-Q146 VanDerWaalsContact CB-OE1 3.25Å; T78-Q146 PolarHBondContact O-NE2 2.97Å; N79-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N79-Q146 PolarHBondContact OD1-N 3.11Å; N79-Q146 PolarHBondContact OD1-O 3.01Å; Y98-Q146 HydrophobicContact CD1-CB 4.28Å; Y98-Q146 HydrophobicContact CD1-CG 4.1Å; Y98-Q146 HydrophobicContact CE1-CB 3.69Å; Y98-Q146 HydrophobicContact CE1-CG 3.48Å; Y98-Q146 VanDerWaalsContact CE1-CG 3.48Å; Y98-Q146 HydrophobicContact CE2-CG 4.45Å; Y98-Q146 VanDerWaalsContact CZ-NE2 3.26Å; Y98-Q146 PolarHBondContact OH-NE2 2.93Å; D99-Q146 HydrophobicContact CB-CG 4.48Å
147C42.2Very low38.8Very low2 Ų233.9 Ų33.91%0.01420%0.198CC..  trans-114.9150.5-162.5-60.40000111H97 D99 F149 D256H97-C147 HydrophobicContact CB-CB 3.44Å; H97-C147 VanDerWaalsContact CB-CB 3.44Å; H97-C147 WeakPolarHBondContact CB-SG 3.24Å; D99-C147 PolarHBondContact OD1-N 3.36Å; C147-F149 HydrophobicContact CB-CD2 4.35Å; C147-F149 HydrophobicContact CB-CE2 4.03Å; C147-F149 PolarHBondContact O-N 3.43Å; C147-D256 WeakPolarHBondContact CB-OD1 3.33Å; C147-D256 PolarHBondContact SG-OD1 3.49Å; C147-D256 PolarHBondContact SG-OD2 2.96Å
148H35.5Very low37.8Very low43 Ų4332.2 Ų32.220%0.19917%0.174CC..  trans-102.673.6-160.5-138.2101.5000109.4L68 T70 F77 V150L68-H148 WeakPolarHBondContact CD1-CE1 3.39Å; T70-H148 WeakPolarHBondContact CG2-NE2 3.28Å; F77-H148 AromaticContact CD1-ND1 3.88Å; F77-H148 AromaticContact CD2-CE1 3.91Å; F77-H148 AromaticContact CE1-CE1 3.44Å; F77-H148 VanDerWaalsContact CE1-CE1 3.44Å; F77-H148 WeakPolarHBondContact CE1-CE1 3.17Å; F77-H148 AromaticContact CE1-ND1 3.37Å; F77-H148 WeakPolarHBondContact CE1-ND1 3.44Å; F77-H148 AromaticContact CE2-CE1 3.16Å; F77-H148 WeakPolarHBondContact CE2-CE1 3.07Å; F77-H148 AromaticContact CE2-ND1 3.84Å; F77-H148 AromaticContact CZ-CE1 2.91Å; F77-H148 WeakPolarHBondContact CZ-CE1 3.23Å; F77-H148 AromaticContact CZ-ND1 3.39Å; F77-H148 WeakPolarHBondContact CZ-ND1 3.38Å; F77-H148 AromaticContact CZ-NE2 3.52Å; H148-V150 PolarHBondContact O-N 3.45Å
149F36.4Very low36.9Very low39 Ų3937.7 Ų37.717%0.17120%0.199CC..  trans-93.984.4172.6-67.6-70.9000110.4C147 F155C147-F149 HydrophobicContact CB-CD2 4.35Å; C147-F149 HydrophobicContact CB-CE2 4.03Å; C147-F149 PolarHBondContact O-N 3.43Å; F149-F155 HydrophobicContact CD1-CD2 4.37Å; F149-F155 AromaticContact CD1-CE2 3.97Å; F149-F155 HydrophobicContact CD1-CE2 3.97Å; F149-F155 AromaticContact CE1-CD2 3.7Å; F149-F155 HydrophobicContact CE1-CD2 3.7Å; F149-F155 AromaticContact CE1-CE2 3.08Å; F149-F155 HydrophobicContact CE1-CE2 3.08Å; F149-F155 AromaticContact CE1-CZ 3.68Å; F149-F155 HydrophobicContact CE1-CZ 3.68Å; F149-F155 HydrophobicContact CE2-CE2 4.29Å; F149-F155 HydrophobicContact CZ-CD2 4.32Å; F149-F155 AromaticContact CZ-CE2 3.28Å; F149-F155 HydrophobicContact CZ-CE2 3.28Å; F149-F155 AromaticContact CZ-CZ 3.48Å; F149-F155 HydrophobicContact CZ-CZ 3.48Å; F149-F155 VanDerWaalsContact CZ-CZ 3.48Å
150V28.3Very low35.4Very low20 Ų2043.2 Ų43.212%0.12122%0.224CC..  trans-62.3134.6167.5-162.60000107.9N71 H148 G152 S153N71-V150 HydrophobicContact CB-CG1 3.65Å; N71-V150 WeakPolarHBondContact ND2-CG1 3.41Å; H148-V150 PolarHBondContact O-N 3.45Å; V150-G152 PolarHBondContact O-N 2.93Å; V150-G152 VanDerWaalsContact O-N 3.1Å; V150-S153 VanDerWaalsContact CB-OG 3.31Å; V150-S153 WeakPolarHBondContact CB-OG 3.45Å; V150-S153 PolarHBondContact N-OG 2.73Å; V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 3.22Å; V150-S153 PolarHBondContact O-OG 2.94Å
151P28.8Very low34.1Very low66 Ų6654 Ų5443%0.42926%0.264SS..THydrogen-bonded Turntrans-52.2119.8166-21.931.8000108.9
152G26.5Very low33.1Very low45 Ų4565 Ų6546%0.46431%0.305SS..THydrogen-bonded Turntrans104.5-8.9-17200000115.9V150 Y154V150-G152 PolarHBondContact O-N 2.93Å; V150-G152 VanDerWaalsContact O-N 3.1Å; G152-Y154 VanDerWaalsContact O-CD2 3.28Å; G152-Y154 WeakPolarHBondContact O-CD2 2.93Å; G152-Y154 PolarHBondContact O-N 2.83Å
153S27.9Very low31.9Very low42 Ų4275.9 Ų75.929%0.29435%0.346SS..  trans-82.2102166.4-27.40000107.5V150V150-S153 VanDerWaalsContact CB-OG 3.31Å; V150-S153 WeakPolarHBondContact CB-OG 3.45Å; V150-S153 PolarHBondContact N-OG 2.73Å; V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 3.22Å; V150-S153 PolarHBondContact O-OG 2.94Å
154Y27.3Very low30.8Very low150 Ų15087.3 Ų87.359%0.58839%0.388SS*.  trans-75.7131.6176.5-64.4-88.7000109.2G152 A156G152-Y154 VanDerWaalsContact O-CD2 3.28Å; G152-Y154 WeakPolarHBondContact O-CD2 2.93Å; G152-Y154 PolarHBondContact O-N 2.83Å; Y154-A156 PolarHBondContact O-N 3.32Å; Y154-A156 VanDerWaalsContact O-N 3.12Å
155F28.2Very low29.8Very low12 Ų1292.6 Ų92.65%0.05343%0.426CS..  trans-60.3111.3155.7-96.9-94.9000107.3F149 I157 I253 E254 D255 I271 F275 W279F149-F155 HydrophobicContact CD1-CD2 4.37Å; F149-F155 AromaticContact CD1-CE2 3.97Å; F149-F155 HydrophobicContact CD1-CE2 3.97Å; F149-F155 AromaticContact CE1-CD2 3.7Å; F149-F155 HydrophobicContact CE1-CD2 3.7Å; F149-F155 AromaticContact CE1-CE2 3.08Å; F149-F155 HydrophobicContact CE1-CE2 3.08Å; F149-F155 AromaticContact CE1-CZ 3.68Å; F149-F155 HydrophobicContact CE1-CZ 3.68Å; F149-F155 HydrophobicContact CE2-CE2 4.29Å; F149-F155 HydrophobicContact CZ-CD2 4.32Å; F149-F155 AromaticContact CZ-CE2 3.28Å; F149-F155 HydrophobicContact CZ-CE2 3.28Å; F149-F155 AromaticContact CZ-CZ 3.48Å; F149-F155 HydrophobicContact CZ-CZ 3.48Å; F149-F155 VanDerWaalsContact CZ-CZ 3.48Å; F155-I157 PolarHBondContact O-N 3.48Å; F155-I253 HydrophobicContact CD1-CG2 3.94Å; F155-I253 HydrophobicContact CE1-CG2 4.02Å; F155-E254 WeakPolarHBondContact CD1-O 3.28Å; F155-E254 WeakPolarHBondContact CE1-O 3.2Å; F155-D255 HydrophobicContact CE1-CB 4.06Å; F155-I271 HydrophobicContact CE1-CD1 4.47Å; F155-F275 HydrophobicContact CD1-CE2 4.45Å; F155-W279 HydrophobicContact CB-CH2 4.16Å; F155-W279 HydrophobicContact CB-CZ2 3.93Å; F155-W279 AromaticContact CD2-CZ2 3.84Å; F155-W279 HydrophobicContact CD2-CZ2 3.84Å; F155-W279 HydrophobicContact CG-CZ2 4.05Å
156A25.4Very low28.8Very low15 Ų1598.5 Ų98.512%0.12446%0.463CS..  trans-88.7106.1173.200000109.4Y154 Y158 E254Y154-A156 PolarHBondContact O-N 3.32Å; Y154-A156 VanDerWaalsContact O-N 3.12Å; A156-Y158 HydrophobicContact CB-CD2 4.19Å; A156-Y158 HydrophobicContact CB-CE2 3.51Å; A156-E254 HydrophobicContact CB-CG 4.44Å
157I26.3Very low28.4Very low53 Ų53107 Ų10727%0.27250%0.502SS..EExtended strand (participates in β ladder)trans-86.2111165.7-55177.6000107.8F155 L159 F252 F275F155-I157 PolarHBondContact O-N 3.48Å; I157-L159 HydrophobicContact CG2-CD2 3.92Å; I157-L159 HydrophobicContact CG2-CG 3.88Å; I157-L159 PolarHBondContact O-N 2.95Å; I157-F252 WeakPolarHBondContact CA-O 3.42Å; I157-F275 HydrophobicContact CD1-CD2 4.14Å; I157-F275 HydrophobicContact CD1-CE1 4.23Å; I157-F275 HydrophobicContact CD1-CE2 3.69Å; I157-F275 HydrophobicContact CD1-CZ 3.74Å; I157-F275 HydrophobicContact CG1-CE2 4.25Å; I157-F275 HydrophobicContact CG1-CZ 4.12Å
158Y26Very low27.6Very low86 Ų86118.8 Ų118.834%0.33755%0.547SS..EExtended strand (participates in β ladder)trans-91.5101.8170.8-60.7-88.1000109.9A156 F252A156-Y158 HydrophobicContact CB-CD2 4.19Å; A156-Y158 HydrophobicContact CB-CE2 3.51Å; Y158-F252 HydrophobicContact CD2-CB 4.25Å; Y158-F252 AromaticContact CD2-CD1 3.9Å; Y158-F252 HydrophobicContact CD2-CD1 3.9Å; Y158-F252 HydrophobicContact CE2-CD1 4.37Å; Y158-F252 PolarHBondContact N-O 3.12Å; Y158-F252 PolarHBondContact O-N 3.1Å
159L25Very low27.2Very low132 Ų132123.2 Ų123.269%0.69157%0.569SS**  trans-89.9101.9171.3-65.3177.9000110.3I157 R161 A251I157-L159 HydrophobicContact CG2-CD2 3.92Å; I157-L159 HydrophobicContact CG2-CG 3.88Å; I157-L159 PolarHBondContact O-N 2.95Å; L159-R161 PolarHBondContact O-N 3.07Å; L159-R161 VanDerWaalsContact O-N 3.16Å; L159-A251 HydrophobicContact CD2-CB 3.96Å
160F26.3Very low26.7Very low155 Ų155125.8 Ų125.868%0.6859%0.588SS**  trans-8090.7170.9-75-84.3000110.9
161R25.8Very low26.6Very low229 Ų229131.2 Ų131.286%0.86461%0.612SS**  trans-91.8125162.9-90.5-178.673106.2-6.2111L159 R163L159-R161 PolarHBondContact O-N 3.07Å; L159-R161 VanDerWaalsContact O-N 3.16Å; R161-R163 PolarHBondContact O-N 3.32Å
162R29.2Very low26.4Very low234 Ų234134.9 Ų134.988%0.88362%0.621SS**SBendtrans-67.595.1164.1-97.6-172.6167.2175.2-3.9108.8
163R27.2Very low26.3Very low232 Ų232143.7 Ų143.788%0.87564%0.64SS**SBendtrans146.1119.1149.4-85.4178.1172.1148.9-1.5109.3R161R161-R163 PolarHBondContact O-N 3.32Å
164R26.3Very low26.1Very low246 Ų246148 Ų14893%0.92865%0.654SS**SBendtrans29.6119.2162.3-68.8-178174158.7-2.1116.5
165S25.8Very low26.1Very low122 Ų122145.6 Ų145.685%0.85366%0.657SS**  trans101.475.3174.2-370000114.1Q167S165-Q167 PolarHBondContact O-N 2.76Å
166V26.8Very low26.4Very low139 Ų139149.3 Ų149.384%0.84268%0.677SS**  trans-76.8105.5157.7177.10000106.2R168V166-R168 PolarHBondContact O-N 2.87Å
167Q26.2Very low26.6Very low186 Ų186156.9 Ų156.987%0.86970%0.702SS**  trans-66.8117.4163.2-97.9174.1-22.300107.4S165 M169S165-Q167 PolarHBondContact O-N 2.76Å; Q167-M169 PolarHBondContact O-N 3.03Å
168R23.8Very low27Very low249 Ų249156.5 Ų156.594%0.9470%0.7SS**  trans-50.3122.1172.3-84.3175.1161.3176.3-5.9109V166V166-R168 PolarHBondContact O-N 2.87Å
169M28.7Very low27.4Very low135 Ų135152.8 Ų152.867%0.66569%0.687SS**  trans-117.2133.5161.9-149.1155.279.700108.3Q167 Q171Q167-M169 PolarHBondContact O-N 3.03Å; M169-Q171 PolarHBondContact O-N 2.77Å
170V25.6Very low27.8Very low94 Ų94151.9 Ų151.957%0.5769%0.689SS**  trans-62.6123.2-162177.70000111.3F172V170-F172 HydrophobicContact CG1-CD2 3.6Å; V170-F172 HydrophobicContact CG1-CE2 3.53Å
171Q26.1Very low28.5Very low134 Ų134145.6 Ų145.663%0.62666%0.664SS**  trans-77.7120.7168.4-96.2179.1-23.100109.4M169M169-Q171 PolarHBondContact O-N 2.77Å
172F24.1Very low28.7Very low143 Ų143136.5 Ų136.563%0.62764%0.641SS**  trans-126.992.8149.8-81.9-77.3000108.2V170 F174V170-F172 HydrophobicContact CG1-CD2 3.6Å; V170-F172 HydrophobicContact CG1-CE2 3.53Å; F172-F174 HydrophobicContact CB-CE2 4.49Å; F172-F174 PolarHBondContact O-N 3.5Å; F172-F174 VanDerWaalsContact O-N 3.16Å
173R24.7Very low29.1Very low229 Ų229127.2 Ų127.286%0.86461%0.612SS**  trans-68.7103.7166.1-93-179.3166.5173.2-4.9107.7
174F24.4Very low29.6Very low134 Ų134117 Ų11759%0.58858%0.575SS**  trans-98.3139.9151.1-79-84.7000108F172 L176F172-F174 HydrophobicContact CB-CE2 4.49Å; F172-F174 PolarHBondContact O-N 3.5Å; F172-F174 VanDerWaalsContact O-N 3.16Å; F174-L176 PolarHBondContact O-N 3.03Å
175P26.9Very low29.9Very low98 Ų98108.8 Ų108.864%0.63656%0.555SS**  trans-59.5117168.225.7-30000106.4R177P175-R177 PolarHBondContact O-N 2.83Å
176L33.1Very low30.4Very low91 Ų91106.8 Ų106.848%0.47655%0.545SS..  trans-52.197.7163.5-114.2140.4000105.7F174 I178F174-L176 PolarHBondContact O-N 3.03Å; L176-I178 HydrophobicContact CB-CD1 3.81Å; L176-I178 HydrophobicContact CB-CG1 4.48Å; L176-I178 HydrophobicContact CD2-CD1 3.95Å; L176-I178 HydrophobicContact CD2-CG1 3.82Å; L176-I178 HydrophobicContact CG-CD1 4.5Å; L176-I178 WeakPolarHBondContact O-CD1 3.23Å; L176-I178 PolarHBondContact O-N 3.5Å
177R31.1Very low31.1Very low174 Ų174101.3 Ų101.366%0.65751%0.511SS*.  trans-82.277.8171.3-78.8-172.5176.3-164.80.6105.7L68 P175L68-R177 WeakPolarHBondContact CD1-O 2.93Å; P175-R177 PolarHBondContact O-N 2.83Å
178I34.3Very low31.7Very low45 Ų4595.2 Ų95.223%0.23149%0.488CS..  trans-66.1147.7166.3-54.4103.4000106.9L176 P259L176-I178 HydrophobicContact CB-CD1 3.81Å; L176-I178 HydrophobicContact CB-CG1 4.48Å; L176-I178 HydrophobicContact CD2-CD1 3.95Å; L176-I178 HydrophobicContact CD2-CG1 3.82Å; L176-I178 HydrophobicContact CG-CD1 4.5Å; L176-I178 WeakPolarHBondContact O-CD1 3.23Å; L176-I178 PolarHBondContact O-N 3.5Å; I178-P259 HydrophobicContact CD1-CB 3.47Å; I178-P259 VanDerWaalsContact CD1-CB 3.47Å; I178-P259 HydrophobicContact CD1-CG 3.12Å; I178-P259 HydrophobicContact CG1-CB 4.04Å; I178-P259 HydrophobicContact CG1-CG 3.58Å
179A34.9Very low32.6Very low8 Ų888.4 Ų88.47%0.06648%0.478CS..  trans-37.8151.4163.200000110.4F66 V181F66-A179 HydrophobicContact CD1-CB 3.96Å; F66-A179 HydrophobicContact CD2-CB 3.52Å; F66-A179 HydrophobicContact CE1-CB 3.85Å; F66-A179 HydrophobicContact CE2-CB 3.41Å; F66-A179 VanDerWaalsContact CE2-CB 3.41Å; F66-A179 HydrophobicContact CG-CB 3.82Å; F66-A179 HydrophobicContact CZ-CB 3.58Å; A179-V181 PolarHBondContact O-N 2.82Å
180P33.2Very low33.4Very low112 Ų11291.1 Ų91.173%0.72749%0.486SS*.  trans-47.8125.6156.824.5-31.2000105.4G182P180-G182 PolarHBondContact O-N 2.83Å
181V40.1Very low34.7Very low24 Ų2491 Ų9115%0.14548%0.475CS..  trans-60.28.8177.8-175.20000109.7A179 S183 I184 S185A179-V181 PolarHBondContact O-N 2.82Å; V181-S183 VanDerWaalsContact C-N 3.3Å; V181-S183 CarbonylContact O-C 3.56Å; V181-S183 PolarHBondContact O-N 3.07Å; V181-I184 HydrophobicContact CG1-CB 3.69Å; V181-I184 HydrophobicContact CG1-CG2 4.08Å; V181-I184 CarbonylContact O-C 3.49Å; V181-I184 VanDerWaalsContact O-CA 3.31Å; V181-I184 WeakPolarHBondContact O-CA 3.35Å; V181-I184 PolarHBondContact O-N 2.03Å; V181-S185 WeakPolarHBondContact O-CB 3.09Å; V181-S185 PolarHBondContact O-N 3.16Å; V181-S185 PolarHBondContact O-OG 3.02Å
182G30.7Very low36.3Very low37 Ų3786.4 Ų86.438%0.38145%0.453SS..Hα-helixtrans-22.1-60-17800000114.6P180 I184 S185 A186P180-G182 PolarHBondContact O-N 2.83Å; G182-I184 PolarHBondContact O-N 3.06Å; G182-S185 WeakPolarHBondContact CA-OG 3.47Å; G182-S185 PolarHBondContact N-OG 3.49Å; G182-S185 VanDerWaalsContact N-OG 3.08Å; G182-S185 PolarHBondContact O-N 3.28Å; G182-S185 PolarHBondContact O-OG 3.34Å; G182-A186 VanDerWaalsContact O-CB 3.24Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 2.96Å
183S36.9Very low38.6Very low40 Ų4080.4 Ų80.428%0.2843%0.428SS..Hα-helixtrans-70.7-31.7-177.3-310000113.1V181V181-S183 VanDerWaalsContact C-N 3.3Å; V181-S183 CarbonylContact O-C 3.56Å; V181-S183 PolarHBondContact O-N 3.07Å
184I37.1Very low41.4Very low18 Ų1869.5 Ų69.59%0.09239%0.387CS..Hα-helixtrans-93.1-23.5175.5-58.9175000112.6I81 V181 G182 L187 K192 F260I81-I184 HydrophobicContact CD1-CD1 4.1Å; I81-I184 HydrophobicContact CD1-CG1 3.53Å; V181-I184 HydrophobicContact CG1-CB 3.69Å; V181-I184 HydrophobicContact CG1-CG2 4.08Å; V181-I184 CarbonylContact O-C 3.49Å; V181-I184 VanDerWaalsContact O-CA 3.31Å; V181-I184 WeakPolarHBondContact O-CA 3.35Å; V181-I184 PolarHBondContact O-N 2.03Å; G182-I184 PolarHBondContact O-N 3.06Å; I184-L187 WeakPolarHBondContact O-CB 3.17Å; I184-L187 PolarHBondContact O-N 3.06Å; I184-K192 HydrophobicContact CG2-CD 4.4Å; I184-K192 PolarHBondContact O-NZ 3.07Å; I184-F260 HydrophobicContact CD1-CE1 3.74Å; I184-F260 HydrophobicContact CD1-CZ 3.78Å; I184-F260 HydrophobicContact CG2-CE1 3.95Å
185S34.4Very low44.3Very low73 Ų7363.4 Ų63.451%0.5136%0.36SS..Hα-helixtrans-81.9-21.6175.655.90000111.1V181 G182 L187V181-S185 WeakPolarHBondContact O-CB 3.09Å; V181-S185 PolarHBondContact O-N 3.16Å; V181-S185 PolarHBondContact O-OG 3.02Å; G182-S185 WeakPolarHBondContact CA-OG 3.47Å; G182-S185 PolarHBondContact N-OG 3.49Å; G182-S185 VanDerWaalsContact N-OG 3.08Å; G182-S185 PolarHBondContact O-N 3.28Å; G182-S185 PolarHBondContact O-OG 3.34Å; S185-L187 PolarHBondContact O-N 2.77Å
186A36.4Very low47.4Very low79 Ų7958.7 Ų58.765%0.65333%0.33SS*.THydrogen-bonded Turntrans-62.6-19163.500000112.2G182 P188G182-A186 VanDerWaalsContact O-CB 3.24Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 2.96Å; A186-P188 VanDerWaalsContact O-CD 3.29Å; A186-P188 WeakPolarHBondContact O-CD 3.45Å
187L39.5Very low50.2Low25 Ų2554.5 Ų54.513%0.13131%0.308CS..SBendtrans-85111.5166.5-67.7160.8000108.6R91 I184 S185 S189R91-L187 VanDerWaalsContact NH1-CD1 3.26Å; I184-L187 WeakPolarHBondContact O-CB 3.17Å; I184-L187 PolarHBondContact O-N 3.06Å; S185-L187 PolarHBondContact O-N 2.77Å; L187-S189 PolarHBondContact O-N 3.2Å
188P39.5Very low53.3Low58 Ų5846.3 Ų46.338%0.37728%0.277SS..  trans-48.8136.9178.1-23.131000109.4A186 K190 R191A186-P188 VanDerWaalsContact O-CD 3.29Å; A186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-K190 PolarHBondContact O-N 2.84Å; P188-R191 HydrophobicContact CB-CG 4.29Å; P188-R191 HydrophobicContact CG-CG 4.28Å; P188-R191 PolarHBondContact O-N 2.89Å
189S43.3Very low56.2Low105 Ų10544.2 Ų44.273%0.73427%0.266SS*.G310 helixtrans-48.9-25.8177.460.90000112.9L187 R191L187-S189 PolarHBondContact O-N 3.2Å; S189-R191 PolarHBondContact O-N 3.18Å
190K44.5Very low59.1Low192 Ų19243.9 Ų43.984%0.83526%0.263SS*.G310 helixtrans-65-11173-63.6-173177.7-179.30115.5P188P188-K190 PolarHBondContact O-N 2.84Å
191R53.7Low62.2Low92 Ų9238.5 Ų38.535%0.34723%0.229SC..G310 helixtrans-103.2-3.4-172.9-59.5-162.9-169.5-171.16.3116.7P89 R90 R91 P188 S189P89-R191 WeakPolarHBondContact O-CA 3.05Å; P89-R191 VanDerWaalsContact O-CB 3.28Å; P89-R191 WeakPolarHBondContact O-CB 3.29Å; P89-R191 WeakPolarHBondContact O-CG 3.38Å; R90-R191 CarbonylContact C-O 3.33Å; R90-R191 WeakPolarHBondContact CA-O 3.43Å; R91-R191 PolarHBondContact N-O 2.84Å; R91-R191 VanDerWaalsContact N-O 3.16Å; P188-R191 HydrophobicContact CB-CG 4.29Å; P188-R191 HydrophobicContact CG-CG 4.28Å; P188-R191 PolarHBondContact O-N 2.89Å; S189-R191 PolarHBondContact O-N 3.18Å
192K58.9Low65Low37 Ų3737.4 Ų37.416%0.16122%0.222CC..EExtended strand (participates in β ladder)trans-109.3121.8-176.4-63.1178-166.5134.30110.5I184 V265I184-K192 HydrophobicContact CG2-CD 4.4Å; I184-K192 PolarHBondContact O-NZ 3.07Å; K192-V265 HydrophobicContact CD-CG2 4.4Å
193D72.4Confident68.2Low17 Ų1736.6 Ų36.69%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-88.7-47.5-173.3-122.118.7000111.3H3 R90 R91 Y308H3-D193 IonicContact CD2-OD2 2.99Å; R90-D193 IonicContact CZ-OD1 3.42Å; R90-D193 IonicContact CZ-OD2 2.96Å; R90-D193 VanDerWaalsContact NE-CG 3.26Å; R90-D193 IonicContact NE-OD1 2.92Å; R90-D193 PolarHBondContact NE-OD1 2.92Å; R90-D193 IonicContact NE-OD2 2.79Å; R90-D193 PolarHBondContact NE-OD2 2.85Å; R90-D193 VanDerWaalsContact NE-OD2 3.08Å; R90-D193 IonicContact NH2-OD1 3.9Å; R90-D193 PolarHBondContact NH2-OD1 2.98Å; R90-D193 IonicContact NH2-OD2 3.41Å; R90-D193 PolarHBondContact NH2-OD2 3.31Å; R91-D193 WeakPolarHBondContact O-CB 3.34Å; R91-D193 PolarHBondContact O-N 2.94Å; D193-Y308 HydrophobicContact CB-CE1 4.33Å; D193-Y308 VanDerWaalsContact CB-OH 3.29Å; D193-Y308 WeakPolarHBondContact CB-OH 3.46Å; D193-Y308 PolarHBondContact OD2-OH 3.14Å
194A83.5Confident71.1Confident0 Ų042.7 Ų42.70%023%0.228CC..EExtended strand (participates in β ladder)trans-159147.5168.700000110.5L92 T93 F216 V219 K266L92-A194 HydrophobicContact CD1-CB 4.4Å; T93-A194 PolarHBondContact N-O 3Å; A194-F216 HydrophobicContact CB-CD1 4.11Å; A194-V219 HydrophobicContact CB-CB 4.43Å; A194-V219 HydrophobicContact CB-CG1 4.25Å; A194-V219 HydrophobicContact CB-CG2 3.9Å; A194-K266 CarbonylContact C-O 3.5Å; A194-K266 WeakPolarHBondContact CA-O 3Å
195L86.8Confident73.9Confident6 Ų644.6 Ų44.63%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-94.9123.7162.2175.966.5000108T93 A95 H257 F260 V265 K266 V267 V268T93-L195 HydrophobicContact CG2-CD1 3.81Å; T93-L195 CarbonylContact O-C 3.54Å; T93-L195 WeakPolarHBondContact O-CA 3.47Å; A95-L195 HydrophobicContact CB-CD1 3.65Å; L195-H257 HydrophobicContact CD2-CB 4.42Å; L195-F260 HydrophobicContact CD2-CB 3.86Å; L195-F260 HydrophobicContact CD2-CD1 4.34Å; L195-F260 HydrophobicContact CD2-CD2 3.59Å; L195-F260 HydrophobicContact CD2-CE2 4.18Å; L195-F260 HydrophobicContact CD2-CG 3.67Å; L195-V265 HydrophobicContact CB-CG1 4.03Å; L195-K266 PolarHBondContact N-O 3.26Å; L195-V267 HydrophobicContact CB-CG2 4.46Å; L195-V267 HydrophobicContact CD2-CG2 4.29Å; L195-V267 CarbonylContact O-C 3.57Å; L195-V267 WeakPolarHBondContact O-CA 3.21Å; L195-V268 PolarHBondContact O-N 3.21Å
196V91.7Very high76.9Confident0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-110.8104.6171.1-175.20000106.7L92 T93 L94 A95 L198 V219 V268 L270 F304L92-V196 HydrophobicContact CD1-CG2 3.84Å; T93-V196 PolarHBondContact O-N 3.24Å; L94-V196 CarbonylContact C-O 3.6Å; L94-V196 WeakPolarHBondContact CA-O 3.5Å; L94-V196 HydrophobicContact CD2-CB 3.78Å; L94-V196 HydrophobicContact CD2-CG1 4.23Å; L94-V196 HydrophobicContact CD2-CG2 4.18Å; A95-V196 PolarHBondContact N-O 2.87Å; V196-L198 HydrophobicContact CG1-CD1 4.02Å; V196-L198 WeakPolarHBondContact O-CD1 3.27Å; V196-V219 HydrophobicContact CG2-CG1 4.23Å; V196-V268 CarbonylContact C-O 3.41Å; V196-V268 WeakPolarHBondContact CA-O 3.29Å; V196-V268 HydrophobicContact CG1-CB 4.45Å; V196-V268 HydrophobicContact CG2-CB 4.28Å; V196-L270 HydrophobicContact CG1-CD1 3.47Å; V196-L270 VanDerWaalsContact CG1-CD1 3.47Å; V196-L270 HydrophobicContact CG1-CG 4.07Å; V196-F304 HydrophobicContact CG2-CE1 4.16Å; V196-F304 HydrophobicContact CG2-CZ 4Å
197L91.9Very high79.9Confident3 Ų340.3 Ų40.32%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-93.4124.3-179.1179.761.1000109.3A95 D255 D256 H257 V268 L270A95-L197 HydrophobicContact CB-CD1 4.15Å; A95-L197 CarbonylContact O-C 3.55Å; A95-L197 WeakPolarHBondContact O-CA 3.48Å; L197-D255 HydrophobicContact CD2-CB 4.37Å; L197-D255 WeakPolarHBondContact CD2-OD2 3.44Å; L197-D256 HydrophobicContact CD1-CB 4.23Å; L197-D256 HydrophobicContact CD2-CB 3.88Å; L197-H257 HydrophobicContact CD2-CB 3.74Å; L197-V268 PolarHBondContact N-O 3.01Å; L197-L270 WeakPolarHBondContact O-CA 3.16Å; L197-L270 WeakPolarHBondContact O-CB 3.15Å; L197-L270 PolarHBondContact O-N 2.95Å
198L94.9Very high82.7Confident1 Ų139.1 Ų39.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-105.7125178.6-71.372.1000108.2A95 C96 P118 I121 V196 M201 F301A95-L198 PolarHBondContact O-N 3.45Å; C96-L198 VanDerWaalsContact CB-O 3.28Å; C96-L198 WeakPolarHBondContact CB-O 3.38Å; P118-L198 HydrophobicContact CB-CB 3.93Å; P118-L198 HydrophobicContact CG-CB 4.43Å; I121-L198 HydrophobicContact CG2-CD2 4.09Å; V196-L198 HydrophobicContact CG1-CD1 4.02Å; V196-L198 WeakPolarHBondContact O-CD1 3.27Å; L198-M201 HydrophobicContact CB-CE 3.69Å; L198-M201 HydrophobicContact CB-SD 4.19Å; L198-M201 HydrophobicContact CD2-CE 4.22Å; L198-M201 HydrophobicContact CD2-SD 4.1Å; L198-M201 HydrophobicContact CG-CE 3.7Å; L198-M201 HydrophobicContact CG-SD 4.22Å; L198-F301 HydrophobicContact CD2-CD2 4.09Å; L198-F301 HydrophobicContact CD2-CE1 4.23Å; L198-F301 HydrophobicContact CD2-CE2 3.75Å; L198-F301 HydrophobicContact CD2-CG 4.47Å; L198-F301 HydrophobicContact CD2-CZ 3.84Å; L198-F301 HydrophobicContact CG-CE1 4.36Å; L198-F301 HydrophobicContact CG-CE2 4.43Å; L198-F301 HydrophobicContact CG-CZ 4.06Å
199D95.5Very high85.5Confident1 Ų138.4 Ų38.41%0.00518%0.184CC..  trans-146153.5177.7-167.619000111.6H97 S115 M201 L270 I271 P272H97-D199 IonicContact CD2-OD1 3.91Å; H97-D199 IonicContact NE2-OD1 3.75Å; H97-D199 PolarHBondContact NE2-OD1 2.83Å; S115-D199 PolarHBondContact OG-OD1 3.49Å; D199-M201 VanDerWaalsContact C-N 3.33Å; D199-M201 WeakPolarHBondContact O-CG 3.43Å; D199-M201 PolarHBondContact O-N 2.8Å; D199-L270 PolarHBondContact N-O 2.71Å; D199-I271 HydrophobicContact CB-CB 4.43Å; D199-I271 HydrophobicContact CB-CD1 4.25Å; D199-I271 HydrophobicContact CB-CG1 4.25Å; D199-I271 WeakPolarHBondContact OD2-CD1 3.5Å; D199-P272 WeakPolarHBondContact O-CD 3.35Å
200L97.2Very high88Confident1 Ų133.4 Ų33.41%0.00515%0.15CC..SBendtrans50.743.1176.2-49.6-172.7000114.7T113 D114 I271 P272 F275 P276 W279T113-L200 CarbonylContact O-C 3.58Å; T113-L200 WeakPolarHBondContact O-CA 3.41Å; T113-L200 PolarHBondContact O-N 3.39Å; D114-L200 HydrophobicContact CB-CD2 3.55Å; D114-L200 VanDerWaalsContact CG-CD2 3.5Å; L200-I271 HydrophobicContact CB-CG1 4.16Å; L200-I271 HydrophobicContact CD1-CD1 3.75Å; L200-I271 HydrophobicContact CD1-CG1 3.94Å; L200-I271 HydrophobicContact CG-CD1 4Å; L200-I271 HydrophobicContact CG-CG1 4.01Å; L200-P272 HydrophobicContact CB-CG 4.22Å; L200-P272 WeakPolarHBondContact O-CD 3.47Å; L200-P272 VanDerWaalsContact O-CG 3.28Å; L200-P272 WeakPolarHBondContact O-CG 3.47Å; L200-F275 HydrophobicContact CD1-CB 4.09Å; L200-F275 HydrophobicContact CD1-CD1 3.88Å; L200-F275 HydrophobicContact CD1-CD2 3.64Å; L200-F275 HydrophobicContact CD1-CE1 4.17Å; L200-F275 HydrophobicContact CD1-CE2 3.93Å; L200-F275 HydrophobicContact CD1-CG 3.61Å; L200-F275 HydrophobicContact CD1-CZ 4.19Å; L200-P276 HydrophobicContact CB-CG 4.1Å; L200-P276 WeakPolarHBondContact O-CG 3.38Å; L200-W279 HydrophobicContact CD1-CG 4.27Å
201M97.8Very high90.4Very high0 Ų024.3 Ų24.30%011%0.11CC..  trans-100145.2-178-57.7-167.1-178.100112.3T113 V117 P118 L198 D199 F208 L270 L297 F301T113-M201 WeakPolarHBondContact CA-O 3.14Å; T113-M201 WeakPolarHBondContact CB-O 3.48Å; T113-M201 PolarHBondContact O-N 2.89Å; T113-M201 VanDerWaalsContact O-N 3.13Å; V117-M201 VanDerWaalsContact CB-O 3.24Å; V117-M201 WeakPolarHBondContact CB-O 3.4Å; V117-M201 HydrophobicContact CG1-CB 4.2Å; V117-M201 WeakPolarHBondContact CG1-O 3.33Å; P118-M201 HydrophobicContact CG-CB 4.08Å; P118-M201 HydrophobicContact CG-CG 4.24Å; L198-M201 HydrophobicContact CB-CE 3.69Å; L198-M201 HydrophobicContact CB-SD 4.19Å; L198-M201 HydrophobicContact CD2-CE 4.22Å; L198-M201 HydrophobicContact CD2-SD 4.1Å; L198-M201 HydrophobicContact CG-CE 3.7Å; L198-M201 HydrophobicContact CG-SD 4.22Å; D199-M201 VanDerWaalsContact C-N 3.33Å; D199-M201 WeakPolarHBondContact O-CG 3.43Å; D199-M201 PolarHBondContact O-N 2.8Å; M201-F208 HydrophobicContact CE-CE1 3.68Å; M201-F208 HydrophobicContact CE-CZ 3.84Å; M201-F208 HydrophobicContact CG-CE1 4.27Å; M201-F208 HydrophobicContact CG-CZ 3.97Å; M201-F208 HydrophobicContact SD-CZ 4.12Å; M201-L270 HydrophobicContact CE-CB 3.56Å; M201-L270 WeakPolarHBondContact CE-O 3.39Å; M201-L297 HydrophobicContact CB-CD1 4.14Å; M201-L297 HydrophobicContact SD-CD1 4.25Å; M201-F301 HydrophobicContact CE-CE2 4.18Å; M201-F301 HydrophobicContact CE-CZ 3.8Å; M201-F301 HydrophobicContact SD-CE2 3.71Å; M201-F301 HydrophobicContact SD-CZ 3.97Å
202G98.3Very high92.2Very high0 Ų025.7 Ų25.70%012%0.12CC..  trans130.2-18.8169.200000114.9H290G202-H290 PolarHBondContact O-N 3.25Å
203A98.2Very high93.7Very high20 Ų2027.8 Ų27.817%0.16513%0.131CC..SBendtrans-69.1161.4168.100000111.7T113 P276 T293T113-A203 HydrophobicContact CG2-CB 4.49Å; A203-P276 HydrophobicContact CB-CB 3.89Å; A203-P276 HydrophobicContact CB-CG 4.16Å; A203-T293 WeakPolarHBondContact O-CG2 3.36Å
204R97.7Very high94.7Very high169 Ų16928 Ų2864%0.63813%0.13SC*.SBendtrans-68.4139.7-179.8-166.6176.7-158.8-164.21.9111.7M240 H290R204-M240 HydrophobicContact CG-CE 4.2Å; R204-H290 HydrophobicContact CB-CB 3.85Å; R204-H290 HydrophobicContact CG-CB 4.41Å; R204-H290 PolarHBondContact NE-NE2 3.1Å
205N96Very high95.2Very high58 Ų5828.7 Ų28.731%0.3114%0.135SC..SBendtrans54.253.3172.9-57.6-29.2000115.2N207 M240 L241N205-N207 PolarHBondContact O-ND2 2.98Å; N205-M240 WeakPolarHBondContact OD1-CE 3.22Å; N205-L241 HydrophobicContact CB-CD1 4.49Å
206P98.2Very high95.5Very high11 Ų1130.7 Ų30.77%0.07114%0.143CC..  trans-66.5150.2174.631.1-35.3000110.7F208 M243 P272 T293P206-F208 HydrophobicContact CB-CE2 3.7Å; P206-F208 HydrophobicContact CB-CZ 3.82Å; P206-F208 HydrophobicContact CG-CE2 3.74Å; P206-F208 HydrophobicContact CG-CZ 4.17Å; P206-M243 HydrophobicContact CG-CG 4.04Å; P206-M243 HydrophobicContact CG-SD 3.82Å; P206-M243 WeakPolarHBondContact O-CA 3.37Å; P206-P272 HydrophobicContact CB-CB 3.8Å; P206-T293 HydrophobicContact CG-CG2 3.8Å
207N98.3Very high95.6Very high50 Ų5033.1 Ų33.127%0.26716%0.156SC..  trans-123.7112.1175.2-62.8-84.7000109.9N205 F209 M243 H245 P272 L273N205-N207 PolarHBondContact O-ND2 2.98Å; N207-F209 HydrophobicContact CB-CE2 3.6Å; N207-F209 HydrophobicContact CB-CZ 3.91Å; N207-M243 CarbonylContact C-O 3.57Å; N207-M243 WeakPolarHBondContact CA-O 3.45Å; N207-H245 PolarHBondContact OD1-NE2 2.87Å; N207-P272 CarbonylContact O-C 3.27Å; N207-P272 VanDerWaalsContact O-CA 3.26Å; N207-P272 WeakPolarHBondContact O-CA 3.33Å; N207-L273 WeakPolarHBondContact CB-O 3.39Å; N207-L273 PolarHBondContact O-N 3.3Å
208F98.2Very high95.6Very high0 Ų036.6 Ų36.60%018%0.175CC..EExtended strand (participates in β ladder)trans-99.4138.2177.5-56.9-77.7000110.2M201 P206 Y220 M243 F244 H245 L270 P272 L297M201-F208 HydrophobicContact CE-CE1 3.68Å; M201-F208 HydrophobicContact CE-CZ 3.84Å; M201-F208 HydrophobicContact CG-CE1 4.27Å; M201-F208 HydrophobicContact CG-CZ 3.97Å; M201-F208 HydrophobicContact SD-CZ 4.12Å; P206-F208 HydrophobicContact CB-CE2 3.7Å; P206-F208 HydrophobicContact CB-CZ 3.82Å; P206-F208 HydrophobicContact CG-CE2 3.74Å; P206-F208 HydrophobicContact CG-CZ 4.17Å; F208-Y220 PolarHBondContact O-OH 3.46Å; F208-M243 HydrophobicContact CD2-CB 4.26Å; F208-M243 HydrophobicContact CE2-CB 4.46Å; F208-M243 PolarHBondContact N-O 3.42Å; F208-F244 HydrophobicContact CB-CD1 3.72Å; F208-F244 HydrophobicContact CB-CE1 4Å; F208-F244 AromaticContact CD2-CD1 3.94Å; F208-F244 HydrophobicContact CD2-CD1 3.94Å; F208-F244 AromaticContact CD2-CE1 3.63Å; F208-F244 HydrophobicContact CD2-CE1 3.63Å; F208-F244 HydrophobicContact CD2-CE2 4.45Å; F208-F244 HydrophobicContact CD2-CG 4.48Å; F208-F244 AromaticContact CD2-CZ 3.92Å; F208-F244 HydrophobicContact CD2-CZ 3.92Å; F208-F244 HydrophobicContact CE2-CE1 4.33Å; F208-F244 HydrophobicContact CE2-CZ 4.25Å; F208-F244 HydrophobicContact CG-CD1 4.09Å; F208-F244 AromaticContact CG-CE1 3.89Å; F208-F244 HydrophobicContact CG-CE1 3.89Å; F208-H245 WeakPolarHBondContact O-CB 3.33Å; F208-H245 PolarHBondContact O-N 3.35Å; F208-L270 HydrophobicContact CD1-CB 4.19Å; F208-L270 HydrophobicContact CE1-CB 4.44Å; F208-P272 HydrophobicContact CE1-CB 4.13Å; F208-P272 HydrophobicContact CE1-CG 4.42Å; F208-P272 HydrophobicContact CZ-CB 4.43Å; F208-L297 HydrophobicContact CE2-CD2 3.88Å; F208-L297 HydrophobicContact CZ-CD2 4.45Å
209F98Very high95.5Very high43 Ų4336.7 Ų36.719%0.18918%0.175CC..EExtended strand (participates in β ladder)trans-131.8151.2-179.9-59.2-86.7000110N207 Y220 H245 Q247 T249 L273N207-F209 HydrophobicContact CB-CE2 3.6Å; N207-F209 HydrophobicContact CB-CZ 3.91Å; F209-Y220 VanDerWaalsContact CA-OH 3.22Å; F209-Y220 WeakPolarHBondContact CA-OH 3.34Å; F209-H245 HydrophobicContact CD1-CB 3.52Å; F209-H245 HydrophobicContact CE1-CB 3.45Å; F209-H245 VanDerWaalsContact CE1-CB 3.45Å; F209-H245 AromaticContact CE1-CD2 3.72Å; F209-H245 AromaticContact CE1-CG 3.57Å; F209-H245 HydrophobicContact CG-CB 4.44Å; F209-H245 HydrophobicContact CZ-CB 4.34Å; F209-H245 AromaticContact CZ-CD2 3.73Å; F209-Q247 HydrophobicContact CD1-CB 4.15Å; F209-Q247 HydrophobicContact CE1-CB 4.36Å; F209-T249 HydrophobicContact CB-CG2 3.88Å; F209-L273 HydrophobicContact CD2-CB 4.04Å; F209-L273 HydrophobicContact CD2-CD1 4.37Å; F209-L273 HydrophobicContact CE2-CB 4.11Å
210A96.9Very high95.5Very high1 Ų136.8 Ų36.81%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-70.6132.916600000110T215 L217 Y220 M248 T249A210-T215 HydrophobicContact CB-CG2 3.77Å; A210-L217 HydrophobicContact CB-CD2 3.64Å; A210-Y220 HydrophobicContact CB-CD1 3.67Å; A210-Y220 HydrophobicContact CB-CD2 4.25Å; A210-Y220 HydrophobicContact CB-CE1 3.76Å; A210-Y220 HydrophobicContact CB-CE2 4.32Å; A210-Y220 HydrophobicContact CB-CG 3.92Å; A210-Y220 VanDerWaalsContact N-CZ 3.29Å; A210-Y220 PolarHBondContact N-OH 2.75Å; A210-M248 HydrophobicContact CB-CG 4.02Å; A210-M248 CarbonylContact O-C 3.49Å; A210-M248 WeakPolarHBondContact O-CA 3.24Å; A210-M248 WeakPolarHBondContact O-CB 3.32Å; A210-T249 PolarHBondContact O-N 3.42Å
211H94Very high95.4Very high1 Ų143 Ų431%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-84120.8174.9-68.3-96.9000110.7Q213 Y214 T215 T249 A251 I253H211-Q213 PolarHBondContact O-N 3.06Å; H211-Q213 VanDerWaalsContact O-N 3.11Å; H211-Y214 HydrophobicContact CB-CD1 4.38Å; H211-Y214 HydrophobicContact CB-CD2 3.97Å; H211-Y214 HydrophobicContact CB-CE1 3.9Å; H211-Y214 HydrophobicContact CB-CE2 3.42Å; H211-Y214 VanDerWaalsContact CB-CE2 3.42Å; H211-Y214 HydrophobicContact CB-CG 4.4Å; H211-Y214 AromaticContact CD2-CE2 3.94Å; H211-Y214 AromaticContact CD2-CZ 3.95Å; H211-Y214 PolarHBondContact CD2-OH 3.04Å; H211-Y214 PolarHBondContact CE1-OH 3.35Å; H211-Y214 AromaticContact CG-CE2 3.67Å; H211-Y214 AromaticContact CG-CZ 3.42Å; H211-Y214 VanDerWaalsContact CG-CZ 3.42Å; H211-Y214 AromaticContact ND1-CZ 3.76Å; H211-Y214 PolarHBondContact ND1-OH 3.36Å; H211-Y214 PolarHBondContact O-N 3.01Å; H211-T215 WeakPolarHBondContact CB-OG1 3.44Å; H211-T215 PolarHBondContact N-OG1 2.88Å; H211-T215 VanDerWaalsContact O-CB 3.32Å; H211-T215 WeakPolarHBondContact O-CB 3.39Å; H211-T215 PolarHBondContact O-N 2.94Å; H211-T215 PolarHBondContact O-OG1 2.75Å; H211-T249 HydrophobicContact CB-CG2 4.49Å; H211-T249 WeakPolarHBondContact ND1-CG2 2.92Å; H211-A251 PolarHBondContact ND1-O 2.8Å; H211-I253 VanDerWaalsContact CE1-CD1 3.47Å; H211-I253 WeakPolarHBondContact CE1-CD1 3.5Å
212H92.8Very high95.3Very high120 Ų12043.1 Ų43.156%0.55620%0.2SC*.THydrogen-bonded Turntrans-57.3-29.8-175.1-174.1-75.5000113.9M248 T249H212-M248 VanDerWaalsContact CA-CE 3.48Å; H212-M248 HydrophobicContact CB-CE 4.05Å; H212-T249 WeakPolarHBondContact CB-O 3.37Å; H212-T249 PolarHBondContact N-O 3.15Å
213Q90.4Very high95.2Very high82 Ų8243.1 Ų43.138%0.38320%0.2SC..THydrogen-bonded Turntrans-75.8-32.2-174.9-58.593.3-31.500113.5H211 R250 F252H211-Q213 PolarHBondContact O-N 3.06Å; H211-Q213 VanDerWaalsContact O-N 3.11Å; Q213-R250 PolarHBondContact NE2-O 3.16Å; Q213-F252 HydrophobicContact CB-CD2 4.38Å; Q213-F252 HydrophobicContact CG-CD2 4.18Å
214Y92Very high95.2Very high20 Ų2042.6 Ų42.68%0.07820%0.195CC..THydrogen-bonded Turntrans-149.2-9.1-163.855.4-109.9000116.3H211 F216 F252 H257 L261 V267 H269H211-Y214 HydrophobicContact CB-CD1 4.38Å; H211-Y214 HydrophobicContact CB-CD2 3.97Å; H211-Y214 HydrophobicContact CB-CE1 3.9Å; H211-Y214 HydrophobicContact CB-CE2 3.42Å; H211-Y214 VanDerWaalsContact CB-CE2 3.42Å; H211-Y214 HydrophobicContact CB-CG 4.4Å; H211-Y214 AromaticContact CD2-CE2 3.94Å; H211-Y214 AromaticContact CD2-CZ 3.95Å; H211-Y214 PolarHBondContact CD2-OH 3.04Å; H211-Y214 PolarHBondContact CE1-OH 3.35Å; H211-Y214 AromaticContact CG-CE2 3.67Å; H211-Y214 AromaticContact CG-CZ 3.42Å; H211-Y214 VanDerWaalsContact CG-CZ 3.42Å; H211-Y214 AromaticContact ND1-CZ 3.76Å; H211-Y214 PolarHBondContact ND1-OH 3.36Å; H211-Y214 PolarHBondContact O-N 3.01Å; Y214-F216 PolarHBondContact O-N 3.07Å; Y214-F252 HydrophobicContact CD1-CD2 4.36Å; Y214-F252 HydrophobicContact CD1-CE2 4.16Å; Y214-F252 HydrophobicContact CE1-CD2 4.07Å; Y214-F252 HydrophobicContact CE1-CE2 4.13Å; Y214-H257 AromaticContact CE1-NE2 3.74Å; Y214-H257 AromaticContact CE2-NE2 3.77Å; Y214-H257 AromaticContact CZ-NE2 3.48Å; Y214-L261 VanDerWaalsContact CB-CD2 3.46Å; Y214-L261 HydrophobicContact CD1-CD2 4.21Å; Y214-L261 HydrophobicContact CG-CD2 3.98Å; Y214-V267 HydrophobicContact CD2-CG1 4.38Å; Y214-H269 HydrophobicContact CE2-CB 3.69Å; Y214-H269 PolarHBondContact OH-ND1 3.46Å
215T94.4Very high95.1Very high15 Ų1538.9 Ų38.99%0.09218%0.184CC..BIsolated β-bridgetrans-69.6128.2-175.1-68.70000111.9A210 H211 L217 Y220 V267 V268A210-T215 HydrophobicContact CB-CG2 3.77Å; H211-T215 WeakPolarHBondContact CB-OG1 3.44Å; H211-T215 PolarHBondContact N-OG1 2.88Å; H211-T215 VanDerWaalsContact O-CB 3.32Å; H211-T215 WeakPolarHBondContact O-CB 3.39Å; H211-T215 PolarHBondContact O-N 2.94Å; H211-T215 PolarHBondContact O-OG1 2.75Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 HydrophobicContact CG2-CD2 4.34Å; T215-L217 PolarHBondContact O-N 2.92Å; T215-Y220 HydrophobicContact CG2-CD2 4.26Å; T215-Y220 HydrophobicContact CG2-CG 4.03Å; T215-V267 CarbonylContact C-O 3.54Å; T215-V267 WeakPolarHBondContact CA-O 3.27Å; T215-V268 HydrophobicContact CG2-CG2 4.49Å
216F93.8Very high95.1Very high48 Ų4836.1 Ų36.121%0.21117%0.169CC..  trans-74.487171.2-173.9-144000110.4A194 Y214 N218 V219 Y220 K266 V267 V268A194-F216 HydrophobicContact CB-CD1 4.11Å; Y214-F216 PolarHBondContact O-N 3.07Å; F216-N218 HydrophobicContact CE2-CB 4Å; F216-N218 HydrophobicContact CZ-CB 3.98Å; F216-N218 PolarHBondContact O-N 3.09Å; F216-N218 VanDerWaalsContact O-N 3.09Å; F216-V219 HydrophobicContact CD1-CB 4.15Å; F216-V219 HydrophobicContact CD1-CG2 3.31Å; F216-V219 HydrophobicContact CE1-CG2 3.4Å; F216-V219 HydrophobicContact CG-CG2 4.29Å; F216-V219 HydrophobicContact CZ-CG2 4.42Å; F216-V219 PolarHBondContact O-N 2.63Å; F216-Y220 PolarHBondContact O-N 3.15Å; F216-K266 HydrophobicContact CB-CB 3.89Å; F216-K266 HydrophobicContact CD1-CB 3.54Å; F216-K266 HydrophobicContact CD1-CD 3.61Å; F216-K266 HydrophobicContact CD1-CG 4.13Å; F216-K266 HydrophobicContact CD2-CB 4.44Å; F216-K266 HydrophobicContact CD2-CD 3.97Å; F216-K266 HydrophobicContact CD2-CG 4.44Å; F216-K266 HydrophobicContact CE1-CB 4.19Å; F216-K266 HydrophobicContact CE1-CD 3.41Å; F216-K266 VanDerWaalsContact CE1-CD 3.41Å; F216-K266 HydrophobicContact CE1-CG 4.4Å; F216-K266 HydrophobicContact CE2-CD 3.8Å; F216-K266 HydrophobicContact CG-CB 3.72Å; F216-K266 HydrophobicContact CG-CD 3.93Å; F216-K266 HydrophobicContact CG-CG 4.19Å; F216-K266 HydrophobicContact CZ-CD 3.54Å; F216-V267 PolarHBondContact N-O 3.41Å; F216-V268 HydrophobicContact CB-CG2 4.46Å
217L93.9Very high95.1Very high51 Ų5135.7 Ų35.727%0.26717%0.166SC..Hα-helixtrans-53.9-34-169.9-73178.2000114.9A210 T215 V219 Y220 R221 M248A210-L217 HydrophobicContact CB-CD2 3.64Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 HydrophobicContact CG2-CD2 4.34Å; T215-L217 PolarHBondContact O-N 2.92Å; L217-V219 PolarHBondContact O-N 3.46Å; L217-Y220 PolarHBondContact O-N 3.43Å; L217-R221 WeakPolarHBondContact O-CB 3.39Å; L217-R221 VanDerWaalsContact O-CG 3.3Å; L217-R221 WeakPolarHBondContact O-CG 3.31Å; L217-R221 PolarHBondContact O-N 3.41Å; L217-M248 HydrophobicContact CD1-CE 4.09Å; L217-M248 HydrophobicContact CD1-SD 4.27Å; L217-M248 HydrophobicContact CD2-CE 3.95Å; L217-M248 HydrophobicContact CD2-SD 4.27Å; L217-M248 HydrophobicContact CG-CE 4.37Å
218N91.1Very high95Very high77 Ų7736 Ų3641%0.41218%0.176SC..Hα-helixtrans-60.7-29.4179.5-71.2-6.6000112.6F216F216-N218 HydrophobicContact CE2-CB 4Å; F216-N218 HydrophobicContact CZ-CB 3.98Å; F216-N218 PolarHBondContact O-N 3.09Å; F216-N218 VanDerWaalsContact O-N 3.09Å
219V92.4Very high94.8Very high3 Ų336.8 Ų36.82%0.01818%0.18CC..Hα-helixtrans-90.7-43.4178.6-178.40000110.3A194 V196 F216 L217 R221 I222 V268 F304 Y308A194-V219 HydrophobicContact CB-CB 4.43Å; A194-V219 HydrophobicContact CB-CG1 4.25Å; A194-V219 HydrophobicContact CB-CG2 3.9Å; V196-V219 HydrophobicContact CG2-CG1 4.23Å; F216-V219 HydrophobicContact CD1-CB 4.15Å; F216-V219 HydrophobicContact CD1-CG2 3.31Å; F216-V219 HydrophobicContact CE1-CG2 3.4Å; F216-V219 HydrophobicContact CG-CG2 4.29Å; F216-V219 HydrophobicContact CZ-CG2 4.42Å; F216-V219 PolarHBondContact O-N 2.63Å; L217-V219 PolarHBondContact O-N 3.46Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 3.24Å; V219-I222 WeakPolarHBondContact O-CB 3.39Å; V219-I222 WeakPolarHBondContact O-CG1 3.39Å; V219-I222 PolarHBondContact O-N 2.92Å; V219-V268 HydrophobicContact CB-CG2 3.79Å; V219-V268 HydrophobicContact CG1-CG2 3.91Å; V219-F304 HydrophobicContact CG1-CE2 3.93Å; V219-F304 HydrophobicContact CG1-CZ 3.65Å; V219-Y308 HydrophobicContact CB-CE2 4.39Å; V219-Y308 HydrophobicContact CG1-CD2 4.23Å; V219-Y308 HydrophobicContact CG1-CE2 4Å; V219-Y308 HydrophobicContact CG2-CE2 3.65Å
220Y95.8Very high94.8Very high3 Ų334.7 Ų34.71%0.01217%0.171CC..Hα-helixtrans-55.6-43.5178.4178.4-91.2000112.5F208 F209 A210 T215 F216 L217 I222 L223 P224 H245 V268 L270F208-Y220 PolarHBondContact O-OH 3.46Å; F209-Y220 VanDerWaalsContact CA-OH 3.22Å; F209-Y220 WeakPolarHBondContact CA-OH 3.34Å; A210-Y220 HydrophobicContact CB-CD1 3.67Å; A210-Y220 HydrophobicContact CB-CD2 4.25Å; A210-Y220 HydrophobicContact CB-CE1 3.76Å; A210-Y220 HydrophobicContact CB-CE2 4.32Å; A210-Y220 HydrophobicContact CB-CG 3.92Å; A210-Y220 VanDerWaalsContact N-CZ 3.29Å; A210-Y220 PolarHBondContact N-OH 2.75Å; T215-Y220 HydrophobicContact CG2-CD2 4.26Å; T215-Y220 HydrophobicContact CG2-CG 4.03Å; F216-Y220 PolarHBondContact O-N 3.15Å; L217-Y220 PolarHBondContact O-N 3.43Å; Y220-I222 PolarHBondContact O-N 2.65Å; Y220-L223 HydrophobicContact CD2-CD1 4.25Å; Y220-L223 WeakPolarHBondContact O-CB 3.15Å; Y220-L223 PolarHBondContact O-N 2.84Å; Y220-P224 WeakPolarHBondContact O-CD 3.16Å; Y220-H245 VanDerWaalsContact CE1-O 3.23Å; Y220-H245 WeakPolarHBondContact CE1-O 3.46Å; Y220-H245 PolarHBondContact OH-N 3.38Å; Y220-H245 PolarHBondContact OH-O 3.33Å; Y220-V268 HydrophobicContact CD2-CG1 3.82Å; Y220-V268 HydrophobicContact CG-CG1 4.48Å; Y220-L270 HydrophobicContact CD2-CD2 4.13Å; Y220-L270 HydrophobicContact CE2-CD2 4.1Å
221R95.2Very high94.7Very high131 Ų13138.5 Ų38.549%0.49419%0.187SC..THydrogen-bonded Turntrans-59-21.1-177.8-75.8175.1177.8173.6-0.9114.7L217 V219 L223 P224 E225L217-R221 WeakPolarHBondContact O-CB 3.39Å; L217-R221 VanDerWaalsContact O-CG 3.3Å; L217-R221 WeakPolarHBondContact O-CG 3.31Å; L217-R221 PolarHBondContact O-N 3.41Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 3.24Å; R221-L223 PolarHBondContact O-N 2.95Å; R221-P224 WeakPolarHBondContact O-CD 3.25Å; R221-P224 WeakPolarHBondContact O-CG 3.46Å; R221-E225 VanDerWaalsContact O-CG 3.29Å; R221-E225 WeakPolarHBondContact O-CG 3.41Å; R221-E225 PolarHBondContact O-N 3.21Å
222I95.1Very high94.8Very high3 Ų345.7 Ų45.72%0.01522%0.222CC..Hα-helixtrans-65.9-31.9176.1-54.1166.2000110.6P5 V219 Y220 T226 F304 R307 Y308P5-I222 HydrophobicContact CB-CD1 3.56Å; P5-I222 HydrophobicContact CB-CG1 3.83Å; P5-I222 HydrophobicContact CG-CD1 3.78Å; P5-I222 HydrophobicContact CG-CG1 3.69Å; V219-I222 WeakPolarHBondContact O-CB 3.39Å; V219-I222 WeakPolarHBondContact O-CG1 3.39Å; V219-I222 PolarHBondContact O-N 2.92Å; Y220-I222 PolarHBondContact O-N 2.65Å; I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.41Å; I222-T226 PolarHBondContact O-OG1 3.21Å; I222-F304 HydrophobicContact CB-CD2 3.69Å; I222-F304 HydrophobicContact CB-CE2 3.82Å; I222-F304 HydrophobicContact CD1-CE2 4.09Å; I222-F304 HydrophobicContact CG2-CD2 3.57Å; I222-F304 HydrophobicContact CG2-CE2 4.12Å; I222-R307 HydrophobicContact CG2-CB 4.2Å; I222-Y308 HydrophobicContact CD1-CD2 3.69Å; I222-Y308 HydrophobicContact CD1-CE2 4.37Å
223L97.4Very high94.9Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-66.4-56.4-177.5-66.9159.3000113.2Y220 R221 E225 T226 E227 F244 V268 L270 I300 F301 F304Y220-L223 HydrophobicContact CD2-CD1 4.25Å; Y220-L223 WeakPolarHBondContact O-CB 3.15Å; Y220-L223 PolarHBondContact O-N 2.84Å; R221-L223 PolarHBondContact O-N 2.95Å; L223-E225 VanDerWaalsContact C-N 3.31Å; L223-E225 PolarHBondContact O-N 3.16Å; L223-T226 PolarHBondContact O-N 2.89Å; L223-T226 VanDerWaalsContact O-N 3.13Å; L223-E227 PolarHBondContact O-N 3.24Å; L223-F244 HydrophobicContact CB-CB 4.24Å; L223-F244 HydrophobicContact CB-CD1 3.65Å; L223-F244 HydrophobicContact CB-CD2 4.44Å; L223-F244 HydrophobicContact CB-CE1 4.09Å; L223-F244 HydrophobicContact CB-CG 3.85Å; L223-F244 HydrophobicContact CD1-CD1 4.03Å; L223-F244 HydrophobicContact CD1-CE1 3.94Å; L223-F244 HydrophobicContact CD2-CD1 4.45Å; L223-F244 HydrophobicContact CD2-CE1 4.02Å; L223-F244 HydrophobicContact CD2-CZ 4.15Å; L223-F244 HydrophobicContact CG-CD1 4.26Å; L223-F244 HydrophobicContact CG-CE1 4.25Å; L223-V268 HydrophobicContact CD1-CG1 4.45Å; L223-L270 HydrophobicContact CD1-CD1 3.73Å; L223-L270 HydrophobicContact CD1-CD2 3.59Å; L223-L270 HydrophobicContact CD1-CG 4.29Å; L223-I300 HydrophobicContact CD2-CG2 4.27Å; L223-F301 HydrophobicContact CD2-CD1 4.24Å; L223-F301 HydrophobicContact CD2-CE1 3.97Å; L223-F304 HydrophobicContact CD2-CB 4.02Å; L223-F304 HydrophobicContact CD2-CD1 4.37Å; L223-F304 HydrophobicContact CD2-CD2 3.66Å; L223-F304 HydrophobicContact CD2-CE2 4.24Å; L223-F304 HydrophobicContact CD2-CG 3.75Å; L223-F304 HydrophobicContact CG-CD2 3.79Å; L223-F304 HydrophobicContact CG-CE2 4.05Å; L223-F304 HydrophobicContact CG-CG 4.39Å
224P97.3Very high95Very high9 Ų946.9 Ų46.96%0.05823%0.226CC..Hα-helixtrans-63.3-36177.424.9-33.7000112.3Y220 R221 T226 E227 A228 F244 N246Y220-P224 WeakPolarHBondContact O-CD 3.16Å; R221-P224 WeakPolarHBondContact O-CD 3.25Å; R221-P224 WeakPolarHBondContact O-CG 3.46Å; P224-T226 VanDerWaalsContact C-N 3.34Å; P224-T226 PolarHBondContact O-N 3.06Å; P224-E227 PolarHBondContact O-N 3.42Å; P224-A228 WeakPolarHBondContact O-CB 3.26Å; P224-A228 PolarHBondContact O-N 3.35Å; P224-F244 HydrophobicContact CB-CB 4.12Å; P224-N246 WeakPolarHBondContact CG-OD1 3.41Å
225E95.5Very high95Very high90 Ų9049.5 Ų49.542%0.42126%0.259SS..Hα-helixtrans-62.2-41.8173.2-72.5174.6-161.300112.1R221 L223 Q229 R307R221-E225 VanDerWaalsContact O-CG 3.29Å; R221-E225 WeakPolarHBondContact O-CG 3.41Å; R221-E225 PolarHBondContact O-N 3.21Å; L223-E225 VanDerWaalsContact C-N 3.31Å; L223-E225 PolarHBondContact O-N 3.16Å; E225-Q229 WeakPolarHBondContact O-CB 3.31Å; E225-Q229 PolarHBondContact O-N 3.13Å; E225-R307 IonicContact OE2-CZ 2.68Å; E225-R307 IonicContact OE2-NH2 3.08Å; E225-R307 PolarHBondContact OE2-NH2 3.47Å
226T96.4Very high95.1Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-67.8-44.2179.2-64.30000111.2I222 L223 P224 Q229 L230 I300 V303 R307I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.41Å; I222-T226 PolarHBondContact O-OG1 3.21Å; L223-T226 PolarHBondContact O-N 2.89Å; L223-T226 VanDerWaalsContact O-N 3.13Å; P224-T226 VanDerWaalsContact C-N 3.34Å; P224-T226 PolarHBondContact O-N 3.06Å; T226-Q229 PolarHBondContact O-N 3.08Å; T226-L230 HydrophobicContact CG2-CD1 3.79Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 3.48Å; T226-L230 WeakPolarHBondContact O-CG 3.27Å; T226-L230 PolarHBondContact O-N 3.12Å; T226-I300 HydrophobicContact CG2-CG2 4.21Å; T226-V303 HydrophobicContact CG2-CB 3.65Å; T226-V303 HydrophobicContact CG2-CG1 3.54Å; T226-R307 WeakPolarHBondContact OG1-CD 3.19Å; T226-R307 PolarHBondContact OG1-NH1 3.34Å
227E97.6Very high95.2Very high2 Ų248.2 Ų48.21%0.00926%0.255CS..Hα-helixtrans-59.6-48.4174.8-177.9179.1-17300111L223 P224 Q229 L230 K231 T242 M243 F244 I300L223-E227 PolarHBondContact O-N 3.24Å; P224-E227 PolarHBondContact O-N 3.42Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; E227-Q229 PolarHBondContact O-N 3.32Å; E227-L230 PolarHBondContact O-N 3.03Å; E227-K231 HydrophobicContact CG-CD 4.35Å; E227-K231 WeakPolarHBondContact O-CG 3.43Å; E227-K231 PolarHBondContact O-N 2.71Å; E227-K231 WeakPolarHBondContact OE1-CE 3.46Å; E227-K231 IonicContact OE1-NZ 3.44Å; E227-K231 PolarHBondContact OE1-NZ 3.4Å; E227-T242 VanDerWaalsContact OE1-CA 3.27Å; E227-T242 WeakPolarHBondContact OE1-CA 3.42Å; E227-M243 PolarHBondContact OE1-N 3.28Å; E227-M243 PolarHBondContact OE2-N 3.35Å; E227-M243 VanDerWaalsContact OE2-N 3.07Å; E227-F244 HydrophobicContact CB-CD2 4.35Å; E227-F244 WeakPolarHBondContact OE2-CD2 3.42Å; E227-F244 PolarHBondContact OE2-N 3.11Å; E227-I300 HydrophobicContact CB-CD1 4.06Å; E227-I300 HydrophobicContact CG-CD1 3.95Å
228A96.3Very high95.4Very high56 Ų5649.6 Ų49.646%0.46326%0.26SS..Hα-helixtrans-59.4-43.9179.300000111.9P224 K231 M232P224-A228 WeakPolarHBondContact O-CB 3.26Å; P224-A228 PolarHBondContact O-N 3.35Å; A228-K231 PolarHBondContact O-N 3.07Å; A228-M232 PolarHBondContact O-N 2.9Å
229Q95.3Very high95.6Very high17 Ų1755.6 Ų55.68%0.07929%0.285CS..Hα-helixtrans-66.5-42.7179.1-168.617319.300112.5F8 I13 E225 T226 E227 K231 M232F8-Q229 PolarHBondContact O-NE2 3.33Å; I13-Q229 HydrophobicContact CD1-CG 4.31Å; I13-Q229 HydrophobicContact CG1-CG 4.02Å; E225-Q229 WeakPolarHBondContact O-CB 3.31Å; E225-Q229 PolarHBondContact O-N 3.13Å; T226-Q229 PolarHBondContact O-N 3.08Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; E227-Q229 PolarHBondContact O-N 3.32Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.37Å; Q229-M232 HydrophobicContact CB-CE 4.38Å; Q229-M232 HydrophobicContact CG-CE 4.16Å; Q229-M232 WeakPolarHBondContact O-CB 3.03Å; Q229-M232 PolarHBondContact O-N 3.31Å; Q229-M232 VanDerWaalsContact O-N 3.17Å
230L96.8Very high95.7Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-64.2-35176.9-80.4166000112.5I13 C17 T226 E227 M232 V233 C236 L237 T299 I300 V303I13-L230 HydrophobicContact CG2-CD2 3.63Å; I13-L230 HydrophobicContact CG2-CG 4.25Å; C17-L230 HydrophobicContact CB-CD2 4.16Å; T226-L230 HydrophobicContact CG2-CD1 3.79Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 3.48Å; T226-L230 WeakPolarHBondContact O-CG 3.27Å; T226-L230 PolarHBondContact O-N 3.12Å; E227-L230 PolarHBondContact O-N 3.03Å; L230-M232 PolarHBondContact O-N 2.78Å; L230-V233 PolarHBondContact O-N 3.34Å; L230-V233 VanDerWaalsContact O-N 3.14Å; L230-C236 HydrophobicContact CD2-CB 4.04Å; L230-L237 HydrophobicContact CB-CD1 3.55Å; L230-L237 HydrophobicContact CB-CD2 4.44Å; L230-L237 HydrophobicContact CB-CG 3.87Å; L230-L237 HydrophobicContact CD1-CD2 4.41Å; L230-T299 HydrophobicContact CD1-CG2 4.16Å; L230-T299 HydrophobicContact CD2-CG2 4.14Å; L230-I300 HydrophobicContact CD1-CB 4.44Å; L230-I300 HydrophobicContact CD1-CG1 3.81Å; L230-V303 HydrophobicContact CD1-CB 4.21Å; L230-V303 HydrophobicContact CD1-CG2 4.07Å; L230-V303 HydrophobicContact CD2-CG2 4.14Å; L230-V303 HydrophobicContact CG-CG2 4.47Å
231K96.1Very high95.7Very high81 Ų8162.5 Ų62.535%0.35232%0.321SS..Hα-helixtrans-64.2-24.6175-74.9-175.9-177.5-175.40113.5E227 A228 Q229 V233 L237 M240 L241 T242E227-K231 HydrophobicContact CG-CD 4.35Å; E227-K231 WeakPolarHBondContact O-CG 3.43Å; E227-K231 PolarHBondContact O-N 2.71Å; E227-K231 WeakPolarHBondContact OE1-CE 3.46Å; E227-K231 IonicContact OE1-NZ 3.44Å; E227-K231 PolarHBondContact OE1-NZ 3.4Å; A228-K231 PolarHBondContact O-N 3.07Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.37Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-L237 HydrophobicContact CG-CD1 3.92Å; K231-M240 PolarHBondContact NZ-O 2.99Å; K231-L241 PolarHBondContact NZ-O 3.49Å; K231-T242 PolarHBondContact NZ-OG1 2.9Å; K231-T242 VanDerWaalsContact NZ-OG1 3.15Å
232M94.6Very high95.9Very high152 Ų15259.4 Ų59.475%0.74932%0.317SS*.Hα-helixtrans-77.2-18.8175.8-63-169.6-69.200113A228 Q229 L230A228-M232 PolarHBondContact O-N 2.9Å; Q229-M232 HydrophobicContact CB-CE 4.38Å; Q229-M232 HydrophobicContact CG-CE 4.16Å; Q229-M232 WeakPolarHBondContact O-CB 3.03Å; Q229-M232 PolarHBondContact O-N 3.31Å; Q229-M232 VanDerWaalsContact O-N 3.17Å; L230-M232 PolarHBondContact O-N 2.78Å
233V94.6Very high96Very high16 Ų1659.4 Ų59.410%0.09732%0.316CS..SBendtrans-94.1112.6179.7-174.90000109.4T10 I13 E14 L230 K231 G235 C236T10-V233 HydrophobicContact CG2-CG2 4.17Å; I13-V233 HydrophobicContact CG2-CG2 3.87Å; E14-V233 HydrophobicContact CG-CG1 3.44Å; E14-V233 VanDerWaalsContact CG-CG1 3.44Å; E14-V233 HydrophobicContact CG-CG2 4.49Å; L230-V233 PolarHBondContact O-N 3.34Å; L230-V233 VanDerWaalsContact O-N 3.14Å; K231-V233 VanDerWaalsContact C-N 3.32Å; V233-G235 PolarHBondContact O-N 2.96Å; V233-C236 HydrophobicContact CB-CB 4.15Å; V233-C236 HydrophobicContact CG1-CB 4.33Å; V233-C236 WeakPolarHBondContact CG1-SG 3.31Å; V233-C236 WeakPolarHBondContact O-CB 3.47Å; V233-C236 PolarHBondContact O-N 3.41Å
234K92.6Very high96.1Very high210 Ų21059.5 Ų59.591%0.91332%0.317SS*.THydrogen-bonded Turntrans-58.8129.2-176.9-173.6179.9178.9-177.70110.7C236K234-C236 VanDerWaalsContact C-N 3.32Å
235G93.3Very high96.1Very high76 Ų7660.8 Ų60.878%0.78432%0.322SS*.THydrogen-bonded Turntrans85.4-3.7177.300000115V233V233-G235 PolarHBondContact O-N 2.96Å
236C95.5Very high96.1Very high12 Ų1262.2 Ų62.28%0.08133%0.333CS..SBendtrans-79-34.3-179.4-80.50000115.2C17 L230 V233 K234C17-C236 HydrophobicContact CB-CB 3.93Å; C17-C236 WeakPolarHBondContact CB-SG 3.36Å; C17-C236 WeakPolarHBondContact SG-CA 3.39Å; C17-C236 WeakPolarHBondContact SG-CB 2.91Å; C17-C236 CovalentContact SG-SG 2.03Å; C17-C236 PolarHBondContact SG-SG 2.69Å; L230-C236 HydrophobicContact CD2-CB 4.04Å; V233-C236 HydrophobicContact CB-CB 4.15Å; V233-C236 HydrophobicContact CG1-CB 4.33Å; V233-C236 WeakPolarHBondContact CG1-SG 3.31Å; V233-C236 WeakPolarHBondContact O-CB 3.47Å; V233-C236 PolarHBondContact O-N 3.41Å; K234-C236 VanDerWaalsContact C-N 3.32Å
237L97.2Very high96Very high23 Ų2367.8 Ų67.812%0.1236%0.359CS..SBendtrans-126.5145.5175.7-61.8178.6000109.5L230 K231 N296 T299 I300L230-L237 HydrophobicContact CB-CD1 3.55Å; L230-L237 HydrophobicContact CB-CD2 4.44Å; L230-L237 HydrophobicContact CB-CG 3.87Å; L230-L237 HydrophobicContact CD1-CD2 4.41Å; K231-L237 HydrophobicContact CG-CD1 3.92Å; L237-N296 VanDerWaalsContact CA-OD1 3.3Å; L237-N296 WeakPolarHBondContact CA-OD1 3.24Å; L237-N296 WeakPolarHBondContact CB-OD1 3.28Å; L237-N296 HydrophobicContact CD2-CB 3.98Å; L237-T299 HydrophobicContact CD2-CG2 4.04Å; L237-I300 HydrophobicContact CD1-CD1 4.37Å; L237-I300 HydrophobicContact CD1-CG1 4.42Å; L237-I300 HydrophobicContact CD2-CG1 4.28Å
238H97.3Very high95.9Very high81 Ų8171.5 Ų71.538%0.37538%0.377SS..  trans-57.9139162.5-64.9-79.8000109.5M240 P292 E295 N296H238-M240 HydrophobicContact CB-CG 4.23Å; H238-M240 PolarHBondContact O-N 3.45Å; H238-P292 HydrophobicContact CB-CB 3.91Å; H238-P292 PolarHBondContact CD2-O 3.42Å; H238-E295 IonicContact CD2-OE2 3.49Å; H238-E295 IonicContact CE1-OE2 3.57Å; H238-E295 IonicContact NE2-OE2 2.73Å; H238-E295 PolarHBondContact NE2-OE2 3.09Å; H238-N296 PolarHBondContact CD2-OD1 2.95Å; H238-N296 PolarHBondContact N-OD1 3.05Å; H238-N296 PolarHBondContact O-ND2 3.44Å
239Q95.5Very high95.9Very high203 Ų20370.1 Ų70.195%0.94936%0.363SS*.SBendtrans-65.7106.6179.1-71.4-174.47.700110.3
240M94.5Very high95.7Very high34 Ų3476.7 Ų76.717%0.16739%0.387CS..  trans-146.1162.3-175-62.9-158.766.700111.6R204 N205 K231 H238 P292 T293R204-M240 HydrophobicContact CG-CE 4.2Å; N205-M240 WeakPolarHBondContact OD1-CE 3.22Å; K231-M240 PolarHBondContact NZ-O 2.99Å; H238-M240 HydrophobicContact CB-CG 4.23Å; H238-M240 PolarHBondContact O-N 3.45Å; M240-P292 HydrophobicContact SD-CB 4.13Å; M240-T293 WeakPolarHBondContact CE-OG1 3.21Å; M240-T293 PolarHBondContact SD-OG1 3.13Å; M240-T293 VanDerWaalsContact SD-OG1 3.39Å
241L96.5Very high95.3Very high116 Ų11676.8 Ų76.861%0.60739%0.388SS*.  trans-58.7157.6172.4-62.3179.8000111.4N205 K231 M243N205-L241 HydrophobicContact CB-CD1 4.49Å; K231-L241 PolarHBondContact NZ-O 3.49Å; L241-M243 PolarHBondContact O-N 2.84Å
242T97.9Very high94.9Very high67 Ų6775.3 Ų75.341%0.41138%0.381SS..  trans-65.5127175.2-62.70000111E227 K231 F244 H245E227-T242 VanDerWaalsContact OE1-CA 3.27Å; E227-T242 WeakPolarHBondContact OE1-CA 3.42Å; K231-T242 PolarHBondContact NZ-OG1 2.9Å; K231-T242 VanDerWaalsContact NZ-OG1 3.15Å; T242-F244 WeakPolarHBondContact CG2-O 3.39Å; T242-H245 PolarHBondContact O-NE2 3.26Å
243M98.4Very high94.5Very high2 Ų268.1 Ų68.11%0.0135%0.346CS..  trans-95.1-38.7-178.4-64.4-178.6-71.900112P206 N207 F208 E227 L241 T293 N296 L297 I300P206-M243 HydrophobicContact CG-CG 4.04Å; P206-M243 HydrophobicContact CG-SD 3.82Å; P206-M243 WeakPolarHBondContact O-CA 3.37Å; N207-M243 CarbonylContact C-O 3.57Å; N207-M243 WeakPolarHBondContact CA-O 3.45Å; F208-M243 HydrophobicContact CD2-CB 4.26Å; F208-M243 HydrophobicContact CE2-CB 4.46Å; F208-M243 PolarHBondContact N-O 3.42Å; E227-M243 PolarHBondContact OE1-N 3.28Å; E227-M243 PolarHBondContact OE2-N 3.35Å; E227-M243 VanDerWaalsContact OE2-N 3.07Å; L241-M243 PolarHBondContact O-N 2.84Å; M243-T293 HydrophobicContact SD-CG2 3.93Å; M243-N296 HydrophobicContact CE-CB 3.81Å; M243-L297 HydrophobicContact CE-CD2 4.05Å; M243-L297 HydrophobicContact CE-CG 4.35Å; M243-L297 HydrophobicContact SD-CD2 3.82Å; M243-L297 HydrophobicContact SD-CG 4.05Å; M243-I300 HydrophobicContact CE-CD1 3.43Å; M243-I300 VanDerWaalsContact CE-CD1 3.43Å
244F98.5Very high94.2Very high2 Ų270.4 Ų70.41%0.00936%0.356CS..EExtended strand (participates in β ladder)trans-102.8118.7-178.2-62.1-84.5000110.9F208 L223 P224 E227 T242 L270 L297 I300 F301F208-F244 HydrophobicContact CB-CD1 3.72Å; F208-F244 HydrophobicContact CB-CE1 4Å; F208-F244 AromaticContact CD2-CD1 3.94Å; F208-F244 HydrophobicContact CD2-CD1 3.94Å; F208-F244 AromaticContact CD2-CE1 3.63Å; F208-F244 HydrophobicContact CD2-CE1 3.63Å; F208-F244 HydrophobicContact CD2-CE2 4.45Å; F208-F244 HydrophobicContact CD2-CG 4.48Å; F208-F244 AromaticContact CD2-CZ 3.92Å; F208-F244 HydrophobicContact CD2-CZ 3.92Å; F208-F244 HydrophobicContact CE2-CE1 4.33Å; F208-F244 HydrophobicContact CE2-CZ 4.25Å; F208-F244 HydrophobicContact CG-CD1 4.09Å; F208-F244 AromaticContact CG-CE1 3.89Å; F208-F244 HydrophobicContact CG-CE1 3.89Å; L223-F244 HydrophobicContact CB-CB 4.24Å; L223-F244 HydrophobicContact CB-CD1 3.65Å; L223-F244 HydrophobicContact CB-CD2 4.44Å; L223-F244 HydrophobicContact CB-CE1 4.09Å; L223-F244 HydrophobicContact CB-CG 3.85Å; L223-F244 HydrophobicContact CD1-CD1 4.03Å; L223-F244 HydrophobicContact CD1-CE1 3.94Å; L223-F244 HydrophobicContact CD2-CD1 4.45Å; L223-F244 HydrophobicContact CD2-CE1 4.02Å; L223-F244 HydrophobicContact CD2-CZ 4.15Å; L223-F244 HydrophobicContact CG-CD1 4.26Å; L223-F244 HydrophobicContact CG-CE1 4.25Å; P224-F244 HydrophobicContact CB-CB 4.12Å; E227-F244 HydrophobicContact CB-CD2 4.35Å; E227-F244 WeakPolarHBondContact OE2-CD2 3.42Å; E227-F244 PolarHBondContact OE2-N 3.11Å; T242-F244 WeakPolarHBondContact CG2-O 3.39Å; F244-L270 HydrophobicContact CE1-CD1 4.39Å; F244-L270 HydrophobicContact CE1-CD2 4.26Å; F244-L297 HydrophobicContact CE2-CD2 4.06Å; F244-L297 HydrophobicContact CZ-CD2 3.97Å; F244-I300 HydrophobicContact CD2-CD1 4.35Å; F244-I300 HydrophobicContact CD2-CG2 4.26Å; F244-I300 HydrophobicContact CE2-CB 4.42Å; F244-I300 HydrophobicContact CE2-CD1 3.97Å; F244-I300 HydrophobicContact CE2-CG2 3.7Å; F244-I300 HydrophobicContact CZ-CG2 4.32Å; F244-F301 HydrophobicContact CZ-CE1 4.41Å; F244-F301 HydrophobicContact CZ-CZ 4.03Å
245H98Very high93.9Very high36 Ų3660.8 Ų60.817%0.16731%0.314CS..EExtended strand (participates in β ladder)trans-103.9142-172.8-69.9-77.6000111.8N207 F208 F209 Y220 T242 Q247N207-H245 PolarHBondContact OD1-NE2 2.87Å; F208-H245 WeakPolarHBondContact O-CB 3.33Å; F208-H245 PolarHBondContact O-N 3.35Å; F209-H245 HydrophobicContact CD1-CB 3.52Å; F209-H245 HydrophobicContact CE1-CB 3.45Å; F209-H245 VanDerWaalsContact CE1-CB 3.45Å; F209-H245 AromaticContact CE1-CD2 3.72Å; F209-H245 AromaticContact CE1-CG 3.57Å; F209-H245 HydrophobicContact CG-CB 4.44Å; F209-H245 HydrophobicContact CZ-CB 4.34Å; F209-H245 AromaticContact CZ-CD2 3.73Å; Y220-H245 VanDerWaalsContact CE1-O 3.23Å; Y220-H245 WeakPolarHBondContact CE1-O 3.46Å; Y220-H245 PolarHBondContact OH-N 3.38Å; Y220-H245 PolarHBondContact OH-O 3.33Å; T242-H245 PolarHBondContact O-NE2 3.26Å; H245-Q247 PolarHBondContact O-N 3.26Å
246N95.8Very high93.1Very high121 Ų12157.8 Ų57.865%0.64728%0.28SS*.EExtended strand (participates in β ladder)trans-74.5-17.5174.8-76.4-50.2000112.6P224P224-N246 WeakPolarHBondContact CG-OD1 3.41Å
247Q94.7Very high92.5Very high117 Ų11757.2 Ų57.255%0.54728%0.276SS..EExtended strand (participates in β ladder)trans-66.5148.8175.9-63.682.9-13.100110.7F209 H245F209-Q247 HydrophobicContact CD1-CB 4.15Å; F209-Q247 HydrophobicContact CE1-CB 4.36Å; H245-Q247 PolarHBondContact O-N 3.26Å
248M95.7Very high91.9Very high80 Ų8057.1 Ų57.139%0.39428%0.276SS..EExtended strand (participates in β ladder)trans-102.5140.4174.5-61.3176.775.300110.2A210 H212 L217A210-M248 HydrophobicContact CB-CG 4.02Å; A210-M248 CarbonylContact O-C 3.49Å; A210-M248 WeakPolarHBondContact O-CA 3.24Å; A210-M248 WeakPolarHBondContact O-CB 3.32Å; H212-M248 VanDerWaalsContact CA-CE 3.48Å; H212-M248 HydrophobicContact CB-CE 4.05Å; L217-M248 HydrophobicContact CD1-CE 4.09Å; L217-M248 HydrophobicContact CD1-SD 4.27Å; L217-M248 HydrophobicContact CD2-CE 3.95Å; L217-M248 HydrophobicContact CD2-SD 4.27Å; L217-M248 HydrophobicContact CG-CE 4.37Å
249T94.3Very high91Very high26 Ų2653.6 Ų53.616%0.1626%0.26CS..EExtended strand (participates in β ladder)trans-95.3151.1171.8-174.70000110.8F209 A210 H211 H212 A251 L273F209-T249 HydrophobicContact CB-CG2 3.88Å; A210-T249 PolarHBondContact O-N 3.42Å; H211-T249 HydrophobicContact CB-CG2 4.49Å; H211-T249 WeakPolarHBondContact ND1-CG2 2.92Å; H212-T249 WeakPolarHBondContact CB-O 3.37Å; H212-T249 PolarHBondContact N-O 3.15Å; T249-A251 HydrophobicContact CG2-CB 4.32Å; T249-A251 WeakPolarHBondContact OG1-CB 3.48Å; T249-A251 PolarHBondContact OG1-N 3.46Å; T249-L273 HydrophobicContact CG2-CD1 3.77Å
250R92.5Very high90.2Very high155 Ų15544.9 Ų44.959%0.58522%0.219SC*.  trans-981.7167.8-67-176.7179.3169.10.3112.5Q213 F252Q213-R250 PolarHBondContact NE2-O 3.16Å; R250-F252 PolarHBondContact O-N 3.31Å
251A88Confident89.7Confident2 Ų246 Ų462%0.01723%0.225CC..  trans-59.9124.4172.900000109.1L159 H211 T249 L273L159-A251 HydrophobicContact CD2-CB 3.96Å; H211-A251 PolarHBondContact ND1-O 2.8Å; T249-A251 HydrophobicContact CG2-CB 4.32Å; T249-A251 WeakPolarHBondContact OG1-CB 3.48Å; T249-A251 PolarHBondContact OG1-N 3.46Å; A251-L273 HydrophobicContact CB-CD1 3.81Å
252F87Confident89Confident51 Ų5147.8 Ų47.822%0.22423%0.231CC..EExtended strand (participates in β ladder)trans-95.7128.8166.8-169.7-93.1000107.9I157 Y158 Q213 Y214 R250 E254 L258I157-F252 WeakPolarHBondContact CA-O 3.42Å; Y158-F252 HydrophobicContact CD2-CB 4.25Å; Y158-F252 AromaticContact CD2-CD1 3.9Å; Y158-F252 HydrophobicContact CD2-CD1 3.9Å; Y158-F252 HydrophobicContact CE2-CD1 4.37Å; Y158-F252 PolarHBondContact N-O 3.12Å; Y158-F252 PolarHBondContact O-N 3.1Å; Q213-F252 HydrophobicContact CB-CD2 4.38Å; Q213-F252 HydrophobicContact CG-CD2 4.18Å; Y214-F252 HydrophobicContact CD1-CD2 4.36Å; Y214-F252 HydrophobicContact CD1-CE2 4.16Å; Y214-F252 HydrophobicContact CE1-CD2 4.07Å; Y214-F252 HydrophobicContact CE1-CE2 4.13Å; R250-F252 PolarHBondContact O-N 3.31Å; F252-E254 HydrophobicContact CD1-CG 4.4Å; F252-E254 HydrophobicContact CE1-CG 4Å; F252-L258 HydrophobicContact CE1-CD2 4.39Å; F252-L258 HydrophobicContact CZ-CD2 3.79Å
253I86.9Confident88.1Confident0 Ų051.1 Ų51.10%024%0.236CC..EExtended strand (participates in β ladder)trans-125.3126.5-178.3-57.8174.6000106.7F155 H211 H257 I271 L273 F275F155-I253 HydrophobicContact CD1-CG2 3.94Å; F155-I253 HydrophobicContact CE1-CG2 4.02Å; H211-I253 VanDerWaalsContact CE1-CD1 3.47Å; H211-I253 WeakPolarHBondContact CE1-CD1 3.5Å; I253-H257 PolarHBondContact O-CE1 3.48Å; I253-H257 VanDerWaalsContact O-CE1 3.25Å; I253-I271 HydrophobicContact CD1-CG2 3.4Å; I253-I271 HydrophobicContact CG2-CD1 4.15Å; I253-L273 HydrophobicContact CD1-CD2 3.97Å; I253-L273 HydrophobicContact CD1-CG 4.46Å; I253-F275 HydrophobicContact CD1-CE1 3.94Å; I253-F275 HydrophobicContact CD1-CZ 4.21Å; I253-F275 HydrophobicContact CG2-CZ 4.08Å
254E87.1Confident87.4Confident65 Ų6554.1 Ų54.130%0.30427%0.267SS..  trans-81.7125.8172.2-61.3-175.3172.700109.4F155 A156 F252 L258F155-E254 WeakPolarHBondContact CD1-O 3.28Å; F155-E254 WeakPolarHBondContact CE1-O 3.2Å; A156-E254 HydrophobicContact CB-CG 4.44Å; F252-E254 HydrophobicContact CD1-CG 4.4Å; F252-E254 HydrophobicContact CE1-CG 4Å; E254-L258 HydrophobicContact CB-CD1 3.92Å; E254-L258 HydrophobicContact CG-CD1 4.05Å
255D86.2Confident86.6Confident8 Ų855 Ų554%0.04327%0.273CS..SBendtrans-163.1-176.4179.8-168.514.1000109.6F155 L197 H257 L258 H269F155-D255 HydrophobicContact CE1-CB 4.06Å; L197-D255 HydrophobicContact CD2-CB 4.37Å; L197-D255 WeakPolarHBondContact CD2-OD2 3.44Å; D255-H257 PolarHBondContact O-N 3Å; D255-L258 WeakPolarHBondContact O-CG 3.3Å; D255-L258 PolarHBondContact O-N 3.32Å; D255-L258 VanDerWaalsContact O-N 3.08Å; D255-H269 IonicContact OD2-CD2 3.88Å; D255-H269 IonicContact OD2-CE1 3.68Å; D255-H269 IonicContact OD2-NE2 2.76Å; D255-H269 PolarHBondContact OD2-NE2 3.16Å
256D77.6Confident86.2Confident12 Ų1258.1 Ų58.16%0.06429%0.286CS..THydrogen-bonded Turntrans-60-15.7-170.9-62.8-45.9000115.5C147 L197 L258 P259 F260C147-D256 WeakPolarHBondContact CB-OD1 3.33Å; C147-D256 PolarHBondContact SG-OD1 3.49Å; C147-D256 PolarHBondContact SG-OD2 2.96Å; L197-D256 HydrophobicContact CD1-CB 4.23Å; L197-D256 HydrophobicContact CD2-CB 3.88Å; D256-L258 VanDerWaalsContact C-N 3.32Å; D256-P259 WeakPolarHBondContact O-CD 3.39Å; D256-F260 WeakPolarHBondContact O-CD2 3.23Å; D256-F260 WeakPolarHBondContact O-CE2 3.26Å
257H82.6Confident85.9Confident0 Ų052.3 Ų52.30%026%0.255CS..THydrogen-bonded Turntrans-73-23.7178.266.6-76000113.2L195 L197 Y214 I253 D255 P259 F260 L261 V267 H269L195-H257 HydrophobicContact CD2-CB 4.42Å; L197-H257 HydrophobicContact CD2-CB 3.74Å; Y214-H257 AromaticContact CE1-NE2 3.74Å; Y214-H257 AromaticContact CE2-NE2 3.77Å; Y214-H257 AromaticContact CZ-NE2 3.48Å; I253-H257 PolarHBondContact O-CE1 3.48Å; I253-H257 VanDerWaalsContact O-CE1 3.25Å; D255-H257 PolarHBondContact O-N 3Å; H257-P259 VanDerWaalsContact C-CD 3.48Å; H257-F260 WeakPolarHBondContact O-CB 3.4Å; H257-F260 PolarHBondContact O-N 3.22Å; H257-F260 VanDerWaalsContact O-N 3.16Å; H257-L261 WeakPolarHBondContact O-CB 3.5Å; H257-L261 PolarHBondContact O-N 3.19Å; H257-V267 HydrophobicContact CB-CB 4.46Å; H257-V267 HydrophobicContact CB-CG1 3.52Å; H257-V267 HydrophobicContact CB-CG2 4.09Å; H257-H269 AromaticContact CE1-CE1 3.57Å; H257-H269 AromaticContact CE1-CG 4Å; H257-H269 AromaticContact CE1-ND1 3.14Å; H257-H269 PolarHBondContact CE1-ND1 2.8Å; H257-H269 AromaticContact ND1-CE1 3.68Å; H257-H269 AromaticContact ND1-CG 3.81Å; H257-H269 AromaticContact ND1-ND1 3.35Å; H257-H269 PolarHBondContact ND1-ND1 3.44Å; H257-H269 AromaticContact NE2-ND1 3.84Å
258L85.3Confident85.9Confident22 Ų2246.8 Ų46.812%0.11523%0.229CC..Hα-helixtrans-54.8-45.4-173.7-68.2-178.3000113.6F252 E254 D255 D256 F260 L261 E262F252-L258 HydrophobicContact CE1-CD2 4.39Å; F252-L258 HydrophobicContact CZ-CD2 3.79Å; E254-L258 HydrophobicContact CB-CD1 3.92Å; E254-L258 HydrophobicContact CG-CD1 4.05Å; D255-L258 WeakPolarHBondContact O-CG 3.3Å; D255-L258 PolarHBondContact O-N 3.32Å; D255-L258 VanDerWaalsContact O-N 3.08Å; D256-L258 VanDerWaalsContact C-N 3.32Å; L258-F260 VanDerWaalsContact C-N 3.28Å; L258-F260 PolarHBondContact O-N 3.38Å; L258-L261 WeakPolarHBondContact O-CB 3.48Å; L258-L261 PolarHBondContact O-N 3.35Å; L258-E262 WeakPolarHBondContact O-CG 3.35Å; L258-E262 PolarHBondContact O-N 3.47Å
259P78Confident85.8Confident7 Ų743 Ų435%0.04521%0.211CC..Hα-helixtrans-71.1-26-177.4-2239.2000113.7I178 D256 H257 R263I178-P259 HydrophobicContact CD1-CB 3.47Å; I178-P259 VanDerWaalsContact CD1-CB 3.47Å; I178-P259 HydrophobicContact CD1-CG 3.12Å; I178-P259 HydrophobicContact CG1-CB 4.04Å; I178-P259 HydrophobicContact CG1-CG 3.58Å; D256-P259 WeakPolarHBondContact O-CD 3.39Å; H257-P259 VanDerWaalsContact C-CD 3.48Å; P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-NH1 3.47Å
260F79.5Confident86Confident20 Ų2041.8 Ų41.89%0.08820%0.203CC..Hα-helixtrans-74.1-43.9172.4-63.7-83.1000110.2I184 L195 D256 H257 L258 E262 R263 G264 V265I184-F260 HydrophobicContact CD1-CE1 3.74Å; I184-F260 HydrophobicContact CD1-CZ 3.78Å; I184-F260 HydrophobicContact CG2-CE1 3.95Å; L195-F260 HydrophobicContact CD2-CB 3.86Å; L195-F260 HydrophobicContact CD2-CD1 4.34Å; L195-F260 HydrophobicContact CD2-CD2 3.59Å; L195-F260 HydrophobicContact CD2-CE2 4.18Å; L195-F260 HydrophobicContact CD2-CG 3.67Å; D256-F260 WeakPolarHBondContact O-CD2 3.23Å; D256-F260 WeakPolarHBondContact O-CE2 3.26Å; H257-F260 WeakPolarHBondContact O-CB 3.4Å; H257-F260 PolarHBondContact O-N 3.22Å; H257-F260 VanDerWaalsContact O-N 3.16Å; L258-F260 VanDerWaalsContact C-N 3.28Å; L258-F260 PolarHBondContact O-N 3.38Å; F260-E262 PolarHBondContact O-N 3.29Å; F260-R263 CarbonylContact O-C 3.58Å; F260-R263 WeakPolarHBondContact O-CA 3.32Å; F260-R263 PolarHBondContact O-N 3.39Å; F260-G264 PolarHBondContact O-N 2.82Å; F260-V265 HydrophobicContact CB-CB 3.85Å; F260-V265 HydrophobicContact CB-CG1 4.26Å; F260-V265 HydrophobicContact CB-CG2 4.1Å; F260-V265 HydrophobicContact CD1-CG2 4.35Å; F260-V265 VanDerWaalsContact O-CB 3.26Å; F260-V265 WeakPolarHBondContact O-CB 3.34Å; F260-V265 WeakPolarHBondContact O-CG2 3.49Å; F260-V265 PolarHBondContact O-N 2.88Å
261L82.8Confident86.1Confident56 Ų5634.4 Ų34.429%0.29318%0.175SC..Hα-helixtrans-59.2-45.7176.7-176.266.2000111.4Y214 H257 L258 R263 G264 V267Y214-L261 VanDerWaalsContact CB-CD2 3.46Å; Y214-L261 HydrophobicContact CD1-CD2 4.21Å; Y214-L261 HydrophobicContact CG-CD2 3.98Å; H257-L261 WeakPolarHBondContact O-CB 3.5Å; H257-L261 PolarHBondContact O-N 3.19Å; L258-L261 WeakPolarHBondContact O-CB 3.48Å; L258-L261 PolarHBondContact O-N 3.35Å; L261-R263 PolarHBondContact O-N 3.13Å; L261-G264 PolarHBondContact O-N 3.23Å; L261-V267 HydrophobicContact CB-CG2 4.28Å; L261-V267 HydrophobicContact CD1-CG2 4.46Å
262E82.1Confident86.6Confident154 Ų15434.5 Ų34.572%0.7218%0.175SC*.Hα-helixtrans-58-28.5174.7-74.3174.3179.800113.1L258 F260 G264L258-E262 WeakPolarHBondContact O-CG 3.35Å; L258-E262 PolarHBondContact O-N 3.47Å; F260-E262 PolarHBondContact O-N 3.29Å; E262-G264 VanDerWaalsContact C-N 3.33Å
263R79Confident87Confident137 Ų13733.3 Ų33.352%0.51717%0.171SC..THydrogen-bonded Turntrans-93.212.8177.3-69.7172.6177.3740.5113.2P259 F260 L261 V265P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-NH1 3.47Å; F260-R263 CarbonylContact O-C 3.58Å; F260-R263 WeakPolarHBondContact O-CA 3.32Å; F260-R263 PolarHBondContact O-N 3.39Å; L261-R263 PolarHBondContact O-N 3.13Å; R263-V265 VanDerWaalsContact C-N 3.31Å; R263-V265 PolarHBondContact O-N 3.46Å
264G84Confident87.5Confident66 Ų6638.4 Ų38.468%0.6821%0.205SC*.THydrogen-bonded Turntrans75.514.3176.600000114.6F260 L261 E262F260-G264 PolarHBondContact O-N 2.82Å; L261-G264 PolarHBondContact O-N 3.23Å; E262-G264 VanDerWaalsContact C-N 3.33Å
265V81.5Confident88Confident21 Ų2136.6 Ų36.613%0.12720%0.196CC..  trans-71.5136.9172.5-178.70000108.8K192 L195 F260 R263K192-V265 HydrophobicContact CD-CG2 4.4Å; L195-V265 HydrophobicContact CB-CG1 4.03Å; F260-V265 HydrophobicContact CB-CB 3.85Å; F260-V265 HydrophobicContact CB-CG1 4.26Å; F260-V265 HydrophobicContact CB-CG2 4.1Å; F260-V265 HydrophobicContact CD1-CG2 4.35Å; F260-V265 VanDerWaalsContact O-CB 3.26Å; F260-V265 WeakPolarHBondContact O-CB 3.34Å; F260-V265 WeakPolarHBondContact O-CG2 3.49Å; F260-V265 PolarHBondContact O-N 2.88Å; R263-V265 VanDerWaalsContact C-N 3.31Å; R263-V265 PolarHBondContact O-N 3.46Å
266K89.8Confident88.5Confident100 Ų10036.9 Ų36.944%0.43520%0.198SC..  trans-76.8125.4177.1-61.4178.5-171.2166.40109.6A194 L195 F216A194-K266 CarbonylContact C-O 3.5Å; A194-K266 WeakPolarHBondContact CA-O 3Å; L195-K266 PolarHBondContact N-O 3.26Å; F216-K266 HydrophobicContact CB-CB 3.89Å; F216-K266 HydrophobicContact CD1-CB 3.54Å; F216-K266 HydrophobicContact CD1-CD 3.61Å; F216-K266 HydrophobicContact CD1-CG 4.13Å; F216-K266 HydrophobicContact CD2-CB 4.44Å; F216-K266 HydrophobicContact CD2-CD 3.97Å; F216-K266 HydrophobicContact CD2-CG 4.44Å; F216-K266 HydrophobicContact CE1-CB 4.19Å; F216-K266 HydrophobicContact CE1-CD 3.41Å; F216-K266 VanDerWaalsContact CE1-CD 3.41Å; F216-K266 HydrophobicContact CE1-CG 4.4Å; F216-K266 HydrophobicContact CE2-CD 3.8Å; F216-K266 HydrophobicContact CG-CB 3.72Å; F216-K266 HydrophobicContact CG-CD 3.93Å; F216-K266 HydrophobicContact CG-CG 4.19Å; F216-K266 HydrophobicContact CZ-CD 3.54Å
267V89.2Confident89.4Confident0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans-116.1140.8-171.51710000111.3L195 Y214 T215 F216 H257 L261 H269L195-V267 HydrophobicContact CB-CG2 4.46Å; L195-V267 HydrophobicContact CD2-CG2 4.29Å; L195-V267 CarbonylContact O-C 3.57Å; L195-V267 WeakPolarHBondContact O-CA 3.21Å; Y214-V267 HydrophobicContact CD2-CG1 4.38Å; T215-V267 CarbonylContact C-O 3.54Å; T215-V267 WeakPolarHBondContact CA-O 3.27Å; F216-V267 PolarHBondContact N-O 3.41Å; H257-V267 HydrophobicContact CB-CB 4.46Å; H257-V267 HydrophobicContact CB-CG1 3.52Å; H257-V267 HydrophobicContact CB-CG2 4.09Å; L261-V267 HydrophobicContact CB-CG2 4.28Å; L261-V267 HydrophobicContact CD1-CG2 4.46Å; V267-H269 HydrophobicContact CG1-CB 4.28Å
268V94.9Very high90.1Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-120.8113.5158.3-1790000106.6L195 V196 L197 T215 F216 V219 Y220 L223 L270L195-V268 PolarHBondContact O-N 3.21Å; V196-V268 CarbonylContact C-O 3.41Å; V196-V268 WeakPolarHBondContact CA-O 3.29Å; V196-V268 HydrophobicContact CG1-CB 4.45Å; V196-V268 HydrophobicContact CG2-CB 4.28Å; L197-V268 PolarHBondContact N-O 3.01Å; T215-V268 HydrophobicContact CG2-CG2 4.49Å; F216-V268 HydrophobicContact CB-CG2 4.46Å; V219-V268 HydrophobicContact CB-CG2 3.79Å; V219-V268 HydrophobicContact CG1-CG2 3.91Å; Y220-V268 HydrophobicContact CD2-CG1 3.82Å; Y220-V268 HydrophobicContact CG-CG1 4.48Å; L223-V268 HydrophobicContact CD1-CG1 4.45Å; V268-L270 HydrophobicContact CG1-CD2 3.61Å; V268-L270 HydrophobicContact CG1-CG 3.99Å
269H94.2Very high90.7Very high1 Ų146.7 Ų46.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-99113.5179.8-174.1-172.9000108.2Y214 D255 H257 V267 I271Y214-H269 HydrophobicContact CE2-CB 3.69Å; Y214-H269 PolarHBondContact OH-ND1 3.46Å; D255-H269 IonicContact OD2-CD2 3.88Å; D255-H269 IonicContact OD2-CE1 3.68Å; D255-H269 IonicContact OD2-NE2 2.76Å; D255-H269 PolarHBondContact OD2-NE2 3.16Å; H257-H269 AromaticContact CE1-CE1 3.57Å; H257-H269 AromaticContact CE1-CG 4Å; H257-H269 AromaticContact CE1-ND1 3.14Å; H257-H269 PolarHBondContact CE1-ND1 2.8Å; H257-H269 AromaticContact ND1-CE1 3.68Å; H257-H269 AromaticContact ND1-CG 3.81Å; H257-H269 AromaticContact ND1-ND1 3.35Å; H257-H269 PolarHBondContact ND1-ND1 3.44Å; H257-H269 AromaticContact NE2-ND1 3.84Å; V267-H269 HydrophobicContact CG1-CB 4.28Å; H269-I271 WeakPolarHBondContact NE2-CB 3.49Å; H269-I271 VanDerWaalsContact NE2-CG2 3.35Å; H269-I271 WeakPolarHBondContact NE2-CG2 3.49Å
270L97.4Very high91.5Very high0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-107.385.1-177.6-57.3-178.8000109.1V196 L197 D199 M201 F208 Y220 L223 F244 V268 F301V196-L270 HydrophobicContact CG1-CD1 3.47Å; V196-L270 VanDerWaalsContact CG1-CD1 3.47Å; V196-L270 HydrophobicContact CG1-CG 4.07Å; L197-L270 WeakPolarHBondContact O-CA 3.16Å; L197-L270 WeakPolarHBondContact O-CB 3.15Å; L197-L270 PolarHBondContact O-N 2.95Å; D199-L270 PolarHBondContact N-O 2.71Å; M201-L270 HydrophobicContact CE-CB 3.56Å; M201-L270 WeakPolarHBondContact CE-O 3.39Å; F208-L270 HydrophobicContact CD1-CB 4.19Å; F208-L270 HydrophobicContact CE1-CB 4.44Å; Y220-L270 HydrophobicContact CD2-CD2 4.13Å; Y220-L270 HydrophobicContact CE2-CD2 4.1Å; L223-L270 HydrophobicContact CD1-CD1 3.73Å; L223-L270 HydrophobicContact CD1-CD2 3.59Å; L223-L270 HydrophobicContact CD1-CG 4.29Å; F244-L270 HydrophobicContact CE1-CD1 4.39Å; F244-L270 HydrophobicContact CE1-CD2 4.26Å; V268-L270 HydrophobicContact CG1-CD2 3.61Å; V268-L270 HydrophobicContact CG1-CG 3.99Å; L270-F301 HydrophobicContact CD1-CE1 3.38Å; L270-F301 HydrophobicContact CD1-CZ 3.69Å
271I95.8Very high92.4Very high1 Ų149.1 Ų49.11%0.00527%0.266CS..  trans-127.1132.4174.2-167.6172000107.5F155 D199 L200 I253 H269 F275F155-I271 HydrophobicContact CE1-CD1 4.47Å; D199-I271 HydrophobicContact CB-CB 4.43Å; D199-I271 HydrophobicContact CB-CD1 4.25Å; D199-I271 HydrophobicContact CB-CG1 4.25Å; D199-I271 WeakPolarHBondContact OD2-CD1 3.5Å; L200-I271 HydrophobicContact CB-CG1 4.16Å; L200-I271 HydrophobicContact CD1-CD1 3.75Å; L200-I271 HydrophobicContact CD1-CG1 3.94Å; L200-I271 HydrophobicContact CG-CD1 4Å; L200-I271 HydrophobicContact CG-CG1 4.01Å; I253-I271 HydrophobicContact CD1-CG2 3.4Å; I253-I271 HydrophobicContact CG2-CD1 4.15Å; H269-I271 WeakPolarHBondContact NE2-CB 3.49Å; H269-I271 VanDerWaalsContact NE2-CG2 3.35Å; H269-I271 WeakPolarHBondContact NE2-CG2 3.49Å; I271-F275 HydrophobicContact CD1-CD1 4.36Å; I271-F275 HydrophobicContact CD1-CE1 3.52Å; I271-F275 HydrophobicContact CD1-CE2 4.47Å; I271-F275 HydrophobicContact CD1-CZ 3.59Å; I271-F275 HydrophobicContact CG1-CD1 4.3Å; I271-F275 HydrophobicContact CG1-CE1 3.77Å; I271-F275 HydrophobicContact CG1-CZ 4.35Å
272P97.3Very high93Very high3 Ų352.6 Ų52.62%0.01928%0.278CS..  trans-68.9151.3-176.230-35.7000111.5D199 L200 P206 N207 F208 P274 F275 P276D199-P272 WeakPolarHBondContact O-CD 3.35Å; L200-P272 HydrophobicContact CB-CG 4.22Å; L200-P272 WeakPolarHBondContact O-CD 3.47Å; L200-P272 VanDerWaalsContact O-CG 3.28Å; L200-P272 WeakPolarHBondContact O-CG 3.47Å; P206-P272 HydrophobicContact CB-CB 3.8Å; N207-P272 CarbonylContact O-C 3.27Å; N207-P272 VanDerWaalsContact O-CA 3.26Å; N207-P272 WeakPolarHBondContact O-CA 3.33Å; F208-P272 HydrophobicContact CE1-CB 4.13Å; F208-P272 HydrophobicContact CE1-CG 4.42Å; F208-P272 HydrophobicContact CZ-CB 4.43Å; P272-P274 CarbonylContact C-O 3.53Å; P272-P274 CarbonylContact O-C 3.46Å; P272-F275 VanDerWaalsContact O-CD1 3.23Å; P272-F275 WeakPolarHBondContact O-CD1 3.46Å; P272-P276 HydrophobicContact CG-CG 4.43Å
273L96.3Very high93.8Very high26 Ų2649.5 Ų49.514%0.13626%0.264CS..SBendtrans-127.8120.4170.7-73.3176.6000110.3N207 F209 T249 A251 I253 F275N207-L273 WeakPolarHBondContact CB-O 3.39Å; N207-L273 PolarHBondContact O-N 3.3Å; F209-L273 HydrophobicContact CD2-CB 4.04Å; F209-L273 HydrophobicContact CD2-CD1 4.37Å; F209-L273 HydrophobicContact CE2-CB 4.11Å; T249-L273 HydrophobicContact CG2-CD1 3.77Å; A251-L273 HydrophobicContact CB-CD1 3.81Å; I253-L273 HydrophobicContact CD1-CD2 3.97Å; I253-L273 HydrophobicContact CD1-CG 4.46Å; L273-F275 HydrophobicContact CD2-CD1 4.32Å; L273-F275 HydrophobicContact CD2-CE1 4.09Å
274P96.7Very high94.7Very high108 Ų10843 Ų4370%0.70124%0.239SC*.SBendcis-66166.6-4.931.5-36.8000112.6P272P272-P274 CarbonylContact C-O 3.53Å; P272-P274 CarbonylContact O-C 3.46Å
275F96.9Very high95.4Very high27 Ų2742.2 Ų42.212%0.11822%0.219CC..PPolyproline II helixtrans-61.4158171-67.8-1.6000110.7F155 I157 L200 I253 I271 P272 L273 T277 W279F155-F275 HydrophobicContact CD1-CE2 4.45Å; I157-F275 HydrophobicContact CD1-CD2 4.14Å; I157-F275 HydrophobicContact CD1-CE1 4.23Å; I157-F275 HydrophobicContact CD1-CE2 3.69Å; I157-F275 HydrophobicContact CD1-CZ 3.74Å; I157-F275 HydrophobicContact CG1-CE2 4.25Å; I157-F275 HydrophobicContact CG1-CZ 4.12Å; L200-F275 HydrophobicContact CD1-CB 4.09Å; L200-F275 HydrophobicContact CD1-CD1 3.88Å; L200-F275 HydrophobicContact CD1-CD2 3.64Å; L200-F275 HydrophobicContact CD1-CE1 4.17Å; L200-F275 HydrophobicContact CD1-CE2 3.93Å; L200-F275 HydrophobicContact CD1-CG 3.61Å; L200-F275 HydrophobicContact CD1-CZ 4.19Å; I253-F275 HydrophobicContact CD1-CE1 3.94Å; I253-F275 HydrophobicContact CD1-CZ 4.21Å; I253-F275 HydrophobicContact CG2-CZ 4.08Å; I271-F275 HydrophobicContact CD1-CD1 4.36Å; I271-F275 HydrophobicContact CD1-CE1 3.52Å; I271-F275 HydrophobicContact CD1-CE2 4.47Å; I271-F275 HydrophobicContact CD1-CZ 3.59Å; I271-F275 HydrophobicContact CG1-CD1 4.3Å; I271-F275 HydrophobicContact CG1-CE1 3.77Å; I271-F275 HydrophobicContact CG1-CZ 4.35Å; P272-F275 VanDerWaalsContact O-CD1 3.23Å; P272-F275 WeakPolarHBondContact O-CD1 3.46Å; L273-F275 HydrophobicContact CD2-CD1 4.32Å; L273-F275 HydrophobicContact CD2-CE1 4.09Å; F275-T277 PolarHBondContact O-N 3.18Å; F275-W279 HydrophobicContact CB-CB 4.3Å; F275-W279 HydrophobicContact CB-CG 4.44Å; F275-W279 AromaticContact CD2-CD2 3.94Å; F275-W279 HydrophobicContact CD2-CD2 3.94Å; F275-W279 AromaticContact CD2-CE2 3.95Å; F275-W279 HydrophobicContact CD2-CE3 4.4Å; F275-W279 HydrophobicContact CD2-CG 4.16Å; F275-W279 HydrophobicContact CD2-CZ2 4.34Å; F275-W279 HydrophobicContact CE2-CZ2 4.27Å
276P97.1Very high96.2Very high14 Ų1445.5 Ų45.59%0.09123%0.234CC..PPolyproline II helixtrans-51.7140.7172.1-25.936.1000111.1L200 A203 P272 V278 W279L200-P276 HydrophobicContact CB-CG 4.1Å; L200-P276 WeakPolarHBondContact O-CG 3.38Å; A203-P276 HydrophobicContact CB-CB 3.89Å; A203-P276 HydrophobicContact CB-CG 4.16Å; P272-P276 HydrophobicContact CG-CG 4.43Å; P276-V278 HydrophobicContact CB-CG2 4.02Å; P276-V278 PolarHBondContact O-N 2.97Å; P276-W279 VanDerWaalsContact O-CB 3.22Å; P276-W279 WeakPolarHBondContact O-CB 3.47Å; P276-W279 PolarHBondContact O-N 3.04Å
277T97.4Very high96.6Very high148 Ų14845.5 Ų45.591%0.90825%0.246SC*.THydrogen-bonded Turntrans-64-15.8179.5530000113.5F275F275-T277 PolarHBondContact O-N 3.18Å
278V97.6Very high97Very high22 Ų2246.8 Ų46.813%0.13326%0.256CS..THydrogen-bonded Turntrans-91.6-2.8176-61.80000113.4P276 H280 T281 Q283 D284 A288P276-V278 HydrophobicContact CB-CG2 4.02Å; P276-V278 PolarHBondContact O-N 2.97Å; V278-H280 PolarHBondContact O-N 3.13Å; V278-T281 PolarHBondContact O-N 3.32Å; V278-T281 PolarHBondContact O-OG1 2.93Å; V278-Q283 HydrophobicContact CB-CB 4.35Å; V278-Q283 HydrophobicContact CG1-CB 3.88Å; V278-D284 HydrophobicContact CB-CB 4.18Å; V278-D284 HydrophobicContact CG2-CB 3.98Å; V278-A288 HydrophobicContact CB-CB 4.38Å; V278-A288 HydrophobicContact CG1-CB 3.96Å; V278-A288 HydrophobicContact CG2-CB 3.88Å
279W97.2Very high97.1Very high70 Ų7047.5 Ų47.527%0.26526%0.26SS..THydrogen-bonded Turntrans-52.3127.9-177.6176.472.1000111.4F155 L200 F275 P276 T281F155-W279 HydrophobicContact CB-CH2 4.16Å; F155-W279 HydrophobicContact CB-CZ2 3.93Å; F155-W279 AromaticContact CD2-CZ2 3.84Å; F155-W279 HydrophobicContact CD2-CZ2 3.84Å; F155-W279 HydrophobicContact CG-CZ2 4.05Å; L200-W279 HydrophobicContact CD1-CG 4.27Å; F275-W279 HydrophobicContact CB-CB 4.3Å; F275-W279 HydrophobicContact CB-CG 4.44Å; F275-W279 AromaticContact CD2-CD2 3.94Å; F275-W279 HydrophobicContact CD2-CD2 3.94Å; F275-W279 AromaticContact CD2-CE2 3.95Å; F275-W279 HydrophobicContact CD2-CE3 4.4Å; F275-W279 HydrophobicContact CD2-CG 4.16Å; F275-W279 HydrophobicContact CD2-CZ2 4.34Å; F275-W279 HydrophobicContact CE2-CZ2 4.27Å; P276-W279 VanDerWaalsContact O-CB 3.22Å; P276-W279 WeakPolarHBondContact O-CB 3.47Å; P276-W279 PolarHBondContact O-N 3.04Å; W279-T281 PolarHBondContact O-N 3.39Å
280H95.5Very high97.3Very high37 Ų3749.4 Ų49.417%0.17127%0.269CS..THydrogen-bonded Turntrans57.227.8-178.2-74.3178.7000115.1K101 F103 D114 V278K101-H280 WeakPolarHBondContact CD-NE2 3.43Å; F103-H280 HydrophobicContact CE2-CB 4.38Å; F103-H280 HydrophobicContact CZ-CB 3.7Å; F103-H280 AromaticContact CZ-CG 3.82Å; D114-H280 IonicContact OD2-CD2 2.71Å; D114-H280 PolarHBondContact OD2-CD2 3.4Å; D114-H280 IonicContact OD2-NE2 3.2Å; V278-H280 PolarHBondContact O-N 3.13Å
281T97.1Very high97.4Very high41 Ų4151.1 Ų51.125%0.25228%0.276SS..SBendtrans-117.3161.9171.681.70000111.2F109 V278 W279 Q283 D284F109-T281 WeakPolarHBondContact CD2-O 3.32Å; F109-T281 VanDerWaalsContact CE2-O 3.28Å; F109-T281 WeakPolarHBondContact CE2-O 3.17Å; V278-T281 PolarHBondContact O-N 3.32Å; V278-T281 PolarHBondContact O-OG1 2.93Å; W279-T281 PolarHBondContact O-N 3.39Å; T281-Q283 VanDerWaalsContact CB-OE1 3.28Å; T281-Q283 PolarHBondContact O-N 3.46Å; T281-Q283 VanDerWaalsContact O-N 3.07Å; T281-Q283 PolarHBondContact OG1-N 3.33Å; T281-Q283 PolarHBondContact OG1-OE1 3.49Å; T281-D284 PolarHBondContact O-N 2.88Å; T281-D284 VanDerWaalsContact O-N 3.09Å
282K97.2Very high97.5Very high128 Ų12853 Ų5356%0.55729%0.288SS*.THydrogen-bonded Turntrans-60.4-17174.170.1176.1-177.2176.20113.6F107 D284F107-K282 HydrophobicContact CB-CB 4.21Å; F107-K282 HydrophobicContact CD1-CB 4.45Å; F107-K282 HydrophobicContact CD2-CB 3.67Å; F107-K282 HydrophobicContact CE2-CB 4.1Å; F107-K282 HydrophobicContact CG-CB 3.86Å; K282-D284 VanDerWaalsContact C-N 3.31Å
283Q98Very high97.6Very high89 Ų8952.9 Ų52.942%0.41629%0.288SS..THydrogen-bonded Turntrans-82.7-4178.7-66.182.111.700112.9V278 T281 D285 A288V278-Q283 HydrophobicContact CB-CB 4.35Å; V278-Q283 HydrophobicContact CG1-CB 3.88Å; T281-Q283 VanDerWaalsContact CB-OE1 3.28Å; T281-Q283 PolarHBondContact O-N 3.46Å; T281-Q283 VanDerWaalsContact O-N 3.07Å; T281-Q283 PolarHBondContact OG1-N 3.33Å; T281-Q283 PolarHBondContact OG1-OE1 3.49Å; Q283-D285 PolarHBondContact O-N 3.34Å; Q283-A288 VanDerWaalsContact O-CB 3.28Å; Q283-A288 WeakPolarHBondContact O-CB 3.28Å
284D98.5Very high97.7Very high0 Ų051.8 Ų51.80%028%0.282CS..  trans-76.663.7168.9-166.311.9000111.1F109 G111 A112 T113 D114 V278 T281 K282F109-D284 HydrophobicContact CE2-CB 3.72Å; F109-D284 HydrophobicContact CZ-CB 4.22Å; G111-D284 PolarHBondContact N-O 3.07Å; G111-D284 VanDerWaalsContact N-O 3.13Å; A112-D284 PolarHBondContact N-O 3.31Å; A112-D284 PolarHBondContact N-OD1 3.43Å; T113-D284 WeakPolarHBondContact CG2-OD1 3.49Å; T113-D284 PolarHBondContact N-OD1 2.84Å; T113-D284 PolarHBondContact N-OD2 3.31Å; T113-D284 VanDerWaalsContact OG1-CG 3.29Å; T113-D284 PolarHBondContact OG1-OD1 3.13Å; T113-D284 VanDerWaalsContact OG1-OD1 3.05Å; T113-D284 PolarHBondContact OG1-OD2 3.39Å; D114-D284 WeakPolarHBondContact CB-OD2 3.39Å; D114-D284 PolarHBondContact N-OD2 3.4Å; V278-D284 HydrophobicContact CB-CB 4.18Å; V278-D284 HydrophobicContact CG2-CB 3.98Å; T281-D284 PolarHBondContact O-N 2.88Å; T281-D284 VanDerWaalsContact O-N 3.09Å; K282-D284 VanDerWaalsContact C-N 3.31Å
285D98.1Very high97.7Very high50 Ų5048 Ų4827%0.26725%0.254SS..SBendtrans-121.3-171.7179.867.127.1000110.3I110 A112 Q283 S287 A288I110-D285 HydrophobicContact CG1-CB 4.27Å; A112-D285 VanDerWaalsContact CB-C 3.45Å; A112-D285 VanDerWaalsContact CB-O 3.26Å; A112-D285 WeakPolarHBondContact CB-O 3.21Å; Q283-D285 PolarHBondContact O-N 3.34Å; D285-S287 PolarHBondContact O-N 2.96Å; D285-S287 VanDerWaalsContact O-N 3.16Å; D285-S287 WeakPolarHBondContact OD1-CA 3.4Å; D285-S287 VanDerWaalsContact OD1-CB 3.23Å; D285-S287 WeakPolarHBondContact OD1-CB 3.49Å; D285-S287 PolarHBondContact OD1-N 3.13Å; D285-S287 PolarHBondContact OD1-OG 2.9Å; D285-A288 PolarHBondContact O-N 2.7Å
286Q97.9Very high97.8Very high91 Ų9146.8 Ų46.843%0.42525%0.25SC..G310 helixtrans-59.4-26.4-179.4-175.2169.7-34.100113.7L33 A288 L289L33-Q286 HydrophobicContact CD1-CB 4.18Å; L33-Q286 HydrophobicContact CD1-CG 4.09Å; Q286-A288 VanDerWaalsContact C-N 3.32Å; Q286-L289 WeakPolarHBondContact O-CB 3.48Å; Q286-L289 PolarHBondContact O-N 3.23Å
287S97.6Very high97.9Very high100 Ų10046.1 Ų46.170%0.69925%0.245SC*.G310 helixtrans-73.6-23-178.876.70000113.2D285 L289D285-S287 PolarHBondContact O-N 2.96Å; D285-S287 VanDerWaalsContact O-N 3.16Å; D285-S287 WeakPolarHBondContact OD1-CA 3.4Å; D285-S287 VanDerWaalsContact OD1-CB 3.23Å; D285-S287 WeakPolarHBondContact OD1-CB 3.49Å; D285-S287 PolarHBondContact OD1-N 3.13Å; D285-S287 PolarHBondContact OD1-OG 2.9Å; S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 2.99Å
288A97.7Very high97.9Very high26 Ų2639.2 Ų39.222%0.21520%0.203CC..G310 helixtrans-77.1-12.5175.300000113.7V278 Q283 D285 Q286V278-A288 HydrophobicContact CB-CB 4.38Å; V278-A288 HydrophobicContact CG1-CB 3.96Å; V278-A288 HydrophobicContact CG2-CB 3.88Å; Q283-A288 VanDerWaalsContact O-CB 3.28Å; Q283-A288 WeakPolarHBondContact O-CB 3.28Å; D285-A288 PolarHBondContact O-N 2.7Å; Q286-A288 VanDerWaalsContact C-N 3.32Å
289L98.7Very high98Very high16 Ų1638.3 Ų38.38%0.08420%0.198CC..  trans-77.3126.9-173.8-61.2-171.6000112.4L29 L33 A112 T113 V117 Q286 S287 Y291 I294L29-L289 HydrophobicContact CD2-CD1 3.71Å; L33-L289 HydrophobicContact CD1-CD1 4.34Å; L33-L289 HydrophobicContact CD2-CD1 4.29Å; A112-L289 HydrophobicContact CB-CD1 4.39Å; A112-L289 HydrophobicContact CB-CD2 3.85Å; A112-L289 HydrophobicContact CB-CG 4.19Å; T113-L289 HydrophobicContact CG2-CD2 4.02Å; V117-L289 HydrophobicContact CG2-CD1 4.05Å; V117-L289 HydrophobicContact CG2-CD2 3.64Å; V117-L289 HydrophobicContact CG2-CG 4.49Å; Q286-L289 WeakPolarHBondContact O-CB 3.48Å; Q286-L289 PolarHBondContact O-N 3.23Å; S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 2.99Å; L289-Y291 HydrophobicContact CB-CE2 4.49Å; L289-I294 HydrophobicContact CB-CD1 3.84Å; L289-I294 HydrophobicContact CD1-CD1 4.26Å; L289-I294 HydrophobicContact CD2-CD1 4.18Å; L289-I294 HydrophobicContact CG-CD1 4.33Å
290H98.5Very high98Very high41 Ų4135 Ų3519%0.1919%0.185CC..  trans-101.991.8172.6-172.7-101.1000110.1G202 R204 T293 I294G202-H290 PolarHBondContact O-N 3.25Å; R204-H290 HydrophobicContact CB-CB 3.85Å; R204-H290 HydrophobicContact CG-CB 4.41Å; R204-H290 PolarHBondContact NE-NE2 3.1Å; H290-T293 PolarHBondContact ND1-N 3.42Å; H290-T293 PolarHBondContact ND1-OG1 2.89Å; H290-T293 WeakPolarHBondContact O-CA 3.41Å; H290-T293 VanDerWaalsContact O-CB 3.28Å; H290-T293 WeakPolarHBondContact O-CB 3.34Å; H290-T293 PolarHBondContact O-N 3.33Å; H290-I294 PolarHBondContact O-N 3.41Å; H290-I294 VanDerWaalsContact O-N 3.14Å
291Y98.3Very high98.1Very high35 Ų3533.3 Ų33.314%0.13718%0.177CC..Hα-helixtrans-53.6-40.2-175-75.9-79000115.7R26 L29 L289 T293 I294 E295R26-Y291 HydrophobicContact CG-CD1 4.24Å; R26-Y291 HydrophobicContact CG-CE1 3.74Å; R26-Y291 VanDerWaalsContact CZ-CG 3.44Å; R26-Y291 VanDerWaalsContact NH1-CE1 3.3Å; R26-Y291 VanDerWaalsContact NH1-CE2 3.27Å; R26-Y291 VanDerWaalsContact NH2-CD1 3.34Å; L29-Y291 HydrophobicContact CD2-CE1 4.37Å; L289-Y291 HydrophobicContact CB-CE2 4.49Å; Y291-T293 PolarHBondContact O-N 2.79Å; Y291-I294 HydrophobicContact CD1-CD1 4.36Å; Y291-I294 PolarHBondContact O-N 2.98Å; Y291-E295 WeakPolarHBondContact O-CB 3.21Å; Y291-E295 VanDerWaalsContact O-CG 3.28Å; Y291-E295 WeakPolarHBondContact O-CG 3.44Å; Y291-E295 PolarHBondContact O-N 3.46Å
292P98.1Very high98Very high42 Ų4231.4 Ų31.427%0.27317%0.165SC..Hα-helixtrans-58.3-33.2174.5-25.834.7000113.2H238 M240 N296H238-P292 HydrophobicContact CB-CB 3.91Å; H238-P292 PolarHBondContact CD2-O 3.42Å; M240-P292 HydrophobicContact SD-CB 4.13Å; P292-N296 WeakPolarHBondContact O-CB 3.4Å; P292-N296 VanDerWaalsContact O-CG 3.27Å; P292-N296 PolarHBondContact O-N 3.49Å; P292-N296 VanDerWaalsContact O-N 3.1Å
293T98.5Very high97.9Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-69.4-46.7172.9-64.50000111.1A203 P206 M240 M243 H290 Y291 E295 N296 L297A203-T293 WeakPolarHBondContact O-CG2 3.36Å; P206-T293 HydrophobicContact CG-CG2 3.8Å; M240-T293 WeakPolarHBondContact CE-OG1 3.21Å; M240-T293 PolarHBondContact SD-OG1 3.13Å; M240-T293 VanDerWaalsContact SD-OG1 3.39Å; M243-T293 HydrophobicContact SD-CG2 3.93Å; H290-T293 PolarHBondContact ND1-N 3.42Å; H290-T293 PolarHBondContact ND1-OG1 2.89Å; H290-T293 WeakPolarHBondContact O-CA 3.41Å; H290-T293 VanDerWaalsContact O-CB 3.28Å; H290-T293 WeakPolarHBondContact O-CB 3.34Å; H290-T293 PolarHBondContact O-N 3.33Å; Y291-T293 PolarHBondContact O-N 2.79Å; T293-E295 VanDerWaalsContact C-N 3.31Å; T293-E295 PolarHBondContact O-N 3.06Å; T293-N296 PolarHBondContact O-N 3.49Å; T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.28Å; T293-L297 WeakPolarHBondContact O-CG 3.28Å; T293-L297 PolarHBondContact O-N 2.85Å
294I98.7Very high97.8Very high2 Ų221.1 Ų21.11%0.0112%0.119CC..Hα-helixtrans-61.5-42-178.6-62.5165.4000110.8L25 V117 L289 H290 Y291 L297 A298L25-I294 HydrophobicContact CD2-CG2 3.7Å; L25-I294 HydrophobicContact CG-CG2 4.28Å; V117-I294 HydrophobicContact CG1-CD1 4.4Å; V117-I294 HydrophobicContact CG1-CG1 4.02Å; V117-I294 HydrophobicContact CG1-CG2 4.05Å; V117-I294 HydrophobicContact CG2-CD1 3.89Å; V117-I294 HydrophobicContact CG2-CG1 4.41Å; L289-I294 HydrophobicContact CB-CD1 3.84Å; L289-I294 HydrophobicContact CD1-CD1 4.26Å; L289-I294 HydrophobicContact CD2-CD1 4.18Å; L289-I294 HydrophobicContact CG-CD1 4.33Å; H290-I294 PolarHBondContact O-N 3.41Å; H290-I294 VanDerWaalsContact O-N 3.14Å; Y291-I294 HydrophobicContact CD1-CD1 4.36Å; Y291-I294 PolarHBondContact O-N 2.98Å; I294-L297 PolarHBondContact O-N 2.81Å; I294-A298 WeakPolarHBondContact O-CB 3.44Å; I294-A298 PolarHBondContact O-N 3.34Å
295E98.4Very high97.4Very high28 Ų2821.1 Ų21.113%0.13112%0.119CC..Hα-helixtrans-67-40.1177.2-68.6170.7-168.500112.1S22 L25 R26 H238 Y291 T293 T299S22-E295 VanDerWaalsContact CB-OE1 3.28Å; S22-E295 WeakPolarHBondContact CB-OE1 3.26Å; S22-E295 PolarHBondContact OG-OE1 3.21Å; S22-E295 VanDerWaalsContact OG-OE1 3.09Å; S22-E295 PolarHBondContact OG-OE2 2.74Å; L25-E295 HydrophobicContact CD2-CG 4.24Å; R26-E295 IonicContact NH2-OE1 2.81Å; R26-E295 PolarHBondContact NH2-OE1 3.23Å; H238-E295 IonicContact CD2-OE2 3.49Å; H238-E295 IonicContact CE1-OE2 3.57Å; H238-E295 IonicContact NE2-OE2 2.73Å; H238-E295 PolarHBondContact NE2-OE2 3.09Å; Y291-E295 WeakPolarHBondContact O-CB 3.21Å; Y291-E295 VanDerWaalsContact O-CG 3.28Å; Y291-E295 WeakPolarHBondContact O-CG 3.44Å; Y291-E295 PolarHBondContact O-N 3.46Å; T293-E295 VanDerWaalsContact C-N 3.31Å; T293-E295 PolarHBondContact O-N 3.06Å; E295-T299 PolarHBondContact O-N 2.83Å; E295-T299 PolarHBondContact O-OG1 3.26Å
296N98.4Very high97Very high3 Ų318.7 Ų18.72%0.01611%0.106CC..Hα-helixtrans-62.4-46.5171.7-79.70.6000111.6L237 H238 M243 P292 T293 T299 I300L237-N296 VanDerWaalsContact CA-OD1 3.3Å; L237-N296 WeakPolarHBondContact CA-OD1 3.24Å; L237-N296 WeakPolarHBondContact CB-OD1 3.28Å; L237-N296 HydrophobicContact CD2-CB 3.98Å; H238-N296 PolarHBondContact CD2-OD1 2.95Å; H238-N296 PolarHBondContact N-OD1 3.05Å; H238-N296 PolarHBondContact O-ND2 3.44Å; M243-N296 HydrophobicContact CE-CB 3.81Å; P292-N296 WeakPolarHBondContact O-CB 3.4Å; P292-N296 VanDerWaalsContact O-CG 3.27Å; P292-N296 PolarHBondContact O-N 3.49Å; P292-N296 VanDerWaalsContact O-N 3.1Å; T293-N296 PolarHBondContact O-N 3.49Å; N296-T299 PolarHBondContact O-N 3.43Å; N296-I300 VanDerWaalsContact O-CG1 3.29Å; N296-I300 WeakPolarHBondContact O-CG1 3.35Å; N296-I300 PolarHBondContact O-N 2.73Å
297L98.6Very high96.7Very high0 Ų014.5 Ų14.50%09%0.087CC..Hα-helixtrans-59.9-48.2177.9-72.8171.6000111.2I121 M201 F208 M243 F244 T293 I294 T299 I300 F301I121-L297 HydrophobicContact CD1-CB 3.94Å; I121-L297 HydrophobicContact CD1-CD1 4.47Å; M201-L297 HydrophobicContact CB-CD1 4.14Å; M201-L297 HydrophobicContact SD-CD1 4.25Å; F208-L297 HydrophobicContact CE2-CD2 3.88Å; F208-L297 HydrophobicContact CZ-CD2 4.45Å; M243-L297 HydrophobicContact CE-CD2 4.05Å; M243-L297 HydrophobicContact CE-CG 4.35Å; M243-L297 HydrophobicContact SD-CD2 3.82Å; M243-L297 HydrophobicContact SD-CG 4.05Å; F244-L297 HydrophobicContact CE2-CD2 4.06Å; F244-L297 HydrophobicContact CZ-CD2 3.97Å; T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.28Å; T293-L297 WeakPolarHBondContact O-CG 3.28Å; T293-L297 PolarHBondContact O-N 2.85Å; I294-L297 PolarHBondContact O-N 2.81Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.47Å; L297-I300 PolarHBondContact O-N 3.14Å; L297-F301 HydrophobicContact CB-CD2 4.24Å; L297-F301 HydrophobicContact CB-CE2 4.12Å; L297-F301 HydrophobicContact CD2-CE2 4.13Å; L297-F301 WeakPolarHBondContact O-CB 3.45Å; L297-F301 WeakPolarHBondContact O-CD2 3.28Å; L297-F301 PolarHBondContact O-N 3.49Å
298A98.3Very high96.2Very high2 Ų210 Ų102%0.0175%0.054CC..Hα-helixtrans-57.1-4317700000111.9L25 I121 I294 F301 R302L25-A298 HydrophobicContact CD1-CB 4.37Å; L25-A298 HydrophobicContact CD2-CB 3.75Å; I121-A298 HydrophobicContact CG1-CB 4.43Å; I294-A298 WeakPolarHBondContact O-CB 3.44Å; I294-A298 PolarHBondContact O-N 3.34Å; A298-F301 PolarHBondContact O-N 2.9Å; A298-R302 WeakPolarHBondContact O-CB 3.44Å; A298-R302 PolarHBondContact O-N 2.96Å
299T98.1Very high95.5Very high4 Ų49.6 Ų9.63%0.0255%0.049CC..Hα-helixtrans-63.6-47.2176.3-54.20000111.7S20 L230 L237 E295 N296 L297 F301 R302 V303S20-T299 PolarHBondContact OG-OG1 3.26Å; L230-T299 HydrophobicContact CD1-CG2 4.16Å; L230-T299 HydrophobicContact CD2-CG2 4.14Å; L237-T299 HydrophobicContact CD2-CG2 4.04Å; E295-T299 PolarHBondContact O-N 2.83Å; E295-T299 PolarHBondContact O-OG1 3.26Å; N296-T299 PolarHBondContact O-N 3.43Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.47Å; T299-F301 PolarHBondContact O-N 3.39Å; T299-R302 PolarHBondContact O-N 2.77Å; T299-V303 WeakPolarHBondContact O-CG2 3Å; T299-V303 PolarHBondContact O-N 2.58Å
300I98Very high94.9Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-62.1-45.5178.7-68.8162.6000110.6L223 T226 E227 L230 L237 M243 F244 N296 L297 R302 V303 F304L223-I300 HydrophobicContact CD2-CG2 4.27Å; T226-I300 HydrophobicContact CG2-CG2 4.21Å; E227-I300 HydrophobicContact CB-CD1 4.06Å; E227-I300 HydrophobicContact CG-CD1 3.95Å; L230-I300 HydrophobicContact CD1-CB 4.44Å; L230-I300 HydrophobicContact CD1-CG1 3.81Å; L237-I300 HydrophobicContact CD1-CD1 4.37Å; L237-I300 HydrophobicContact CD1-CG1 4.42Å; L237-I300 HydrophobicContact CD2-CG1 4.28Å; M243-I300 HydrophobicContact CE-CD1 3.43Å; M243-I300 VanDerWaalsContact CE-CD1 3.43Å; F244-I300 HydrophobicContact CD2-CD1 4.35Å; F244-I300 HydrophobicContact CD2-CG2 4.26Å; F244-I300 HydrophobicContact CE2-CB 4.42Å; F244-I300 HydrophobicContact CE2-CD1 3.97Å; F244-I300 HydrophobicContact CE2-CG2 3.7Å; F244-I300 HydrophobicContact CZ-CG2 4.32Å; N296-I300 VanDerWaalsContact O-CG1 3.29Å; N296-I300 WeakPolarHBondContact O-CG1 3.35Å; N296-I300 PolarHBondContact O-N 2.73Å; L297-I300 PolarHBondContact O-N 3.14Å; I300-R302 VanDerWaalsContact C-N 3.34Å; I300-R302 PolarHBondContact O-N 3.29Å; I300-V303 PolarHBondContact O-N 3.28Å; I300-F304 WeakPolarHBondContact O-CB 3.48Å; I300-F304 PolarHBondContact O-N 3.31Å
301F96.9Very high94.3Very high1 Ų112.4 Ų12.40%0.0046%0.06CC..Hα-helixtrans-65.5-36179.1-75.3-57.3000113I121 V125 L198 M201 L223 F244 L270 L297 A298 T299 T305I121-F301 HydrophobicContact CG2-CB 4.21Å; I121-F301 HydrophobicContact CG2-CD2 3.56Å; I121-F301 HydrophobicContact CG2-CE2 4.33Å; I121-F301 HydrophobicContact CG2-CG 4.17Å; V125-F301 HydrophobicContact CG2-CB 3.83Å; L198-F301 HydrophobicContact CD2-CD2 4.09Å; L198-F301 HydrophobicContact CD2-CE1 4.23Å; L198-F301 HydrophobicContact CD2-CE2 3.75Å; L198-F301 HydrophobicContact CD2-CG 4.47Å; L198-F301 HydrophobicContact CD2-CZ 3.84Å; L198-F301 HydrophobicContact CG-CE1 4.36Å; L198-F301 HydrophobicContact CG-CE2 4.43Å; L198-F301 HydrophobicContact CG-CZ 4.06Å; M201-F301 HydrophobicContact CE-CE2 4.18Å; M201-F301 HydrophobicContact CE-CZ 3.8Å; M201-F301 HydrophobicContact SD-CE2 3.71Å; M201-F301 HydrophobicContact SD-CZ 3.97Å; L223-F301 HydrophobicContact CD2-CD1 4.24Å; L223-F301 HydrophobicContact CD2-CE1 3.97Å; F244-F301 HydrophobicContact CZ-CE1 4.41Å; F244-F301 HydrophobicContact CZ-CZ 4.03Å; L270-F301 HydrophobicContact CD1-CE1 3.38Å; L270-F301 HydrophobicContact CD1-CZ 3.69Å; L297-F301 HydrophobicContact CB-CD2 4.24Å; L297-F301 HydrophobicContact CB-CE2 4.12Å; L297-F301 HydrophobicContact CD2-CE2 4.13Å; L297-F301 WeakPolarHBondContact O-CB 3.45Å; L297-F301 WeakPolarHBondContact O-CD2 3.28Å; L297-F301 PolarHBondContact O-N 3.49Å; A298-F301 PolarHBondContact O-N 2.9Å; T299-F301 PolarHBondContact O-N 3.39Å; F301-T305 VanDerWaalsContact O-CB 3.23Å; F301-T305 WeakPolarHBondContact O-CB 3.34Å; F301-T305 PolarHBondContact O-N 3.16Å; F301-T305 PolarHBondContact O-OG1 3.31Å
302R95.1Very high93.7Very high2 Ų216.9 Ų16.91%0.0089%0.085CC..Hα-helixtrans-61.3-51.3173.3-169.8-171.1-41.7122.414.6111.1L16 C17 S20 D124 V125 S128 L129 A298 T299 I300 T305 A306L16-R302 PolarHBondContact O-NH1 3.47Å; C17-R302 PolarHBondContact O-NH1 3.12Å; S20-R302 PolarHBondContact OG-NH1 3.09Å; S20-R302 PolarHBondContact OG-NH2 2.88Å; D124-R302 IonicContact OD2-NH2 3.6Å; D124-R302 PolarHBondContact OD2-NH2 3.46Å; V125-R302 HydrophobicContact CG2-CB 4.41Å; S128-R302 VanDerWaalsContact OG-CD 3.3Å; S128-R302 WeakPolarHBondContact OG-CD 3.22Å; S128-R302 WeakPolarHBondContact OG-CG 3.47Å; S128-R302 PolarHBondContact OG-NE 2.81Å; L129-R302 HydrophobicContact CD1-CG 4.11Å; L129-R302 HydrophobicContact CD2-CG 3.75Å; L129-R302 HydrophobicContact CG-CG 3.83Å; A298-R302 WeakPolarHBondContact O-CB 3.44Å; A298-R302 PolarHBondContact O-N 2.96Å; T299-R302 PolarHBondContact O-N 2.77Å; I300-R302 VanDerWaalsContact C-N 3.34Å; I300-R302 PolarHBondContact O-N 3.29Å; R302-T305 PolarHBondContact O-N 3.2Å; R302-A306 WeakPolarHBondContact O-CB 3.33Å; R302-A306 PolarHBondContact O-N 3.37Å
303V95.8Very high93.2Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-68.5-40.1-178.81790000111.4I13 L16 T226 L230 T299 I300 T305 A306 R307I13-V303 HydrophobicContact CD1-CG1 3.58Å; L16-V303 HydrophobicContact CB-CG2 3.85Å; L16-V303 HydrophobicContact CD1-CG1 4.38Å; L16-V303 HydrophobicContact CD1-CG2 4.43Å; T226-V303 HydrophobicContact CG2-CB 3.65Å; T226-V303 HydrophobicContact CG2-CG1 3.54Å; L230-V303 HydrophobicContact CD1-CB 4.21Å; L230-V303 HydrophobicContact CD1-CG2 4.07Å; L230-V303 HydrophobicContact CD2-CG2 4.14Å; L230-V303 HydrophobicContact CG-CG2 4.47Å; T299-V303 WeakPolarHBondContact O-CG2 3Å; T299-V303 PolarHBondContact O-N 2.58Å; I300-V303 PolarHBondContact O-N 3.28Å; V303-T305 VanDerWaalsContact C-N 3.34Å; V303-T305 PolarHBondContact O-N 2.84Å; V303-A306 PolarHBondContact O-N 2.97Å; V303-R307 HydrophobicContact CG1-CG 4.32Å; V303-R307 WeakPolarHBondContact O-CB 3.06Å; V303-R307 WeakPolarHBondContact O-CG 3.16Å; V303-R307 PolarHBondContact O-N 3.23Å
304F94.9Very high92.9Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-55.5-49.9172.3162.1-95.8000111L92 L94 V196 V219 I222 L223 I300 A306 R307 Y308L92-F304 HydrophobicContact CD2-CE1 3.98Å; L94-F304 HydrophobicContact CD2-CE1 4.24Å; V196-F304 HydrophobicContact CG2-CE1 4.16Å; V196-F304 HydrophobicContact CG2-CZ 4Å; V219-F304 HydrophobicContact CG1-CE2 3.93Å; V219-F304 HydrophobicContact CG1-CZ 3.65Å; I222-F304 HydrophobicContact CB-CD2 3.69Å; I222-F304 HydrophobicContact CB-CE2 3.82Å; I222-F304 HydrophobicContact CD1-CE2 4.09Å; I222-F304 HydrophobicContact CG2-CD2 3.57Å; I222-F304 HydrophobicContact CG2-CE2 4.12Å; L223-F304 HydrophobicContact CD2-CB 4.02Å; L223-F304 HydrophobicContact CD2-CD1 4.37Å; L223-F304 HydrophobicContact CD2-CD2 3.66Å; L223-F304 HydrophobicContact CD2-CE2 4.24Å; L223-F304 HydrophobicContact CD2-CG 3.75Å; L223-F304 HydrophobicContact CG-CD2 3.79Å; L223-F304 HydrophobicContact CG-CE2 4.05Å; L223-F304 HydrophobicContact CG-CG 4.39Å; I300-F304 WeakPolarHBondContact O-CB 3.48Å; I300-F304 PolarHBondContact O-N 3.31Å; F304-A306 PolarHBondContact O-N 3.24Å; F304-R307 PolarHBondContact O-N 3.13Å; F304-Y308 WeakPolarHBondContact O-CB 2.91Å; F304-Y308 PolarHBondContact O-N 2.96Å
305T90.6Very high92.6Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-62.4-45.8179.6-60.80000110.4L92 V125 L129 V140 F301 R302 V303 R307 Y308 L309L92-T305 HydrophobicContact CD2-CG2 4.32Å; V125-T305 HydrophobicContact CG1-CG2 4.14Å; L129-T305 HydrophobicContact CD1-CG2 3.7Å; V140-T305 HydrophobicContact CG2-CG2 3.85Å; F301-T305 VanDerWaalsContact O-CB 3.23Å; F301-T305 WeakPolarHBondContact O-CB 3.34Å; F301-T305 PolarHBondContact O-N 3.16Å; F301-T305 PolarHBondContact O-OG1 3.31Å; R302-T305 PolarHBondContact O-N 3.2Å; V303-T305 VanDerWaalsContact C-N 3.34Å; V303-T305 PolarHBondContact O-N 2.84Å; T305-R307 PolarHBondContact O-N 3Å; T305-Y308 PolarHBondContact O-N 3.06Å; T305-L309 HydrophobicContact CG2-CD1 3.89Å; T305-L309 VanDerWaalsContact O-CB 3.25Å; T305-L309 WeakPolarHBondContact O-CB 3.45Å; T305-L309 WeakPolarHBondContact O-CG 3.34Å; T305-L309 PolarHBondContact O-N 3.39Å
306A90.5Very high92.3Very high0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-61.1-42.5176.100000112.4F8 L16 L129 R302 V303 F304 L309 K310 I311F8-A306 HydrophobicContact CE2-CB 3.92Å; F8-A306 HydrophobicContact CZ-CB 4.49Å; F8-A306 WeakPolarHBondContact CZ-O 3.29Å; L16-A306 HydrophobicContact CD1-CB 3.7Å; L16-A306 HydrophobicContact CD2-CB 3.78Å; L16-A306 HydrophobicContact CG-CB 4.43Å; L129-A306 HydrophobicContact CD1-CB 4.49Å; L129-A306 HydrophobicContact CD2-CB 4.33Å; R302-A306 WeakPolarHBondContact O-CB 3.33Å; R302-A306 PolarHBondContact O-N 3.37Å; V303-A306 PolarHBondContact O-N 2.97Å; F304-A306 PolarHBondContact O-N 3.24Å; A306-L309 CarbonylContact O-C 3.53Å; A306-L309 PolarHBondContact O-N 2.72Å; A306-K310 CarbonylContact O-C 3.48Å; A306-K310 VanDerWaalsContact O-CA 3.27Å; A306-K310 WeakPolarHBondContact O-CA 3.43Å; A306-K310 PolarHBondContact O-N 3.1Å; A306-I311 HydrophobicContact CB-CB 4.12Å; A306-I311 PolarHBondContact O-N 2.78Å
307R91.3Very high92Very high3 Ų319.1 Ų19.11%0.0119%0.093CC..Hα-helixtrans-65.6-41.6176.8-76.3-178.471.3-178.7-4.3112.4S6 F8 I222 E225 T226 V303 F304 T305 L309 K310S6-R307 PolarHBondContact N-O 2.98Å; S6-R307 PolarHBondContact O-NE 2.98Å; F8-R307 HydrophobicContact CD2-CG 3.42Å; F8-R307 VanDerWaalsContact CD2-CG 3.42Å; F8-R307 HydrophobicContact CE2-CB 4.2Å; F8-R307 HydrophobicContact CE2-CG 3.51Å; F8-R307 HydrophobicContact CG-CG 4.06Å; F8-R307 HydrophobicContact CZ-CG 4.22Å; I222-R307 HydrophobicContact CG2-CB 4.2Å; E225-R307 IonicContact OE2-CZ 2.68Å; E225-R307 IonicContact OE2-NH2 3.08Å; E225-R307 PolarHBondContact OE2-NH2 3.47Å; T226-R307 WeakPolarHBondContact OG1-CD 3.19Å; T226-R307 PolarHBondContact OG1-NH1 3.34Å; V303-R307 HydrophobicContact CG1-CG 4.32Å; V303-R307 WeakPolarHBondContact O-CB 3.06Å; V303-R307 WeakPolarHBondContact O-CG 3.16Å; V303-R307 PolarHBondContact O-N 3.23Å; F304-R307 PolarHBondContact O-N 3.13Å; T305-R307 PolarHBondContact O-N 3Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-K310 PolarHBondContact O-N 2.58Å
308Y87.7Confident91.5Very high4 Ų420.3 Ų20.32%0.01610%0.098CC..Hα-helixtrans-64.1-44.1176.3-165.3-84.1000110.7H3 L92 D193 V219 I222 F304 T305 K310H3-Y308 PolarHBondContact CE1-O 3.29Å; H3-Y308 AromaticContact ND1-CE2 3.81Å; H3-Y308 AromaticContact ND1-CZ 3.8Å; H3-Y308 PolarHBondContact NE2-O 3.27Å; H3-Y308 VanDerWaalsContact NE2-O 3.11Å; L92-Y308 HydrophobicContact CB-CD1 3.75Å; L92-Y308 HydrophobicContact CB-CE1 3.86Å; L92-Y308 HydrophobicContact CD1-CD1 4.14Å; L92-Y308 HydrophobicContact CD1-CD2 4.4Å; L92-Y308 HydrophobicContact CD1-CE1 4.15Å; L92-Y308 HydrophobicContact CD1-CE2 4.41Å; L92-Y308 HydrophobicContact CD1-CG 4.27Å; L92-Y308 HydrophobicContact CD2-CD1 3.9Å; L92-Y308 HydrophobicContact CD2-CG 3.91Å; L92-Y308 HydrophobicContact CG-CD1 4.15Å; L92-Y308 HydrophobicContact CG-CE1 4.45Å; L92-Y308 HydrophobicContact CG-CG 4.48Å; D193-Y308 HydrophobicContact CB-CE1 4.33Å; D193-Y308 VanDerWaalsContact CB-OH 3.29Å; D193-Y308 WeakPolarHBondContact CB-OH 3.46Å; D193-Y308 PolarHBondContact OD2-OH 3.14Å; V219-Y308 HydrophobicContact CB-CE2 4.39Å; V219-Y308 HydrophobicContact CG1-CD2 4.23Å; V219-Y308 HydrophobicContact CG1-CE2 4Å; V219-Y308 HydrophobicContact CG2-CE2 3.65Å; I222-Y308 HydrophobicContact CD1-CD2 3.69Å; I222-Y308 HydrophobicContact CD1-CE2 4.37Å; F304-Y308 WeakPolarHBondContact O-CB 2.91Å; F304-Y308 PolarHBondContact O-N 2.96Å; T305-Y308 PolarHBondContact O-N 3.06Å; Y308-K310 VanDerWaalsContact C-N 3.32Å
309L83.2Confident91.1Very high19 Ų1921.5 Ų21.510%0.09910%0.104CC..Hα-helixtrans-85.7-8-177-68.4-174.9000113L92 A138 K139 V140 T305 A306 R307 I311L92-L309 HydrophobicContact CB-CD2 4.23Å; A138-L309 HydrophobicContact CB-CB 3.94Å; A138-L309 WeakPolarHBondContact CB-O 3.28Å; K139-L309 WeakPolarHBondContact O-CD2 3.26Å; V140-L309 HydrophobicContact CB-CD1 4.07Å; V140-L309 HydrophobicContact CG2-CD1 3.13Å; T305-L309 HydrophobicContact CG2-CD1 3.89Å; T305-L309 VanDerWaalsContact O-CB 3.25Å; T305-L309 WeakPolarHBondContact O-CB 3.45Å; T305-L309 WeakPolarHBondContact O-CG 3.34Å; T305-L309 PolarHBondContact O-N 3.39Å; A306-L309 CarbonylContact O-C 3.53Å; A306-L309 PolarHBondContact O-N 2.72Å; R307-L309 VanDerWaalsContact C-N 3.34Å; L309-I311 VanDerWaalsContact C-N 3.27Å; L309-I311 HydrophobicContact CB-CD1 3.92Å; L309-I311 HydrophobicContact CB-CG1 3.85Å; L309-I311 HydrophobicContact CD1-CD1 4.16Å; L309-I311 PolarHBondContact O-N 2.85Å
310K85.8Confident90.6Very high110 Ų11022.7 Ų22.748%0.47811%0.11SC..THydrogen-bonded Turntrans59.438.2-174.8-42.1-170.5174.7-175.30112.5K4 S6 A306 R307 Y308K4-K310 VanDerWaalsContact O-CE 3.3Å; K4-K310 WeakPolarHBondContact O-CE 3.23Å; S6-K310 WeakPolarHBondContact OG-CB 3.28Å; S6-K310 WeakPolarHBondContact OG-CD 3.41Å; S6-K310 VanDerWaalsContact OG-CG 3.24Å; S6-K310 WeakPolarHBondContact OG-CG 3.32Å; A306-K310 CarbonylContact O-C 3.48Å; A306-K310 VanDerWaalsContact O-CA 3.27Å; A306-K310 WeakPolarHBondContact O-CA 3.43Å; A306-K310 PolarHBondContact O-N 3.1Å; R307-K310 PolarHBondContact O-N 2.58Å; Y308-K310 VanDerWaalsContact C-N 3.32Å
311I84.2Confident90Very high6 Ų624.5 Ų24.53%0.03112%0.118CC..  trans-76.1121.3174.9-61.7170.9000108.5F8 Q12 L129 A133 A138 A306 L309 I313F8-I311 WeakPolarHBondContact CZ-O 3.33Å; Q12-I311 PolarHBondContact NE2-O 2.92Å; L129-I311 HydrophobicContact CB-CD1 4.47Å; L129-I311 HydrophobicContact CD1-CD1 4.36Å; A133-I311 HydrophobicContact CB-CD1 4.01Å; A138-I311 HydrophobicContact CB-CG1 4.29Å; A306-I311 HydrophobicContact CB-CB 4.12Å; A306-I311 PolarHBondContact O-N 2.78Å; L309-I311 VanDerWaalsContact C-N 3.27Å; L309-I311 HydrophobicContact CB-CD1 3.92Å; L309-I311 HydrophobicContact CB-CG1 3.85Å; L309-I311 HydrophobicContact CD1-CD1 4.16Å; L309-I311 PolarHBondContact O-N 2.85Å; I311-I313 HydrophobicContact CG2-CG2 4.21Å
312I86.3Confident89.5Confident128 Ų12826.4 Ų26.466%0.65613%0.128SC*.  trans-110.4141.6177.8-58.6179.4000108.4F8F8-I312 HydrophobicContact CE1-CG1 4.44Å
313I88Confident88.9Confident45 Ų4528.6 Ų28.623%0.23114%0.138CC..  trans-134.10-178.471169.6000112.1Q12 R15 L16 L19 Y132 I311Q12-I313 VanDerWaalsContact NE2-N 3.15Å; Q12-I313 VanDerWaalsContact OE1-N 3.1Å; Q12-I313 PolarHBondContact OE1-O 3.22Å; Q12-I313 VanDerWaalsContact OE1-O 3.05Å; R15-I313 HydrophobicContact CB-CD1 3.53Å; R15-I313 HydrophobicContact CB-CG1 3.56Å; R15-I313 WeakPolarHBondContact CD-O 3.41Å; R15-I313 VanDerWaalsContact NH1-C 3.32Å; R15-I313 PolarHBondContact NH1-O 3.07Å; R15-I313 PolarHBondContact NH1-OXT 3.09Å; R15-I313 VanDerWaalsContact NH1-OXT 3.13Å; L16-I313 HydrophobicContact CD2-CD1 3.9Å; L16-I313 HydrophobicContact CD2-CG1 4.29Å; L16-I313 HydrophobicContact CD2-CG2 4.38Å; L16-I313 HydrophobicContact CG-CD1 4.08Å; L16-I313 HydrophobicContact CG-CG1 4.31Å; L19-I313 HydrophobicContact CD1-CD1 3.87Å; L19-I313 HydrophobicContact CG-CD1 4.19Å; Y132-I313 HydrophobicContact CD1-CB 3.92Å; Y132-I313 HydrophobicContact CD1-CG2 3.3Å; Y132-I313 HydrophobicContact CD2-CG2 3.75Å; Y132-I313 HydrophobicContact CE1-CB 3.83Å; Y132-I313 HydrophobicContact CE1-CG2 3.66Å; Y132-I313 HydrophobicContact CE2-CG2 4.09Å; Y132-I313 HydrophobicContact CG-CB 4.39Å; Y132-I313 HydrophobicContact CG-CG2 3.32Å; I311-I313 HydrophobicContact CG2-CG2 4.21Å

Retrieved 313 of 313 residues in 413.3 ms (Link to these results)

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