A0A3Q0KQT5_SCHMA Loading...

Lipoma hmgic fusion partner-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KQT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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
1M60.7Low77.8Confident185 Ų18589.4 Ų89.491%0.91144%0.44SS*.  0-55.30-60.6-173.6-173.800113.3R3 I4 I5M1-R3 PolarHBondContact O-N 2.82Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-I5 PolarHBondContact O-N 3.04Å
2P69.9Low78.8Confident93 Ų9389.4 Ų89.460%0.60444%0.442SS*.Hα-helixtrans-61.8-36.5-175.420.8-31.6000114.2I4 I5 L6P2-I4 PolarHBondContact O-N 3.27Å; P2-I5 PolarHBondContact O-N 3.3Å; P2-L6 PolarHBondContact O-N 3.19Å
3R69.5Low79.8Confident111 Ų11182.5 Ų82.542%0.41941%0.408SS..Hα-helixtrans-62.4-38.5176.4-70.5-171.6-179.5-171.5-1.9113.8M1 L6 S7 Q262 N266M1-R3 PolarHBondContact O-N 2.82Å; R3-L6 PolarHBondContact O-N 3.37Å; R3-S7 WeakPolarHBondContact O-CB 3.39Å; R3-S7 PolarHBondContact O-N 3.35Å; R3-Q262 PolarHBondContact NH2-O 2.89Å; R3-N266 PolarHBondContact NH1-ND2 3.47Å; R3-N266 PolarHBondContact NH2-ND2 3.06Å
4I76Confident80.6Confident97 Ų9778.3 Ų78.350%0.49739%0.387SS..Hα-helixtrans-63.6-52.2178.3-62.5166.8000107.7M1 P2 L6 S7 W8M1-I4 PolarHBondContact O-N 3.35Å; P2-I4 PolarHBondContact O-N 3.27Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 2.83Å; I4-S7 WeakPolarHBondContact O-CB 3.28Å; I4-S7 PolarHBondContact O-N 2.92Å; I4-W8 PolarHBondContact O-N 3Å
5I79.5Confident81.3Confident105 Ų10577.6 Ų77.654%0.53839%0.389SS..Hα-helixtrans-54.7-45.9179.3-60.2168.6000111.2M1 P2 S7 W8 I9M1-I5 PolarHBondContact O-N 3.04Å; P2-I5 PolarHBondContact O-N 3.3Å; I5-S7 PolarHBondContact O-N 3.3Å; I5-W8 PolarHBondContact O-N 3.48Å; I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 HydrophobicContact CG2-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.22Å; I5-I9 PolarHBondContact O-N 3.16Å
6L76.1Confident82.1Confident35 Ų3574.6 Ų74.618%0.18338%0.377CS..Hα-helixtrans-60.4-43.6177.4-174.664.4000112.6P2 R3 I4 W8 I9 L10 S253 I254P2-L6 PolarHBondContact O-N 3.19Å; R3-L6 PolarHBondContact O-N 3.37Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 2.83Å; L6-W8 VanDerWaalsContact C-N 3.33Å; L6-W8 PolarHBondContact O-N 3.1Å; L6-I9 PolarHBondContact O-N 2.67Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 3.39Å; L6-L10 VanDerWaalsContact O-N 3.07Å; L6-S253 WeakPolarHBondContact CD1-OG 2.96Å; L6-I254 HydrophobicContact CD1-CG1 4.01Å; L6-I254 HydrophobicContact CD2-CG1 4.25Å
7S80.9Confident82.9Confident38 Ų3870.2 Ų70.227%0.26636%0.355SS..Hα-helixtrans-62.5-39.4177.3-1750000112.3R3 I4 I5 L11 F272R3-S7 WeakPolarHBondContact O-CB 3.39Å; R3-S7 PolarHBondContact O-N 3.35Å; I4-S7 WeakPolarHBondContact O-CB 3.28Å; I4-S7 PolarHBondContact O-N 2.92Å; I5-S7 PolarHBondContact O-N 3.3Å; S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 3.07Å; S7-F272 WeakPolarHBondContact OG-CE1 3.45Å
8W85.9Confident83.5Confident169 Ų16970.7 Ų70.764%0.6435%0.354SS*.Hα-helixtrans-69.2-43.1178.1-80.177.4000111.7I4 I5 L6 L10 L11 I12I4-W8 PolarHBondContact O-N 3Å; I5-W8 PolarHBondContact O-N 3.48Å; L6-W8 VanDerWaalsContact C-N 3.33Å; L6-W8 PolarHBondContact O-N 3.1Å; W8-L10 VanDerWaalsContact C-N 3.29Å; W8-L10 PolarHBondContact O-N 3.16Å; W8-L11 PolarHBondContact O-N 2.81Å; W8-I12 WeakPolarHBondContact O-CB 3.08Å; W8-I12 WeakPolarHBondContact O-CD1 3.22Å; W8-I12 VanDerWaalsContact O-CG1 3.23Å; W8-I12 WeakPolarHBondContact O-CG1 3.44Å; W8-I12 PolarHBondContact O-N 3.38Å
9I85.6Confident84.1Confident64 Ų6472.2 Ų72.233%0.32836%0.363SS..Hα-helixtrans-58.8-44.3176.3-66.3165.9000110.5I5 L6 I12 W13 V250I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 HydrophobicContact CG2-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.3Å; I5-I9 WeakPolarHBondContact O-CG1 3.22Å; I5-I9 PolarHBondContact O-N 3.16Å; L6-I9 PolarHBondContact O-N 2.67Å; I9-I12 PolarHBondContact O-N 3.03Å; I9-W13 PolarHBondContact O-N 3.02Å; I9-V250 HydrophobicContact CG2-CG2 3.92Å
10L85.2Confident84.7Confident1 Ų168.6 Ų68.61%0.00535%0.345CS..Hα-helixtrans-67.5-39.4179.7-173147000112.1L6 W8 W13 I14 F178 V250 I254 V271 F272L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 3.39Å; L6-L10 VanDerWaalsContact O-N 3.07Å; W8-L10 VanDerWaalsContact C-N 3.29Å; W8-L10 PolarHBondContact O-N 3.16Å; L10-W13 PolarHBondContact O-N 3.2Å; L10-I14 HydrophobicContact CD2-CD1 3.51Å; L10-I14 HydrophobicContact CD2-CG1 4.26Å; L10-I14 HydrophobicContact CG-CD1 4.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.24Å; L10-F178 HydrophobicContact CD1-CE1 3.62Å; L10-F178 HydrophobicContact CD1-CE2 4.27Å; L10-F178 HydrophobicContact CD1-CZ 3.32Å; L10-F178 HydrophobicContact CG-CE1 4.03Å; L10-F178 HydrophobicContact CG-CZ 4.18Å; L10-V250 HydrophobicContact CD1-CG1 4.23Å; L10-I254 HydrophobicContact CD1-CD1 4.06Å; L10-V271 HydrophobicContact CD1-CG1 3.85Å; L10-F272 HydrophobicContact CD2-CD2 4.49Å; L10-F272 HydrophobicContact CD2-CE1 4.43Å; L10-F272 HydrophobicContact CD2-CE2 3.31Å; L10-F272 HydrophobicContact CD2-CZ 3.29Å
11L86.6Confident85.3Confident85 Ų8565.3 Ų65.345%0.44533%0.329SS..Hα-helixtrans-65.9-39.5175-172.5143.1000112.1S7 W8 W13 I14 T15S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 3.07Å; W8-L11 PolarHBondContact O-N 2.81Å; L11-W13 VanDerWaalsContact C-N 3.33Å; L11-I14 PolarHBondContact O-N 3.43Å; L11-T15 HydrophobicContact CD2-CG2 4.31Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 PolarHBondContact O-OG1 2.98Å
12I89.7Confident87Confident90 Ų9060.3 Ų60.346%0.46231%0.305SS..Hα-helixtrans-62.2-43.2173.2-69.7161.3000110.2W8 I9 T15 C16W8-I12 WeakPolarHBondContact O-CB 3.08Å; W8-I12 WeakPolarHBondContact O-CD1 3.22Å; W8-I12 VanDerWaalsContact O-CG1 3.23Å; W8-I12 WeakPolarHBondContact O-CG1 3.44Å; W8-I12 PolarHBondContact O-N 3.38Å; I9-I12 PolarHBondContact O-N 3.03Å; I12-T15 PolarHBondContact O-OG1 3.44Å; I12-C16 WeakPolarHBondContact O-CB 3.44Å; I12-C16 PolarHBondContact O-N 3.03Å
13W91.4Very high88.3Confident0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-62.8-48.3176.8176.771.9000112.3I9 L10 L11 T15 C16 A17 I163 F178 T181 L185 S243 L246 S247 V250I9-W13 PolarHBondContact O-N 3.02Å; L10-W13 PolarHBondContact O-N 3.2Å; L11-W13 VanDerWaalsContact C-N 3.33Å; W13-T15 PolarHBondContact O-N 2.95Å; W13-C16 PolarHBondContact O-N 3.07Å; W13-A17 VanDerWaalsContact O-CB 3.24Å; W13-A17 WeakPolarHBondContact O-CB 3.48Å; W13-A17 PolarHBondContact O-N 2.9Å; W13-I163 HydrophobicContact CH2-CG1 4.11Å; W13-F178 HydrophobicContact CE3-CD1 4.04Å; W13-F178 HydrophobicContact CE3-CE1 4.04Å; W13-F178 HydrophobicContact CH2-CD1 4.01Å; W13-F178 AromaticContact CZ3-CD1 3.63Å; W13-F178 HydrophobicContact CZ3-CD1 3.63Å; W13-F178 AromaticContact CZ3-CE1 3.73Å; W13-F178 HydrophobicContact CZ3-CE1 3.73Å; W13-T181 HydrophobicContact CH2-CG2 4.47Å; W13-T181 WeakPolarHBondContact CH2-OG1 3.3Å; W13-L185 HydrophobicContact CZ2-CD1 4.38Å; W13-S243 PolarHBondContact NE1-O 3.42Å; W13-L246 HydrophobicContact CB-CD2 3.73Å; W13-L246 HydrophobicContact CB-CG 4.01Å; W13-L246 HydrophobicContact CG-CD2 4.16Å; W13-L246 HydrophobicContact CG-CG 4.13Å; W13-S247 WeakPolarHBondContact CZ2-OG 3.46Å; W13-V250 HydrophobicContact CB-CG2 4.05Å; W13-V250 HydrophobicContact CG-CG2 4.19Å
14I91.3Very high89.7Confident23 Ų2353.5 Ų53.512%0.11827%0.271CS..Hα-helixtrans-59.4-47179.1-70.3176.4000110.8L10 L11 A17 F18 I163 L167 F272L10-I14 HydrophobicContact CD2-CD1 3.51Å; L10-I14 HydrophobicContact CD2-CG1 4.26Å; L10-I14 HydrophobicContact CG-CD1 4.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.24Å; L11-I14 PolarHBondContact O-N 3.43Å; I14-A17 PolarHBondContact O-N 3.03Å; I14-F18 VanDerWaalsContact O-CB 3.25Å; I14-F18 WeakPolarHBondContact O-CB 3.34Å; I14-F18 PolarHBondContact O-N 3.45Å; I14-I163 HydrophobicContact CG1-CG2 4.47Å; I14-I163 HydrophobicContact CG2-CG2 4Å; I14-L167 HydrophobicContact CD1-CD2 3.85Å; I14-F272 HydrophobicContact CD1-CE2 4.32Å
15T92.1Very high90.6Very high68 Ų6850.5 Ų50.542%0.41726%0.256SS..Hα-helixtrans-66.7-42.7-178.752.10000111.8L11 I12 W13 F18 L19L11-T15 HydrophobicContact CD2-CG2 4.31Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 PolarHBondContact O-OG1 2.98Å; I12-T15 PolarHBondContact O-OG1 3.44Å; W13-T15 PolarHBondContact O-N 2.95Å; T15-F18 PolarHBondContact O-N 3.3Å; T15-L19 WeakPolarHBondContact O-CB 3.4Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 2.99Å
16C93.4Very high91.4Very high29 Ų2948.4 Ų48.420%0.19625%0.25CS..Hα-helixtrans-62.2-44.8175.1-170.40000112.1I12 W13 S20I12-C16 WeakPolarHBondContact O-CB 3.44Å; I12-C16 PolarHBondContact O-N 3.03Å; W13-C16 PolarHBondContact O-N 3.07Å; C16-S20 VanDerWaalsContact O-CB 3.3Å; C16-S20 WeakPolarHBondContact O-CB 3.34Å; C16-S20 PolarHBondContact O-N 2.98Å; C16-S20 PolarHBondContact O-OG 3.26Å
17A95.3Very high92.4Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-64.5-43.5177.700000111.6W13 I14 S20 I21 I163 L185W13-A17 VanDerWaalsContact O-CB 3.24Å; W13-A17 WeakPolarHBondContact O-CB 3.48Å; W13-A17 PolarHBondContact O-N 2.9Å; I14-A17 PolarHBondContact O-N 3.03Å; A17-S20 WeakPolarHBondContact CA-OG 3.5Å; A17-S20 PolarHBondContact O-N 3.24Å; A17-S20 PolarHBondContact O-OG 3.32Å; A17-I21 WeakPolarHBondContact O-CB 3.41Å; A17-I21 WeakPolarHBondContact O-CD1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.4Å; A17-I21 PolarHBondContact O-N 3.18Å; A17-I163 HydrophobicContact CB-CD1 3.82Å; A17-L185 HydrophobicContact CB-CD1 4.42Å
18F94.2Very high93.1Very high79 Ų7945 Ų4535%0.34623%0.229SC..Hα-helixtrans-63.2-48.2177.9-170.3-89.5000112I14 T15 S20 I21 L22 F160I14-F18 VanDerWaalsContact O-CB 3.25Å; I14-F18 WeakPolarHBondContact O-CB 3.34Å; I14-F18 PolarHBondContact O-N 3.45Å; T15-F18 PolarHBondContact O-N 3.3Å; F18-S20 PolarHBondContact O-N 3.36Å; F18-I21 PolarHBondContact O-N 3.28Å; F18-L22 HydrophobicContact CD1-CD1 3.65Å; F18-L22 HydrophobicContact CD1-CG 4.23Å; F18-L22 HydrophobicContact CE1-CD1 3.27Å; F18-L22 HydrophobicContact CE1-CG 4.1Å; F18-L22 HydrophobicContact CZ-CD1 4.1Å; F18-L22 WeakPolarHBondContact O-CG 3.38Å; F18-L22 PolarHBondContact O-N 3.35Å; F18-F160 AromaticContact CD2-CD2 3.97Å; F18-F160 HydrophobicContact CD2-CD2 3.97Å; F18-F160 AromaticContact CD2-CE2 3.31Å; F18-F160 HydrophobicContact CD2-CE2 3.31Å; F18-F160 AromaticContact CD2-CZ 3.95Å; F18-F160 HydrophobicContact CD2-CZ 3.95Å; F18-F160 HydrophobicContact CE1-CE2 4.49Å; F18-F160 HydrophobicContact CE2-CD2 4.03Å; F18-F160 HydrophobicContact CE2-CE1 4.35Å; F18-F160 AromaticContact CE2-CE2 2.96Å; F18-F160 HydrophobicContact CE2-CE2 2.96Å; F18-F160 AromaticContact CE2-CZ 3.17Å; F18-F160 HydrophobicContact CE2-CZ 3.17Å; F18-F160 HydrophobicContact CG-CE2 4.24Å; F18-F160 AromaticContact CZ-CE2 3.62Å; F18-F160 HydrophobicContact CZ-CE2 3.62Å; F18-F160 AromaticContact CZ-CZ 3.77Å; F18-F160 HydrophobicContact CZ-CZ 3.77Å
19L95.2Very high93.5Very high100 Ų10040.4 Ų40.452%0.52422%0.217SC..Hα-helixtrans-62.7-43178.3-73.6168.4000111.7T15 L22 I23T15-L19 WeakPolarHBondContact O-CB 3.4Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 3.1Å; L19-I23 WeakPolarHBondContact O-CB 3.49Å; L19-I23 WeakPolarHBondContact O-CD1 3.34Å; L19-I23 VanDerWaalsContact O-CG1 3.23Å; L19-I23 WeakPolarHBondContact O-CG1 3.18Å; L19-I23 PolarHBondContact O-N 3.44Å
20S96.5Very high93.8Very high0 Ų037.8 Ų37.80%021%0.205CC..Hα-helixtrans-65-41.1178.958.90000112.6C16 A17 F18 T24C16-S20 VanDerWaalsContact O-CB 3.3Å; C16-S20 WeakPolarHBondContact O-CB 3.34Å; C16-S20 PolarHBondContact O-N 2.98Å; C16-S20 PolarHBondContact O-OG 3.26Å; A17-S20 WeakPolarHBondContact CA-OG 3.5Å; A17-S20 PolarHBondContact O-N 3.24Å; A17-S20 PolarHBondContact O-OG 3.32Å; F18-S20 PolarHBondContact O-N 3.36Å; S20-T24 VanDerWaalsContact O-CB 3.3Å; S20-T24 WeakPolarHBondContact O-CB 3.5Å; S20-T24 PolarHBondContact O-N 3.41Å; S20-T24 PolarHBondContact O-OG1 3.3Å
21I97.3Very high94.1Very high0 Ų038.6 Ų38.60%021%0.21CC..Hα-helixtrans-59.2-49.5172.7-69.4166000110.5A17 F18 T24 I25 L156 F160 I163 L185 L240A17-I21 WeakPolarHBondContact O-CB 3.41Å; A17-I21 WeakPolarHBondContact O-CD1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.4Å; A17-I21 PolarHBondContact O-N 3.18Å; F18-I21 PolarHBondContact O-N 3.28Å; I21-T24 PolarHBondContact O-N 3.24Å; I21-I25 HydrophobicContact CG2-CD1 3.55Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CB 3.34Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.49Å; I21-L156 HydrophobicContact CG1-CD2 4.36Å; I21-L156 HydrophobicContact CG2-CB 4.27Å; I21-F160 HydrophobicContact CD1-CB 4.26Å; I21-F160 HydrophobicContact CD1-CD2 4.44Å; I21-F160 HydrophobicContact CG2-CD2 4.19Å; I21-I163 HydrophobicContact CD1-CD1 3.6Å; I21-L185 HydrophobicContact CD1-CD2 3.98Å; I21-L185 HydrophobicContact CG1-CD2 4.06Å; I21-L240 HydrophobicContact CG1-CD2 4.01Å
22L96.4Very high94.4Very high79 Ų7938.8 Ų38.841%0.41421%0.205SC..Hα-helixtrans-63.8-44.8-178.3-73-177.3000112.8F18 L19 T24 S26F18-L22 HydrophobicContact CD1-CD1 3.65Å; F18-L22 HydrophobicContact CD1-CG 4.23Å; F18-L22 HydrophobicContact CE1-CD1 3.27Å; F18-L22 HydrophobicContact CE1-CG 4.1Å; F18-L22 HydrophobicContact CZ-CD1 4.1Å; F18-L22 WeakPolarHBondContact O-CG 3.38Å; F18-L22 PolarHBondContact O-N 3.35Å; L19-L22 PolarHBondContact O-N 3.1Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.05Å; L22-S26 VanDerWaalsContact O-CB 3.23Å; L22-S26 WeakPolarHBondContact O-CB 3.33Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 3.04Å
23I96.8Very high94.7Very high61 Ų6134.8 Ų34.831%0.31318%0.184SC..Hα-helixtrans-60.5-44.3176.7-69.5164.9000110.1L19 S26 S27 A232 L239L19-I23 WeakPolarHBondContact O-CB 3.49Å; L19-I23 WeakPolarHBondContact O-CD1 3.34Å; L19-I23 VanDerWaalsContact O-CG1 3.23Å; L19-I23 WeakPolarHBondContact O-CG1 3.18Å; L19-I23 PolarHBondContact O-N 3.44Å; I23-S26 PolarHBondContact O-OG 3.32Å; I23-S27 VanDerWaalsContact O-CB 3.23Å; I23-S27 WeakPolarHBondContact O-CB 3.07Å; I23-S27 PolarHBondContact O-N 2.85Å; I23-A232 HydrophobicContact CG2-CB 4.5Å; I23-A232 WeakPolarHBondContact CG2-O 2.92Å; I23-L239 HydrophobicContact CD1-CD1 4.23Å
24T97.5Very high94.8Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-67.5-50.3-178.2-52.90000111.3S20 I21 L22 S27 F28 L156 L192 G236 L240S20-T24 VanDerWaalsContact O-CB 3.3Å; S20-T24 WeakPolarHBondContact O-CB 3.5Å; S20-T24 PolarHBondContact O-N 3.41Å; S20-T24 PolarHBondContact O-OG1 3.3Å; I21-T24 PolarHBondContact O-N 3.24Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.05Å; T24-S27 PolarHBondContact O-N 2.94Å; T24-F28 HydrophobicContact CG2-CD2 4.01Å; T24-F28 HydrophobicContact CG2-CE2 3.99Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 3Å; T24-F28 VanDerWaalsContact O-N 3.11Å; T24-L156 HydrophobicContact CG2-CD1 3.89Å; T24-L192 HydrophobicContact CG2-CD1 3.78Å; T24-G236 VanDerWaalsContact OG1-CA 3.26Å; T24-G236 WeakPolarHBondContact OG1-CA 3.34Å; T24-L240 HydrophobicContact CG2-CD1 3.91Å; T24-L240 WeakPolarHBondContact OG1-CD1 3.37Å
25I96.4Very high94.8Very high35 Ų3535.3 Ų35.318%0.17919%0.187CC..Hα-helixtrans-59.9-51.5178.7-71.3178.6000110.2I21 S27 F28 L29 L156I21-I25 HydrophobicContact CG2-CD1 3.55Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CB 3.34Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.49Å; I25-S27 PolarHBondContact O-N 2.9Å; I25-F28 PolarHBondContact O-N 3.13Å; I25-F28 VanDerWaalsContact O-N 3.16Å; I25-L29 HydrophobicContact CB-CD1 4.47Å; I25-L29 HydrophobicContact CG2-CD1 3.46Å; I25-L29 VanDerWaalsContact CG2-CD1 3.46Å; I25-L29 WeakPolarHBondContact O-CD1 3.47Å; I25-L29 PolarHBondContact O-N 3.36Å; I25-L156 HydrophobicContact CD1-CB 4.17Å; I25-L156 HydrophobicContact CG1-CB 4.43Å; I25-L156 HydrophobicContact CG1-CD1 4.19Å
26S95.7Very high94.7Very high60 Ų6033.9 Ų33.942%0.4217%0.174SC..Hα-helixtrans-59.2-35.8-179.859.20000113L22 I23 S30L22-S26 VanDerWaalsContact O-CB 3.23Å; L22-S26 WeakPolarHBondContact O-CB 3.33Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 3.04Å; I23-S26 PolarHBondContact O-OG 3.32Å; S26-S30 VanDerWaalsContact O-CB 3.27Å; S26-S30 WeakPolarHBondContact O-CB 3.4Å; S26-S30 PolarHBondContact O-N 2.9Å
27S96.6Very high94.3Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-65.8-45.4175.2167.60000113.1I23 T24 I25 S30 W33 A229 S233I23-S27 VanDerWaalsContact O-CB 3.23Å; I23-S27 WeakPolarHBondContact O-CB 3.07Å; I23-S27 PolarHBondContact O-N 2.85Å; T24-S27 PolarHBondContact O-N 2.94Å; I25-S27 PolarHBondContact O-N 2.9Å; S27-S30 VanDerWaalsContact O-CB 3.3Å; S27-S30 WeakPolarHBondContact O-CB 3.41Å; S27-S30 PolarHBondContact O-N 3.29Å; S27-W33 PolarHBondContact O-NE1 3.07Å; S27-A229 PolarHBondContact OG-O 2.66Å; S27-S233 WeakPolarHBondContact OG-CA 3.36Å; S27-S233 WeakPolarHBondContact OG-CB 3.43Å; S27-S233 PolarHBondContact OG-N 3.5Å; S27-S233 VanDerWaalsContact OG-N 3.15Å
28F95.5Very high93.3Very high1 Ų138.9 Ų38.90%0.00420%0.196CC..Hα-helixtrans-71-32.8179.2-85.1-84.4000113.4T24 I25 S30 W33 P92 W93 L192 I196T24-F28 HydrophobicContact CG2-CD2 4.01Å; T24-F28 HydrophobicContact CG2-CE2 3.99Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 3Å; T24-F28 VanDerWaalsContact O-N 3.11Å; I25-F28 PolarHBondContact O-N 3.13Å; I25-F28 VanDerWaalsContact O-N 3.16Å; F28-S30 VanDerWaalsContact C-N 3.26Å; F28-W33 HydrophobicContact CD1-CH2 4.46Å; F28-W33 HydrophobicContact CD1-CZ2 4.03Å; F28-W33 HydrophobicContact CE1-CH2 4.11Å; F28-W33 HydrophobicContact CE1-CZ2 4.14Å; F28-W33 HydrophobicContact CG-CZ2 4.33Å; F28-W33 HydrophobicContact CZ-CH2 4.34Å; F28-P92 HydrophobicContact CD1-CB 4.41Å; F28-P92 HydrophobicContact CD1-CG 4.16Å; F28-W93 HydrophobicContact CB-CZ2 4.3Å; F28-L192 HydrophobicContact CD2-CD2 4.21Å; F28-L192 HydrophobicContact CE1-CD2 4.32Å; F28-L192 HydrophobicContact CE2-CB 4.32Å; F28-L192 HydrophobicContact CE2-CD2 3.75Å; F28-L192 HydrophobicContact CE2-CG 4.44Å; F28-L192 HydrophobicContact CZ-CB 4.27Å; F28-L192 HydrophobicContact CZ-CD2 3.79Å; F28-I196 HydrophobicContact CE1-CG1 4.18Å; F28-I196 HydrophobicContact CE2-CD1 4.33Å; F28-I196 HydrophobicContact CE2-CG1 4.47Å; F28-I196 HydrophobicContact CZ-CD1 3.89Å; F28-I196 HydrophobicContact CZ-CG1 3.57Å
29L93.9Very high92Very high73 Ų7338.1 Ų38.138%0.38220%0.197SC..Hα-helixtrans-72.8-20.8171.7-81.686000112.5I25 W93 F94I25-L29 HydrophobicContact CB-CD1 4.47Å; I25-L29 HydrophobicContact CG2-CD1 3.46Å; I25-L29 VanDerWaalsContact CG2-CD1 3.46Å; I25-L29 WeakPolarHBondContact O-CD1 3.47Å; I25-L29 PolarHBondContact O-N 3.36Å; L29-W93 HydrophobicContact CD1-CE3 3.91Å; L29-W93 HydrophobicContact CD1-CH2 4.16Å; L29-W93 HydrophobicContact CD1-CZ3 3.33Å; L29-W93 HydrophobicContact CG-CE3 3.82Å; L29-W93 HydrophobicContact CG-CZ3 3.71Å; L29-F94 HydrophobicContact CB-CE2 4.25Å; L29-F94 HydrophobicContact CD2-CE2 4.41Å; L29-F94 HydrophobicContact CG-CE2 4.08Å; L29-F94 WeakPolarHBondContact O-CD2 3.2Å
30S93.6Very high90.4Very high10 Ų1038 Ų387%0.0721%0.205CC..  trans-69.7133.4-179.7-179.60000111.1S26 S27 F28 Y32 W33 W228S26-S30 VanDerWaalsContact O-CB 3.27Å; S26-S30 WeakPolarHBondContact O-CB 3.4Å; S26-S30 PolarHBondContact O-N 2.9Å; S27-S30 VanDerWaalsContact O-CB 3.3Å; S27-S30 WeakPolarHBondContact O-CB 3.41Å; S27-S30 PolarHBondContact O-N 3.29Å; F28-S30 VanDerWaalsContact C-N 3.26Å; S30-Y32 PolarHBondContact O-N 3.07Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.44Å; S30-Y32 PolarHBondContact OG-N 3.41Å; S30-W33 PolarHBondContact O-NE1 3.39Å; S30-W228 WeakPolarHBondContact OG-CZ2 3.3Å
31P91.2Very high88.7Confident17 Ų1745.4 Ų45.411%0.1124%0.24CC..SBendtrans-77-9.1173.235.4-39.2000112.3W33 S89 I90 G91 F94 C96P31-W33 PolarHBondContact O-N 3.46Å; P31-S89 WeakPolarHBondContact O-CB 3.28Å; P31-I90 CarbonylContact O-C 3.48Å; P31-I90 PolarHBondContact O-N 2.9Å; P31-G91 PolarHBondContact O-N 3.28Å; P31-F94 HydrophobicContact CB-CB 4.4Å; P31-C96 HydrophobicContact CB-CB 4.3Å; P31-C96 HydrophobicContact CG-CB 4.37Å; P31-C96 VanDerWaalsContact CG-SG 3.54Å
32Y93.1Very high87Confident90 Ų9046 Ų4635%0.35324%0.243SC..THydrogen-bonded Turntrans-81.846-172.3-61.4-80.1000113.3S30 I35 G227 W228 A229S30-Y32 PolarHBondContact O-N 3.07Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.44Å; S30-Y32 PolarHBondContact OG-N 3.41Å; Y32-I35 HydrophobicContact CD1-CD1 3.96Å; Y32-I35 HydrophobicContact CD1-CG1 4.27Å; Y32-G227 CarbonylContact O-C 3.56Å; Y32-G227 VanDerWaalsContact O-CA 3.23Å; Y32-G227 WeakPolarHBondContact O-CA 3.26Å; Y32-W228 HydrophobicContact CD2-CZ2 4.26Å; Y32-W228 AromaticContact CD2-NE1 3.81Å; Y32-W228 AromaticContact CG-NE1 3.75Å; Y32-W228 PolarHBondContact O-N 2.91Å; Y32-A229 VanDerWaalsContact O-CB 3.32Å; Y32-A229 WeakPolarHBondContact O-CB 3.26Å; Y32-A229 PolarHBondContact O-N 2.9Å
33W94.8Very high85.1Confident5 Ų548.6 Ų48.62%0.01925%0.248CC..THydrogen-bonded Turntrans-87.3-55.3172-72.861.2000111.5S27 F28 S30 P31 I90 P92 I196 W199 V226 G227 A229 P230 S233S27-W33 PolarHBondContact O-NE1 3.07Å; F28-W33 HydrophobicContact CD1-CH2 4.46Å; F28-W33 HydrophobicContact CD1-CZ2 4.03Å; F28-W33 HydrophobicContact CE1-CH2 4.11Å; F28-W33 HydrophobicContact CE1-CZ2 4.14Å; F28-W33 HydrophobicContact CG-CZ2 4.33Å; F28-W33 HydrophobicContact CZ-CH2 4.34Å; S30-W33 PolarHBondContact O-NE1 3.39Å; P31-W33 PolarHBondContact O-N 3.46Å; W33-I90 WeakPolarHBondContact CB-O 3.2Å; W33-P92 VanDerWaalsContact CD1-CD 3.41Å; W33-P92 HydrophobicContact CD2-CG 3.86Å; W33-P92 VanDerWaalsContact CE2-CD 3.49Å; W33-P92 HydrophobicContact CE3-CG 4.17Å; W33-P92 HydrophobicContact CG-CG 4.4Å; W33-P92 HydrophobicContact CH2-CG 4.29Å; W33-P92 HydrophobicContact CZ2-CG 3.94Å; W33-P92 HydrophobicContact CZ3-CG 4.39Å; W33-I196 HydrophobicContact CH2-CD1 4.28Å; W33-I196 HydrophobicContact CH2-CG1 4.04Å; W33-W199 HydrophobicContact CB-CH2 3.68Å; W33-W199 HydrophobicContact CB-CZ2 4.45Å; W33-W199 HydrophobicContact CB-CZ3 4Å; W33-W199 HydrophobicContact CD2-CZ3 4.46Å; W33-W199 HydrophobicContact CE3-CD2 4.48Å; W33-W199 AromaticContact CE3-CE3 3.85Å; W33-W199 HydrophobicContact CE3-CE3 3.85Å; W33-W199 HydrophobicContact CE3-CH2 4.45Å; W33-W199 AromaticContact CE3-CZ3 3.82Å; W33-W199 HydrophobicContact CE3-CZ3 3.82Å; W33-W199 HydrophobicContact CG-CH2 4.42Å; W33-W199 HydrophobicContact CZ3-CE3 4.4Å; W33-V226 WeakPolarHBondContact O-CA 3.28Å; W33-G227 PolarHBondContact O-N 3Å; W33-A229 HydrophobicContact CD2-CB 4.43Å; W33-A229 HydrophobicContact CG-CB 3.99Å; W33-P230 HydrophobicContact CB-CG 3.94Å; W33-P230 HydrophobicContact CD2-CB 4.28Å; W33-P230 HydrophobicContact CD2-CG 3.71Å; W33-P230 HydrophobicContact CE3-CB 3.75Å; W33-P230 HydrophobicContact CE3-CG 3.51Å; W33-P230 HydrophobicContact CG-CG 3.94Å; W33-P230 HydrophobicContact CH2-CB 4.48Å; W33-P230 HydrophobicContact CZ3-CB 3.85Å; W33-P230 HydrophobicContact CZ3-CG 4.15Å; W33-S233 VanDerWaalsContact CH2-OG 3.26Å; W33-S233 WeakPolarHBondContact CH2-OG 3.23Å
34L94.1Very high83Confident1 Ų155.6 Ų55.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-116.9130.1170.3-70171.6000108.7S89 I90 W199 W203 I208 K221 C224 S225 V226L34-S89 CarbonylContact O-C 3.57Å; L34-S89 VanDerWaalsContact O-CA 3.24Å; L34-S89 WeakPolarHBondContact O-CA 3.37Å; L34-I90 HydrophobicContact CB-CG2 3.81Å; L34-I90 HydrophobicContact CD1-CG2 4.39Å; L34-I90 PolarHBondContact N-O 3.15Å; L34-I90 PolarHBondContact O-N 3.45Å; L34-W199 HydrophobicContact CD1-CH2 3.67Å; L34-W199 HydrophobicContact CD1-CZ3 4.11Å; L34-W199 HydrophobicContact CG-CH2 3.8Å; L34-W199 HydrophobicContact CG-CZ3 4.14Å; L34-W203 HydrophobicContact CD1-CD2 4.21Å; L34-W203 HydrophobicContact CD1-CG 4.5Å; L34-W203 HydrophobicContact CD1-CZ2 4.13Å; L34-W203 HydrophobicContact CD2-CH2 4.18Å; L34-W203 HydrophobicContact CD2-CZ2 4.04Å; L34-W203 HydrophobicContact CG-CZ2 4.31Å; L34-I208 HydrophobicContact CD1-CD1 4.12Å; L34-I208 HydrophobicContact CD1-CG2 4.1Å; L34-K221 HydrophobicContact CD2-CB 4.07Å; L34-C224 HydrophobicContact CB-CB 4.17Å; L34-C224 HydrophobicContact CD2-CB 4.11Å; L34-S225 WeakPolarHBondContact CA-O 3.48Å; L34-V226 HydrophobicContact CD2-CG2 4.44Å
35I92Very high80.8Confident33 Ų3362.6 Ų62.617%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-120.3127.9179.6-54.3170.2000106.8Y32 I37 P87 C224 S225Y32-I35 HydrophobicContact CD1-CD1 3.96Å; Y32-I35 HydrophobicContact CD1-CG1 4.27Å; I35-I37 PolarHBondContact O-N 3.02Å; I35-P87 HydrophobicContact CG2-CB 4.11Å; I35-P87 HydrophobicContact CG2-CG 3.68Å; I35-C224 CarbonylContact O-C 3.59Å; I35-C224 VanDerWaalsContact O-CA 3.23Å; I35-C224 WeakPolarHBondContact O-CA 3.31Å; I35-C224 WeakPolarHBondContact O-CB 3.24Å; I35-S225 PolarHBondContact N-O 3.27Å; I35-S225 PolarHBondContact O-N 3.02Å; I35-S225 PolarHBondContact O-OG 2.89Å
36R89Confident78.9Confident39 Ų3962.5 Ų62.515%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-60.6130.9177.3178.6-178.5-77.2-99.35110E38 P87 P88 E210 V211R36-E38 PolarHBondContact O-N 3.12Å; R36-P87 WeakPolarHBondContact O-CB 3.24Å; R36-P88 HydrophobicContact CB-CG 3.77Å; R36-P88 HydrophobicContact CG-CG 4.34Å; R36-P88 PolarHBondContact N-O 3.48Å; R36-E210 PolarHBondContact NH2-O 2.77Å; R36-V211 PolarHBondContact NE-O 3.32Å; R36-V211 PolarHBondContact NH2-O 2.94Å
37I85.2Confident76.8Confident69 Ų6961.9 Ų61.935%0.35431%0.306SS..PPolyproline II helixtrans-78.6122.3172.4-59168.6000107.6I35 T39 T42 N223I35-I37 PolarHBondContact O-N 3.02Å; I37-T39 HydrophobicContact CG2-CG2 4.36Å; I37-T39 PolarHBondContact O-N 3.49Å; I37-T42 PolarHBondContact O-OG1 3.07Å; I37-N223 WeakPolarHBondContact CB-O 3.47Å; I37-N223 PolarHBondContact N-O 3.01Å
38E73.9Confident74.9Confident65 Ų6563.5 Ų63.530%0.30432%0.317SS..PPolyproline II helixtrans-74.4117.1169.1-63.8-164.7170.800110.2R36 R43 P87R36-E38 PolarHBondContact O-N 3.12Å; E38-R43 IonicContact OE2-CZ 3.71Å; E38-R43 IonicContact OE2-NE 3.42Å; E38-R43 PolarHBondContact OE2-NE 3.2Å; E38-R43 IonicContact OE2-NH2 3.06Å; E38-R43 PolarHBondContact OE2-NH2 3.45Å; E38-P87 HydrophobicContact CG-CB 4.42Å
39T66.5Low72.8Confident62 Ų6268 Ų6838%0.3835%0.346SS..  trans-110.3160.1166.362.90000108.6I37 E41 T42 R43I37-T39 HydrophobicContact CG2-CG2 4.36Å; I37-T39 PolarHBondContact O-N 3.49Å; T39-E41 PolarHBondContact O-N 3.35Å; T39-T42 PolarHBondContact N-OG1 2.83Å; T39-T42 PolarHBondContact O-N 3Å; T39-T42 VanDerWaalsContact O-N 3.09Å; T39-T42 PolarHBondContact O-OG1 3.29Å; T39-T42 VanDerWaalsContact O-OG1 3.13Å; T39-T42 PolarHBondContact OG1-N 3.17Å; T39-T42 PolarHBondContact OG1-OG1 3.36Å; T39-R43 VanDerWaalsContact O-CB 3.29Å; T39-R43 WeakPolarHBondContact O-CB 3.47Å; T39-R43 PolarHBondContact O-N 3.31Å
40S63.4Low70.7Confident98 Ų9872.6 Ų72.669%0.68537%0.366SS*.Hα-helixtrans-53.3-32.4178.5-41.80000113.2
41E60.2Low68.3Low155 Ų15576.9 Ų76.972%0.72439%0.388SS*.Hα-helixtrans-75.5-48.3175.7-65.4-171.7162.500112.7T39 R43 R44 L45T39-E41 PolarHBondContact O-N 3.35Å; E41-R43 VanDerWaalsContact C-N 3.26Å; E41-R43 PolarHBondContact O-N 2.89Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.16Å; E41-L45 PolarHBondContact O-N 3.01Å
42T60.8Low65.8Low12 Ų1281.7 Ų81.77%0.07441%0.413CS..Hα-helixtrans-68.6-29.7179.449.90000111.8I37 T39 R44 L45 T46I37-T42 PolarHBondContact O-OG1 3.07Å; T39-T42 PolarHBondContact N-OG1 2.83Å; T39-T42 PolarHBondContact O-N 3Å; T39-T42 VanDerWaalsContact O-N 3.09Å; T39-T42 PolarHBondContact O-OG1 3.29Å; T39-T42 VanDerWaalsContact O-OG1 3.13Å; T39-T42 PolarHBondContact OG1-N 3.17Å; T39-T42 PolarHBondContact OG1-OG1 3.36Å; T42-R44 VanDerWaalsContact C-N 3.25Å; T42-R44 PolarHBondContact O-N 2.58Å; T42-L45 CarbonylContact O-C 3.45Å; T42-L45 WeakPolarHBondContact O-CA 3.09Å; T42-L45 WeakPolarHBondContact O-CB 3.38Å; T42-L45 PolarHBondContact O-N 2.84Å; T42-T46 PolarHBondContact O-N 3.22Å; T42-T46 PolarHBondContact O-OG1 3.18Å
43R57.1Low63.2Low134 Ų13484.3 Ų84.351%0.50643%0.433SS..Hα-helixtrans-59.9-32.9169.8-174.1177.2-75.2170.7-4111.8E38 T39 E41 L45 T46 A47E38-R43 IonicContact OE2-CZ 3.71Å; E38-R43 IonicContact OE2-NE 3.42Å; E38-R43 PolarHBondContact OE2-NE 3.2Å; E38-R43 IonicContact OE2-NH2 3.06Å; E38-R43 PolarHBondContact OE2-NH2 3.45Å; T39-R43 VanDerWaalsContact O-CB 3.29Å; T39-R43 WeakPolarHBondContact O-CB 3.47Å; T39-R43 PolarHBondContact O-N 3.31Å; E41-R43 VanDerWaalsContact C-N 3.26Å; E41-R43 PolarHBondContact O-N 2.89Å; R43-L45 VanDerWaalsContact C-N 3.28Å; R43-L45 PolarHBondContact O-N 3.38Å; R43-T46 WeakPolarHBondContact CA-OG1 3.27Å; R43-A47 WeakPolarHBondContact O-CA 3.33Å; R43-A47 WeakPolarHBondContact O-CB 3.19Å; R43-A47 PolarHBondContact O-N 3.48Å
44R52Low60.5Low208 Ų20891.9 Ų91.979%0.78547%0.466SS*.Hα-helixtrans-70.5-26173.1-63.3-176.4-159.7-175.54.7112.9E41 T42E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.16Å; T42-R44 VanDerWaalsContact C-N 3.25Å; T42-R44 PolarHBondContact O-N 2.58Å
45L52.9Low57.5Low147 Ų14798.8 Ų98.877%0.7750%0.503SS*.Hα-helixtrans-83.9-28.4177.4-62.3172.3000112.3E41 T42 R43E41-L45 PolarHBondContact O-N 3.01Å; T42-L45 CarbonylContact O-C 3.45Å; T42-L45 WeakPolarHBondContact O-CA 3.09Å; T42-L45 WeakPolarHBondContact O-CB 3.38Å; T42-L45 PolarHBondContact O-N 2.84Å; R43-L45 VanDerWaalsContact C-N 3.28Å; R43-L45 PolarHBondContact O-N 3.38Å
46T55.7Low54.6Low33 Ų33103.3 Ų103.320%0.20253%0.532CS..Hα-helixtrans-95.7-20.6175.757.30000113.4T42 R43 C48 C100T42-T46 PolarHBondContact O-N 3.22Å; T42-T46 PolarHBondContact O-OG1 3.18Å; R43-T46 WeakPolarHBondContact CA-OG1 3.27Å; T46-C48 PolarHBondContact O-N 3.47Å; T46-C100 PolarHBondContact O-SG 3.48Å; T46-C100 VanDerWaalsContact O-SG 3.34Å
47A51.6Low52Low47 Ų47106 Ų10639%0.38855%0.553SS.*SBendtrans-61.9123.8173.600000108.2R43R43-A47 WeakPolarHBondContact O-CA 3.33Å; R43-A47 WeakPolarHBondContact O-CB 3.19Å; R43-A47 PolarHBondContact O-N 3.48Å
48C55.6Low49.4Very low34 Ų34110.6 Ų110.623%0.2358%0.578CS.*  trans-57.4138.6174.7-510000108.4T46 Q50 C100T46-C48 PolarHBondContact O-N 3.47Å; C48-Q50 PolarHBondContact O-N 3.43Å; C48-C100 WeakPolarHBondContact CA-SG 3.4Å; C48-C100 HydrophobicContact CB-CB 3.43Å; C48-C100 VanDerWaalsContact CB-CB 3.43Å; C48-C100 WeakPolarHBondContact CB-SG 3.23Å; C48-C100 PolarHBondContact N-SG 3.41Å; C48-C100 WeakPolarHBondContact SG-CA 3.4Å; C48-C100 WeakPolarHBondContact SG-CB 3.44Å; C48-C100 CovalentContact SG-SG 2.04Å; C48-C100 PolarHBondContact SG-SG 2.91Å
49P52.8Low47.3Very low95 Ų95112.3 Ų112.362%0.61760%0.597SS**  trans-57.3107173.323.4-30.9000107.2N51P49-N51 PolarHBondContact O-N 2.94Å
50Q49.2Very low45.7Very low170 Ų170115.6 Ų115.679%0.79461%0.612SS**  trans-65.292.3157.1-76.3-173.5-29.600103.5C48 N52C48-Q50 PolarHBondContact O-N 3.43Å; Q50-N52 PolarHBondContact O-N 2.87Å
51N44.1Very low44.3Very low100 Ų100118.4 Ų118.454%0.53562%0.62SS.*  trans-58.1100.3157.7-88.333.2000103.7P49 L53P49-N51 PolarHBondContact O-N 2.94Å; N51-L53 PolarHBondContact O-N 3.5Å
52N38.7Very low43.1Very low118 Ų118117.7 Ų117.763%0.63162%0.621SS**  trans-37.9128.6163.4-67.6-24.4000105.9Q50 F54Q50-N52 PolarHBondContact O-N 2.87Å; N52-F54 HydrophobicContact CB-CB 4.17Å; N52-F54 PolarHBondContact O-N 3.42Å
53L38.1Very low42Very low146 Ų146123.6 Ų123.676%0.76465%0.652SS**THydrogen-bonded Turntrans-65.746.3172.5-168.985.7000110.3N51N51-L53 PolarHBondContact O-N 3.5Å
54F37.1Very low40.7Very low163 Ų163125.1 Ų125.172%0.71567%0.67SS**THydrogen-bonded Turntrans-130.62.3-170.6-95.3-75.6000114.2N52N52-F54 HydrophobicContact CB-CB 4.17Å; N52-F54 PolarHBondContact O-N 3.42Å
55D31.2Very low39.7Very low146 Ų146122.2 Ų122.278%0.78167%0.669SS**SBendtrans-100.810.9176.4-73.5-19.8000114.3
56T31.6Very low38.5Very low128 Ų128122.4 Ų122.479%0.78567%0.671SS**SBendtrans-101.612.2173.943.70000114.9
57V33.8Very low37.2Very low96 Ų96126.4 Ų126.458%0.58269%0.69SS**SBendtrans-121.871.1168.6-170.50000109.1I67V57-I67 HydrophobicContact CG1-CD1 3.5Å; V57-I67 VanDerWaalsContact CG1-CD1 3.5Å; V57-I67 HydrophobicContact CG2-CD1 4.49Å
58N30.6Very low36Very low166 Ų166131.2 Ų131.289%0.88871%0.708SS**SBendtrans-163.229.7149.3-1164.6000115.1
59S30.1Very low34.7Very low100 Ų100135.7 Ų135.770%0.69973%0.73SS**SBendtrans-121.2110.5161.8-155.30000108.4
60N33Very low33.4Very low132 Ų132140.2 Ų140.271%0.70674%0.74SS**SBendtrans86.283.6160.9-40.3-14.2000114.6
61N34.6Very low32.3Very low156 Ų156137.1 Ų137.183%0.83473%0.733SS**  175.1146.795.6-87.4-23.1000110.8
62N35Very low31.6Very low140 Ų140139.2 Ų139.275%0.74974%0.743SS**  trans-48151.3170.2-60.5-32.7000111.4
63D36.3Very low31Very low136 Ų136139.3 Ų139.373%0.72774%0.744SS**SBendtrans77.991.5167.8-49-32.1000114.9I65D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 WeakPolarHBondContact O-CG1 3.35Å; D63-I65 PolarHBondContact O-N 3.07Å
64N31.4Very low30.6Very low167 Ų167137.9 Ų137.989%0.89375%0.746SS**  trans2.372.2152.6-58-15.4000115.8
65I30.8Very low30.2Very low146 Ų146136.5 Ų136.575%0.74975%0.746SS**  trans-88.9112.5163.5-71162.2000105D63 I67D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 WeakPolarHBondContact O-CG1 3.35Å; D63-I65 PolarHBondContact O-N 3.07Å; I65-I67 VanDerWaalsContact C-N 3.27Å; I65-I67 PolarHBondContact O-N 3.02Å
66D27.7Very low30.3Very low152 Ų152140.7 Ų140.781%0.81375%0.751SS**  trans-53.993.8167.4-68.6-48000107.8D68D66-D68 VanDerWaalsContact C-N 3.33Å; D66-D68 PolarHBondContact O-N 3.47Å
67I27.7Very low30.3Very low117 Ų117137.8 Ų137.860%0.674%0.736SS**  trans-67.5102.8174.5-65.3170.8000104.9V57 I65 L69V57-I67 HydrophobicContact CG1-CD1 3.5Å; V57-I67 VanDerWaalsContact CG1-CD1 3.5Å; V57-I67 HydrophobicContact CG2-CD1 4.49Å; I65-I67 VanDerWaalsContact C-N 3.27Å; I65-I67 PolarHBondContact O-N 3.02Å; I67-L69 PolarHBondContact O-N 3.39Å
68D27.1Very low30.4Very low147 Ų147141.1 Ų141.179%0.78675%0.75SS**  trans-4197.7157.7-80.7-39000107D66 F70D66-D68 VanDerWaalsContact C-N 3.33Å; D66-D68 PolarHBondContact O-N 3.47Å; D68-F70 PolarHBondContact O-N 2.85Å
69L27.8Very low30.5Very low129 Ų129139.1 Ų139.168%0.67574%0.74SS**  trans-52.399.8172.7175.670.3000104.3I67 T71I67-L69 PolarHBondContact O-N 3.39Å; L69-T71 HydrophobicContact CD2-CG2 4.27Å; L69-T71 HydrophobicContact CG-CG2 4.39Å; L69-T71 PolarHBondContact O-N 2.88Å; L69-T71 PolarHBondContact O-OG1 3.04Å
70F26.5Very low30.7Very low189 Ų189141.6 Ų141.683%0.82974%0.74SS**  trans-61.985.2168.4-136.9-88.7000103.8D68 L72D68-F70 PolarHBondContact O-N 2.85Å; F70-L72 PolarHBondContact O-N 3.43Å
71T24.8Very low30.8Very low105 Ų105142.2 Ų142.264%0.64474%0.743SS**  trans-57.794.3167.422.70000102.3L69 N73L69-T71 HydrophobicContact CD2-CG2 4.27Å; L69-T71 HydrophobicContact CG-CG2 4.39Å; L69-T71 PolarHBondContact O-N 2.88Å; L69-T71 PolarHBondContact O-OG1 3.04Å; T71-N73 PolarHBondContact O-N 3.38Å
72L29.2Very low31.1Very low145 Ų145140.2 Ų140.276%0.75973%0.731SS**  trans-50.193.8151.3-91.3157.3000103.5F70 S74F70-L72 PolarHBondContact O-N 3.43Å; L72-S74 PolarHBondContact O-N 3.45Å
73N26.4Very low31.6Very low120 Ų120138.1 Ų138.164%0.64272%0.716SS**  trans-49.4114.6-174.2-172.45.5000105.4T71 N75T71-N73 PolarHBondContact O-N 3.38Å; N73-N75 PolarHBondContact O-N 2.85Å
74S29Very low32.2Very low115 Ų115138.2 Ų138.280%0.80472%0.716SS**THydrogen-bonded Turntrans-63.531.6-173.5177.80000112.9L72L72-S74 PolarHBondContact O-N 3.45Å
75N29.4Very low33.5Very low135 Ų135132 Ų13272%0.72268%0.682SS**THydrogen-bonded Turntrans-121.83.4-175.5-75.7-4.7000113.3N73 S77N73-N75 PolarHBondContact O-N 2.85Å; N75-S77 PolarHBondContact O-N 2.92Å
76R32.8Very low35.5Very low234 Ų234127 Ų12788%0.88366%0.657SS**SBendtrans-8884.2161-157.2167.5-166.4145.80.7106.4D78R76-D78 PolarHBondContact O-N 3.43Å
77S32.1Very low37.9Very low66 Ų66121.5 Ų121.546%0.46263%0.63SS.*  trans-8.8127.2165.6530000112.4N75 N79N75-S77 PolarHBondContact O-N 2.92Å; S77-N79 PolarHBondContact O-N 3.39Å; S77-N79 PolarHBondContact OG-ND2 2.96Å
78D36.6Very low40.6Very low167 Ų167117 Ų11789%0.89361%0.608SS**  trans-57.530.2166.9-61.5-56.1000113.9R76 E80R76-D78 PolarHBondContact O-N 3.43Å; D78-E80 PolarHBondContact O-N 2.97Å
79N31.2Very low43.6Very low124 Ų124110.1 Ų110.166%0.66357%0.571SS**  trans-73.281.7167.4-65.50.6000107.5S77 L81S77-N79 PolarHBondContact O-N 3.39Å; S77-N79 PolarHBondContact OG-ND2 2.96Å; N79-L81 PolarHBondContact O-N 3.04Å
80E35.1Very low46.6Very low151 Ų151104.1 Ų104.171%0.70654%0.54SS*.  54.461.9124.2-59.1179.7157.300114.8D78 I82D78-E80 PolarHBondContact O-N 2.97Å; E80-I82 HydrophobicContact CB-CD1 4.36Å; E80-I82 HydrophobicContact CB-CG1 4.33Å; E80-I82 HydrophobicContact CG-CD1 4.01Å; E80-I82 HydrophobicContact CG-CG1 4.42Å; E80-I82 PolarHBondContact O-N 3.29Å
81L35.3Very low49.8Very low146 Ų14695.2 Ų95.276%0.76450%0.501SS*.  trans-83.353.5140.3-156.6136.6000107.8N79 Q83N79-L81 PolarHBondContact O-N 3.04Å; L81-Q83 HydrophobicContact CD2-CG 3.46Å; L81-Q83 VanDerWaalsContact CD2-CG 3.46Å; L81-Q83 HydrophobicContact CG-CG 4.3Å; L81-Q83 PolarHBondContact O-N 3.03Å
82I39.9Very low53Low113 Ų11390.3 Ų90.358%0.57947%0.471SS*.  trans-6889154.2-59.6170.7000102.1E80 L84E80-I82 HydrophobicContact CB-CD1 4.36Å; E80-I82 HydrophobicContact CB-CG1 4.33Å; E80-I82 HydrophobicContact CG-CD1 4.01Å; E80-I82 HydrophobicContact CG-CG1 4.42Å; E80-I82 PolarHBondContact O-N 3.29Å; I82-L84 PolarHBondContact O-N 3.08Å
83Q45.6Very low55.9Low96 Ų9684.1 Ų84.145%0.44944%0.438SS..  trans-50.9116.5164.5-68.5-173.3-50.900104.6L81 I85L81-Q83 HydrophobicContact CD2-CG 3.46Å; L81-Q83 VanDerWaalsContact CD2-CG 3.46Å; L81-Q83 HydrophobicContact CG-CG 4.3Å; L81-Q83 PolarHBondContact O-N 3.03Å; Q83-I85 HydrophobicContact CB-CG1 4.43Å; Q83-I85 WeakPolarHBondContact O-CG1 3.25Å; Q83-I85 PolarHBondContact O-N 3.32Å
84L49.4Very low59Low139 Ų13981.3 Ų81.373%0.72842%0.42SS*.  trans-69.282.2-179.9-171.473.5000105.9I82 I86I82-L84 PolarHBondContact O-N 3.08Å; L84-I86 PolarHBondContact O-N 2.95Å
85I59.8Low61.8Low35 Ų3577 Ų7718%0.17939%0.386CS..  trans-65.9110.9-178.3-67.5166.9000105.6Q83 P87Q83-I85 HydrophobicContact CB-CG1 4.43Å; Q83-I85 WeakPolarHBondContact O-CG1 3.25Å; Q83-I85 PolarHBondContact O-N 3.32Å; I85-P87 WeakPolarHBondContact O-CD 3.33Å; I85-P87 VanDerWaalsContact O-N 3.16Å
86I71.3Confident64.5Low42 Ų4271.4 Ų71.422%0.21536%0.357CS..PPolyproline II helixtrans-62.7120.4175-62.3168.7000106.8L84 S98 F117L84-I86 PolarHBondContact O-N 2.95Å; I86-S98 PolarHBondContact O-OG 2.84Å; I86-F117 HydrophobicContact CD1-CD1 3.45Å; I86-F117 VanDerWaalsContact CD1-CD1 3.45Å; I86-F117 HydrophobicContact CD1-CE1 3.75Å
87P78.8Confident66.8Low37 Ų3764.4 Ų64.424%0.2433%0.334CS..PPolyproline II helixtrans-63.5141.9-178.325-33.6000109.4I35 R36 E38 I85 S89I35-P87 HydrophobicContact CG2-CB 4.11Å; I35-P87 HydrophobicContact CG2-CG 3.68Å; R36-P87 WeakPolarHBondContact O-CB 3.24Å; E38-P87 HydrophobicContact CG-CB 4.42Å; I85-P87 WeakPolarHBondContact O-CD 3.33Å; I85-P87 VanDerWaalsContact O-N 3.16Å; P87-S89 PolarHBondContact O-N 2.92Å
88P85.3Confident68.8Low22 Ų2262.7 Ų62.714%0.14332%0.323CS..PPolyproline II helixtrans-61.3138.3179.226-34000110.2R36 C96 Q97 V211R36-P88 HydrophobicContact CB-CG 3.77Å; R36-P88 HydrophobicContact CG-CG 4.34Å; R36-P88 PolarHBondContact N-O 3.48Å; P88-C96 WeakPolarHBondContact CA-O 3.36Å; P88-Q97 HydrophobicContact CB-CB 4.42Å; P88-V211 HydrophobicContact CB-CG1 4.33Å
89S90Very high70.1Confident3 Ų358 Ų582%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-126.6147.2-179.162.20000110.6P31 L34 P87 R95 C96P31-S89 WeakPolarHBondContact O-CB 3.28Å; L34-S89 CarbonylContact O-C 3.57Å; L34-S89 VanDerWaalsContact O-CA 3.24Å; L34-S89 WeakPolarHBondContact O-CA 3.37Å; P87-S89 PolarHBondContact O-N 2.92Å; S89-R95 WeakPolarHBondContact O-CA 3.37Å; S89-C96 PolarHBondContact N-O 3.37Å; S89-C96 PolarHBondContact O-N 3.34Å
90I90.9Very high71.6Confident3 Ų354.9 Ų54.92%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-137127.9-179.4-173.3158.9000110.5P31 W33 L34 R95 I208 V211P31-I90 CarbonylContact O-C 3.48Å; P31-I90 PolarHBondContact O-N 2.9Å; W33-I90 WeakPolarHBondContact CB-O 3.2Å; L34-I90 HydrophobicContact CB-CG2 3.81Å; L34-I90 HydrophobicContact CD1-CG2 4.39Å; L34-I90 PolarHBondContact N-O 3.15Å; L34-I90 PolarHBondContact O-N 3.45Å; I90-R95 HydrophobicContact CB-CB 4.28Å; I90-R95 HydrophobicContact CD1-CB 4.22Å; I90-R95 HydrophobicContact CG1-CB 4.02Å; I90-I208 HydrophobicContact CD1-CG1 4.07Å; I90-V211 HydrophobicContact CB-CG1 4.33Å; I90-V211 HydrophobicContact CB-CG2 4.35Å; I90-V211 HydrophobicContact CD1-CG2 4.21Å; I90-V211 HydrophobicContact CG2-CB 4.14Å; I90-V211 HydrophobicContact CG2-CG1 3.89Å; I90-V211 HydrophobicContact CG2-CG2 4.43Å
91G93Very high72.5Confident1 Ų149.6 Ų49.61%0.0126%0.264CS..  trans-118.9-177.4171.500000112.6P31 W93 F94P31-G91 PolarHBondContact O-N 3.28Å; G91-W93 PolarHBondContact O-N 2.64Å; G91-F94 PolarHBondContact N-O 2.99Å
92P91.5Very high73.2Confident3 Ų347.6 Ų47.62%0.01925%0.249CC..SBendtrans-56.6-36.5179.6-26.835.1000113.2F28 W33 S127 W199F28-P92 HydrophobicContact CD1-CB 4.41Å; F28-P92 HydrophobicContact CD1-CG 4.16Å; W33-P92 VanDerWaalsContact CD1-CD 3.41Å; W33-P92 HydrophobicContact CD2-CG 3.86Å; W33-P92 VanDerWaalsContact CE2-CD 3.49Å; W33-P92 HydrophobicContact CE3-CG 4.17Å; W33-P92 HydrophobicContact CG-CG 4.4Å; W33-P92 HydrophobicContact CH2-CG 4.29Å; W33-P92 HydrophobicContact CZ2-CG 3.94Å; W33-P92 HydrophobicContact CZ3-CG 4.39Å; P92-S127 VanDerWaalsContact C-OG 3.3Å; P92-S127 PolarHBondContact O-OG 3.06Å; P92-W199 HydrophobicContact CG-CD2 4.35Å; P92-W199 HydrophobicContact CG-CG 4.38Å
93W91.2Very high73.8Confident14 Ų1449 Ų495%0.05326%0.257CS..SBendtrans-116.2-33.2-173.2-59.9-10000114.5F28 L29 G91 L126 S127 G146 S149 M150 C153F28-W93 HydrophobicContact CB-CZ2 4.3Å; L29-W93 HydrophobicContact CD1-CE3 3.91Å; L29-W93 HydrophobicContact CD1-CH2 4.16Å; L29-W93 HydrophobicContact CD1-CZ3 3.33Å; L29-W93 HydrophobicContact CG-CE3 3.82Å; L29-W93 HydrophobicContact CG-CZ3 3.71Å; G91-W93 PolarHBondContact O-N 2.64Å; W93-L126 CarbonylContact O-C 3.56Å; W93-L126 VanDerWaalsContact O-CA 3.24Å; W93-L126 WeakPolarHBondContact O-CA 3.47Å; W93-S127 VanDerWaalsContact C-OG 3.24Å; W93-S127 WeakPolarHBondContact CA-OG 3.28Å; W93-S127 PolarHBondContact O-N 2.93Å; W93-S127 PolarHBondContact O-OG 2.94Å; W93-G146 PolarHBondContact NE1-O 3.15Å; W93-S149 PolarHBondContact NE1-OG 3.24Å; W93-M150 HydrophobicContact CB-CE 4.05Å; W93-M150 HydrophobicContact CD2-CE 3.13Å; W93-M150 HydrophobicContact CD2-CG 4.34Å; W93-M150 HydrophobicContact CD2-SD 3.89Å; W93-M150 VanDerWaalsContact CE2-CE 3.49Å; W93-M150 HydrophobicContact CE3-CE 3.21Å; W93-M150 HydrophobicContact CE3-SD 3.95Å; W93-M150 HydrophobicContact CG-CE 3.51Å; W93-M150 HydrophobicContact CH2-CE 3.9Å; W93-M150 HydrophobicContact CH2-CG 4.42Å; W93-M150 HydrophobicContact CH2-SD 3.45Å; W93-M150 WeakPolarHBondContact CH2-SD 3.47Å; W93-M150 VanDerWaalsContact CZ2-CA 3.49Å; W93-M150 HydrophobicContact CZ2-CB 4.29Å; W93-M150 HydrophobicContact CZ2-CE 3.92Å; W93-M150 HydrophobicContact CZ2-CG 3.82Å; W93-M150 HydrophobicContact CZ2-SD 3.46Å; W93-M150 WeakPolarHBondContact CZ2-SD 3.39Å; W93-M150 HydrophobicContact CZ3-CE 3.56Å; W93-M150 HydrophobicContact CZ3-SD 3.7Å; W93-C153 HydrophobicContact CH2-CB 3.36Å; W93-C153 WeakPolarHBondContact CH2-SG 3.23Å; W93-C153 HydrophobicContact CZ2-CB 3.79Å; W93-C153 VanDerWaalsContact CZ2-SG 3.51Å
94F91Very high74Confident61 Ų6149 Ų4927%0.26827%0.268SS..EExtended strand (participates in β ladder)trans-123.3139.7-176.5-63.4-78.5000110.3L29 P31 G91 Q125L29-F94 HydrophobicContact CB-CE2 4.25Å; L29-F94 HydrophobicContact CD2-CE2 4.41Å; L29-F94 HydrophobicContact CG-CE2 4.08Å; L29-F94 WeakPolarHBondContact O-CD2 3.2Å; P31-F94 HydrophobicContact CB-CB 4.4Å; G91-F94 PolarHBondContact N-O 2.99Å; F94-Q125 WeakPolarHBondContact CA-O 3.34Å
95R87.9Confident74Confident26 Ų2646.7 Ų46.710%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-117.9136.7164.164.5177.2176.7164.7-1.8108.4S89 I90 C124 Q125 W129 E210S89-R95 WeakPolarHBondContact O-CA 3.37Å; I90-R95 HydrophobicContact CB-CB 4.28Å; I90-R95 HydrophobicContact CD1-CB 4.22Å; I90-R95 HydrophobicContact CG1-CB 4.02Å; R95-C124 WeakPolarHBondContact O-CA 3.2Å; R95-Q125 HydrophobicContact CG-CG 3.68Å; R95-Q125 VanDerWaalsContact CZ-NE2 3.33Å; R95-Q125 PolarHBondContact N-O 2.91Å; R95-Q125 VanDerWaalsContact NE-NE2 3.15Å; R95-Q125 PolarHBondContact O-N 3.03Å; R95-W129 PolarHBondContact NH2-O 3.49Å; R95-W129 VanDerWaalsContact NH2-O 3.08Å; R95-E210 IonicContact NH1-OE2 3.55Å
96C86.2Confident73.6Confident16 Ų1646.1 Ų46.111%0.10826%0.255CS..EExtended strand (participates in β ladder)trans-122.8135.6179.5-58.80000109.6P31 P88 S89 K123 C124P31-C96 HydrophobicContact CB-CB 4.3Å; P31-C96 HydrophobicContact CG-CB 4.37Å; P31-C96 VanDerWaalsContact CG-SG 3.54Å; P88-C96 WeakPolarHBondContact CA-O 3.36Å; S89-C96 PolarHBondContact N-O 3.37Å; S89-C96 PolarHBondContact O-N 3.34Å; C96-K123 WeakPolarHBondContact CA-O 3.45Å; C96-C124 HydrophobicContact CB-CB 4.22Å; C96-C124 WeakPolarHBondContact CB-SG 3.42Å; C96-C124 WeakPolarHBondContact SG-CB 3.37Å; C96-C124 CovalentContact SG-SG 2.04Å; C96-C124 PolarHBondContact SG-SG 3.32Å
97Q80.8Confident72.7Confident87 Ų8749.9 Ų49.941%0.40728%0.28SS..EExtended strand (participates in β ladder)trans-139.9148.2177.565.6179.253.200110.4P88 F122 K123P88-Q97 HydrophobicContact CB-CB 4.42Å; Q97-F122 WeakPolarHBondContact O-CA 3.48Å; Q97-K123 PolarHBondContact N-O 3.48Å; Q97-K123 PolarHBondContact O-N 3.36Å
98S73.2Confident71.3Confident31 Ų3154.9 Ų54.922%0.21730%0.304CS..EExtended strand (participates in β ladder)trans-86.6150.7169.447.30000110.5I86 L121I86-S98 PolarHBondContact O-OG 2.84Å; S98-L121 WeakPolarHBondContact CA-O 3.28Å
99I64.6Low69.8Low68 Ų6859 Ų5935%0.34933%0.325SS..  trans-98.5143.1171.5-170.1166.8000110.4S101 W114 L121I99-S101 PolarHBondContact O-N 2.87Å; I99-W114 HydrophobicContact CB-CE3 4.24Å; I99-W114 HydrophobicContact CB-CH2 3.91Å; I99-W114 HydrophobicContact CB-CZ3 3.71Å; I99-W114 HydrophobicContact CD1-CH2 4.17Å; I99-W114 HydrophobicContact CD1-CZ2 4.05Å; I99-W114 HydrophobicContact CG1-CH2 4.49Å; I99-W114 HydrophobicContact CG2-CE3 4Å; I99-W114 HydrophobicContact CG2-CH2 4.5Å; I99-W114 HydrophobicContact CG2-CZ3 3.99Å; I99-L121 HydrophobicContact CG2-CB 3.39Å; I99-L121 HydrophobicContact CG2-CD1 4.25Å; I99-L121 HydrophobicContact CG2-CG 4.45Å; I99-L121 PolarHBondContact N-O 3.2Å
100C62.8Low68.2Low58 Ų5866 Ų6639%0.39236%0.362SS..  trans-9184.7165.3-82.20000110.4T46 C48T46-C100 PolarHBondContact O-SG 3.48Å; T46-C100 VanDerWaalsContact O-SG 3.34Å; C48-C100 WeakPolarHBondContact CA-SG 3.4Å; C48-C100 HydrophobicContact CB-CB 3.43Å; C48-C100 VanDerWaalsContact CB-CB 3.43Å; C48-C100 WeakPolarHBondContact CB-SG 3.23Å; C48-C100 PolarHBondContact N-SG 3.41Å; C48-C100 WeakPolarHBondContact SG-CA 3.4Å; C48-C100 WeakPolarHBondContact SG-CB 3.44Å; C48-C100 CovalentContact SG-SG 2.04Å; C48-C100 PolarHBondContact SG-SG 2.91Å
101S54.3Low66.5Low41 Ų4168.3 Ų68.329%0.28737%0.374SS..  trans-123.5135.8173.6-171.60000109.8I99 L103I99-S101 PolarHBondContact O-N 2.87Å; S101-L103 PolarHBondContact O-N 2.77Å
102K50.2Low64.8Low103 Ų10376.2 Ų76.245%0.44842%0.416SS..  trans-63.5133.9166.6-70.6-178.4174.9-177.30107.3S104 D105 S106K102-S104 PolarHBondContact O-N 2.87Å; K102-D105 PolarHBondContact O-N 3.39Å; K102-S106 PolarHBondContact O-N 3.39Å
103L51.4Low63.5Low144 Ų14481.6 Ų81.675%0.75444%0.444SS*.THydrogen-bonded Turntrans-50.4-26.9173.3-164.271.7000111.8S101 S106S101-L103 PolarHBondContact O-N 2.77Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact O-OG 3.37Å
104S50.3Low62Low96 Ų9683.9 Ų83.967%0.67145%0.453SS*.THydrogen-bonded Turntrans-70.9-33175.3-170.60000115.3K102 S106K102-S104 PolarHBondContact O-N 2.87Å; S104-S106 PolarHBondContact O-N 3.15Å
105D50.2Low60.5Low89 Ų8987.4 Ų87.448%0.47647%0.47SS..G310 helixtrans-81-7.4177.5-66.6-33000111.6K102 V107K102-D105 PolarHBondContact O-N 3.39Å; D105-V107 VanDerWaalsContact C-N 3.3Å; D105-V107 PolarHBondContact O-N 3.24Å
106S50.5Low59Low24 Ų2492 Ų9217%0.16850%0.496CS..G310 helixtrans-67.6-31.1-175.685.90000112.4K102 L103 S104 N108 I111K102-S106 PolarHBondContact O-N 3.39Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact O-OG 3.37Å; S104-S106 PolarHBondContact O-N 3.15Å; S106-N108 PolarHBondContact O-N 2.92Å; S106-N108 VanDerWaalsContact O-N 3.16Å; S106-I111 VanDerWaalsContact CA-CD1 3.41Å; S106-I111 WeakPolarHBondContact O-CD1 3.39Å
107V53Low57.7Low120 Ų12096.1 Ų96.173%0.72751%0.512SS*.G310 helixtrans-65.3-25.4-172.9-176.70000112.8D105D105-V107 VanDerWaalsContact C-N 3.3Å; D105-V107 PolarHBondContact O-N 3.24Å
108N49.6Very low56.6Low142 Ų14297.9 Ų97.976%0.75952%0.524SS*.G310 helixtrans-101.3-11.7-171.9-69-13.6000114.8S106S106-N108 PolarHBondContact O-N 2.92Å; S106-N108 VanDerWaalsContact O-N 3.16Å
109N54Low55.8Low110 Ų110103.3 Ų103.359%0.58855%0.551SS**SBendtrans-102.8147.4-177.5-71.8-37.3000110.7I111N109-I111 WeakPolarHBondContact O-CG1 3.48Å; N109-I111 PolarHBondContact O-N 3.2Å
110N55.8Low55.4Low148 Ų148100.8 Ų100.879%0.79154%0.539SS*.  trans-64.777.8175.7-70.1-20.2000111L112N110-L112 PolarHBondContact O-N 3.01Å
111I55.6Low55.4Low53 Ų5399.4 Ų99.427%0.27253%0.527SS..G310 helixtrans-71.8-3.3-175.9-76.1-178.2000113.6S106 N109 N113 W114 L121S106-I111 VanDerWaalsContact CA-CD1 3.41Å; S106-I111 WeakPolarHBondContact O-CD1 3.39Å; N109-I111 WeakPolarHBondContact O-CG1 3.48Å; N109-I111 PolarHBondContact O-N 3.2Å; I111-N113 PolarHBondContact O-N 3.42Å; I111-W114 HydrophobicContact CG2-CB 4.44Å; I111-W114 PolarHBondContact O-N 3.13Å; I111-L121 HydrophobicContact CG2-CD2 4.29Å
112L56.2Low56.3Low167 Ų16799.2 Ų99.287%0.87452%0.521SS*.G310 helixtrans-54.2-16.1-176.8-69.2166.3000115.7N110N110-L112 PolarHBondContact O-N 3.01Å
113N64.1Low57.7Low115 Ų11597.2 Ų97.262%0.61551%0.512SS*.G310 helixtrans-99.710-179.9-62.4-28000114.7I111I111-N113 PolarHBondContact O-N 3.42Å
114W61.4Low59.3Low63 Ų6393.2 Ų93.224%0.23950%0.496CS..  trans-119.8137.8-176.8-61.386.6000110.2I99 I111 L121 K123I99-W114 HydrophobicContact CB-CE3 4.24Å; I99-W114 HydrophobicContact CB-CH2 3.91Å; I99-W114 HydrophobicContact CB-CZ3 3.71Å; I99-W114 HydrophobicContact CD1-CH2 4.17Å; I99-W114 HydrophobicContact CD1-CZ2 4.05Å; I99-W114 HydrophobicContact CG1-CH2 4.49Å; I99-W114 HydrophobicContact CG2-CE3 4Å; I99-W114 HydrophobicContact CG2-CH2 4.5Å; I99-W114 HydrophobicContact CG2-CZ3 3.99Å; I111-W114 HydrophobicContact CG2-CB 4.44Å; I111-W114 PolarHBondContact O-N 3.13Å; W114-L121 HydrophobicContact CB-CD2 3.78Å; W114-K123 HydrophobicContact CD2-CB 3.88Å; W114-K123 HydrophobicContact CD2-CD 4.31Å; W114-K123 HydrophobicContact CE3-CB 3.3Å; W114-K123 HydrophobicContact CE3-CD 4.46Å; W114-K123 HydrophobicContact CE3-CG 4.47Å; W114-K123 HydrophobicContact CH2-CB 3.76Å; W114-K123 HydrophobicContact CH2-CD 4.02Å; W114-K123 HydrophobicContact CZ2-CB 4.32Å; W114-K123 HydrophobicContact CZ2-CD 3.9Å; W114-K123 HydrophobicContact CZ3-CB 3.23Å; W114-K123 HydrophobicContact CZ3-CD 4.31Å; W114-K123 HydrophobicContact CZ3-CG 4.4Å
115E59Low61Low134 Ų13491.3 Ų91.363%0.62648%0.476SS*.EExtended strand (participates in β ladder)trans-100.3144.1174.6-70.4178.6177.100108.6F122E115-F122 VanDerWaalsContact C-CE1 3.42Å; E115-F122 HydrophobicContact CB-CD1 4.24Å; E115-F122 HydrophobicContact CB-CE1 3.4Å; E115-F122 HydrophobicContact CB-CE2 4.12Å; E115-F122 HydrophobicContact CB-CZ 3.37Å; E115-F122 HydrophobicContact CG-CZ 4.43Å; E115-F122 PolarHBondContact N-O 2.87Å; E115-F122 WeakPolarHBondContact O-CD1 3.23Å; E115-F122 VanDerWaalsContact O-CE1 3.23Å; E115-F122 WeakPolarHBondContact O-CE1 3.49Å; E115-F122 PolarHBondContact O-N 2.82Å; E115-F122 WeakPolarHBondContact OE2-CZ 3.44Å
116L56.2Low62.7Low122 Ų12290.6 Ų90.664%0.63947%0.472SS*.EExtended strand (participates in β ladder)trans-94.1121.1175.8-173.773.6000108.3
117F58.3Low64.1Low104 Ų10489.7 Ų89.746%0.45647%0.466SS..EExtended strand (participates in β ladder)trans-137.5123.4174.5179.7-83.4000109.1I86 D119 T120 F122I86-F117 HydrophobicContact CD1-CD1 3.45Å; I86-F117 VanDerWaalsContact CD1-CD1 3.45Å; I86-F117 HydrophobicContact CD1-CE1 3.75Å; F117-D119 VanDerWaalsContact C-N 3.33Å; F117-D119 PolarHBondContact O-N 2.89Å; F117-T120 PolarHBondContact N-O 3.47Å; F117-T120 PolarHBondContact O-N 2.89Å; F117-T120 VanDerWaalsContact O-O 3.07Å; F117-T120 PolarHBondContact O-OG1 2.76Å; F117-F122 HydrophobicContact CB-CD1 3.42Å; F117-F122 VanDerWaalsContact CB-CD1 3.42Å; F117-F122 HydrophobicContact CB-CE1 3.06Å; F117-F122 HydrophobicContact CB-CG 4.49Å; F117-F122 HydrophobicContact CB-CZ 3.86Å; F117-F122 HydrophobicContact CG-CE1 4.17Å
118D58Low64.9Low123 Ų12386.4 Ų86.466%0.65845%0.446SS*.THydrogen-bonded Turntrans43.555.1-176.3-69-20.3000113.1T120D118-T120 PolarHBondContact O-N 3.44Å
119D56.4Low65.5Low145 Ų14588.7 Ų88.778%0.77544%0.444SS*.THydrogen-bonded Turntrans59.87.1-179.7-59.3-37.6000115.9F117F117-D119 VanDerWaalsContact C-N 3.33Å; F117-D119 PolarHBondContact O-N 2.89Å
120T55.6Low65.6Low16 Ų1684.4 Ų84.410%0.09843%0.425CS..EExtended strand (participates in β ladder)trans-108.1131.3174.765.90000110.6F117 D118 F122F117-T120 PolarHBondContact N-O 3.47Å; F117-T120 PolarHBondContact O-N 2.89Å; F117-T120 VanDerWaalsContact O-O 3.07Å; F117-T120 PolarHBondContact O-OG1 2.76Å; D118-T120 PolarHBondContact O-N 3.44Å; T120-F122 PolarHBondContact O-N 3.46Å
121L63.2Low65.2Low29 Ų2985.7 Ų85.715%0.15243%0.425CS..EExtended strand (participates in β ladder)trans-77121.4171.6-78.3155.8000108.2S98 I99 I111 W114S98-L121 WeakPolarHBondContact CA-O 3.28Å; I99-L121 HydrophobicContact CG2-CB 3.39Å; I99-L121 HydrophobicContact CG2-CD1 4.25Å; I99-L121 HydrophobicContact CG2-CG 4.45Å; I99-L121 PolarHBondContact N-O 3.2Å; I111-L121 HydrophobicContact CG2-CD2 4.29Å; W114-L121 HydrophobicContact CB-CD2 3.78Å
122F74.1Confident65Low36 Ų3685.2 Ų85.216%0.15843%0.433CS..EExtended strand (participates in β ladder)trans-127.6154.817774.2-72.6000110.5Q97 E115 F117 T120Q97-F122 WeakPolarHBondContact O-CA 3.48Å; E115-F122 VanDerWaalsContact C-CE1 3.42Å; E115-F122 HydrophobicContact CB-CD1 4.24Å; E115-F122 HydrophobicContact CB-CE1 3.4Å; E115-F122 HydrophobicContact CB-CE2 4.12Å; E115-F122 HydrophobicContact CB-CZ 3.37Å; E115-F122 HydrophobicContact CG-CZ 4.43Å; E115-F122 PolarHBondContact N-O 2.87Å; E115-F122 WeakPolarHBondContact O-CD1 3.23Å; E115-F122 VanDerWaalsContact O-CE1 3.23Å; E115-F122 WeakPolarHBondContact O-CE1 3.49Å; E115-F122 PolarHBondContact O-N 2.82Å; E115-F122 WeakPolarHBondContact OE2-CZ 3.44Å; F117-F122 HydrophobicContact CB-CD1 3.42Å; F117-F122 VanDerWaalsContact CB-CD1 3.42Å; F117-F122 HydrophobicContact CB-CE1 3.06Å; F117-F122 HydrophobicContact CB-CG 4.49Å; F117-F122 HydrophobicContact CB-CZ 3.86Å; F117-F122 HydrophobicContact CG-CE1 4.17Å; T120-F122 PolarHBondContact O-N 3.46Å
123K78.7Confident64.8Low61 Ų6181.8 Ų81.827%0.26543%0.428SS..EExtended strand (participates in β ladder)trans-138.2130.9175.5177.4176.8-177.9-175.40110.1C96 Q97 W114C96-K123 WeakPolarHBondContact CA-O 3.45Å; Q97-K123 PolarHBondContact N-O 3.48Å; Q97-K123 PolarHBondContact O-N 3.36Å; W114-K123 HydrophobicContact CD2-CB 3.88Å; W114-K123 HydrophobicContact CD2-CD 4.31Å; W114-K123 HydrophobicContact CE3-CB 3.3Å; W114-K123 HydrophobicContact CE3-CD 4.46Å; W114-K123 HydrophobicContact CE3-CG 4.47Å; W114-K123 HydrophobicContact CH2-CB 3.76Å; W114-K123 HydrophobicContact CH2-CD 4.02Å; W114-K123 HydrophobicContact CZ2-CB 4.32Å; W114-K123 HydrophobicContact CZ2-CD 3.9Å; W114-K123 HydrophobicContact CZ3-CB 3.23Å; W114-K123 HydrophobicContact CZ3-CD 4.31Å; W114-K123 HydrophobicContact CZ3-CG 4.4Å
124C85.5Confident64.2Low60 Ų6084.8 Ų84.841%0.40544%0.436SS..EExtended strand (participates in β ladder)trans-101135.6167.9-63.70000109.5R95 C96R95-C124 WeakPolarHBondContact O-CA 3.2Å; C96-C124 HydrophobicContact CB-CB 4.22Å; C96-C124 WeakPolarHBondContact CB-SG 3.42Å; C96-C124 WeakPolarHBondContact SG-CB 3.37Å; C96-C124 CovalentContact SG-SG 2.04Å; C96-C124 PolarHBondContact SG-SG 3.32Å
125Q85.5Confident64.2Low56 Ų5684.1 Ų84.126%0.26244%0.44SS..EExtended strand (participates in β ladder)trans-138.3160.917662.4-176.4-25.500110F94 R95 S127F94-Q125 WeakPolarHBondContact CA-O 3.34Å; R95-Q125 HydrophobicContact CG-CG 3.68Å; R95-Q125 VanDerWaalsContact CZ-NE2 3.33Å; R95-Q125 PolarHBondContact N-O 2.91Å; R95-Q125 VanDerWaalsContact NE-NE2 3.15Å; R95-Q125 PolarHBondContact O-N 3.03Å; Q125-S127 PolarHBondContact O-N 3.31Å
126L86Confident64.8Low75 Ų7581.1 Ų81.139%0.39344%0.438SS..EExtended strand (participates in β ladder)trans-58.9126.8175.9-79.3147.1000110.1W93 V128 W129W93-L126 CarbonylContact O-C 3.56Å; W93-L126 VanDerWaalsContact O-CA 3.24Å; W93-L126 WeakPolarHBondContact O-CA 3.47Å; L126-V128 PolarHBondContact O-N 3.49Å; L126-W129 HydrophobicContact CB-CB 4.22Å; L126-W129 HydrophobicContact CB-CG 4.4Å; L126-W129 PolarHBondContact O-N 3.23Å
127S80.8Confident66.2Low4 Ų481.4 Ų81.43%0.02844%0.439CS..THydrogen-bonded Turntrans-60.6-30.1177.3610000112P92 W93 Q125 W129P92-S127 VanDerWaalsContact C-OG 3.3Å; P92-S127 PolarHBondContact O-OG 3.06Å; W93-S127 VanDerWaalsContact C-OG 3.24Å; W93-S127 WeakPolarHBondContact CA-OG 3.28Å; W93-S127 PolarHBondContact O-N 2.93Å; W93-S127 PolarHBondContact O-OG 2.94Å; Q125-S127 PolarHBondContact O-N 3.31Å; S127-W129 VanDerWaalsContact C-N 3.26Å; S127-W129 PolarHBondContact O-N 3.46Å
128V69.5Low67.5Low51 Ų5176.9 Ų76.931%0.30942%0.421SS..THydrogen-bonded Turntrans-70.8-23.2178.2-172.50000111.7L126 G130 W143L126-V128 PolarHBondContact O-N 3.49Å; V128-G130 PolarHBondContact O-N 2.99Å; V128-W143 HydrophobicContact CG1-CG 4.42Å
129W61.4Low68.9Low191 Ų19171.4 Ų71.472%0.72339%0.391SS*.SBendtrans-88.999.3179.4-89.375.8000111R95 L126 S127R95-W129 PolarHBondContact NH2-O 3.49Å; R95-W129 VanDerWaalsContact NH2-O 3.08Å; L126-W129 HydrophobicContact CB-CB 4.22Å; L126-W129 HydrophobicContact CB-CG 4.4Å; L126-W129 PolarHBondContact O-N 3.23Å; S127-W129 VanDerWaalsContact C-N 3.26Å; S127-W129 PolarHBondContact O-N 3.46Å
130G55.4Low70.4Confident19 Ų1971 Ų7120%0.19638%0.383CS..  trans151.5111.4167.600000116V128V128-G130 PolarHBondContact O-N 2.99Å
131F47.5Very low72.1Confident176 Ų17672.3 Ų72.377%0.77239%0.388SS*.  trans60147.1147-71.8-85.1000123.5
132G51.7Low73.3Confident43 Ų4371.3 Ų71.344%0.44338%0.383SS..  trans96.4113.1143.900000118.5K134 N139G132-K134 VanDerWaalsContact C-N 3.32Å; G132-K134 PolarHBondContact O-N 3.25Å; G132-N139 PolarHBondContact O-ND2 3.31Å
133A52.4Low74Confident95 Ų9574.4 Ų74.479%0.78539%0.394SS*.  trans-78.311-177.600000116.7
134K52.4Low74.6Confident177 Ų17774.9 Ų74.977%0.7740%0.399SS*.THydrogen-bonded Turntrans-147130-174.2-64-177.7-179.6179.70111.8G132 V206G132-K134 VanDerWaalsContact C-N 3.32Å; G132-K134 PolarHBondContact O-N 3.25Å; K134-V206 WeakPolarHBondContact O-CG2 3.4Å
135P60.3Low74.9Confident50 Ų5072 Ų7233%0.32538%0.38SS..THydrogen-bonded Turncis-80.1123.7-11.830.3-30.7000111.5I137 A138 N139 D204P135-I137 PolarHBondContact O-N 2.91Å; P135-A138 HydrophobicContact CG-CB 4.15Å; P135-A138 PolarHBondContact O-N 2.8Å; P135-N139 PolarHBondContact O-N 3.47Å; P135-D204 VanDerWaalsContact CG-O 3.27Å; P135-D204 WeakPolarHBondContact CG-O 3.23Å
136A71.9Confident75.3Confident70 Ų7069.5 Ų69.558%0.57937%0.368SS*.Hα-helixtrans-60.6-29.7-17300000114.1K140A136-K140 WeakPolarHBondContact O-CB 3.47Å; A136-K140 PolarHBondContact O-N 3.25Å; A136-K140 VanDerWaalsContact O-N 3.11Å
137I84.6Confident75.6Confident129 Ų12971 Ų7166%0.66238%0.376SS*.Hα-helixtrans-71-50-177.5-61167.8000110.7P135 N139 K140 L141P135-I137 PolarHBondContact O-N 2.91Å; I137-N139 PolarHBondContact O-N 3.3Å; I137-K140 WeakPolarHBondContact O-CB 3.3Å; I137-K140 PolarHBondContact O-N 2.9Å; I137-K140 VanDerWaalsContact O-N 3.16Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CD1 3.46Å; I137-L141 PolarHBondContact O-N 3.03Å
138A87.4Confident76.3Confident9 Ų972.7 Ų72.77%0.07439%0.385CS..Hα-helixtrans-65.2-40.9-177.600000111.7P135 K140 L141 I142 D204P135-A138 HydrophobicContact CG-CB 4.15Å; P135-A138 PolarHBondContact O-N 2.8Å; A138-K140 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.18Å; A138-L141 PolarHBondContact O-N 2.89Å; A138-L141 VanDerWaalsContact O-N 3.15Å; A138-I142 PolarHBondContact O-N 3.38Å; A138-I142 VanDerWaalsContact O-N 3.07Å; A138-D204 VanDerWaalsContact CB-C 3.47Å; A138-D204 HydrophobicContact CB-CB 4.02Å
139N86Confident77.5Confident7 Ų770.3 Ų70.34%0.03737%0.37CS..Hα-helixtrans-58-44.2172.8-69.43.2000111.4G132 P135 I137 L141 I142 W143 S205 V206G132-N139 PolarHBondContact O-ND2 3.31Å; P135-N139 PolarHBondContact O-N 3.47Å; I137-N139 PolarHBondContact O-N 3.3Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 2.87Å; N139-I142 PolarHBondContact O-N 3.5Å; N139-W143 VanDerWaalsContact O-CG 3.23Å; N139-W143 PolarHBondContact O-N 2.95Å; N139-S205 WeakPolarHBondContact OD1-CA 3.44Å; N139-S205 WeakPolarHBondContact OD1-CB 3.23Å; N139-V206 PolarHBondContact OD1-N 3.44Å
140K88.2Confident79.1Confident138 Ų13864.1 Ų64.160%0.635%0.35SS*.Hα-helixtrans-59-43.6175.4-178.3-173.8176.7-169.40111.8A136 I137 A138 W143 L144A136-K140 WeakPolarHBondContact O-CB 3.47Å; A136-K140 PolarHBondContact O-N 3.25Å; A136-K140 VanDerWaalsContact O-N 3.11Å; I137-K140 WeakPolarHBondContact O-CB 3.3Å; I137-K140 PolarHBondContact O-N 2.9Å; I137-K140 VanDerWaalsContact O-N 3.16Å; A138-K140 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.18Å; K140-W143 PolarHBondContact O-N 2.87Å; K140-L144 VanDerWaalsContact O-CB 3.27Å; K140-L144 WeakPolarHBondContact O-CB 3.5Å; K140-L144 PolarHBondContact O-N 2.81Å
141L90.7Very high81Confident42 Ų4267.9 Ų67.922%0.2237%0.365CS..Hα-helixtrans-63.3-46-179.5-92.672.1000112I137 A138 N139 W143 L144 S145 M198 A201I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CD1 3.46Å; I137-L141 PolarHBondContact O-N 3.03Å; A138-L141 PolarHBondContact O-N 2.89Å; A138-L141 VanDerWaalsContact O-N 3.15Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 2.87Å; L141-W143 PolarHBondContact O-N 3.32Å; L141-L144 PolarHBondContact O-N 3.24Å; L141-S145 PolarHBondContact O-N 2.87Å; L141-S145 PolarHBondContact O-OG 3.45Å; L141-M198 HydrophobicContact CB-CE 4.36Å; L141-M198 HydrophobicContact CG-CE 3.81Å; L141-A201 HydrophobicContact CD2-CB 3.75Å
142I89.8Confident83.4Confident8 Ų859.5 Ų59.54%0.04133%0.328CS..Hα-helixtrans-61.8-46.5177.2-66.1-162.5000110.9A138 N139 L144 S145 G146 G202 S205 I208A138-I142 PolarHBondContact O-N 3.38Å; A138-I142 VanDerWaalsContact O-N 3.07Å; N139-I142 PolarHBondContact O-N 3.5Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.15Å; I142-S145 WeakPolarHBondContact CA-OG 3.35Å; I142-S145 PolarHBondContact O-N 3.42Å; I142-S145 PolarHBondContact O-OG 3.05Å; I142-G146 PolarHBondContact O-N 2.89Å; I142-G202 WeakPolarHBondContact CD1-O 3.46Å; I142-G202 VanDerWaalsContact CG1-O 3.25Å; I142-G202 WeakPolarHBondContact CG1-O 3.43Å; I142-S205 VanDerWaalsContact CD1-CB 3.4Å; I142-S205 WeakPolarHBondContact CD1-OG 3.37Å; I142-I208 HydrophobicContact CD1-CB 4.5Å; I142-I208 HydrophobicContact CD1-CD1 3.32Å; I142-I208 HydrophobicContact CD1-CG1 3.68Å
143W87.5Confident85.5Confident102 Ų10257.8 Ų57.839%0.38631%0.309SS..Hα-helixtrans-64.9-41.4-179.1-63.6-10000111.9V128 N139 K140 L141 S145 G146 L147V128-W143 HydrophobicContact CG1-CG 4.42Å; N139-W143 VanDerWaalsContact O-CG 3.23Å; N139-W143 PolarHBondContact O-N 2.95Å; K140-W143 PolarHBondContact O-N 2.87Å; L141-W143 PolarHBondContact O-N 3.32Å; W143-S145 VanDerWaalsContact C-N 3.35Å; W143-S145 PolarHBondContact O-N 3.49Å; W143-G146 PolarHBondContact O-N 3.43Å; W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 2.82Å
144L91.8Very high87.6Confident70 Ų7056.8 Ų56.837%0.36630%0.296SS..Hα-helixtrans-63.3-42.8177.8-161.8124.3000110.9K140 L141 I142 L147 I148 M198K140-L144 VanDerWaalsContact O-CB 3.27Å; K140-L144 WeakPolarHBondContact O-CB 3.5Å; K140-L144 PolarHBondContact O-N 2.81Å; L141-L144 PolarHBondContact O-N 3.24Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.15Å; L144-L147 PolarHBondContact O-N 3.02Å; L144-I148 HydrophobicContact CD2-CD1 3.39Å; L144-I148 HydrophobicContact CD2-CG1 4.32Å; L144-I148 HydrophobicContact CG-CD1 4.1Å; L144-I148 WeakPolarHBondContact O-CB 2.99Å; L144-I148 WeakPolarHBondContact O-CG1 3.34Å; L144-I148 PolarHBondContact O-N 2.72Å; L144-M198 HydrophobicContact CB-CE 4.16Å; L144-M198 HydrophobicContact CD2-CE 3.37Å; L144-M198 HydrophobicContact CD2-SD 3.38Å; L144-M198 WeakPolarHBondContact CD2-SD 3.36Å; L144-M198 HydrophobicContact CG-CE 4.35Å
145S93Very high89.7Confident1 Ų150.1 Ų50.11%0.00727%0.268CS..Hα-helixtrans-64.2-38.4173.962.80000113.1L141 I142 W143 S149L141-S145 PolarHBondContact O-N 2.87Å; L141-S145 PolarHBondContact O-OG 3.45Å; I142-S145 WeakPolarHBondContact CA-OG 3.35Å; I142-S145 PolarHBondContact O-N 3.42Å; I142-S145 PolarHBondContact O-OG 3.05Å; W143-S145 VanDerWaalsContact C-N 3.35Å; W143-S145 PolarHBondContact O-N 3.49Å; S145-S149 WeakPolarHBondContact O-CB 3.38Å; S145-S149 PolarHBondContact O-N 2.91Å; S145-S149 PolarHBondContact O-OG 2.68Å
146G92.8Very high91.5Very high2 Ų247.8 Ų47.82%0.02125%0.253CS..Hα-helixtrans-62.8-41.4173.400000113.2W93 I142 W143 S149 M150W93-G146 PolarHBondContact NE1-O 3.15Å; I142-G146 PolarHBondContact O-N 2.89Å; W143-G146 PolarHBondContact O-N 3.43Å; G146-S149 WeakPolarHBondContact CA-OG 3.41Å; G146-S149 PolarHBondContact O-OG 3.46Å; G146-M150 WeakPolarHBondContact O-CG 3.34Å; G146-M150 PolarHBondContact O-N 2.98Å
147L92.6Very high92.6Very high106 Ų10647.5 Ų47.556%0.55525%0.246SC*.Hα-helixtrans-71.3-42.5176.8-70.6173.8000112.5W143 L144 S149 M150 I151W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 2.82Å; L144-L147 PolarHBondContact O-N 3.02Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-M150 WeakPolarHBondContact O-CB 3.48Å; L147-M150 PolarHBondContact O-N 3.03Å; L147-I151 WeakPolarHBondContact O-CG1 3.23Å; L147-I151 PolarHBondContact O-N 3.05Å
148I95.2Very high93.1Very high40 Ų4044.9 Ų44.921%0.20523%0.233CC..Hα-helixtrans-61.1-45.6175.5-71.8174.8000110.1L144 M150 I151 G152 I191 M198L144-I148 HydrophobicContact CD2-CD1 3.39Å; L144-I148 HydrophobicContact CD2-CG1 4.32Å; L144-I148 HydrophobicContact CG-CD1 4.1Å; L144-I148 WeakPolarHBondContact O-CB 2.99Å; L144-I148 WeakPolarHBondContact O-CG1 3.34Å; L144-I148 PolarHBondContact O-N 2.72Å; I148-M150 VanDerWaalsContact C-N 3.33Å; I148-M150 PolarHBondContact O-N 3.03Å; I148-I151 PolarHBondContact O-N 3.02Å; I148-G152 PolarHBondContact O-N 3.3Å; I148-I191 HydrophobicContact CG2-CG2 3.58Å; I148-I191 WeakPolarHBondContact CG2-O 3.49Å; I148-I191 WeakPolarHBondContact O-CG2 3.42Å; I148-M198 HydrophobicContact CD1-SD 4.39Å
149S95.1Very high93.4Very high1 Ų144.4 Ų44.41%0.00723%0.229CC..Hα-helixtrans-62.5-40176.347.40000112W93 S145 G146 L147 I151 G152 C153 S195W93-S149 PolarHBondContact NE1-OG 3.24Å; S145-S149 WeakPolarHBondContact O-CB 3.38Å; S145-S149 PolarHBondContact O-N 2.91Å; S145-S149 PolarHBondContact O-OG 2.68Å; G146-S149 WeakPolarHBondContact CA-OG 3.41Å; G146-S149 PolarHBondContact O-OG 3.46Å; L147-S149 VanDerWaalsContact C-N 3.34Å; S149-I151 PolarHBondContact O-N 3.45Å; S149-G152 PolarHBondContact O-N 3Å; S149-C153 PolarHBondContact O-N 3.16Å; S149-S195 WeakPolarHBondContact CB-OG 3.3Å
150M94.4Very high93.7Very high62 Ų6247 Ų4731%0.30524%0.24SC..Hα-helixtrans-56.6-47.9173.4-84-67.7177.500112.4W93 G146 L147 I148 G152 C153 C154W93-M150 HydrophobicContact CB-CE 4.05Å; W93-M150 HydrophobicContact CD2-CE 3.13Å; W93-M150 HydrophobicContact CD2-CG 4.34Å; W93-M150 HydrophobicContact CD2-SD 3.89Å; W93-M150 VanDerWaalsContact CE2-CE 3.49Å; W93-M150 HydrophobicContact CE3-CE 3.21Å; W93-M150 HydrophobicContact CE3-SD 3.95Å; W93-M150 HydrophobicContact CG-CE 3.51Å; W93-M150 HydrophobicContact CH2-CE 3.9Å; W93-M150 HydrophobicContact CH2-CG 4.42Å; W93-M150 HydrophobicContact CH2-SD 3.45Å; W93-M150 WeakPolarHBondContact CH2-SD 3.47Å; W93-M150 VanDerWaalsContact CZ2-CA 3.49Å; W93-M150 HydrophobicContact CZ2-CB 4.29Å; W93-M150 HydrophobicContact CZ2-CE 3.92Å; W93-M150 HydrophobicContact CZ2-CG 3.82Å; W93-M150 HydrophobicContact CZ2-SD 3.46Å; W93-M150 WeakPolarHBondContact CZ2-SD 3.39Å; W93-M150 HydrophobicContact CZ3-CE 3.56Å; W93-M150 HydrophobicContact CZ3-SD 3.7Å; G146-M150 WeakPolarHBondContact O-CG 3.34Å; G146-M150 PolarHBondContact O-N 2.98Å; L147-M150 WeakPolarHBondContact O-CB 3.48Å; L147-M150 PolarHBondContact O-N 3.03Å; I148-M150 VanDerWaalsContact C-N 3.33Å; I148-M150 PolarHBondContact O-N 3.03Å; M150-G152 VanDerWaalsContact C-N 3.32Å; M150-G152 PolarHBondContact O-N 3.5Å; M150-C153 PolarHBondContact O-N 3.19Å; M150-C154 PolarHBondContact O-N 3.29Å; M150-C154 PolarHBondContact O-SG 2.88Å
151I96Very high93.9Very high98 Ų9845.1 Ų45.150%0.50324%0.236SC..Hα-helixtrans-59.7-44.9176.7-65.5163.4000110.5L147 I148 S149 C153 C154 L155L147-I151 WeakPolarHBondContact O-CG1 3.23Å; L147-I151 PolarHBondContact O-N 3.05Å; I148-I151 PolarHBondContact O-N 3.02Å; S149-I151 PolarHBondContact O-N 3.45Å; I151-C153 PolarHBondContact O-N 3.27Å; I151-C154 PolarHBondContact O-N 3.48Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.19Å
152G97.3Very high93.8Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-58.3-46.8176.500000112.7I148 S149 M150 L155 L156I148-G152 PolarHBondContact O-N 3.3Å; S149-G152 PolarHBondContact O-N 3Å; M150-G152 VanDerWaalsContact C-N 3.32Å; M150-G152 PolarHBondContact O-N 3.5Å; G152-L155 WeakPolarHBondContact O-CB 3.3Å; G152-L155 PolarHBondContact O-N 2.98Å; G152-L156 PolarHBondContact O-N 3.27Å
153C96.6Very high93.8Very high6 Ų645.3 Ų45.34%0.04123%0.234CC..Hα-helixtrans-68.5-34.4177.6-71.10000113.2W93 S149 M150 I151 L155 L156 C157W93-C153 HydrophobicContact CH2-CB 3.36Å; W93-C153 WeakPolarHBondContact CH2-SG 3.23Å; W93-C153 HydrophobicContact CZ2-CB 3.79Å; W93-C153 VanDerWaalsContact CZ2-SG 3.51Å; S149-C153 PolarHBondContact O-N 3.16Å; M150-C153 PolarHBondContact O-N 3.19Å; I151-C153 PolarHBondContact O-N 3.27Å; C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 3.15Å; C153-L156 WeakPolarHBondContact O-CB 3.26Å; C153-L156 PolarHBondContact O-N 3.23Å; C153-C157 PolarHBondContact O-N 3.41Å; C153-C157 PolarHBondContact O-SG 2.8Å; C153-C157 VanDerWaalsContact O-SG 3.34Å
154C96.6Very high93.6Very high75 Ų7543 Ų4351%0.50723%0.234SC..Hα-helixtrans-60.1-42.1171.1-71.70000111.5M150 I151 L156 C157 I158M150-C154 PolarHBondContact O-N 3.29Å; M150-C154 PolarHBondContact O-SG 2.88Å; I151-C154 PolarHBondContact O-N 3.48Å; C154-L156 VanDerWaalsContact C-N 3.33Å; C154-L156 PolarHBondContact O-N 3.43Å; C154-C157 WeakPolarHBondContact O-CB 3.3Å; C154-C157 PolarHBondContact O-N 3.02Å; C154-I158 WeakPolarHBondContact O-CG1 3.45Å; C154-I158 PolarHBondContact O-N 3.46Å
155L96.7Very high93.2Very high37 Ų3743.3 Ų43.319%0.19424%0.235CC..Hα-helixtrans-64.4-35.6174.3-68172.8000112.4I151 G152 C153 I158 S159 L184 A188 I191I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.19Å; G152-L155 WeakPolarHBondContact O-CB 3.3Å; G152-L155 PolarHBondContact O-N 2.98Å; C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 3.15Å; L155-I158 PolarHBondContact O-N 3.42Å; L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.81Å; L155-S159 PolarHBondContact O-OG 3Å; L155-L184 HydrophobicContact CD2-CD2 4.39Å; L155-A188 HydrophobicContact CB-CB 3.8Å; L155-I191 HydrophobicContact CD1-CD1 3.69Å
156L97.2Very high92.6Very high0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-65.6-40.6172.2-67.1-175.8000112.4I21 T24 I25 G152 C153 C154 I158 S159 F160 L185 A188 L192 L240I21-L156 HydrophobicContact CG1-CD2 4.36Å; I21-L156 HydrophobicContact CG2-CB 4.27Å; T24-L156 HydrophobicContact CG2-CD1 3.89Å; I25-L156 HydrophobicContact CD1-CB 4.17Å; I25-L156 HydrophobicContact CG1-CB 4.43Å; I25-L156 HydrophobicContact CG1-CD1 4.19Å; G152-L156 PolarHBondContact O-N 3.27Å; C153-L156 WeakPolarHBondContact O-CB 3.26Å; C153-L156 PolarHBondContact O-N 3.23Å; C154-L156 VanDerWaalsContact C-N 3.33Å; C154-L156 PolarHBondContact O-N 3.43Å; L156-I158 VanDerWaalsContact C-N 3.33Å; L156-I158 PolarHBondContact O-N 2.88Å; L156-S159 WeakPolarHBondContact O-CB 3.37Å; L156-S159 PolarHBondContact O-N 3.18Å; L156-F160 WeakPolarHBondContact O-CB 3.45Å; L156-F160 PolarHBondContact O-N 2.04Å; L156-L185 HydrophobicContact CD2-CD2 4.03Å; L156-A188 HydrophobicContact CD2-CB 3.57Å; L156-A188 HydrophobicContact CG-CB 3.93Å; L156-L192 HydrophobicContact CD1-CD1 3.56Å; L156-L192 HydrophobicContact CG-CD1 4.12Å; L156-L240 HydrophobicContact CD1-CD1 4.01Å; L156-L240 HydrophobicContact CD2-CD1 3.97Å; L156-L240 HydrophobicContact CD2-CD2 3.85Å
157C96.3Very high91.7Very high65 Ų6547.6 Ų47.644%0.43926%0.257SS..Hα-helixtrans-62.3-40.7174.4-68.10000111.8C153 C154 F160 I161C153-C157 PolarHBondContact O-N 3.41Å; C153-C157 PolarHBondContact O-SG 2.8Å; C153-C157 VanDerWaalsContact O-SG 3.34Å; C154-C157 WeakPolarHBondContact O-CB 3.3Å; C154-C157 PolarHBondContact O-N 3.02Å; C157-F160 WeakPolarHBondContact O-CB 3.46Å; C157-F160 PolarHBondContact O-N 3.2Å; C157-I161 WeakPolarHBondContact O-CG1 3.22Å; C157-I161 PolarHBondContact O-N 3.11Å
158I94.2Very high90.7Very high73 Ų7346.6 Ų46.637%0.37426%0.258SS..Hα-helixtrans-63-46.4172.9-65.1165.7000109.8C154 L155 L156 F160 I161 F162 L184C154-I158 WeakPolarHBondContact O-CG1 3.45Å; C154-I158 PolarHBondContact O-N 3.46Å; L155-I158 PolarHBondContact O-N 3.42Å; L156-I158 VanDerWaalsContact C-N 3.33Å; L156-I158 PolarHBondContact O-N 2.88Å; I158-F160 VanDerWaalsContact C-N 3.26Å; I158-F160 PolarHBondContact O-N 3.31Å; I158-I161 WeakPolarHBondContact O-CB 3.39Å; I158-I161 PolarHBondContact O-N 3.32Å; I158-I161 VanDerWaalsContact O-N 3.08Å; I158-F162 HydrophobicContact CG2-CD2 3.86Å; I158-F162 HydrophobicContact CG2-CE2 3.62Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 2.7Å; I158-L184 HydrophobicContact CG2-CD1 4.19Å
159S93.9Very high89.4Confident0 Ų051.4 Ų51.40%028%0.278CS..Hα-helixtrans-57.4-40177.3-57.10000112.1L155 L156 I161 F162 I163 L184L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.81Å; L155-S159 PolarHBondContact O-OG 3Å; L156-S159 WeakPolarHBondContact O-CB 3.37Å; L156-S159 PolarHBondContact O-N 3.18Å; S159-I161 PolarHBondContact O-N 2.89Å; S159-F162 PolarHBondContact O-N 3.15Å; S159-I163 VanDerWaalsContact O-CG1 3.27Å; S159-I163 WeakPolarHBondContact O-CG1 3.41Å; S159-I163 PolarHBondContact O-N 3.29Å; S159-L184 VanDerWaalsContact OG-CB 3.28Å; S159-L184 WeakPolarHBondContact OG-CB 3.2Å
160F93.1Very high87.8Confident62 Ų6253.4 Ų53.427%0.27229%0.285SS..Hα-helixtrans-60.8-42.1175.7-175.7-86.9000112.7F18 I21 L156 C157 I158 I163 S164F18-F160 AromaticContact CD2-CD2 3.97Å; F18-F160 HydrophobicContact CD2-CD2 3.97Å; F18-F160 AromaticContact CD2-CE2 3.31Å; F18-F160 HydrophobicContact CD2-CE2 3.31Å; F18-F160 AromaticContact CD2-CZ 3.95Å; F18-F160 HydrophobicContact CD2-CZ 3.95Å; F18-F160 HydrophobicContact CE1-CE2 4.49Å; F18-F160 HydrophobicContact CE2-CD2 4.03Å; F18-F160 HydrophobicContact CE2-CE1 4.35Å; F18-F160 AromaticContact CE2-CE2 2.96Å; F18-F160 HydrophobicContact CE2-CE2 2.96Å; F18-F160 AromaticContact CE2-CZ 3.17Å; F18-F160 HydrophobicContact CE2-CZ 3.17Å; F18-F160 HydrophobicContact CG-CE2 4.24Å; F18-F160 AromaticContact CZ-CE2 3.62Å; F18-F160 HydrophobicContact CZ-CE2 3.62Å; F18-F160 AromaticContact CZ-CZ 3.77Å; F18-F160 HydrophobicContact CZ-CZ 3.77Å; I21-F160 HydrophobicContact CD1-CB 4.26Å; I21-F160 HydrophobicContact CD1-CD2 4.44Å; I21-F160 HydrophobicContact CG2-CD2 4.19Å; L156-F160 WeakPolarHBondContact O-CB 3.45Å; L156-F160 PolarHBondContact O-N 2.04Å; C157-F160 WeakPolarHBondContact O-CB 3.46Å; C157-F160 PolarHBondContact O-N 3.2Å; I158-F160 VanDerWaalsContact C-N 3.26Å; I158-F160 PolarHBondContact O-N 3.31Å; F160-I163 PolarHBondContact O-N 3.02Å; F160-S164 PolarHBondContact O-N 2.87Å; F160-S164 PolarHBondContact O-OG 3.39Å
161I91.4Very high86.4Confident98 Ų9856 Ų5650%0.50330%0.296SS..Hα-helixtrans-62.6-45.6174.6-64.8165.6000109.8C157 I158 S159 I163 S164 L165C157-I161 WeakPolarHBondContact O-CG1 3.22Å; C157-I161 PolarHBondContact O-N 3.11Å; I158-I161 WeakPolarHBondContact O-CB 3.39Å; I158-I161 PolarHBondContact O-N 3.32Å; I158-I161 VanDerWaalsContact O-N 3.08Å; S159-I161 PolarHBondContact O-N 2.89Å; I161-I163 PolarHBondContact O-N 3.3Å; I161-S164 WeakPolarHBondContact O-CB 3.43Å; I161-S164 PolarHBondContact O-N 3.39Å; I161-S164 VanDerWaalsContact O-N 3.16Å; I161-L165 HydrophobicContact CG2-CD1 4.13Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 2.89Å
162F88.6Confident84.6Confident50 Ų5054 Ų5422%0.21929%0.287CS..Hα-helixtrans-63-42178.5-83.1-117.1000112.2I158 S159 S164 L165 T166 I172 T181 L184I158-F162 HydrophobicContact CG2-CD2 3.86Å; I158-F162 HydrophobicContact CG2-CE2 3.62Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 2.7Å; S159-F162 PolarHBondContact O-N 3.15Å; F162-S164 VanDerWaalsContact C-N 3.26Å; F162-S164 PolarHBondContact O-N 2.85Å; F162-L165 WeakPolarHBondContact O-CB 3.15Å; F162-L165 PolarHBondContact O-N 3.45Å; F162-L165 VanDerWaalsContact O-N 3.13Å; F162-T166 PolarHBondContact O-N 3.01Å; F162-T166 PolarHBondContact O-OG1 3.16Å; F162-T166 VanDerWaalsContact O-OG1 3.04Å; F162-I172 HydrophobicContact CE1-CG2 4.19Å; F162-T181 HydrophobicContact CB-CG2 3.43Å; F162-T181 VanDerWaalsContact CB-CG2 3.43Å; F162-T181 HydrophobicContact CD1-CG2 4.44Å; F162-T181 HydrophobicContact CG-CG2 4.37Å; F162-L184 HydrophobicContact CD2-CD1 4.45Å; F162-L184 HydrophobicContact CE2-CD1 4.47Å; F162-L184 HydrophobicContact CG-CD1 4.48Å
163I89Confident82.5Confident3 Ų359.5 Ų59.52%0.01532%0.323CS..Hα-helixtrans-59.6-40.2174.4-68.4162.2000110.8W13 I14 A17 I21 S159 F160 I161 T166 T181W13-I163 HydrophobicContact CH2-CG1 4.11Å; I14-I163 HydrophobicContact CG1-CG2 4.47Å; I14-I163 HydrophobicContact CG2-CG2 4Å; A17-I163 HydrophobicContact CB-CD1 3.82Å; I21-I163 HydrophobicContact CD1-CD1 3.6Å; S159-I163 VanDerWaalsContact O-CG1 3.27Å; S159-I163 WeakPolarHBondContact O-CG1 3.41Å; S159-I163 PolarHBondContact O-N 3.29Å; F160-I163 PolarHBondContact O-N 3.02Å; I161-I163 PolarHBondContact O-N 3.3Å; I163-T166 VanDerWaalsContact O-CB 3.28Å; I163-T166 WeakPolarHBondContact O-CB 3.37Å; I163-T166 PolarHBondContact O-N 3.04Å; I163-T181 HydrophobicContact CG1-CG2 4.25Å
164S84.7Confident80.8Confident53 Ų5367 Ų6737%0.37136%0.363SS..Hα-helixtrans-66.1-38.7176.2-56.30000111.7F160 I161 F162 T166 L167F160-S164 PolarHBondContact O-N 2.87Å; F160-S164 PolarHBondContact O-OG 3.39Å; I161-S164 WeakPolarHBondContact O-CB 3.43Å; I161-S164 PolarHBondContact O-N 3.39Å; I161-S164 VanDerWaalsContact O-N 3.16Å; F162-S164 VanDerWaalsContact C-N 3.26Å; F162-S164 PolarHBondContact O-N 2.85Å; S164-T166 VanDerWaalsContact C-N 3.33Å; S164-T166 PolarHBondContact O-N 3.49Å; S164-L167 WeakPolarHBondContact O-CB 3.22Å; S164-L167 PolarHBondContact O-N 2.58Å
165L82.4Confident79.5Confident78 Ų7870 Ų7041%0.40837%0.369SS..Hα-helixtrans-67.2-30.9175.6-68.9174000112.7I161 F162 L167 C168 K169I161-L165 HydrophobicContact CG2-CD1 4.13Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CG 3.39Å; I161-L165 PolarHBondContact O-N 2.89Å; F162-L165 WeakPolarHBondContact O-CB 3.15Å; F162-L165 PolarHBondContact O-N 3.45Å; F162-L165 VanDerWaalsContact O-N 3.13Å; L165-L167 PolarHBondContact O-N 3.24Å; L165-L167 VanDerWaalsContact O-N 3.1Å; L165-C168 CarbonylContact O-C 3.45Å; L165-C168 PolarHBondContact O-N 3.44Å; L165-K169 PolarHBondContact O-N 3.03Å
166T79.8Confident78.5Confident3 Ų369.6 Ų69.62%0.01837%0.37CS..Hα-helixtrans-54.2-29.4175.2-57.90000112.9F162 I163 S164 C168 V177 F178F162-T166 PolarHBondContact O-N 3.01Å; F162-T166 PolarHBondContact O-OG1 3.16Å; F162-T166 VanDerWaalsContact O-OG1 3.04Å; I163-T166 VanDerWaalsContact O-CB 3.28Å; I163-T166 WeakPolarHBondContact O-CB 3.37Å; I163-T166 PolarHBondContact O-N 3.04Å; S164-T166 VanDerWaalsContact C-N 3.33Å; S164-T166 PolarHBondContact O-N 3.49Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.42Å; T166-V177 WeakPolarHBondContact OG1-CG1 3.3Å; T166-F178 HydrophobicContact CG2-CD1 4.43Å; T166-F178 HydrophobicContact CG2-CE1 3.47Å; T166-F178 VanDerWaalsContact CG2-CE1 3.47Å; T166-F178 HydrophobicContact CG2-CE2 4.23Å; T166-F178 HydrophobicContact CG2-CZ 3.31Å
167L74Confident77.8Confident89 Ų8969.8 Ų69.847%0.46637%0.371SS..THydrogen-bonded Turntrans-67.7-27.5176-60176.9000112.6I14 S164 L165 F272I14-L167 HydrophobicContact CD1-CD2 3.85Å; S164-L167 WeakPolarHBondContact O-CB 3.22Å; S164-L167 PolarHBondContact O-N 2.58Å; L165-L167 PolarHBondContact O-N 3.24Å; L165-L167 VanDerWaalsContact O-N 3.1Å; L167-F272 HydrophobicContact CD2-CD2 4.28Å; L167-F272 HydrophobicContact CD2-CE2 3.97Å
168C72Confident77.2Confident85 Ų8566.7 Ų66.757%0.57435%0.35SS*.THydrogen-bonded Turntrans-110.6-33.7-172.7-60.80000113.9L165 T166L165-C168 CarbonylContact O-C 3.45Å; L165-C168 PolarHBondContact O-N 3.44Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.42Å
169K67.4Low76.8Confident142 Ų14265.7 Ų65.762%0.61735%0.349SS*.  trans-142.2128.7-177.5-70.8-167.9176.3-174.90110.5L165L165-K169 PolarHBondContact O-N 3.03Å
170R63.4Low76.5Confident42 Ų4267.7 Ų67.716%0.15836%0.363CS..SBendtrans-88.6-28-174.1-162.1-178.277.7172.22.9114.7V177 F178 V271R170-V177 WeakPolarHBondContact O-CG2 3.44Å; R170-V177 PolarHBondContact O-N 3.02Å; R170-F178 HydrophobicContact CG-CE2 4.27Å; R170-V271 HydrophobicContact CB-CG2 4.5Å; R170-V271 HydrophobicContact CG-CG2 3.91Å
171E63.4Low76.4Confident116 Ų11664.8 Ų64.854%0.54235%0.35SS..EExtended strand (participates in β ladder)trans-122.1130.8-174-72.5165.3-155.300108.9
172I58.6Low76.5Confident58 Ų5860.5 Ų60.530%0.29733%0.33SS..EExtended strand (participates in β ladder)trans-129.6124.7175.2-146.483.6000106.9F162 D174 H175 V177F162-I172 HydrophobicContact CE1-CG2 4.19Å; I172-D174 PolarHBondContact O-N 3.31Å; I172-H175 PolarHBondContact N-O 3.01Å; I172-H175 PolarHBondContact O-N 3.12Å; I172-H175 VanDerWaalsContact O-N 3.12Å; I172-V177 HydrophobicContact CB-CG2 3.9Å; I172-V177 HydrophobicContact CG2-CG2 4.04Å
173C53.3Low76.7Confident114 Ų11461.8 Ų61.877%0.7735%0.346SS*.THydrogen-bonded Turntrans49.249.3179-570000114.2H175C173-H175 PolarHBondContact O-N 3.47Å
174D62Low76.9Confident163 Ų16363.2 Ų63.287%0.87235%0.353SS*.THydrogen-bonded Turntrans60.10-179.8-56.6-32.9000116.5I172I172-D174 PolarHBondContact O-N 3.31Å
175H67.9Low77.4Confident138 Ų13860.7 Ų60.764%0.63934%0.335SS*.EExtended strand (participates in β ladder)trans-104.8148.6174.7-79.1-75.1000111.1I172 C173 V177I172-H175 PolarHBondContact N-O 3.01Å; I172-H175 PolarHBondContact O-N 3.12Å; I172-H175 VanDerWaalsContact O-N 3.12Å; C173-H175 PolarHBondContact O-N 3.47Å; H175-V177 PolarHBondContact O-N 3.4Å
176S76.5Confident78.1Confident30 Ų3058 Ų5821%0.2133%0.326CS..EExtended strand (participates in β ladder)trans-63.1126.7173.7173.90000109.9F178 S179 C180 D251S176-F178 PolarHBondContact O-N 2.96Å; S176-F178 PolarHBondContact OG-N 3.3Å; S176-S179 PolarHBondContact O-N 2.86Å; S176-C180 PolarHBondContact O-N 2.64Å; S176-C180 VanDerWaalsContact O-N 3.17Å; S176-D251 WeakPolarHBondContact CB-OD1 3.45Å; S176-D251 PolarHBondContact OG-OD1 2.79Å
177V81.2Confident78.9Confident3 Ų359.9 Ų59.92%0.01834%0.34CS..Hα-helixtrans-56.4-35.2177.1175.40000110.5T166 R170 I172 H175 S179 C180 T181T166-V177 WeakPolarHBondContact OG1-CG1 3.3Å; R170-V177 WeakPolarHBondContact O-CG2 3.44Å; R170-V177 PolarHBondContact O-N 3.02Å; I172-V177 HydrophobicContact CB-CG2 3.9Å; I172-V177 HydrophobicContact CG2-CG2 4.04Å; H175-V177 PolarHBondContact O-N 3.4Å; V177-S179 PolarHBondContact O-N 2.76Å; V177-C180 PolarHBondContact O-N 3.45Å; V177-T181 HydrophobicContact CG1-CG2 4.07Å; V177-T181 WeakPolarHBondContact O-CB 3.39Å; V177-T181 VanDerWaalsContact O-CG2 3.31Å; V177-T181 WeakPolarHBondContact O-CG2 3.5Å; V177-T181 PolarHBondContact O-N 3.04Å; V177-T181 PolarHBondContact O-OG1 2.82Å
178F84.4Confident80Confident1 Ų155.7 Ų55.70%0.00432%0.317CS..Hα-helixtrans-64.3-39.2177.7-59.8-76.9000113.2L10 W13 T166 R170 S176 T181 G182 S247 V250 D251 I254L10-F178 HydrophobicContact CD1-CE1 3.62Å; L10-F178 HydrophobicContact CD1-CE2 4.27Å; L10-F178 HydrophobicContact CD1-CZ 3.32Å; L10-F178 HydrophobicContact CG-CE1 4.03Å; L10-F178 HydrophobicContact CG-CZ 4.18Å; W13-F178 HydrophobicContact CE3-CD1 4.04Å; W13-F178 HydrophobicContact CE3-CE1 4.04Å; W13-F178 HydrophobicContact CH2-CD1 4.01Å; W13-F178 AromaticContact CZ3-CD1 3.63Å; W13-F178 HydrophobicContact CZ3-CD1 3.63Å; W13-F178 AromaticContact CZ3-CE1 3.73Å; W13-F178 HydrophobicContact CZ3-CE1 3.73Å; T166-F178 HydrophobicContact CG2-CD1 4.43Å; T166-F178 HydrophobicContact CG2-CE1 3.47Å; T166-F178 VanDerWaalsContact CG2-CE1 3.47Å; T166-F178 HydrophobicContact CG2-CE2 4.23Å; T166-F178 HydrophobicContact CG2-CZ 3.31Å; R170-F178 HydrophobicContact CG-CE2 4.27Å; S176-F178 PolarHBondContact O-N 2.96Å; S176-F178 PolarHBondContact OG-N 3.3Å; F178-T181 VanDerWaalsContact CA-OG1 3.28Å; F178-T181 WeakPolarHBondContact CA-OG1 3.12Å; F178-T181 PolarHBondContact O-OG1 2.94Å; F178-G182 PolarHBondContact O-N 2.88Å; F178-S247 PolarHBondContact O-OG 3.26Å; F178-V250 HydrophobicContact CD1-CG1 3.73Å; F178-V250 HydrophobicContact CE1-CG1 3.93Å; F178-V250 HydrophobicContact CG-CG1 4.08Å; F178-V250 HydrophobicContact CZ-CG1 4.46Å; F178-D251 HydrophobicContact CB-CB 4.2Å; F178-I254 HydrophobicContact CD2-CD1 3.8Å; F178-I254 HydrophobicContact CE2-CD1 3.48Å; F178-I254 VanDerWaalsContact CE2-CD1 3.48Å; F178-I254 HydrophobicContact CZ-CD1 3.97Å
179S86Confident81.2Confident52 Ų5251.9 Ų51.936%0.36429%0.292SS..Hα-helixtrans-66.6-47.4177.1-168.40000110S176 V177 G182 S183S176-S179 PolarHBondContact O-N 2.86Å; V177-S179 PolarHBondContact O-N 2.76Å; S179-G182 PolarHBondContact O-N 2.86Å; S179-S183 PolarHBondContact O-N 2.98Å; S179-S183 PolarHBondContact O-OG 2.92Å
180C88.2Confident82.6Confident42 Ų4250.3 Ų50.328%0.28429%0.289SS..Hα-helixtrans-61.2-47.8177.6-173.30000112.4S176 V177 G182 S183 L184S176-C180 PolarHBondContact O-N 2.64Å; S176-C180 VanDerWaalsContact O-N 3.17Å; V177-C180 PolarHBondContact O-N 3.45Å; C180-G182 VanDerWaalsContact C-N 3.34Å; C180-G182 PolarHBondContact O-N 3.34Å; C180-S183 PolarHBondContact O-N 3.05Å; C180-L184 WeakPolarHBondContact O-CG 3.46Å; C180-L184 PolarHBondContact O-N 2.87Å
181T91.3Very high84.3Confident0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-61.3-42.5176.1510000111.7W13 F162 I163 V177 F178 S183 L184 L185W13-T181 HydrophobicContact CH2-CG2 4.47Å; W13-T181 WeakPolarHBondContact CH2-OG1 3.3Å; F162-T181 HydrophobicContact CB-CG2 3.43Å; F162-T181 VanDerWaalsContact CB-CG2 3.43Å; F162-T181 HydrophobicContact CD1-CG2 4.44Å; F162-T181 HydrophobicContact CG-CG2 4.37Å; I163-T181 HydrophobicContact CG1-CG2 4.25Å; V177-T181 HydrophobicContact CG1-CG2 4.07Å; V177-T181 WeakPolarHBondContact O-CB 3.39Å; V177-T181 VanDerWaalsContact O-CG2 3.31Å; V177-T181 WeakPolarHBondContact O-CG2 3.5Å; V177-T181 PolarHBondContact O-N 3.04Å; V177-T181 PolarHBondContact O-OG1 2.82Å; F178-T181 VanDerWaalsContact CA-OG1 3.28Å; F178-T181 WeakPolarHBondContact CA-OG1 3.12Å; F178-T181 PolarHBondContact O-OG1 2.94Å; T181-S183 VanDerWaalsContact C-N 3.35Å; T181-S183 PolarHBondContact O-N 3.42Å; T181-L184 PolarHBondContact O-N 2.79Å; T181-L185 WeakPolarHBondContact O-CB 3.06Å; T181-L185 VanDerWaalsContact O-CG 3.23Å; T181-L185 WeakPolarHBondContact O-CG 2.98Å; T181-L185 PolarHBondContact O-N 3.34Å
182G92.1Very high85.9Confident8 Ų845.2 Ų45.28%0.08227%0.268CS..Hα-helixtrans-61.2-44.2178.300000111.8F178 S179 C180 G186 S247F178-G182 PolarHBondContact O-N 2.88Å; S179-G182 PolarHBondContact O-N 2.86Å; C180-G182 VanDerWaalsContact C-N 3.34Å; C180-G182 PolarHBondContact O-N 3.34Å; G182-G186 PolarHBondContact O-N 2.9Å; G182-S247 WeakPolarHBondContact CA-OG 3.46Å; G182-S247 PolarHBondContact N-OG 2.91Å
183S92.1Very high87.7Confident78 Ų7845.8 Ų45.855%0.54527%0.272SS..Hα-helixtrans-64.3-43.1175.1-61.40000112.6S179 C180 T181 G186 S187S179-S183 PolarHBondContact O-N 2.98Å; S179-S183 PolarHBondContact O-OG 2.92Å; C180-S183 PolarHBondContact O-N 3.05Å; T181-S183 VanDerWaalsContact C-N 3.35Å; T181-S183 PolarHBondContact O-N 3.42Å; S183-G186 PolarHBondContact O-N 3.34Å; S183-S187 WeakPolarHBondContact O-CB 3.27Å; S183-S187 PolarHBondContact O-N 3.22Å; S183-S187 PolarHBondContact O-OG 2.97Å
184L94.5Very high89.8Confident33 Ų3344 Ų4417%0.17326%0.257CS..Hα-helixtrans-63.3-47.3177.2-71.8171.1000111.5L155 I158 S159 F162 C180 T181 G186 S187 A188L155-L184 HydrophobicContact CD2-CD2 4.39Å; I158-L184 HydrophobicContact CG2-CD1 4.19Å; S159-L184 VanDerWaalsContact OG-CB 3.28Å; S159-L184 WeakPolarHBondContact OG-CB 3.2Å; F162-L184 HydrophobicContact CD2-CD1 4.45Å; F162-L184 HydrophobicContact CE2-CD1 4.47Å; F162-L184 HydrophobicContact CG-CD1 4.48Å; C180-L184 WeakPolarHBondContact O-CG 3.46Å; C180-L184 PolarHBondContact O-N 2.87Å; T181-L184 PolarHBondContact O-N 2.79Å; L184-G186 PolarHBondContact O-N 3.01Å; L184-S187 PolarHBondContact O-N 3.37Å; L184-S187 PolarHBondContact O-OG 3.32Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.29Å
185L95.8Very high91.4Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-57.9-48175.4-70.9173.2000111.5W13 A17 I21 L156 T181 S187 A188 D189 L240 A244W13-L185 HydrophobicContact CZ2-CD1 4.38Å; A17-L185 HydrophobicContact CB-CD1 4.42Å; I21-L185 HydrophobicContact CD1-CD2 3.98Å; I21-L185 HydrophobicContact CG1-CD2 4.06Å; L156-L185 HydrophobicContact CD2-CD2 4.03Å; T181-L185 WeakPolarHBondContact O-CB 3.06Å; T181-L185 VanDerWaalsContact O-CG 3.23Å; T181-L185 WeakPolarHBondContact O-CG 2.98Å; T181-L185 PolarHBondContact O-N 3.34Å; L185-S187 PolarHBondContact O-N 2.68Å; L185-A188 PolarHBondContact O-N 2.79Å; L185-D189 VanDerWaalsContact O-CB 3.3Å; L185-D189 WeakPolarHBondContact O-CB 3.34Å; L185-D189 PolarHBondContact O-N 3.29Å; L185-L240 HydrophobicContact CD2-CD2 3.88Å; L185-A244 HydrophobicContact CB-CB 4.42Å
186G95.9Very high92.7Very high20 Ų2030.8 Ų30.821%0.20619%0.191CC..Hα-helixtrans-64.7-39.3178.500000113.3G182 S183 L184 D189 L190G182-G186 PolarHBondContact O-N 2.9Å; S183-G186 PolarHBondContact O-N 3.34Å; L184-G186 PolarHBondContact O-N 3.01Å; G186-D189 PolarHBondContact O-N 2.92Å; G186-L190 WeakPolarHBondContact O-CG 3.13Å; G186-L190 PolarHBondContact O-N 3.32Å; G186-L190 VanDerWaalsContact O-N 3.15Å
187S95.9Very high93.6Very high44 Ų4434 Ų3431%0.30821%0.205SC..Hα-helixtrans-66.5-42176.369.70000112.1S183 L184 L185 D189 I191S183-S187 WeakPolarHBondContact O-CB 3.27Å; S183-S187 PolarHBondContact O-N 3.22Å; S183-S187 PolarHBondContact O-OG 2.97Å; L184-S187 PolarHBondContact O-N 3.37Å; L184-S187 PolarHBondContact O-OG 3.32Å; L185-S187 PolarHBondContact O-N 2.68Å; S187-D189 VanDerWaalsContact C-N 3.34Å; S187-I191 WeakPolarHBondContact O-CD1 3.2Å; S187-I191 VanDerWaalsContact O-CG1 3.27Å; S187-I191 WeakPolarHBondContact O-CG1 3.35Å; S187-I191 PolarHBondContact O-N 3.26Å
188A97.8Very high94.3Very high0 Ų036 Ų360%022%0.215CC..Hα-helixtrans-63.3-42.3175.200000111.1L155 L156 L184 L185 I191 L192L155-A188 HydrophobicContact CB-CB 3.8Å; L156-A188 HydrophobicContact CD2-CB 3.57Å; L156-A188 HydrophobicContact CG-CB 3.93Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.29Å; L185-A188 PolarHBondContact O-N 2.79Å; A188-I191 PolarHBondContact O-N 2.62Å; A188-L192 WeakPolarHBondContact O-CB 3.23Å; A188-L192 VanDerWaalsContact O-CG 3.22Å; A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.12Å
189D97.4Very high94.7Very high6 Ų636.3 Ų36.33%0.03222%0.216CC..Hα-helixtrans-58.3-48.9178.7-171.363.9000112.4L185 G186 S187 I191 L192 L193 I237 L240L185-D189 VanDerWaalsContact O-CB 3.3Å; L185-D189 WeakPolarHBondContact O-CB 3.34Å; L185-D189 PolarHBondContact O-N 3.29Å; G186-D189 PolarHBondContact O-N 2.92Å; S187-D189 VanDerWaalsContact C-N 3.34Å; D189-I191 VanDerWaalsContact C-N 3.35Å; D189-I191 PolarHBondContact O-N 3.04Å; D189-L192 PolarHBondContact O-N 2.91Å; D189-L193 VanDerWaalsContact O-CB 3.32Å; D189-L193 WeakPolarHBondContact O-CB 3.04Å; D189-L193 PolarHBondContact O-N 2.85Å; D189-I237 VanDerWaalsContact OD1-CA 3.3Å; D189-I237 WeakPolarHBondContact OD1-CA 3.42Å; D189-I237 VanDerWaalsContact OD1-CG2 3.22Å; D189-I237 WeakPolarHBondContact OD1-CG2 3.32Å; D189-L240 HydrophobicContact CB-CB 4.4Å
190L97.4Very high95.1Very high109 Ų10934.8 Ų34.857%0.57121%0.205SC*.Hα-helixtrans-63-39.8178-68.4175.1000112.8G186 T194G186-L190 WeakPolarHBondContact O-CG 3.13Å; G186-L190 PolarHBondContact O-N 3.32Å; G186-L190 VanDerWaalsContact O-N 3.15Å; L190-T194 WeakPolarHBondContact O-CB 3.35Å; L190-T194 PolarHBondContact O-N 2.64Å; L190-T194 PolarHBondContact O-OG1 3.04Å
191I97.7Very high95.3Very high50 Ų5033.8 Ų33.826%0.25620%0.2SC..Hα-helixtrans-64.5-45.7176.9-71.3170.1000110I148 L155 S187 A188 D189 T194 S195I148-I191 HydrophobicContact CG2-CG2 3.58Å; I148-I191 WeakPolarHBondContact CG2-O 3.49Å; I148-I191 WeakPolarHBondContact O-CG2 3.42Å; L155-I191 HydrophobicContact CD1-CD1 3.69Å; S187-I191 WeakPolarHBondContact O-CD1 3.2Å; S187-I191 VanDerWaalsContact O-CG1 3.27Å; S187-I191 WeakPolarHBondContact O-CG1 3.35Å; S187-I191 PolarHBondContact O-N 3.26Å; A188-I191 PolarHBondContact O-N 2.62Å; D189-I191 VanDerWaalsContact C-N 3.35Å; D189-I191 PolarHBondContact O-N 3.04Å; I191-T194 WeakPolarHBondContact O-CB 3.17Å; I191-T194 PolarHBondContact O-N 3.42Å; I191-S195 PolarHBondContact O-N 3.18Å
192L97.7Very high95.3Very high0 Ų033.8 Ų33.80%020%0.2CC..Hα-helixtrans-67-42178.7-69.1169.3000111.6T24 F28 L156 A188 D189 T194 S195 I196 I237 L240T24-L192 HydrophobicContact CG2-CD1 3.78Å; F28-L192 HydrophobicContact CD2-CD2 4.21Å; F28-L192 HydrophobicContact CE1-CD2 4.32Å; F28-L192 HydrophobicContact CE2-CB 4.32Å; F28-L192 HydrophobicContact CE2-CD2 3.75Å; F28-L192 HydrophobicContact CE2-CG 4.44Å; F28-L192 HydrophobicContact CZ-CB 4.27Å; F28-L192 HydrophobicContact CZ-CD2 3.79Å; L156-L192 HydrophobicContact CD1-CD1 3.56Å; L156-L192 HydrophobicContact CG-CD1 4.12Å; A188-L192 WeakPolarHBondContact O-CB 3.23Å; A188-L192 VanDerWaalsContact O-CG 3.22Å; A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.12Å; D189-L192 PolarHBondContact O-N 2.91Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.28Å; L192-S195 WeakPolarHBondContact CA-OG 3.2Å; L192-S195 WeakPolarHBondContact O-CA 3.5Å; L192-S195 WeakPolarHBondContact O-CB 3.44Å; L192-S195 PolarHBondContact O-N 2.91Å; L192-S195 PolarHBondContact O-OG 3.5Å; L192-I196 WeakPolarHBondContact O-CG1 3.5Å; L192-I196 PolarHBondContact O-N 3.31Å; L192-I237 HydrophobicContact CB-CD1 4.13Å; L192-I237 HydrophobicContact CB-CG1 4.39Å; L192-L240 HydrophobicContact CD1-CD1 4.49Å
193L97.5Very high95.3Very high71 Ų7134.6 Ų34.637%0.37220%0.2SC..Hα-helixtrans-57-45.1173.9-179.661.9000111.3D189 S195 I196 I197 I237D189-L193 VanDerWaalsContact O-CB 3.32Å; D189-L193 WeakPolarHBondContact O-CB 3.04Å; D189-L193 PolarHBondContact O-N 2.85Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; L193-I196 PolarHBondContact O-N 3.27Å; L193-I197 HydrophobicContact CD1-CD1 4.15Å; L193-I197 HydrophobicContact CG-CD1 4.09Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 3.44Å; L193-I197 VanDerWaalsContact O-N 3.12Å; L193-I237 HydrophobicContact CB-CD1 4.47Å; L193-I237 HydrophobicContact CD1-CG2 4.43Å
194T96.5Very high95.2Very high75 Ų7533.4 Ų33.446%0.4619%0.187SC..Hα-helixtrans-60.7-41.8175.4-55.50000111.2L190 I191 L192 I196 I197 M198L190-T194 WeakPolarHBondContact O-CB 3.35Å; L190-T194 PolarHBondContact O-N 2.64Å; L190-T194 PolarHBondContact O-OG1 3.04Å; I191-T194 WeakPolarHBondContact O-CB 3.17Å; I191-T194 PolarHBondContact O-N 3.42Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.28Å; T194-I196 PolarHBondContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 2.95Å; T194-M198 VanDerWaalsContact O-CB 3.24Å; T194-M198 WeakPolarHBondContact O-CB 3.32Å; T194-M198 PolarHBondContact O-N 2.9Å
195S95.8Very high94.9Very high2 Ų231.8 Ų31.81%0.01418%0.179CC..Hα-helixtrans-63.7-40.3178.478.40000113.1S149 I191 L192 L193 M198 W199S149-S195 WeakPolarHBondContact CB-OG 3.3Å; I191-S195 PolarHBondContact O-N 3.18Å; L192-S195 WeakPolarHBondContact CA-OG 3.2Å; L192-S195 WeakPolarHBondContact O-CA 3.5Å; L192-S195 WeakPolarHBondContact O-CB 3.44Å; L192-S195 PolarHBondContact O-N 2.91Å; L192-S195 PolarHBondContact O-OG 3.5Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; S195-M198 PolarHBondContact O-N 3.49Å; S195-W199 WeakPolarHBondContact O-CB 3.47Å; S195-W199 PolarHBondContact O-N 2.91Å
196I95.7Very high94.4Very high23 Ų2333.1 Ų33.112%0.11819%0.187CC..Hα-helixtrans-67.4-41.2178.7-65.9-176.3000111.2F28 W33 L192 L193 T194 M198 P200 S233 I237F28-I196 HydrophobicContact CE1-CG1 4.18Å; F28-I196 HydrophobicContact CE2-CD1 4.33Å; F28-I196 HydrophobicContact CE2-CG1 4.47Å; F28-I196 HydrophobicContact CZ-CD1 3.89Å; F28-I196 HydrophobicContact CZ-CG1 3.57Å; W33-I196 HydrophobicContact CH2-CD1 4.28Å; W33-I196 HydrophobicContact CH2-CG1 4.04Å; L192-I196 WeakPolarHBondContact O-CG1 3.5Å; L192-I196 PolarHBondContact O-N 3.31Å; L193-I196 PolarHBondContact O-N 3.27Å; T194-I196 PolarHBondContact O-N 3.08Å; I196-M198 VanDerWaalsContact C-N 3.28Å; I196-M198 PolarHBondContact O-N 2.87Å; I196-P200 WeakPolarHBondContact O-CD 3.47Å; I196-S233 VanDerWaalsContact CD1-OG 3.23Å; I196-S233 WeakPolarHBondContact CD1-OG 3.48Å; I196-I237 HydrophobicContact CD1-CD1 3.25Å; I196-I237 HydrophobicContact CG1-CD1 4.21Å
197I95.8Very high93.9Very high96 Ų9632.4 Ų32.449%0.49218%0.179SC..Hα-helixtrans-66.2-39.1177.8-65.5166.1000109.6L193 T194 Y219L193-I197 HydrophobicContact CD1-CD1 4.15Å; L193-I197 HydrophobicContact CG-CD1 4.09Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 3.44Å; L193-I197 VanDerWaalsContact O-N 3.12Å; T194-I197 PolarHBondContact O-N 2.95Å; I197-Y219 PolarHBondContact O-OH 3.43Å
198M94.3Very high93.5Very high47 Ų4730.4 Ų30.423%0.23216%0.164CC..Hα-helixtrans-75-32.5-177.1-170.8164.7-16500114L141 L144 I148 T194 S195 I196 A201L141-M198 HydrophobicContact CB-CE 4.36Å; L141-M198 HydrophobicContact CG-CE 3.81Å; L144-M198 HydrophobicContact CB-CE 4.16Å; L144-M198 HydrophobicContact CD2-CE 3.37Å; L144-M198 HydrophobicContact CD2-SD 3.38Å; L144-M198 WeakPolarHBondContact CD2-SD 3.36Å; L144-M198 HydrophobicContact CG-CE 4.35Å; I148-M198 HydrophobicContact CD1-SD 4.39Å; T194-M198 VanDerWaalsContact O-CB 3.24Å; T194-M198 WeakPolarHBondContact O-CB 3.32Å; T194-M198 PolarHBondContact O-N 2.9Å; S195-M198 PolarHBondContact O-N 3.49Å; I196-M198 VanDerWaalsContact C-N 3.28Å; I196-M198 PolarHBondContact O-N 2.87Å; M198-A201 WeakPolarHBondContact O-CB 3.24Å; M198-A201 PolarHBondContact O-N 3.02Å; M198-A201 VanDerWaalsContact O-N 3.16Å
199W93.4Very high93Very high7 Ų735.4 Ų35.43%0.02718%0.183CC..Hα-helixtrans-61.2-46.4-173.4-173.183.2000113.5W33 L34 P92 S195 A201 G202 W203 I208W33-W199 HydrophobicContact CB-CH2 3.68Å; W33-W199 HydrophobicContact CB-CZ2 4.45Å; W33-W199 HydrophobicContact CB-CZ3 4Å; W33-W199 HydrophobicContact CD2-CZ3 4.46Å; W33-W199 HydrophobicContact CE3-CD2 4.48Å; W33-W199 AromaticContact CE3-CE3 3.85Å; W33-W199 HydrophobicContact CE3-CE3 3.85Å; W33-W199 HydrophobicContact CE3-CH2 4.45Å; W33-W199 AromaticContact CE3-CZ3 3.82Å; W33-W199 HydrophobicContact CE3-CZ3 3.82Å; W33-W199 HydrophobicContact CG-CH2 4.42Å; W33-W199 HydrophobicContact CZ3-CE3 4.4Å; L34-W199 HydrophobicContact CD1-CH2 3.67Å; L34-W199 HydrophobicContact CD1-CZ3 4.11Å; L34-W199 HydrophobicContact CG-CH2 3.8Å; L34-W199 HydrophobicContact CG-CZ3 4.14Å; P92-W199 HydrophobicContact CG-CD2 4.35Å; P92-W199 HydrophobicContact CG-CG 4.38Å; S195-W199 WeakPolarHBondContact O-CB 3.47Å; S195-W199 PolarHBondContact O-N 2.91Å; W199-A201 VanDerWaalsContact C-N 3.28Å; W199-A201 PolarHBondContact O-N 3.46Å; W199-G202 PolarHBondContact O-N 2.72Å; W199-G202 VanDerWaalsContact O-N 3.15Å; W199-W203 AromaticContact CD2-NE1 3.76Å; W199-W203 AromaticContact CE3-CE2 3.89Å; W199-W203 HydrophobicContact CE3-CZ2 4.06Å; W199-W203 AromaticContact CE3-NE1 3.14Å; W199-W203 AromaticContact CH2-NE1 3.59Å; W199-W203 AromaticContact CZ3-CE2 3.63Å; W199-W203 AromaticContact CZ3-CZ2 3.66Å; W199-W203 HydrophobicContact CZ3-CZ2 3.66Å; W199-W203 AromaticContact CZ3-NE1 3.05Å; W199-I208 HydrophobicContact CH2-CD1 4.41Å; W199-I208 HydrophobicContact CZ2-CD1 4.03Å
200P94.2Very high92.3Very high20 Ų2039.6 Ų39.613%0.1320%0.203CC..Hα-helixtrans-62.2-28.1173.4-2434.9000115.3I196 G202 W203 Y219I196-P200 WeakPolarHBondContact O-CD 3.47Å; P200-G202 PolarHBondContact O-N 2.91Å; P200-W203 HydrophobicContact CB-CD2 4.14Å; P200-W203 HydrophobicContact CB-CE3 4.44Å; P200-W203 HydrophobicContact CB-CH2 4.18Å; P200-W203 HydrophobicContact CB-CZ2 3.86Å; P200-W203 HydrophobicContact CB-CZ3 4.46Å; P200-W203 HydrophobicContact CG-CZ2 3.98Å; P200-W203 WeakPolarHBondContact O-CB 3.37Å; P200-W203 PolarHBondContact O-N 3.25Å; P200-Y219 HydrophobicContact CB-CD1 3.57Å; P200-Y219 HydrophobicContact CB-CE1 3.82Å; P200-Y219 HydrophobicContact CB-CG 4.15Å; P200-Y219 HydrophobicContact CG-CD1 4.45Å; P200-Y219 HydrophobicContact CG-CE1 4.41Å; P200-Y219 PolarHBondContact O-N 3.42Å
201A93.6Very high91.7Very high21 Ų2135.1 Ų35.117%0.17418%0.18CC..Hα-helixtrans-66.6-23.6177.300000112.3L141 M198 W199 Y219L141-A201 HydrophobicContact CD2-CB 3.75Å; M198-A201 WeakPolarHBondContact O-CB 3.24Å; M198-A201 PolarHBondContact O-N 3.02Å; M198-A201 VanDerWaalsContact O-N 3.16Å; W199-A201 VanDerWaalsContact C-N 3.28Å; W199-A201 PolarHBondContact O-N 3.46Å; A201-Y219 HydrophobicContact CB-CD2 4.46Å; A201-Y219 HydrophobicContact CB-CE2 3.69Å
202G91Very high91.3Very high0 Ų032.7 Ų32.70%017%0.168CC..THydrogen-bonded Turntrans-89.11.8177.600000115.2I142 W199 P200 D204 S205I142-G202 WeakPolarHBondContact CD1-O 3.46Å; I142-G202 VanDerWaalsContact CG1-O 3.25Å; I142-G202 WeakPolarHBondContact CG1-O 3.43Å; W199-G202 PolarHBondContact O-N 2.72Å; W199-G202 VanDerWaalsContact O-N 3.15Å; P200-G202 PolarHBondContact O-N 2.91Å; G202-D204 PolarHBondContact O-N 2.95Å; G202-S205 WeakPolarHBondContact O-CB 3.35Å; G202-S205 PolarHBondContact O-N 3.23Å
203W92Very high90.7Very high25 Ų2533.4 Ų33.410%0.09518%0.175CC..THydrogen-bonded Turntrans-59.9-18.5-171.2-76.4-0.2000116.3L34 W199 P200 S205 I208 V216 G217 S220 K221L34-W203 HydrophobicContact CD1-CD2 4.21Å; L34-W203 HydrophobicContact CD1-CG 4.5Å; L34-W203 HydrophobicContact CD1-CZ2 4.13Å; L34-W203 HydrophobicContact CD2-CH2 4.18Å; L34-W203 HydrophobicContact CD2-CZ2 4.04Å; L34-W203 HydrophobicContact CG-CZ2 4.31Å; W199-W203 AromaticContact CD2-NE1 3.76Å; W199-W203 AromaticContact CE3-CE2 3.89Å; W199-W203 HydrophobicContact CE3-CZ2 4.06Å; W199-W203 AromaticContact CE3-NE1 3.14Å; W199-W203 AromaticContact CH2-NE1 3.59Å; W199-W203 AromaticContact CZ3-CE2 3.63Å; W199-W203 AromaticContact CZ3-CZ2 3.66Å; W199-W203 HydrophobicContact CZ3-CZ2 3.66Å; W199-W203 AromaticContact CZ3-NE1 3.05Å; P200-W203 HydrophobicContact CB-CD2 4.14Å; P200-W203 HydrophobicContact CB-CE3 4.44Å; P200-W203 HydrophobicContact CB-CH2 4.18Å; P200-W203 HydrophobicContact CB-CZ2 3.86Å; P200-W203 HydrophobicContact CB-CZ3 4.46Å; P200-W203 HydrophobicContact CG-CZ2 3.98Å; P200-W203 WeakPolarHBondContact O-CB 3.37Å; P200-W203 PolarHBondContact O-N 3.25Å; W203-S205 PolarHBondContact O-N 3.5Å; W203-S205 VanDerWaalsContact O-N 3.14Å; W203-I208 HydrophobicContact CB-CD1 4.42Å; W203-I208 HydrophobicContact CB-CG2 4.36Å; W203-I208 HydrophobicContact CG-CD1 4.01Å; W203-I208 WeakPolarHBondContact O-CB 3.45Å; W203-I208 WeakPolarHBondContact O-CG2 3.44Å; W203-V216 VanDerWaalsContact O-CG2 3.3Å; W203-V216 WeakPolarHBondContact O-CG2 3.23Å; W203-G217 WeakPolarHBondContact CB-O 3.34Å; W203-S220 VanDerWaalsContact CE3-C 3.49Å; W203-K221 HydrophobicContact CE3-CB 4.27Å; W203-K221 HydrophobicContact CH2-CB 4.32Å; W203-K221 HydrophobicContact CZ3-CB 3.75Å
204D89.3Confident90.1Very high52 Ų5232.5 Ų32.528%0.27818%0.182SC..THydrogen-bonded Turntrans-73.98.9169.6-168.136.2000114P135 A138 G202 R209P135-D204 VanDerWaalsContact CG-O 3.27Å; P135-D204 WeakPolarHBondContact CG-O 3.23Å; A138-D204 VanDerWaalsContact CB-C 3.47Å; A138-D204 HydrophobicContact CB-CB 4.02Å; G202-D204 PolarHBondContact O-N 2.95Å; D204-R209 WeakPolarHBondContact O-CD 3.46Å; D204-R209 IonicContact OD1-NE 3.37Å; D204-R209 PolarHBondContact OD1-NE 2.93Å
205S87.9Confident89.7Confident0 Ų032.7 Ų32.70%019%0.187CC..SBendtrans-61.1156.3173.169.10000112.4N139 I142 G202 W203 T207 I208 R209N139-S205 WeakPolarHBondContact OD1-CA 3.44Å; N139-S205 WeakPolarHBondContact OD1-CB 3.23Å; I142-S205 VanDerWaalsContact CD1-CB 3.4Å; I142-S205 WeakPolarHBondContact CD1-OG 3.37Å; G202-S205 WeakPolarHBondContact O-CB 3.35Å; G202-S205 PolarHBondContact O-N 3.23Å; W203-S205 PolarHBondContact O-N 3.5Å; W203-S205 VanDerWaalsContact O-N 3.14Å; S205-T207 VanDerWaalsContact C-N 3.27Å; S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-OG1 3.5Å; S205-I208 PolarHBondContact O-N 2.66Å; S205-I208 WeakPolarHBondContact OG-CB 3.45Å; S205-I208 PolarHBondContact OG-N 3.17Å; S205-R209 WeakPolarHBondContact O-CB 3.35Å; S205-R209 WeakPolarHBondContact O-CG 3.4Å; S205-R209 PolarHBondContact O-N 3.5Å
206V86.3Confident89.5Confident28 Ų2833 Ų3317%0.1719%0.189CC..Hα-helixtrans-57.2-45171.3-176.20000110.9K134 N139 I208 R209 E210K134-V206 WeakPolarHBondContact O-CG2 3.4Å; N139-V206 PolarHBondContact OD1-N 3.44Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 3.39Å; V206-R209 PolarHBondContact O-N 3.45Å; V206-R209 VanDerWaalsContact O-N 3.15Å; V206-E210 HydrophobicContact CG1-CG 4.25Å; V206-E210 WeakPolarHBondContact CG1-OE1 3.46Å; V206-E210 WeakPolarHBondContact O-CG 3.26Å; V206-E210 PolarHBondContact O-N 3.07Å
207T84.3Confident89.2Confident4 Ų432.5 Ų32.53%0.02519%0.189CC..Hα-helixtrans-59.8-39.4-175.945.60000112.9S205S205-T207 VanDerWaalsContact C-N 3.27Å; S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-OG1 3.5Å
208I88.6Confident89.1Confident2 Ų231.9 Ų31.91%0.0119%0.191CC..Hα-helixtrans-82.2-33.9177.6-68.1-172.3000110.7L34 I90 I142 W199 W203 S205 V206 E210 V211 C212 V216L34-I208 HydrophobicContact CD1-CD1 4.12Å; L34-I208 HydrophobicContact CD1-CG2 4.1Å; I90-I208 HydrophobicContact CD1-CG1 4.07Å; I142-I208 HydrophobicContact CD1-CB 4.5Å; I142-I208 HydrophobicContact CD1-CD1 3.32Å; I142-I208 HydrophobicContact CD1-CG1 3.68Å; W199-I208 HydrophobicContact CH2-CD1 4.41Å; W199-I208 HydrophobicContact CZ2-CD1 4.03Å; W203-I208 HydrophobicContact CB-CD1 4.42Å; W203-I208 HydrophobicContact CB-CG2 4.36Å; W203-I208 HydrophobicContact CG-CD1 4.01Å; W203-I208 WeakPolarHBondContact O-CB 3.45Å; W203-I208 WeakPolarHBondContact O-CG2 3.44Å; S205-I208 PolarHBondContact O-N 2.66Å; S205-I208 WeakPolarHBondContact OG-CB 3.45Å; S205-I208 PolarHBondContact OG-N 3.17Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 3.39Å; I208-E210 VanDerWaalsContact C-N 3.29Å; I208-E210 PolarHBondContact O-N 3.44Å; I208-V211 PolarHBondContact O-N 3.16Å; I208-V211 VanDerWaalsContact O-N 3.1Å; I208-C212 HydrophobicContact CG2-CB 4.15Å; I208-C212 WeakPolarHBondContact O-CB 3.37Å; I208-C212 PolarHBondContact O-N 3.24Å; I208-V216 HydrophobicContact CG2-CB 4.48Å; I208-V216 HydrophobicContact CG2-CG1 4.14Å; I208-V216 HydrophobicContact CG2-CG2 4.46Å
209R87.1Confident89Confident105 Ų10536.4 Ų36.440%0.39621%0.207SC..Hα-helixtrans-60.4-37.3172.5-73.6173.1109.4-109.2-10.4112.6D204 S205 V206 V211 G213 G214 V216D204-R209 WeakPolarHBondContact O-CD 3.46Å; D204-R209 IonicContact OD1-NE 3.37Å; D204-R209 PolarHBondContact OD1-NE 2.93Å; S205-R209 WeakPolarHBondContact O-CB 3.35Å; S205-R209 WeakPolarHBondContact O-CG 3.4Å; S205-R209 PolarHBondContact O-N 3.5Å; V206-R209 PolarHBondContact O-N 3.45Å; V206-R209 VanDerWaalsContact O-N 3.15Å; R209-V211 VanDerWaalsContact C-N 3.28Å; R209-V211 PolarHBondContact O-N 3.48Å; R209-G213 WeakPolarHBondContact CA-O 3.36Å; R209-G213 CarbonylContact O-C 3.48Å; R209-G213 WeakPolarHBondContact O-CA 3.38Å; R209-G213 PolarHBondContact O-N 2.89Å; R209-G214 PolarHBondContact NH2-O 3.41Å; R209-V216 HydrophobicContact CB-CG2 4.17Å; R209-V216 HydrophobicContact CG-CG2 3.17Å
210E83Confident89Confident95 Ų9538.8 Ų38.844%0.44422%0.224SC..Hα-helixtrans-61.8-35174.4-76.3174-176.400112.2R36 R95 V206 I208R36-E210 PolarHBondContact NH2-O 2.77Å; R95-E210 IonicContact NH1-OE2 3.55Å; V206-E210 HydrophobicContact CG1-CG 4.25Å; V206-E210 WeakPolarHBondContact CG1-OE1 3.46Å; V206-E210 WeakPolarHBondContact O-CG 3.26Å; V206-E210 PolarHBondContact O-N 3.07Å; I208-E210 VanDerWaalsContact C-N 3.29Å; I208-E210 PolarHBondContact O-N 3.44Å
211V84.8Confident88.9Confident14 Ų1442.1 Ų42.19%0.08524%0.237CC..Hα-helixtrans-93.9-33.5-177.3-179.10000112.9R36 P88 I90 I208 R209R36-V211 PolarHBondContact NE-O 3.32Å; R36-V211 PolarHBondContact NH2-O 2.94Å; P88-V211 HydrophobicContact CB-CG1 4.33Å; I90-V211 HydrophobicContact CB-CG1 4.33Å; I90-V211 HydrophobicContact CB-CG2 4.35Å; I90-V211 HydrophobicContact CD1-CG2 4.21Å; I90-V211 HydrophobicContact CG2-CB 4.14Å; I90-V211 HydrophobicContact CG2-CG1 3.89Å; I90-V211 HydrophobicContact CG2-CG2 4.43Å; I208-V211 PolarHBondContact O-N 3.16Å; I208-V211 VanDerWaalsContact O-N 3.1Å; R209-V211 VanDerWaalsContact C-N 3.28Å; R209-V211 PolarHBondContact O-N 3.48Å
212C88.2Confident88.7Confident0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-115.82.3-170.7-62.40000113.6I208 V216 N223 C224I208-C212 HydrophobicContact CG2-CB 4.15Å; I208-C212 WeakPolarHBondContact O-CB 3.37Å; I208-C212 PolarHBondContact O-N 3.24Å; C212-V216 HydrophobicContact CB-CG1 3.37Å; C212-N223 WeakPolarHBondContact O-CB 3.32Å; C212-N223 PolarHBondContact O-N 3.32Å; C212-C224 WeakPolarHBondContact CA-SG 3.4Å; C212-C224 HydrophobicContact CB-CB 3.8Å; C212-C224 WeakPolarHBondContact CB-SG 3.42Å; C212-C224 WeakPolarHBondContact SG-CB 3.35Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3Å
213G85.9Confident88.7Confident15 Ų1545.3 Ų45.316%0.15526%0.257CS..  trans84.1179.7177.500000114R209 S215 V216R209-G213 WeakPolarHBondContact CA-O 3.36Å; R209-G213 CarbonylContact O-C 3.48Å; R209-G213 WeakPolarHBondContact O-CA 3.38Å; R209-G213 PolarHBondContact O-N 2.89Å; G213-S215 VanDerWaalsContact C-N 3.28Å; G213-S215 PolarHBondContact O-N 3.44Å; G213-V216 WeakPolarHBondContact O-CG2 3.35Å
214G84.9Confident88.7Confident51 Ų5144.1 Ų44.153%0.52625%0.252SS..THydrogen-bonded Turntrans-74.2-11.5-174.300000115.7R209 V216R209-G214 PolarHBondContact NH2-O 3.41Å; G214-V216 VanDerWaalsContact C-N 3.31Å
215S88.3Confident88.9Confident80 Ų8043.6 Ų43.656%0.55925%0.252SS*.THydrogen-bonded Turntrans-85.63-177.4-49.60000114.1G213G213-S215 VanDerWaalsContact C-N 3.28Å; G213-S215 PolarHBondContact O-N 3.44Å
216V90.1Very high89.2Confident9 Ų947.3 Ų47.36%0.05528%0.275CS..  trans-73152173.8-60.80000111.1W203 I208 R209 C212 G213 G214 S220W203-V216 VanDerWaalsContact O-CG2 3.3Å; W203-V216 WeakPolarHBondContact O-CG2 3.23Å; I208-V216 HydrophobicContact CG2-CB 4.48Å; I208-V216 HydrophobicContact CG2-CG1 4.14Å; I208-V216 HydrophobicContact CG2-CG2 4.46Å; R209-V216 HydrophobicContact CB-CG2 4.17Å; R209-V216 HydrophobicContact CG-CG2 3.17Å; C212-V216 HydrophobicContact CB-CG1 3.37Å; G213-V216 WeakPolarHBondContact O-CG2 3.35Å; G214-V216 VanDerWaalsContact C-N 3.31Å; V216-S220 WeakPolarHBondContact CA-O 3.27Å
217G91.2Very high89.6Confident12 Ų1246.7 Ų46.712%0.12427%0.274CS..BIsolated β-bridgetrans-156178.1175.500000110W203 Y219 S220W203-G217 WeakPolarHBondContact CB-O 3.34Å; G217-Y219 PolarHBondContact O-N 2.91Å; G217-S220 PolarHBondContact N-O 3.5Å; G217-S220 PolarHBondContact O-N 3.44Å
218P92.1Very high90.1Very high83 Ų8352.9 Ų52.954%0.53930%0.297SS..THydrogen-bonded Turntrans-55.6124.2175-21.433000110.2S220P218-S220 PolarHBondContact O-N 2.98Å
219Y92.9Very high90.4Very high141 Ų14152.8 Ų52.855%0.55330%0.297SS*.THydrogen-bonded Turntrans57.212.7-173.8-59-93000115.3I197 P200 A201 G217I197-Y219 PolarHBondContact O-OH 3.43Å; P200-Y219 HydrophobicContact CB-CD1 3.57Å; P200-Y219 HydrophobicContact CB-CE1 3.82Å; P200-Y219 HydrophobicContact CB-CG 4.15Å; P200-Y219 HydrophobicContact CG-CD1 4.45Å; P200-Y219 HydrophobicContact CG-CE1 4.41Å; P200-Y219 PolarHBondContact O-N 3.42Å; A201-Y219 HydrophobicContact CB-CD2 4.46Å; A201-Y219 HydrophobicContact CB-CE2 3.69Å; G217-Y219 PolarHBondContact O-N 2.91Å
220S94.2Very high90.8Very high57 Ų5748.8 Ų48.840%0.39928%0.284SS..BIsolated β-bridgetrans-116.2112.7177-179.60000110.7W203 V216 G217 P218 G222W203-S220 VanDerWaalsContact CE3-C 3.49Å; V216-S220 WeakPolarHBondContact CA-O 3.27Å; G217-S220 PolarHBondContact N-O 3.5Å; G217-S220 PolarHBondContact O-N 3.44Å; P218-S220 PolarHBondContact O-N 2.98Å; S220-G222 VanDerWaalsContact C-N 3.3Å; S220-G222 PolarHBondContact O-N 3.08Å
221K90.9Very high91.4Very high90 Ų9049.9 Ų49.939%0.39129%0.292SS..  trans-75-9.9-171.867.4-174.5-169.6178.10115.2L34 W203 N223 C224 V226L34-K221 HydrophobicContact CD2-CB 4.07Å; W203-K221 HydrophobicContact CE3-CB 4.27Å; W203-K221 HydrophobicContact CH2-CB 4.32Å; W203-K221 HydrophobicContact CZ3-CB 3.75Å; K221-N223 PolarHBondContact O-N 2.9Å; K221-C224 WeakPolarHBondContact CD-O 2.86Å; K221-C224 VanDerWaalsContact CE-O 3.29Å; K221-C224 WeakPolarHBondContact CE-O 3.24Å; K221-C224 VanDerWaalsContact CG-O 3.3Å; K221-C224 WeakPolarHBondContact CG-O 3.38Å; K221-C224 PolarHBondContact O-N 3.5Å; K221-V226 HydrophobicContact CD-CG2 4.07Å
222G90.6Very high92Very high22 Ų2250.2 Ų50.223%0.22730%0.297CS..THydrogen-bonded Turntrans55.7-130.7-177.300000112.9S220 C224S220-G222 VanDerWaalsContact C-N 3.3Å; S220-G222 PolarHBondContact O-N 3.08Å; G222-C224 PolarHBondContact O-N 3.41Å
223N90.5Very high92.4Very high67 Ų6750.2 Ų50.236%0.35830%0.297SS..THydrogen-bonded Turntrans-8627.5-178.2-59.9-13.5000113.2I37 C212 K221I37-N223 WeakPolarHBondContact CB-O 3.47Å; I37-N223 PolarHBondContact N-O 3.01Å; C212-N223 WeakPolarHBondContact O-CB 3.32Å; C212-N223 PolarHBondContact O-N 3.32Å; K221-N223 PolarHBondContact O-N 2.9Å
224C92Very high92.9Very high0 Ų053.3 Ų53.30%031%0.309CS..EExtended strand (participates in β ladder)trans-113.2149.4174.3-79.90000112L34 I35 C212 K221 G222L34-C224 HydrophobicContact CB-CB 4.17Å; L34-C224 HydrophobicContact CD2-CB 4.11Å; I35-C224 CarbonylContact O-C 3.59Å; I35-C224 VanDerWaalsContact O-CA 3.23Å; I35-C224 WeakPolarHBondContact O-CA 3.31Å; I35-C224 WeakPolarHBondContact O-CB 3.24Å; C212-C224 WeakPolarHBondContact CA-SG 3.4Å; C212-C224 HydrophobicContact CB-CB 3.8Å; C212-C224 WeakPolarHBondContact CB-SG 3.42Å; C212-C224 WeakPolarHBondContact SG-CB 3.35Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3Å; K221-C224 WeakPolarHBondContact CD-O 2.86Å; K221-C224 VanDerWaalsContact CE-O 3.29Å; K221-C224 WeakPolarHBondContact CE-O 3.24Å; K221-C224 VanDerWaalsContact CG-O 3.3Å; K221-C224 WeakPolarHBondContact CG-O 3.38Å; K221-C224 PolarHBondContact O-N 3.5Å; G222-C224 PolarHBondContact O-N 3.41Å
225S93.3Very high93.4Very high41 Ų4153.8 Ų53.829%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-94.8154.5165.662.90000109.5L34 I35L34-S225 WeakPolarHBondContact CA-O 3.48Å; I35-S225 PolarHBondContact N-O 3.27Å; I35-S225 PolarHBondContact O-N 3.02Å; I35-S225 PolarHBondContact O-OG 2.89Å
226V94.2Very high93.8Very high78 Ų7850 Ų5047%0.47328%0.277SS..EExtended strand (participates in β ladder)trans-85.5125.3174.2-177.40000106.9W33 L34 K221 P230W33-V226 WeakPolarHBondContact O-CA 3.28Å; L34-V226 HydrophobicContact CD2-CG2 4.44Å; K221-V226 HydrophobicContact CD-CG2 4.07Å; V226-P230 HydrophobicContact CG1-CB 4.33Å; V226-P230 HydrophobicContact CG1-CG 3.79Å
227G93.7Very high94.2Very high15 Ų1550.1 Ų50.116%0.15528%0.277CS..  trans-81.1-167.6177.200000112.7Y32 W33 P230Y32-G227 CarbonylContact O-C 3.56Å; Y32-G227 VanDerWaalsContact O-CA 3.23Å; Y32-G227 WeakPolarHBondContact O-CA 3.26Å; W33-G227 PolarHBondContact O-N 3Å; G227-P230 WeakPolarHBondContact O-CD 3.15Å
228W94.9Very high94.5Very high134 Ų13454 Ų5451%0.50829%0.294SS..Hα-helixtrans-78.3-24.9-178.162.7-95.9000113.1S30 Y32 L231 A232S30-W228 WeakPolarHBondContact OG-CZ2 3.3Å; Y32-W228 HydrophobicContact CD2-CZ2 4.26Å; Y32-W228 AromaticContact CD2-NE1 3.81Å; Y32-W228 AromaticContact CG-NE1 3.75Å; Y32-W228 PolarHBondContact O-N 2.91Å; W228-L231 PolarHBondContact O-N 2.9Å; W228-A232 HydrophobicContact CE3-CB 3.85Å; W228-A232 HydrophobicContact CZ3-CB 3.97Å; W228-A232 PolarHBondContact O-N 2.04Å
229A96.2Very high94.7Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-59.7-46.1-171.800000113.5S27 Y32 W33 L231 A232 S233S27-A229 PolarHBondContact OG-O 2.66Å; Y32-A229 VanDerWaalsContact O-CB 3.32Å; Y32-A229 WeakPolarHBondContact O-CB 3.26Å; Y32-A229 PolarHBondContact O-N 2.9Å; W33-A229 HydrophobicContact CD2-CB 4.43Å; W33-A229 HydrophobicContact CG-CB 3.99Å; A229-L231 VanDerWaalsContact C-N 3.29Å; A229-L231 PolarHBondContact O-N 2.89Å; A229-A232 WeakPolarHBondContact O-CB 3.03Å; A229-A232 PolarHBondContact O-N 3.34Å; A229-A232 VanDerWaalsContact O-N 3.12Å; A229-S233 PolarHBondContact O-N 3.35Å
230P95.2Very high94.9Very high21 Ų2146.1 Ų46.114%0.13626%0.257CS..Hα-helixtrans-63.5-38-178.9-17.933.1000111.3W33 V226 G227 S233 I234W33-P230 HydrophobicContact CB-CG 3.94Å; W33-P230 HydrophobicContact CD2-CB 4.28Å; W33-P230 HydrophobicContact CD2-CG 3.71Å; W33-P230 HydrophobicContact CE3-CB 3.75Å; W33-P230 HydrophobicContact CE3-CG 3.51Å; W33-P230 HydrophobicContact CG-CG 3.94Å; W33-P230 HydrophobicContact CH2-CB 4.48Å; W33-P230 HydrophobicContact CZ3-CB 3.85Å; W33-P230 HydrophobicContact CZ3-CG 4.15Å; V226-P230 HydrophobicContact CG1-CB 4.33Å; V226-P230 HydrophobicContact CG1-CG 3.79Å; G227-P230 WeakPolarHBondContact O-CD 3.15Å; P230-S233 WeakPolarHBondContact CA-OG 3.5Å; P230-S233 PolarHBondContact O-N 2.78Å; P230-S233 PolarHBondContact O-OG 3.06Å; P230-I234 WeakPolarHBondContact O-CG1 3.36Å; P230-I234 PolarHBondContact O-N 3.42Å; P230-I234 VanDerWaalsContact O-N 3.08Å
231L95.9Very high94.9Very high117 Ų11747.5 Ų47.561%0.61326%0.259SS*.Hα-helixtrans-64.4-45175.1-175.961.7000111.3W228 A229 S233 I234 C235W228-L231 PolarHBondContact O-N 2.9Å; A229-L231 VanDerWaalsContact C-N 3.29Å; A229-L231 PolarHBondContact O-N 2.89Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 3.33Å; L231-I234 PolarHBondContact O-N 2.64Å; L231-C235 PolarHBondContact O-N 2.7Å; L231-C235 PolarHBondContact O-SG 2.93Å; L231-C235 VanDerWaalsContact O-SG 3.4Å
232A96.8Very high95.2Very high21 Ų2147.2 Ų47.217%0.17426%0.261CS..Hα-helixtrans-61.1-36.8175.200000112.5I23 W228 A229 C235 G236I23-A232 HydrophobicContact CG2-CB 4.5Å; I23-A232 WeakPolarHBondContact CG2-O 2.92Å; W228-A232 HydrophobicContact CE3-CB 3.85Å; W228-A232 HydrophobicContact CZ3-CB 3.97Å; W228-A232 PolarHBondContact O-N 2.04Å; A229-A232 WeakPolarHBondContact O-CB 3.03Å; A229-A232 PolarHBondContact O-N 3.34Å; A229-A232 VanDerWaalsContact O-N 3.12Å; A232-C235 PolarHBondContact O-N 3.3Å; A232-G236 PolarHBondContact O-N 3.28Å
233S95.7Very high95.4Very high0 Ų046.2 Ų46.20%025%0.25CS..Hα-helixtrans-66.3-41.8176.464.10000112.3S27 W33 I196 A229 P230 L231 G236 I237S27-S233 WeakPolarHBondContact OG-CA 3.36Å; S27-S233 WeakPolarHBondContact OG-CB 3.43Å; S27-S233 PolarHBondContact OG-N 3.5Å; S27-S233 VanDerWaalsContact OG-N 3.15Å; W33-S233 VanDerWaalsContact CH2-OG 3.26Å; W33-S233 WeakPolarHBondContact CH2-OG 3.23Å; I196-S233 VanDerWaalsContact CD1-OG 3.23Å; I196-S233 WeakPolarHBondContact CD1-OG 3.48Å; A229-S233 PolarHBondContact O-N 3.35Å; P230-S233 WeakPolarHBondContact CA-OG 3.5Å; P230-S233 PolarHBondContact O-N 2.78Å; P230-S233 PolarHBondContact O-OG 3.06Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 3.33Å; S233-G236 PolarHBondContact O-N 2.7Å; S233-I237 WeakPolarHBondContact O-CB 2.96Å; S233-I237 WeakPolarHBondContact O-CG1 3.44Å; S233-I237 PolarHBondContact O-N 3.43Å
234I96.6Very high95.6Very high81 Ų8143.4 Ų43.442%0.41524%0.237SC..Hα-helixtrans-64.2-45.8177.4-67165.8000110P230 L231 G236 I237 I238P230-I234 WeakPolarHBondContact O-CG1 3.36Å; P230-I234 PolarHBondContact O-N 3.42Å; P230-I234 VanDerWaalsContact O-N 3.08Å; L231-I234 PolarHBondContact O-N 2.64Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 3.16Å; I234-I237 PolarHBondContact O-N 3.07Å; I234-I238 HydrophobicContact CG2-CD1 4.01Å; I234-I238 WeakPolarHBondContact O-CG1 3.37Å; I234-I238 PolarHBondContact O-N 2.73Å
235C96.8Very high95.7Very high61 Ų6148.4 Ų48.441%0.41226%0.263SS..Hα-helixtrans-59.6-42.8174.1-69.20000111.7L231 A232 I238 L239L231-C235 PolarHBondContact O-N 2.7Å; L231-C235 PolarHBondContact O-SG 2.93Å; L231-C235 VanDerWaalsContact O-SG 3.4Å; A232-C235 PolarHBondContact O-N 3.3Å; C235-I238 PolarHBondContact O-N 2.76Å; C235-L239 VanDerWaalsContact O-CG 3.3Å; C235-L239 WeakPolarHBondContact O-CG 3.25Å; C235-L239 PolarHBondContact O-N 2.99Å
236G97Very high95.6Very high0 Ų048.6 Ų48.60%026%0.26CS..Hα-helixtrans-58.9-49176.300000112.9T24 A232 S233 I234 I238 L239 L240T24-G236 VanDerWaalsContact OG1-CA 3.26Å; T24-G236 WeakPolarHBondContact OG1-CA 3.34Å; A232-G236 PolarHBondContact O-N 3.28Å; S233-G236 PolarHBondContact O-N 2.7Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 3.16Å; G236-I238 PolarHBondContact O-N 3.41Å; G236-L239 CarbonylContact O-C 3.6Å; G236-L239 PolarHBondContact O-N 3.41Å; G236-L240 WeakPolarHBondContact O-CG 3.46Å; G236-L240 PolarHBondContact O-N 3.37Å
237I97.2Very high95.5Very high11 Ų1144.9 Ų44.96%0.05624%0.238CC..Hα-helixtrans-59.3-46.4176.6-76.3173000111.7D189 L192 L193 I196 S233 I234 L239 L240 L241D189-I237 VanDerWaalsContact OD1-CA 3.3Å; D189-I237 WeakPolarHBondContact OD1-CA 3.42Å; D189-I237 VanDerWaalsContact OD1-CG2 3.22Å; D189-I237 WeakPolarHBondContact OD1-CG2 3.32Å; L192-I237 HydrophobicContact CB-CD1 4.13Å; L192-I237 HydrophobicContact CB-CG1 4.39Å; L193-I237 HydrophobicContact CB-CD1 4.47Å; L193-I237 HydrophobicContact CD1-CG2 4.43Å; I196-I237 HydrophobicContact CD1-CD1 3.25Å; I196-I237 HydrophobicContact CG1-CD1 4.21Å; S233-I237 WeakPolarHBondContact O-CB 2.96Å; S233-I237 WeakPolarHBondContact O-CG1 3.44Å; S233-I237 PolarHBondContact O-N 3.43Å; I234-I237 PolarHBondContact O-N 3.07Å; I237-L239 VanDerWaalsContact C-N 3.28Å; I237-L239 PolarHBondContact O-N 3.15Å; I237-L240 WeakPolarHBondContact O-CB 3.37Å; I237-L240 PolarHBondContact O-N 2.97Å; I237-L240 VanDerWaalsContact O-N 3.15Å; I237-L241 PolarHBondContact O-N 3.06Å
238I97.2Very high95.3Very high93 Ų9348.8 Ų48.848%0.47725%0.254SS..Hα-helixtrans-59.9-42.4177-66.8166.5000110.8I234 C235 G236 L241 I242I234-I238 HydrophobicContact CG2-CD1 4.01Å; I234-I238 WeakPolarHBondContact O-CG1 3.37Å; I234-I238 PolarHBondContact O-N 2.73Å; C235-I238 PolarHBondContact O-N 2.76Å; G236-I238 PolarHBondContact O-N 3.41Å; I238-L241 PolarHBondContact O-N 3.27Å; I238-I242 HydrophobicContact CG2-CD1 4.08Å; I238-I242 VanDerWaalsContact O-CG1 3.3Å; I238-I242 WeakPolarHBondContact O-CG1 3.21Å; I238-I242 PolarHBondContact O-N 3.01Å
239L96.4Very high95Very high59 Ų5944.8 Ų44.831%0.30925%0.25SC..Hα-helixtrans-68.8-34.8177.1-69.3165.6000112.6I23 C235 G236 I237 I242 S243I23-L239 HydrophobicContact CD1-CD1 4.23Å; C235-L239 VanDerWaalsContact O-CG 3.3Å; C235-L239 WeakPolarHBondContact O-CG 3.25Å; C235-L239 PolarHBondContact O-N 2.99Å; G236-L239 CarbonylContact O-C 3.6Å; G236-L239 PolarHBondContact O-N 3.41Å; I237-L239 VanDerWaalsContact C-N 3.28Å; I237-L239 PolarHBondContact O-N 3.15Å; L239-I242 PolarHBondContact O-N 2.89Å; L239-S243 WeakPolarHBondContact O-CB 3.33Å; L239-S243 PolarHBondContact O-N 3.16Å; L239-S243 PolarHBondContact O-OG 3.39Å
240L97.2Very high94.6Very high0 Ų044.9 Ų44.90%025%0.25CC..Hα-helixtrans-64.1-44.1173.6-76.3171.2000110.9I21 T24 L156 L185 D189 L192 G236 I237 I242 S243 A244I21-L240 HydrophobicContact CG1-CD2 4.01Å; T24-L240 HydrophobicContact CG2-CD1 3.91Å; T24-L240 WeakPolarHBondContact OG1-CD1 3.37Å; L156-L240 HydrophobicContact CD1-CD1 4.01Å; L156-L240 HydrophobicContact CD2-CD1 3.97Å; L156-L240 HydrophobicContact CD2-CD2 3.85Å; L185-L240 HydrophobicContact CD2-CD2 3.88Å; D189-L240 HydrophobicContact CB-CB 4.4Å; L192-L240 HydrophobicContact CD1-CD1 4.49Å; G236-L240 WeakPolarHBondContact O-CG 3.46Å; G236-L240 PolarHBondContact O-N 3.37Å; I237-L240 WeakPolarHBondContact O-CB 3.37Å; I237-L240 PolarHBondContact O-N 2.97Å; I237-L240 VanDerWaalsContact O-N 3.15Å; L240-I242 PolarHBondContact O-N 3.15Å; L240-S243 CarbonylContact O-C 3.07Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 2.86Å; L240-S243 VanDerWaalsContact O-N 3.15Å; L240-A244 PolarHBondContact O-N 2.74Å
241L95.8Very high94.1Very high87 Ų8745.3 Ų45.346%0.45525%0.251SS..Hα-helixtrans-60-46.4175-177.864.7000111.6I237 I238 S243 A244 I245I237-L241 PolarHBondContact O-N 3.06Å; I238-L241 PolarHBondContact O-N 3.27Å; L241-S243 VanDerWaalsContact C-N 3.29Å; L241-S243 PolarHBondContact O-N 3.01Å; L241-A244 PolarHBondContact O-N 2.9Å; L241-I245 HydrophobicContact CG-CD1 4.31Å; L241-I245 WeakPolarHBondContact O-CG1 2.97Å; L241-I245 PolarHBondContact O-N 2.77Å
242I95.7Very high93.6Very high84 Ų8446.3 Ų46.343%0.43125%0.25SS..Hα-helixtrans-59.3-43.3174.5-68165.4000110.3I238 L239 L240 A244 I245 L246I238-I242 HydrophobicContact CG2-CD1 4.08Å; I238-I242 VanDerWaalsContact O-CG1 3.3Å; I238-I242 WeakPolarHBondContact O-CG1 3.21Å; I238-I242 PolarHBondContact O-N 3.01Å; L239-I242 PolarHBondContact O-N 2.89Å; L240-I242 PolarHBondContact O-N 3.15Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 PolarHBondContact O-N 3.29Å; I242-I245 PolarHBondContact O-N 3.32Å; I242-L246 VanDerWaalsContact O-CB 3.28Å; I242-L246 WeakPolarHBondContact O-CB 3.36Å; I242-L246 PolarHBondContact O-N 2.02Å
243S95.2Very high92.9Very high0 Ų046.9 Ų46.90%025%0.254CS..Hα-helixtrans-64.2-37.9178.2-59.80000112.1W13 L239 L240 L241 L246 S247W13-S243 PolarHBondContact NE1-O 3.42Å; L239-S243 WeakPolarHBondContact O-CB 3.33Å; L239-S243 PolarHBondContact O-N 3.16Å; L239-S243 PolarHBondContact O-OG 3.39Å; L240-S243 CarbonylContact O-C 3.07Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 2.86Å; L240-S243 VanDerWaalsContact O-N 3.15Å; L241-S243 VanDerWaalsContact C-N 3.29Å; L241-S243 PolarHBondContact O-N 3.01Å; S243-L246 PolarHBondContact O-N 3.1Å; S243-S247 WeakPolarHBondContact O-CB 3.44Å; S243-S247 PolarHBondContact O-N 3.4Å
244A94.9Very high92Very high9 Ų947.4 Ų47.47%0.07426%0.256CS..Hα-helixtrans-65.6-44.9175.700000111.6L185 L240 L241 I242 S247 I248L185-A244 HydrophobicContact CB-CB 4.42Å; L240-A244 PolarHBondContact O-N 2.74Å; L241-A244 PolarHBondContact O-N 2.9Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 PolarHBondContact O-N 3.29Å; A244-S247 VanDerWaalsContact O-CB 3.23Å; A244-S247 WeakPolarHBondContact O-CB 3.3Å; A244-S247 PolarHBondContact O-N 3.25Å; A244-I248 PolarHBondContact O-N 2.99Å
245I93.7Very high91Very high105 Ų10547.5 Ų47.554%0.53826%0.261SS..Hα-helixtrans-62.7-44.5175.6-65.4167.2000110.7L241 I242 S247 I248 A249L241-I245 HydrophobicContact CG-CD1 4.31Å; L241-I245 WeakPolarHBondContact O-CG1 2.97Å; L241-I245 PolarHBondContact O-N 2.77Å; I242-I245 PolarHBondContact O-N 3.32Å; I245-S247 VanDerWaalsContact C-N 3.25Å; I245-S247 PolarHBondContact O-N 3.23Å; I245-I248 WeakPolarHBondContact O-CB 3.33Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-I248 VanDerWaalsContact O-N 3.15Å; I245-A249 PolarHBondContact O-N 2.74Å
246L92.1Very high90.1Very high44 Ų4447.8 Ų47.823%0.2326%0.261CS..Hα-helixtrans-64.5-31.9178.7-176.161.9000111.5W13 I242 S243 I248 A249 V250W13-L246 HydrophobicContact CB-CD2 3.73Å; W13-L246 HydrophobicContact CB-CG 4.01Å; W13-L246 HydrophobicContact CG-CD2 4.16Å; W13-L246 HydrophobicContact CG-CG 4.13Å; I242-L246 VanDerWaalsContact O-CB 3.28Å; I242-L246 WeakPolarHBondContact O-CB 3.36Å; I242-L246 PolarHBondContact O-N 2.02Å; S243-L246 PolarHBondContact O-N 3.1Å; L246-I248 VanDerWaalsContact C-N 3.3Å; L246-I248 PolarHBondContact O-N 3.43Å; L246-A249 HydrophobicContact CD1-CB 4.42Å; L246-A249 WeakPolarHBondContact O-CB 3.03Å; L246-A249 PolarHBondContact O-N 3.37Å; L246-A249 VanDerWaalsContact O-N 3.13Å; L246-V250 HydrophobicContact CG-CG2 4.48Å; L246-V250 WeakPolarHBondContact O-CG2 3.41Å; L246-V250 PolarHBondContact O-N 3.2Å
247S92Very high88.6Confident1 Ų156 Ų561%0.00730%0.299CS..Hα-helixtrans-58.3-42173.1-150.90000112W13 F178 G182 S243 A244 I245 V250 D251W13-S247 WeakPolarHBondContact CZ2-OG 3.46Å; F178-S247 PolarHBondContact O-OG 3.26Å; G182-S247 WeakPolarHBondContact CA-OG 3.46Å; G182-S247 PolarHBondContact N-OG 2.91Å; S243-S247 WeakPolarHBondContact O-CB 3.44Å; S243-S247 PolarHBondContact O-N 3.4Å; A244-S247 VanDerWaalsContact O-CB 3.23Å; A244-S247 WeakPolarHBondContact O-CB 3.3Å; A244-S247 PolarHBondContact O-N 3.25Å; I245-S247 VanDerWaalsContact C-N 3.25Å; I245-S247 PolarHBondContact O-N 3.23Å; S247-V250 PolarHBondContact O-N 3.21Å; S247-D251 WeakPolarHBondContact O-CB 3.46Å; S247-D251 PolarHBondContact O-N 2.94Å
248I89.6Confident87.3Confident96 Ų9660.5 Ų60.549%0.49233%0.327SS..Hα-helixtrans-66.1-40176.4-59.6168.4000110.6A244 I245 L246 D251 K252A244-I248 PolarHBondContact O-N 2.99Å; I245-I248 WeakPolarHBondContact O-CB 3.33Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-I248 VanDerWaalsContact O-N 3.15Å; L246-I248 VanDerWaalsContact C-N 3.3Å; L246-I248 PolarHBondContact O-N 3.43Å; I248-D251 PolarHBondContact O-N 3.19Å; I248-K252 HydrophobicContact CG2-CD 4.33Å; I248-K252 WeakPolarHBondContact O-CG 3.29Å; I248-K252 PolarHBondContact O-N 2.71Å
249A88.4Confident85.7Confident51 Ų5156.8 Ų56.842%0.42131%0.31SS..Hα-helixtrans-65.9-42.2177.300000111.9I245 L246 K252 S253I245-A249 PolarHBondContact O-N 2.74Å; L246-A249 HydrophobicContact CD1-CB 4.42Å; L246-A249 WeakPolarHBondContact O-CB 3.03Å; L246-A249 PolarHBondContact O-N 3.37Å; L246-A249 VanDerWaalsContact O-N 3.13Å; A249-K252 PolarHBondContact O-N 3.41Å; A249-S253 WeakPolarHBondContact O-CB 3.12Å; A249-S253 PolarHBondContact O-N 2.8Å
250V87.1Confident84.4Confident1 Ų156.4 Ų56.41%0.00631%0.311CS..Hα-helixtrans-61-48.8174.8171.20000110.2I9 L10 W13 F178 L246 S247 K252 S253 I254I9-V250 HydrophobicContact CG2-CG2 3.92Å; L10-V250 HydrophobicContact CD1-CG1 4.23Å; W13-V250 HydrophobicContact CB-CG2 4.05Å; W13-V250 HydrophobicContact CG-CG2 4.19Å; F178-V250 HydrophobicContact CD1-CG1 3.73Å; F178-V250 HydrophobicContact CE1-CG1 3.93Å; F178-V250 HydrophobicContact CG-CG1 4.08Å; F178-V250 HydrophobicContact CZ-CG1 4.46Å; L246-V250 HydrophobicContact CG-CG2 4.48Å; L246-V250 WeakPolarHBondContact O-CG2 3.41Å; L246-V250 PolarHBondContact O-N 3.2Å; S247-V250 PolarHBondContact O-N 3.21Å; V250-K252 PolarHBondContact O-N 2.77Å; V250-S253 PolarHBondContact O-N 2.69Å; V250-S253 VanDerWaalsContact O-N 3.07Å; V250-S253 PolarHBondContact O-OG 2.75Å; V250-I254 HydrophobicContact CG1-CD1 3.65Å; V250-I254 HydrophobicContact CG1-CG1 4.45Å; V250-I254 WeakPolarHBondContact O-CG1 3.29Å; V250-I254 PolarHBondContact O-N 3.4Å; V250-I254 VanDerWaalsContact O-N 3.07Å
251D85Confident82.8Confident30 Ų3065.4 Ų65.416%0.1634%0.344CS..Hα-helixtrans-58.2-45.9179.2-170.459.7000112.3S176 F178 S247 I248 S253 I254 T255S176-D251 WeakPolarHBondContact CB-OD1 3.45Å; S176-D251 PolarHBondContact OG-OD1 2.79Å; F178-D251 HydrophobicContact CB-CB 4.2Å; S247-D251 WeakPolarHBondContact O-CB 3.46Å; S247-D251 PolarHBondContact O-N 2.94Å; I248-D251 PolarHBondContact O-N 3.19Å; D251-S253 VanDerWaalsContact C-N 3.31Å; D251-S253 PolarHBondContact O-N 2.86Å; D251-I254 PolarHBondContact O-N 2.77Å; D251-T255 WeakPolarHBondContact O-CB 3.46Å; D251-T255 WeakPolarHBondContact O-CG2 2.76Å; D251-T255 PolarHBondContact O-N 2.95Å; D251-T255 PolarHBondContact O-OG1 3.23Å
252K84.9Confident81.3Confident138 Ų13864.7 Ų64.760%0.634%0.339SS*.Hα-helixtrans-61.3-36.8174.6-74.5178-179.61790113.1I248 A249 V250 T255 T256I248-K252 HydrophobicContact CG2-CD 4.33Å; I248-K252 WeakPolarHBondContact O-CG 3.29Å; I248-K252 PolarHBondContact O-N 2.71Å; A249-K252 PolarHBondContact O-N 3.41Å; V250-K252 PolarHBondContact O-N 2.77Å; K252-T255 WeakPolarHBondContact CA-OG1 3.17Å; K252-T255 PolarHBondContact O-OG1 2.95Å; K252-T256 WeakPolarHBondContact O-CG2 3.34Å
253S82.5Confident79.7Confident34 Ų3462.7 Ų62.724%0.23833%0.329CS..Hα-helixtrans-70.4-34.7-179.871.50000112.8L6 A249 V250 D251 T256L6-S253 WeakPolarHBondContact CD1-OG 2.96Å; A249-S253 WeakPolarHBondContact O-CB 3.12Å; A249-S253 PolarHBondContact O-N 2.8Å; V250-S253 PolarHBondContact O-N 2.69Å; V250-S253 VanDerWaalsContact O-N 3.07Å; V250-S253 PolarHBondContact O-OG 2.75Å; D251-S253 VanDerWaalsContact C-N 3.31Å; D251-S253 PolarHBondContact O-N 2.86Å; S253-T256 PolarHBondContact O-OG1 2.92Å
254I76.2Confident78.2Confident11 Ų1169.1 Ų69.16%0.05636%0.362CS..Hα-helixtrans-78.7-35.6-179.6-63.4168.5000111.5L6 L10 F178 V250 D251 T256 A259L6-I254 HydrophobicContact CD1-CG1 4.01Å; L6-I254 HydrophobicContact CD2-CG1 4.25Å; L10-I254 HydrophobicContact CD1-CD1 4.06Å; F178-I254 HydrophobicContact CD2-CD1 3.8Å; F178-I254 HydrophobicContact CE2-CD1 3.48Å; F178-I254 VanDerWaalsContact CE2-CD1 3.48Å; F178-I254 HydrophobicContact CZ-CD1 3.97Å; V250-I254 HydrophobicContact CG1-CD1 3.65Å; V250-I254 HydrophobicContact CG1-CG1 4.45Å; V250-I254 WeakPolarHBondContact O-CG1 3.29Å; V250-I254 PolarHBondContact O-N 3.4Å; V250-I254 VanDerWaalsContact O-N 3.07Å; D251-I254 PolarHBondContact O-N 2.77Å; I254-T256 PolarHBondContact O-N 3.11Å; I254-A259 WeakPolarHBondContact O-CB 3.34Å
255T75.5Confident76.6Confident83 Ų8374.8 Ų74.851%0.50939%0.39SS..SBendtrans-76.8-3.3-17850.60000114.1D251 K252 Q257D251-T255 WeakPolarHBondContact O-CB 3.46Å; D251-T255 WeakPolarHBondContact O-CG2 2.76Å; D251-T255 PolarHBondContact O-N 2.95Å; D251-T255 PolarHBondContact O-OG1 3.23Å; K252-T255 WeakPolarHBondContact CA-OG1 3.17Å; K252-T255 PolarHBondContact O-OG1 2.95Å; T255-Q257 PolarHBondContact O-N 3.46Å
256T77.8Confident75.2Confident67 Ų6772.9 Ų72.941%0.41138%0.381SS..SBendtrans-60.3137174.960.90000111.4K252 S253 I254 T258 A259 T260K252-T256 WeakPolarHBondContact O-CG2 3.34Å; S253-T256 PolarHBondContact O-OG1 2.92Å; I254-T256 PolarHBondContact O-N 3.11Å; T256-T258 PolarHBondContact O-N 3.17Å; T256-T258 VanDerWaalsContact O-N 3.07Å; T256-A259 WeakPolarHBondContact O-CA 3.18Å; T256-A259 WeakPolarHBondContact O-CB 3.13Å; T256-A259 PolarHBondContact O-N 3.4Å; T256-A259 WeakPolarHBondContact OG1-CB 3.27Å; T256-T260 PolarHBondContact O-N 2.86Å; T256-T260 PolarHBondContact O-OG1 3.15Å
257Q66.4Low73.6Confident173 Ų17379.4 Ų79.481%0.80841%0.411SS*.Hα-helixtrans-52.9-37.7-175-71.5-167.8-37.100113.4T255 R261T255-Q257 PolarHBondContact O-N 3.46Å; Q257-R261 VanDerWaalsContact O-CB 3.22Å; Q257-R261 WeakPolarHBondContact O-CB 3.46Å; Q257-R261 PolarHBondContact O-N 3.31Å
258T69.3Low71.9Confident104 Ų10482.9 Ų82.964%0.63843%0.426SS*.Hα-helixtrans-65-40.8177.7-40.40000112T256 Q262T256-T258 PolarHBondContact O-N 3.17Å; T256-T258 VanDerWaalsContact O-N 3.07Å; T258-Q262 WeakPolarHBondContact O-CB 3.19Å; T258-Q262 WeakPolarHBondContact O-CG 3.37Å; T258-Q262 PolarHBondContact O-N 2.96Å
259A65.2Low70.3Confident16 Ų1682.9 Ų82.913%0.13243%0.434CS..Hα-helixtrans-69.1-49.2177.100000110.8I254 T256 R261 Q262 I263I254-A259 WeakPolarHBondContact O-CB 3.34Å; T256-A259 WeakPolarHBondContact O-CA 3.18Å; T256-A259 WeakPolarHBondContact O-CB 3.13Å; T256-A259 PolarHBondContact O-N 3.4Å; T256-A259 WeakPolarHBondContact OG1-CB 3.27Å; A259-R261 PolarHBondContact O-N 3.41Å; A259-Q262 PolarHBondContact O-N 3.39Å; A259-Q262 VanDerWaalsContact O-N 3.16Å; A259-I263 WeakPolarHBondContact O-CD1 3.47Å; A259-I263 VanDerWaalsContact O-CG1 3.26Å; A259-I263 WeakPolarHBondContact O-CG1 3.21Å; A259-I263 PolarHBondContact O-N 3.03Å
260T67.5Low68.8Low51 Ų5182.4 Ų82.431%0.31343%0.427SS..Hα-helixtrans-58-45.9178.5-50.60000111.8T256 Q262 I263 L264T256-T260 PolarHBondContact O-N 2.86Å; T256-T260 PolarHBondContact O-OG1 3.15Å; T260-Q262 VanDerWaalsContact C-N 3.32Å; T260-Q262 PolarHBondContact O-N 3.14Å; T260-I263 PolarHBondContact O-N 3.34Å; T260-I263 VanDerWaalsContact O-N 3.16Å; T260-L264 HydrophobicContact CG2-CD1 4.29Å; T260-L264 WeakPolarHBondContact O-CG 3.3Å; T260-L264 PolarHBondContact O-N 3.18Å
261R63.7Low67.3Low188 Ų18884.6 Ų84.671%0.70944%0.441SS*.Hα-helixtrans-62-39.5178.3-174.5176.5161.6168.3-3.6112.1Q257 A259 I263 L265Q257-R261 VanDerWaalsContact O-CB 3.22Å; Q257-R261 WeakPolarHBondContact O-CB 3.46Å; Q257-R261 PolarHBondContact O-N 3.31Å; A259-R261 PolarHBondContact O-N 3.41Å; R261-I263 VanDerWaalsContact C-N 3.31Å; R261-I263 PolarHBondContact O-N 2.88Å; R261-L265 HydrophobicContact CG-CD1 4.45Å; R261-L265 VanDerWaalsContact O-CG 3.28Å; R261-L265 WeakPolarHBondContact O-CG 3.45Å; R261-L265 PolarHBondContact O-N 3.01Å
262Q64.2Low65.9Low72 Ų7286.8 Ų86.834%0.33645%0.449SS..Hα-helixtrans-68.5-29.4176.8-84.9-161.42.300113.7R3 T258 A259 T260R3-Q262 PolarHBondContact NH2-O 2.89Å; T258-Q262 WeakPolarHBondContact O-CB 3.19Å; T258-Q262 WeakPolarHBondContact O-CG 3.37Å; T258-Q262 PolarHBondContact O-N 2.96Å; A259-Q262 PolarHBondContact O-N 3.39Å; A259-Q262 VanDerWaalsContact O-N 3.16Å; T260-Q262 VanDerWaalsContact C-N 3.32Å; T260-Q262 PolarHBondContact O-N 3.14Å
263I63Low64Low43 Ų4385.4 Ų85.422%0.22145%0.448CS..Hα-helixtrans-77.9-44179.4-67.1153.4000110.2A259 T260 R261 L265 N266 E267A259-I263 WeakPolarHBondContact O-CD1 3.47Å; A259-I263 VanDerWaalsContact O-CG1 3.26Å; A259-I263 WeakPolarHBondContact O-CG1 3.21Å; A259-I263 PolarHBondContact O-N 3.03Å; T260-I263 PolarHBondContact O-N 3.34Å; T260-I263 VanDerWaalsContact O-N 3.16Å; R261-I263 VanDerWaalsContact C-N 3.31Å; R261-I263 PolarHBondContact O-N 2.88Å; I263-L265 VanDerWaalsContact C-N 3.29Å; I263-L265 PolarHBondContact O-N 3.33Å; I263-N266 PolarHBondContact O-N 3.49Å; I263-E267 PolarHBondContact O-N 2.82Å
264L63.5Low62.1Low134 Ų13493.9 Ų93.970%0.70248%0.483SS*.Hα-helixtrans-58.7-40.4175.2-71.1173.2000112T260 N266T260-L264 HydrophobicContact CG2-CD1 4.29Å; T260-L264 WeakPolarHBondContact O-CG 3.3Å; T260-L264 PolarHBondContact O-N 3.18Å; L264-N266 PolarHBondContact O-N 3.04Å
265L62Low61.4Low128 Ų12898 Ų9867%0.6750%0.504SS*.THydrogen-bonded Turntrans-65.7-21.1176.9-73.6172.2000113.9R261 I263R261-L265 HydrophobicContact CG-CD1 4.45Å; R261-L265 VanDerWaalsContact O-CG 3.28Å; R261-L265 WeakPolarHBondContact O-CG 3.45Å; R261-L265 PolarHBondContact O-N 3.01Å; I263-L265 VanDerWaalsContact C-N 3.29Å; I263-L265 PolarHBondContact O-N 3.33Å
266N63Low60.6Low65 Ų6598.8 Ų98.835%0.34850%0.504SS..THydrogen-bonded Turntrans-100.6-5.4-175.3-89.129.5000113.8R3 I263 L264 K268R3-N266 PolarHBondContact NH1-ND2 3.47Å; R3-N266 PolarHBondContact NH2-ND2 3.06Å; I263-N266 PolarHBondContact O-N 3.49Å; L264-N266 PolarHBondContact O-N 3.04Å; N266-K268 WeakPolarHBondContact O-CG 3.41Å; N266-K268 PolarHBondContact O-N 3.26Å
267E59.5Low59.7Low181 Ų181100.6 Ų100.685%0.84651%0.509SS*.THydrogen-bonded Turntrans50.211.2-175-69.8-174.1165.400115.6I263 S269I263-E267 PolarHBondContact O-N 2.82Å; E267-S269 PolarHBondContact O-N 3.13Å
268K54.7Low59.3Low74 Ų7496.3 Ų96.332%0.32249%0.492SS..  trans-87.9101.8-177.6-72.6178.7-176.4-172.50109.5N266 C270 L273 H274N266-K268 WeakPolarHBondContact O-CG 3.41Å; N266-K268 PolarHBondContact O-N 3.26Å; K268-C270 PolarHBondContact O-N 2.83Å; K268-L273 HydrophobicContact CD-CB 3.84Å; K268-L273 WeakPolarHBondContact CD-O 3.32Å; K268-L273 HydrophobicContact CG-CB 4.43Å; K268-L273 PolarHBondContact NZ-O 3.09Å; K268-L273 VanDerWaalsContact NZ-O 3.1Å; K268-H274 PolarHBondContact NZ-O 3.05Å; K268-H274 PolarHBondContact NZ-OXT 2.8Å
269S56.5Low58.7Low96 Ų9695.8 Ų95.867%0.67148%0.482SS*.  trans-66.3-16.8174-47.40000113.5E267E267-S269 PolarHBondContact O-N 3.13Å
270C56.5Low58.2Low41 Ų41101.1 Ų101.128%0.27751%0.506SS..SBendtrans-100.7131.4179.9-50.10000111K268 F272 L273K268-C270 PolarHBondContact O-N 2.83Å; C270-F272 PolarHBondContact O-N 3.37Å; C270-L273 HydrophobicContact CB-CD1 4.05Å
271V57.4Low57.6Low47 Ų47104.7 Ų104.729%0.28552%0.519SS..THydrogen-bonded Turntrans-63.2-28.1-177177.30000112.9L10 R170L10-V271 HydrophobicContact CD1-CG1 3.85Å; R170-V271 HydrophobicContact CB-CG2 4.5Å; R170-V271 HydrophobicContact CG-CG2 3.91Å
272F54.6Low57.1Low76 Ų7698.3 Ų98.333%0.33351%0.505SS..THydrogen-bonded Turntrans-101.22.6-171.3-76.1-74.6000116.5S7 L10 I14 L167 C270 H274S7-F272 WeakPolarHBondContact OG-CE1 3.45Å; L10-F272 HydrophobicContact CD2-CD2 4.49Å; L10-F272 HydrophobicContact CD2-CE1 4.43Å; L10-F272 HydrophobicContact CD2-CE2 3.31Å; L10-F272 HydrophobicContact CD2-CZ 3.29Å; I14-F272 HydrophobicContact CD1-CE2 4.32Å; L167-F272 HydrophobicContact CD2-CD2 4.28Å; L167-F272 HydrophobicContact CD2-CE2 3.97Å; C270-F272 PolarHBondContact O-N 3.37Å; F272-H274 PolarHBondContact O-N 3.39Å
273L44.9Very low56.5Low110 Ų110100.5 Ų100.558%0.57652%0.519SS*.  trans-80.695.7174.6-91.2152.7000109.5K268 C270K268-L273 HydrophobicContact CD-CB 3.84Å; K268-L273 WeakPolarHBondContact CD-O 3.32Å; K268-L273 HydrophobicContact CG-CB 4.43Å; K268-L273 PolarHBondContact NZ-O 3.09Å; K268-L273 VanDerWaalsContact NZ-O 3.1Å; C270-L273 HydrophobicContact CB-CD1 4.05Å
274H42.5Very low55.9Low211 Ų211105.7 Ų105.798%0.97755%0.546SS*.  trans-54.70166.2-161.6-63.6000110.5K268 F272K268-H274 PolarHBondContact NZ-O 3.05Å; K268-H274 PolarHBondContact NZ-OXT 2.8Å; F272-H274 PolarHBondContact O-N 3.39Å

Retrieved 274 of 274 residues in 308 ms (Link to these results)

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