A0A077Z150_TRITR Loading...

DUF1679 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z150, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M50.1Low70.4Confident120 Ų12079.2 Ų79.259%0.59144%0.439SS*.  0142.80-78.6174.6-166.700109.5E37 I47 V49M1-E37 HydrophobicContact CE-CG 4.47Å; M1-E37 PolarHBondContact N-OE2 3.42Å; M1-I47 HydrophobicContact CE-CG2 3.86Å; M1-I47 HydrophobicContact SD-CG2 4.39Å; M1-V49 HydrophobicContact CE-CG1 4.45Å; M1-V49 HydrophobicContact SD-CG1 3.75Å
2D50.8Low71.8Confident123 Ų12373.3 Ų73.366%0.65841%0.406SS*.  trans-73.7150.2178.7-158.9-8.7000109.3S4 L5D2-S4 PolarHBondContact O-N 2.66Å; D2-S4 PolarHBondContact O-OG 3.35Å; D2-L5 PolarHBondContact O-N 3.46Å
3N57.9Low73.4Confident95 Ų9573.6 Ų73.651%0.50840%0.4SS..THydrogen-bonded Turntrans-57.2-2.5171.5-86.4-20.9000112.2L5 L6 N7N3-L5 PolarHBondContact O-N 3.38Å; N3-L6 PolarHBondContact O-N 2.72Å; N3-N7 PolarHBondContact O-N 3.47Å; N3-N7 VanDerWaalsContact O-N 3.16Å; N3-N7 PolarHBondContact O-ND2 3.16Å
4S65.6Low74.7Confident64 Ų6478.1 Ų78.145%0.44842%0.418SS..Hα-helixtrans-49.1-33.5167.172.60000114.2D2 N7 T8D2-S4 PolarHBondContact O-N 2.66Å; D2-S4 PolarHBondContact O-OG 3.35Å; S4-N7 PolarHBondContact O-N 3.22Å; S4-T8 PolarHBondContact O-N 3.25Å; S4-T8 PolarHBondContact O-OG1 3.38Å
5L74.1Confident75.9Confident31 Ų3177.3 Ų77.316%0.16241%0.409CS..Hα-helixtrans-68.1-44.5178.7-173.869.3000111.1D2 N3 N7 T8 Y9 L35 V49 L71 V73D2-L5 PolarHBondContact O-N 3.46Å; N3-L5 PolarHBondContact O-N 3.38Å; L5-N7 PolarHBondContact O-N 3.37Å; L5-T8 VanDerWaalsContact O-CB 3.28Å; L5-T8 WeakPolarHBondContact O-CB 3.44Å; L5-T8 PolarHBondContact O-N 2.78Å; L5-T8 VanDerWaalsContact O-N 3.12Å; L5-T8 PolarHBondContact O-OG1 2.73Å; L5-Y9 HydrophobicContact CD1-CE2 4.2Å; L5-Y9 HydrophobicContact CG-CE2 4.44Å; L5-Y9 VanDerWaalsContact O-CD2 3.26Å; L5-Y9 WeakPolarHBondContact O-CD2 3.47Å; L5-L35 HydrophobicContact CB-CD1 3.9Å; L5-L35 HydrophobicContact CD2-CD1 4.15Å; L5-L35 HydrophobicContact CG-CD1 4.45Å; L5-V49 HydrophobicContact CD2-CG1 4.47Å; L5-V49 HydrophobicContact CD2-CG2 4.24Å; L5-L71 HydrophobicContact CD2-CD2 4.45Å; L5-V73 HydrophobicContact CD1-CG2 4.19Å; L5-V73 HydrophobicContact CD2-CG2 4.38Å
6L70.2Confident77.1Confident24 Ų2472.5 Ų72.513%0.12638%0.383CS..Hα-helixtrans-63.5-32.3174.8-70.6177.7000112N3 T8 Y9 L12 L35N3-L6 PolarHBondContact O-N 2.72Å; L6-T8 PolarHBondContact O-N 3.19Å; L6-Y9 CarbonylContact O-C 3.26Å; L6-Y9 VanDerWaalsContact O-C 3.26Å; L6-Y9 WeakPolarHBondContact O-CA 3.4Å; L6-Y9 PolarHBondContact O-N 3.03Å; L6-L12 HydrophobicContact CD2-CD2 3.78Å; L6-L35 HydrophobicContact CD1-CD1 4.31Å; L6-L35 HydrophobicContact CD1-CD2 4.41Å; L6-L35 HydrophobicContact CD1-CG 3.77Å; L6-L35 HydrophobicContact CD2-CD1 4.18Å; L6-L35 HydrophobicContact CD2-CD2 3.77Å; L6-L35 HydrophobicContact CD2-CG 3.91Å; L6-L35 HydrophobicContact CG-CD1 3.67Å; L6-L35 HydrophobicContact CG-CD2 4.05Å; L6-L35 HydrophobicContact CG-CG 3.58Å
7N75.4Confident78.2Confident126 Ų12671.2 Ų71.267%0.67438%0.375SS*.Hα-helixtrans-63.7-20.3176.4-65.7-24.8000113.3N3 S4 L5 Y9N3-N7 PolarHBondContact O-N 3.47Å; N3-N7 VanDerWaalsContact O-N 3.16Å; N3-N7 PolarHBondContact O-ND2 3.16Å; S4-N7 PolarHBondContact O-N 3.22Å; L5-N7 PolarHBondContact O-N 3.37Å; N7-Y9 VanDerWaalsContact C-N 3.26Å
8T79.6Confident79.2Confident51 Ų5171.3 Ų71.331%0.31338%0.382SS..THydrogen-bonded Turntrans-73.4-20.2171.8-49.50000112.1S4 L5 L6 P10 H128S4-T8 PolarHBondContact O-N 3.25Å; S4-T8 PolarHBondContact O-OG1 3.38Å; L5-T8 VanDerWaalsContact O-CB 3.28Å; L5-T8 WeakPolarHBondContact O-CB 3.44Å; L5-T8 PolarHBondContact O-N 2.78Å; L5-T8 VanDerWaalsContact O-N 3.12Å; L5-T8 PolarHBondContact O-OG1 2.73Å; L6-T8 PolarHBondContact O-N 3.19Å; T8-P10 WeakPolarHBondContact O-CD 3.39Å; T8-H128 HydrophobicContact CG2-CB 4.21Å; T8-H128 PolarHBondContact O-CD2 2.87Å; T8-H128 VanDerWaalsContact O-CD2 3.27Å
9Y82.6Confident80Confident27 Ų2767.9 Ų67.911%0.10637%0.365CS..  trans-125.767.4-176.4-52.7-84.1000110.6L5 L6 N7 D11 L12 V73 H128 G129 I130L5-Y9 HydrophobicContact CD1-CE2 4.2Å; L5-Y9 HydrophobicContact CG-CE2 4.44Å; L5-Y9 VanDerWaalsContact O-CD2 3.26Å; L5-Y9 WeakPolarHBondContact O-CD2 3.47Å; L6-Y9 CarbonylContact O-C 3.26Å; L6-Y9 VanDerWaalsContact O-C 3.26Å; L6-Y9 WeakPolarHBondContact O-CA 3.4Å; L6-Y9 PolarHBondContact O-N 3.03Å; N7-Y9 VanDerWaalsContact C-N 3.26Å; Y9-D11 PolarHBondContact O-N 2.86Å; Y9-D11 VanDerWaalsContact O-N 3.17Å; Y9-L12 WeakPolarHBondContact O-CB 2.75Å; Y9-L12 PolarHBondContact O-N 3.18Å; Y9-L12 VanDerWaalsContact O-N 3.07Å; Y9-V73 HydrophobicContact CE2-CG1 3.82Å; Y9-V73 WeakPolarHBondContact OH-CB 3.4Å; Y9-V73 WeakPolarHBondContact OH-CG1 3.43Å; Y9-H128 HydrophobicContact CD1-CB 4.03Å; Y9-H128 HydrophobicContact CE1-CB 3.39Å; Y9-G129 PolarHBondContact OH-O 2.96Å; Y9-I130 HydrophobicContact CD1-CB 4.15Å; Y9-I130 HydrophobicContact CD1-CD1 3.8Å; Y9-I130 HydrophobicContact CD1-CG2 4.46Å; Y9-I130 HydrophobicContact CD2-CD1 4.46Å; Y9-I130 HydrophobicContact CE1-CB 3.76Å; Y9-I130 HydrophobicContact CE1-CD1 4.07Å; Y9-I130 HydrophobicContact CE1-CG1 4.46Å; Y9-I130 HydrophobicContact CE1-CG2 4.36Å; Y9-I130 HydrophobicContact CG-CD1 4Å
10P80Confident80.8Confident102 Ų10264.6 Ų64.666%0.66235%0.347SS*.THydrogen-bonded Turntrans-59.4-32-171.123.9-34.4000113.6T8T8-P10 WeakPolarHBondContact O-CD 3.39Å
11D87.6Confident81.5Confident108 Ų10862.6 Ų62.658%0.57834%0.336SS*.THydrogen-bonded Turntrans-93.13.5-176.7-56.2-31.9000112.9Y9 K13 E14 K15Y9-D11 PolarHBondContact O-N 2.86Å; Y9-D11 VanDerWaalsContact O-N 3.17Å; D11-K13 VanDerWaalsContact C-N 3.28Å; D11-K13 PolarHBondContact O-N 2.76Å; D11-E14 PolarHBondContact O-N 2.93Å; D11-K15 WeakPolarHBondContact O-CB 3.32Å; D11-K15 PolarHBondContact O-N 2.71Å
12L88.1Confident83.7Confident8 Ų864.2 Ų64.24%0.04234%0.342CS..Hα-helixtrans-55.4-44-175.7-179.956.5000111.9L6 Y9 E14 K15 L16 L71 I130 V132L6-L12 HydrophobicContact CD2-CD2 3.78Å; Y9-L12 WeakPolarHBondContact O-CB 2.75Å; Y9-L12 PolarHBondContact O-N 3.18Å; Y9-L12 VanDerWaalsContact O-N 3.07Å; L12-E14 PolarHBondContact O-N 2.81Å; L12-K15 PolarHBondContact O-N 3Å; L12-L16 HydrophobicContact CD1-CD1 3.87Å; L12-L16 HydrophobicContact CD1-CD2 4.16Å; L12-L16 HydrophobicContact CD1-CG 3.76Å; L12-L16 HydrophobicContact CD2-CD1 4.49Å; L12-L16 HydrophobicContact CG-CD1 3.84Å; L12-L16 HydrophobicContact CG-CG 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.22Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.91Å; L12-L71 HydrophobicContact CD2-CD2 4.36Å; L12-I130 HydrophobicContact CD1-CD1 3.49Å; L12-I130 VanDerWaalsContact CD1-CD1 3.49Å; L12-I130 HydrophobicContact CD2-CD1 4.01Å; L12-I130 HydrophobicContact CG-CD1 4.33Å; L12-V132 HydrophobicContact CD1-CG2 4.22Å
13K91.6Very high85.7Confident78 Ų7861.4 Ų61.434%0.33933%0.327SS..Hα-helixtrans-58.8-49.7-179.4-178-172.1169.4-1740112.1D11 K15 L16 Q17 L30 K31 T33D11-K13 VanDerWaalsContact C-N 3.28Å; D11-K13 PolarHBondContact O-N 2.76Å; K13-K15 VanDerWaalsContact C-N 3.32Å; K13-K15 PolarHBondContact O-N 3.25Å; K13-L16 PolarHBondContact O-N 3.43Å; K13-Q17 WeakPolarHBondContact O-CB 3.41Å; K13-Q17 PolarHBondContact O-N 3.27Å; K13-L30 WeakPolarHBondContact CE-O 3.33Å; K13-L30 HydrophobicContact CG-CD2 3.92Å; K13-L30 HydrophobicContact CG-CG 4.29Å; K13-L30 PolarHBondContact NZ-O 2.94Å; K13-K31 WeakPolarHBondContact CE-O 3.26Å; K13-K31 PolarHBondContact NZ-O 2.89Å; K13-T33 HydrophobicContact CB-CG2 4.44Å; K13-T33 HydrophobicContact CG-CG2 4.28Å
14E92.8Very high87.4Confident137 Ų13759.2 Ų59.264%0.6431%0.313SS*.Hα-helixtrans-66.3-38.6-178.4-63.8-174.4173.700111.2D11 L12 S18D11-E14 PolarHBondContact O-N 2.93Å; L12-E14 PolarHBondContact O-N 2.81Å; E14-S18 WeakPolarHBondContact O-CB 3.28Å; E14-S18 PolarHBondContact O-N 2.74Å; E14-S18 PolarHBondContact O-OG 3.28Å
15K92.5Very high88.8Confident66 Ų6663 Ų6329%0.28733%0.329SS..Hα-helixtrans-64.4-45.7176.4-164.5-177.6-164.8-1730112.5D11 L12 K13 S18 S19 A120 E122D11-K15 WeakPolarHBondContact O-CB 3.32Å; D11-K15 PolarHBondContact O-N 2.71Å; L12-K15 PolarHBondContact O-N 3Å; K13-K15 VanDerWaalsContact C-N 3.32Å; K13-K15 PolarHBondContact O-N 3.25Å; K15-S18 PolarHBondContact O-N 3.4Å; K15-S19 WeakPolarHBondContact O-CB 3.48Å; K15-S19 PolarHBondContact O-N 3.07Å; K15-A120 HydrophobicContact CD-CB 4.32Å; K15-E122 IonicContact NZ-OE1 3.2Å; K15-E122 PolarHBondContact NZ-OE1 3.22Å; K15-E122 IonicContact NZ-OE2 2.74Å; K15-E122 PolarHBondContact NZ-OE2 2.86Å
16L95Very high89.7Confident0 Ų062.4 Ų62.40%033%0.326CS..Hα-helixtrans-63.8-48176.6-70179.4000111.1L12 K13 S18 S19 I20 L30 L53 L69 V132L12-L16 HydrophobicContact CD1-CD1 3.87Å; L12-L16 HydrophobicContact CD1-CD2 4.16Å; L12-L16 HydrophobicContact CD1-CG 3.76Å; L12-L16 HydrophobicContact CD2-CD1 4.49Å; L12-L16 HydrophobicContact CG-CD1 3.84Å; L12-L16 HydrophobicContact CG-CG 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.22Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.91Å; K13-L16 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.12Å; L16-S19 PolarHBondContact O-N 3.24Å; L16-I20 HydrophobicContact CB-CD1 4.18Å; L16-I20 VanDerWaalsContact O-CB 3.27Å; L16-I20 WeakPolarHBondContact O-CB 3.42Å; L16-I20 VanDerWaalsContact O-CD1 3.3Å; L16-I20 WeakPolarHBondContact O-CD1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 2.91Å; L16-L30 HydrophobicContact CB-CD2 4.31Å; L16-L53 HydrophobicContact CD1-CD2 4.32Å; L16-L69 HydrophobicContact CD1-CD1 4.25Å; L16-L69 HydrophobicContact CD2-CD1 3.98Å; L16-V132 HydrophobicContact CD2-CB 4.04Å; L16-V132 HydrophobicContact CD2-CG1 3.72Å; L16-V132 HydrophobicContact CD2-CG2 4.13Å
17Q95.7Very high90.8Very high51 Ų5170.1 Ų70.124%0.23836%0.361CS..Hα-helixtrans-54.5-49.9176.7-177.4-178.1-60.500111K13 I20 N21 L30 W55K13-Q17 WeakPolarHBondContact O-CB 3.41Å; K13-Q17 PolarHBondContact O-N 3.27Å; Q17-I20 PolarHBondContact O-N 3.3Å; Q17-N21 VanDerWaalsContact O-CB 3.26Å; Q17-N21 WeakPolarHBondContact O-CB 3.41Å; Q17-N21 VanDerWaalsContact O-CG 3.25Å; Q17-N21 PolarHBondContact O-N 2.84Å; Q17-L30 HydrophobicContact CB-CB 3.95Å; Q17-L30 HydrophobicContact CG-CB 4.17Å; Q17-W55 HydrophobicContact CG-CZ3 4.45Å
18S95.6Very high91.7Very high73 Ų7367 Ų6751%0.5134%0.341SS..Hα-helixtrans-62.1-48.8-179-57.30000111.8E14 K15 L16 I20 N21 E22E14-S18 WeakPolarHBondContact O-CB 3.28Å; E14-S18 PolarHBondContact O-N 2.74Å; E14-S18 PolarHBondContact O-OG 3.28Å; K15-S18 PolarHBondContact O-N 3.4Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.12Å; S18-I20 PolarHBondContact O-N 2.9Å; S18-N21 PolarHBondContact O-N 3.19Å; S18-E22 WeakPolarHBondContact O-CB 3.41Å; S18-E22 PolarHBondContact O-N 3.17Å
19S95.3Very high92.3Very high7 Ų767.4 Ų67.45%0.04935%0.345CS..Hα-helixtrans-68.7-35-178.6-170.10000113K15 L16 I23 K106 Y119K15-S19 WeakPolarHBondContact O-CB 3.48Å; K15-S19 PolarHBondContact O-N 3.07Å; L16-S19 PolarHBondContact O-N 3.24Å; S19-I23 WeakPolarHBondContact O-CB 3.38Å; S19-I23 WeakPolarHBondContact O-CD1 3.36Å; S19-I23 WeakPolarHBondContact O-CG1 3.33Å; S19-I23 PolarHBondContact O-N 2.86Å; S19-K106 PolarHBondContact OG-NZ 2.91Å; S19-K106 VanDerWaalsContact OG-NZ 3.15Å; S19-Y119 WeakPolarHBondContact CB-O 3.43Å; S19-Y119 PolarHBondContact OG-O 3.07Å
20I96.1Very high92.9Very high0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-69.2-46.1178-68163.4000109.8L16 Q17 S18 E22 I23 H24 L53 W55 L65 P66 L69 Y119L16-I20 HydrophobicContact CB-CD1 4.18Å; L16-I20 VanDerWaalsContact O-CB 3.27Å; L16-I20 WeakPolarHBondContact O-CB 3.42Å; L16-I20 VanDerWaalsContact O-CD1 3.3Å; L16-I20 WeakPolarHBondContact O-CD1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 2.91Å; Q17-I20 PolarHBondContact O-N 3.3Å; S18-I20 PolarHBondContact O-N 2.9Å; I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.35Å; I20-I23 PolarHBondContact O-N 3.47Å; I20-H24 WeakPolarHBondContact O-CB 3.49Å; I20-H24 PolarHBondContact O-CD2 3.49Å; I20-H24 VanDerWaalsContact O-CD2 3.32Å; I20-H24 PolarHBondContact O-N 3.03Å; I20-L53 HydrophobicContact CD1-CD1 3.58Å; I20-W55 HydrophobicContact CB-CH2 3.97Å; I20-W55 HydrophobicContact CB-CZ2 4.31Å; I20-W55 HydrophobicContact CD1-CH2 3.93Å; I20-W55 HydrophobicContact CD1-CZ2 3.73Å; I20-W55 HydrophobicContact CG2-CH2 3.59Å; I20-W55 HydrophobicContact CG2-CZ2 3.67Å; I20-L65 HydrophobicContact CG2-CD2 3.87Å; I20-P66 HydrophobicContact CD1-CG 4.01Å; I20-P66 HydrophobicContact CG1-CG 4.15Å; I20-P66 HydrophobicContact CG2-CG 3.93Å; I20-L69 HydrophobicContact CD1-CD1 4.16Å; I20-Y119 HydrophobicContact CB-CD1 4.42Å; I20-Y119 HydrophobicContact CB-CE1 4.38Å; I20-Y119 HydrophobicContact CG1-CD1 3.47Å; I20-Y119 VanDerWaalsContact CG1-CD1 3.47Å; I20-Y119 HydrophobicContact CG1-CE1 3.63Å; I20-Y119 HydrophobicContact CG1-CG 4.29Å
21N95.6Very high93.5Very high23 Ų2366.3 Ų66.312%0.12333%0.331CS..Hα-helixtrans-59.1-42.5177.7-79.2-5.2000111.7Q17 S18 D25 T26 Y28Q17-N21 VanDerWaalsContact O-CB 3.26Å; Q17-N21 WeakPolarHBondContact O-CB 3.41Å; Q17-N21 VanDerWaalsContact O-CG 3.25Å; Q17-N21 PolarHBondContact O-N 2.84Å; S18-N21 PolarHBondContact O-N 3.19Å; N21-D25 WeakPolarHBondContact O-CA 3.49Å; N21-D25 PolarHBondContact O-N 3Å; N21-T26 WeakPolarHBondContact CB-O 3.33Å; N21-T26 PolarHBondContact O-N 2.84Å; N21-T26 PolarHBondContact OD1-OG1 3.22Å; N21-T26 VanDerWaalsContact OD1-OG1 3.14Å; N21-Y28 PolarHBondContact ND2-O 3.43Å; N21-Y28 PolarHBondContact OD1-N 2.98Å; N21-Y28 PolarHBondContact OD1-O 3.22Å
22E94.7Very high93.6Very high155 Ų15566 Ų6672%0.72433%0.326SS*.Hα-helixtrans-62.8-48.9175.5-177.1-179.9-176.700112.5S18 I20S18-E22 WeakPolarHBondContact O-CB 3.41Å; S18-E22 PolarHBondContact O-N 3.17Å; I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.35Å
23I93.4Very high93.6Very high64 Ų6466.8 Ų66.833%0.32833%0.331SS..Hα-helixtrans-67.4-39.3-176.2-72.7167000111.9S19 I20 Y119S19-I23 WeakPolarHBondContact O-CB 3.38Å; S19-I23 WeakPolarHBondContact O-CD1 3.36Å; S19-I23 WeakPolarHBondContact O-CG1 3.33Å; S19-I23 PolarHBondContact O-N 2.86Å; I20-I23 PolarHBondContact O-N 3.47Å; I23-Y119 HydrophobicContact CD1-CD1 3.74Å; I23-Y119 HydrophobicContact CD1-CE1 3.99Å
24H93.6Very high93.3Very high49 Ų4967.3 Ų67.323%0.22734%0.335CS..Hα-helixtrans-981-173.4-66.5-74.4000114.2I20 T26 K64 Y119I20-H24 WeakPolarHBondContact O-CB 3.49Å; I20-H24 PolarHBondContact O-CD2 3.49Å; I20-H24 VanDerWaalsContact O-CD2 3.32Å; I20-H24 PolarHBondContact O-N 3.03Å; H24-T26 HydrophobicContact CB-CG2 4.3Å; H24-K64 PolarHBondContact ND1-O 3.32Å; H24-Y119 AromaticContact NE2-CE1 3.72Å; H24-Y119 AromaticContact NE2-CZ 3.8Å; H24-Y119 PolarHBondContact NE2-OH 3.05Å
25D94.3Very high92.8Very high144 Ų14462.5 Ų62.577%0.7731%0.313SS*.THydrogen-bonded Turntrans5459.2-176.9-169.938.3000111.5N21N21-D25 WeakPolarHBondContact O-CA 3.49Å; N21-D25 PolarHBondContact O-N 3Å
26T93.8Very high92Very high18 Ų1864 Ų6411%0.1132%0.322CS..  trans-136.4169.9-179.462.50000111.5N21 H24 Y28 K64 L65N21-T26 WeakPolarHBondContact CB-O 3.33Å; N21-T26 PolarHBondContact O-N 2.84Å; N21-T26 PolarHBondContact OD1-OG1 3.22Å; N21-T26 VanDerWaalsContact OD1-OG1 3.14Å; H24-T26 HydrophobicContact CB-CG2 4.3Å; T26-Y28 HydrophobicContact CG2-CD2 4.09Å; T26-Y28 HydrophobicContact CG2-CE2 3.93Å; T26-K64 HydrophobicContact CG2-CD 4.29Å; T26-L65 HydrophobicContact CG2-CD2 4.24Å
27E93Very high90.6Very high186 Ų18669.6 Ų69.687%0.86935%0.347SS*.  trans-133.128.8-177.9-63.9-173.1164.300112.5
28Y93.8Very high89.1Confident61 Ų6169 Ų6924%0.23935%0.346CS..PPolyproline II helixtrans-78.5154.7-174.7-63.4-70.8000113N21 T26 D58 G59 D62 L65N21-Y28 PolarHBondContact ND2-O 3.43Å; N21-Y28 PolarHBondContact OD1-N 2.98Å; N21-Y28 PolarHBondContact OD1-O 3.22Å; T26-Y28 HydrophobicContact CG2-CD2 4.09Å; T26-Y28 HydrophobicContact CG2-CE2 3.93Å; Y28-D58 HydrophobicContact CD1-CB 4.05Å; Y28-D58 HydrophobicContact CE1-CB 3.68Å; Y28-D58 WeakPolarHBondContact CE1-O 3.31Å; Y28-G59 VanDerWaalsContact CD1-N 3.29Å; Y28-D62 HydrophobicContact CE2-CB 4.02Å; Y28-D62 VanDerWaalsContact CE2-OD2 3.31Å; Y28-D62 WeakPolarHBondContact CE2-OD2 3.43Å; Y28-D62 PolarHBondContact OH-OD2 2.92Å; Y28-L65 HydrophobicContact CD2-CD1 3.41Å; Y28-L65 VanDerWaalsContact CD2-CD1 3.41Å; Y28-L65 HydrophobicContact CD2-CD2 4.16Å; Y28-L65 HydrophobicContact CD2-CG 4.06Å; Y28-L65 HydrophobicContact CE2-CD1 4.12Å; Y28-L65 HydrophobicContact CG-CD1 3.81Å
29S94.1Very high87Confident59 Ų5975 Ų7541%0.41337%0.366SS..PPolyproline II helixtrans-95.5129175.1-59.80000111.1K31 D56S29-K31 PolarHBondContact O-N 2.86Å; S29-D56 VanDerWaalsContact CB-OD2 3.32Å; S29-D56 WeakPolarHBondContact CB-OD2 3.48Å; S29-D56 PolarHBondContact N-OD2 3.33Å; S29-D56 PolarHBondContact O-N 2.84Å
30L93.7Very high84.8Confident4 Ų480 Ų802%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-78.1116.7170.4-171.861.7000107.7K13 L16 Q17 T33 L53 W55K13-L30 WeakPolarHBondContact CE-O 3.33Å; K13-L30 HydrophobicContact CG-CD2 3.92Å; K13-L30 HydrophobicContact CG-CG 4.29Å; K13-L30 PolarHBondContact NZ-O 2.94Å; L16-L30 HydrophobicContact CB-CD2 4.31Å; Q17-L30 HydrophobicContact CB-CB 3.95Å; Q17-L30 HydrophobicContact CG-CB 4.17Å; L30-T33 HydrophobicContact CD2-CG2 3.64Å; L30-T33 HydrophobicContact CG-CG2 4.25Å; L30-L53 HydrophobicContact CD1-CB 3.85Å; L30-L53 HydrophobicContact CD1-CD2 4.09Å; L30-L53 HydrophobicContact CD1-CG 4.45Å; L30-L53 HydrophobicContact CD2-CD2 4.16Å; L30-W55 HydrophobicContact CB-CE3 4.23Å; L30-W55 HydrophobicContact CB-CH2 4.48Å; L30-W55 HydrophobicContact CB-CZ3 4.05Å; L30-W55 HydrophobicContact CD1-CD2 4.05Å; L30-W55 HydrophobicContact CD1-CE3 4.26Å; L30-W55 HydrophobicContact CD1-CH2 4.41Å; L30-W55 HydrophobicContact CD1-CZ2 4.19Å; L30-W55 HydrophobicContact CD1-CZ3 4.44Å
31K92.8Very high82.3Confident101 Ų10184.1 Ų84.144%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-78-45.5179.2-75.9-178.8174154.80111.2K13 S29 I54 W55 D56 D57K13-K31 WeakPolarHBondContact CE-O 3.26Å; K13-K31 PolarHBondContact NZ-O 2.89Å; S29-K31 PolarHBondContact O-N 2.86Å; K31-I54 WeakPolarHBondContact CA-O 3.31Å; K31-I54 HydrophobicContact CB-CG2 4.45Å; K31-I54 WeakPolarHBondContact CB-O 3.26Å; K31-I54 PolarHBondContact N-O 2.77Å; K31-W55 WeakPolarHBondContact CD-O 3.18Å; K31-D56 HydrophobicContact CD-CB 4.45Å; K31-D56 VanDerWaalsContact CE-CA 3.47Å; K31-D56 HydrophobicContact CG-CB 4.29Å; K31-D57 IonicContact NZ-OD1 4Å; K31-D57 PolarHBondContact NZ-OD1 2.93Å
32E89.5Confident80.2Confident101 Ų10184.2 Ų84.247%0.47242%0.42SS..EExtended strand (participates in β ladder)trans-152.9156.3-172.8-177.2164.1-153.300111.6E34 I54E32-E34 HydrophobicContact CG-CG 4.18Å; E32-I54 HydrophobicContact CB-CB 4.12Å; E32-I54 HydrophobicContact CB-CD1 4.16Å; E32-I54 HydrophobicContact CG-CD1 4.3Å; E32-I54 PolarHBondContact N-O 2.81Å; E32-I54 PolarHBondContact O-N 3.25Å
33T88.2Confident78.3Confident25 Ų2581.4 Ų81.415%0.15342%0.415CS..EExtended strand (participates in β ladder)trans-129.4125.1173.352.90000108.5K13 L30 V51 Q52 L53K13-T33 HydrophobicContact CB-CG2 4.44Å; K13-T33 HydrophobicContact CG-CG2 4.28Å; L30-T33 HydrophobicContact CD2-CG2 3.64Å; L30-T33 HydrophobicContact CG-CG2 4.25Å; T33-V51 HydrophobicContact CG2-CG1 4.44Å; T33-Q52 WeakPolarHBondContact CA-O 3.49Å; T33-L53 HydrophobicContact CG2-CD2 3.94Å
34E85.5Confident77Confident90 Ų9084 Ų8442%0.42142%0.423SS..EExtended strand (participates in β ladder)trans-117.1137.4178.9-57.8-177.7167.100110.1E32 V51 Q52 I54E32-E34 HydrophobicContact CG-CG 4.18Å; E34-V51 CarbonylContact O-C 3.55Å; E34-V51 WeakPolarHBondContact O-CA 3.31Å; E34-Q52 HydrophobicContact CB-CB 4.27Å; E34-Q52 PolarHBondContact N-O 3.5Å; E34-Q52 PolarHBondContact O-N 2.9Å; E34-I54 HydrophobicContact CG-CD1 4.21Å
35L83Confident76.1Confident36 Ų3681.7 Ų81.719%0.18841%0.413CS..EExtended strand (participates in β ladder)trans-85.7126.3172.3-68.9-175.9000110.6L5 L6 V49 V51 L71L5-L35 HydrophobicContact CB-CD1 3.9Å; L5-L35 HydrophobicContact CD2-CD1 4.15Å; L5-L35 HydrophobicContact CG-CD1 4.45Å; L6-L35 HydrophobicContact CD1-CD1 4.31Å; L6-L35 HydrophobicContact CD1-CD2 4.41Å; L6-L35 HydrophobicContact CD1-CG 3.77Å; L6-L35 HydrophobicContact CD2-CD1 4.18Å; L6-L35 HydrophobicContact CD2-CD2 3.77Å; L6-L35 HydrophobicContact CD2-CG 3.91Å; L6-L35 HydrophobicContact CG-CD1 3.67Å; L6-L35 HydrophobicContact CG-CD2 4.05Å; L6-L35 HydrophobicContact CG-CG 3.58Å; L35-V49 HydrophobicContact CD2-CG2 3.89Å; L35-V51 HydrophobicContact CD2-CG2 3.83Å; L35-L71 HydrophobicContact CD2-CD2 4.11Å
36E75.7Confident75.6Confident98 Ų9874.8 Ų74.846%0.45838%0.376SS..EExtended strand (participates in β ladder)trans-110.8124166.8-172.2174.9-179.600108.8I38 Q50 Q52E36-I38 PolarHBondContact O-N 3.43Å; E36-Q50 HydrophobicContact CB-CB 4.21Å; E36-Q50 PolarHBondContact N-O 3.43Å; E36-Q50 WeakPolarHBondContact O-CB 3.46Å; E36-Q50 PolarHBondContact O-N 3.27Å; E36-Q50 PolarHBondContact OE2-OE1 3.14Å; E36-Q52 HydrophobicContact CB-CG 4.5Å; E36-Q52 PolarHBondContact OE2-NE2 2.64Å
37E64.8Low75.1Confident116 Ų11676.2 Ų76.254%0.54238%0.383SS..  trans-72.3114.5-178.9-171.6168.2169.700109.5M1M1-E37 HydrophobicContact CE-CG 4.47Å; M1-E37 PolarHBondContact N-OE2 3.42Å
38I65Low74.9Confident40 Ų4068.2 Ų68.221%0.20535%0.347CS..  trans-82.2133.6170.3-50.4173.1000107.3E36 Q40 Q50 I70E36-I38 PolarHBondContact O-N 3.43Å; I38-Q40 HydrophobicContact CG2-CB 3.9Å; I38-Q40 HydrophobicContact CG2-CG 4.25Å; I38-Q40 PolarHBondContact O-N 2.94Å; I38-Q50 HydrophobicContact CD1-CB 3.63Å; I38-Q50 HydrophobicContact CD1-CG 4.49Å; I38-Q50 HydrophobicContact CG1-CB 3.52Å; I38-I70 HydrophobicContact CD1-CD1 3.47Å; I38-I70 VanDerWaalsContact CD1-CD1 3.47Å
39Q50.8Low74.6Confident198 Ų19865.4 Ų65.493%0.92534%0.336SS*.SBendtrans-63.53.8172.3-75.3-176.6-17.100114.5S41Q39-S41 PolarHBondContact O-N 3.17Å
40Q49.8Very low74.5Confident111 Ų11163.5 Ų63.552%0.51932%0.32SS..  trans-88.883.7177.1-80-172.4-13.500111.2I38 S42I38-Q40 HydrophobicContact CG2-CB 3.9Å; I38-Q40 HydrophobicContact CG2-CG 4.25Å; I38-Q40 PolarHBondContact O-N 2.94Å; Q40-S42 PolarHBondContact O-N 3.07Å
41S43.7Very low74.4Confident87 Ų8763.3 Ų63.361%0.60832%0.319SS*.  trans-73.6105.1158.465.40000108.9Q39Q39-S41 PolarHBondContact O-N 3.17Å
42S50.6Low74.4Confident26 Ų2660.1 Ų60.118%0.18231%0.306CS..  trans-59.6130.7158.9-177.90000107.8Q40 K44Q40-S42 PolarHBondContact O-N 3.07Å; S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 3.43Å
43P55.5Low74.6Confident95 Ų9555.8 Ų55.862%0.61729%0.286SS*.SBendtrans-72.5-12.5-162.120-28.5000115.8R75P43-R75 PolarHBondContact O-NH1 3.06Å
44K65.9Low74.8Confident118 Ų11857.5 Ų57.551%0.51329%0.294SS..SBendtrans-131-64.3-169.7-63.1-171.6179.1-178.70116.7S42 N91S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 3.43Å; K44-N91 PolarHBondContact O-ND2 3.35Å; K44-N91 PolarHBondContact O-OD1 3.11Å
45A75Confident75.2Confident1 Ų153.6 Ų53.61%0.00828%0.275CS..SBendtrans-88.3-31.9-164.900000116.6R75 N91 D94A45-R75 WeakPolarHBondContact O-CB 3.34Å; A45-R75 PolarHBondContact O-N 2.72Å; A45-N91 HydrophobicContact CB-CB 4.37Å; A45-D94 HydrophobicContact CB-CB 4.18Å
46K84.1Confident75.7Confident0 Ų053.2 Ų53.20%027%0.273CS..EExtended strand (participates in β ladder)trans-140.7158.8-167.366.5-167.8-179.6-1770113.4Q72 V73 Y95 E98 N270K46-Q72 HydrophobicContact CD-CB 4.23Å; K46-Q72 HydrophobicContact CD-CG 4.25Å; K46-Q72 VanDerWaalsContact NZ-CD 3.29Å; K46-V73 CarbonylContact C-O 3.48Å; K46-V73 VanDerWaalsContact CA-O 3.25Å; K46-V73 WeakPolarHBondContact CA-O 3.38Å; K46-V73 WeakPolarHBondContact CB-O 3.35Å; K46-Y95 HydrophobicContact CB-CD2 4.08Å; K46-E98 IonicContact NZ-OE1 3.6Å; K46-E98 PolarHBondContact NZ-OE1 3.07Å; K46-E98 IonicContact NZ-OE2 3.89Å; K46-E98 PolarHBondContact NZ-OE2 3.08Å; K46-N270 PolarHBondContact NZ-OD1 3.22Å
47I83.7Confident76.2Confident48 Ų4854.4 Ų54.425%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-100.7132.2168.4-60166.4000107.1M1 V49 Q72 V73 R75M1-I47 HydrophobicContact CE-CG2 3.86Å; M1-I47 HydrophobicContact SD-CG2 4.39Å; I47-V49 HydrophobicContact CG2-CG1 4.17Å; I47-Q72 VanDerWaalsContact O-CA 3.31Å; I47-Q72 WeakPolarHBondContact O-CA 3.3Å; I47-V73 HydrophobicContact CB-CG2 3.79Å; I47-V73 HydrophobicContact CD1-CG2 4.48Å; I47-V73 HydrophobicContact CG2-CG2 4.45Å; I47-V73 PolarHBondContact N-O 3.49Å; I47-V73 PolarHBondContact O-N 2.85Å; I47-R75 HydrophobicContact CG1-CB 4.42Å
48T87.3Confident77.1Confident18 Ų1855 Ų5511%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-114.5129.6178.4-54.60000109.2I70 L71 Q72T48-I70 HydrophobicContact CG2-CG2 3.48Å; T48-I70 VanDerWaalsContact CG2-CG2 3.48Å; T48-L71 CarbonylContact C-O 3.48Å; T48-L71 WeakPolarHBondContact CA-O 3.1Å; T48-Q72 HydrophobicContact CG2-CG 4.06Å
49V88.3Confident78Confident2 Ų253.1 Ų53.11%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-135.5157.6177.2-59.40000110.6M1 L5 L35 I47 L71M1-V49 HydrophobicContact CE-CG1 4.45Å; M1-V49 HydrophobicContact SD-CG1 3.75Å; L5-V49 HydrophobicContact CD2-CG1 4.47Å; L5-V49 HydrophobicContact CD2-CG2 4.24Å; L35-V49 HydrophobicContact CD2-CG2 3.89Å; I47-V49 HydrophobicContact CG2-CG1 4.17Å; V49-L71 HydrophobicContact CG2-CB 3.71Å; V49-L71 HydrophobicContact CG2-CD2 3.72Å; V49-L71 HydrophobicContact CG2-CG 3.83Å; V49-L71 PolarHBondContact N-O 3.2Å; V49-L71 PolarHBondContact O-N 2.8Å
50Q91.6Very high79.5Confident19 Ų1946 Ų469%0.08925%0.252CS..EExtended strand (participates in β ladder)trans-91.7140.5173.1-164.9166.186.700108.2E36 I38 K68 L69 D135E36-Q50 HydrophobicContact CB-CB 4.21Å; E36-Q50 PolarHBondContact N-O 3.43Å; E36-Q50 WeakPolarHBondContact O-CB 3.46Å; E36-Q50 PolarHBondContact O-N 3.27Å; E36-Q50 PolarHBondContact OE2-OE1 3.14Å; I38-Q50 HydrophobicContact CD1-CB 3.63Å; I38-Q50 HydrophobicContact CD1-CG 4.49Å; I38-Q50 HydrophobicContact CG1-CB 3.52Å; Q50-K68 HydrophobicContact CG-CB 4.38Å; Q50-L69 CarbonylContact C-O 3.56Å; Q50-L69 WeakPolarHBondContact CA-O 3.27Å; Q50-D135 PolarHBondContact NE2-OD2 3.04Å
51V91.4Very high81.4Confident0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-113.4117.7171.2-1700000107.7T33 E34 L35 L53 K68 L69 L71T33-V51 HydrophobicContact CG2-CG1 4.44Å; E34-V51 CarbonylContact O-C 3.55Å; E34-V51 WeakPolarHBondContact O-CA 3.31Å; L35-V51 HydrophobicContact CD2-CG2 3.83Å; V51-L53 HydrophobicContact CG1-CD2 4.13Å; V51-K68 CarbonylContact O-C 3.55Å; V51-K68 WeakPolarHBondContact O-CA 3.44Å; V51-L69 HydrophobicContact CB-CB 4.42Å; V51-L69 PolarHBondContact N-O 2.79Å; V51-L69 PolarHBondContact O-N 2.98Å; V51-L71 HydrophobicContact CG2-CB 3.51Å; V51-L71 HydrophobicContact CG2-CD2 4.11Å; V51-L71 HydrophobicContact CG2-CG 4.44Å
52Q92.5Very high83.5Confident33 Ų3345.1 Ų45.115%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-79.9134.3168.3-61-62-24.800109.1T33 E34 E36 K67T33-Q52 WeakPolarHBondContact CA-O 3.49Å; E34-Q52 HydrophobicContact CB-CB 4.27Å; E34-Q52 PolarHBondContact N-O 3.5Å; E34-Q52 PolarHBondContact O-N 2.9Å; E36-Q52 HydrophobicContact CB-CG 4.5Å; E36-Q52 PolarHBondContact OE2-NE2 2.64Å; Q52-K67 PolarHBondContact OE1-O 3.03Å
53L93.6Very high85.4Confident11 Ų1153.2 Ų53.26%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-108.1122.8178.3-59.3-176.8000109.9L16 I20 L30 T33 V51 W55 P66 K67 L69L16-L53 HydrophobicContact CD1-CD2 4.32Å; I20-L53 HydrophobicContact CD1-CD1 3.58Å; L30-L53 HydrophobicContact CD1-CB 3.85Å; L30-L53 HydrophobicContact CD1-CD2 4.09Å; L30-L53 HydrophobicContact CD1-CG 4.45Å; L30-L53 HydrophobicContact CD2-CD2 4.16Å; T33-L53 HydrophobicContact CG2-CD2 3.94Å; V51-L53 HydrophobicContact CG1-CD2 4.13Å; L53-W55 HydrophobicContact CD1-CZ2 4.13Å; L53-P66 HydrophobicContact CD1-CB 4.33Å; L53-P66 HydrophobicContact CD1-CG 3.96Å; L53-P66 WeakPolarHBondContact CD1-O 3.26Å; L53-K67 PolarHBondContact N-O 3.2Å; L53-L69 HydrophobicContact CD1-CD1 3.7Å; L53-L69 HydrophobicContact CD1-CG 3.78Å; L53-L69 HydrophobicContact CD2-CD1 4.3Å; L53-L69 HydrophobicContact CG-CD1 4.35Å; L53-L69 HydrophobicContact CG-CG 4.32Å
54I93.3Very high87Confident61 Ų6154.1 Ų54.131%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-108.9106.7177-56.2177.4000107.8K31 E32 E34K31-I54 WeakPolarHBondContact CA-O 3.31Å; K31-I54 HydrophobicContact CB-CG2 4.45Å; K31-I54 WeakPolarHBondContact CB-O 3.26Å; K31-I54 PolarHBondContact N-O 2.77Å; E32-I54 HydrophobicContact CB-CB 4.12Å; E32-I54 HydrophobicContact CB-CD1 4.16Å; E32-I54 HydrophobicContact CG-CD1 4.3Å; E32-I54 PolarHBondContact N-O 2.81Å; E32-I54 PolarHBondContact O-N 3.25Å; E34-I54 HydrophobicContact CG-CD1 4.21Å
55W94.3Very high88.3Confident7 Ų748.9 Ų48.93%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-82.3168.6179.1-64.697.5000111.9Q17 I20 L30 K31 L53 S60 L65 P66Q17-W55 HydrophobicContact CG-CZ3 4.45Å; I20-W55 HydrophobicContact CB-CH2 3.97Å; I20-W55 HydrophobicContact CB-CZ2 4.31Å; I20-W55 HydrophobicContact CD1-CH2 3.93Å; I20-W55 HydrophobicContact CD1-CZ2 3.73Å; I20-W55 HydrophobicContact CG2-CH2 3.59Å; I20-W55 HydrophobicContact CG2-CZ2 3.67Å; L30-W55 HydrophobicContact CB-CE3 4.23Å; L30-W55 HydrophobicContact CB-CH2 4.48Å; L30-W55 HydrophobicContact CB-CZ3 4.05Å; L30-W55 HydrophobicContact CD1-CD2 4.05Å; L30-W55 HydrophobicContact CD1-CE3 4.26Å; L30-W55 HydrophobicContact CD1-CH2 4.41Å; L30-W55 HydrophobicContact CD1-CZ2 4.19Å; L30-W55 HydrophobicContact CD1-CZ3 4.44Å; K31-W55 WeakPolarHBondContact CD-O 3.18Å; L53-W55 HydrophobicContact CD1-CZ2 4.13Å; W55-S60 PolarHBondContact O-OG 3.48Å; W55-L65 HydrophobicContact CB-CD1 4.41Å; W55-L65 HydrophobicContact CD2-CB 4.5Å; W55-L65 HydrophobicContact CD2-CD1 3.55Å; W55-L65 HydrophobicContact CD2-CG 4.48Å; W55-L65 HydrophobicContact CE3-CD1 3.84Å; W55-L65 HydrophobicContact CG-CD1 3.79Å; W55-L65 HydrophobicContact CH2-CD2 4.23Å; W55-L65 HydrophobicContact CZ2-CB 4.4Å; W55-L65 HydrophobicContact CZ2-CD1 4.41Å; W55-L65 HydrophobicContact CZ2-CD2 4.16Å; W55-L65 HydrophobicContact CZ3-CD1 4.36Å; W55-P66 PolarHBondContact NE1-O 2.94Å
56D93.1Very high89.2Confident28 Ų2849.7 Ų49.715%0.1526%0.256CS..  trans-63.4173.3166.36221.2000112.8S29 K31 D58 G59 S60S29-D56 VanDerWaalsContact CB-OD2 3.32Å; S29-D56 WeakPolarHBondContact CB-OD2 3.48Å; S29-D56 PolarHBondContact N-OD2 3.33Å; S29-D56 PolarHBondContact O-N 2.84Å; K31-D56 HydrophobicContact CD-CB 4.45Å; K31-D56 VanDerWaalsContact CE-CA 3.47Å; K31-D56 HydrophobicContact CG-CB 4.29Å; D56-D58 PolarHBondContact O-N 2.83Å; D56-G59 PolarHBondContact O-N 2.84Å; D56-G59 PolarHBondContact OD1-N 3.36Å; D56-S60 WeakPolarHBondContact O-CB 3.44Å; D56-S60 PolarHBondContact O-N 3.04Å; D56-S60 PolarHBondContact O-OG 3.49Å
57D85.6Confident89.6Confident124 Ų12455.9 Ų55.966%0.66328%0.283SS*.THydrogen-bonded Turntrans-63.1-33.2-173.1-63.4-10.1000110.8K31K31-D57 IonicContact NZ-OD1 4Å; K31-D57 PolarHBondContact NZ-OD1 2.93Å
58D83.6Confident90.2Very high127 Ų12756.8 Ų56.868%0.67929%0.285SS*.THydrogen-bonded Turntrans-75.4-36.3179-61.5-41.1000112Y28 D56Y28-D58 HydrophobicContact CD1-CB 4.05Å; Y28-D58 HydrophobicContact CE1-CB 3.68Å; Y28-D58 WeakPolarHBondContact CE1-O 3.31Å; D56-D58 PolarHBondContact O-N 2.83Å
59G83.7Confident90.6Very high1 Ų155.9 Ų55.91%0.0128%0.28CS..THydrogen-bonded Turntrans-81.4-24.8179.100000114.4Y28 D56 D61 D62 L65Y28-G59 VanDerWaalsContact CD1-N 3.29Å; D56-G59 PolarHBondContact O-N 2.84Å; D56-G59 PolarHBondContact OD1-N 3.36Å; G59-D61 PolarHBondContact O-N 3.45Å; G59-D62 PolarHBondContact O-N 2.85Å; G59-L65 WeakPolarHBondContact O-CD1 3.08Å
60S83.9Confident90.8Very high48 Ų4857.1 Ų57.134%0.33629%0.286SS..THydrogen-bonded Turntrans-62-26.5-177.3-66.80000113.8W55 D56W55-S60 PolarHBondContact O-OG 3.48Å; D56-S60 WeakPolarHBondContact O-CB 3.44Å; D56-S60 PolarHBondContact O-N 3.04Å; D56-S60 PolarHBondContact O-OG 3.49Å
61D87.9Confident90.9Very high147 Ų14756.2 Ų56.279%0.78628%0.282SS*.THydrogen-bonded Turntrans-95.3-5.9178.9-72.6-20.3000113.2G59 E63G59-D61 PolarHBondContact O-N 3.45Å; D61-E63 PolarHBondContact O-N 2.82Å
62D88.9Confident90.9Very high34 Ų3456.8 Ų56.818%0.18228%0.284CS..  trans-81115.5178.5-165.1-24.4000111Y28 G59 K64 L65Y28-D62 HydrophobicContact CE2-CB 4.02Å; Y28-D62 VanDerWaalsContact CE2-OD2 3.31Å; Y28-D62 WeakPolarHBondContact CE2-OD2 3.43Å; Y28-D62 PolarHBondContact OH-OD2 2.92Å; G59-D62 PolarHBondContact O-N 2.85Å; D62-K64 PolarHBondContact O-N 2.99Å; D62-K64 VanDerWaalsContact OD1-CB 3.26Å; D62-K64 WeakPolarHBondContact OD1-CB 3.17Å; D62-K64 WeakPolarHBondContact OD1-CG 3.4Å; D62-K64 PolarHBondContact OD1-N 3.48Å; D62-L65 HydrophobicContact CB-CD1 4.33Å; D62-L65 HydrophobicContact CB-CG 4.23Å; D62-L65 PolarHBondContact O-N 3.29Å
63E89.6Confident90.7Very high195 Ų19555.4 Ų55.491%0.91128%0.278SS*.THydrogen-bonded Turntrans-66.4-14.8178.2-64.1-174.8166.800113.6D61D61-E63 PolarHBondContact O-N 2.82Å
64K89.7Confident90.4Very high115 Ų11555.3 Ų55.350%0.528%0.278SS..THydrogen-bonded Turntrans-73.4-29.3174.3-63.9176.2177.4-176.70112.5H24 T26 D62H24-K64 PolarHBondContact ND1-O 3.32Å; T26-K64 HydrophobicContact CG2-CD 4.29Å; D62-K64 PolarHBondContact O-N 2.99Å; D62-K64 VanDerWaalsContact OD1-CB 3.26Å; D62-K64 WeakPolarHBondContact OD1-CB 3.17Å; D62-K64 WeakPolarHBondContact OD1-CG 3.4Å; D62-K64 PolarHBondContact OD1-N 3.48Å
65L92.9Very high89.7Confident8 Ų854 Ų544%0.04227%0.27CS..SBendtrans-79.2131.8-173.5-66.5-179.1000111I20 T26 Y28 W55 G59 D62 K67I20-L65 HydrophobicContact CG2-CD2 3.87Å; T26-L65 HydrophobicContact CG2-CD2 4.24Å; Y28-L65 HydrophobicContact CD2-CD1 3.41Å; Y28-L65 VanDerWaalsContact CD2-CD1 3.41Å; Y28-L65 HydrophobicContact CD2-CD2 4.16Å; Y28-L65 HydrophobicContact CD2-CG 4.06Å; Y28-L65 HydrophobicContact CE2-CD1 4.12Å; Y28-L65 HydrophobicContact CG-CD1 3.81Å; W55-L65 HydrophobicContact CB-CD1 4.41Å; W55-L65 HydrophobicContact CD2-CB 4.5Å; W55-L65 HydrophobicContact CD2-CD1 3.55Å; W55-L65 HydrophobicContact CD2-CG 4.48Å; W55-L65 HydrophobicContact CE3-CD1 3.84Å; W55-L65 HydrophobicContact CG-CD1 3.79Å; W55-L65 HydrophobicContact CH2-CD2 4.23Å; W55-L65 HydrophobicContact CZ2-CB 4.4Å; W55-L65 HydrophobicContact CZ2-CD1 4.41Å; W55-L65 HydrophobicContact CZ2-CD2 4.16Å; W55-L65 HydrophobicContact CZ3-CD1 4.36Å; G59-L65 WeakPolarHBondContact O-CD1 3.08Å; D62-L65 HydrophobicContact CB-CD1 4.33Å; D62-L65 HydrophobicContact CB-CG 4.23Å; D62-L65 PolarHBondContact O-N 3.29Å; L65-K67 PolarHBondContact O-N 3.4Å
66P94.3Very high88.8Confident18 Ų1856.2 Ų56.212%0.11728%0.282CS..  trans-64.7136172.327.9-33.2000109.6I20 L53 W55 L69 Y119I20-P66 HydrophobicContact CD1-CG 4.01Å; I20-P66 HydrophobicContact CG1-CG 4.15Å; I20-P66 HydrophobicContact CG2-CG 3.93Å; L53-P66 HydrophobicContact CD1-CB 4.33Å; L53-P66 HydrophobicContact CD1-CG 3.96Å; L53-P66 WeakPolarHBondContact CD1-O 3.26Å; W55-P66 PolarHBondContact NE1-O 2.94Å; P66-L69 HydrophobicContact CB-CD2 3.88Å; P66-L69 HydrophobicContact CG-CD2 4.15Å; P66-Y119 HydrophobicContact CG-CE1 4.46Å
67K93.3Very high87.1Confident130 Ų13062.4 Ų62.457%0.56531%0.309SS*.SBendtrans-93.2-22.4172-61.6-178.2-179-178.40111.8Q52 L53 L65Q52-K67 PolarHBondContact OE1-O 3.03Å; L53-K67 PolarHBondContact N-O 3.2Å; L65-K67 PolarHBondContact O-N 3.4Å
68K94.5Very high85.5Confident66 Ų6658.7 Ų58.729%0.28730%0.3SS..EExtended strand (participates in β ladder)trans-139141.6-175.3-68.8178.1-174.5-149.80109.9Q50 V51 D135Q50-K68 HydrophobicContact CG-CB 4.38Å; V51-K68 CarbonylContact O-C 3.55Å; V51-K68 WeakPolarHBondContact O-CA 3.44Å; K68-D135 HydrophobicContact CB-CB 3.81Å; K68-D135 WeakPolarHBondContact O-CB 3.45Å
69L95.7Very high83.6Confident0 Ų061.4 Ų61.40%031%0.309CS..EExtended strand (participates in β ladder)trans-131.3159.4172.1-62.2-179.2000110.4L16 I20 Q50 V51 L53 P66 Y119 V132 L133L16-L69 HydrophobicContact CD1-CD1 4.25Å; L16-L69 HydrophobicContact CD2-CD1 3.98Å; I20-L69 HydrophobicContact CD1-CD1 4.16Å; Q50-L69 CarbonylContact C-O 3.56Å; Q50-L69 WeakPolarHBondContact CA-O 3.27Å; V51-L69 HydrophobicContact CB-CB 4.42Å; V51-L69 PolarHBondContact N-O 2.79Å; V51-L69 PolarHBondContact O-N 2.98Å; L53-L69 HydrophobicContact CD1-CD1 3.7Å; L53-L69 HydrophobicContact CD1-CG 3.78Å; L53-L69 HydrophobicContact CD2-CD1 4.3Å; L53-L69 HydrophobicContact CG-CD1 4.35Å; L53-L69 HydrophobicContact CG-CG 4.32Å; P66-L69 HydrophobicContact CB-CD2 3.88Å; P66-L69 HydrophobicContact CG-CD2 4.15Å; L69-Y119 HydrophobicContact CD1-CD2 4.18Å; L69-Y119 HydrophobicContact CD1-CG 4.44Å; L69-Y119 HydrophobicContact CD2-CD2 3.48Å; L69-Y119 VanDerWaalsContact CD2-CD2 3.48Å; L69-Y119 HydrophobicContact CD2-CE2 3.24Å; L69-Y119 HydrophobicContact CD2-CG 4.38Å; L69-Y119 HydrophobicContact CG-CD2 4.48Å; L69-V132 HydrophobicContact CB-CG1 3.87Å; L69-V132 HydrophobicContact CD1-CG1 3.66Å; L69-V132 HydrophobicContact CG-CG1 4.34Å; L69-L133 WeakPolarHBondContact CA-O 3.44Å
70I94.1Very high81.4Confident27 Ų2764.8 Ų64.814%0.13833%0.332CS..EExtended strand (participates in β ladder)trans-100.3120169.9-60.1-61.1000108.6I38 T48 Q72 V132 L133 D135I38-I70 HydrophobicContact CD1-CD1 3.47Å; I38-I70 VanDerWaalsContact CD1-CD1 3.47Å; T48-I70 HydrophobicContact CG2-CG2 3.48Å; T48-I70 VanDerWaalsContact CG2-CG2 3.48Å; I70-Q72 HydrophobicContact CG2-CG 4.14Å; I70-V132 CarbonylContact O-C 3.56Å; I70-V132 WeakPolarHBondContact O-CA 3.37Å; I70-L133 HydrophobicContact CB-CB 4.41Å; I70-L133 PolarHBondContact N-O 3.02Å; I70-L133 PolarHBondContact O-N 2.58Å; I70-D135 HydrophobicContact CD1-CB 4.26Å; I70-D135 VanDerWaalsContact CD1-OD2 3.31Å; I70-D135 WeakPolarHBondContact CD1-OD2 3.39Å; I70-D135 HydrophobicContact CG1-CB 4.07Å
71L92.6Very high79.5Confident1 Ų171 Ų711%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-101.7128.1172.7166.765.1000109.6L5 L12 L35 T48 V49 V51 V73 I130 V132L5-L71 HydrophobicContact CD2-CD2 4.45Å; L12-L71 HydrophobicContact CD2-CD2 4.36Å; L35-L71 HydrophobicContact CD2-CD2 4.11Å; T48-L71 CarbonylContact C-O 3.48Å; T48-L71 WeakPolarHBondContact CA-O 3.1Å; V49-L71 HydrophobicContact CG2-CB 3.71Å; V49-L71 HydrophobicContact CG2-CD2 3.72Å; V49-L71 HydrophobicContact CG2-CG 3.83Å; V49-L71 PolarHBondContact N-O 3.2Å; V49-L71 PolarHBondContact O-N 2.8Å; V51-L71 HydrophobicContact CG2-CB 3.51Å; V51-L71 HydrophobicContact CG2-CD2 4.11Å; V51-L71 HydrophobicContact CG2-CG 4.44Å; L71-V73 HydrophobicContact CD1-CG1 3.94Å; L71-V73 HydrophobicContact CG-CG1 4.15Å; L71-I130 HydrophobicContact CD1-CD1 3.37Å; L71-I130 HydrophobicContact CD1-CG1 3.41Å; L71-I130 VanDerWaalsContact CD1-CG1 3.41Å; L71-V132 HydrophobicContact CD1-CG2 3.82Å
72Q91.9Very high77.4Confident11 Ų1166.9 Ų66.95%0.05135%0.345CS..EExtended strand (participates in β ladder)trans-120133.5175-66.1178.30.100110K46 I47 T48 I70 L131K46-Q72 HydrophobicContact CD-CB 4.23Å; K46-Q72 HydrophobicContact CD-CG 4.25Å; K46-Q72 VanDerWaalsContact NZ-CD 3.29Å; I47-Q72 VanDerWaalsContact O-CA 3.31Å; I47-Q72 WeakPolarHBondContact O-CA 3.3Å; T48-Q72 HydrophobicContact CG2-CG 4.06Å; I70-Q72 HydrophobicContact CG2-CG 4.14Å; Q72-L131 HydrophobicContact CB-CB 4.15Å; Q72-L131 PolarHBondContact N-O 3.32Å; Q72-L131 PolarHBondContact O-N 3.21Å
73V88.6Confident75.5Confident4 Ų471.3 Ų71.32%0.02438%0.375CS..EExtended strand (participates in β ladder)trans-133.7147.9179.7-59.40000109.7L5 Y9 K46 I47 L71L5-V73 HydrophobicContact CD1-CG2 4.19Å; L5-V73 HydrophobicContact CD2-CG2 4.38Å; Y9-V73 HydrophobicContact CE2-CG1 3.82Å; Y9-V73 WeakPolarHBondContact OH-CB 3.4Å; Y9-V73 WeakPolarHBondContact OH-CG1 3.43Å; K46-V73 CarbonylContact C-O 3.48Å; K46-V73 VanDerWaalsContact CA-O 3.25Å; K46-V73 WeakPolarHBondContact CA-O 3.38Å; K46-V73 WeakPolarHBondContact CB-O 3.35Å; I47-V73 HydrophobicContact CB-CG2 3.79Å; I47-V73 HydrophobicContact CD1-CG2 4.48Å; I47-V73 HydrophobicContact CG2-CG2 4.45Å; I47-V73 PolarHBondContact N-O 3.49Å; I47-V73 PolarHBondContact O-N 2.85Å; L71-V73 HydrophobicContact CD1-CG1 3.94Å; L71-V73 HydrophobicContact CG-CG1 4.15Å
74P86.7Confident74.2Confident9 Ų966.2 Ų66.26%0.05835%0.354CS..EExtended strand (participates in β ladder)trans-64.5139.8-178.326.7-33.9000111L76 Y95 E124 G129P74-L76 HydrophobicContact CB-CD2 4.21Å; P74-L76 HydrophobicContact CG-CD2 4.29Å; P74-L76 HydrophobicContact CG-CG 4.45Å; P74-L76 PolarHBondContact O-N 2.97Å; P74-Y95 HydrophobicContact CB-CD1 3.88Å; P74-Y95 HydrophobicContact CB-CD2 4.25Å; P74-Y95 HydrophobicContact CB-CE1 4.27Å; P74-Y95 HydrophobicContact CB-CG 3.9Å; P74-Y95 HydrophobicContact CG-CD1 4.29Å; P74-Y95 HydrophobicContact CG-CE1 4.2Å; P74-E124 HydrophobicContact CB-CB 4.48Å; P74-E124 HydrophobicContact CG-CB 4.11Å; P74-E124 HydrophobicContact CG-CG 4.18Å; P74-E124 WeakPolarHBondContact CG-OE2 3.5Å; P74-G129 VanDerWaalsContact CD-O 3.24Å; P74-G129 WeakPolarHBondContact CD-O 3.24Å
75R79.4Confident73.1Confident35 Ų3566.3 Ų66.313%0.13236%0.36CS..  trans-83.693.2172.7-175.4176.2-77.2167.5-1109.1P43 A45 I47 H77P43-R75 PolarHBondContact O-NH1 3.06Å; A45-R75 WeakPolarHBondContact O-CB 3.34Å; A45-R75 PolarHBondContact O-N 2.72Å; I47-R75 HydrophobicContact CG1-CB 4.42Å; R75-H77 VanDerWaalsContact C-N 3.34Å; R75-H77 VanDerWaalsContact CG-O 3.26Å; R75-H77 WeakPolarHBondContact CG-O 3.11Å
76L74.8Confident72.1Confident53 Ų5371.3 Ų71.328%0.27738%0.383SS..  trans-77-17.6-178.4-61179.3000114.4P74 V92 E124P74-L76 HydrophobicContact CB-CD2 4.21Å; P74-L76 HydrophobicContact CG-CD2 4.29Å; P74-L76 HydrophobicContact CG-CG 4.45Å; P74-L76 PolarHBondContact O-N 2.97Å; L76-V92 HydrophobicContact CD2-CG2 4.03Å; L76-E124 HydrophobicContact CD2-CG 4.21Å
77H58.3Low71Confident157 Ų15772.6 Ų72.673%0.72740%0.396SS*.SBendtrans-124.5120.1177.7-62.5-57.7000109.9R75R75-H77 VanDerWaalsContact C-N 3.34Å; R75-H77 VanDerWaalsContact CG-O 3.26Å; R75-H77 WeakPolarHBondContact CG-O 3.11Å
78G50.3Low70.1Confident46 Ų4670.9 Ų70.947%0.47439%0.388SS..  trans-65.6146.8168.800000110S80G78-S80 PolarHBondContact O-N 2.78Å
79Q44.4Very low69.5Low185 Ų18573.9 Ų73.986%0.86440%0.403SS*.SBendtrans-65.91.8168.8-74.7-175.5-5.200112.8
80S38.7Very low68.7Low71 Ų7175.4 Ų75.450%0.49741%0.413SS..SBendtrans-96.3127.316560.40000109.8G78 S82G78-S80 PolarHBondContact O-N 2.78Å; S80-S82 PolarHBondContact O-N 2.83Å; S80-S82 PolarHBondContact OG-OG 2.78Å
81D43Very low68.1Low178 Ų17875.3 Ų75.395%0.95241%0.413SS*.  trans-61.418.3166.5-70.8-42.7000113.3
82S44.4Very low67.9Low62 Ų6276.7 Ų76.743%0.43442%0.421SS..  trans-86.3123173.2630000109S80 D84S80-S82 PolarHBondContact O-N 2.83Å; S80-S82 PolarHBondContact OG-OG 2.78Å; S82-D84 PolarHBondContact O-N 2.78Å
83P47.7Very low67.7Low126 Ų12680.8 Ų80.882%0.81844%0.439SS*.  trans-71.873.9168.131.6-31.8000108.1
84D62.3Low67.6Low89 Ų8982.6 Ų82.648%0.47645%0.448SS..  trans-98.483.9173.8-160.5-4000108.2S82 H86 A87 K88S82-D84 PolarHBondContact O-N 2.78Å; D84-H86 PolarHBondContact O-N 3.18Å; D84-H86 VanDerWaalsContact O-N 3.13Å; D84-A87 HydrophobicContact CB-CB 4.2Å; D84-A87 PolarHBondContact O-N 3.38Å; D84-A87 VanDerWaalsContact O-N 3.12Å; D84-K88 PolarHBondContact O-N 2.86Å
85D67.8Low67.8Low117 Ų11782.2 Ų82.263%0.62645%0.446SS*.Hα-helixtrans-52.8-31178.1-73.9-29.1000111K88 E89D85-K88 PolarHBondContact O-N 3.48Å; D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.31Å
86H72.1Confident68.4Low112 Ų11281.8 Ų81.852%0.51945%0.446SS..Hα-helixtrans-67.8-43.2179.4-169.353.6000112.8D84 K88 E89 C90D84-H86 PolarHBondContact O-N 3.18Å; D84-H86 VanDerWaalsContact O-N 3.13Å; H86-K88 VanDerWaalsContact C-N 3.27Å; H86-K88 PolarHBondContact O-N 2.79Å; H86-E89 PolarHBondContact O-N 2.92Å; H86-C90 PolarHBondContact O-N 2.85Å
87A70.4Confident69.1Low46 Ų4680.4 Ų80.438%0.3844%0.441SS..Hα-helixtrans-63.6-36.9176.700000111.4D84 N91D84-A87 HydrophobicContact CB-CB 4.2Å; D84-A87 PolarHBondContact O-N 3.38Å; D84-A87 VanDerWaalsContact O-N 3.12Å; A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 3.01Å; A87-N91 PolarHBondContact O-ND2 2.83Å
88K75Confident70.8Confident94 Ų9473 Ų7341%0.40941%0.406SS..Hα-helixtrans-64.9-46.9174.5-173.5-175.3177.6-1720111.5D84 D85 H86 C90 N91 V92D84-K88 PolarHBondContact O-N 2.86Å; D85-K88 PolarHBondContact O-N 3.48Å; H86-K88 VanDerWaalsContact C-N 3.27Å; H86-K88 PolarHBondContact O-N 2.79Å; K88-C90 VanDerWaalsContact C-N 3.34Å; K88-C90 PolarHBondContact O-N 2.53Å; K88-N91 PolarHBondContact O-N 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.07Å; K88-V92 PolarHBondContact O-N 2.83Å
89E80.9Confident72.9Confident129 Ų12970.9 Ų70.960%0.60338%0.384SS*.Hα-helixtrans-59.4-43.5177.1-75.8175-179.500112.1D85 H86 V92 K93D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.31Å; H86-E89 PolarHBondContact O-N 2.92Å; E89-V92 PolarHBondContact O-N 3.19Å; E89-K93 WeakPolarHBondContact O-CB 3.25Å; E89-K93 PolarHBondContact O-N 2.79Å
90C79.5Confident75.3Confident31 Ų3165.3 Ų65.321%0.20936%0.359CS..Hα-helixtrans-60.8-48.4174.3-77.20000111.9H86 K88 V92 K93 D94H86-C90 PolarHBondContact O-N 2.85Å; K88-C90 VanDerWaalsContact C-N 3.34Å; K88-C90 PolarHBondContact O-N 2.53Å; C90-V92 VanDerWaalsContact C-N 3.33Å; C90-V92 PolarHBondContact O-N 2.93Å; C90-K93 WeakPolarHBondContact O-CB 3.3Å; C90-K93 PolarHBondContact O-N 2.84Å; C90-D94 WeakPolarHBondContact O-CB 3.42Å; C90-D94 VanDerWaalsContact O-CG 3.25Å; C90-D94 PolarHBondContact O-N 3.36Å
91N82.3Confident77.9Confident26 Ų2662 Ų6214%0.13934%0.335CS..Hα-helixtrans-59.6-42.2178.8-73.5-14.3000112.5K44 A45 A87 K88 Y95K44-N91 PolarHBondContact O-ND2 3.35Å; K44-N91 PolarHBondContact O-OD1 3.11Å; A45-N91 HydrophobicContact CB-CB 4.37Å; A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 3.01Å; A87-N91 PolarHBondContact O-ND2 2.83Å; K88-N91 PolarHBondContact O-N 3.26Å; N91-Y95 VanDerWaalsContact O-CB 3.23Å; N91-Y95 WeakPolarHBondContact O-CB 3.08Å; N91-Y95 PolarHBondContact O-N 2.82Å
92V87.5Confident80.4Confident29 Ų2953.6 Ų53.618%0.17629%0.29CS..Hα-helixtrans-66-42.3177.4168.80000111L76 K88 E89 C90 Y95 N96 E124L76-V92 HydrophobicContact CD2-CG2 4.03Å; K88-V92 WeakPolarHBondContact O-CG2 3.07Å; K88-V92 PolarHBondContact O-N 2.83Å; E89-V92 PolarHBondContact O-N 3.19Å; C90-V92 VanDerWaalsContact C-N 3.33Å; C90-V92 PolarHBondContact O-N 2.93Å; V92-Y95 PolarHBondContact O-N 3.15Å; V92-N96 WeakPolarHBondContact O-CB 3.33Å; V92-N96 VanDerWaalsContact O-CG 3.27Å; V92-N96 PolarHBondContact O-N 3.18Å; V92-E124 HydrophobicContact CG1-CB 4.04Å; V92-E124 HydrophobicContact CG1-CG 4.02Å; V92-E124 HydrophobicContact CG2-CG 4.22Å
93K87.1Confident82.8Confident97 Ų9751.8 Ų51.842%0.42228%0.279SS..Hα-helixtrans-61.4-48.3176.8-179.6-171168.9-164.20111.7E89 C90 N96 S97E89-K93 WeakPolarHBondContact O-CB 3.25Å; E89-K93 PolarHBondContact O-N 2.79Å; C90-K93 WeakPolarHBondContact O-CB 3.3Å; C90-K93 PolarHBondContact O-N 2.84Å; K93-N96 PolarHBondContact O-N 3.17Å; K93-S97 WeakPolarHBondContact O-CB 3.37Å; K93-S97 PolarHBondContact O-N 3.23Å
94D86.5Confident85Confident42 Ų4245.8 Ų45.823%0.22524%0.24CC..Hα-helixtrans-64.5-42.2-179.8-66.9-9.2000110.6A45 C90 S97 E98 E272A45-D94 HydrophobicContact CB-CB 4.18Å; C90-D94 WeakPolarHBondContact O-CB 3.42Å; C90-D94 VanDerWaalsContact O-CG 3.25Å; C90-D94 PolarHBondContact O-N 3.36Å; D94-S97 PolarHBondContact O-N 3.06Å; D94-E98 PolarHBondContact O-N 3.41Å; D94-E272 HydrophobicContact CB-CB 4.13Å; D94-E272 WeakPolarHBondContact O-CA 3.09Å; D94-E272 WeakPolarHBondContact O-CB 3.39Å
95Y90.7Very high86.5Confident1 Ų142.5 Ų42.50%0.00422%0.222CC..Hα-helixtrans-58.8-53172.5173.6-95.9000111.9K46 P74 N91 V92 S97 E98 V99 E122 E124 I130 L131K46-Y95 HydrophobicContact CB-CD2 4.08Å; P74-Y95 HydrophobicContact CB-CD1 3.88Å; P74-Y95 HydrophobicContact CB-CD2 4.25Å; P74-Y95 HydrophobicContact CB-CE1 4.27Å; P74-Y95 HydrophobicContact CB-CG 3.9Å; P74-Y95 HydrophobicContact CG-CD1 4.29Å; P74-Y95 HydrophobicContact CG-CE1 4.2Å; N91-Y95 VanDerWaalsContact O-CB 3.23Å; N91-Y95 WeakPolarHBondContact O-CB 3.08Å; N91-Y95 PolarHBondContact O-N 2.82Å; V92-Y95 PolarHBondContact O-N 3.15Å; Y95-S97 VanDerWaalsContact C-N 3.26Å; Y95-S97 PolarHBondContact O-N 3.25Å; Y95-E98 WeakPolarHBondContact O-CB 3.42Å; Y95-E98 PolarHBondContact O-N 3.29Å; Y95-V99 HydrophobicContact CD1-CG2 4.08Å; Y95-V99 HydrophobicContact CE1-CG2 3.49Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.49Å; Y95-V99 HydrophobicContact CE2-CG2 4.09Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.23Å; Y95-E122 PolarHBondContact OH-O 3.32Å; Y95-E124 HydrophobicContact CD1-CB 4.25Å; Y95-E124 HydrophobicContact CE1-CB 4.35Å; Y95-I130 WeakPolarHBondContact OH-CA 3.34Å; Y95-I130 PolarHBondContact OH-N 3.35Å; Y95-L131 PolarHBondContact OH-N 3.34Å
96N92Very high87.6Confident27 Ų2741 Ų4114%0.14421%0.21CC..Hα-helixtrans-60.5-36.8-179.3-75.6-5.6000112V92 K93 E98 V99 E100 T123 E124V92-N96 WeakPolarHBondContact O-CB 3.33Å; V92-N96 VanDerWaalsContact O-CG 3.27Å; V92-N96 PolarHBondContact O-N 3.18Å; K93-N96 PolarHBondContact O-N 3.17Å; N96-E98 VanDerWaalsContact C-N 3.29Å; N96-E98 PolarHBondContact O-N 3.01Å; N96-V99 PolarHBondContact O-N 3.07Å; N96-E100 WeakPolarHBondContact O-CB 3.38Å; N96-E100 WeakPolarHBondContact O-CG 3.43Å; N96-E100 PolarHBondContact O-N 3.41Å; N96-T123 HydrophobicContact CB-CG2 4.16Å; N96-T123 WeakPolarHBondContact OD1-CA 3.39Å; N96-T123 WeakPolarHBondContact OD1-CB 3.4Å; N96-E124 PolarHBondContact ND2-O 3.22Å; N96-E124 PolarHBondContact OD1-N 2.83Å
97S91.1Very high88.4Confident23 Ų2340.6 Ų40.616%0.16121%0.211CC..Hα-helixtrans-60.8-38.1175.8-165.30000112.3K93 D94 Y95 F101 E272 V274K93-S97 WeakPolarHBondContact O-CB 3.37Å; K93-S97 PolarHBondContact O-N 3.23Å; D94-S97 PolarHBondContact O-N 3.06Å; Y95-S97 VanDerWaalsContact C-N 3.26Å; Y95-S97 PolarHBondContact O-N 3.25Å; S97-F101 PolarHBondContact O-N 2.94Å; S97-E272 WeakPolarHBondContact CB-O 3.33Å; S97-V274 WeakPolarHBondContact OG-CG1 3.35Å
98E93.5Very high89.4Confident1 Ų139.8 Ų39.81%0.00520%0.2CC..Hα-helixtrans-71.9-39.4175.6-175.2164-17300112.1K46 D94 Y95 N96 F101 Y102 L131 N270 W271 E272K46-E98 IonicContact NZ-OE1 3.6Å; K46-E98 PolarHBondContact NZ-OE1 3.07Å; K46-E98 IonicContact NZ-OE2 3.89Å; K46-E98 PolarHBondContact NZ-OE2 3.08Å; D94-E98 PolarHBondContact O-N 3.41Å; Y95-E98 WeakPolarHBondContact O-CB 3.42Å; Y95-E98 PolarHBondContact O-N 3.29Å; N96-E98 VanDerWaalsContact C-N 3.29Å; N96-E98 PolarHBondContact O-N 3.01Å; E98-F101 WeakPolarHBondContact O-CB 3.45Å; E98-F101 PolarHBondContact O-N 2.83Å; E98-Y102 HydrophobicContact CG-CD2 3.81Å; E98-Y102 HydrophobicContact CG-CE2 3.76Å; E98-Y102 WeakPolarHBondContact O-CD2 3.27Å; E98-Y102 PolarHBondContact O-N 3.35Å; E98-L131 HydrophobicContact CG-CD2 3.92Å; E98-N270 VanDerWaalsContact OE1-CA 3.29Å; E98-N270 WeakPolarHBondContact OE1-CA 3.37Å; E98-N270 PolarHBondContact OE1-N 2.97Å; E98-W271 HydrophobicContact CG-CB 4.26Å; E98-W271 PolarHBondContact OE1-N 3.07Å; E98-E272 HydrophobicContact CB-CB 4.46Å
99V94.4Very high90Very high2 Ų240.6 Ų40.61%0.01221%0.214CC..Hα-helixtrans-60.2-48.2174.71780000110.9Y95 N96 F101 Y102 A103 A121 T123 L131Y95-V99 HydrophobicContact CD1-CG2 4.08Å; Y95-V99 HydrophobicContact CE1-CG2 3.49Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.49Å; Y95-V99 HydrophobicContact CE2-CG2 4.09Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.23Å; N96-V99 PolarHBondContact O-N 3.07Å; V99-F101 PolarHBondContact O-N 2.82Å; V99-Y102 PolarHBondContact O-N 2.76Å; V99-A103 WeakPolarHBondContact O-CB 3.47Å; V99-A103 PolarHBondContact O-N 3.21Å; V99-A121 HydrophobicContact CG1-CB 3.78Å; V99-T123 HydrophobicContact CB-CG2 4.12Å; V99-T123 HydrophobicContact CG1-CG2 3.89Å; V99-L131 HydrophobicContact CG2-CB 4.23Å
100E93.6Very high90.4Very high69 Ų6940 Ų4032%0.32221%0.211SC..Hα-helixtrans-60.1-36.1178.9-74.8172.9-175.800112.1N96 F104 T123 K179N96-E100 WeakPolarHBondContact O-CB 3.38Å; N96-E100 WeakPolarHBondContact O-CG 3.43Å; N96-E100 PolarHBondContact O-N 3.41Å; E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.26Å; E100-F104 PolarHBondContact O-N 2.83Å; E100-T123 HydrophobicContact CG-CG2 4.11Å; E100-K179 WeakPolarHBondContact O-CE 3.34Å; E100-K179 PolarHBondContact O-NZ 2.94Å
101F94.8Very high91Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-62.2-54.5172.8179-96.8000112S97 E98 V99 A103 F104 F105 F113 L115 F180 L241 W271 V274S97-F101 PolarHBondContact O-N 2.94Å; E98-F101 WeakPolarHBondContact O-CB 3.45Å; E98-F101 PolarHBondContact O-N 2.83Å; V99-F101 PolarHBondContact O-N 2.82Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 3.36Å; F101-F104 WeakPolarHBondContact O-CB 3.34Å; F101-F104 PolarHBondContact O-N 3.4Å; F101-F105 HydrophobicContact CD1-CD2 4.35Å; F101-F105 HydrophobicContact CD2-CD2 4.11Å; F101-F105 AromaticContact CD2-CE2 3.8Å; F101-F105 HydrophobicContact CD2-CE2 3.8Å; F101-F105 HydrophobicContact CE1-CD2 4.02Å; F101-F105 HydrophobicContact CE1-CE2 4.08Å; F101-F105 AromaticContact CE2-CD2 3.8Å; F101-F105 HydrophobicContact CE2-CD2 3.8Å; F101-F105 AromaticContact CE2-CE2 3.17Å; F101-F105 HydrophobicContact CE2-CE2 3.17Å; F101-F105 AromaticContact CE2-CZ 3.9Å; F101-F105 HydrophobicContact CE2-CZ 3.9Å; F101-F105 HydrophobicContact CG-CD2 4.39Å; F101-F105 HydrophobicContact CG-CE2 4.5Å; F101-F105 AromaticContact CZ-CD2 3.74Å; F101-F105 HydrophobicContact CZ-CD2 3.74Å; F101-F105 AromaticContact CZ-CE2 3.32Å; F101-F105 HydrophobicContact CZ-CE2 3.32Å; F101-F105 AromaticContact CZ-CZ 3.81Å; F101-F105 HydrophobicContact CZ-CZ 3.81Å; F101-F105 WeakPolarHBondContact O-CD2 3.46Å; F101-F105 PolarHBondContact O-N 3.47Å; F101-F113 HydrophobicContact CZ-CE1 4.48Å; F101-L115 HydrophobicContact CE1-CD1 3.64Å; F101-L115 HydrophobicContact CE1-CD2 3.78Å; F101-L115 HydrophobicContact CE1-CG 4.39Å; F101-L115 HydrophobicContact CZ-CD1 3.92Å; F101-L115 HydrophobicContact CZ-CD2 4.17Å; F101-F180 HydrophobicContact CB-CE1 4.32Å; F101-F180 HydrophobicContact CD2-CZ 4.49Å; F101-L241 HydrophobicContact CD2-CD2 3.97Å; F101-L241 HydrophobicContact CE2-CD2 3.74Å; F101-W271 HydrophobicContact CB-CB 4.24Å; F101-W271 HydrophobicContact CD1-CB 3.56Å; F101-W271 AromaticContact CD1-CD1 3.83Å; F101-W271 HydrophobicContact CD1-CD2 4.01Å; F101-W271 AromaticContact CD1-CG 3.51Å; F101-W271 HydrophobicContact CD1-CG 3.51Å; F101-W271 HydrophobicContact CD2-CB 4.36Å; F101-W271 HydrophobicContact CD2-CD2 4.18Å; F101-W271 AromaticContact CD2-CE3 3.94Å; F101-W271 HydrophobicContact CD2-CE3 3.94Å; F101-W271 HydrophobicContact CD2-CG 4.37Å; F101-W271 HydrophobicContact CE1-CB 3.95Å; F101-W271 AromaticContact CE1-CD1 3.39Å; F101-W271 AromaticContact CE1-CD2 3.48Å; F101-W271 HydrophobicContact CE1-CD2 3.48Å; F101-W271 VanDerWaalsContact CE1-CD2 3.48Å; F101-W271 AromaticContact CE1-CE2 3.71Å; F101-W271 HydrophobicContact CE1-CE3 4.15Å; F101-W271 AromaticContact CE1-CG 3.33Å; F101-W271 HydrophobicContact CE1-CG 3.33Å; F101-W271 AromaticContact CE1-NE1 3.61Å; F101-W271 AromaticContact CE2-CD2 3.63Å; F101-W271 HydrophobicContact CE2-CD2 3.63Å; F101-W271 AromaticContact CE2-CE3 3.38Å; F101-W271 HydrophobicContact CE2-CE3 3.38Å; F101-W271 HydrophobicContact CE2-CG 4.18Å; F101-W271 HydrophobicContact CE2-CH2 4.34Å; F101-W271 AromaticContact CE2-CZ3 3.75Å; F101-W271 HydrophobicContact CE2-CZ3 3.75Å; F101-W271 HydrophobicContact CG-CB 3.79Å; F101-W271 HydrophobicContact CG-CD2 4.33Å; F101-W271 HydrophobicContact CG-CE3 4.48Å; F101-W271 HydrophobicContact CG-CG 4.04Å; F101-W271 HydrophobicContact CZ-CB 4.47Å; F101-W271 AromaticContact CZ-CD1 3.98Å; F101-W271 AromaticContact CZ-CD2 3.26Å; F101-W271 HydrophobicContact CZ-CD2 3.26Å; F101-W271 AromaticContact CZ-CE2 3.45Å; F101-W271 VanDerWaalsContact CZ-CE2 3.45Å; F101-W271 AromaticContact CZ-CE3 3.52Å; F101-W271 HydrophobicContact CZ-CE3 3.52Å; F101-W271 AromaticContact CZ-CG 3.69Å; F101-W271 HydrophobicContact CZ-CG 3.69Å; F101-W271 HydrophobicContact CZ-CH2 4.12Å; F101-W271 AromaticContact CZ-CZ2 3.92Å; F101-W271 HydrophobicContact CZ-CZ2 3.92Å; F101-W271 AromaticContact CZ-CZ3 3.92Å; F101-W271 HydrophobicContact CZ-CZ3 3.92Å; F101-W271 AromaticContact CZ-NE1 3.84Å; F101-V274 HydrophobicContact CB-CG1 4.09Å; F101-V274 HydrophobicContact CD2-CB 4.35Å; F101-V274 HydrophobicContact CD2-CG1 4.34Å; F101-V274 HydrophobicContact CD2-CG2 3.82Å; F101-V274 HydrophobicContact CE2-CG2 4.23Å
102Y95.8Very high91.2Very high2 Ų241.5 Ų41.51%0.00823%0.228CC..Hα-helixtrans-66.5-36.5-178.9-82.7-73.8000112.6E98 V99 F104 F105 K106 L115 C118 L131 L133E98-Y102 HydrophobicContact CG-CD2 3.81Å; E98-Y102 HydrophobicContact CG-CE2 3.76Å; E98-Y102 WeakPolarHBondContact O-CD2 3.27Å; E98-Y102 PolarHBondContact O-N 3.35Å; V99-Y102 PolarHBondContact O-N 2.76Å; Y102-F104 VanDerWaalsContact C-N 3.33Å; Y102-F104 PolarHBondContact O-N 2.63Å; Y102-F105 PolarHBondContact O-N 3.11Å; Y102-K106 WeakPolarHBondContact O-CB 3.47Å; Y102-K106 PolarHBondContact O-N 3.13Å; Y102-L115 HydrophobicContact CE1-CB 4.41Å; Y102-L115 HydrophobicContact CE1-CD2 4.45Å; Y102-C118 HydrophobicContact CD1-CB 4.23Å; Y102-L131 HydrophobicContact CD2-CD1 4.08Å; Y102-L131 HydrophobicContact CD2-CD2 3.76Å; Y102-L131 HydrophobicContact CE2-CD2 4.2Å; Y102-L131 HydrophobicContact CG-CD1 4.1Å; Y102-L133 HydrophobicContact CD1-CD2 3.52Å; Y102-L133 HydrophobicContact CD2-CD1 4.37Å; Y102-L133 HydrophobicContact CD2-CD2 4.15Å; Y102-L133 HydrophobicContact CE1-CD1 4.07Å; Y102-L133 HydrophobicContact CE1-CD2 3.62Å; Y102-L133 HydrophobicContact CE2-CD1 3.77Å; Y102-L133 HydrophobicContact CE2-CD2 4.25Å; Y102-L133 HydrophobicContact CG-CD2 3.8Å
103A93.8Very high91.5Very high25 Ų2541 Ų4121%0.20722%0.224CC..Hα-helixtrans-60.6-43.6172.600000111.3V99 F101 F105 K106 D107 A121V99-A103 WeakPolarHBondContact O-CB 3.47Å; V99-A103 PolarHBondContact O-N 3.21Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 3.36Å; A103-F105 PolarHBondContact O-N 2.97Å; A103-K106 WeakPolarHBondContact O-CB 3.39Å; A103-K106 PolarHBondContact O-N 3.28Å; A103-D107 PolarHBondContact O-N 3.32Å; A103-A121 HydrophobicContact CB-CB 4.01Å
104F93.6Very high91.9Very high0 Ų038 Ų380%021%0.214CC..Hα-helixtrans-59.5-46.2175176.6-90.4000112.7E100 F101 Y102 K106 D107 H108 I111 W168 Y175 W176 K179 F180E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.26Å; E100-F104 PolarHBondContact O-N 2.83Å; F101-F104 WeakPolarHBondContact O-CB 3.34Å; F101-F104 PolarHBondContact O-N 3.4Å; Y102-F104 VanDerWaalsContact C-N 3.33Å; Y102-F104 PolarHBondContact O-N 2.63Å; F104-K106 VanDerWaalsContact C-N 3.31Å; F104-K106 PolarHBondContact O-N 3.11Å; F104-D107 PolarHBondContact O-N 3.12Å; F104-H108 PolarHBondContact O-CD2 3.28Å; F104-H108 VanDerWaalsContact O-CD2 3.25Å; F104-H108 PolarHBondContact O-N 2.94Å; F104-I111 HydrophobicContact CD1-CD1 4.48Å; F104-I111 HydrophobicContact CE1-CD1 3.75Å; F104-W168 AromaticContact CE1-CH2 3.98Å; F104-W168 HydrophobicContact CE1-CH2 3.98Å; F104-W168 AromaticContact CE1-CZ3 4Å; F104-W168 HydrophobicContact CE1-CZ3 4Å; F104-W168 AromaticContact CZ-CH2 3.47Å; F104-W168 HydrophobicContact CZ-CH2 3.47Å; F104-W168 VanDerWaalsContact CZ-CH2 3.47Å; F104-W168 AromaticContact CZ-CZ3 3.7Å; F104-W168 HydrophobicContact CZ-CZ3 3.7Å; F104-Y175 HydrophobicContact CD2-CD1 4.38Å; F104-Y175 AromaticContact CD2-CE1 3.75Å; F104-Y175 HydrophobicContact CD2-CE1 3.75Å; F104-Y175 AromaticContact CE2-CD1 3.43Å; F104-Y175 HydrophobicContact CE2-CD1 3.43Å; F104-Y175 VanDerWaalsContact CE2-CD1 3.43Å; F104-Y175 AromaticContact CE2-CE1 3.23Å; F104-Y175 HydrophobicContact CE2-CE1 3.23Å; F104-Y175 AromaticContact CZ-CD1 4Å; F104-Y175 HydrophobicContact CZ-CD1 4Å; F104-Y175 HydrophobicContact CZ-CE1 4.09Å; F104-W176 HydrophobicContact CE2-CB 3.84Å; F104-W176 HydrophobicContact CZ-CB 3.59Å; F104-K179 HydrophobicContact CB-CD 4.09Å; F104-K179 HydrophobicContact CD2-CD 3.67Å; F104-K179 HydrophobicContact CG-CD 4.31Å; F104-F180 HydrophobicContact CB-CE2 4.4Å; F104-F180 HydrophobicContact CB-CZ 4.03Å; F104-F180 HydrophobicContact CD1-CE2 4.32Å; F104-F180 HydrophobicContact CD2-CE2 4.02Å; F104-F180 HydrophobicContact CD2-CZ 4.47Å; F104-F180 HydrophobicContact CE2-CE2 4.23Å; F104-F180 HydrophobicContact CG-CE2 4.02Å; F104-F180 HydrophobicContact CG-CZ 4.12Å
105F93.4Very high92.4Very high20 Ų2037.5 Ų37.59%0.08821%0.211CC..Hα-helixtrans-70.6-27.6179.2-85.5-101000113.2F101 Y102 A103 D107 H108 I111 F113 L115 L165 L241F101-F105 HydrophobicContact CD1-CD2 4.35Å; F101-F105 HydrophobicContact CD2-CD2 4.11Å; F101-F105 AromaticContact CD2-CE2 3.8Å; F101-F105 HydrophobicContact CD2-CE2 3.8Å; F101-F105 HydrophobicContact CE1-CD2 4.02Å; F101-F105 HydrophobicContact CE1-CE2 4.08Å; F101-F105 AromaticContact CE2-CD2 3.8Å; F101-F105 HydrophobicContact CE2-CD2 3.8Å; F101-F105 AromaticContact CE2-CE2 3.17Å; F101-F105 HydrophobicContact CE2-CE2 3.17Å; F101-F105 AromaticContact CE2-CZ 3.9Å; F101-F105 HydrophobicContact CE2-CZ 3.9Å; F101-F105 HydrophobicContact CG-CD2 4.39Å; F101-F105 HydrophobicContact CG-CE2 4.5Å; F101-F105 AromaticContact CZ-CD2 3.74Å; F101-F105 HydrophobicContact CZ-CD2 3.74Å; F101-F105 AromaticContact CZ-CE2 3.32Å; F101-F105 HydrophobicContact CZ-CE2 3.32Å; F101-F105 AromaticContact CZ-CZ 3.81Å; F101-F105 HydrophobicContact CZ-CZ 3.81Å; F101-F105 WeakPolarHBondContact O-CD2 3.46Å; F101-F105 PolarHBondContact O-N 3.47Å; Y102-F105 PolarHBondContact O-N 3.11Å; A103-F105 PolarHBondContact O-N 2.97Å; F105-D107 VanDerWaalsContact C-N 3.3Å; F105-H108 CarbonylContact O-C 3.58Å; F105-H108 PolarHBondContact O-N 3.37Å; F105-I111 HydrophobicContact CD1-CB 4.15Å; F105-I111 HydrophobicContact CD1-CD1 4.19Å; F105-I111 HydrophobicContact CD1-CG2 4.23Å; F105-I111 HydrophobicContact CE1-CB 3.92Å; F105-I111 HydrophobicContact CE1-CD1 4.03Å; F105-I111 HydrophobicContact CE1-CG2 3.49Å; F105-I111 VanDerWaalsContact CE1-CG2 3.49Å; F105-I111 HydrophobicContact CZ-CD1 4.33Å; F105-I111 HydrophobicContact CZ-CG2 4.21Å; F105-F113 HydrophobicContact CE1-CB 3.98Å; F105-F113 AromaticContact CE1-CD1 3.96Å; F105-F113 HydrophobicContact CE1-CD1 3.96Å; F105-F113 HydrophobicContact CE1-CG 4.34Å; F105-F113 HydrophobicContact CZ-CD1 4.22Å; F105-L115 HydrophobicContact CB-CD1 3.9Å; F105-L115 HydrophobicContact CD1-CD1 3.33Å; F105-L115 HydrophobicContact CD2-CD1 3.98Å; F105-L115 HydrophobicContact CE1-CD1 3.71Å; F105-L115 HydrophobicContact CE2-CD1 4.37Å; F105-L115 HydrophobicContact CG-CD1 3.45Å; F105-L115 VanDerWaalsContact CG-CD1 3.45Å; F105-L115 HydrophobicContact CZ-CD1 4.21Å; F105-L165 HydrophobicContact CE1-CD1 4.32Å; F105-L165 HydrophobicContact CZ-CD1 3.63Å; F105-L241 HydrophobicContact CE2-CD2 4.23Å
106K91.9Very high92.6Very high85 Ų8537.8 Ų37.837%0.3721%0.213SC..Hα-helixtrans-61.7-39.7171.7-172.2176.4-178.3173.10111.4S19 Y102 A103 F104 H108 C118 Y119S19-K106 PolarHBondContact OG-NZ 2.91Å; S19-K106 VanDerWaalsContact OG-NZ 3.15Å; Y102-K106 WeakPolarHBondContact O-CB 3.47Å; Y102-K106 PolarHBondContact O-N 3.13Å; A103-K106 WeakPolarHBondContact O-CB 3.39Å; A103-K106 PolarHBondContact O-N 3.28Å; F104-K106 VanDerWaalsContact C-N 3.31Å; F104-K106 PolarHBondContact O-N 3.11Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.47Å; K106-C118 HydrophobicContact CB-CB 4.47Å; K106-Y119 PolarHBondContact NZ-O 3.3Å; K106-Y119 VanDerWaalsContact NZ-O 3.11Å
107D89.6Confident92.8Very high104 Ų10438.3 Ų38.356%0.55622%0.219SC*.Hα-helixtrans-77.8-12.3177.9-64-25.9000113.5A103 F104 F105 P109A103-D107 PolarHBondContact O-N 3.32Å; F104-D107 PolarHBondContact O-N 3.12Å; F105-D107 VanDerWaalsContact C-N 3.3Å; D107-P109 VanDerWaalsContact C-CD 3.45Å; D107-P109 WeakPolarHBondContact O-CD 3.48Å
108H90Very high93Very high29 Ų2937.7 Ų37.713%0.13421%0.214CC..  trans-128.561.4-175.6-71.1-77000113.1F104 F105 K106 E110 I111 Y175F104-H108 PolarHBondContact O-CD2 3.28Å; F104-H108 VanDerWaalsContact O-CD2 3.25Å; F104-H108 PolarHBondContact O-N 2.94Å; F105-H108 CarbonylContact O-C 3.58Å; F105-H108 PolarHBondContact O-N 3.37Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.47Å; H108-E110 VanDerWaalsContact CA-OE2 3.28Å; H108-E110 WeakPolarHBondContact CA-OE2 3.23Å; H108-E110 IonicContact CG-OE1 2.87Å; H108-E110 IonicContact ND1-OE1 2.62Å; H108-E110 PolarHBondContact ND1-OE1 3.37Å; H108-E110 PolarHBondContact O-N 3.2Å; H108-E110 VanDerWaalsContact O-N 3.1Å; H108-I111 HydrophobicContact CB-CD1 3.53Å; H108-I111 HydrophobicContact CB-CG1 3.9Å; H108-I111 WeakPolarHBondContact O-CG1 3.44Å; H108-I111 PolarHBondContact O-N 3.02Å; H108-I111 VanDerWaalsContact O-N 3.1Å; H108-Y175 AromaticContact CD2-CE1 3.65Å; H108-Y175 AromaticContact CE1-CE1 3.63Å; H108-Y175 AromaticContact CE1-CZ 3.93Å; H108-Y175 AromaticContact NE2-CD1 3.68Å; H108-Y175 AromaticContact NE2-CE1 2.87Å; H108-Y175 WeakPolarHBondContact NE2-CE1 3.33Å; H108-Y175 AromaticContact NE2-CZ 3.16Å; H108-Y175 PolarHBondContact NE2-OH 2.86Å
109P88.7Confident93.1Very high110 Ų11037.8 Ų37.871%0.71421%0.214SC*.THydrogen-bonded Turntrans-65.3-14.1-177.529.2-36.8000113.7D107 I111D107-P109 VanDerWaalsContact C-CD 3.45Å; D107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-I111 PolarHBondContact O-N 2.95Å
110E89.5Confident93.1Very high116 Ų11637.8 Ų37.854%0.54222%0.215SC..THydrogen-bonded Turntrans-69-16173.774.5-77.7-176.600113.7H108 A112H108-E110 VanDerWaalsContact CA-OE2 3.28Å; H108-E110 WeakPolarHBondContact CA-OE2 3.23Å; H108-E110 IonicContact CG-OE1 2.87Å; H108-E110 IonicContact ND1-OE1 2.62Å; H108-E110 PolarHBondContact ND1-OE1 3.37Å; H108-E110 PolarHBondContact O-N 3.2Å; H108-E110 VanDerWaalsContact O-N 3.1Å; E110-A112 PolarHBondContact O-N 2.78Å
111I90.9Very high93.1Very high12 Ų1235.9 Ų35.96%0.06221%0.21CC..SBendtrans-7499.2176.9-52.8173.6000108.7F104 F105 H108 P109 F113 L165 W168F104-I111 HydrophobicContact CD1-CD1 4.48Å; F104-I111 HydrophobicContact CE1-CD1 3.75Å; F105-I111 HydrophobicContact CD1-CB 4.15Å; F105-I111 HydrophobicContact CD1-CD1 4.19Å; F105-I111 HydrophobicContact CD1-CG2 4.23Å; F105-I111 HydrophobicContact CE1-CB 3.92Å; F105-I111 HydrophobicContact CE1-CD1 4.03Å; F105-I111 HydrophobicContact CE1-CG2 3.49Å; F105-I111 VanDerWaalsContact CE1-CG2 3.49Å; F105-I111 HydrophobicContact CZ-CD1 4.33Å; F105-I111 HydrophobicContact CZ-CG2 4.21Å; H108-I111 HydrophobicContact CB-CD1 3.53Å; H108-I111 HydrophobicContact CB-CG1 3.9Å; H108-I111 WeakPolarHBondContact O-CG1 3.44Å; H108-I111 PolarHBondContact O-N 3.02Å; H108-I111 VanDerWaalsContact O-N 3.1Å; P109-I111 PolarHBondContact O-N 2.95Å; I111-F113 VanDerWaalsContact C-N 3.29Å; I111-F113 HydrophobicContact CG2-CB 4.07Å; I111-F113 PolarHBondContact O-N 2.85Å; I111-L165 HydrophobicContact CG2-CD1 4.32Å; I111-W168 HydrophobicContact CD1-CD2 3.81Å; I111-W168 HydrophobicContact CD1-CE3 3.92Å; I111-W168 HydrophobicContact CD1-CH2 3.83Å; I111-W168 HydrophobicContact CD1-CZ2 3.65Å; I111-W168 HydrophobicContact CD1-CZ3 3.94Å; I111-W168 HydrophobicContact CG1-CD2 3.73Å; I111-W168 VanDerWaalsContact CG1-CE2 3.46Å; I111-W168 HydrophobicContact CG1-CE3 4.34Å; I111-W168 HydrophobicContact CG1-CG 4.01Å; I111-W168 HydrophobicContact CG1-CZ2 3.91Å; I111-W168 HydrophobicContact CG2-CD2 4.48Å; I111-W168 HydrophobicContact CG2-CG 4.28Å
112A87.3Confident93Very high78 Ų7838.4 Ų38.465%0.64522%0.222SC*.  trans-71.181.6176.100000111.6E110E110-A112 PolarHBondContact O-N 2.78Å
113F94Very high92.8Very high19 Ų1939.6 Ų39.68%0.08323%0.23CC..  trans-137.6133.8-179.4-173.4-112.9000110.9F101 F105 I111 L115 A161 L165 I268 W271F101-F113 HydrophobicContact CZ-CE1 4.48Å; F105-F113 HydrophobicContact CE1-CB 3.98Å; F105-F113 AromaticContact CE1-CD1 3.96Å; F105-F113 HydrophobicContact CE1-CD1 3.96Å; F105-F113 HydrophobicContact CE1-CG 4.34Å; F105-F113 HydrophobicContact CZ-CD1 4.22Å; I111-F113 VanDerWaalsContact C-N 3.29Å; I111-F113 HydrophobicContact CG2-CB 4.07Å; I111-F113 PolarHBondContact O-N 2.85Å; F113-L115 HydrophobicContact CD1-CD1 3.89Å; F113-L115 HydrophobicContact CD1-CD2 3.87Å; F113-L115 HydrophobicContact CD1-CG 3.59Å; F113-L115 HydrophobicContact CE1-CD1 4.46Å; F113-L115 HydrophobicContact CE1-CD2 3.73Å; F113-L115 HydrophobicContact CE1-CG 4.01Å; F113-L115 PolarHBondContact O-N 3.36Å; F113-A161 HydrophobicContact CD2-CB 4.43Å; F113-A161 WeakPolarHBondContact CD2-O 3.34Å; F113-A161 HydrophobicContact CE2-CB 4.14Å; F113-A161 WeakPolarHBondContact CE2-O 3.3Å; F113-L165 HydrophobicContact CD1-CD2 4.42Å; F113-L165 HydrophobicContact CD2-CB 3.6Å; F113-L165 HydrophobicContact CD2-CD2 4.36Å; F113-L165 HydrophobicContact CE1-CD2 4.07Å; F113-L165 HydrophobicContact CE2-CB 3.76Å; F113-L165 HydrophobicContact CE2-CD2 3.99Å; F113-L165 HydrophobicContact CG-CB 4.18Å; F113-L165 HydrophobicContact CZ-CB 4.45Å; F113-L165 HydrophobicContact CZ-CD2 3.83Å; F113-I268 HydrophobicContact CE2-CD1 4.15Å; F113-I268 HydrophobicContact CZ-CB 4.32Å; F113-I268 HydrophobicContact CZ-CD1 3.76Å; F113-I268 HydrophobicContact CZ-CG1 4.35Å; F113-W271 AromaticContact CE1-CH2 3.81Å; F113-W271 HydrophobicContact CE1-CH2 3.81Å; F113-W271 AromaticContact CE1-CZ2 3.31Å; F113-W271 HydrophobicContact CE1-CZ2 3.31Å; F113-W271 AromaticContact CZ-CH2 3.71Å; F113-W271 HydrophobicContact CZ-CH2 3.71Å; F113-W271 AromaticContact CZ-CZ2 3.44Å; F113-W271 HydrophobicContact CZ-CZ2 3.44Å; F113-W271 VanDerWaalsContact CZ-CZ2 3.44Å
114P95.9Very high92.3Very high33 Ų3340.5 Ų40.521%0.21423%0.23CC..  trans-71.399.6-174.328.1-34.4000111.3A161 L265 V266 A267 I268P114-A161 HydrophobicContact CG-CB 3.8Å; P114-L265 HydrophobicContact CG-CD2 3.65Å; P114-L265 HydrophobicContact CG-CG 4.13Å; P114-V266 VanDerWaalsContact CB-O 3.3Å; P114-V266 WeakPolarHBondContact CB-O 3.4Å; P114-A267 CarbonylContact O-C 3.53Å; P114-A267 WeakPolarHBondContact O-CA 3.41Å; P114-I268 PolarHBondContact O-N 3.11Å
115L95.8Very high91.5Very high31 Ų3144 Ų4416%0.16227%0.265CS..  trans-131.3151.3174.9-66.9176.8000109.9F101 Y102 F105 F113 I268F101-L115 HydrophobicContact CE1-CD1 3.64Å; F101-L115 HydrophobicContact CE1-CD2 3.78Å; F101-L115 HydrophobicContact CE1-CG 4.39Å; F101-L115 HydrophobicContact CZ-CD1 3.92Å; F101-L115 HydrophobicContact CZ-CD2 4.17Å; Y102-L115 HydrophobicContact CE1-CB 4.41Å; Y102-L115 HydrophobicContact CE1-CD2 4.45Å; F105-L115 HydrophobicContact CB-CD1 3.9Å; F105-L115 HydrophobicContact CD1-CD1 3.33Å; F105-L115 HydrophobicContact CD2-CD1 3.98Å; F105-L115 HydrophobicContact CE1-CD1 3.71Å; F105-L115 HydrophobicContact CE2-CD1 4.37Å; F105-L115 HydrophobicContact CG-CD1 3.45Å; F105-L115 VanDerWaalsContact CG-CD1 3.45Å; F105-L115 HydrophobicContact CZ-CD1 4.21Å; F113-L115 HydrophobicContact CD1-CD1 3.89Å; F113-L115 HydrophobicContact CD1-CD2 3.87Å; F113-L115 HydrophobicContact CD1-CG 3.59Å; F113-L115 HydrophobicContact CE1-CD1 4.46Å; F113-L115 HydrophobicContact CE1-CD2 3.73Å; F113-L115 HydrophobicContact CE1-CG 4.01Å; F113-L115 PolarHBondContact O-N 3.36Å; L115-I268 WeakPolarHBondContact CD2-O 3.11Å
116P95.9Very high89.8Confident8 Ų850.8 Ų50.85%0.05230%0.297CS..  trans-59.8143.9163.7-14.427.7000110.5C118 L133 E134 L136 A267 V269P116-C118 PolarHBondContact O-N 3.47Å; P116-L133 HydrophobicContact CB-CB 4.11Å; P116-E134 HydrophobicContact CB-CB 4.04Å; P116-L136 HydrophobicContact CB-CD1 3.99Å; P116-L136 HydrophobicContact CG-CD1 3.81Å; P116-A267 HydrophobicContact CG-CB 4.3Å; P116-V269 HydrophobicContact CG-CG1 3.78Å
117C95.2Very high88.7Confident38 Ų3853.2 Ų53.226%0.25731%0.31SS..  trans-58.9138.2171.2-1660000111Y119 L133 E134C117-Y119 HydrophobicContact CB-CE2 4.15Å; C117-L133 CarbonylContact O-C 3.35Å; C117-L133 VanDerWaalsContact O-CA 3.3Å; C117-L133 WeakPolarHBondContact O-CA 3.34Å; C117-E134 HydrophobicContact CB-CB 3.96Å; C117-E134 PolarHBondContact N-OE2 3.2Å; C117-E134 VanDerWaalsContact N-OE2 3.08Å; C117-E134 PolarHBondContact O-N 3.23Å
118C95.9Very high88.2Confident9 Ų953 Ų536%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-101.4115.1179.21790000110.9Y102 K106 P116 L133Y102-C118 HydrophobicContact CD1-CB 4.23Å; K106-C118 HydrophobicContact CB-CB 4.47Å; P116-C118 PolarHBondContact O-N 3.47Å; C118-L133 HydrophobicContact CB-CD2 4.08Å
119Y95.3Very high88.2Confident4 Ų451.7 Ų51.72%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-92.3-36.4179.6-62.7-78.6000111.9S19 I20 I23 H24 P66 L69 K106 C117 V132 E134S19-Y119 WeakPolarHBondContact CB-O 3.43Å; S19-Y119 PolarHBondContact OG-O 3.07Å; I20-Y119 HydrophobicContact CB-CD1 4.42Å; I20-Y119 HydrophobicContact CB-CE1 4.38Å; I20-Y119 HydrophobicContact CG1-CD1 3.47Å; I20-Y119 VanDerWaalsContact CG1-CD1 3.47Å; I20-Y119 HydrophobicContact CG1-CE1 3.63Å; I20-Y119 HydrophobicContact CG1-CG 4.29Å; I23-Y119 HydrophobicContact CD1-CD1 3.74Å; I23-Y119 HydrophobicContact CD1-CE1 3.99Å; H24-Y119 AromaticContact NE2-CE1 3.72Å; H24-Y119 AromaticContact NE2-CZ 3.8Å; H24-Y119 PolarHBondContact NE2-OH 3.05Å; P66-Y119 HydrophobicContact CG-CE1 4.46Å; L69-Y119 HydrophobicContact CD1-CD2 4.18Å; L69-Y119 HydrophobicContact CD1-CG 4.44Å; L69-Y119 HydrophobicContact CD2-CD2 3.48Å; L69-Y119 VanDerWaalsContact CD2-CD2 3.48Å; L69-Y119 HydrophobicContact CD2-CE2 3.24Å; L69-Y119 HydrophobicContact CD2-CG 4.38Å; L69-Y119 HydrophobicContact CG-CD2 4.48Å; K106-Y119 PolarHBondContact NZ-O 3.3Å; K106-Y119 VanDerWaalsContact NZ-O 3.11Å; C117-Y119 HydrophobicContact CB-CE2 4.15Å; Y119-V132 PolarHBondContact N-O 2.58Å; Y119-E134 HydrophobicContact CE2-CB 4.04Å
120A93.8Very high88.3Confident2 Ų246.5 Ų46.52%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-146.7143.1174.900000110.9K15 L131 V132K15-A120 HydrophobicContact CD-CB 4.32Å; A120-L131 CarbonylContact O-C 3.54Å; A120-L131 WeakPolarHBondContact O-CA 3.29Å; A120-V132 HydrophobicContact CB-CB 4.11Å; A120-V132 HydrophobicContact CB-CG2 4.01Å; A120-V132 PolarHBondContact N-O 3.08Å; A120-V132 PolarHBondContact O-N 3.5Å
121A94Very high88.6Confident28 Ų2841 Ų4123%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-148.6107.4178.200000109.3V99 A103 I130 L131V99-A121 HydrophobicContact CG1-CB 3.78Å; A103-A121 HydrophobicContact CB-CB 4.01Å; A121-I130 CarbonylContact C-O 3.56Å; A121-I130 WeakPolarHBondContact CA-O 3.4Å; A121-L131 HydrophobicContact CB-CD1 4.03Å
122E92.5Very high88.8Confident53 Ų5340.5 Ų40.525%0.24824%0.237CC..EExtended strand (participates in β ladder)trans-132.3128.7176.9-70.8176.2161.900110K15 Y95 G129 I130K15-E122 IonicContact NZ-OE1 3.2Å; K15-E122 PolarHBondContact NZ-OE1 3.22Å; K15-E122 IonicContact NZ-OE2 2.74Å; K15-E122 PolarHBondContact NZ-OE2 2.86Å; Y95-E122 PolarHBondContact OH-O 3.32Å; E122-G129 WeakPolarHBondContact O-CA 3.45Å; E122-I130 HydrophobicContact CB-CG2 3.85Å; E122-I130 HydrophobicContact CG-CG2 4.24Å; E122-I130 PolarHBondContact N-O 2.95Å; E122-I130 PolarHBondContact O-N 3.45Å; E122-I130 WeakPolarHBondContact OE2-CG2 3.33Å
123T90.9Very high89.2Confident28 Ų2837 Ų3717%0.17221%0.208CC..  trans-73.8147.918058.50000109.5N96 V99 E100 G125N96-T123 HydrophobicContact CB-CG2 4.16Å; N96-T123 WeakPolarHBondContact OD1-CA 3.39Å; N96-T123 WeakPolarHBondContact OD1-CB 3.4Å; V99-T123 HydrophobicContact CB-CG2 4.12Å; V99-T123 HydrophobicContact CG1-CG2 3.89Å; E100-T123 HydrophobicContact CG-CG2 4.11Å; T123-G125 PolarHBondContact O-N 3.26Å; T123-G125 VanDerWaalsContact O-N 3.11Å
124E84.7Confident89.3Confident44 Ų4439.5 Ų39.521%0.20622%0.22CC..BIsolated β-bridgetrans-68.5107.2165.8-17868.9-169.900107.8P74 L76 V92 Y95 N96 G129P74-E124 HydrophobicContact CB-CB 4.48Å; P74-E124 HydrophobicContact CG-CB 4.11Å; P74-E124 HydrophobicContact CG-CG 4.18Å; P74-E124 WeakPolarHBondContact CG-OE2 3.5Å; L76-E124 HydrophobicContact CD2-CG 4.21Å; V92-E124 HydrophobicContact CG1-CB 4.04Å; V92-E124 HydrophobicContact CG1-CG 4.02Å; V92-E124 HydrophobicContact CG2-CG 4.22Å; Y95-E124 HydrophobicContact CD1-CB 4.25Å; Y95-E124 HydrophobicContact CE1-CB 4.35Å; N96-E124 PolarHBondContact ND2-O 3.22Å; N96-E124 PolarHBondContact OD1-N 2.83Å; E124-G129 PolarHBondContact OE2-N 3.24Å
125G75.7Confident89.3Confident72 Ų7238.9 Ų38.974%0.74222%0.215SC*.THydrogen-bonded Turntrans152.6-34.5-177.300000113.8T123T123-G125 PolarHBondContact O-N 3.26Å; T123-G125 VanDerWaalsContact O-N 3.11Å
126E59Low89.2Confident163 Ų16338.7 Ų38.776%0.76221%0.214SC*.THydrogen-bonded Turntrans-89.9-44.4176.3-65.4-174.1159.700111.3
127E68.4Low89.1Confident137 Ų13740.7 Ų40.764%0.6423%0.228SC*.BIsolated β-bridgetrans-145.9-158.7170.2-65.4-166.7165.300108.4G129E127-G129 PolarHBondContact O-N 2.62Å
128H79.4Confident88.9Confident100 Ų10044 Ų4446%0.46324%0.243SC..SBendtrans-61.8122.4166.4-64.3-59.8000109.4T8 Y9 I130T8-H128 HydrophobicContact CG2-CB 4.21Å; T8-H128 PolarHBondContact O-CD2 2.87Å; T8-H128 VanDerWaalsContact O-CD2 3.27Å; Y9-H128 HydrophobicContact CD1-CB 4.03Å; Y9-H128 HydrophobicContact CE1-CB 3.39Å; H128-I130 PolarHBondContact O-N 3.22Å
129G88.7Confident88.7Confident0 Ų049.7 Ų49.70%027%0.269CS..  trans-61131.7179.400000111.3Y9 P74 E122 E124 E127Y9-G129 PolarHBondContact OH-O 2.96Å; P74-G129 VanDerWaalsContact CD-O 3.24Å; P74-G129 WeakPolarHBondContact CD-O 3.24Å; E122-G129 WeakPolarHBondContact O-CA 3.45Å; E124-G129 PolarHBondContact OE2-N 3.24Å; E127-G129 PolarHBondContact O-N 2.62Å
130I92.4Very high88.7Confident2 Ų249.7 Ų49.71%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-144.3136175.7-177.3154.8000112.6Y9 L12 L71 Y95 A121 E122 H128 V132Y9-I130 HydrophobicContact CD1-CB 4.15Å; Y9-I130 HydrophobicContact CD1-CD1 3.8Å; Y9-I130 HydrophobicContact CD1-CG2 4.46Å; Y9-I130 HydrophobicContact CD2-CD1 4.46Å; Y9-I130 HydrophobicContact CE1-CB 3.76Å; Y9-I130 HydrophobicContact CE1-CD1 4.07Å; Y9-I130 HydrophobicContact CE1-CG1 4.46Å; Y9-I130 HydrophobicContact CE1-CG2 4.36Å; Y9-I130 HydrophobicContact CG-CD1 4Å; L12-I130 HydrophobicContact CD1-CD1 3.49Å; L12-I130 VanDerWaalsContact CD1-CD1 3.49Å; L12-I130 HydrophobicContact CD2-CD1 4.01Å; L12-I130 HydrophobicContact CG-CD1 4.33Å; L71-I130 HydrophobicContact CD1-CD1 3.37Å; L71-I130 HydrophobicContact CD1-CG1 3.41Å; L71-I130 VanDerWaalsContact CD1-CG1 3.41Å; Y95-I130 WeakPolarHBondContact OH-CA 3.34Å; Y95-I130 PolarHBondContact OH-N 3.35Å; A121-I130 CarbonylContact C-O 3.56Å; A121-I130 WeakPolarHBondContact CA-O 3.4Å; E122-I130 HydrophobicContact CB-CG2 3.85Å; E122-I130 HydrophobicContact CG-CG2 4.24Å; E122-I130 PolarHBondContact N-O 2.95Å; E122-I130 PolarHBondContact O-N 3.45Å; E122-I130 WeakPolarHBondContact OE2-CG2 3.33Å; H128-I130 PolarHBondContact O-N 3.22Å; I130-V132 HydrophobicContact CD1-CG2 4.03Å; I130-V132 HydrophobicContact CG1-CG2 3.8Å
131L94.2Very high88.8Confident0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-130.2120.2172.1177.362000109Q72 Y95 E98 V99 Y102 A120 A121 L133Q72-L131 HydrophobicContact CB-CB 4.15Å; Q72-L131 PolarHBondContact N-O 3.32Å; Q72-L131 PolarHBondContact O-N 3.21Å; Y95-L131 PolarHBondContact OH-N 3.34Å; E98-L131 HydrophobicContact CG-CD2 3.92Å; V99-L131 HydrophobicContact CG2-CB 4.23Å; Y102-L131 HydrophobicContact CD2-CD1 4.08Å; Y102-L131 HydrophobicContact CD2-CD2 3.76Å; Y102-L131 HydrophobicContact CE2-CD2 4.2Å; Y102-L131 HydrophobicContact CG-CD1 4.1Å; A120-L131 CarbonylContact O-C 3.54Å; A120-L131 WeakPolarHBondContact O-CA 3.29Å; A121-L131 HydrophobicContact CB-CD1 4.03Å; L131-L133 HydrophobicContact CD1-CD2 3.82Å; L131-L133 HydrophobicContact CD1-CG 4.28Å; L131-L133 HydrophobicContact CD2-CD1 4.28Å; L131-L133 HydrophobicContact CG-CD1 4.35Å; L131-L133 HydrophobicContact CG-CD2 4.15Å; L131-L133 HydrophobicContact CG-CG 4.05Å
132V95.2Very high88.7Confident1 Ų151.5 Ų51.51%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-119.5119.3180-169.60000110.1L12 L16 L69 I70 L71 Y119 A120 I130L12-V132 HydrophobicContact CD1-CG2 4.22Å; L16-V132 HydrophobicContact CD2-CB 4.04Å; L16-V132 HydrophobicContact CD2-CG1 3.72Å; L16-V132 HydrophobicContact CD2-CG2 4.13Å; L69-V132 HydrophobicContact CB-CG1 3.87Å; L69-V132 HydrophobicContact CD1-CG1 3.66Å; L69-V132 HydrophobicContact CG-CG1 4.34Å; I70-V132 CarbonylContact O-C 3.56Å; I70-V132 WeakPolarHBondContact O-CA 3.37Å; L71-V132 HydrophobicContact CD1-CG2 3.82Å; Y119-V132 PolarHBondContact N-O 2.58Å; A120-V132 HydrophobicContact CB-CB 4.11Å; A120-V132 HydrophobicContact CB-CG2 4.01Å; A120-V132 PolarHBondContact N-O 3.08Å; A120-V132 PolarHBondContact O-N 3.5Å; I130-V132 HydrophobicContact CD1-CG2 4.03Å; I130-V132 HydrophobicContact CG1-CG2 3.8Å
133L96.5Very high88.5Confident5 Ų549.7 Ų49.73%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-120.1157.2-174-59.1179.7000111L69 I70 Y102 P116 C117 C118 L131L69-L133 WeakPolarHBondContact CA-O 3.44Å; I70-L133 HydrophobicContact CB-CB 4.41Å; I70-L133 PolarHBondContact N-O 3.02Å; I70-L133 PolarHBondContact O-N 2.58Å; Y102-L133 HydrophobicContact CD1-CD2 3.52Å; Y102-L133 HydrophobicContact CD2-CD1 4.37Å; Y102-L133 HydrophobicContact CD2-CD2 4.15Å; Y102-L133 HydrophobicContact CE1-CD1 4.07Å; Y102-L133 HydrophobicContact CE1-CD2 3.62Å; Y102-L133 HydrophobicContact CE2-CD1 3.77Å; Y102-L133 HydrophobicContact CE2-CD2 4.25Å; Y102-L133 HydrophobicContact CG-CD2 3.8Å; P116-L133 HydrophobicContact CB-CB 4.11Å; C117-L133 CarbonylContact O-C 3.35Å; C117-L133 VanDerWaalsContact O-CA 3.3Å; C117-L133 WeakPolarHBondContact O-CA 3.34Å; C118-L133 HydrophobicContact CB-CD2 4.08Å; L131-L133 HydrophobicContact CD1-CD2 3.82Å; L131-L133 HydrophobicContact CD1-CG 4.28Å; L131-L133 HydrophobicContact CD2-CD1 4.28Å; L131-L133 HydrophobicContact CG-CD1 4.35Å; L131-L133 HydrophobicContact CG-CD2 4.15Å; L131-L133 HydrophobicContact CG-CG 4.05Å
134E96.4Very high88Confident71 Ų7153.9 Ų53.933%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-56.1135.6167.6-175.9-177.9-171.100111.6P116 C117 Y119 L136P116-E134 HydrophobicContact CB-CB 4.04Å; C117-E134 HydrophobicContact CB-CB 3.96Å; C117-E134 PolarHBondContact N-OE2 3.2Å; C117-E134 VanDerWaalsContact N-OE2 3.08Å; C117-E134 PolarHBondContact O-N 3.23Å; Y119-E134 HydrophobicContact CE2-CB 4.04Å; E134-L136 VanDerWaalsContact CD-CD2 3.48Å; E134-L136 HydrophobicContact CG-CD2 3.91Å; E134-L136 HydrophobicContact CG-CG 4.32Å
135D95.4Very high88.1Confident21 Ų2154.3 Ų54.311%0.11229%0.291CS..  trans-85.3114.4169.4-166.7-37.7000110.4Q50 K68 I70 S137Q50-D135 PolarHBondContact NE2-OD2 3.04Å; K68-D135 HydrophobicContact CB-CB 3.81Å; K68-D135 WeakPolarHBondContact O-CB 3.45Å; I70-D135 HydrophobicContact CD1-CB 4.26Å; I70-D135 VanDerWaalsContact CD1-OD2 3.31Å; I70-D135 WeakPolarHBondContact CD1-OD2 3.39Å; I70-D135 HydrophobicContact CG1-CB 4.07Å; D135-S137 WeakPolarHBondContact OD1-CB 3.47Å; D135-S137 PolarHBondContact OD1-N 2.85Å; D135-S137 PolarHBondContact OD1-OG 3.48Å
136L95Very high88.5Confident26 Ų2651.3 Ų51.314%0.13626%0.258CS..  trans-98.47.2-177.9-63.3170.2000112.9P116 E134 D138 H139 G140 L252 V266 A267P116-L136 HydrophobicContact CB-CD1 3.99Å; P116-L136 HydrophobicContact CG-CD1 3.81Å; E134-L136 VanDerWaalsContact CD-CD2 3.48Å; E134-L136 HydrophobicContact CG-CD2 3.91Å; E134-L136 HydrophobicContact CG-CG 4.32Å; L136-D138 PolarHBondContact O-N 3.08Å; L136-H139 PolarHBondContact O-N 2.89Å; L136-G140 WeakPolarHBondContact O-CA 3.39Å; L136-G140 PolarHBondContact O-N 3.44Å; L136-L252 HydrophobicContact CB-CD2 3.38Å; L136-L252 HydrophobicContact CD1-CD2 3.86Å; L136-L252 HydrophobicContact CG-CD2 4.29Å; L136-V266 HydrophobicContact CD1-CG1 4.09Å; L136-V266 HydrophobicContact CD2-CG1 4.31Å; L136-A267 HydrophobicContact CD1-CB 3.54Å
137S91.8Very high89.9Confident51 Ų5143.8 Ų43.836%0.35722%0.223SC..THydrogen-bonded Turntrans-64.9-22.2-172.1620000114.3D135 K255D135-S137 WeakPolarHBondContact OD1-CB 3.47Å; D135-S137 PolarHBondContact OD1-N 2.85Å; D135-S137 PolarHBondContact OD1-OG 3.48Å; S137-K255 PolarHBondContact O-NZ 2.66Å
138D91.6Very high90.9Very high107 Ų10740 Ų4057%0.57222%0.216SC*.THydrogen-bonded Turntrans-67.7-37.8176.5-76.1-23.1000111.8L136 K255L136-D138 PolarHBondContact O-N 3.08Å; D138-K255 PolarHBondContact O-NZ 2.74Å
139H92.6Very high91.4Very high128 Ų12835.7 Ų35.759%0.59320%0.198SC*.THydrogen-bonded Turntrans-117-17.3-173-55.2-50.7000114.7L136 R254 K255L136-H139 PolarHBondContact O-N 2.89Å; H139-R254 WeakPolarHBondContact O-CA 3.41Å; H139-K255 WeakPolarHBondContact O-CB 3.44Å; H139-K255 PolarHBondContact O-N 2.83Å
140G95.4Very high91.7Very high4 Ų436.1 Ų36.14%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-109.8152.7179.700000112.4L136 F253L136-G140 WeakPolarHBondContact O-CA 3.39Å; L136-G140 PolarHBondContact O-N 3.44Å; G140-F253 CarbonylContact C-O 3.58Å; G140-F253 VanDerWaalsContact CA-O 3.26Å; G140-F253 WeakPolarHBondContact CA-O 3.32Å
141V94.7Very high91.8Very high25 Ų2538.7 Ų38.715%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-147.4143.917366.90000109.4L252 F253 K255 P261V141-L252 VanDerWaalsContact C-CD1 3.49Å; V141-F253 PolarHBondContact N-O 3.35Å; V141-F253 PolarHBondContact O-N 2.72Å; V141-K255 HydrophobicContact CG1-CB 4.26Å; V141-K255 HydrophobicContact CG1-CG 4.31Å; V141-P261 HydrophobicContact CG1-CB 3.86Å
142F92Very high91.9Very high44 Ų4441 Ų4119%0.19323%0.231CC..  trans-77.1167174.5-66.8-76000110.4D144 N249 L251 L252 V269F142-D144 PolarHBondContact O-N 3.49Å; F142-N249 VanDerWaalsContact CD1-O 3.27Å; F142-N249 WeakPolarHBondContact CD1-O 3.25Å; F142-N249 WeakPolarHBondContact CE1-O 3.21Å; F142-L251 WeakPolarHBondContact CD1-O 3.46Å; F142-L252 HydrophobicContact CD1-CD1 4Å; F142-L252 HydrophobicContact CD2-CD1 3.77Å; F142-L252 HydrophobicContact CE1-CB 4.21Å; F142-L252 HydrophobicContact CE1-CD1 3.92Å; F142-L252 HydrophobicContact CE2-CD1 3.69Å; F142-L252 HydrophobicContact CG-CD1 3.93Å; F142-L252 HydrophobicContact CZ-CD1 3.77Å; F142-V269 HydrophobicContact CE1-CG2 3.89Å; F142-V269 HydrophobicContact CZ-CG2 3.99Å
143I88.3Confident92Very high14 Ų1442 Ų427%0.07224%0.241CC..  trans-83.5104.2166.9-60.9170.1000107.4D145 M150 I248 F253 P261I143-D145 WeakPolarHBondContact CG2-O 3.19Å; I143-M150 HydrophobicContact CD1-CG 4.11Å; I143-I248 HydrophobicContact CB-CD1 3.93Å; I143-I248 HydrophobicContact CB-CG1 3.96Å; I143-I248 HydrophobicContact CD1-CD1 3.63Å; I143-I248 HydrophobicContact CD1-CG1 3.67Å; I143-I248 HydrophobicContact CG1-CD1 4.37Å; I143-I248 HydrophobicContact CG1-CG1 4.31Å; I143-I248 HydrophobicContact CG2-CD1 3.75Å; I143-I248 HydrophobicContact CG2-CG1 4.34Å; I143-F253 HydrophobicContact CD1-CD2 3.93Å; I143-F253 HydrophobicContact CD1-CE2 3.6Å; I143-F253 HydrophobicContact CD1-CZ 4.48Å; I143-F253 HydrophobicContact CG1-CD2 3.94Å; I143-F253 HydrophobicContact CG1-CE2 4.08Å; I143-P261 HydrophobicContact CG1-CB 4.17Å; I143-P261 HydrophobicContact CG1-CG 3.96Å
144D81.4Confident92.1Very high117 Ų11742.1 Ų42.163%0.62624%0.241SC*.SBendtrans-68.9-39.7-177.5-61.6-26.4000111.7F142 I146F142-D144 PolarHBondContact O-N 3.49Å; D144-I146 PolarHBondContact O-N 2.57Å
145D85.2Confident92.1Very high53 Ų5338.8 Ų38.828%0.28323%0.226SC..  trans-87.687175.5-170.6-1.7000111.8I143 S147 A148 K364I143-D145 WeakPolarHBondContact CG2-O 3.19Å; D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 VanDerWaalsContact O-N 3.15Å; D145-S147 VanDerWaalsContact OD1-CB 3.31Å; D145-S147 WeakPolarHBondContact OD1-CB 3.27Å; D145-S147 PolarHBondContact OD1-N 3.13Å; D145-S147 PolarHBondContact OD1-OG 2.98Å; D145-A148 HydrophobicContact CB-CB 4.36Å; D145-A148 PolarHBondContact O-N 3.01Å; D145-A148 PolarHBondContact OD1-N 3.21Å; D145-K364 WeakPolarHBondContact OD2-CE 3.43Å; D145-K364 IonicContact OD2-NZ 2.66Å
146I85.4Confident92.3Very high8 Ų840 Ų404%0.04123%0.232CC..THydrogen-bonded Turntrans-62.7-19.4177.966.8172.2000113.5D144 W247 I248 L355 M368 R371D144-I146 PolarHBondContact O-N 2.57Å; I146-W247 HydrophobicContact CD1-CZ2 4.2Å; I146-I248 HydrophobicContact CB-CG2 3.75Å; I146-I248 HydrophobicContact CG2-CG2 3.44Å; I146-I248 VanDerWaalsContact CG2-CG2 3.44Å; I146-L355 HydrophobicContact CD1-CD1 3.8Å; I146-L355 HydrophobicContact CD1-CD2 4.31Å; I146-L355 HydrophobicContact CD1-CG 3.98Å; I146-L355 HydrophobicContact CG1-CD1 4.32Å; I146-L355 HydrophobicContact CG1-CD2 3.92Å; I146-L355 HydrophobicContact CG1-CG 4.11Å; I146-M368 HydrophobicContact CD1-CE 4.16Å; I146-M368 HydrophobicContact CG1-CE 4.41Å; I146-M368 HydrophobicContact CG1-SD 4.22Å; I146-R371 PolarHBondContact O-NH1 3.29Å; I146-R371 PolarHBondContact O-NH2 3.37Å
147S87.9Confident92.4Very high5 Ų541.4 Ų41.44%0.03524%0.24CC..THydrogen-bonded Turntrans-76.6-28.6179.580.60000112.7D145 G149 K364 I367 R371D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 VanDerWaalsContact O-N 3.15Å; D145-S147 VanDerWaalsContact OD1-CB 3.31Å; D145-S147 WeakPolarHBondContact OD1-CB 3.27Å; D145-S147 PolarHBondContact OD1-N 3.13Å; D145-S147 PolarHBondContact OD1-OG 2.98Å; S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact O-N 3.48Å; S147-K364 WeakPolarHBondContact OG-CG 3.28Å; S147-I367 VanDerWaalsContact O-CG2 3.3Å; S147-I367 WeakPolarHBondContact O-CG2 3.29Å; S147-R371 VanDerWaalsContact C-NH2 3.3Å; S147-R371 PolarHBondContact O-NH2 3.01Å
148A88.8Confident92.7Very high59 Ų5939 Ų3949%0.48822%0.223SC..THydrogen-bonded Turntrans-66.6-31.517600000112.4D145D145-A148 HydrophobicContact CB-CB 4.36Å; D145-A148 PolarHBondContact O-N 3.01Å; D145-A148 PolarHBondContact OD1-N 3.21Å
149G90.8Very high93Very high9 Ų933.9 Ų33.99%0.09320%0.196CC..  trans70.7-174.9-17200000112.4S147 C290S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact O-N 3.48Å; G149-C290 CarbonylContact C-O 3.57Å; G149-C290 WeakPolarHBondContact CA-O 3.37Å
150M94.3Very high93.2Very high9 Ų928.4 Ų28.44%0.04417%0.172CC..  trans-82.4152.1-177.1-68.8172.670.300113.1I143 Q154 L155 V158 I248 L251 F253 L286 C290I143-M150 HydrophobicContact CD1-CG 4.11Å; M150-Q154 VanDerWaalsContact CA-OE1 3.27Å; M150-Q154 HydrophobicContact CB-CB 4.08Å; M150-Q154 HydrophobicContact CE-CB 3.57Å; M150-Q154 VanDerWaalsContact CE-O 3.25Å; M150-Q154 WeakPolarHBondContact CE-O 3.38Å; M150-Q154 HydrophobicContact CG-CB 4.4Å; M150-L155 HydrophobicContact CE-CB 4.43Å; M150-V158 HydrophobicContact CE-CB 4.1Å; M150-V158 HydrophobicContact CE-CG2 3.54Å; M150-I248 HydrophobicContact CG-CD1 4Å; M150-I248 HydrophobicContact CG-CG1 4.2Å; M150-L251 HydrophobicContact CE-CD1 4.09Å; M150-L251 HydrophobicContact SD-CD1 3.84Å; M150-F253 HydrophobicContact CE-CZ 3.89Å; M150-L286 HydrophobicContact CE-CD1 4.2Å; M150-L286 HydrophobicContact SD-CD1 3.67Å; M150-C290 HydrophobicContact CG-CB 3.98Å; M150-C290 WeakPolarHBondContact CG-O 3.4Å; M150-C290 PolarHBondContact N-O 3.39Å; M150-C290 HydrophobicContact SD-CB 3.34Å; M150-C290 WeakPolarHBondContact SD-CB 3.44Å
151T95.3Very high93.3Very high55 Ų5528.6 Ų28.634%0.33717%0.173SC..  trans-72.5163.7163.777.70000110.9G153 Q154 L155 D263 M295T151-G153 VanDerWaalsContact C-N 3.25Å; T151-G153 PolarHBondContact O-N 3.21Å; T151-G153 PolarHBondContact OG1-N 3.36Å; T151-Q154 PolarHBondContact O-N 3.23Å; T151-Q154 VanDerWaalsContact OG1-CG 3.3Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.36Å; T151-Q154 PolarHBondContact OG1-N 2.88Å; T151-Q154 VanDerWaalsContact OG1-N 3.08Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.15Å; T151-D263 PolarHBondContact OG1-OD1 3.26Å; T151-M295 VanDerWaalsContact C-CE 3.42Å; T151-M295 WeakPolarHBondContact O-CE 3.33Å
152T96.6Very high93.5Very high50 Ų5027.4 Ų27.431%0.30717%0.166SC..Hα-helixtrans-59.2-37.5173.1-52.30000112.1L155 L156 M295 Y299T152-L155 PolarHBondContact O-N 2.81Å; T152-L156 HydrophobicContact CG2-CD1 4.11Å; T152-L156 HydrophobicContact CG2-CG 4.45Å; T152-L156 VanDerWaalsContact O-CG 3.29Å; T152-L156 WeakPolarHBondContact O-CG 3.35Å; T152-L156 PolarHBondContact O-N 3.45Å; T152-L156 VanDerWaalsContact O-N 3.07Å; T152-M295 VanDerWaalsContact CA-CE 3.41Å; T152-M295 VanDerWaalsContact N-CE 3.34Å; T152-Y299 HydrophobicContact CG2-CD1 4.33Å; T152-Y299 HydrophobicContact CG2-CE1 3.74Å
153G97.3Very high93.7Very high22 Ų2225.3 Ų25.323%0.22716%0.157CC..Hα-helixtrans-64.7-48.3177.800000111.7T151 L155 L156 N157T151-G153 VanDerWaalsContact C-N 3.25Å; T151-G153 PolarHBondContact O-N 3.21Å; T151-G153 PolarHBondContact OG1-N 3.36Å; G153-L155 VanDerWaalsContact C-N 3.33Å; G153-L155 PolarHBondContact O-N 2.96Å; G153-L156 PolarHBondContact O-N 2.91Å; G153-N157 WeakPolarHBondContact O-CB 3.44Å; G153-N157 PolarHBondContact O-N 2.78Å; G153-N157 PolarHBondContact O-ND2 3.28Å
154Q97.5Very high94.1Very high6 Ų627.8 Ų27.83%0.02817%0.171CC..Hα-helixtrans-56.7-47174.4-68171.7-20.100111.2M150 T151 L156 N157 V158 F253 G262 D263M150-Q154 VanDerWaalsContact CA-OE1 3.27Å; M150-Q154 HydrophobicContact CB-CB 4.08Å; M150-Q154 HydrophobicContact CE-CB 3.57Å; M150-Q154 VanDerWaalsContact CE-O 3.25Å; M150-Q154 WeakPolarHBondContact CE-O 3.38Å; M150-Q154 HydrophobicContact CG-CB 4.4Å; T151-Q154 PolarHBondContact O-N 3.23Å; T151-Q154 VanDerWaalsContact OG1-CG 3.3Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.36Å; T151-Q154 PolarHBondContact OG1-N 2.88Å; T151-Q154 VanDerWaalsContact OG1-N 3.08Å; Q154-L156 PolarHBondContact O-N 2.78Å; Q154-N157 PolarHBondContact O-N 3.28Å; Q154-V158 WeakPolarHBondContact O-CG2 3.48Å; Q154-V158 PolarHBondContact O-N 3.48Å; Q154-F253 HydrophobicContact CB-CD1 4.38Å; Q154-F253 HydrophobicContact CB-CE1 3.66Å; Q154-F253 HydrophobicContact CB-CZ 3.84Å; Q154-F253 HydrophobicContact CG-CD1 3.82Å; Q154-F253 HydrophobicContact CG-CE1 3.61Å; Q154-F253 HydrophobicContact CG-CE2 4.49Å; Q154-F253 HydrophobicContact CG-CG 4.38Å; Q154-F253 HydrophobicContact CG-CZ 3.99Å; Q154-G262 WeakPolarHBondContact CG-O 3.35Å; Q154-G262 PolarHBondContact NE2-O 2.96Å; Q154-D263 HydrophobicContact CG-CB 4.45Å
155L97.7Very high94.8Very high1 Ų122.3 Ų22.31%0.00514%0.141CC..Hα-helixtrans-59.8-45.6-178176.460.3000111.5M150 T151 T152 G153 T159 L286 L287 T291 M295 V303M150-L155 HydrophobicContact CE-CB 4.43Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.15Å; T152-L155 PolarHBondContact O-N 2.81Å; G153-L155 VanDerWaalsContact C-N 3.33Å; G153-L155 PolarHBondContact O-N 2.96Å; L155-T159 WeakPolarHBondContact O-CB 3.31Å; L155-T159 PolarHBondContact O-N 2.96Å; L155-T159 PolarHBondContact O-OG1 3.42Å; L155-L286 HydrophobicContact CD1-CD1 4.26Å; L155-L286 HydrophobicContact CD1-CD2 3.69Å; L155-L286 HydrophobicContact CD1-CG 3.65Å; L155-L287 HydrophobicContact CD1-CD2 4.2Å; L155-L287 HydrophobicContact CD2-CD2 4.24Å; L155-T291 HydrophobicContact CD1-CG2 3.99Å; L155-T291 HydrophobicContact CD2-CG2 4.13Å; L155-M295 HydrophobicContact CB-CE 3.89Å; L155-M295 HydrophobicContact CD2-CE 3.55Å; L155-M295 HydrophobicContact CD2-SD 4.42Å; L155-M295 HydrophobicContact CG-CE 4.38Å; L155-V303 HydrophobicContact CD1-CG2 4.45Å; L155-V303 HydrophobicContact CD2-CG2 3.72Å; L155-V303 HydrophobicContact CG-CG2 3.96Å
156L98Very high95.3Very high46 Ų4619.8 Ų19.824%0.24113%0.128CC..Hα-helixtrans-69.8-38179.5-66.1176.1000112.1T152 G153 Q154 T159 A160 Y306T152-L156 HydrophobicContact CG2-CD1 4.11Å; T152-L156 HydrophobicContact CG2-CG 4.45Å; T152-L156 VanDerWaalsContact O-CG 3.29Å; T152-L156 WeakPolarHBondContact O-CG 3.35Å; T152-L156 PolarHBondContact O-N 3.45Å; T152-L156 VanDerWaalsContact O-N 3.07Å; G153-L156 PolarHBondContact O-N 2.91Å; Q154-L156 PolarHBondContact O-N 2.78Å; L156-T159 PolarHBondContact O-N 3.38Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.18Å; L156-Y306 HydrophobicContact CB-CE1 4.21Å; L156-Y306 HydrophobicContact CD2-CD1 3.82Å; L156-Y306 HydrophobicContact CD2-CE1 4.2Å; L156-Y306 HydrophobicContact CD2-CG 4Å; L156-Y306 WeakPolarHBondContact O-CE1 3.39Å
157N97.9Very high95.8Very high57 Ų5719.8 Ų19.831%0.30513%0.128SC..Hα-helixtrans-65.3-42.8176.8-83.1-42000112.2G153 Q154 A160 A161 D263 L265G153-N157 WeakPolarHBondContact O-CB 3.44Å; G153-N157 PolarHBondContact O-N 2.78Å; G153-N157 PolarHBondContact O-ND2 3.28Å; Q154-N157 PolarHBondContact O-N 3.28Å; N157-A160 PolarHBondContact O-N 3.2Å; N157-A161 PolarHBondContact O-N 2.94Å; N157-D263 PolarHBondContact ND2-O 3.47Å; N157-L265 HydrophobicContact CB-CB 4.38Å
158V97.8Very high96.2Very high0 Ų020.9 Ų20.90%013%0.132CC..Hα-helixtrans-64.7-42.8173.9178.30000111.2M150 Q154 A160 A161 L162 L246 L251 F253 L265 I268 L286M150-V158 HydrophobicContact CE-CB 4.1Å; M150-V158 HydrophobicContact CE-CG2 3.54Å; Q154-V158 WeakPolarHBondContact O-CG2 3.48Å; Q154-V158 PolarHBondContact O-N 3.48Å; V158-A160 VanDerWaalsContact C-N 3.28Å; V158-A160 PolarHBondContact O-N 3.32Å; V158-A161 PolarHBondContact O-N 3.28Å; V158-L162 HydrophobicContact CG1-CD1 4.17Å; V158-L162 HydrophobicContact CG1-CG 4.41Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 2.98Å; V158-L246 HydrophobicContact CG1-CD2 4.11Å; V158-L251 HydrophobicContact CG1-CD1 4.49Å; V158-L251 HydrophobicContact CG1-CD2 4.1Å; V158-L251 HydrophobicContact CG2-CD1 3.97Å; V158-L251 HydrophobicContact CG2-CD2 4.04Å; V158-F253 HydrophobicContact CG2-CE1 4.16Å; V158-F253 HydrophobicContact CG2-CZ 3.87Å; V158-L265 HydrophobicContact CG2-CD1 4.06Å; V158-L265 HydrophobicContact CG2-CD2 4.1Å; V158-I268 HydrophobicContact CG1-CD1 4.42Å; V158-L286 HydrophobicContact CB-CD1 4.26Å; V158-L286 HydrophobicContact CB-CD2 4.21Å; V158-L286 HydrophobicContact CG1-CD1 3.74Å; V158-L286 HydrophobicContact CG1-CD2 3.85Å; V158-L286 HydrophobicContact CG1-CG 4.45Å
159T98.1Very high96.5Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-58.1-41.3175.6-58.40000111.7L155 L156 A163 I283 V303 Y306 Y307L155-T159 WeakPolarHBondContact O-CB 3.31Å; L155-T159 PolarHBondContact O-N 2.96Å; L155-T159 PolarHBondContact O-OG1 3.42Å; L156-T159 PolarHBondContact O-N 3.38Å; T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 2.68Å; T159-I283 HydrophobicContact CG2-CD1 4.27Å; T159-V303 HydrophobicContact CG2-CG1 3.99Å; T159-Y306 HydrophobicContact CG2-CD1 3.82Å; T159-Y306 HydrophobicContact CG2-CE1 4.36Å; T159-Y307 HydrophobicContact CG2-CD2 3.94Å; T159-Y307 HydrophobicContact CG2-CG 4.23Å
160A97.9Very high96.7Very high12 Ų1218.6 Ų18.610%0.09911%0.109CC..Hα-helixtrans-66.8-41.5177.400000112.3L156 N157 V158 A163 N164 Y306 K310L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.18Å; N157-A160 PolarHBondContact O-N 3.2Å; V158-A160 VanDerWaalsContact C-N 3.28Å; V158-A160 PolarHBondContact O-N 3.32Å; A160-A163 PolarHBondContact O-N 2.86Å; A160-N164 VanDerWaalsContact O-CG 3.32Å; A160-N164 PolarHBondContact O-N 3.42Å; A160-N164 PolarHBondContact O-OD1 3.04Å; A160-Y306 HydrophobicContact CB-CE1 4.06Å; A160-K310 HydrophobicContact CB-CD 4.34Å; A160-K310 HydrophobicContact CB-CG 4.26Å
161A97.6Very high96.6Very high8 Ų822.4 Ų22.47%0.06613%0.125CC..Hα-helixtrans-62.4-46.2176.600000111.9F113 P114 N157 V158 A163 N164 L165 L265F113-A161 HydrophobicContact CD2-CB 4.43Å; F113-A161 WeakPolarHBondContact CD2-O 3.34Å; F113-A161 HydrophobicContact CE2-CB 4.14Å; F113-A161 WeakPolarHBondContact CE2-O 3.3Å; P114-A161 HydrophobicContact CG-CB 3.8Å; N157-A161 PolarHBondContact O-N 2.94Å; V158-A161 PolarHBondContact O-N 3.28Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.3Å; A161-N164 WeakPolarHBondContact O-CB 3.38Å; A161-N164 PolarHBondContact O-N 2.88Å; A161-L165 PolarHBondContact O-N 3.49Å; A161-L165 VanDerWaalsContact O-N 3.12Å; A161-L265 HydrophobicContact CB-CD2 3.57Å
162L97.4Very high96.4Very high0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-59.8-43.9174.6-67.7172000111.5V158 N164 L165 H166 L246 I268 D282 I283 L286 Y307V158-L162 HydrophobicContact CG1-CD1 4.17Å; V158-L162 HydrophobicContact CG1-CG 4.41Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 2.98Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 3.25Å; L162-H166 VanDerWaalsContact O-CB 3.31Å; L162-H166 WeakPolarHBondContact O-CB 3.34Å; L162-H166 PolarHBondContact O-N 2.97Å; L162-H166 PolarHBondContact O-ND1 3.45Å; L162-L246 HydrophobicContact CD1-CD2 3.86Å; L162-I268 HydrophobicContact CD2-CD1 4.41Å; L162-D282 HydrophobicContact CD1-CB 4.02Å; L162-D282 HydrophobicContact CD2-CB 4.1Å; L162-I283 HydrophobicContact CD1-CD1 4.1Å; L162-L286 HydrophobicContact CD1-CD2 4.21Å; L162-Y307 HydrophobicContact CB-CE2 4.49Å
163A97.4Very high95.4Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-61.4-38176.800000112.5T159 A160 A161 S167 Y307 K310 L311T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 2.68Å; A160-A163 PolarHBondContact O-N 2.86Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.3Å; A163-S167 WeakPolarHBondContact O-CB 3.5Å; A163-S167 PolarHBondContact O-N 3.4Å; A163-S167 PolarHBondContact O-OG 3.12Å; A163-Y307 HydrophobicContact CB-CD2 3.68Å; A163-Y307 HydrophobicContact CB-CE2 3.75Å; A163-K310 HydrophobicContact CB-CB 3.32Å; A163-K310 HydrophobicContact CB-CG 4.41Å; A163-L311 HydrophobicContact CB-CD2 4.37Å; A163-L311 HydrophobicContact CB-CG 4.28Å; A163-L311 WeakPolarHBondContact O-CD2 3.48Å
164N96Very high94.2Very high67 Ų6726.6 Ų26.636%0.35815%0.151SC..Hα-helixtrans-63-50.5176.4-71.2-7.2000111.1A160 A161 L162 H166 S167 W168A160-N164 VanDerWaalsContact O-CG 3.32Å; A160-N164 PolarHBondContact O-N 3.42Å; A160-N164 PolarHBondContact O-OD1 3.04Å; A161-N164 WeakPolarHBondContact O-CB 3.38Å; A161-N164 PolarHBondContact O-N 2.88Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 3.14Å; N164-H166 PolarHBondContact O-N 3.35Å; N164-S167 PolarHBondContact O-N 3.07Å; N164-S167 PolarHBondContact O-OG 3.49Å; N164-W168 PolarHBondContact O-N 3.04Å; N164-W168 VanDerWaalsContact O-N 3.1Å
165L96.1Very high93.4Very high1 Ų131.6 Ų31.61%0.00517%0.17CC..Hα-helixtrans-56.5-52175.6173.255.2000111.6F105 I111 F113 A161 L162 S167 W168 C169 W271F105-L165 HydrophobicContact CE1-CD1 4.32Å; F105-L165 HydrophobicContact CZ-CD1 3.63Å; I111-L165 HydrophobicContact CG2-CD1 4.32Å; F113-L165 HydrophobicContact CD1-CD2 4.42Å; F113-L165 HydrophobicContact CD2-CB 3.6Å; F113-L165 HydrophobicContact CD2-CD2 4.36Å; F113-L165 HydrophobicContact CE1-CD2 4.07Å; F113-L165 HydrophobicContact CE2-CB 3.76Å; F113-L165 HydrophobicContact CE2-CD2 3.99Å; F113-L165 HydrophobicContact CG-CB 4.18Å; F113-L165 HydrophobicContact CZ-CB 4.45Å; F113-L165 HydrophobicContact CZ-CD2 3.83Å; A161-L165 PolarHBondContact O-N 3.49Å; A161-L165 VanDerWaalsContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.25Å; L165-S167 VanDerWaalsContact C-N 3.3Å; L165-S167 PolarHBondContact O-N 3.1Å; L165-W168 WeakPolarHBondContact O-CB 3.49Å; L165-W168 PolarHBondContact O-N 3.1Å; L165-W168 VanDerWaalsContact O-N 3.09Å; L165-C169 PolarHBondContact O-N 2.76Å; L165-W271 HydrophobicContact CD2-CH2 3.88Å; L165-W271 HydrophobicContact CD2-CZ3 4.34Å
166H96.4Very high93.1Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-64.3-36.6-177.6-64.1165.6000111.8L162 N164 W168 C169 L170 V240 L241 L279 D282 Y307 L311L162-H166 VanDerWaalsContact O-CB 3.31Å; L162-H166 WeakPolarHBondContact O-CB 3.34Å; L162-H166 PolarHBondContact O-N 2.97Å; L162-H166 PolarHBondContact O-ND1 3.45Å; N164-H166 PolarHBondContact O-N 3.35Å; H166-W168 VanDerWaalsContact C-N 3.31Å; H166-W168 PolarHBondContact O-N 3.04Å; H166-C169 WeakPolarHBondContact O-CB 3.48Å; H166-C169 PolarHBondContact O-N 3.22Å; H166-L170 VanDerWaalsContact O-CG 3.26Å; H166-L170 WeakPolarHBondContact O-CG 3.45Å; H166-L170 PolarHBondContact O-N 3.03Å; H166-V240 HydrophobicContact CB-CB 4.31Å; H166-V240 HydrophobicContact CB-CG1 4.11Å; H166-V240 HydrophobicContact CB-CG2 4.2Å; H166-V240 VanDerWaalsContact CD2-CG2 3.43Å; H166-V240 WeakPolarHBondContact CD2-CG2 3.32Å; H166-L241 PolarHBondContact CD2-O 3.22Å; H166-L241 VanDerWaalsContact CD2-O 3.25Å; H166-L241 PolarHBondContact NE2-O 3.43Å; H166-L241 VanDerWaalsContact NE2-O 3.14Å; H166-L279 HydrophobicContact CB-CD2 3.85Å; H166-D282 IonicContact CE1-OD2 3.73Å; H166-D282 IonicContact NE2-OD2 3.24Å; H166-Y307 AromaticContact ND1-CE2 3.87Å; H166-Y307 AromaticContact ND1-CZ 3.67Å; H166-Y307 PolarHBondContact ND1-OH 3.3Å; H166-L311 HydrophobicContact CB-CD2 3.79Å
167S95.8Very high92.7Very high8 Ų832.1 Ų32.16%0.05617%0.171CC..Hα-helixtrans-62-38.917474.80000112.1A163 N164 L165 L170 K171 G314A163-S167 WeakPolarHBondContact O-CB 3.5Å; A163-S167 PolarHBondContact O-N 3.4Å; A163-S167 PolarHBondContact O-OG 3.12Å; N164-S167 PolarHBondContact O-N 3.07Å; N164-S167 PolarHBondContact O-OG 3.49Å; L165-S167 VanDerWaalsContact C-N 3.3Å; L165-S167 PolarHBondContact O-N 3.1Å; S167-L170 PolarHBondContact O-N 3.48Å; S167-K171 WeakPolarHBondContact O-CG 3.48Å; S167-K171 PolarHBondContact O-N 3.24Å; S167-G314 WeakPolarHBondContact OG-CA 3.42Å
168W95Very high92.1Very high29 Ų2937.9 Ų37.911%0.1120%0.197CC..Hα-helixtrans-64.6-44.2173.8-178.795.2000111.5F104 I111 N164 L165 H166 L170 K171 N172 W176F104-W168 AromaticContact CE1-CH2 3.98Å; F104-W168 HydrophobicContact CE1-CH2 3.98Å; F104-W168 AromaticContact CE1-CZ3 4Å; F104-W168 HydrophobicContact CE1-CZ3 4Å; F104-W168 AromaticContact CZ-CH2 3.47Å; F104-W168 HydrophobicContact CZ-CH2 3.47Å; F104-W168 VanDerWaalsContact CZ-CH2 3.47Å; F104-W168 AromaticContact CZ-CZ3 3.7Å; F104-W168 HydrophobicContact CZ-CZ3 3.7Å; I111-W168 HydrophobicContact CD1-CD2 3.81Å; I111-W168 HydrophobicContact CD1-CE3 3.92Å; I111-W168 HydrophobicContact CD1-CH2 3.83Å; I111-W168 HydrophobicContact CD1-CZ2 3.65Å; I111-W168 HydrophobicContact CD1-CZ3 3.94Å; I111-W168 HydrophobicContact CG1-CD2 3.73Å; I111-W168 VanDerWaalsContact CG1-CE2 3.46Å; I111-W168 HydrophobicContact CG1-CE3 4.34Å; I111-W168 HydrophobicContact CG1-CG 4.01Å; I111-W168 HydrophobicContact CG1-CZ2 3.91Å; I111-W168 HydrophobicContact CG2-CD2 4.48Å; I111-W168 HydrophobicContact CG2-CG 4.28Å; N164-W168 PolarHBondContact O-N 3.04Å; N164-W168 VanDerWaalsContact O-N 3.1Å; L165-W168 WeakPolarHBondContact O-CB 3.49Å; L165-W168 PolarHBondContact O-N 3.1Å; L165-W168 VanDerWaalsContact O-N 3.09Å; H166-W168 VanDerWaalsContact C-N 3.31Å; H166-W168 PolarHBondContact O-N 3.04Å; W168-L170 VanDerWaalsContact C-N 3.29Å; W168-L170 PolarHBondContact O-N 3.25Å; W168-K171 PolarHBondContact O-N 3.24Å; W168-N172 HydrophobicContact CD2-CB 4.39Å; W168-N172 HydrophobicContact CH2-CB 4.06Å; W168-N172 HydrophobicContact CZ2-CB 3.95Å; W168-N172 HydrophobicContact CZ3-CB 4.37Å; W168-N172 PolarHBondContact NE1-ND2 2.95Å; W168-N172 WeakPolarHBondContact O-CB 3.38Å; W168-N172 PolarHBondContact O-N 3.26Å; W168-N172 PolarHBondContact O-ND2 3.19Å; W168-W176 HydrophobicContact CZ3-CB 4.18Å; W168-W176 AromaticContact CZ3-CD1 3.85Å; W168-W176 HydrophobicContact CZ3-CG 4.23Å
169C95.2Very high91.5Very high1 Ų141.1 Ų41.11%0.00721%0.211CC..Hα-helixtrans-58.4-40.5176.2-69.10000112.4L165 H166 N172 S173 W176 V240L165-C169 PolarHBondContact O-N 2.76Å; H166-C169 WeakPolarHBondContact O-CB 3.48Å; H166-C169 PolarHBondContact O-N 3.22Å; C169-N172 CarbonylContact O-C 3.59Å; C169-N172 PolarHBondContact O-N 3.44Å; C169-S173 PolarHBondContact O-N 2.92Å; C169-W176 HydrophobicContact CB-CZ2 3.99Å; C169-W176 PolarHBondContact O-NE1 2.93Å; C169-V240 HydrophobicContact CB-CB 3.84Å; C169-V240 HydrophobicContact CB-CG1 3.7Å
170L94.8Very high91.1Very high18 Ų1841.4 Ų41.49%0.09421%0.212CC..Hα-helixtrans-65.6-37.8178.7-68.8174.9000112.3H166 S167 W168 P238 V240 L279 L311 V315 V319 L321H166-L170 VanDerWaalsContact O-CG 3.26Å; H166-L170 WeakPolarHBondContact O-CG 3.45Å; H166-L170 PolarHBondContact O-N 3.03Å; S167-L170 PolarHBondContact O-N 3.48Å; W168-L170 VanDerWaalsContact C-N 3.29Å; W168-L170 PolarHBondContact O-N 3.25Å; L170-P238 HydrophobicContact CD2-CB 3.52Å; L170-P238 HydrophobicContact CD2-CG 3.44Å; L170-P238 VanDerWaalsContact CD2-CG 3.44Å; L170-V240 HydrophobicContact CD2-CG1 3.88Å; L170-V240 HydrophobicContact CG-CG1 3.98Å; L170-L279 HydrophobicContact CD1-CD2 4.33Å; L170-L311 HydrophobicContact CD1-CD2 4.31Å; L170-V315 HydrophobicContact CB-CG1 4.23Å; L170-V315 HydrophobicContact CD1-CG1 4.18Å; L170-V319 HydrophobicContact CB-CG1 4.33Å; L170-V319 HydrophobicContact CB-CG2 4.22Å; L170-L321 HydrophobicContact CD1-CD2 3.64Å
171K93.1Very high90.4Very high89 Ų8947.1 Ų47.139%0.38724%0.241SC..Hα-helixtrans-73.5-30.9176.9-66.5-17875.2136.90113.1S167 W168 G314 V315 D318S167-K171 WeakPolarHBondContact O-CG 3.48Å; S167-K171 PolarHBondContact O-N 3.24Å; W168-K171 PolarHBondContact O-N 3.24Å; K171-G314 WeakPolarHBondContact CD-O 3.39Å; K171-V315 HydrophobicContact CG-CG1 4.44Å; K171-D318 WeakPolarHBondContact CE-OD2 3.34Å; K171-D318 IonicContact NZ-OD2 3.42Å; K171-D318 PolarHBondContact NZ-OD2 3.05Å
172N90.8Very high89.6Confident63 Ų6349 Ų4934%0.33725%0.254SS..THydrogen-bonded Turntrans-116.139.7-170-60.9-76.2000112.9W168 C169 S174 Y175W168-N172 HydrophobicContact CD2-CB 4.39Å; W168-N172 HydrophobicContact CH2-CB 4.06Å; W168-N172 HydrophobicContact CZ2-CB 3.95Å; W168-N172 HydrophobicContact CZ3-CB 4.37Å; W168-N172 PolarHBondContact NE1-ND2 2.95Å; W168-N172 WeakPolarHBondContact O-CB 3.38Å; W168-N172 PolarHBondContact O-N 3.26Å; W168-N172 PolarHBondContact O-ND2 3.19Å; C169-N172 CarbonylContact O-C 3.59Å; C169-N172 PolarHBondContact O-N 3.44Å; N172-S174 VanDerWaalsContact C-N 3.27Å; N172-S174 PolarHBondContact O-N 2.67Å; N172-Y175 PolarHBondContact O-N 3.12Å
173S74.9Confident88.4Confident62 Ų6249.8 Ų49.843%0.43426%0.259SS..Hα-helixtrans-54.6-30.4-166.655.20000116.1C169 Q177C169-S173 PolarHBondContact O-N 2.92Å; S173-Q177 WeakPolarHBondContact O-CG 3.46Å; S173-Q177 PolarHBondContact O-OE1 3.1Å
174S74.1Confident87.4Confident91 Ų9152.6 Ų52.664%0.63627%0.271SS*.Hα-helixtrans-77.4-30.1-174.457.30000114.7N172N172-S174 VanDerWaalsContact C-N 3.27Å; N172-S174 PolarHBondContact O-N 2.67Å
175Y80.5Confident86.3Confident111 Ų11151.8 Ų51.844%0.43527%0.274SS..Hα-helixtrans-82.7-46.9-166.1-178.7-96.4000113F104 H108 N172F104-Y175 HydrophobicContact CD2-CD1 4.38Å; F104-Y175 AromaticContact CD2-CE1 3.75Å; F104-Y175 HydrophobicContact CD2-CE1 3.75Å; F104-Y175 AromaticContact CE2-CD1 3.43Å; F104-Y175 HydrophobicContact CE2-CD1 3.43Å; F104-Y175 VanDerWaalsContact CE2-CD1 3.43Å; F104-Y175 AromaticContact CE2-CE1 3.23Å; F104-Y175 HydrophobicContact CE2-CE1 3.23Å; F104-Y175 AromaticContact CZ-CD1 4Å; F104-Y175 HydrophobicContact CZ-CD1 4Å; F104-Y175 HydrophobicContact CZ-CE1 4.09Å; H108-Y175 AromaticContact CD2-CE1 3.65Å; H108-Y175 AromaticContact CE1-CE1 3.63Å; H108-Y175 AromaticContact CE1-CZ 3.93Å; H108-Y175 AromaticContact NE2-CD1 3.68Å; H108-Y175 AromaticContact NE2-CE1 2.87Å; H108-Y175 WeakPolarHBondContact NE2-CE1 3.33Å; H108-Y175 AromaticContact NE2-CZ 3.16Å; H108-Y175 PolarHBondContact NE2-OH 2.86Å; N172-Y175 PolarHBondContact O-N 3.12Å
176W90.5Very high85.4Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-80.8-27.3-173.966.3-94.1000113.1F104 W168 C169 E178 K179 F180 V240 L241 R276F104-W176 HydrophobicContact CE2-CB 3.84Å; F104-W176 HydrophobicContact CZ-CB 3.59Å; W168-W176 HydrophobicContact CZ3-CB 4.18Å; W168-W176 AromaticContact CZ3-CD1 3.85Å; W168-W176 HydrophobicContact CZ3-CG 4.23Å; C169-W176 HydrophobicContact CB-CZ2 3.99Å; C169-W176 PolarHBondContact O-NE1 2.93Å; W176-E178 VanDerWaalsContact C-N 3.25Å; W176-E178 PolarHBondContact O-N 3.1Å; W176-K179 PolarHBondContact O-N 3.14Å; W176-K179 VanDerWaalsContact O-N 3.14Å; W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.5Å; W176-V240 VanDerWaalsContact CZ3-C 3.47Å; W176-L241 HydrophobicContact CE3-CB 4.13Å; W176-L241 HydrophobicContact CE3-CD1 4.24Å; W176-L241 HydrophobicContact CZ3-CB 4.22Å; W176-R276 HydrophobicContact CE3-CG 4.45Å; W176-R276 HydrophobicContact CH2-CG 4.22Å; W176-R276 HydrophobicContact CZ3-CB 4.39Å; W176-R276 HydrophobicContact CZ3-CG 3.6Å
177Q88.7Confident84.6Confident58 Ų5853.2 Ų53.227%0.27129%0.288SS..THydrogen-bonded Turntrans-66.3-25.8-176.4-72.2-179.5-400113.7S173S173-Q177 WeakPolarHBondContact O-CG 3.46Å; S173-Q177 PolarHBondContact O-OE1 3.1Å
178E85.5Confident83.7Confident178 Ų17855.3 Ų55.383%0.83230%0.298SS*.THydrogen-bonded Turntrans-77.9-26.2176.6-64.9-175.5173.800112.2W176W176-E178 VanDerWaalsContact C-N 3.25Å; W176-E178 PolarHBondContact O-N 3.1Å
179K86.3Confident82.7Confident68 Ų6858.3 Ų58.330%0.29631%0.313SS..THydrogen-bonded Turntrans-85.1-33.7-177.3-167170.9-174.2168.20112.9E100 F104 W176E100-K179 WeakPolarHBondContact O-CE 3.34Å; E100-K179 PolarHBondContact O-NZ 2.94Å; F104-K179 HydrophobicContact CB-CD 4.09Å; F104-K179 HydrophobicContact CD2-CD 3.67Å; F104-K179 HydrophobicContact CG-CD 4.31Å; W176-K179 PolarHBondContact O-N 3.14Å; W176-K179 VanDerWaalsContact O-N 3.14Å
180F89.7Confident82Confident6 Ų659.8 Ų59.83%0.02632%0.321CS..SBendtrans-110.3132.4-172.9-61.6-76.7000112.9F101 F104 W176 L241 V274 R276F101-F180 HydrophobicContact CB-CE1 4.32Å; F101-F180 HydrophobicContact CD2-CZ 4.49Å; F104-F180 HydrophobicContact CB-CE2 4.4Å; F104-F180 HydrophobicContact CB-CZ 4.03Å; F104-F180 HydrophobicContact CD1-CE2 4.32Å; F104-F180 HydrophobicContact CD2-CE2 4.02Å; F104-F180 HydrophobicContact CD2-CZ 4.47Å; F104-F180 HydrophobicContact CE2-CE2 4.23Å; F104-F180 HydrophobicContact CG-CE2 4.02Å; F104-F180 HydrophobicContact CG-CZ 4.12Å; W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.5Å; F180-L241 HydrophobicContact CB-CD1 3.82Å; F180-L241 HydrophobicContact CD1-CD1 3.96Å; F180-L241 HydrophobicContact CD2-CD1 3.42Å; F180-L241 VanDerWaalsContact CD2-CD1 3.42Å; F180-L241 HydrophobicContact CD2-CD2 4.46Å; F180-L241 HydrophobicContact CE1-CD1 4.41Å; F180-L241 HydrophobicContact CE2-CD1 3.94Å; F180-L241 HydrophobicContact CE2-CD2 4.18Å; F180-L241 HydrophobicContact CG-CD1 3.44Å; F180-L241 VanDerWaalsContact CG-CD1 3.44Å; F180-L241 HydrophobicContact CZ-CD1 4.41Å; F180-L241 HydrophobicContact CZ-CD2 4.48Å; F180-V274 HydrophobicContact CD1-CG1 3.98Å; F180-V274 HydrophobicContact CE1-CG1 3.95Å; F180-R276 WeakPolarHBondContact O-CD 3.45Å; F180-R276 WeakPolarHBondContact O-CG 3.2Å
181N83.7Confident81.6Confident131 Ų13162.7 Ų62.770%0.70133%0.331SS*.  trans-72160-179.6-71.9-53.3000112.8G275 R276N181-G275 WeakPolarHBondContact O-CA 3.43Å; N181-R276 PolarHBondContact O-N 3.36Å
182S79.5Confident81.1Confident49 Ų4963.4 Ų63.434%0.34334%0.338SS..BIsolated β-bridgetrans-71.7141.3170.3-178.80000111.7K184S182-K184 VanDerWaalsContact C-N 3.25Å; S182-K184 PolarHBondContact O-N 2.95Å
183S73.1Confident80.9Confident16 Ų1663 Ų6311%0.11234%0.339CS..THydrogen-bonded Turntrans-71.5-10.8-177.570.10000115.9A185 G186 L187 H244 R276S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 3.2Å; S183-G186 PolarHBondContact O-N 3.3Å; S183-L187 PolarHBondContact O-N 3.28Å; S183-H244 WeakPolarHBondContact CB-CE1 3.42Å; S183-H244 VanDerWaalsContact CB-NE2 3.35Å; S183-H244 WeakPolarHBondContact CB-NE2 3.49Å; S183-H244 PolarHBondContact OG-CE1 3.28Å; S183-R276 WeakPolarHBondContact CB-O 3.32Å; S183-R276 PolarHBondContact N-O 3.09Å; S183-R276 PolarHBondContact OG-O 3.29Å
184K76.3Confident81.6Confident58 Ų5860.1 Ų60.125%0.25232%0.318SS..Hα-helixtrans-52-45.5-176.2-69.2-176.7178.7-1720112S182 G186 L187 I188 S230 D231S182-K184 VanDerWaalsContact C-N 3.25Å; S182-K184 PolarHBondContact O-N 2.95Å; K184-G186 PolarHBondContact O-N 3.03Å; K184-L187 PolarHBondContact O-N 3.36Å; K184-I188 WeakPolarHBondContact O-CG1 3.32Å; K184-I188 PolarHBondContact O-N 3.45Å; K184-S230 WeakPolarHBondContact CE-OG 3.36Å; K184-S230 PolarHBondContact NZ-OG 3.37Å; K184-D231 IonicContact NZ-OD1 3.83Å; K184-D231 PolarHBondContact NZ-OD1 3.3Å
185A72.6Confident82.4Confident51 Ų5158.7 Ų58.742%0.42130%0.301SS..Hα-helixtrans-63.8-40.117900000112.3S183 I188 Q189S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 3.2Å; A185-I188 PolarHBondContact O-N 3Å; A185-Q189 WeakPolarHBondContact O-CB 3.36Å; A185-Q189 VanDerWaalsContact O-CG 3.27Å; A185-Q189 WeakPolarHBondContact O-CG 3.4Å; A185-Q189 PolarHBondContact O-N 2.99Å
186G76.6Confident82.9Confident27 Ų2758.2 Ų58.228%0.27831%0.31SS..Hα-helixtrans-65-41.4178.100000112.6S183 K184 I188 Q189 L190S183-G186 PolarHBondContact O-N 3.3Å; K184-G186 PolarHBondContact O-N 3.03Å; G186-I188 VanDerWaalsContact C-N 3.33Å; G186-I188 PolarHBondContact O-N 2.94Å; G186-Q189 PolarHBondContact O-N 3.36Å; G186-L190 VanDerWaalsContact O-CG 3.28Å; G186-L190 WeakPolarHBondContact O-CG 3.49Å; G186-L190 PolarHBondContact O-N 2.75Å
187L79.7Confident83Confident4 Ų458.4 Ų58.42%0.02131%0.312CS..Hα-helixtrans-62.2-39.5176-70.1171.3000112.4S183 K184 L190 I226 L337S183-L187 PolarHBondContact O-N 3.28Å; K184-L187 PolarHBondContact O-N 3.36Å; L187-L190 PolarHBondContact O-N 3.39Å; L187-I226 HydrophobicContact CB-CD1 3.98Å; L187-I226 HydrophobicContact CD1-CG2 4.07Å; L187-L337 HydrophobicContact CD1-CD2 4.04Å; L187-L337 HydrophobicContact CD2-CD2 4.47Å
188I76.3Confident83.3Confident52 Ų5255.9 Ų55.927%0.26730%0.3SS..Hα-helixtrans-69.4-41.6177.4-64.3163.8000110.6K184 A185 G186 L190 R191 E223 I226K184-I188 WeakPolarHBondContact O-CG1 3.32Å; K184-I188 PolarHBondContact O-N 3.45Å; A185-I188 PolarHBondContact O-N 3Å; G186-I188 VanDerWaalsContact C-N 3.33Å; G186-I188 PolarHBondContact O-N 2.94Å; I188-L190 PolarHBondContact O-N 3Å; I188-R191 WeakPolarHBondContact O-CB 3.42Å; I188-R191 PolarHBondContact O-N 2.91Å; I188-R191 VanDerWaalsContact O-N 3.08Å; I188-E223 HydrophobicContact CD1-CB 3.83Å; I188-E223 HydrophobicContact CD1-CG 3.73Å; I188-E223 HydrophobicContact CG1-CB 4.45Å; I188-I226 HydrophobicContact CG1-CD1 4.04Å
189Q74.6Confident83.6Confident92 Ų9253.5 Ų53.543%0.4329%0.287SS..Hα-helixtrans-60.9-33.9176.6-75176.9-20.500112.4A185 G186 R191A185-Q189 WeakPolarHBondContact O-CB 3.36Å; A185-Q189 VanDerWaalsContact O-CG 3.27Å; A185-Q189 WeakPolarHBondContact O-CG 3.4Å; A185-Q189 PolarHBondContact O-N 2.99Å; G186-Q189 PolarHBondContact O-N 3.36Å; Q189-R191 PolarHBondContact O-N 2.91Å
190L80.9Confident83.9Confident31 Ų3152.5 Ų52.516%0.16229%0.285CS..Hα-helixtrans-71.2-16177.4-69.9165.4000113.7G186 L187 I188 D192 T193 M194 M341G186-L190 VanDerWaalsContact O-CG 3.28Å; G186-L190 WeakPolarHBondContact O-CG 3.49Å; G186-L190 PolarHBondContact O-N 2.75Å; L187-L190 PolarHBondContact O-N 3.39Å; I188-L190 PolarHBondContact O-N 3Å; L190-D192 VanDerWaalsContact C-N 3.32Å; L190-D192 PolarHBondContact O-N 2.68Å; L190-T193 PolarHBondContact O-N 2.64Å; L190-M194 WeakPolarHBondContact O-CB 3.5Å; L190-M194 WeakPolarHBondContact O-CG 3.29Å; L190-M194 PolarHBondContact O-N 3.11Å; L190-M341 HydrophobicContact CD1-SD 4.1Å
191R86.1Confident84.1Confident80 Ų8052.2 Ų52.230%0.30228%0.284SS..Hα-helixtrans-56.5-44-178.6-176.2-176.5177.8-91.5-2.8112.3I188 Q189 M194 E195 M218 Y221I188-R191 WeakPolarHBondContact O-CB 3.42Å; I188-R191 PolarHBondContact O-N 2.91Å; I188-R191 VanDerWaalsContact O-N 3.08Å; Q189-R191 PolarHBondContact O-N 2.91Å; R191-M194 WeakPolarHBondContact O-CB 3.13Å; R191-M194 PolarHBondContact O-N 3.08Å; R191-E195 PolarHBondContact O-N 3.33Å; R191-M218 HydrophobicContact CG-CE 3.55Å; R191-Y221 WeakPolarHBondContact CD-O 3.38Å
192D83.7Confident84.5Confident103 Ų10352.2 Ų52.255%0.55128%0.277SS*.Hα-helixtrans-68.5-39.7-178.4-68.5-7.6000111.2L190 M194 E195 V196L190-D192 VanDerWaalsContact C-N 3.32Å; L190-D192 PolarHBondContact O-N 2.68Å; D192-M194 VanDerWaalsContact C-N 3.33Å; D192-E195 PolarHBondContact O-N 3.45Å; D192-V196 WeakPolarHBondContact O-CG2 3.28Å; D192-V196 PolarHBondContact O-N 2.77Å; D192-V196 VanDerWaalsContact O-N 3.11Å
193T84.8Confident85.2Confident56 Ų5654.7 Ų54.734%0.34430%0.295SS..Hα-helixtrans-64.7-41.2174.5-55.60000110.6L190 V196 G197 M345L190-T193 PolarHBondContact O-N 2.64Å; T193-V196 PolarHBondContact O-N 3.3Å; T193-G197 PolarHBondContact O-N 3.34Å; T193-G197 VanDerWaalsContact O-N 3.08Å; T193-M345 VanDerWaalsContact C-CE 3.48Å; T193-M345 HydrophobicContact CG2-CE 3.46Å; T193-M345 VanDerWaalsContact CG2-CE 3.46Å; T193-M345 HydrophobicContact CG2-SD 3.83Å
194M90Very high86Confident0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-61.9-44.3174.5-77.1-176.756.700111.3L190 R191 D192 V196 G197 L198 I217 Y221 M341 M345L190-M194 WeakPolarHBondContact O-CB 3.5Å; L190-M194 WeakPolarHBondContact O-CG 3.29Å; L190-M194 PolarHBondContact O-N 3.11Å; R191-M194 WeakPolarHBondContact O-CB 3.13Å; R191-M194 PolarHBondContact O-N 3.08Å; D192-M194 VanDerWaalsContact C-N 3.33Å; M194-V196 VanDerWaalsContact C-N 3.34Å; M194-V196 PolarHBondContact O-N 3.22Å; M194-G197 PolarHBondContact O-N 3.32Å; M194-L198 VanDerWaalsContact O-CB 3.3Å; M194-L198 WeakPolarHBondContact O-CB 3.28Å; M194-L198 WeakPolarHBondContact O-CG 3.29Å; M194-L198 PolarHBondContact O-N 3.46Å; M194-I217 HydrophobicContact CE-CG2 3.96Å; M194-Y221 HydrophobicContact CE-CD1 4.29Å; M194-Y221 HydrophobicContact CE-CD2 3.78Å; M194-Y221 HydrophobicContact CE-CE1 4.06Å; M194-Y221 HydrophobicContact CE-CE2 3.54Å; M194-Y221 HydrophobicContact CE-CG 4.16Å; M194-Y221 HydrophobicContact SD-CD1 3.82Å; M194-Y221 HydrophobicContact SD-CD2 4.39Å; M194-Y221 HydrophobicContact SD-CE1 3.57Å; M194-Y221 VanDerWaalsContact SD-CE1 3.57Å; M194-Y221 HydrophobicContact SD-CE2 4.21Å; M194-Y221 HydrophobicContact SD-CG 4.21Å; M194-M341 HydrophobicContact CG-CG 4.5Å; M194-M341 HydrophobicContact SD-CB 4.17Å; M194-M341 HydrophobicContact SD-CG 3.99Å; M194-M345 HydrophobicContact CB-CE 4.13Å; M194-M345 HydrophobicContact CG-CE 3.54Å
195E91.9Very high86.7Confident61 Ų6158.3 Ų58.329%0.28531%0.309SS..Hα-helixtrans-59.7-44.5179.8-167.1-178.8158.300111.7R191 D192 L198 K199 M218R191-E195 PolarHBondContact O-N 3.33Å; D192-E195 PolarHBondContact O-N 3.45Å; E195-L198 PolarHBondContact O-N 3.06Å; E195-K199 HydrophobicContact CG-CD 4.47Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact OE1-CE 3.27Å; E195-K199 WeakPolarHBondContact OE1-CE 3.37Å; E195-K199 IonicContact OE1-NZ 3.83Å; E195-K199 PolarHBondContact OE1-NZ 3.43Å; E195-M218 HydrophobicContact CB-CE 3.7Å; E195-M218 HydrophobicContact CB-SD 4.12Å; E195-M218 HydrophobicContact CG-CE 3.96Å; E195-M218 HydrophobicContact CG-SD 4.35Å
196V91.1Very high87.7Confident102 Ų10259.4 Ų59.462%0.61831%0.312SS*.Hα-helixtrans-61.6-46.6176.5173.10000111.1D192 T193 M194 K199 N200D192-V196 WeakPolarHBondContact O-CG2 3.28Å; D192-V196 PolarHBondContact O-N 2.77Å; D192-V196 VanDerWaalsContact O-N 3.11Å; T193-V196 PolarHBondContact O-N 3.3Å; M194-V196 VanDerWaalsContact C-N 3.34Å; M194-V196 PolarHBondContact O-N 3.22Å; V196-K199 PolarHBondContact O-N 3.09Å; V196-N200 WeakPolarHBondContact O-CB 3.35Å; V196-N200 PolarHBondContact O-N 3.18Å
197G92.7Very high88.5Confident4 Ų465.2 Ų65.24%0.04134%0.337CS..Hα-helixtrans-69.8-36.2-179.900000113.6T193 M194 N200 M201 G344 P347T193-G197 PolarHBondContact O-N 3.34Å; T193-G197 VanDerWaalsContact O-N 3.08Å; M194-G197 PolarHBondContact O-N 3.32Å; G197-N200 WeakPolarHBondContact O-CB 3.3Å; G197-N200 PolarHBondContact O-N 3.43Å; G197-M201 WeakPolarHBondContact O-CG 3.45Å; G197-M201 PolarHBondContact O-N 3.08Å; G197-G344 VanDerWaalsContact CA-O 3.27Å; G197-G344 WeakPolarHBondContact CA-O 3.49Å; G197-P347 WeakPolarHBondContact O-CG 3.45Å
198L93.9Very high88.9Confident5 Ų569.5 Ų69.53%0.02635%0.353CS..Hα-helixtrans-63-43.1173-75.1177.8000111.9M194 E195 N200 M201 K202 F214 I217 M218 L343M194-L198 VanDerWaalsContact O-CB 3.3Å; M194-L198 WeakPolarHBondContact O-CB 3.28Å; M194-L198 WeakPolarHBondContact O-CG 3.29Å; M194-L198 PolarHBondContact O-N 3.46Å; E195-L198 PolarHBondContact O-N 3.06Å; L198-N200 VanDerWaalsContact C-N 3.29Å; L198-N200 PolarHBondContact O-N 3.02Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.41Å; L198-K202 PolarHBondContact O-N 2.84Å; L198-F214 HydrophobicContact CB-CD1 3.75Å; L198-F214 HydrophobicContact CB-CE1 4.03Å; L198-F214 HydrophobicContact CD1-CD1 4.45Å; L198-F214 HydrophobicContact CD2-CD1 3.84Å; L198-F214 HydrophobicContact CD2-CE1 3.89Å; L198-F214 HydrophobicContact CG-CD1 4.19Å; L198-F214 VanDerWaalsContact O-CE1 3.26Å; L198-F214 WeakPolarHBondContact O-CE1 3.39Å; L198-I217 HydrophobicContact CD1-CB 4.21Å; L198-I217 HydrophobicContact CD1-CD1 4.5Å; L198-I217 HydrophobicContact CD1-CG2 3.74Å; L198-I217 HydrophobicContact CD2-CD1 4.04Å; L198-M218 HydrophobicContact CD1-CG 4.32Å; L198-M218 HydrophobicContact CD1-SD 3.75Å; L198-L343 HydrophobicContact CD2-CB 4.15Å; L198-L343 HydrophobicContact CD2-CD2 4.02Å; L198-L343 HydrophobicContact CD2-CG 3.94Å
199K93.2Very high89.7Confident127 Ų12767.3 Ų67.355%0.55234%0.342SS*.Hα-helixtrans-60-41.2172.3-74.3170.9-1761660111.6E195 V196 K202 S203E195-K199 HydrophobicContact CG-CD 4.47Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact OE1-CE 3.27Å; E195-K199 WeakPolarHBondContact OE1-CE 3.37Å; E195-K199 IonicContact OE1-NZ 3.83Å; E195-K199 PolarHBondContact OE1-NZ 3.43Å; V196-K199 PolarHBondContact O-N 3.09Å; K199-K202 PolarHBondContact O-N 3.48Å; K199-S203 WeakPolarHBondContact O-CB 3.27Å; K199-S203 PolarHBondContact O-N 3Å; K199-S203 VanDerWaalsContact O-N 3.09Å
200N92.2Very high90.5Very high48 Ų4867 Ų6726%0.25736%0.355SS..Hα-helixtrans-63.4-47.1177-176-52.7000111.3V196 G197 L198 K202 S203 Q204 P347V196-N200 WeakPolarHBondContact O-CB 3.35Å; V196-N200 PolarHBondContact O-N 3.18Å; G197-N200 WeakPolarHBondContact O-CB 3.3Å; G197-N200 PolarHBondContact O-N 3.43Å; L198-N200 VanDerWaalsContact C-N 3.29Å; L198-N200 PolarHBondContact O-N 3.02Å; N200-K202 PolarHBondContact O-N 3.49Å; N200-S203 PolarHBondContact O-N 2.8Å; N200-S203 VanDerWaalsContact O-N 3.12Å; N200-Q204 PolarHBondContact ND2-NE2 3.23Å; N200-Q204 PolarHBondContact O-N 3.29Å; N200-Q204 PolarHBondContact OD1-NE2 2.91Å; N200-P347 HydrophobicContact CB-CB 4.22Å; N200-P347 HydrophobicContact CB-CG 4.14Å
201M93.1Very high91Very high0 Ų073.3 Ų73.30%038%0.384CS..Hα-helixtrans-54.6-50.4174.7-79.3-62.8-71.500112.2G197 L198 S203 Q204 Y205 F214 L343 I346 P347 L369G197-M201 WeakPolarHBondContact O-CG 3.45Å; G197-M201 PolarHBondContact O-N 3.08Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.41Å; M201-S203 PolarHBondContact O-N 3.22Å; M201-Q204 PolarHBondContact O-N 3Å; M201-Y205 HydrophobicContact CE-CD2 4.25Å; M201-Y205 PolarHBondContact O-N 3.46Å; M201-Y205 HydrophobicContact SD-CD2 3.79Å; M201-Y205 HydrophobicContact SD-CE2 4.16Å; M201-F214 HydrophobicContact CB-CE1 4.42Å; M201-L343 HydrophobicContact CE-CD1 3.77Å; M201-L343 WeakPolarHBondContact CG-O 3.3Å; M201-I346 HydrophobicContact CE-CG2 3.83Å; M201-I346 HydrophobicContact CG-CG2 3.92Å; M201-I346 HydrophobicContact SD-CG2 3.22Å; M201-I346 WeakPolarHBondContact SD-CG2 3.27Å; M201-P347 HydrophobicContact CG-CG 3.65Å; M201-P347 HydrophobicContact SD-CG 3.94Å; M201-L369 HydrophobicContact CE-CD2 3.5Å; M201-L369 HydrophobicContact SD-CD2 3.6Å
202K92.8Very high91.4Very high130 Ų13070.1 Ų70.157%0.56537%0.373SS*.Hα-helixtrans-59.1-36.1178.5-169.9173.5-176.6170.20112.5L198 K199 N200 F214L198-K202 PolarHBondContact O-N 2.84Å; K199-K202 PolarHBondContact O-N 3.48Å; N200-K202 PolarHBondContact O-N 3.49Å; K202-F214 HydrophobicContact CB-CE1 4.23Å; K202-F214 HydrophobicContact CB-CE2 3.82Å; K202-F214 HydrophobicContact CB-CZ 3.63Å; K202-F214 HydrophobicContact CD-CD2 3.93Å; K202-F214 HydrophobicContact CD-CE2 3.88Å; K202-F214 HydrophobicContact CD-CZ 4.49Å; K202-F214 HydrophobicContact CG-CD2 4.4Å; K202-F214 HydrophobicContact CG-CE2 3.83Å; K202-F214 HydrophobicContact CG-CZ 4.17Å
203S93.3Very high92Very high101 Ų10168.9 Ų68.971%0.70637%0.366SS*.Hα-helixtrans-79.8-39.9-178.9-1710000113.3K199 N200 M201K199-S203 WeakPolarHBondContact O-CB 3.27Å; K199-S203 PolarHBondContact O-N 3Å; K199-S203 VanDerWaalsContact O-N 3.09Å; N200-S203 PolarHBondContact O-N 2.8Å; N200-S203 VanDerWaalsContact O-N 3.12Å; M201-S203 PolarHBondContact O-N 3.22Å
204Q90.7Very high92.4Very high106 Ų10667.3 Ų67.350%0.49536%0.355SS..Hα-helixtrans-84.9-32.6-175.7-68-158.849.800112.7N200 M201 P206N200-Q204 PolarHBondContact ND2-NE2 3.23Å; N200-Q204 PolarHBondContact O-N 3.29Å; N200-Q204 PolarHBondContact OD1-NE2 2.91Å; M201-Q204 PolarHBondContact O-N 3Å; Q204-P206 VanDerWaalsContact C-CD 3.45Å
205Y91.6Very high92.5Very high44 Ų4473.6 Ų73.617%0.17339%0.389CS..  trans-130.655.1-172.6-50.2-71.6000112.6M201 D207 R208 C209 L369M201-Y205 HydrophobicContact CE-CD2 4.25Å; M201-Y205 PolarHBondContact O-N 3.46Å; M201-Y205 HydrophobicContact SD-CD2 3.79Å; M201-Y205 HydrophobicContact SD-CE2 4.16Å; Y205-D207 VanDerWaalsContact C-N 3.32Å; Y205-D207 PolarHBondContact O-N 3.13Å; Y205-R208 PolarHBondContact O-N 3.38Å; Y205-C209 PolarHBondContact O-N 3.33Å; Y205-L369 HydrophobicContact CD1-CD1 3.82Å; Y205-L369 HydrophobicContact CD2-CD1 4.16Å; Y205-L369 HydrophobicContact CD2-CD2 3.79Å; Y205-L369 HydrophobicContact CE1-CD1 3.55Å; Y205-L369 HydrophobicContact CE2-CD1 3.93Å; Y205-L369 HydrophobicContact CE2-CD2 3.68Å; Y205-L369 HydrophobicContact CE2-CG 4.45Å; Y205-L369 HydrophobicContact CG-CD1 4.11Å; Y205-L369 HydrophobicContact CG-CD2 4.39Å
206P92.6Very high92.6Very high74 Ų7472.8 Ų72.848%0.48139%0.386SS..THydrogen-bonded Turntrans-58.5-40.1-172.324.2-34.7000113.3Q204 C209 A210Q204-P206 VanDerWaalsContact C-CD 3.45Å; P206-C209 CarbonylContact O-C 3.58Å; P206-C209 PolarHBondContact O-N 2.83Å; P206-A210 PolarHBondContact O-N 2.83Å; P206-A210 VanDerWaalsContact O-N 3.16Å
207D92.9Very high92.7Very high150 Ų15068 Ų6880%0.80236%0.357SS*.THydrogen-bonded Turntrans-67.8-39-179.2-65-25.1000112Y205 C209 A210Y205-D207 VanDerWaalsContact C-N 3.32Å; Y205-D207 PolarHBondContact O-N 3.13Å; D207-C209 VanDerWaalsContact C-N 3.34Å; D207-A210 WeakPolarHBondContact O-CB 3.32Å; D207-A210 PolarHBondContact O-N 2.97Å
208R89.5Confident92.7Very high94 Ų9468.9 Ų68.936%0.35536%0.36SS..THydrogen-bonded Turntrans-72.8-30.3178-65.2-172.1177.9-97.35.6111.9Y205 T366 E370 I373Y205-R208 PolarHBondContact O-N 3.38Å; R208-T366 PolarHBondContact NH2-OG1 3.32Å; R208-E370 IonicContact CZ-OE1 2.58Å; R208-E370 IonicContact NH1-OE1 2.64Å; R208-E370 PolarHBondContact NH1-OE1 3.13Å; R208-E370 IonicContact NH2-OE1 3.89Å; R208-I373 HydrophobicContact CB-CD1 3.8Å
209C91.7Very high92.6Very high6 Ų674.3 Ų74.34%0.04139%0.385CS..THydrogen-bonded Turntrans-91.29.1178.3-65.90000113.8Y205 P206 D207 Q211 V212 F214Y205-C209 PolarHBondContact O-N 3.33Å; P206-C209 CarbonylContact O-C 3.58Å; P206-C209 PolarHBondContact O-N 2.83Å; D207-C209 VanDerWaalsContact C-N 3.34Å; C209-Q211 PolarHBondContact O-N 3.08Å; C209-Q211 VanDerWaalsContact O-N 3.11Å; C209-V212 HydrophobicContact CB-CB 4.38Å; C209-V212 HydrophobicContact CB-CG2 4.31Å; C209-V212 WeakPolarHBondContact O-CB 3.5Å; C209-V212 PolarHBondContact O-N 2.79Å; C209-F214 HydrophobicContact CB-CE2 4.02Å; C209-F214 HydrophobicContact CB-CZ 3.77Å
210A92Very high92.5Very high84 Ų8471 Ų7169%0.69437%0.371SS*.THydrogen-bonded Turntrans-59.4-27.9-173.600000114.1P206 D207P206-A210 PolarHBondContact O-N 2.83Å; P206-A210 VanDerWaalsContact O-N 3.16Å; D207-A210 WeakPolarHBondContact O-CB 3.32Å; D207-A210 PolarHBondContact O-N 2.97Å
211Q91.6Very high92.5Very high165 Ų16568.8 Ų68.877%0.77136%0.359SS*.THydrogen-bonded Turntrans-100.80.3178.9-62.8-176.3-14.400113.6C209 D213 Y376C209-Q211 PolarHBondContact O-N 3.08Å; C209-Q211 VanDerWaalsContact O-N 3.11Å; Q211-D213 PolarHBondContact O-N 3.44Å; Q211-Y376 WeakPolarHBondContact O-CE1 3.27Å; Q211-Y376 PolarHBondContact O-OH 2.92Å; Q211-Y376 VanDerWaalsContact O-OH 3.11Å
212V94.8Very high92.4Very high13 Ų1370.9 Ų70.98%0.07937%0.372CS..  trans-82.9118.3-179.7176.40000109.5C209 F214 I217 L343 Y376C209-V212 HydrophobicContact CB-CB 4.38Å; C209-V212 HydrophobicContact CB-CG2 4.31Å; C209-V212 WeakPolarHBondContact O-CB 3.5Å; C209-V212 PolarHBondContact O-N 2.79Å; V212-F214 HydrophobicContact CB-CD2 4.43Å; V212-F214 HydrophobicContact CB-CE2 3.99Å; V212-F214 HydrophobicContact CB-CZ 4.15Å; V212-F214 HydrophobicContact CG1-CD1 4.02Å; V212-F214 HydrophobicContact CG1-CD2 4.07Å; V212-F214 HydrophobicContact CG1-CE1 3.9Å; V212-F214 HydrophobicContact CG1-CE2 3.91Å; V212-F214 HydrophobicContact CG1-CG 4.14Å; V212-F214 HydrophobicContact CG1-CZ 3.84Å; V212-F214 WeakPolarHBondContact O-CD2 3.3Å; V212-F214 PolarHBondContact O-N 3.06Å; V212-I217 HydrophobicContact CG1-CD1 3.85Å; V212-L343 HydrophobicContact CB-CD2 4.44Å; V212-L343 HydrophobicContact CG1-CD2 3.5Å; V212-L343 VanDerWaalsContact CG1-CD2 3.5Å; V212-L343 HydrophobicContact CG2-CD2 4.05Å; V212-Y376 HydrophobicContact CG1-CD2 4.32Å; V212-Y376 HydrophobicContact CG1-CE2 4.2Å; V212-Y376 HydrophobicContact CG2-CD1 4.16Å; V212-Y376 HydrophobicContact CG2-CE1 4.3Å; V212-Y376 HydrophobicContact CG2-CG 4.45Å
213D94.9Very high92.3Very high76 Ų7671 Ų7141%0.40638%0.375SS..  trans-85.294.9168.9-168.5-24000109.7Q211 D215 L216 I217 Y376Q211-D213 PolarHBondContact O-N 3.44Å; D213-D215 VanDerWaalsContact C-N 3.31Å; D213-D215 PolarHBondContact O-N 3.26Å; D213-D215 PolarHBondContact OD1-N 3.18Å; D213-D215 VanDerWaalsContact OD1-N 3.09Å; D213-L216 HydrophobicContact CB-CB 3.85Å; D213-L216 HydrophobicContact CB-CD2 4.43Å; D213-L216 VanDerWaalsContact CG-CB 3.47Å; D213-L216 PolarHBondContact OD1-N 3.07Å; D213-I217 WeakPolarHBondContact O-CG1 3.21Å; D213-I217 PolarHBondContact O-N 3.39Å; D213-Y376 PolarHBondContact N-OH 3.5Å
214F93.5Very high92.3Very high23 Ų2372.5 Ų72.510%0.10137%0.37CS..Hα-helixtrans-66.4-32.1179.7-68.3-81.8000113L198 M201 K202 C209 V212 I217 M218L198-F214 HydrophobicContact CB-CD1 3.75Å; L198-F214 HydrophobicContact CB-CE1 4.03Å; L198-F214 HydrophobicContact CD1-CD1 4.45Å; L198-F214 HydrophobicContact CD2-CD1 3.84Å; L198-F214 HydrophobicContact CD2-CE1 3.89Å; L198-F214 HydrophobicContact CG-CD1 4.19Å; L198-F214 VanDerWaalsContact O-CE1 3.26Å; L198-F214 WeakPolarHBondContact O-CE1 3.39Å; M201-F214 HydrophobicContact CB-CE1 4.42Å; K202-F214 HydrophobicContact CB-CE1 4.23Å; K202-F214 HydrophobicContact CB-CE2 3.82Å; K202-F214 HydrophobicContact CB-CZ 3.63Å; K202-F214 HydrophobicContact CD-CD2 3.93Å; K202-F214 HydrophobicContact CD-CE2 3.88Å; K202-F214 HydrophobicContact CD-CZ 4.49Å; K202-F214 HydrophobicContact CG-CD2 4.4Å; K202-F214 HydrophobicContact CG-CE2 3.83Å; K202-F214 HydrophobicContact CG-CZ 4.17Å; C209-F214 HydrophobicContact CB-CE2 4.02Å; C209-F214 HydrophobicContact CB-CZ 3.77Å; V212-F214 HydrophobicContact CB-CD2 4.43Å; V212-F214 HydrophobicContact CB-CE2 3.99Å; V212-F214 HydrophobicContact CB-CZ 4.15Å; V212-F214 HydrophobicContact CG1-CD1 4.02Å; V212-F214 HydrophobicContact CG1-CD2 4.07Å; V212-F214 HydrophobicContact CG1-CE1 3.9Å; V212-F214 HydrophobicContact CG1-CE2 3.91Å; V212-F214 HydrophobicContact CG1-CG 4.14Å; V212-F214 HydrophobicContact CG1-CZ 3.84Å; V212-F214 WeakPolarHBondContact O-CD2 3.3Å; V212-F214 PolarHBondContact O-N 3.06Å; F214-I217 PolarHBondContact O-N 3.19Å; F214-M218 WeakPolarHBondContact O-CG 3.34Å; F214-M218 PolarHBondContact O-N 2.9Å
215D92.8Very high92.4Very high133 Ų13369.3 Ų69.371%0.71136%0.356SS*.Hα-helixtrans-72.5-41-178.1-67.3-27000109.7D213 I217 M218 E219D213-D215 VanDerWaalsContact C-N 3.31Å; D213-D215 PolarHBondContact O-N 3.26Å; D213-D215 PolarHBondContact OD1-N 3.18Å; D213-D215 VanDerWaalsContact OD1-N 3.09Å; D215-I217 VanDerWaalsContact C-N 3.32Å; D215-I217 PolarHBondContact O-N 3Å; D215-M218 PolarHBondContact O-N 2.87Å; D215-E219 WeakPolarHBondContact O-CB 3.38Å; D215-E219 PolarHBondContact O-N 2.92Å
216L93Very high92.4Very high44 Ų4467.2 Ų67.223%0.2335%0.348CS..Hα-helixtrans-57.5-43172.3176.663.4000112.2D213 M218 E219 K220 I380D213-L216 HydrophobicContact CB-CB 3.85Å; D213-L216 HydrophobicContact CB-CD2 4.43Å; D213-L216 VanDerWaalsContact CG-CB 3.47Å; D213-L216 PolarHBondContact OD1-N 3.07Å; L216-M218 PolarHBondContact O-N 3.4Å; L216-E219 PolarHBondContact O-N 3.17Å; L216-K220 WeakPolarHBondContact O-CG 3.48Å; L216-K220 PolarHBondContact O-N 3.17Å; L216-K220 VanDerWaalsContact O-N 3.14Å; L216-I380 HydrophobicContact CD2-CD1 3.52Å
217I93.4Very high92.3Very high0 Ų065.2 Ų65.20%034%0.336CS..Hα-helixtrans-59.8-49.5177-63.6168.3000109.8M194 L198 V212 D213 F214 D215 E219 K220 Y221 L340 L343 Y376M194-I217 HydrophobicContact CE-CG2 3.96Å; L198-I217 HydrophobicContact CD1-CB 4.21Å; L198-I217 HydrophobicContact CD1-CD1 4.5Å; L198-I217 HydrophobicContact CD1-CG2 3.74Å; L198-I217 HydrophobicContact CD2-CD1 4.04Å; V212-I217 HydrophobicContact CG1-CD1 3.85Å; D213-I217 WeakPolarHBondContact O-CG1 3.21Å; D213-I217 PolarHBondContact O-N 3.39Å; F214-I217 PolarHBondContact O-N 3.19Å; D215-I217 VanDerWaalsContact C-N 3.32Å; D215-I217 PolarHBondContact O-N 3Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.44Å; I217-K220 PolarHBondContact O-N 2.83Å; I217-Y221 HydrophobicContact CG2-CD2 4.4Å; I217-Y221 HydrophobicContact CG2-CE2 4.44Å; I217-Y221 WeakPolarHBondContact O-CD2 3.28Å; I217-Y221 PolarHBondContact O-N 2.94Å; I217-L340 HydrophobicContact CG1-CD1 4.35Å; I217-L340 HydrophobicContact CG1-CD2 4.23Å; I217-L340 HydrophobicContact CG2-CB 4.19Å; I217-L340 HydrophobicContact CG2-CD1 4.48Å; I217-L343 HydrophobicContact CD1-CD2 3.77Å; I217-Y376 HydrophobicContact CD1-CD2 3.92Å; I217-Y376 HydrophobicContact CD1-CE2 4.15Å; I217-Y376 HydrophobicContact CG1-CD2 4.22Å; I217-Y376 HydrophobicContact CG1-CE2 4.23Å
218M92.9Very high92.3Very high24 Ų2463 Ų6312%0.11832%0.321CS..Hα-helixtrans-66.5-30.8-178.4-66.6-54-61.200113.1R191 E195 L198 F214 D215 L216 Y221R191-M218 HydrophobicContact CG-CE 3.55Å; E195-M218 HydrophobicContact CB-CE 3.7Å; E195-M218 HydrophobicContact CB-SD 4.12Å; E195-M218 HydrophobicContact CG-CE 3.96Å; E195-M218 HydrophobicContact CG-SD 4.35Å; L198-M218 HydrophobicContact CD1-CG 4.32Å; L198-M218 HydrophobicContact CD1-SD 3.75Å; F214-M218 WeakPolarHBondContact O-CG 3.34Å; F214-M218 PolarHBondContact O-N 2.9Å; D215-M218 PolarHBondContact O-N 2.87Å; L216-M218 PolarHBondContact O-N 3.4Å; M218-Y221 PolarHBondContact O-N 2.97Å
219E92.8Very high92.4Very high119 Ų11959.6 Ų59.656%0.55631%0.308SS*.Hα-helixtrans-63.6-41.6173.1-173.1-176.7169.500111.5D215 L216 I217 Y221 T222 N225D215-E219 WeakPolarHBondContact O-CB 3.38Å; D215-E219 PolarHBondContact O-N 2.92Å; L216-E219 PolarHBondContact O-N 3.17Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.44Å; E219-Y221 VanDerWaalsContact C-N 3.32Å; E219-Y221 PolarHBondContact O-N 3.48Å; E219-T222 VanDerWaalsContact O-CG2 3.29Å; E219-T222 WeakPolarHBondContact O-CG2 3.26Å; E219-T222 PolarHBondContact O-N 3.26Å; E219-T222 PolarHBondContact O-OG1 3.12Å; E219-T222 VanDerWaalsContact O-OG1 3.04Å; E219-N225 PolarHBondContact O-ND2 3.23Å
220K91.3Very high92.4Very high58 Ų5860 Ų6025%0.25231%0.311SS..Hα-helixtrans-64.7-33178.6-68-65.4-177.4-175.20113.2L216 I217 T222 N225 W336 L340 F383L216-K220 WeakPolarHBondContact O-CG 3.48Å; L216-K220 PolarHBondContact O-N 3.17Å; L216-K220 VanDerWaalsContact O-N 3.14Å; I217-K220 PolarHBondContact O-N 2.83Å; K220-T222 PolarHBondContact O-N 2.92Å; K220-N225 VanDerWaalsContact O-CB 3.29Å; K220-N225 WeakPolarHBondContact O-CB 2.87Å; K220-W336 HydrophobicContact CB-CE3 3.9Å; K220-W336 HydrophobicContact CB-CH2 4.36Å; K220-W336 HydrophobicContact CB-CZ3 3.68Å; K220-W336 VanDerWaalsContact O-CH2 3.31Å; K220-W336 WeakPolarHBondContact O-CH2 3.48Å; K220-W336 WeakPolarHBondContact O-CZ3 3.46Å; K220-L340 HydrophobicContact CG-CD1 4.48Å; K220-F383 HydrophobicContact CD-CE1 4.45Å; K220-F383 HydrophobicContact CD-CE2 4.3Å; K220-F383 HydrophobicContact CD-CZ 3.92Å; K220-F383 HydrophobicContact CG-CE2 4.21Å; K220-F383 HydrophobicContact CG-CZ 4Å
221Y91Very high92.4Very high1 Ų160.1 Ų60.10%0.00430%0.3CS..THydrogen-bonded Turntrans-87.929.6179.3-75.7-99.5000113.7R191 M194 I217 M218 E219 I226 W336 L337 L340 M341R191-Y221 WeakPolarHBondContact CD-O 3.38Å; M194-Y221 HydrophobicContact CE-CD1 4.29Å; M194-Y221 HydrophobicContact CE-CD2 3.78Å; M194-Y221 HydrophobicContact CE-CE1 4.06Å; M194-Y221 HydrophobicContact CE-CE2 3.54Å; M194-Y221 HydrophobicContact CE-CG 4.16Å; M194-Y221 HydrophobicContact SD-CD1 3.82Å; M194-Y221 HydrophobicContact SD-CD2 4.39Å; M194-Y221 HydrophobicContact SD-CE1 3.57Å; M194-Y221 VanDerWaalsContact SD-CE1 3.57Å; M194-Y221 HydrophobicContact SD-CE2 4.21Å; M194-Y221 HydrophobicContact SD-CG 4.21Å; I217-Y221 HydrophobicContact CG2-CD2 4.4Å; I217-Y221 HydrophobicContact CG2-CE2 4.44Å; I217-Y221 WeakPolarHBondContact O-CD2 3.28Å; I217-Y221 PolarHBondContact O-N 2.94Å; M218-Y221 PolarHBondContact O-N 2.97Å; E219-Y221 VanDerWaalsContact C-N 3.32Å; E219-Y221 PolarHBondContact O-N 3.48Å; Y221-I226 HydrophobicContact CD1-CD1 4.37Å; Y221-W336 AromaticContact CD2-CZ3 3.97Å; Y221-W336 HydrophobicContact CD2-CZ3 3.97Å; Y221-W336 HydrophobicContact CE1-CZ3 4.46Å; Y221-W336 AromaticContact CE2-CE3 3.94Å; Y221-W336 HydrophobicContact CE2-CE3 3.94Å; Y221-W336 AromaticContact CE2-CZ3 3.75Å; Y221-W336 HydrophobicContact CE2-CZ3 3.75Å; Y221-W336 HydrophobicContact CG-CZ3 4.4Å; Y221-W336 PolarHBondContact OH-O 3.46Å; Y221-L337 WeakPolarHBondContact OH-CA 3.41Å; Y221-L337 PolarHBondContact OH-O 2.93Å; Y221-L340 HydrophobicContact CE2-CB 3.95Å; Y221-L340 HydrophobicContact CE2-CD1 4.41Å; Y221-M341 PolarHBondContact OH-N 2.75Å
222T91.6Very high92.5Very high44 Ų4457.4 Ų57.427%0.2729%0.286SS..SBendtrans-80.2151.8168.456.10000110.8E219 K220 E224 N225 I226E219-T222 VanDerWaalsContact O-CG2 3.29Å; E219-T222 WeakPolarHBondContact O-CG2 3.26Å; E219-T222 PolarHBondContact O-N 3.26Å; E219-T222 PolarHBondContact O-OG1 3.12Å; E219-T222 VanDerWaalsContact O-OG1 3.04Å; K220-T222 PolarHBondContact O-N 2.92Å; T222-E224 PolarHBondContact O-N 2.82Å; T222-N225 PolarHBondContact O-N 3.08Å; T222-N225 WeakPolarHBondContact OG1-CB 3.39Å; T222-N225 PolarHBondContact OG1-N 2.83Å; T222-N225 PolarHBondContact OG1-ND2 3.2Å; T222-I226 WeakPolarHBondContact O-CG1 3.49Å; T222-I226 PolarHBondContact O-N 2.97Å
223E90.3Very high92.4Very high133 Ų13357 Ų5762%0.62128%0.283SS*.Hα-helixtrans-55.2-38.9175.4177.9174.1-171.100111.8I188 S227I188-E223 HydrophobicContact CD1-CB 3.83Å; I188-E223 HydrophobicContact CD1-CG 3.73Å; I188-E223 HydrophobicContact CG1-CB 4.45Å; E223-S227 WeakPolarHBondContact O-CB 3.36Å; E223-S227 PolarHBondContact O-N 3.32Å; E223-S227 PolarHBondContact O-OG 3.41Å
224E92.8Very high92.2Very high131 Ų13156.2 Ų56.261%0.61228%0.284SS*.Hα-helixtrans-62.1-52.6176.3-179.2173.7-174.400111.6T222 I226 S227 Q228T222-E224 PolarHBondContact O-N 2.82Å; E224-I226 PolarHBondContact O-N 3.45Å; E224-S227 PolarHBondContact O-N 2.85Å; E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.46Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 3.28Å; E224-Q228 PolarHBondContact OE1-NE2 3.34Å; E224-Q228 VanDerWaalsContact OE1-NE2 3.09Å
225N92.6Very high92.1Very high39 Ų3963.6 Ų63.621%0.20932%0.316CS..Hα-helixtrans-66.1-39.7-178.1-77.8-21.5000112.5E219 K220 T222 S227 W229E219-N225 PolarHBondContact O-ND2 3.23Å; K220-N225 VanDerWaalsContact O-CB 3.29Å; K220-N225 WeakPolarHBondContact O-CB 2.87Å; T222-N225 PolarHBondContact O-N 3.08Å; T222-N225 WeakPolarHBondContact OG1-CB 3.39Å; T222-N225 PolarHBondContact OG1-N 2.83Å; T222-N225 PolarHBondContact OG1-ND2 3.2Å; N225-S227 VanDerWaalsContact C-N 3.34Å; N225-W229 VanDerWaalsContact O-CB 3.31Å; N225-W229 WeakPolarHBondContact O-CB 3.49Å; N225-W229 PolarHBondContact O-N 3.2Å
226I91.9Very high91.9Very high0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-63.5-42174.1-68.4167.1000110.5L187 I188 Y221 T222 E224 W229 S230 W336L187-I226 HydrophobicContact CB-CD1 3.98Å; L187-I226 HydrophobicContact CD1-CG2 4.07Å; I188-I226 HydrophobicContact CG1-CD1 4.04Å; Y221-I226 HydrophobicContact CD1-CD1 4.37Å; T222-I226 WeakPolarHBondContact O-CG1 3.49Å; T222-I226 PolarHBondContact O-N 2.97Å; E224-I226 PolarHBondContact O-N 3.45Å; I226-W229 PolarHBondContact O-N 3.3Å; I226-S230 WeakPolarHBondContact O-CB 3.22Å; I226-S230 PolarHBondContact O-N 3.04Å; I226-W336 HydrophobicContact CG1-CH2 4.15Å
227S91.4Very high92Very high32 Ų3258.1 Ų58.122%0.22429%0.291CS..Hα-helixtrans-65.6-47.1178-65.30000111.9E223 E224 N225 W229 S230 D231E223-S227 WeakPolarHBondContact O-CB 3.36Å; E223-S227 PolarHBondContact O-N 3.32Å; E223-S227 PolarHBondContact O-OG 3.41Å; E224-S227 PolarHBondContact O-N 2.85Å; N225-S227 VanDerWaalsContact C-N 3.34Å; S227-W229 VanDerWaalsContact C-N 3.33Å; S227-W229 PolarHBondContact O-N 3.02Å; S227-S230 PolarHBondContact O-N 2.75Å; S227-D231 WeakPolarHBondContact O-CB 3.39Å; S227-D231 VanDerWaalsContact O-CG 3.24Å; S227-D231 PolarHBondContact O-N 3.07Å
228Q92.4Very high92Very high105 Ų10560.1 Ų60.149%0.49130%0.304SS..Hα-helixtrans-60.1-42.5176.3-71.9-179.315.900112E224 K232E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.46Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 3.28Å; E224-Q228 PolarHBondContact OE1-NE2 3.34Å; E224-Q228 VanDerWaalsContact OE1-NE2 3.09Å; Q228-K232 VanDerWaalsContact O-CB 3.31Å; Q228-K232 WeakPolarHBondContact O-CB 3.4Å; Q228-K232 PolarHBondContact O-N 2.97Å
229W92.8Very high92Very high21 Ų2161.4 Ų61.48%0.0831%0.31CS..Hα-helixtrans-59.9-50.5174164.681.8000111.4N225 I226 S227 D231 K232 I233 E281 Q333 T334 W336 L337N225-W229 VanDerWaalsContact O-CB 3.31Å; N225-W229 WeakPolarHBondContact O-CB 3.49Å; N225-W229 PolarHBondContact O-N 3.2Å; I226-W229 PolarHBondContact O-N 3.3Å; S227-W229 VanDerWaalsContact C-N 3.33Å; S227-W229 PolarHBondContact O-N 3.02Å; W229-D231 PolarHBondContact O-N 3.41Å; W229-K232 WeakPolarHBondContact O-CB 3.5Å; W229-K232 PolarHBondContact O-N 2.97Å; W229-K232 VanDerWaalsContact O-N 3.12Å; W229-I233 HydrophobicContact CD2-CG1 4.29Å; W229-I233 HydrophobicContact CG-CG1 4.36Å; W229-I233 HydrophobicContact CZ2-CB 4.36Å; W229-I233 HydrophobicContact CZ2-CG1 3.94Å; W229-I233 HydrophobicContact CZ2-CG2 4.38Å; W229-I233 VanDerWaalsContact NE1-CG1 3.27Å; W229-I233 WeakPolarHBondContact O-CG1 3.36Å; W229-I233 PolarHBondContact O-N 3.24Å; W229-E281 HydrophobicContact CH2-CG 4.23Å; W229-Q333 PolarHBondContact NE1-O 3.18Å; W229-T334 HydrophobicContact CZ2-CG2 3.77Å; W229-W336 HydrophobicContact CB-CZ2 4.03Å; W229-W336 AromaticContact CD1-NE1 3.63Å; W229-W336 AromaticContact CG-CZ2 3.98Å; W229-W336 HydrophobicContact CG-CZ2 3.98Å; W229-L337 HydrophobicContact CD2-CD1 3.63Å; W229-L337 HydrophobicContact CD2-CG 4.48Å; W229-L337 HydrophobicContact CE3-CD1 3.65Å; W229-L337 HydrophobicContact CH2-CD1 3.24Å; W229-L337 HydrophobicContact CZ2-CD1 3.2Å; W229-L337 HydrophobicContact CZ3-CD1 3.46Å; W229-L337 VanDerWaalsContact CZ3-CD1 3.46Å
230S91.4Very high92.1Very high16 Ų1655.8 Ų55.811%0.11228%0.284CS..Hα-helixtrans-62-43.1-178177.40000111.7K184 I226 S227 K232 I233 S234K184-S230 WeakPolarHBondContact CE-OG 3.36Å; K184-S230 PolarHBondContact NZ-OG 3.37Å; I226-S230 WeakPolarHBondContact O-CB 3.22Å; I226-S230 PolarHBondContact O-N 3.04Å; S227-S230 PolarHBondContact O-N 2.75Å; S230-K232 VanDerWaalsContact C-N 3.26Å; S230-K232 PolarHBondContact O-N 3.34Å; S230-I233 PolarHBondContact O-N 2.93Å; S230-S234 VanDerWaalsContact O-CB 3.28Å; S230-S234 WeakPolarHBondContact O-CB 3.4Å; S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 PolarHBondContact O-OG 3.35Å
231D91.6Very high92.2Very high85 Ų8553 Ų5346%0.45527%0.272SS..Hα-helixtrans-66.7-28.1177.1-68.70.8000112.4K184 S227 W229 S234 K235K184-D231 IonicContact NZ-OD1 3.83Å; K184-D231 PolarHBondContact NZ-OD1 3.3Å; S227-D231 WeakPolarHBondContact O-CB 3.39Å; S227-D231 VanDerWaalsContact O-CG 3.24Å; S227-D231 PolarHBondContact O-N 3.07Å; W229-D231 PolarHBondContact O-N 3.41Å; D231-S234 PolarHBondContact O-OG 3.43Å; D231-K235 WeakPolarHBondContact O-CD 3.34Å; D231-K235 VanDerWaalsContact O-CE 3.23Å; D231-K235 WeakPolarHBondContact O-CE 3.18Å; D231-K235 WeakPolarHBondContact O-CG 3.28Å
232K92.6Very high92.3Very high109 Ų10953 Ų5347%0.47427%0.272SS..Hα-helixtrans-75.5-48.8174-178.5179.7177.5-179.80111.4Q228 W229 S230 K235 Q333Q228-K232 VanDerWaalsContact O-CB 3.31Å; Q228-K232 WeakPolarHBondContact O-CB 3.4Å; Q228-K232 PolarHBondContact O-N 2.97Å; W229-K232 WeakPolarHBondContact O-CB 3.5Å; W229-K232 PolarHBondContact O-N 2.97Å; W229-K232 VanDerWaalsContact O-N 3.12Å; S230-K232 VanDerWaalsContact C-N 3.26Å; S230-K232 PolarHBondContact O-N 3.34Å; K232-K235 PolarHBondContact O-N 2.84Å; K232-Q333 VanDerWaalsContact NZ-NE2 3.17Å
233I93.1Very high92.3Very high3 Ų351.2 Ų51.22%0.01526%0.26CS..Hα-helixtrans-68.4-42.4-176.5-69.5-58.5000112W229 S230 K235 S236 I237 A330 Q333W229-I233 HydrophobicContact CD2-CG1 4.29Å; W229-I233 HydrophobicContact CG-CG1 4.36Å; W229-I233 HydrophobicContact CZ2-CB 4.36Å; W229-I233 HydrophobicContact CZ2-CG1 3.94Å; W229-I233 HydrophobicContact CZ2-CG2 4.38Å; W229-I233 VanDerWaalsContact NE1-CG1 3.27Å; W229-I233 WeakPolarHBondContact O-CG1 3.36Å; W229-I233 PolarHBondContact O-N 3.24Å; S230-I233 PolarHBondContact O-N 2.93Å; I233-K235 PolarHBondContact O-N 2.97Å; I233-S236 PolarHBondContact O-N 3.31Å; I233-S236 PolarHBondContact O-OG 3.28Å; I233-I237 HydrophobicContact CG2-CB 3.91Å; I233-I237 HydrophobicContact CG2-CG1 4.11Å; I233-I237 PolarHBondContact O-N 3.08Å; I233-A330 HydrophobicContact CD1-CB 4.17Å; I233-Q333 HydrophobicContact CD1-CB 3.84Å
234S91.2Very high92.1Very high60 Ų6045.3 Ų45.342%0.4223%0.233SC..THydrogen-bonded Turntrans-59.6-18.4-18053.40000114.4S230 D231S230-S234 VanDerWaalsContact O-CB 3.28Å; S230-S234 WeakPolarHBondContact O-CB 3.4Å; S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 PolarHBondContact O-OG 3.35Å; D231-S234 PolarHBondContact O-OG 3.43Å
235K90.9Very high91.6Very high178 Ų17840.8 Ų40.877%0.77421%0.211SC*.THydrogen-bonded Turntrans-75.3-25175.6-69.6169.7-175.5167.30113.6D231 K232 I233D231-K235 WeakPolarHBondContact O-CD 3.34Å; D231-K235 VanDerWaalsContact O-CE 3.23Å; D231-K235 WeakPolarHBondContact O-CE 3.18Å; D231-K235 WeakPolarHBondContact O-CG 3.28Å; K232-K235 PolarHBondContact O-N 2.84Å; I233-K235 PolarHBondContact O-N 2.97Å
236S89.4Confident91.3Very high59 Ų5939 Ų3941%0.41320%0.201SC..THydrogen-bonded Turntrans-122.2-20.3-174.556.20000113.5I233 P322I233-S236 PolarHBondContact O-N 3.31Å; I233-S236 PolarHBondContact O-OG 3.28Å; S236-P322 WeakPolarHBondContact O-CG 3.32Å
237I94.5Very high91Very high3 Ų339.4 Ų39.42%0.01520%0.203CC..SBendtrans-125.2124.9-177.8-50.7-62.6000108.8I233 S278 L279 L280 P322 L327 A330I233-I237 HydrophobicContact CG2-CB 3.91Å; I233-I237 HydrophobicContact CG2-CG1 4.11Å; I233-I237 PolarHBondContact O-N 3.08Å; I237-S278 VanDerWaalsContact CG2-OG 3.29Å; I237-S278 WeakPolarHBondContact CG2-OG 3.47Å; I237-L279 HydrophobicContact CG2-CB 3.78Å; I237-L279 HydrophobicContact CG2-CD1 4.21Å; I237-L279 HydrophobicContact CG2-CG 4.06Å; I237-L280 HydrophobicContact CD1-CD1 4.29Å; I237-L280 HydrophobicContact CG1-CD1 4.4Å; I237-P322 HydrophobicContact CD1-CB 4.27Å; I237-P322 HydrophobicContact CD1-CG 4.03Å; I237-L327 HydrophobicContact CD1-CD2 3.97Å; I237-A330 HydrophobicContact CD1-CB 3.49Å; I237-A330 VanDerWaalsContact CD1-CB 3.49Å; I237-A330 HydrophobicContact CG1-CB 3.43Å; I237-A330 VanDerWaalsContact CG1-CB 3.43Å
238P93.2Very high90.8Very high43 Ų4337.9 Ų37.928%0.27919%0.193SC..  trans-68.6155178.729-35000111.8L170 L279L170-P238 HydrophobicContact CD2-CB 3.52Å; L170-P238 HydrophobicContact CD2-CG 3.44Å; L170-P238 VanDerWaalsContact CD2-CG 3.44Å; P238-L279 HydrophobicContact CG-CD1 3.62Å; P238-L279 HydrophobicContact CG-CG 3.93Å; P238-L279 PolarHBondContact O-N 3.2Å
239E92.6Very high90.4Very high51 Ų5136.6 Ų36.624%0.23819%0.189CC..EExtended strand (participates in β ladder)trans-83.3142.5172-66.1-173.2117.700111.3R276 G277E239-R276 IonicContact OE1-NH2 2.79Å; E239-R276 IonicContact OE2-CZ 2.83Å; E239-R276 IonicContact OE2-NE 2.72Å; E239-R276 IonicContact OE2-NH2 3.8Å; E239-R276 PolarHBondContact OE2-NH2 2.99Å; E239-G277 CarbonylContact C-O 3.52Å; E239-G277 VanDerWaalsContact CA-O 3.24Å; E239-G277 WeakPolarHBondContact CA-O 3.46Å
240V94.9Very high90.3Very high0 Ų035.6 Ų35.60%019%0.185CC..EExtended strand (participates in β ladder)trans-139.1173.3174.5-67.80000110H166 C169 L170 W176 T242 G277 L279H166-V240 HydrophobicContact CB-CB 4.31Å; H166-V240 HydrophobicContact CB-CG1 4.11Å; H166-V240 HydrophobicContact CB-CG2 4.2Å; H166-V240 VanDerWaalsContact CD2-CG2 3.43Å; H166-V240 WeakPolarHBondContact CD2-CG2 3.32Å; C169-V240 HydrophobicContact CB-CB 3.84Å; C169-V240 HydrophobicContact CB-CG1 3.7Å; L170-V240 HydrophobicContact CD2-CG1 3.88Å; L170-V240 HydrophobicContact CG-CG1 3.98Å; W176-V240 VanDerWaalsContact CZ3-C 3.47Å; V240-T242 HydrophobicContact CG2-CG2 3.88Å; V240-T242 PolarHBondContact O-N 3.41Å; V240-G277 PolarHBondContact N-O 3.23Å; V240-G277 PolarHBondContact O-N 3.37Å; V240-G277 VanDerWaalsContact O-O 3.13Å; V240-L279 HydrophobicContact CB-CD2 4.11Å; V240-L279 HydrophobicContact CG1-CD2 3.35Å; V240-L279 HydrophobicContact CG1-CG 4.39Å; V240-L279 HydrophobicContact CG2-CD2 3.66Å; V240-L279 HydrophobicContact CG2-CG 4.47Å
241L94.6Very high90.4Very high1 Ų134.9 Ų34.91%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-72.6123.1169-166.568.7000109F101 F105 H166 W176 F180 V274F101-L241 HydrophobicContact CD2-CD2 3.97Å; F101-L241 HydrophobicContact CE2-CD2 3.74Å; F105-L241 HydrophobicContact CE2-CD2 4.23Å; H166-L241 PolarHBondContact CD2-O 3.22Å; H166-L241 VanDerWaalsContact CD2-O 3.25Å; H166-L241 PolarHBondContact NE2-O 3.43Å; H166-L241 VanDerWaalsContact NE2-O 3.14Å; W176-L241 HydrophobicContact CE3-CB 4.13Å; W176-L241 HydrophobicContact CE3-CD1 4.24Å; W176-L241 HydrophobicContact CZ3-CB 4.22Å; F180-L241 HydrophobicContact CB-CD1 3.82Å; F180-L241 HydrophobicContact CD1-CD1 3.96Å; F180-L241 HydrophobicContact CD2-CD1 3.42Å; F180-L241 VanDerWaalsContact CD2-CD1 3.42Å; F180-L241 HydrophobicContact CD2-CD2 4.46Å; F180-L241 HydrophobicContact CE1-CD1 4.41Å; F180-L241 HydrophobicContact CE2-CD1 3.94Å; F180-L241 HydrophobicContact CE2-CD2 4.18Å; F180-L241 HydrophobicContact CG-CD1 3.44Å; F180-L241 VanDerWaalsContact CG-CD1 3.44Å; F180-L241 HydrophobicContact CZ-CD1 4.41Å; F180-L241 HydrophobicContact CZ-CD2 4.48Å; L241-V274 HydrophobicContact CD1-CG2 3.5Å; L241-V274 HydrophobicContact CD2-CG2 4.09Å; L241-V274 HydrophobicContact CG-CG2 3.62Å
242T93.7Very high90.6Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-125.5146.6-178.547.40000111V240 H244 V274 G275 G277 S278 E281 D282V240-T242 HydrophobicContact CG2-CG2 3.88Å; V240-T242 PolarHBondContact O-N 3.41Å; T242-H244 VanDerWaalsContact C-N 3.27Å; T242-H244 PolarHBondContact O-CD2 3.48Å; T242-H244 PolarHBondContact OG1-CD2 2.86Å; T242-H244 PolarHBondContact OG1-CE1 3.14Å; T242-H244 PolarHBondContact OG1-ND1 3.28Å; T242-H244 PolarHBondContact OG1-NE2 3.29Å; T242-V274 WeakPolarHBondContact O-CA 3.47Å; T242-G275 PolarHBondContact N-O 3.41Å; T242-G275 PolarHBondContact O-N 3.5Å; T242-G275 PolarHBondContact OG1-O 3.14Å; T242-G277 WeakPolarHBondContact OG1-CA 3.37Å; T242-G277 PolarHBondContact OG1-N 2.97Å; T242-S278 WeakPolarHBondContact CG2-O 3.34Å; T242-E281 HydrophobicContact CG2-CB 4.47Å; T242-D282 WeakPolarHBondContact CA-OD2 3.5Å
243R91.2Very high90.8Very high7 Ų726.1 Ų26.13%0.02614%0.139CC..  trans-73.8-22.5173.6-169.4171.4174.2-83.7-20.4112.1Q245 W247 S250 V269 N270 W271 N273 D282R243-Q245 VanDerWaalsContact NH1-C 3.34Å; R243-Q245 PolarHBondContact NH1-O 3.4Å; R243-Q245 PolarHBondContact O-N 3.34Å; R243-W247 VanDerWaalsContact NH1-N 3.2Å; R243-S250 PolarHBondContact NH1-OG 3.27Å; R243-V269 PolarHBondContact NE-O 3.05Å; R243-V269 VanDerWaalsContact NE-O 3.12Å; R243-N270 VanDerWaalsContact CZ-O 3.24Å; R243-N270 PolarHBondContact NE-O 3.33Å; R243-N270 PolarHBondContact NH2-O 3.39Å; R243-W271 HydrophobicContact CB-CE3 3.92Å; R243-W271 HydrophobicContact CB-CH2 3.96Å; R243-W271 HydrophobicContact CB-CZ3 3.6Å; R243-W271 HydrophobicContact CG-CD2 4.29Å; R243-W271 HydrophobicContact CG-CE3 4.02Å; R243-W271 HydrophobicContact CG-CZ3 4.19Å; R243-N273 WeakPolarHBondContact O-CB 3.4Å; R243-D282 PolarHBondContact N-OD1 3.21Å; R243-D282 VanDerWaalsContact N-OD1 3.07Å; R243-D282 PolarHBondContact N-OD2 3.28Å
244H85.7Confident91Very high9 Ų932 Ų324%0.04216%0.16CC..SBendtrans66.8-52.1-177.7-63.5-70.9000114.4S183 T242 N273 G275 E281 D282 S285 R338S183-H244 WeakPolarHBondContact CB-CE1 3.42Å; S183-H244 VanDerWaalsContact CB-NE2 3.35Å; S183-H244 WeakPolarHBondContact CB-NE2 3.49Å; S183-H244 PolarHBondContact OG-CE1 3.28Å; T242-H244 VanDerWaalsContact C-N 3.27Å; T242-H244 PolarHBondContact O-CD2 3.48Å; T242-H244 PolarHBondContact OG1-CD2 2.86Å; T242-H244 PolarHBondContact OG1-CE1 3.14Å; T242-H244 PolarHBondContact OG1-ND1 3.28Å; T242-H244 PolarHBondContact OG1-NE2 3.29Å; H244-N273 PolarHBondContact CD2-O 3Å; H244-G275 PolarHBondContact CD2-N 2.88Å; H244-G275 VanDerWaalsContact NE2-C 3.31Å; H244-G275 WeakPolarHBondContact NE2-CA 3.39Å; H244-G275 PolarHBondContact NE2-N 3.25Å; H244-G275 PolarHBondContact NE2-O 3.25Å; H244-E281 IonicContact CE1-OE2 2.7Å; H244-E281 PolarHBondContact CE1-OE2 3.4Å; H244-E281 IonicContact ND1-OE2 3.66Å; H244-E281 PolarHBondContact ND1-OE2 3.02Å; H244-D282 PolarHBondContact N-OD1 3.38Å; H244-S285 PolarHBondContact O-OG 3.29Å; H244-R338 VanDerWaalsContact CB-NH2 3.29Å; H244-R338 PolarHBondContact ND1-NH2 3.45Å; H244-R338 VanDerWaalsContact ND1-NH2 3.18Å; H244-R338 PolarHBondContact O-NE 2.85Å; H244-R338 VanDerWaalsContact O-NE 3.13Å; H244-R338 PolarHBondContact O-NH1 2.84Å; H244-R338 PolarHBondContact O-NH2 3.11Å
245Q82.5Confident91.3Very high36 Ų3632.8 Ų32.817%0.16816%0.156CC..SBendtrans-106.149.3-177.9-63.7-168.2-7.100112.8R243 W247 N273 M341R243-Q245 VanDerWaalsContact NH1-C 3.34Å; R243-Q245 PolarHBondContact NH1-O 3.4Å; R243-Q245 PolarHBondContact O-N 3.34Å; Q245-W247 PolarHBondContact O-N 3.23Å; Q245-N273 HydrophobicContact CB-CB 4.48Å; Q245-N273 HydrophobicContact CG-CB 4.31Å; Q245-N273 PolarHBondContact OE1-ND2 3.2Å; Q245-N273 VanDerWaalsContact OE1-ND2 3.1Å; Q245-M341 HydrophobicContact CG-CE 4.34Å
246L85.5Confident91.5Very high0 Ų030 Ų300%014%0.141CC..  trans-55.7112.8177.7-162.364.4000111.8V158 L162 L251 I268 L286V158-L246 HydrophobicContact CG1-CD2 4.11Å; L162-L246 HydrophobicContact CD1-CD2 3.86Å; L246-L251 HydrophobicContact CD1-CD2 4.02Å; L246-I268 HydrophobicContact CD1-CG2 4.09Å; L246-L286 HydrophobicContact CD2-CB 3.96Å; L246-L286 HydrophobicContact CD2-CD1 3.92Å; L246-L286 HydrophobicContact CD2-CG 4.39Å
247W85.7Confident91.8Very high10 Ų1033.8 Ų33.84%0.03817%0.167CC..  trans-127.2154.9179.8-169.8-106.4000110.2I146 R243 Q245 N249 S250 W289 L342 L349 M368I146-W247 HydrophobicContact CD1-CZ2 4.2Å; R243-W247 VanDerWaalsContact NH1-N 3.2Å; Q245-W247 PolarHBondContact O-N 3.23Å; W247-N249 VanDerWaalsContact CD1-OD1 3.25Å; W247-N249 PolarHBondContact O-N 3.17Å; W247-S250 WeakPolarHBondContact O-CB 3.46Å; W247-S250 PolarHBondContact O-N 2.79Å; W247-S250 PolarHBondContact O-OG 3.38Å; W247-W289 HydrophobicContact CB-CE3 4.42Å; W247-W289 AromaticContact CD2-CE3 3.83Å; W247-W289 HydrophobicContact CD2-CE3 3.83Å; W247-W289 HydrophobicContact CD2-CZ3 4.4Å; W247-W289 HydrophobicContact CE3-CB 3.37Å; W247-W289 AromaticContact CE3-CD2 3.37Å; W247-W289 HydrophobicContact CE3-CD2 3.37Å; W247-W289 AromaticContact CE3-CE3 2.89Å; W247-W289 HydrophobicContact CE3-CE3 2.89Å; W247-W289 AromaticContact CE3-CG 3.63Å; W247-W289 HydrophobicContact CE3-CG 3.63Å; W247-W289 AromaticContact CE3-CZ3 3.7Å; W247-W289 HydrophobicContact CE3-CZ3 3.7Å; W247-W289 HydrophobicContact CG-CE3 4.47Å; W247-W289 HydrophobicContact CH2-CE3 4.4Å; W247-W289 HydrophobicContact CZ3-CB 3.45Å; W247-W289 VanDerWaalsContact CZ3-CB 3.45Å; W247-W289 AromaticContact CZ3-CD2 3.35Å; W247-W289 HydrophobicContact CZ3-CD2 3.35Å; W247-W289 AromaticContact CZ3-CE3 3.22Å; W247-W289 HydrophobicContact CZ3-CE3 3.22Å; W247-W289 AromaticContact CZ3-CG 3.55Å; W247-W289 HydrophobicContact CZ3-CG 3.55Å; W247-W289 AromaticContact CZ3-CZ3 3.85Å; W247-W289 HydrophobicContact CZ3-CZ3 3.85Å; W247-L342 HydrophobicContact CH2-CD1 3.79Å; W247-L342 HydrophobicContact CZ3-CD1 3.72Å; W247-L349 HydrophobicContact CH2-CD1 3.42Å; W247-L349 VanDerWaalsContact CH2-CD1 3.42Å; W247-L349 HydrophobicContact CH2-CG 4.47Å; W247-L349 HydrophobicContact CZ2-CB 4.48Å; W247-L349 HydrophobicContact CZ2-CD1 3.65Å; W247-L349 HydrophobicContact CZ2-CD2 3.95Å; W247-L349 HydrophobicContact CZ2-CG 4.24Å; W247-L349 HydrophobicContact CZ3-CD1 3.98Å; W247-M368 HydrophobicContact CH2-CE 3.63Å; W247-M368 HydrophobicContact CZ2-CE 3.74Å
248I86.7Confident91.8Very high0 Ų038.7 Ų38.70%019%0.194CC..G310 helixtrans-62.9-28.1-174.9-158.1174000113I143 I146 M150 S250 L251 C290I143-I248 HydrophobicContact CB-CD1 3.93Å; I143-I248 HydrophobicContact CB-CG1 3.96Å; I143-I248 HydrophobicContact CD1-CD1 3.63Å; I143-I248 HydrophobicContact CD1-CG1 3.67Å; I143-I248 HydrophobicContact CG1-CD1 4.37Å; I143-I248 HydrophobicContact CG1-CG1 4.31Å; I143-I248 HydrophobicContact CG2-CD1 3.75Å; I143-I248 HydrophobicContact CG2-CG1 4.34Å; I146-I248 HydrophobicContact CB-CG2 3.75Å; I146-I248 HydrophobicContact CG2-CG2 3.44Å; I146-I248 VanDerWaalsContact CG2-CG2 3.44Å; M150-I248 HydrophobicContact CG-CD1 4Å; M150-I248 HydrophobicContact CG-CG1 4.2Å; I248-S250 PolarHBondContact O-N 3.31Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-C290 HydrophobicContact CB-CB 4.31Å; I248-C290 PolarHBondContact N-SG 3.33Å; I248-C290 VanDerWaalsContact N-SG 3.45Å
249N84.5Confident91.8Very high78 Ų7838.4 Ų38.442%0.41720%0.198SC..G310 helixtrans-74.6-4.7176.279-10.5000114.2F142 W247F142-N249 VanDerWaalsContact CD1-O 3.27Å; F142-N249 WeakPolarHBondContact CD1-O 3.25Å; F142-N249 WeakPolarHBondContact CE1-O 3.21Å; W247-N249 VanDerWaalsContact CD1-OD1 3.25Å; W247-N249 PolarHBondContact O-N 3.17Å
250S90.1Very high91.8Very high0 Ų038.7 Ų38.70%020%0.204CC..G310 helixtrans-101.23.817685.90000112R243 W247 I248 I268 V269R243-S250 PolarHBondContact NH1-OG 3.27Å; W247-S250 WeakPolarHBondContact O-CB 3.46Å; W247-S250 PolarHBondContact O-N 2.79Å; W247-S250 PolarHBondContact O-OG 3.38Å; I248-S250 PolarHBondContact O-N 3.31Å; S250-I268 WeakPolarHBondContact O-CA 3.48Å; S250-V269 WeakPolarHBondContact CB-O 3.44Å; S250-V269 PolarHBondContact O-N 3.13Å
251L94.2Very high91.8Very high0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-112.6113-175-59.2175.3000109.1F142 M150 V158 L246 I248 F253 L265 I268F142-L251 WeakPolarHBondContact CD1-O 3.46Å; M150-L251 HydrophobicContact CE-CD1 4.09Å; M150-L251 HydrophobicContact SD-CD1 3.84Å; V158-L251 HydrophobicContact CG1-CD1 4.49Å; V158-L251 HydrophobicContact CG1-CD2 4.1Å; V158-L251 HydrophobicContact CG2-CD1 3.97Å; V158-L251 HydrophobicContact CG2-CD2 4.04Å; L246-L251 HydrophobicContact CD1-CD2 4.02Å; I248-L251 PolarHBondContact O-N 3.49Å; L251-F253 HydrophobicContact CB-CD2 4.39Å; L251-F253 HydrophobicContact CB-CE2 3.52Å; L251-F253 HydrophobicContact CB-CZ 3.93Å; L251-F253 HydrophobicContact CD1-CE2 4.37Å; L251-F253 HydrophobicContact CD1-CZ 4.26Å; L251-L265 HydrophobicContact CB-CD1 4.42Å; L251-L265 HydrophobicContact CD2-CD1 4.26Å; L251-I268 HydrophobicContact CD2-CD1 4.13Å; L251-I268 HydrophobicContact CD2-CG1 3.8Å; L251-I268 HydrophobicContact CD2-CG2 4.3Å
252L95.6Very high91.9Very high11 Ų1140.1 Ų40.16%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-97.3122177.5-164.275.6000109.1L136 V141 F142 V266 A267L136-L252 HydrophobicContact CB-CD2 3.38Å; L136-L252 HydrophobicContact CD1-CD2 3.86Å; L136-L252 HydrophobicContact CG-CD2 4.29Å; V141-L252 VanDerWaalsContact C-CD1 3.49Å; F142-L252 HydrophobicContact CD1-CD1 4Å; F142-L252 HydrophobicContact CD2-CD1 3.77Å; F142-L252 HydrophobicContact CE1-CB 4.21Å; F142-L252 HydrophobicContact CE1-CD1 3.92Å; F142-L252 HydrophobicContact CE2-CD1 3.69Å; F142-L252 HydrophobicContact CG-CD1 3.93Å; F142-L252 HydrophobicContact CZ-CD1 3.77Å; L252-V266 HydrophobicContact CD2-CB 4.43Å; L252-V266 HydrophobicContact CD2-CG1 4.18Å; L252-V266 WeakPolarHBondContact O-CA 3.47Å; L252-V266 WeakPolarHBondContact O-CB 3.42Å; L252-V266 PolarHBondContact O-N 3.37Å; L252-A267 HydrophobicContact CB-CB 4.24Å; L252-A267 PolarHBondContact N-O 3.13Å; L252-A267 PolarHBondContact O-N 3Å
253F97.2Very high92.1Very high0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-107.9154.8179.8-67.6-82.9000111.5G140 V141 I143 M150 Q154 V158 L251 K255 P261 D264 L265G140-F253 CarbonylContact C-O 3.58Å; G140-F253 VanDerWaalsContact CA-O 3.26Å; G140-F253 WeakPolarHBondContact CA-O 3.32Å; V141-F253 PolarHBondContact N-O 3.35Å; V141-F253 PolarHBondContact O-N 2.72Å; I143-F253 HydrophobicContact CD1-CD2 3.93Å; I143-F253 HydrophobicContact CD1-CE2 3.6Å; I143-F253 HydrophobicContact CD1-CZ 4.48Å; I143-F253 HydrophobicContact CG1-CD2 3.94Å; I143-F253 HydrophobicContact CG1-CE2 4.08Å; M150-F253 HydrophobicContact CE-CZ 3.89Å; Q154-F253 HydrophobicContact CB-CD1 4.38Å; Q154-F253 HydrophobicContact CB-CE1 3.66Å; Q154-F253 HydrophobicContact CB-CZ 3.84Å; Q154-F253 HydrophobicContact CG-CD1 3.82Å; Q154-F253 HydrophobicContact CG-CE1 3.61Å; Q154-F253 HydrophobicContact CG-CE2 4.49Å; Q154-F253 HydrophobicContact CG-CG 4.38Å; Q154-F253 HydrophobicContact CG-CZ 3.99Å; V158-F253 HydrophobicContact CG2-CE1 4.16Å; V158-F253 HydrophobicContact CG2-CZ 3.87Å; L251-F253 HydrophobicContact CB-CD2 4.39Å; L251-F253 HydrophobicContact CB-CE2 3.52Å; L251-F253 HydrophobicContact CB-CZ 3.93Å; L251-F253 HydrophobicContact CD1-CE2 4.37Å; L251-F253 HydrophobicContact CD1-CZ 4.26Å; F253-K255 PolarHBondContact O-N 3.18Å; F253-P261 HydrophobicContact CB-CB 3.85Å; F253-P261 HydrophobicContact CG-CB 4.47Å; F253-D264 CarbonylContact C-O 3.59Å; F253-D264 WeakPolarHBondContact CA-O 3.29Å; F253-L265 HydrophobicContact CE1-CB 4.29Å; F253-L265 HydrophobicContact CE1-CD1 4.09Å; F253-L265 HydrophobicContact CZ-CD1 4.22Å
254R98Very high92.4Very high126 Ų12646.9 Ų46.948%0.47525%0.251SS..EExtended strand (participates in β ladder)trans-62.4126.6178.4-172.7169.2-62.8-84.4-6.1109.7H139 R256 G262 D264 V266H139-R254 WeakPolarHBondContact O-CA 3.41Å; R254-R256 PolarHBondContact O-N 3.42Å; R254-G262 WeakPolarHBondContact O-CA 2.99Å; R254-G262 PolarHBondContact O-N 3.48Å; R254-D264 HydrophobicContact CB-CB 4Å; R254-D264 PolarHBondContact N-O 3.48Å; R254-V266 HydrophobicContact CB-CG2 3.87Å
255K96.4Very high92.9Very high77 Ų7747.6 Ų47.634%0.33526%0.255SS..EExtended strand (participates in β ladder)trans-65.2129178.4-164.8-176.1-67.8161.60110.2S137 D138 H139 V141 F253S137-K255 PolarHBondContact O-NZ 2.66Å; D138-K255 PolarHBondContact O-NZ 2.74Å; H139-K255 WeakPolarHBondContact O-CB 3.44Å; H139-K255 PolarHBondContact O-N 2.83Å; V141-K255 HydrophobicContact CG1-CB 4.26Å; V141-K255 HydrophobicContact CG1-CG 4.31Å; F253-K255 PolarHBondContact O-N 3.18Å
256R96Very high93.6Very high118 Ų11847.1 Ų47.145%0.44526%0.255SS..PPolyproline II helixtrans-75.4169.4168.4-69.4-176-177.3134.85110.2R254 D258 G259 T260 P261 D263R254-R256 PolarHBondContact O-N 3.42Å; R256-D258 VanDerWaalsContact CB-OD1 3.27Å; R256-D258 WeakPolarHBondContact CB-OD1 3.32Å; R256-D258 PolarHBondContact O-N 3.32Å; R256-D258 VanDerWaalsContact O-N 3.11Å; R256-G259 PolarHBondContact O-N 3.5Å; R256-T260 WeakPolarHBondContact CB-O 3.37Å; R256-T260 PolarHBondContact N-O 3.35Å; R256-P261 VanDerWaalsContact CZ-O 3.29Å; R256-P261 PolarHBondContact NH1-O 3.36Å; R256-D263 IonicContact NH2-OD1 2.53Å
257S94.3Very high94.2Very high139 Ų13947.1 Ų47.197%0.97226%0.255SS*.THydrogen-bonded Turntrans-59.4-22.4177.755.50000114.2
258D94.5Very high94.7Very high107 Ų10746.7 Ų46.757%0.57225%0.253SS*.THydrogen-bonded Turntrans-91.12.817763.45.5000113.7R256 T260R256-D258 VanDerWaalsContact CB-OD1 3.27Å; R256-D258 WeakPolarHBondContact CB-OD1 3.32Å; R256-D258 PolarHBondContact O-N 3.32Å; R256-D258 VanDerWaalsContact O-N 3.11Å; D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 WeakPolarHBondContact OD1-CB 3.08Å; D258-T260 WeakPolarHBondContact OD1-CG2 3.44Å; D258-T260 PolarHBondContact OD1-N 2.78Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; D258-T260 PolarHBondContact OD2-OG1 2.89Å
259G93.1Very high95Very high36 Ų3647.5 Ų47.537%0.37126%0.258SS..SBendtrans88.2-8.9-177.800000114.8R256R256-G259 PolarHBondContact O-N 3.5Å
260T93.4Very high95.3Very high57 Ų5745.3 Ų45.335%0.3525%0.246SC..SBendtrans-81.5157-177.567.90000112.6R256 D258 G262R256-T260 WeakPolarHBondContact CB-O 3.37Å; R256-T260 PolarHBondContact N-O 3.35Å; D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 WeakPolarHBondContact OD1-CB 3.08Å; D258-T260 WeakPolarHBondContact OD1-CG2 3.44Å; D258-T260 PolarHBondContact OD1-N 2.78Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; D258-T260 PolarHBondContact OD2-OG1 2.89Å; T260-G262 PolarHBondContact O-N 3.29Å
261P94.9Very high95.4Very high25 Ų2545.3 Ų45.316%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-65.6129.1175.724.1-33.5000112.2V141 I143 F253 R256V141-P261 HydrophobicContact CG1-CB 3.86Å; I143-P261 HydrophobicContact CG1-CB 4.17Å; I143-P261 HydrophobicContact CG1-CG 3.96Å; F253-P261 HydrophobicContact CB-CB 3.85Å; F253-P261 HydrophobicContact CG-CB 4.47Å; R256-P261 VanDerWaalsContact CZ-O 3.29Å; R256-P261 PolarHBondContact NH1-O 3.36Å
262G96.7Very high95.2Very high7 Ų747.1 Ų47.17%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-76.9-165.2166.300000112.8Q154 R254 T260Q154-G262 WeakPolarHBondContact CG-O 3.35Å; Q154-G262 PolarHBondContact NE2-O 2.96Å; R254-G262 WeakPolarHBondContact O-CA 2.99Å; R254-G262 PolarHBondContact O-N 3.48Å; T260-G262 PolarHBondContact O-N 3.29Å
263D97.3Very high94.8Very high58 Ų5848.4 Ų48.431%0.3126%0.261SS..EExtended strand (participates in β ladder)trans-94.1-20.3177.5-70.5-12.2000112.9T151 Q154 N157 R256 L265T151-D263 PolarHBondContact OG1-OD1 3.26Å; Q154-D263 HydrophobicContact CG-CB 4.45Å; N157-D263 PolarHBondContact ND2-O 3.47Å; R256-D263 IonicContact NH2-OD1 2.53Å; D263-L265 PolarHBondContact O-N 3.16Å
264D97.3Very high94.6Very high90 Ų9048.9 Ų48.948%0.48126%0.264SS..EExtended strand (participates in β ladder)trans-77.5120.7-176.3-61.9-30.4000110.7F253 R254F253-D264 CarbonylContact C-O 3.59Å; F253-D264 WeakPolarHBondContact CA-O 3.29Å; R254-D264 HydrophobicContact CB-CB 4Å; R254-D264 PolarHBondContact N-O 3.48Å
265L97.8Very high94.3Very high25 Ų2543 Ų4313%0.13124%0.243CC..EExtended strand (participates in β ladder)trans-71.5128.5175.1-17868.4000109.9P114 N157 V158 A161 L251 F253 D263 I268P114-L265 HydrophobicContact CG-CD2 3.65Å; P114-L265 HydrophobicContact CG-CG 4.13Å; N157-L265 HydrophobicContact CB-CB 4.38Å; V158-L265 HydrophobicContact CG2-CD1 4.06Å; V158-L265 HydrophobicContact CG2-CD2 4.1Å; A161-L265 HydrophobicContact CB-CD2 3.57Å; L251-L265 HydrophobicContact CB-CD1 4.42Å; L251-L265 HydrophobicContact CD2-CD1 4.26Å; F253-L265 HydrophobicContact CE1-CB 4.29Å; F253-L265 HydrophobicContact CE1-CD1 4.09Å; F253-L265 HydrophobicContact CZ-CD1 4.22Å; D263-L265 PolarHBondContact O-N 3.16Å; L265-I268 HydrophobicContact CD1-CG1 4.24Å; L265-I268 HydrophobicContact CD2-CD1 4.01Å; L265-I268 HydrophobicContact CD2-CG1 3.89Å
266V97.5Very high94.1Very high26 Ų2642.5 Ų42.516%0.15824%0.239CC..EExtended strand (participates in β ladder)trans-97.6-46.5176.3176.20000110.4P114 L136 L252 R254P114-V266 VanDerWaalsContact CB-O 3.3Å; P114-V266 WeakPolarHBondContact CB-O 3.4Å; L136-V266 HydrophobicContact CD1-CG1 4.09Å; L136-V266 HydrophobicContact CD2-CG1 4.31Å; L252-V266 HydrophobicContact CD2-CB 4.43Å; L252-V266 HydrophobicContact CD2-CG1 4.18Å; L252-V266 WeakPolarHBondContact O-CA 3.47Å; L252-V266 WeakPolarHBondContact O-CB 3.42Å; L252-V266 PolarHBondContact O-N 3.37Å; R254-V266 HydrophobicContact CB-CG2 3.87Å
267A97.1Very high93.9Very high0 Ų037 Ų370%022%0.219CC..EExtended strand (participates in β ladder)trans-154.8150.3-179.200000112.7P114 P116 L136 L252 V269P114-A267 CarbonylContact O-C 3.53Å; P114-A267 WeakPolarHBondContact O-CA 3.41Å; P116-A267 HydrophobicContact CG-CB 4.3Å; L136-A267 HydrophobicContact CD1-CB 3.54Å; L252-A267 HydrophobicContact CB-CB 4.24Å; L252-A267 PolarHBondContact N-O 3.13Å; L252-A267 PolarHBondContact O-N 3Å; A267-V269 HydrophobicContact CB-CG1 4.17Å
268I95.6Very high93.9Very high0 Ų030.7 Ų30.70%018%0.175CC..EExtended strand (participates in β ladder)trans-106.5122.4160.7-55.2-177.1000107.5F113 P114 L115 V158 L162 L246 S250 L251 L265 W271F113-I268 HydrophobicContact CE2-CD1 4.15Å; F113-I268 HydrophobicContact CZ-CB 4.32Å; F113-I268 HydrophobicContact CZ-CD1 3.76Å; F113-I268 HydrophobicContact CZ-CG1 4.35Å; P114-I268 PolarHBondContact O-N 3.11Å; L115-I268 WeakPolarHBondContact CD2-O 3.11Å; V158-I268 HydrophobicContact CG1-CD1 4.42Å; L162-I268 HydrophobicContact CD2-CD1 4.41Å; L246-I268 HydrophobicContact CD1-CG2 4.09Å; S250-I268 WeakPolarHBondContact O-CA 3.48Å; L251-I268 HydrophobicContact CD2-CD1 4.13Å; L251-I268 HydrophobicContact CD2-CG1 3.8Å; L251-I268 HydrophobicContact CD2-CG2 4.3Å; L265-I268 HydrophobicContact CD1-CG1 4.24Å; L265-I268 HydrophobicContact CD2-CD1 4.01Å; L265-I268 HydrophobicContact CD2-CG1 3.89Å; I268-W271 HydrophobicContact CB-CZ2 3.97Å; I268-W271 HydrophobicContact CG2-CZ2 3.56Å; I268-W271 PolarHBondContact O-NE1 3.47Å
269V93.9Very high93.8Very high18 Ų1825.6 Ų25.611%0.10915%0.148CC..  trans-117.3-178.5-175.7-60.60000111.8P116 F142 R243 S250 A267P116-V269 HydrophobicContact CG-CG1 3.78Å; F142-V269 HydrophobicContact CE1-CG2 3.89Å; F142-V269 HydrophobicContact CZ-CG2 3.99Å; R243-V269 PolarHBondContact NE-O 3.05Å; R243-V269 VanDerWaalsContact NE-O 3.12Å; S250-V269 WeakPolarHBondContact CB-O 3.44Å; S250-V269 PolarHBondContact O-N 3.13Å; A267-V269 HydrophobicContact CB-CG1 4.17Å
270N90.6Very high94Very high32 Ų3223.9 Ų23.917%0.17113%0.13CC..  trans59.363.8175.8-60.8-31.4000112.4K46 E98 R243 E272K46-N270 PolarHBondContact NZ-OD1 3.22Å; E98-N270 VanDerWaalsContact OE1-CA 3.29Å; E98-N270 WeakPolarHBondContact OE1-CA 3.37Å; E98-N270 PolarHBondContact OE1-N 2.97Å; R243-N270 VanDerWaalsContact CZ-O 3.24Å; R243-N270 PolarHBondContact NE-O 3.33Å; R243-N270 PolarHBondContact NH2-O 3.39Å; N270-E272 PolarHBondContact O-N 3.27Å
271W93Very high94Very high0 Ų021.3 Ų21.30%011%0.114CC..  trans-8823.2-177.4-72.986.4000114E98 F101 F113 L165 R243 I268 N273 V274E98-W271 HydrophobicContact CG-CB 4.26Å; E98-W271 PolarHBondContact OE1-N 3.07Å; F101-W271 HydrophobicContact CB-CB 4.24Å; F101-W271 HydrophobicContact CD1-CB 3.56Å; F101-W271 AromaticContact CD1-CD1 3.83Å; F101-W271 HydrophobicContact CD1-CD2 4.01Å; F101-W271 AromaticContact CD1-CG 3.51Å; F101-W271 HydrophobicContact CD1-CG 3.51Å; F101-W271 HydrophobicContact CD2-CB 4.36Å; F101-W271 HydrophobicContact CD2-CD2 4.18Å; F101-W271 AromaticContact CD2-CE3 3.94Å; F101-W271 HydrophobicContact CD2-CE3 3.94Å; F101-W271 HydrophobicContact CD2-CG 4.37Å; F101-W271 HydrophobicContact CE1-CB 3.95Å; F101-W271 AromaticContact CE1-CD1 3.39Å; F101-W271 AromaticContact CE1-CD2 3.48Å; F101-W271 HydrophobicContact CE1-CD2 3.48Å; F101-W271 VanDerWaalsContact CE1-CD2 3.48Å; F101-W271 AromaticContact CE1-CE2 3.71Å; F101-W271 HydrophobicContact CE1-CE3 4.15Å; F101-W271 AromaticContact CE1-CG 3.33Å; F101-W271 HydrophobicContact CE1-CG 3.33Å; F101-W271 AromaticContact CE1-NE1 3.61Å; F101-W271 AromaticContact CE2-CD2 3.63Å; F101-W271 HydrophobicContact CE2-CD2 3.63Å; F101-W271 AromaticContact CE2-CE3 3.38Å; F101-W271 HydrophobicContact CE2-CE3 3.38Å; F101-W271 HydrophobicContact CE2-CG 4.18Å; F101-W271 HydrophobicContact CE2-CH2 4.34Å; F101-W271 AromaticContact CE2-CZ3 3.75Å; F101-W271 HydrophobicContact CE2-CZ3 3.75Å; F101-W271 HydrophobicContact CG-CB 3.79Å; F101-W271 HydrophobicContact CG-CD2 4.33Å; F101-W271 HydrophobicContact CG-CE3 4.48Å; F101-W271 HydrophobicContact CG-CG 4.04Å; F101-W271 HydrophobicContact CZ-CB 4.47Å; F101-W271 AromaticContact CZ-CD1 3.98Å; F101-W271 AromaticContact CZ-CD2 3.26Å; F101-W271 HydrophobicContact CZ-CD2 3.26Å; F101-W271 AromaticContact CZ-CE2 3.45Å; F101-W271 VanDerWaalsContact CZ-CE2 3.45Å; F101-W271 AromaticContact CZ-CE3 3.52Å; F101-W271 HydrophobicContact CZ-CE3 3.52Å; F101-W271 AromaticContact CZ-CG 3.69Å; F101-W271 HydrophobicContact CZ-CG 3.69Å; F101-W271 HydrophobicContact CZ-CH2 4.12Å; F101-W271 AromaticContact CZ-CZ2 3.92Å; F101-W271 HydrophobicContact CZ-CZ2 3.92Å; F101-W271 AromaticContact CZ-CZ3 3.92Å; F101-W271 HydrophobicContact CZ-CZ3 3.92Å; F101-W271 AromaticContact CZ-NE1 3.84Å; F113-W271 AromaticContact CE1-CH2 3.81Å; F113-W271 HydrophobicContact CE1-CH2 3.81Å; F113-W271 AromaticContact CE1-CZ2 3.31Å; F113-W271 HydrophobicContact CE1-CZ2 3.31Å; F113-W271 AromaticContact CZ-CH2 3.71Å; F113-W271 HydrophobicContact CZ-CH2 3.71Å; F113-W271 AromaticContact CZ-CZ2 3.44Å; F113-W271 HydrophobicContact CZ-CZ2 3.44Å; F113-W271 VanDerWaalsContact CZ-CZ2 3.44Å; L165-W271 HydrophobicContact CD2-CH2 3.88Å; L165-W271 HydrophobicContact CD2-CZ3 4.34Å; R243-W271 HydrophobicContact CB-CE3 3.92Å; R243-W271 HydrophobicContact CB-CH2 3.96Å; R243-W271 HydrophobicContact CB-CZ3 3.6Å; R243-W271 HydrophobicContact CG-CD2 4.29Å; R243-W271 HydrophobicContact CG-CE3 4.02Å; R243-W271 HydrophobicContact CG-CZ3 4.19Å; I268-W271 HydrophobicContact CB-CZ2 3.97Å; I268-W271 HydrophobicContact CG2-CZ2 3.56Å; I268-W271 PolarHBondContact O-NE1 3.47Å; W271-N273 PolarHBondContact O-N 2.58Å; W271-N273 VanDerWaalsContact O-N 3.1Å; W271-V274 HydrophobicContact CE3-CB 4.06Å; W271-V274 HydrophobicContact CE3-CG2 3.81Å; W271-V274 HydrophobicContact CZ3-CG2 4.24Å; W271-V274 VanDerWaalsContact O-CB 3.32Å; W271-V274 WeakPolarHBondContact O-CB 3.47Å; W271-V274 WeakPolarHBondContact O-CG1 3.34Å; W271-V274 PolarHBondContact O-N 2.84Å
272E88.9Confident94.1Very high37 Ų3720.1 Ų20.117%0.17311%0.106CC..THydrogen-bonded Turntrans-58.6-24.5-177.476.2-168.3171.900114.6D94 S97 E98 N270D94-E272 HydrophobicContact CB-CB 4.13Å; D94-E272 WeakPolarHBondContact O-CA 3.09Å; D94-E272 WeakPolarHBondContact O-CB 3.39Å; S97-E272 WeakPolarHBondContact CB-O 3.33Å; E98-E272 HydrophobicContact CB-CB 4.46Å; N270-E272 PolarHBondContact O-N 3.27Å
273N87.6Confident94.1Very high38 Ų3819.8 Ų19.820%0.20310%0.103CC..THydrogen-bonded Turntrans-100.210.6-179.9-72.6-81.5000113.3R243 H244 Q245 W271R243-N273 WeakPolarHBondContact O-CB 3.4Å; H244-N273 PolarHBondContact CD2-O 3Å; Q245-N273 HydrophobicContact CB-CB 4.48Å; Q245-N273 HydrophobicContact CG-CB 4.31Å; Q245-N273 PolarHBondContact OE1-ND2 3.2Å; Q245-N273 VanDerWaalsContact OE1-ND2 3.1Å; W271-N273 PolarHBondContact O-N 2.58Å; W271-N273 VanDerWaalsContact O-N 3.1Å
274V91.9Very high94.1Very high10 Ų1017 Ų176%0.0619%0.088CC..  trans-60.6144-172.669.80000112.4S97 F101 F180 L241 T242 W271S97-V274 WeakPolarHBondContact OG-CG1 3.35Å; F101-V274 HydrophobicContact CB-CG1 4.09Å; F101-V274 HydrophobicContact CD2-CB 4.35Å; F101-V274 HydrophobicContact CD2-CG1 4.34Å; F101-V274 HydrophobicContact CD2-CG2 3.82Å; F101-V274 HydrophobicContact CE2-CG2 4.23Å; F180-V274 HydrophobicContact CD1-CG1 3.98Å; F180-V274 HydrophobicContact CE1-CG1 3.95Å; L241-V274 HydrophobicContact CD1-CG2 3.5Å; L241-V274 HydrophobicContact CD2-CG2 4.09Å; L241-V274 HydrophobicContact CG-CG2 3.62Å; T242-V274 WeakPolarHBondContact O-CA 3.47Å; W271-V274 HydrophobicContact CE3-CB 4.06Å; W271-V274 HydrophobicContact CE3-CG2 3.81Å; W271-V274 HydrophobicContact CZ3-CG2 4.24Å; W271-V274 VanDerWaalsContact O-CB 3.32Å; W271-V274 WeakPolarHBondContact O-CB 3.47Å; W271-V274 WeakPolarHBondContact O-CG1 3.34Å; W271-V274 PolarHBondContact O-N 2.84Å
275G91.9Very high93.9Very high3 Ų312.7 Ų12.73%0.0317%0.065CC..EExtended strand (participates in β ladder)trans-173.2-177.1176.900000112.9N181 T242 H244N181-G275 WeakPolarHBondContact O-CA 3.43Å; T242-G275 PolarHBondContact N-O 3.41Å; T242-G275 PolarHBondContact O-N 3.5Å; T242-G275 PolarHBondContact OG1-O 3.14Å; H244-G275 PolarHBondContact CD2-N 2.88Å; H244-G275 VanDerWaalsContact NE2-C 3.31Å; H244-G275 WeakPolarHBondContact NE2-CA 3.39Å; H244-G275 PolarHBondContact NE2-N 3.25Å; H244-G275 PolarHBondContact NE2-O 3.25Å
276R92.3Very high93.9Very high67 Ų6711.5 Ų11.525%0.2536%0.059SC..EExtended strand (participates in β ladder)trans-74.9127.3170-65.5165.853.5166.9-2109.4W176 F180 N181 S183 E239W176-R276 HydrophobicContact CE3-CG 4.45Å; W176-R276 HydrophobicContact CH2-CG 4.22Å; W176-R276 HydrophobicContact CZ3-CB 4.39Å; W176-R276 HydrophobicContact CZ3-CG 3.6Å; F180-R276 WeakPolarHBondContact O-CD 3.45Å; F180-R276 WeakPolarHBondContact O-CG 3.2Å; N181-R276 PolarHBondContact O-N 3.36Å; S183-R276 WeakPolarHBondContact CB-O 3.32Å; S183-R276 PolarHBondContact N-O 3.09Å; S183-R276 PolarHBondContact OG-O 3.29Å; E239-R276 IonicContact OE1-NH2 2.79Å; E239-R276 IonicContact OE2-CZ 2.83Å; E239-R276 IonicContact OE2-NE 2.72Å; E239-R276 IonicContact OE2-NH2 3.8Å; E239-R276 PolarHBondContact OE2-NH2 2.99Å
277G92.4Very high93.8Very high2 Ų210.3 Ų10.32%0.0215%0.051CC..EExtended strand (participates in β ladder)trans-150.1174.917600000112.8E239 V240 T242 E281E239-G277 CarbonylContact C-O 3.52Å; E239-G277 VanDerWaalsContact CA-O 3.24Å; E239-G277 WeakPolarHBondContact CA-O 3.46Å; V240-G277 PolarHBondContact N-O 3.23Å; V240-G277 PolarHBondContact O-N 3.37Å; V240-G277 VanDerWaalsContact O-O 3.13Å; T242-G277 WeakPolarHBondContact OG1-CA 3.37Å; T242-G277 PolarHBondContact OG1-N 2.97Å; G277-E281 WeakPolarHBondContact CA-OE1 3.43Å
278S93.3Very high93.7Very high6 Ų610.3 Ų10.34%0.0425%0.051CC..EExtended strand (participates in β ladder)trans-69.9146.6173164.60000111.1I237 T242 L280 E281I237-S278 VanDerWaalsContact CG2-OG 3.29Å; I237-S278 WeakPolarHBondContact CG2-OG 3.47Å; T242-S278 WeakPolarHBondContact CG2-O 3.34Å; S278-L280 PolarHBondContact O-N 3.01Å; S278-L280 PolarHBondContact OG-N 2.93Å; S278-E281 PolarHBondContact N-OE1 3.39Å; S278-E281 PolarHBondContact O-N 3.44Å
279L93.8Very high93.6Very high0 Ų010.8 Ų10.80%05%0.053CC..THydrogen-bonded Turntrans-42.7-30.1170.9-72.6-176.1000114.3H166 L170 I237 P238 V240 Y307 L311H166-L279 HydrophobicContact CB-CD2 3.85Å; L170-L279 HydrophobicContact CD1-CD2 4.33Å; I237-L279 HydrophobicContact CG2-CB 3.78Å; I237-L279 HydrophobicContact CG2-CD1 4.21Å; I237-L279 HydrophobicContact CG2-CG 4.06Å; P238-L279 HydrophobicContact CG-CD1 3.62Å; P238-L279 HydrophobicContact CG-CG 3.93Å; P238-L279 PolarHBondContact O-N 3.2Å; V240-L279 HydrophobicContact CB-CD2 4.11Å; V240-L279 HydrophobicContact CG1-CD2 3.35Å; V240-L279 HydrophobicContact CG1-CG 4.39Å; V240-L279 HydrophobicContact CG2-CD2 3.66Å; V240-L279 HydrophobicContact CG2-CG 4.47Å; L279-Y307 HydrophobicContact CB-CE1 4.42Å; L279-Y307 PolarHBondContact O-OH 3.35Å; L279-Y307 VanDerWaalsContact O-OH 3.13Å; L279-L311 HydrophobicContact CD1-CD1 4.06Å
280L96Very high93.6Very high0 Ų09.9 Ų9.90%05%0.048CC..THydrogen-bonded Turntrans-94-10.4-171.5-62.7177.9000113.7I237 S278 I283 C284 L304 L327 A330 Y331 T334I237-L280 HydrophobicContact CD1-CD1 4.29Å; I237-L280 HydrophobicContact CG1-CD1 4.4Å; S278-L280 PolarHBondContact O-N 3.01Å; S278-L280 PolarHBondContact OG-N 2.93Å; L280-I283 PolarHBondContact O-N 3.24Å; L280-C284 WeakPolarHBondContact O-CB 3.48Å; L280-C284 PolarHBondContact O-N 2.89Å; L280-C284 PolarHBondContact O-SG 2.74Å; L280-L304 HydrophobicContact CD2-CD2 3.71Å; L280-L327 HydrophobicContact CD2-CD2 4.31Å; L280-A330 HydrophobicContact CD1-CB 3.48Å; L280-A330 VanDerWaalsContact CD1-CB 3.48Å; L280-Y331 VanDerWaalsContact CD1-N 3.35Å; L280-T334 HydrophobicContact CB-CG2 4.31Å
281E94.8Very high93.8Very high3 Ų38.4 Ų8.41%0.0144%0.04CC..Hα-helixtrans-63.7-48.8-178.7-74-174.4-125.500112W229 T242 H244 G277 S278 I283 C284 S285 T334 R338W229-E281 HydrophobicContact CH2-CG 4.23Å; T242-E281 HydrophobicContact CG2-CB 4.47Å; H244-E281 IonicContact CE1-OE2 2.7Å; H244-E281 PolarHBondContact CE1-OE2 3.4Å; H244-E281 IonicContact ND1-OE2 3.66Å; H244-E281 PolarHBondContact ND1-OE2 3.02Å; G277-E281 WeakPolarHBondContact CA-OE1 3.43Å; S278-E281 PolarHBondContact N-OE1 3.39Å; S278-E281 PolarHBondContact O-N 3.44Å; E281-I283 VanDerWaalsContact C-N 3.29Å; E281-I283 PolarHBondContact O-N 2.93Å; E281-C284 PolarHBondContact O-N 3.3Å; E281-S285 PolarHBondContact O-N 3.46Å; E281-S285 PolarHBondContact O-OG 3.45Å; E281-T334 HydrophobicContact CG-CG2 4.14Å; E281-R338 IonicContact OE2-CZ 2.9Å; E281-R338 IonicContact OE2-NH2 3.68Å; E281-R338 PolarHBondContact OE2-NH2 3Å
282D95.8Very high93.9Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-67.3-31.3178.1-78.2-12000112.1L162 H166 T242 R243 H244 S285 L286L162-D282 HydrophobicContact CD1-CB 4.02Å; L162-D282 HydrophobicContact CD2-CB 4.1Å; H166-D282 IonicContact CE1-OD2 3.73Å; H166-D282 IonicContact NE2-OD2 3.24Å; T242-D282 WeakPolarHBondContact CA-OD2 3.5Å; R243-D282 PolarHBondContact N-OD1 3.21Å; R243-D282 VanDerWaalsContact N-OD1 3.07Å; R243-D282 PolarHBondContact N-OD2 3.28Å; H244-D282 PolarHBondContact N-OD1 3.38Å; D282-S285 PolarHBondContact O-N 3.5Å; D282-L286 VanDerWaalsContact O-CB 3.25Å; D282-L286 WeakPolarHBondContact O-CB 3.48Å; D282-L286 PolarHBondContact O-N 2.68Å
283I97.3Very high94.3Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-69-41.8174-59.1-58.4000111.1T159 L162 L280 E281 L286 L287 V303 L304 Y307T159-I283 HydrophobicContact CG2-CD1 4.27Å; L162-I283 HydrophobicContact CD1-CD1 4.1Å; L280-I283 PolarHBondContact O-N 3.24Å; E281-I283 VanDerWaalsContact C-N 3.29Å; E281-I283 PolarHBondContact O-N 2.93Å; I283-L286 PolarHBondContact O-N 3.22Å; I283-L287 HydrophobicContact CG2-CD1 3.96Å; I283-L287 WeakPolarHBondContact O-CB 3.34Å; I283-L287 WeakPolarHBondContact O-CG 3.41Å; I283-L287 PolarHBondContact O-N 2.94Å; I283-V303 HydrophobicContact CG2-CG1 4.2Å; I283-L304 HydrophobicContact CG2-CD2 3.99Å; I283-Y307 HydrophobicContact CD1-CD1 4.44Å; I283-Y307 HydrophobicContact CD1-CD2 3.66Å; I283-Y307 HydrophobicContact CD1-CE2 3.88Å; I283-Y307 HydrophobicContact CD1-CG 3.98Å; I283-Y307 HydrophobicContact CG1-CD1 4.16Å; I283-Y307 HydrophobicContact CG1-CD2 4.2Å; I283-Y307 HydrophobicContact CG1-CE1 4.1Å; I283-Y307 HydrophobicContact CG1-CE2 4.17Å; I283-Y307 HydrophobicContact CG1-CG 4.2Å
284C96.8Very high94.7Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-63-45.4174.8-68.70000110.3L280 E281 L287 S288 Y331 R338L280-C284 WeakPolarHBondContact O-CB 3.48Å; L280-C284 PolarHBondContact O-N 2.89Å; L280-C284 PolarHBondContact O-SG 2.74Å; E281-C284 PolarHBondContact O-N 3.3Å; C284-L287 PolarHBondContact O-N 3.23Å; C284-S288 WeakPolarHBondContact O-CB 3.48Å; C284-S288 PolarHBondContact O-N 3.44Å; C284-S288 PolarHBondContact O-OG 2.68Å; C284-Y331 VanDerWaalsContact SG-CD2 3.56Å; C284-R338 HydrophobicContact CB-CB 4.18Å; C284-R338 HydrophobicContact CB-CG 3.99Å
285S94.5Very high94.9Very high0 Ų013.8 Ų13.80%07%0.067CC..Hα-helixtrans-58.2-53.8174.1-64.90000110.7H244 E281 D282 L287 S288 W289 R338H244-S285 PolarHBondContact O-OG 3.29Å; E281-S285 PolarHBondContact O-N 3.46Å; E281-S285 PolarHBondContact O-OG 3.45Å; D282-S285 PolarHBondContact O-N 3.5Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.48Å; S285-S288 PolarHBondContact O-N 2.82Å; S285-S288 PolarHBondContact O-OG 3.31Å; S285-W289 WeakPolarHBondContact O-CB 3.45Å; S285-W289 PolarHBondContact O-N 2.88Å; S285-R338 WeakPolarHBondContact OG-CD 3.36Å; S285-R338 WeakPolarHBondContact OG-CG 3.07Å; S285-R338 PolarHBondContact OG-NE 3.23Å
286L96.1Very high95.1Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-50.7-49.8179.2-173.456.2000112.8M150 L155 V158 L162 L246 D282 I283 C290M150-L286 HydrophobicContact CE-CD1 4.2Å; M150-L286 HydrophobicContact SD-CD1 3.67Å; L155-L286 HydrophobicContact CD1-CD1 4.26Å; L155-L286 HydrophobicContact CD1-CD2 3.69Å; L155-L286 HydrophobicContact CD1-CG 3.65Å; V158-L286 HydrophobicContact CB-CD1 4.26Å; V158-L286 HydrophobicContact CB-CD2 4.21Å; V158-L286 HydrophobicContact CG1-CD1 3.74Å; V158-L286 HydrophobicContact CG1-CD2 3.85Å; V158-L286 HydrophobicContact CG1-CG 4.45Å; L162-L286 HydrophobicContact CD1-CD2 4.21Å; L246-L286 HydrophobicContact CD2-CB 3.96Å; L246-L286 HydrophobicContact CD2-CD1 3.92Å; L246-L286 HydrophobicContact CD2-CG 4.39Å; D282-L286 VanDerWaalsContact O-CB 3.25Å; D282-L286 WeakPolarHBondContact O-CB 3.48Å; D282-L286 PolarHBondContact O-N 2.68Å; I283-L286 PolarHBondContact O-N 3.22Å; L286-C290 HydrophobicContact CD1-CB 4.08Å; L286-C290 VanDerWaalsContact O-CB 3.28Å; L286-C290 WeakPolarHBondContact O-CB 3.25Å; L286-C290 PolarHBondContact O-N 3.34Å; L286-C290 VanDerWaalsContact O-N 3.08Å
287L96.9Very high95.3Very high0 Ų016 Ų160%07%0.074CC..Hα-helixtrans-73.2-37.6-176.8-72.9172.7000112.9L155 I283 C284 S285 T291 R296 E300 V303 Y331L155-L287 HydrophobicContact CD1-CD2 4.2Å; L155-L287 HydrophobicContact CD2-CD2 4.24Å; I283-L287 HydrophobicContact CG2-CD1 3.96Å; I283-L287 WeakPolarHBondContact O-CB 3.34Å; I283-L287 WeakPolarHBondContact O-CG 3.41Å; I283-L287 PolarHBondContact O-N 2.94Å; C284-L287 PolarHBondContact O-N 3.23Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.48Å; L287-T291 PolarHBondContact O-OG1 3.02Å; L287-R296 HydrophobicContact CB-CG 4.19Å; L287-R296 WeakPolarHBondContact O-CD 3.4Å; L287-R296 PolarHBondContact O-NH1 2.7Å; L287-E300 HydrophobicContact CD1-CB 4Å; L287-V303 HydrophobicContact CD1-CG1 4.36Å; L287-V303 HydrophobicContact CD2-CG1 4.48Å; L287-V303 HydrophobicContact CD2-CG2 4.27Å; L287-Y331 HydrophobicContact CD1-CE2 3.75Å
288S94.8Very high95.5Very high0 Ų022.7 Ų22.70%010%0.103CC..Hα-helixtrans-78.7-38-179.548.10000112.7C284 S285 C375C284-S288 WeakPolarHBondContact O-CB 3.48Å; C284-S288 PolarHBondContact O-N 3.44Å; C284-S288 PolarHBondContact O-OG 2.68Å; S285-S288 PolarHBondContact O-N 2.82Å; S285-S288 PolarHBondContact O-OG 3.31Å; S288-C375 VanDerWaalsContact CB-SG 3.57Å; S288-C375 PolarHBondContact O-SG 3.12Å
289W92.7Very high95.7Very high10 Ų1024.6 Ų24.64%0.03811%0.11CC..Hα-helixtrans-95.1-37.1-168.2-78.251000112.6W247 S285 R338 M341 L342 M345 L349 R371W247-W289 HydrophobicContact CB-CE3 4.42Å; W247-W289 AromaticContact CD2-CE3 3.83Å; W247-W289 HydrophobicContact CD2-CE3 3.83Å; W247-W289 HydrophobicContact CD2-CZ3 4.4Å; W247-W289 HydrophobicContact CE3-CB 3.37Å; W247-W289 AromaticContact CE3-CD2 3.37Å; W247-W289 HydrophobicContact CE3-CD2 3.37Å; W247-W289 AromaticContact CE3-CE3 2.89Å; W247-W289 HydrophobicContact CE3-CE3 2.89Å; W247-W289 AromaticContact CE3-CG 3.63Å; W247-W289 HydrophobicContact CE3-CG 3.63Å; W247-W289 AromaticContact CE3-CZ3 3.7Å; W247-W289 HydrophobicContact CE3-CZ3 3.7Å; W247-W289 HydrophobicContact CG-CE3 4.47Å; W247-W289 HydrophobicContact CH2-CE3 4.4Å; W247-W289 HydrophobicContact CZ3-CB 3.45Å; W247-W289 VanDerWaalsContact CZ3-CB 3.45Å; W247-W289 AromaticContact CZ3-CD2 3.35Å; W247-W289 HydrophobicContact CZ3-CD2 3.35Å; W247-W289 AromaticContact CZ3-CE3 3.22Å; W247-W289 HydrophobicContact CZ3-CE3 3.22Å; W247-W289 AromaticContact CZ3-CG 3.55Å; W247-W289 HydrophobicContact CZ3-CG 3.55Å; W247-W289 AromaticContact CZ3-CZ3 3.85Å; W247-W289 HydrophobicContact CZ3-CZ3 3.85Å; S285-W289 WeakPolarHBondContact O-CB 3.45Å; S285-W289 PolarHBondContact O-N 2.88Å; W289-R338 PolarHBondContact NE1-O 3.47Å; W289-M341 HydrophobicContact CH2-CE 3.83Å; W289-M341 HydrophobicContact CH2-CG 4.45Å; W289-M341 HydrophobicContact CZ2-CB 4.19Å; W289-M341 HydrophobicContact CZ2-CE 3.34Å; W289-M341 HydrophobicContact CZ2-CG 3.94Å; W289-M341 HydrophobicContact CZ2-SD 4.45Å; W289-M341 HydrophobicContact CZ3-CE 4.47Å; W289-L342 HydrophobicContact CD2-CD1 4.24Å; W289-L342 HydrophobicContact CH2-CD1 4.32Å; W289-L342 VanDerWaalsContact CZ2-CA 3.45Å; W289-L342 HydrophobicContact CZ2-CB 3.9Å; W289-L342 HydrophobicContact CZ2-CD1 4.01Å; W289-M345 HydrophobicContact CH2-CB 3.58Å; W289-M345 HydrophobicContact CH2-CG 3.71Å; W289-M345 HydrophobicContact CZ2-CB 4.3Å; W289-M345 HydrophobicContact CZ2-CG 4.35Å; W289-L349 HydrophobicContact CH2-CD1 4.36Å; W289-L349 HydrophobicContact CZ3-CD1 4.16Å; W289-R371 PolarHBondContact O-NH1 3.37Å
290C93.8Very high95.9Very high0 Ų025.9 Ų25.90%012%0.115CC..SBendtrans-105.60.2-169.7-48.50000114.5G149 M150 I248 L286G149-C290 CarbonylContact C-O 3.57Å; G149-C290 WeakPolarHBondContact CA-O 3.37Å; M150-C290 HydrophobicContact CG-CB 3.98Å; M150-C290 WeakPolarHBondContact CG-O 3.4Å; M150-C290 PolarHBondContact N-O 3.39Å; M150-C290 HydrophobicContact SD-CB 3.34Å; M150-C290 WeakPolarHBondContact SD-CB 3.44Å; I248-C290 HydrophobicContact CB-CB 4.31Å; I248-C290 PolarHBondContact N-SG 3.33Å; I248-C290 VanDerWaalsContact N-SG 3.45Å; L286-C290 HydrophobicContact CD1-CB 4.08Å; L286-C290 VanDerWaalsContact O-CB 3.28Å; L286-C290 WeakPolarHBondContact O-CB 3.25Å; L286-C290 PolarHBondContact O-N 3.34Å; L286-C290 VanDerWaalsContact O-N 3.08Å
291T95.2Very high95.9Very high0 Ų031.8 Ų31.80%014%0.138CC..SBendtrans-127.2156.6-179.476.60000112.1L155 L287 M295 R296 R371L155-T291 HydrophobicContact CD1-CG2 3.99Å; L155-T291 HydrophobicContact CD2-CG2 4.13Å; L287-T291 PolarHBondContact O-OG1 3.02Å; T291-M295 HydrophobicContact CG2-SD 3.97Å; T291-R296 WeakPolarHBondContact OG1-CB 3.42Å; T291-R371 WeakPolarHBondContact O-CD 3.25Å; T291-R371 PolarHBondContact O-NE 2.82Å
292T95.1Very high96.1Very high33 Ų3335.9 Ų35.920%0.20216%0.159CC..  trans-71.2157.6170.881.80000110.5E294 M295 R296T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 WeakPolarHBondContact CB-OE2 3.43Å; T292-E294 PolarHBondContact O-N 2.96Å; T292-E294 PolarHBondContact OG1-OE2 3.29Å; T292-M295 PolarHBondContact O-N 2.83Å; T292-M295 PolarHBondContact OG1-N 3.32Å; T292-R296 PolarHBondContact O-N 3.44Å
293P96.5Very high96.2Very high14 Ų1435.9 Ų35.99%0.09116%0.159CC..Hα-helixtrans-55-40.6175.7-27.337.7000113.6M295 R296 R297 A374P293-M295 VanDerWaalsContact C-N 3.35Å; P293-R296 PolarHBondContact O-N 2.88Å; P293-R297 WeakPolarHBondContact O-CB 3.21Å; P293-R297 WeakPolarHBondContact O-CG 3.31Å; P293-R297 PolarHBondContact O-N 3Å; P293-A374 HydrophobicContact CB-CB 3.66Å; P293-A374 HydrophobicContact CG-CB 3.46Å; P293-A374 VanDerWaalsContact CG-CB 3.46Å
294E96.2Very high96.2Very high131 Ų13136.2 Ų36.261%0.61216%0.16SC*.Hα-helixtrans-63.5-43.9178.9-5669.5-147.600110.7T292 K298T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 WeakPolarHBondContact CB-OE2 3.43Å; T292-E294 PolarHBondContact O-N 2.96Å; T292-E294 PolarHBondContact OG1-OE2 3.29Å; E294-K298 WeakPolarHBondContact O-CB 3.46Å; E294-K298 PolarHBondContact O-N 3.1Å; E294-K298 VanDerWaalsContact O-N 3.12Å
295M96Very high96.3Very high21 Ų2139.7 Ų39.710%0.10318%0.182CC..Hα-helixtrans-66.8-47.7178-171-175.8-171.800111T151 T152 L155 T291 T292 P293 K298 Y299T151-M295 VanDerWaalsContact C-CE 3.42Å; T151-M295 WeakPolarHBondContact O-CE 3.33Å; T152-M295 VanDerWaalsContact CA-CE 3.41Å; T152-M295 VanDerWaalsContact N-CE 3.34Å; L155-M295 HydrophobicContact CB-CE 3.89Å; L155-M295 HydrophobicContact CD2-CE 3.55Å; L155-M295 HydrophobicContact CD2-SD 4.42Å; L155-M295 HydrophobicContact CG-CE 4.38Å; T291-M295 HydrophobicContact CG2-SD 3.97Å; T292-M295 PolarHBondContact O-N 2.83Å; T292-M295 PolarHBondContact OG1-N 3.32Å; P293-M295 VanDerWaalsContact C-N 3.35Å; M295-K298 PolarHBondContact O-N 2.71Å; M295-Y299 HydrophobicContact CG-CD2 3.77Å; M295-Y299 HydrophobicContact CG-CE2 4.31Å; M295-Y299 WeakPolarHBondContact O-CB 3.5Å; M295-Y299 WeakPolarHBondContact O-CD2 3.42Å; M295-Y299 PolarHBondContact O-N 3.32Å
296R97.2Very high96.5Very high0 Ų042.7 Ų42.70%019%0.193CC..Hα-helixtrans-53.9-57.6177.5176.4172.659-107.66111.4L287 T291 T292 P293 K298 Y299 E300 C375 D378L287-R296 HydrophobicContact CB-CG 4.19Å; L287-R296 WeakPolarHBondContact O-CD 3.4Å; L287-R296 PolarHBondContact O-NH1 2.7Å; T291-R296 WeakPolarHBondContact OG1-CB 3.42Å; T292-R296 PolarHBondContact O-N 3.44Å; P293-R296 PolarHBondContact O-N 2.88Å; R296-K298 PolarHBondContact O-N 3Å; R296-Y299 PolarHBondContact O-N 3.17Å; R296-Y299 VanDerWaalsContact O-N 3.11Å; R296-E300 WeakPolarHBondContact O-CB 3.35Å; R296-E300 PolarHBondContact O-N 3.3Å; R296-C375 PolarHBondContact NH1-SG 3.36Å; R296-D378 IonicContact CZ-OD2 3.96Å; R296-D378 IonicContact NE-OD2 2.76Å; R296-D378 PolarHBondContact NE-OD2 2.98Å; R296-D378 IonicContact NH2-OD2 3.84Å; R296-D378 PolarHBondContact NH2-OD2 2.98Å
297R97Very high96.6Very high116 Ų11642.7 Ų42.744%0.43819%0.193SC..Hα-helixtrans-61.6-31.2-177.4-68.2170.9179165.8-1.8112.1P293 E377 D378P293-R297 WeakPolarHBondContact O-CB 3.21Å; P293-R297 WeakPolarHBondContact O-CG 3.31Å; P293-R297 PolarHBondContact O-N 3Å; R297-E377 IonicContact NH2-OE2 2.71Å; R297-E377 PolarHBondContact NH2-OE2 3.39Å; R297-D378 IonicContact CZ-OD1 2.85Å; R297-D378 VanDerWaalsContact CZ-OD1 3.22Å; R297-D378 IonicContact NE-OD1 2.61Å; R297-D378 PolarHBondContact NE-OD1 3.24Å; R297-D378 IonicContact NE-OD2 3.22Å; R297-D378 IonicContact NH2-OD1 3.44Å; R297-D378 PolarHBondContact NH2-OD1 3.41Å
298K96.7Very high96.6Very high142 Ų14245.2 Ų45.262%0.61720%0.203SC*.Hα-helixtrans-75.6-36.1175.9-178.3175.2175.1-175.40113.3E294 M295 R296E294-K298 WeakPolarHBondContact O-CB 3.46Å; E294-K298 PolarHBondContact O-N 3.1Å; E294-K298 VanDerWaalsContact O-N 3.12Å; M295-K298 PolarHBondContact O-N 2.71Å; R296-K298 PolarHBondContact O-N 3Å
299Y97.1Very high96.8Very high47 Ų4750.9 Ų50.918%0.18423%0.228CC..Hα-helixtrans-112.2-11.7-166.7-74.8-80.9000115.5T152 M295 R296 R301 I302 V303T152-Y299 HydrophobicContact CG2-CD1 4.33Å; T152-Y299 HydrophobicContact CG2-CE1 3.74Å; M295-Y299 HydrophobicContact CG-CD2 3.77Å; M295-Y299 HydrophobicContact CG-CE2 4.31Å; M295-Y299 WeakPolarHBondContact O-CB 3.5Å; M295-Y299 WeakPolarHBondContact O-CD2 3.42Å; M295-Y299 PolarHBondContact O-N 3.32Å; R296-Y299 PolarHBondContact O-N 3.17Å; R296-Y299 VanDerWaalsContact O-N 3.11Å; Y299-R301 VanDerWaalsContact C-N 3.34Å; Y299-R301 PolarHBondContact O-N 2.91Å; Y299-I302 HydrophobicContact CD1-CB 4.29Å; Y299-I302 HydrophobicContact CD1-CD1 3.82Å; Y299-I302 HydrophobicContact CD1-CG2 4.34Å; Y299-I302 HydrophobicContact CE1-CD1 4.16Å; Y299-I302 CarbonylContact O-C 3.55Å; Y299-I302 WeakPolarHBondContact O-CA 3.39Å; Y299-I302 WeakPolarHBondContact O-CB 3.46Å; Y299-I302 PolarHBondContact O-N 2.9Å; Y299-V303 WeakPolarHBondContact O-CB 3.11Å; Y299-V303 WeakPolarHBondContact O-CG2 3.44Å; Y299-V303 PolarHBondContact O-N 3.37Å
300E97.3Very high97Very high26 Ų2652.8 Ų52.812%0.12124%0.236CC..Hα-helixtrans-52.9-45.6-174.858.7-176.2-177.100113.8L287 R296 V303 L304 W328 Y331L287-E300 HydrophobicContact CD1-CB 4Å; R296-E300 WeakPolarHBondContact O-CB 3.35Å; R296-E300 PolarHBondContact O-N 3.3Å; E300-V303 PolarHBondContact O-N 3.38Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.26Å; E300-W328 HydrophobicContact CB-CZ3 4.46Å; E300-W328 HydrophobicContact CG-CH2 4.08Å; E300-W328 HydrophobicContact CG-CZ3 3.94Å; E300-W328 WeakPolarHBondContact OE1-CH2 3.35Å; E300-Y331 HydrophobicContact CB-CE1 4.33Å; E300-Y331 WeakPolarHBondContact OE2-CE1 3.37Å; E300-Y331 PolarHBondContact OE2-OH 3.33Å
301R96.7Very high97.2Very high125 Ų12552.9 Ų52.947%0.47224%0.237SC..Hα-helixtrans-68.5-37.6176.8-59.6-169.389.899.52.6112Y299 L304 V305 W328Y299-R301 VanDerWaalsContact C-N 3.34Å; Y299-R301 PolarHBondContact O-N 2.91Å; R301-L304 PolarHBondContact O-N 2.96Å; R301-V305 WeakPolarHBondContact O-CG2 3.42Å; R301-V305 PolarHBondContact O-N 3.26Å; R301-V305 VanDerWaalsContact O-N 3.09Å; R301-W328 HydrophobicContact CG-CE3 4.01Å; R301-W328 HydrophobicContact CG-CH2 4.17Å; R301-W328 HydrophobicContact CG-CZ3 3.8Å; R301-W328 VanDerWaalsContact NH1-CZ2 3.28Å; R301-W328 VanDerWaalsContact NH1-NE1 3.11Å
302I97.4Very high97.3Very high89 Ų8957.7 Ų57.746%0.45626%0.259SS..Hα-helixtrans-65.4-44.5178.7-63.5170.9000109.7Y299 V305 Y306Y299-I302 HydrophobicContact CD1-CB 4.29Å; Y299-I302 HydrophobicContact CD1-CD1 3.82Å; Y299-I302 HydrophobicContact CD1-CG2 4.34Å; Y299-I302 HydrophobicContact CE1-CD1 4.16Å; Y299-I302 CarbonylContact O-C 3.55Å; Y299-I302 WeakPolarHBondContact O-CA 3.39Å; Y299-I302 WeakPolarHBondContact O-CB 3.46Å; Y299-I302 PolarHBondContact O-N 2.9Å; I302-V305 PolarHBondContact O-N 3.39Å; I302-Y306 VanDerWaalsContact O-CB 3.24Å; I302-Y306 WeakPolarHBondContact O-CB 3.18Å; I302-Y306 PolarHBondContact O-N 3.12Å
303V98.2Very high97.4Very high0 Ų061.5 Ų61.50%027%0.274CS..Hα-helixtrans-62.1-45.4177.5167.10000110.6L155 T159 I283 L287 Y299 E300 V305 Y306 Y307L155-V303 HydrophobicContact CD1-CG2 4.45Å; L155-V303 HydrophobicContact CD2-CG2 3.72Å; L155-V303 HydrophobicContact CG-CG2 3.96Å; T159-V303 HydrophobicContact CG2-CG1 3.99Å; I283-V303 HydrophobicContact CG2-CG1 4.2Å; L287-V303 HydrophobicContact CD1-CG1 4.36Å; L287-V303 HydrophobicContact CD2-CG1 4.48Å; L287-V303 HydrophobicContact CD2-CG2 4.27Å; Y299-V303 WeakPolarHBondContact O-CB 3.11Å; Y299-V303 WeakPolarHBondContact O-CG2 3.44Å; Y299-V303 PolarHBondContact O-N 3.37Å; E300-V303 PolarHBondContact O-N 3.38Å; V303-V305 PolarHBondContact O-N 3.47Å; V303-Y306 PolarHBondContact O-N 3.21Å; V303-Y307 WeakPolarHBondContact O-CB 3.34Å; V303-Y307 PolarHBondContact O-N 3.27Å
304L98.2Very high97.3Very high6 Ų662 Ų623%0.03128%0.282CS..Hα-helixtrans-63.8-42.4178.6-72.3167.6000113L280 I283 E300 R301 Y307 R308 W328 Y331L280-L304 HydrophobicContact CD2-CD2 3.71Å; I283-L304 HydrophobicContact CG2-CD2 3.99Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.26Å; R301-L304 PolarHBondContact O-N 2.96Å; L304-Y307 PolarHBondContact O-N 2.99Å; L304-R308 PolarHBondContact O-N 3.19Å; L304-W328 HydrophobicContact CD1-CE3 3.54Å; L304-W328 HydrophobicContact CD1-CZ3 3.96Å; L304-Y331 HydrophobicContact CD1-CD1 4.05Å; L304-Y331 HydrophobicContact CD1-CD2 4.16Å; L304-Y331 HydrophobicContact CD1-CG 3.74Å; L304-Y331 HydrophobicContact CD2-CD2 4.28Å; L304-Y331 HydrophobicContact CD2-CG 4.47Å
305V98.1Very high97.3Very high74 Ų7455.8 Ų55.845%0.44825%0.253SS..Hα-helixtrans-64.8-42.8175.4172.10000110.8R301 I302 V303 K309R301-V305 WeakPolarHBondContact O-CG2 3.42Å; R301-V305 PolarHBondContact O-N 3.26Å; R301-V305 VanDerWaalsContact O-N 3.09Å; I302-V305 PolarHBondContact O-N 3.39Å; V303-V305 PolarHBondContact O-N 3.47Å; V305-K309 WeakPolarHBondContact O-CB 3.29Å; V305-K309 PolarHBondContact O-N 3.09Å
306Y98.4Very high97.2Very high62 Ų6261.1 Ų61.124%0.24328%0.282CS..Hα-helixtrans-63.7-44.5177.1-179.9-100.7000111.8L156 T159 A160 I302 V303 K309 K310L156-Y306 HydrophobicContact CB-CE1 4.21Å; L156-Y306 HydrophobicContact CD2-CD1 3.82Å; L156-Y306 HydrophobicContact CD2-CE1 4.2Å; L156-Y306 HydrophobicContact CD2-CG 4Å; L156-Y306 WeakPolarHBondContact O-CE1 3.39Å; T159-Y306 HydrophobicContact CG2-CD1 3.82Å; T159-Y306 HydrophobicContact CG2-CE1 4.36Å; A160-Y306 HydrophobicContact CB-CE1 4.06Å; I302-Y306 VanDerWaalsContact O-CB 3.24Å; I302-Y306 WeakPolarHBondContact O-CB 3.18Å; I302-Y306 PolarHBondContact O-N 3.12Å; V303-Y306 PolarHBondContact O-N 3.21Å; Y306-K309 WeakPolarHBondContact O-CB 3.49Å; Y306-K309 PolarHBondContact O-N 3.49Å; Y306-K310 HydrophobicContact CD1-CG 4.34Å; Y306-K310 HydrophobicContact CE1-CG 3.93Å; Y306-K310 HydrophobicContact CE2-CG 4.48Å; Y306-K310 WeakPolarHBondContact O-CG 3.41Å; Y306-K310 PolarHBondContact O-N 3.18Å; Y306-K310 WeakPolarHBondContact OH-CE 3.31Å
307Y98.3Very high96.9Very high0 Ų064.4 Ų64.40%032%0.316CS..Hα-helixtrans-59-49.3176.2177-112.3000111.5T159 L162 A163 H166 L279 I283 V303 L304 K309 K310 L311T159-Y307 HydrophobicContact CG2-CD2 3.94Å; T159-Y307 HydrophobicContact CG2-CG 4.23Å; L162-Y307 HydrophobicContact CB-CE2 4.49Å; A163-Y307 HydrophobicContact CB-CD2 3.68Å; A163-Y307 HydrophobicContact CB-CE2 3.75Å; H166-Y307 AromaticContact ND1-CE2 3.87Å; H166-Y307 AromaticContact ND1-CZ 3.67Å; H166-Y307 PolarHBondContact ND1-OH 3.3Å; L279-Y307 HydrophobicContact CB-CE1 4.42Å; L279-Y307 PolarHBondContact O-OH 3.35Å; L279-Y307 VanDerWaalsContact O-OH 3.13Å; I283-Y307 HydrophobicContact CD1-CD1 4.44Å; I283-Y307 HydrophobicContact CD1-CD2 3.66Å; I283-Y307 HydrophobicContact CD1-CE2 3.88Å; I283-Y307 HydrophobicContact CD1-CG 3.98Å; I283-Y307 HydrophobicContact CG1-CD1 4.16Å; I283-Y307 HydrophobicContact CG1-CD2 4.2Å; I283-Y307 HydrophobicContact CG1-CE1 4.1Å; I283-Y307 HydrophobicContact CG1-CE2 4.17Å; I283-Y307 HydrophobicContact CG1-CG 4.2Å; V303-Y307 WeakPolarHBondContact O-CB 3.34Å; V303-Y307 PolarHBondContact O-N 3.27Å; L304-Y307 PolarHBondContact O-N 2.99Å; Y307-K309 VanDerWaalsContact C-N 3.33Å; Y307-K309 PolarHBondContact O-N 2.89Å; Y307-K310 PolarHBondContact O-N 3.42Å; Y307-K310 VanDerWaalsContact O-N 3.12Å; Y307-L311 HydrophobicContact CD1-CD1 3.98Å; Y307-L311 HydrophobicContact CE1-CD1 3.49Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.49Å; Y307-L311 HydrophobicContact CE1-CG 4.27Å; Y307-L311 HydrophobicContact CE2-CD1 4.39Å; Y307-L311 HydrophobicContact CE2-CD2 4.48Å; Y307-L311 HydrophobicContact CE2-CG 4.31Å; Y307-L311 PolarHBondContact O-N 3.18Å
308R98Very high96.7Very high53 Ų5364.1 Ų64.120%0.232%0.324CS..Hα-helixtrans-58.6-43.9174.9-170.6-170.8170.6-78.1-1.9112L304 K310 L311 E312 P322 N324 L327L304-R308 PolarHBondContact O-N 3.19Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 3.38Å; R308-L311 WeakPolarHBondContact O-CB 3.37Å; R308-L311 PolarHBondContact O-N 3.38Å; R308-E312 IonicContact CZ-OE2 2.83Å; R308-E312 IonicContact NH1-OE2 3.68Å; R308-E312 PolarHBondContact NH1-OE2 3.4Å; R308-E312 WeakPolarHBondContact O-CB 3.25Å; R308-E312 PolarHBondContact O-N 3.29Å; R308-P322 WeakPolarHBondContact CD-O 3.46Å; R308-P322 PolarHBondContact NE-O 2.84Å; R308-N324 WeakPolarHBondContact CD-OD1 3.39Å; R308-L327 HydrophobicContact CB-CD1 3.63Å; R308-L327 HydrophobicContact CG-CD1 3.76Å
309K98Very high96.6Very high120 Ų12059.3 Ų59.352%0.52231%0.306SS..Hα-helixtrans-60.1-38.9177.2179.7-179.3178.1-179.60111.6V305 Y306 Y307 Q313V305-K309 WeakPolarHBondContact O-CB 3.29Å; V305-K309 PolarHBondContact O-N 3.09Å; Y306-K309 WeakPolarHBondContact O-CB 3.49Å; Y306-K309 PolarHBondContact O-N 3.49Å; Y307-K309 VanDerWaalsContact C-N 3.33Å; Y307-K309 PolarHBondContact O-N 2.89Å; K309-Q313 WeakPolarHBondContact O-CG 3.49Å; K309-Q313 PolarHBondContact O-N 2.7Å; K309-Q313 VanDerWaalsContact O-N 3.16Å
310K98Very high96.4Very high50 Ų5066.3 Ų66.322%0.21734%0.34CS..Hα-helixtrans-70.4-40.8176.4-71.4-62.8-171.7176.70112.5A160 A163 Y306 Y307 R308 E312 Q313 G314A160-K310 HydrophobicContact CB-CD 4.34Å; A160-K310 HydrophobicContact CB-CG 4.26Å; A163-K310 HydrophobicContact CB-CB 3.32Å; A163-K310 HydrophobicContact CB-CG 4.41Å; Y306-K310 HydrophobicContact CD1-CG 4.34Å; Y306-K310 HydrophobicContact CE1-CG 3.93Å; Y306-K310 HydrophobicContact CE2-CG 4.48Å; Y306-K310 WeakPolarHBondContact O-CG 3.41Å; Y306-K310 PolarHBondContact O-N 3.18Å; Y306-K310 WeakPolarHBondContact OH-CE 3.31Å; Y307-K310 PolarHBondContact O-N 3.42Å; Y307-K310 VanDerWaalsContact O-N 3.12Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 3.38Å; K310-E312 VanDerWaalsContact C-N 3.32Å; K310-E312 PolarHBondContact O-N 3.4Å; K310-Q313 WeakPolarHBondContact O-CB 3.11Å; K310-Q313 PolarHBondContact O-N 3.35Å; K310-G314 PolarHBondContact O-N 3.49Å; K310-G314 VanDerWaalsContact O-N 3.07Å
311L97.4Very high96.4Very high2 Ų266.1 Ų66.11%0.0134%0.34CS..Hα-helixtrans-57.2-46.8170.9-72.4173000111.3A163 H166 L170 L279 Y307 R308 Q313 G314 V315 L321A163-L311 HydrophobicContact CB-CD2 4.37Å; A163-L311 HydrophobicContact CB-CG 4.28Å; A163-L311 WeakPolarHBondContact O-CD2 3.48Å; H166-L311 HydrophobicContact CB-CD2 3.79Å; L170-L311 HydrophobicContact CD1-CD2 4.31Å; L279-L311 HydrophobicContact CD1-CD1 4.06Å; Y307-L311 HydrophobicContact CD1-CD1 3.98Å; Y307-L311 HydrophobicContact CE1-CD1 3.49Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.49Å; Y307-L311 HydrophobicContact CE1-CG 4.27Å; Y307-L311 HydrophobicContact CE2-CD1 4.39Å; Y307-L311 HydrophobicContact CE2-CD2 4.48Å; Y307-L311 HydrophobicContact CE2-CG 4.31Å; Y307-L311 PolarHBondContact O-N 3.18Å; R308-L311 WeakPolarHBondContact O-CB 3.37Å; R308-L311 PolarHBondContact O-N 3.38Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.24Å; L311-G314 PolarHBondContact O-N 3.32Å; L311-V315 WeakPolarHBondContact O-CG2 3.16Å; L311-V315 PolarHBondContact O-N 2.92Å; L311-L321 HydrophobicContact CB-CD1 3.67Å; L311-L321 HydrophobicContact CB-CD2 4.38Å
312E97.4Very high96.3Very high101 Ų10161.1 Ų61.147%0.47232%0.323SS..Hα-helixtrans-59.5-39180-172.6168.1-171.100112R308 K310 D316 L321R308-E312 IonicContact CZ-OE2 2.83Å; R308-E312 IonicContact NH1-OE2 3.68Å; R308-E312 PolarHBondContact NH1-OE2 3.4Å; R308-E312 WeakPolarHBondContact O-CB 3.25Å; R308-E312 PolarHBondContact O-N 3.29Å; K310-E312 VanDerWaalsContact C-N 3.32Å; K310-E312 PolarHBondContact O-N 3.4Å; E312-D316 PolarHBondContact O-N 3.11Å; E312-L321 HydrophobicContact CB-CD1 3.98Å
313Q96.4Very high96.2Very high112 Ų11260.8 Ų60.852%0.52332%0.323SS..Hα-helixtrans-65.1-40.2173.1-71.4174.1-7.800112.6K309 K310 L311K309-Q313 WeakPolarHBondContact O-CG 3.49Å; K309-Q313 PolarHBondContact O-N 2.7Å; K309-Q313 VanDerWaalsContact O-N 3.16Å; K310-Q313 WeakPolarHBondContact O-CB 3.11Å; K310-Q313 PolarHBondContact O-N 3.35Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.24Å
314G95.5Very high96.1Very high24 Ų2463.9 Ų63.925%0.24734%0.339CS..Hα-helixtrans-76.5-34.7-177.700000114S167 K171 K310 L311S167-G314 WeakPolarHBondContact OG-CA 3.42Å; K171-G314 WeakPolarHBondContact CD-O 3.39Å; K310-G314 PolarHBondContact O-N 3.49Å; K310-G314 VanDerWaalsContact O-N 3.07Å; L311-G314 PolarHBondContact O-N 3.32Å
315V95.6Very high96Very high2 Ų269.2 Ų69.21%0.01237%0.368CS..Hα-helixtrans-79.5-21.2177.6-56.80000113.2L170 K171 L311 G317 D318 V319 L321L170-V315 HydrophobicContact CB-CG1 4.23Å; L170-V315 HydrophobicContact CD1-CG1 4.18Å; K171-V315 HydrophobicContact CG-CG1 4.44Å; L311-V315 WeakPolarHBondContact O-CG2 3.16Å; L311-V315 PolarHBondContact O-N 2.92Å; V315-G317 PolarHBondContact O-N 3.49Å; V315-G317 VanDerWaalsContact O-N 3.16Å; V315-D318 VanDerWaalsContact O-CB 3.25Å; V315-D318 WeakPolarHBondContact O-CB 3.24Å; V315-D318 PolarHBondContact O-N 3.07Å; V315-V319 HydrophobicContact CB-CB 4.12Å; V315-V319 HydrophobicContact CB-CG2 4.35Å; V315-V319 HydrophobicContact CG1-CB 4.11Å; V315-V319 HydrophobicContact CG1-CG2 4.29Å; V315-V319 HydrophobicContact CG2-CB 4.47Å; V315-L321 HydrophobicContact CG1-CD2 4.45Å; V315-L321 HydrophobicContact CG2-CD1 4.05Å; V315-L321 HydrophobicContact CG2-CG 4.29Å
316D93.5Very high95.9Very high132 Ų13268 Ų6871%0.70636%0.363SS*.THydrogen-bonded Turntrans50.438.2177.2-161.428.1000114E312 D318E312-D316 PolarHBondContact O-N 3.11Å; D316-D318 VanDerWaalsContact C-N 3.31Å; D316-D318 PolarHBondContact O-N 3.09Å
317G92.3Very high95.8Very high70 Ų7065.1 Ų65.172%0.72235%0.352SS*.THydrogen-bonded Turntrans81.6-3.8-179.400000115.9V315 V319V315-G317 PolarHBondContact O-N 3.49Å; V315-G317 VanDerWaalsContact O-N 3.16Å; G317-V319 VanDerWaalsContact C-N 3.25Å; G317-V319 PolarHBondContact O-N 3.26Å
318D92.8Very high95.7Very high110 Ų11066.7 Ų66.759%0.58836%0.357SS*.SBendtrans-69.2-22.7-179.8-67.1-31.8000113.2K171 V315 D316K171-D318 WeakPolarHBondContact CE-OD2 3.34Å; K171-D318 IonicContact NZ-OD2 3.42Å; K171-D318 PolarHBondContact NZ-OD2 3.05Å; V315-D318 VanDerWaalsContact O-CB 3.25Å; V315-D318 WeakPolarHBondContact O-CB 3.24Å; V315-D318 PolarHBondContact O-N 3.07Å; D316-D318 VanDerWaalsContact C-N 3.31Å; D316-D318 PolarHBondContact O-N 3.09Å
319V93.4Very high95.5Very high40 Ų4070 Ų7024%0.24237%0.373CS..SBendtrans-131.6131.7-175.3-175.80000110.4L170 V315 G317 L321L170-V319 HydrophobicContact CB-CG1 4.33Å; L170-V319 HydrophobicContact CB-CG2 4.22Å; V315-V319 HydrophobicContact CB-CB 4.12Å; V315-V319 HydrophobicContact CB-CG2 4.35Å; V315-V319 HydrophobicContact CG1-CB 4.11Å; V315-V319 HydrophobicContact CG1-CG2 4.29Å; V315-V319 HydrophobicContact CG2-CB 4.47Å; G317-V319 VanDerWaalsContact C-N 3.25Å; G317-V319 PolarHBondContact O-N 3.26Å; V319-L321 PolarHBondContact O-N 2.94Å
320Q93.9Very high95.4Very high194 Ų19464.4 Ų64.491%0.90735%0.349SS*.PPolyproline II helixtrans-74.3117.8171.6-175.1176.9-0.100110.1
321L96Very high95.4Very high23 Ų2362 Ų6212%0.1234%0.339CS..PPolyproline II helixtrans-93.4148.5178.9-60.9175.7000111.7L170 L311 E312 V315 V319L170-L321 HydrophobicContact CD1-CD2 3.64Å; L311-L321 HydrophobicContact CB-CD1 3.67Å; L311-L321 HydrophobicContact CB-CD2 4.38Å; E312-L321 HydrophobicContact CB-CD1 3.98Å; V315-L321 HydrophobicContact CG1-CD2 4.45Å; V315-L321 HydrophobicContact CG2-CD1 4.05Å; V315-L321 HydrophobicContact CG2-CG 4.29Å; V319-L321 PolarHBondContact O-N 2.94Å
322P95.4Very high95.3Very high19 Ų1963 Ų6312%0.12334%0.343CS..PPolyproline II helixtrans-55.8145.5167.6-21.632.8000111.2S236 I237 R308 L327S236-P322 WeakPolarHBondContact O-CG 3.32Å; I237-P322 HydrophobicContact CD1-CB 4.27Å; I237-P322 HydrophobicContact CD1-CG 4.03Å; R308-P322 WeakPolarHBondContact CD-O 3.46Å; R308-P322 PolarHBondContact NE-O 2.84Å; P322-L327 HydrophobicContact CB-CD2 3.9Å; P322-L327 HydrophobicContact CB-CG 4.06Å; P322-L327 HydrophobicContact CG-CD2 4.19Å
323D95.6Very high95.2Very high83 Ų8359.1 Ų59.144%0.44433%0.325SS..PPolyproline II helixtrans-72.7170.1173.362.232000111.9D325 S326 L327D323-D325 VanDerWaalsContact C-N 3.26Å; D323-D325 PolarHBondContact O-N 2.97Å; D323-D325 PolarHBondContact OD1-N 3.33Å; D323-S326 PolarHBondContact O-N 3.06Å; D323-S326 WeakPolarHBondContact OD1-CB 3.41Å; D323-S326 PolarHBondContact OD1-N 3.11Å; D323-S326 PolarHBondContact OD1-OG 3.04Å; D323-L327 WeakPolarHBondContact O-CG 3.42Å; D323-L327 PolarHBondContact O-N 3.13Å
324N96.6Very high95.1Very high65 Ų6553.8 Ų53.835%0.34830%0.3SS..Hα-helixtrans-60.9-34-177-71.9-31.7000113R308 W328R308-N324 WeakPolarHBondContact CD-OD1 3.39Å; N324-W328 VanDerWaalsContact O-CB 3.31Å; N324-W328 WeakPolarHBondContact O-CB 3.3Å; N324-W328 PolarHBondContact O-N 2.96Å
325D95.6Very high95.1Very high118 Ų11852.7 Ų52.763%0.63129%0.288SS*.Hα-helixtrans-74.1-38.6-179.1-70-23000111.2D323 W328 K329D323-D325 VanDerWaalsContact C-N 3.26Å; D323-D325 PolarHBondContact O-N 2.97Å; D323-D325 PolarHBondContact OD1-N 3.33Å; D325-W328 PolarHBondContact O-N 3.34Å; D325-K329 WeakPolarHBondContact O-CB 3.43Å; D325-K329 PolarHBondContact O-N 2.71Å
326S94.8Very high95.1Very high48 Ų4853.3 Ų53.334%0.33629%0.29SS..Hα-helixtrans-64.8-44.3173.3-59.30000111.3D323 K329 A330D323-S326 PolarHBondContact O-N 3.06Å; D323-S326 WeakPolarHBondContact OD1-CB 3.41Å; D323-S326 PolarHBondContact OD1-N 3.11Å; D323-S326 PolarHBondContact OD1-OG 3.04Å; S326-K329 PolarHBondContact O-N 3.11Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.1Å
327L96.6Very high95Very high2 Ų247 Ų471%0.0126%0.257CS..Hα-helixtrans-62.2-43.6173.7-70.7179.2000111.5I237 L280 R308 P322 D323 A330 Y331I237-L327 HydrophobicContact CD1-CD2 3.97Å; L280-L327 HydrophobicContact CD2-CD2 4.31Å; R308-L327 HydrophobicContact CB-CD1 3.63Å; R308-L327 HydrophobicContact CG-CD1 3.76Å; P322-L327 HydrophobicContact CB-CD2 3.9Å; P322-L327 HydrophobicContact CB-CG 4.06Å; P322-L327 HydrophobicContact CG-CD2 4.19Å; D323-L327 WeakPolarHBondContact O-CG 3.42Å; D323-L327 PolarHBondContact O-N 3.13Å; L327-A330 PolarHBondContact O-N 3.39Å; L327-Y331 VanDerWaalsContact O-CB 3.3Å; L327-Y331 WeakPolarHBondContact O-CB 3.48Å; L327-Y331 PolarHBondContact O-N 2.83Å
328W96.4Very high95Very high32 Ų3243.8 Ų43.812%0.12122%0.223CC..Hα-helixtrans-61.2-46.8177.2176.8-111.2000111.9E300 R301 L304 N324 D325 A330 Y331 K332 F382E300-W328 HydrophobicContact CB-CZ3 4.46Å; E300-W328 HydrophobicContact CG-CH2 4.08Å; E300-W328 HydrophobicContact CG-CZ3 3.94Å; E300-W328 WeakPolarHBondContact OE1-CH2 3.35Å; R301-W328 HydrophobicContact CG-CE3 4.01Å; R301-W328 HydrophobicContact CG-CH2 4.17Å; R301-W328 HydrophobicContact CG-CZ3 3.8Å; R301-W328 VanDerWaalsContact NH1-CZ2 3.28Å; R301-W328 VanDerWaalsContact NH1-NE1 3.11Å; L304-W328 HydrophobicContact CD1-CE3 3.54Å; L304-W328 HydrophobicContact CD1-CZ3 3.96Å; N324-W328 VanDerWaalsContact O-CB 3.31Å; N324-W328 WeakPolarHBondContact O-CB 3.3Å; N324-W328 PolarHBondContact O-N 2.96Å; D325-W328 PolarHBondContact O-N 3.34Å; W328-A330 PolarHBondContact O-N 3Å; W328-Y331 AromaticContact CE3-CD1 3.92Å; W328-Y331 HydrophobicContact CE3-CD1 3.92Å; W328-Y331 HydrophobicContact CH2-CD1 4.11Å; W328-Y331 HydrophobicContact CH2-CE1 4.07Å; W328-Y331 AromaticContact CZ3-CD1 3.51Å; W328-Y331 HydrophobicContact CZ3-CD1 3.51Å; W328-Y331 AromaticContact CZ3-CE1 3.68Å; W328-Y331 HydrophobicContact CZ3-CE1 3.68Å; W328-Y331 PolarHBondContact O-N 3.35Å; W328-K332 HydrophobicContact CH2-CG 4.48Å; W328-K332 HydrophobicContact CZ2-CD 3.94Å; W328-K332 HydrophobicContact CZ2-CG 4.01Å; W328-K332 PolarHBondContact O-N 2.85Å; W328-F382 HydrophobicContact CH2-CZ 4.39Å; W328-F382 HydrophobicContact CZ2-CE1 4.48Å
329K95.3Very high95.1Very high124 Ų12438.5 Ų38.554%0.53920%0.195SC..Hα-helixtrans-60.2-46177.1-175.7174.2-176.8171.30111.4D325 S326 Y331 K332 Q333D325-K329 WeakPolarHBondContact O-CB 3.43Å; D325-K329 PolarHBondContact O-N 2.71Å; S326-K329 PolarHBondContact O-N 3.11Å; K329-Y331 VanDerWaalsContact C-N 3.34Å; K329-K332 PolarHBondContact O-N 2.82Å; K329-Q333 WeakPolarHBondContact O-CG 3.26Å; K329-Q333 PolarHBondContact O-N 3.43Å
330A95.6Very high95.1Very high1 Ų136.7 Ų36.71%0.00818%0.183CC..Hα-helixtrans-69.5-31.4179.400000112.9I233 I237 L280 S326 L327 W328 Q333 T334I233-A330 HydrophobicContact CD1-CB 4.17Å; I237-A330 HydrophobicContact CD1-CB 3.49Å; I237-A330 VanDerWaalsContact CD1-CB 3.49Å; I237-A330 HydrophobicContact CG1-CB 3.43Å; I237-A330 VanDerWaalsContact CG1-CB 3.43Å; L280-A330 HydrophobicContact CD1-CB 3.48Å; L280-A330 VanDerWaalsContact CD1-CB 3.48Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.1Å; L327-A330 PolarHBondContact O-N 3.39Å; W328-A330 PolarHBondContact O-N 3Å; A330-Q333 CarbonylContact O-C 3.56Å; A330-Q333 PolarHBondContact O-N 3.43Å; A330-T334 VanDerWaalsContact O-CB 3.3Å; A330-T334 WeakPolarHBondContact O-CB 3.39Å; A330-T334 PolarHBondContact O-N 3.38Å; A330-T334 PolarHBondContact O-OG1 2.98Å
331Y96.8Very high95.1Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-61.3-50.9174.8166-98.1000110.3L280 C284 L287 E300 L304 L327 W328 K329 Q333 T334 F335 F382L280-Y331 VanDerWaalsContact CD1-N 3.35Å; C284-Y331 VanDerWaalsContact SG-CD2 3.56Å; L287-Y331 HydrophobicContact CD1-CE2 3.75Å; E300-Y331 HydrophobicContact CB-CE1 4.33Å; E300-Y331 WeakPolarHBondContact OE2-CE1 3.37Å; E300-Y331 PolarHBondContact OE2-OH 3.33Å; L304-Y331 HydrophobicContact CD1-CD1 4.05Å; L304-Y331 HydrophobicContact CD1-CD2 4.16Å; L304-Y331 HydrophobicContact CD1-CG 3.74Å; L304-Y331 HydrophobicContact CD2-CD2 4.28Å; L304-Y331 HydrophobicContact CD2-CG 4.47Å; L327-Y331 VanDerWaalsContact O-CB 3.3Å; L327-Y331 WeakPolarHBondContact O-CB 3.48Å; L327-Y331 PolarHBondContact O-N 2.83Å; W328-Y331 AromaticContact CE3-CD1 3.92Å; W328-Y331 HydrophobicContact CE3-CD1 3.92Å; W328-Y331 HydrophobicContact CH2-CD1 4.11Å; W328-Y331 HydrophobicContact CH2-CE1 4.07Å; W328-Y331 AromaticContact CZ3-CD1 3.51Å; W328-Y331 HydrophobicContact CZ3-CD1 3.51Å; W328-Y331 AromaticContact CZ3-CE1 3.68Å; W328-Y331 HydrophobicContact CZ3-CE1 3.68Å; W328-Y331 PolarHBondContact O-N 3.35Å; K329-Y331 VanDerWaalsContact C-N 3.34Å; Y331-Q333 PolarHBondContact O-N 2.98Å; Y331-T334 CarbonylContact O-C 3.56Å; Y331-T334 PolarHBondContact O-N 3.39Å; Y331-F335 HydrophobicContact CE1-CD2 4.39Å; Y331-F335 AromaticContact CE2-CD2 3.92Å; Y331-F335 HydrophobicContact CE2-CD2 3.92Å; Y331-F335 AromaticContact CZ-CD2 3.65Å; Y331-F335 WeakPolarHBondContact O-CB 3.42Å; Y331-F335 PolarHBondContact O-N 3.24Å; Y331-F335 WeakPolarHBondContact OH-CD2 3.48Å; Y331-F382 AromaticContact CE1-CE2 4Å; Y331-F382 HydrophobicContact CE1-CE2 4Å; Y331-F382 HydrophobicContact CE1-CZ 4.02Å
332K95.8Very high94.9Very high23 Ų2326.4 Ų26.410%0.114%0.135CC..Hα-helixtrans-56.1-40.4175.3-65.4-166.1-65.7160.10112.2W328 K329 T334 F382 E385W328-K332 HydrophobicContact CH2-CG 4.48Å; W328-K332 HydrophobicContact CZ2-CD 3.94Å; W328-K332 HydrophobicContact CZ2-CG 4.01Å; W328-K332 PolarHBondContact O-N 2.85Å; K329-K332 PolarHBondContact O-N 2.82Å; K332-T334 VanDerWaalsContact C-N 3.25Å; K332-T334 PolarHBondContact O-N 3.13Å; K332-F382 HydrophobicContact CB-CB 4.16Å; K332-F382 HydrophobicContact CB-CD1 4.11Å; K332-F382 HydrophobicContact CB-CD2 4.28Å; K332-F382 HydrophobicContact CB-CG 3.93Å; K332-F382 HydrophobicContact CD-CD1 3.63Å; K332-F382 HydrophobicContact CD-CE1 3.89Å; K332-F382 HydrophobicContact CD-CG 4.31Å; K332-F382 HydrophobicContact CG-CD1 3.68Å; K332-F382 HydrophobicContact CG-CD2 4.38Å; K332-F382 HydrophobicContact CG-CE1 3.79Å; K332-F382 HydrophobicContact CG-CE2 4.47Å; K332-F382 HydrophobicContact CG-CG 4Å; K332-F382 HydrophobicContact CG-CZ 4.19Å; K332-E385 WeakPolarHBondContact CD-OE2 3.43Å; K332-E385 WeakPolarHBondContact CE-OE2 3.31Å; K332-E385 IonicContact NZ-OE2 2.85Å; K332-E385 PolarHBondContact NZ-OE2 3.42Å
333Q94.6Very high94.8Very high20 Ų2025.5 Ų25.59%0.09313%0.129CC..Hα-helixtrans-73.3-14.7178.8-69.4176.4-10.700113.9W229 K232 I233 K329 A330 Y331 W336 N386W229-Q333 PolarHBondContact NE1-O 3.18Å; K232-Q333 VanDerWaalsContact NZ-NE2 3.17Å; I233-Q333 HydrophobicContact CD1-CB 3.84Å; K329-Q333 WeakPolarHBondContact O-CG 3.26Å; K329-Q333 PolarHBondContact O-N 3.43Å; A330-Q333 CarbonylContact O-C 3.56Å; A330-Q333 PolarHBondContact O-N 3.43Å; Y331-Q333 PolarHBondContact O-N 2.98Å; Q333-W336 VanDerWaalsContact O-CD1 3.22Å; Q333-W336 PolarHBondContact O-NE1 3Å; Q333-N386 PolarHBondContact NE2-OD1 3.32Å; Q333-N386 VanDerWaalsContact NE2-OD1 3.12Å
334T95.1Very high94.6Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-105.6-28.9-178.4-570000112.3W229 L280 E281 A330 Y331 K332 W336 L337W229-T334 HydrophobicContact CZ2-CG2 3.77Å; L280-T334 HydrophobicContact CB-CG2 4.31Å; E281-T334 HydrophobicContact CG-CG2 4.14Å; A330-T334 VanDerWaalsContact O-CB 3.3Å; A330-T334 WeakPolarHBondContact O-CB 3.39Å; A330-T334 PolarHBondContact O-N 3.38Å; A330-T334 PolarHBondContact O-OG1 2.98Å; Y331-T334 CarbonylContact O-C 3.56Å; Y331-T334 PolarHBondContact O-N 3.39Å; K332-T334 VanDerWaalsContact C-N 3.25Å; K332-T334 PolarHBondContact O-N 3.13Å; T334-W336 VanDerWaalsContact C-N 3.25Å; T334-W336 PolarHBondContact O-N 2.79Å; T334-W336 VanDerWaalsContact O-N 3.11Å; T334-L337 HydrophobicContact CG2-CD1 4.42Å; T334-L337 WeakPolarHBondContact O-CB 3.4Å; T334-L337 PolarHBondContact O-N 2.9Å
335F96.2Very high94.2Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-53.7-39.5-170.3-174.7-95.1000113.7Y331 L337 R338 G339 D378 S379 F382Y331-F335 HydrophobicContact CE1-CD2 4.39Å; Y331-F335 AromaticContact CE2-CD2 3.92Å; Y331-F335 HydrophobicContact CE2-CD2 3.92Å; Y331-F335 AromaticContact CZ-CD2 3.65Å; Y331-F335 WeakPolarHBondContact O-CB 3.42Å; Y331-F335 PolarHBondContact O-N 3.24Å; Y331-F335 WeakPolarHBondContact OH-CD2 3.48Å; F335-L337 PolarHBondContact O-N 2.71Å; F335-L337 VanDerWaalsContact O-N 3.11Å; F335-R338 PolarHBondContact O-N 2.76Å; F335-G339 PolarHBondContact O-N 3.48Å; F335-D378 HydrophobicContact CD1-CB 4.48Å; F335-D378 HydrophobicContact CE1-CB 3.75Å; F335-D378 HydrophobicContact CZ-CB 4.26Å; F335-S379 WeakPolarHBondContact CD1-OG 3.38Å; F335-F382 HydrophobicContact CB-CD2 3.84Å; F335-F382 HydrophobicContact CB-CE2 3.91Å; F335-F382 AromaticContact CD1-CD2 3.99Å; F335-F382 HydrophobicContact CD1-CD2 3.99Å; F335-F382 AromaticContact CD1-CE2 3.92Å; F335-F382 HydrophobicContact CD1-CE2 3.92Å; F335-F382 HydrophobicContact CD2-CE2 4.37Å; F335-F382 HydrophobicContact CG-CD2 4.05Å; F335-F382 AromaticContact CG-CE2 3.8Å; F335-F382 HydrophobicContact CG-CE2 3.8Å
336W94.6Very high93.9Very high15 Ų1513.8 Ų13.86%0.0577%0.066CC..Hα-helixtrans-56.6-29.6-178.771.7-90.8000114K220 Y221 I226 W229 Q333 T334 R338 L340 F383K220-W336 HydrophobicContact CB-CE3 3.9Å; K220-W336 HydrophobicContact CB-CH2 4.36Å; K220-W336 HydrophobicContact CB-CZ3 3.68Å; K220-W336 VanDerWaalsContact O-CH2 3.31Å; K220-W336 WeakPolarHBondContact O-CH2 3.48Å; K220-W336 WeakPolarHBondContact O-CZ3 3.46Å; Y221-W336 AromaticContact CD2-CZ3 3.97Å; Y221-W336 HydrophobicContact CD2-CZ3 3.97Å; Y221-W336 HydrophobicContact CE1-CZ3 4.46Å; Y221-W336 AromaticContact CE2-CE3 3.94Å; Y221-W336 HydrophobicContact CE2-CE3 3.94Å; Y221-W336 AromaticContact CE2-CZ3 3.75Å; Y221-W336 HydrophobicContact CE2-CZ3 3.75Å; Y221-W336 HydrophobicContact CG-CZ3 4.4Å; Y221-W336 PolarHBondContact OH-O 3.46Å; I226-W336 HydrophobicContact CG1-CH2 4.15Å; W229-W336 HydrophobicContact CB-CZ2 4.03Å; W229-W336 AromaticContact CD1-NE1 3.63Å; W229-W336 AromaticContact CG-CZ2 3.98Å; W229-W336 HydrophobicContact CG-CZ2 3.98Å; Q333-W336 VanDerWaalsContact O-CD1 3.22Å; Q333-W336 PolarHBondContact O-NE1 3Å; T334-W336 VanDerWaalsContact C-N 3.25Å; T334-W336 PolarHBondContact O-N 2.79Å; T334-W336 VanDerWaalsContact O-N 3.11Å; W336-R338 PolarHBondContact O-N 2.93Å; W336-L340 HydrophobicContact CB-CD1 4.17Å; W336-L340 HydrophobicContact CB-CG 4.31Å; W336-L340 HydrophobicContact CE3-CD1 4.31Å; W336-L340 VanDerWaalsContact O-CB 3.25Å; W336-L340 WeakPolarHBondContact O-CB 3.12Å; W336-L340 WeakPolarHBondContact O-CG 3.5Å; W336-L340 PolarHBondContact O-N 3.42Å; W336-L340 VanDerWaalsContact O-N 3.09Å; W336-F383 HydrophobicContact CB-CE1 3.56Å; W336-F383 HydrophobicContact CB-CZ 3.43Å; W336-F383 VanDerWaalsContact CB-CZ 3.43Å; W336-F383 AromaticContact CD1-CE1 3.83Å; W336-F383 HydrophobicContact CD2-CE1 4.46Å; W336-F383 HydrophobicContact CD2-CZ 4.37Å; W336-F383 AromaticContact CG-CE1 3.66Å; W336-F383 HydrophobicContact CG-CE1 3.66Å; W336-F383 AromaticContact CG-CZ 3.79Å; W336-F383 HydrophobicContact CG-CZ 3.79Å
337L92.6Very high93.5Very high0 Ų011.8 Ų11.80%05%0.052CC..Hα-helixtrans-63.9-24.9177.9-76.6172.7000113.4L187 Y221 W229 T334 F335 M341L187-L337 HydrophobicContact CD1-CD2 4.04Å; L187-L337 HydrophobicContact CD2-CD2 4.47Å; Y221-L337 WeakPolarHBondContact OH-CA 3.41Å; Y221-L337 PolarHBondContact OH-O 2.93Å; W229-L337 HydrophobicContact CD2-CD1 3.63Å; W229-L337 HydrophobicContact CD2-CG 4.48Å; W229-L337 HydrophobicContact CE3-CD1 3.65Å; W229-L337 HydrophobicContact CH2-CD1 3.24Å; W229-L337 HydrophobicContact CZ2-CD1 3.2Å; W229-L337 HydrophobicContact CZ3-CD1 3.46Å; W229-L337 VanDerWaalsContact CZ3-CD1 3.46Å; T334-L337 HydrophobicContact CG2-CD1 4.42Å; T334-L337 WeakPolarHBondContact O-CB 3.4Å; T334-L337 PolarHBondContact O-N 2.9Å; F335-L337 PolarHBondContact O-N 2.71Å; F335-L337 VanDerWaalsContact O-N 3.11Å; L337-M341 WeakPolarHBondContact O-CB 3.49Å
338R91.8Very high92.8Very high2 Ų214.5 Ų14.51%0.0087%0.069CC..Hα-helixtrans-114.2-37.1-177.2-55.1-58.9-179.8-167.5-2.8111.1H244 E281 C284 S285 W289 F335 W336 L342H244-R338 VanDerWaalsContact CB-NH2 3.29Å; H244-R338 PolarHBondContact ND1-NH2 3.45Å; H244-R338 VanDerWaalsContact ND1-NH2 3.18Å; H244-R338 PolarHBondContact O-NE 2.85Å; H244-R338 VanDerWaalsContact O-NE 3.13Å; H244-R338 PolarHBondContact O-NH1 2.84Å; H244-R338 PolarHBondContact O-NH2 3.11Å; E281-R338 IonicContact OE2-CZ 2.9Å; E281-R338 IonicContact OE2-NH2 3.68Å; E281-R338 PolarHBondContact OE2-NH2 3Å; C284-R338 HydrophobicContact CB-CB 4.18Å; C284-R338 HydrophobicContact CB-CG 3.99Å; S285-R338 WeakPolarHBondContact OG-CD 3.36Å; S285-R338 WeakPolarHBondContact OG-CG 3.07Å; S285-R338 PolarHBondContact OG-NE 3.23Å; W289-R338 PolarHBondContact NE1-O 3.47Å; F335-R338 PolarHBondContact O-N 2.76Å; W336-R338 PolarHBondContact O-N 2.93Å; R338-L342 PolarHBondContact O-N 3.45Å
339G94.2Very high92.1Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-61-52.6174.400000112.7F335 M341 L342 C375F335-G339 PolarHBondContact O-N 3.48Å; G339-M341 VanDerWaalsContact C-N 3.35Å; G339-M341 PolarHBondContact O-N 2.94Å; G339-L342 PolarHBondContact O-N 2.89Å; G339-C375 WeakPolarHBondContact O-CB 3.32Å
340L94.5Very high91.3Very high1 Ų18.8 Ų8.81%0.0055%0.046CC..Hα-helixtrans-70.4-32.6-180-59.3-175.9000112.4I217 K220 Y221 W336 L342 L343 Y376 F383I217-L340 HydrophobicContact CG1-CD1 4.35Å; I217-L340 HydrophobicContact CG1-CD2 4.23Å; I217-L340 HydrophobicContact CG2-CB 4.19Å; I217-L340 HydrophobicContact CG2-CD1 4.48Å; K220-L340 HydrophobicContact CG-CD1 4.48Å; Y221-L340 HydrophobicContact CE2-CB 3.95Å; Y221-L340 HydrophobicContact CE2-CD1 4.41Å; W336-L340 HydrophobicContact CB-CD1 4.17Å; W336-L340 HydrophobicContact CB-CG 4.31Å; W336-L340 HydrophobicContact CE3-CD1 4.31Å; W336-L340 VanDerWaalsContact O-CB 3.25Å; W336-L340 WeakPolarHBondContact O-CB 3.12Å; W336-L340 WeakPolarHBondContact O-CG 3.5Å; W336-L340 PolarHBondContact O-N 3.42Å; W336-L340 VanDerWaalsContact O-N 3.09Å; L340-L342 PolarHBondContact O-N 3.49Å; L340-L343 PolarHBondContact O-N 3.29Å; L340-Y376 HydrophobicContact CD2-CD2 3.78Å; L340-Y376 HydrophobicContact CD2-CG 4.49Å; L340-F383 HydrophobicContact CD1-CE2 4.29Å; L340-F383 HydrophobicContact CD1-CZ 4.15Å
341M92.4Very high90.2Very high1 Ų115 Ų151%0.0058%0.075CC..Hα-helixtrans-59.3-36.8177.1-173.4176.773.300111.7L190 M194 Y221 Q245 W289 L337 G339 L343 G344 M345L190-M341 HydrophobicContact CD1-SD 4.1Å; M194-M341 HydrophobicContact CG-CG 4.5Å; M194-M341 HydrophobicContact SD-CB 4.17Å; M194-M341 HydrophobicContact SD-CG 3.99Å; Y221-M341 PolarHBondContact OH-N 2.75Å; Q245-M341 HydrophobicContact CG-CE 4.34Å; W289-M341 HydrophobicContact CH2-CE 3.83Å; W289-M341 HydrophobicContact CH2-CG 4.45Å; W289-M341 HydrophobicContact CZ2-CB 4.19Å; W289-M341 HydrophobicContact CZ2-CE 3.34Å; W289-M341 HydrophobicContact CZ2-CG 3.94Å; W289-M341 HydrophobicContact CZ2-SD 4.45Å; W289-M341 HydrophobicContact CZ3-CE 4.47Å; L337-M341 WeakPolarHBondContact O-CB 3.49Å; G339-M341 VanDerWaalsContact C-N 3.35Å; G339-M341 PolarHBondContact O-N 2.94Å; M341-L343 VanDerWaalsContact C-N 3.27Å; M341-L343 PolarHBondContact O-N 3.45Å; M341-G344 PolarHBondContact O-N 2.9Å; M341-G344 VanDerWaalsContact O-N 3.13Å; M341-M345 HydrophobicContact CG-CG 4.1Å; M341-M345 WeakPolarHBondContact O-CG 3.44Å; M341-M345 PolarHBondContact O-N 3.07Å
342L92.7Very high88.7Confident0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-59.3-40.3179.7-177.555000111.6W247 W289 R338 G339 L340 G344 M345 I346 L349 R371 A372W247-L342 HydrophobicContact CH2-CD1 3.79Å; W247-L342 HydrophobicContact CZ3-CD1 3.72Å; W289-L342 HydrophobicContact CD2-CD1 4.24Å; W289-L342 HydrophobicContact CH2-CD1 4.32Å; W289-L342 VanDerWaalsContact CZ2-CA 3.45Å; W289-L342 HydrophobicContact CZ2-CB 3.9Å; W289-L342 HydrophobicContact CZ2-CD1 4.01Å; R338-L342 PolarHBondContact O-N 3.45Å; G339-L342 PolarHBondContact O-N 2.89Å; L340-L342 PolarHBondContact O-N 3.49Å; L342-G344 VanDerWaalsContact C-N 3.29Å; L342-G344 PolarHBondContact O-N 3.28Å; L342-M345 PolarHBondContact O-N 3.28Å; L342-M345 VanDerWaalsContact O-N 3.13Å; L342-I346 HydrophobicContact CD1-CD1 4.1Å; L342-I346 WeakPolarHBondContact O-CB 3.24Å; L342-I346 PolarHBondContact O-N 3.12Å; L342-L349 HydrophobicContact CD1-CD1 3.98Å; L342-R371 HydrophobicContact CD2-CG 4.14Å; L342-A372 HydrophobicContact CD2-CB 4.28Å; L342-A372 HydrophobicContact CG-CB 3.92Å
343L92.8Very high86.6Confident0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-64.3-35179-164.168.3000112.5L198 M201 V212 I217 L340 M341 A372 I373L198-L343 HydrophobicContact CD2-CB 4.15Å; L198-L343 HydrophobicContact CD2-CD2 4.02Å; L198-L343 HydrophobicContact CD2-CG 3.94Å; M201-L343 HydrophobicContact CE-CD1 3.77Å; M201-L343 WeakPolarHBondContact CG-O 3.3Å; V212-L343 HydrophobicContact CB-CD2 4.44Å; V212-L343 HydrophobicContact CG1-CD2 3.5Å; V212-L343 VanDerWaalsContact CG1-CD2 3.5Å; V212-L343 HydrophobicContact CG2-CD2 4.05Å; I217-L343 HydrophobicContact CD1-CD2 3.77Å; L340-L343 PolarHBondContact O-N 3.29Å; M341-L343 VanDerWaalsContact C-N 3.27Å; M341-L343 PolarHBondContact O-N 3.45Å; L343-A372 HydrophobicContact CD1-CB 3.83Å; L343-I373 HydrophobicContact CD1-CG1 4.29Å
344G91.3Very high84.8Confident0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-75.2-28.5173.200000113.5G197 M341 L342G197-G344 VanDerWaalsContact CA-O 3.27Å; G197-G344 WeakPolarHBondContact CA-O 3.49Å; M341-G344 PolarHBondContact O-N 2.9Å; M341-G344 VanDerWaalsContact O-N 3.13Å; L342-G344 VanDerWaalsContact C-N 3.29Å; L342-G344 PolarHBondContact O-N 3.28Å
345M89.3Confident83.1Confident20 Ų2022.3 Ų22.310%0.09913%0.128CC..Hα-helixtrans-93.3-19.2-176.8-65.6-60.1103.700113.8T193 M194 W289 M341 L342 P347 T348 L349T193-M345 VanDerWaalsContact C-CE 3.48Å; T193-M345 HydrophobicContact CG2-CE 3.46Å; T193-M345 VanDerWaalsContact CG2-CE 3.46Å; T193-M345 HydrophobicContact CG2-SD 3.83Å; M194-M345 HydrophobicContact CB-CE 4.13Å; M194-M345 HydrophobicContact CG-CE 3.54Å; W289-M345 HydrophobicContact CH2-CB 3.58Å; W289-M345 HydrophobicContact CH2-CG 3.71Å; W289-M345 HydrophobicContact CZ2-CB 4.3Å; W289-M345 HydrophobicContact CZ2-CG 4.35Å; M341-M345 HydrophobicContact CG-CG 4.1Å; M341-M345 WeakPolarHBondContact O-CG 3.44Å; M341-M345 PolarHBondContact O-N 3.07Å; L342-M345 PolarHBondContact O-N 3.28Å; L342-M345 VanDerWaalsContact O-N 3.13Å; M345-P347 VanDerWaalsContact C-CD 3.41Å; M345-T348 PolarHBondContact O-N 3.39Å; M345-L349 HydrophobicContact CB-CD1 4.17Å; M345-L349 WeakPolarHBondContact O-CG 3.41Å; M345-L349 PolarHBondContact O-N 3.06Å; M345-L349 VanDerWaalsContact O-N 3.14Å
346I89Confident81.3Confident0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-55.4-39.3-173.2-156.861.8000113.5M201 L342 T348 L349 L350 M368 L369 A372M201-I346 HydrophobicContact CE-CG2 3.83Å; M201-I346 HydrophobicContact CG-CG2 3.92Å; M201-I346 HydrophobicContact SD-CG2 3.22Å; M201-I346 WeakPolarHBondContact SD-CG2 3.27Å; L342-I346 HydrophobicContact CD1-CD1 4.1Å; L342-I346 WeakPolarHBondContact O-CB 3.24Å; L342-I346 PolarHBondContact O-N 3.12Å; I346-T348 VanDerWaalsContact C-N 3.28Å; I346-T348 PolarHBondContact O-N 2.97Å; I346-L349 HydrophobicContact CD1-CB 4.37Å; I346-L349 HydrophobicContact CD1-CD1 4.26Å; I346-L349 PolarHBondContact O-N 3.36Å; I346-L349 VanDerWaalsContact O-N 3.07Å; I346-L350 HydrophobicContact CD1-CD2 4.44Å; I346-L350 HydrophobicContact CG1-CD1 4.41Å; I346-L350 HydrophobicContact CG1-CD2 4.36Å; I346-L350 HydrophobicContact CG1-CG 4.16Å; I346-L350 VanDerWaalsContact O-CG 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.29Å; I346-L350 PolarHBondContact O-N 3.22Å; I346-M368 HydrophobicContact CD1-CB 4.07Å; I346-M368 HydrophobicContact CD1-CE 3.81Å; I346-L369 HydrophobicContact CG1-CD2 4.45Å; I346-L369 HydrophobicContact CG2-CD2 4.14Å; I346-A372 HydrophobicContact CB-CB 4.22Å; I346-A372 HydrophobicContact CG1-CB 4.24Å; I346-A372 HydrophobicContact CG2-CB 4.26Å
347P86.6Confident79.8Confident7 Ų732 Ų325%0.04518%0.176CC..Hα-helixtrans-64.6-31.3179.3-22.236.1000113.8G197 N200 M201 M345 Q351G197-P347 WeakPolarHBondContact O-CG 3.45Å; N200-P347 HydrophobicContact CB-CB 4.22Å; N200-P347 HydrophobicContact CB-CG 4.14Å; M201-P347 HydrophobicContact CG-CG 3.65Å; M201-P347 HydrophobicContact SD-CG 3.94Å; M345-P347 VanDerWaalsContact C-CD 3.41Å; P347-Q351 WeakPolarHBondContact O-CG 3.34Å; P347-Q351 PolarHBondContact O-NE2 2.94Å
348T81.4Confident78.7Confident59 Ų5933.4 Ų33.436%0.36219%0.186SC..Hα-helixtrans-72.7-40175-58.30000110M345 I346 Q351M345-T348 PolarHBondContact O-N 3.39Å; I346-T348 VanDerWaalsContact C-N 3.28Å; I346-T348 PolarHBondContact O-N 2.97Å; T348-Q351 PolarHBondContact O-N 3.39Å
349L81.3Confident77.9Confident26 Ų2643 Ų4314%0.13623%0.231CC..Hα-helixtrans-67.2-38178.8-64.9166.6000112.1W247 W289 L342 M345 I346 Q351 T352W247-L349 HydrophobicContact CH2-CD1 3.42Å; W247-L349 VanDerWaalsContact CH2-CD1 3.42Å; W247-L349 HydrophobicContact CH2-CG 4.47Å; W247-L349 HydrophobicContact CZ2-CB 4.48Å; W247-L349 HydrophobicContact CZ2-CD1 3.65Å; W247-L349 HydrophobicContact CZ2-CD2 3.95Å; W247-L349 HydrophobicContact CZ2-CG 4.24Å; W247-L349 HydrophobicContact CZ3-CD1 3.98Å; W289-L349 HydrophobicContact CH2-CD1 4.36Å; W289-L349 HydrophobicContact CZ3-CD1 4.16Å; L342-L349 HydrophobicContact CD1-CD1 3.98Å; M345-L349 HydrophobicContact CB-CD1 4.17Å; M345-L349 WeakPolarHBondContact O-CG 3.41Å; M345-L349 PolarHBondContact O-N 3.06Å; M345-L349 VanDerWaalsContact O-N 3.14Å; I346-L349 HydrophobicContact CD1-CB 4.37Å; I346-L349 HydrophobicContact CD1-CD1 4.26Å; I346-L349 PolarHBondContact O-N 3.36Å; I346-L349 VanDerWaalsContact O-N 3.07Å; L349-Q351 PolarHBondContact O-N 2.78Å; L349-T352 WeakPolarHBondContact O-CB 3.33Å; L349-T352 WeakPolarHBondContact O-CG2 3.45Å; L349-T352 PolarHBondContact O-N 2.9Å; L349-T352 VanDerWaalsContact O-N 3.08Å; L349-T352 PolarHBondContact O-OG1 3.16Å
350L79.7Confident77.3Confident9 Ų947.3 Ų47.35%0.04725%0.254CS..THydrogen-bonded Turntrans-66.7-16.3176-63.5-176000113.6I346 T352 L355 N356 K365 M368 L369I346-L350 HydrophobicContact CD1-CD2 4.44Å; I346-L350 HydrophobicContact CG1-CD1 4.41Å; I346-L350 HydrophobicContact CG1-CD2 4.36Å; I346-L350 HydrophobicContact CG1-CG 4.16Å; I346-L350 VanDerWaalsContact O-CG 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.29Å; I346-L350 PolarHBondContact O-N 3.22Å; L350-T352 VanDerWaalsContact C-N 3.31Å; L350-L355 HydrophobicContact CD2-CD1 3.59Å; L350-N356 PolarHBondContact O-ND2 2.76Å; L350-N356 PolarHBondContact O-OD1 3.49Å; L350-K365 HydrophobicContact CD2-CB 4.43Å; L350-K365 HydrophobicContact CD2-CG 4.15Å; L350-M368 HydrophobicContact CD2-CB 3.69Å; L350-M368 HydrophobicContact CD2-CG 4.31Å; L350-L369 HydrophobicContact CD1-CD1 4.45Å; L350-L369 HydrophobicContact CD1-CD2 3.83Å; L350-L369 HydrophobicContact CD1-CG 3.99Å
351Q71Confident76.8Confident133 Ų13350.2 Ų50.262%0.62127%0.268SS*.THydrogen-bonded Turntrans-83.7-7.4174.3-69.2171.835.900112.8P347 T348 L349 N356P347-Q351 WeakPolarHBondContact O-CG 3.34Å; P347-Q351 PolarHBondContact O-NE2 2.94Å; T348-Q351 PolarHBondContact O-N 3.39Å; L349-Q351 PolarHBondContact O-N 2.78Å; Q351-N356 PolarHBondContact O-ND2 3.23Å
352T65.9Low76.5Confident46 Ų4655.9 Ų55.928%0.28229%0.294SS..SBendtrans-68.6139.6177.861.80000111.3L349 L350 A354 L355 N356L349-T352 WeakPolarHBondContact O-CB 3.33Å; L349-T352 WeakPolarHBondContact O-CG2 3.45Å; L349-T352 PolarHBondContact O-N 2.9Å; L349-T352 VanDerWaalsContact O-N 3.08Å; L349-T352 PolarHBondContact O-OG1 3.16Å; L350-T352 VanDerWaalsContact C-N 3.31Å; T352-A354 PolarHBondContact O-N 3.32Å; T352-L355 PolarHBondContact O-N 3.31Å; T352-N356 PolarHBondContact O-ND2 2.92Å
353T52.2Low76.3Confident97 Ų9761.8 Ų61.860%0.59532%0.321SS*.Hα-helixtrans-56.3-33.5-173.3420000113.4L355 N356 E357T353-L355 PolarHBondContact O-N 3.04Å; T353-L355 VanDerWaalsContact O-N 3.07Å; T353-N356 PolarHBondContact O-N 2.85Å; T353-E357 PolarHBondContact O-N 3.14Å
354A56.6Low76.2Confident52 Ų5263.2 Ų63.243%0.4333%0.328SS..Hα-helixtrans-56.8-26.9-179.900000114.3T352T352-A354 PolarHBondContact O-N 3.32Å
355L58.7Low76.1Confident1 Ų164.7 Ų64.71%0.00533%0.334CS..Hα-helixtrans-90.3-30.6175.5-71.4172.1000113.2I146 L350 T352 T353 E361 K364 M368I146-L355 HydrophobicContact CD1-CD1 3.8Å; I146-L355 HydrophobicContact CD1-CD2 4.31Å; I146-L355 HydrophobicContact CD1-CG 3.98Å; I146-L355 HydrophobicContact CG1-CD1 4.32Å; I146-L355 HydrophobicContact CG1-CD2 3.92Å; I146-L355 HydrophobicContact CG1-CG 4.11Å; L350-L355 HydrophobicContact CD2-CD1 3.59Å; T352-L355 PolarHBondContact O-N 3.31Å; T353-L355 PolarHBondContact O-N 3.04Å; T353-L355 VanDerWaalsContact O-N 3.07Å; L355-E361 WeakPolarHBondContact O-CB 3.47Å; L355-E361 WeakPolarHBondContact O-CG 3.43Å; L355-K364 HydrophobicContact CD2-CB 3.73Å; L355-K364 HydrophobicContact CD2-CD 4.29Å; L355-M368 HydrophobicContact CD1-CG 4.44Å; L355-M368 HydrophobicContact CD2-CG 4.48Å
356N58.6Low76.1Confident53 Ų5365 Ų6528%0.28334%0.338SS..Hα-helixtrans-89.91.2-167.4-64.1-42.9000114.3L350 Q351 T352 T353 E361 K365L350-N356 PolarHBondContact O-ND2 2.76Å; L350-N356 PolarHBondContact O-OD1 3.49Å; Q351-N356 PolarHBondContact O-ND2 3.23Å; T352-N356 PolarHBondContact O-ND2 2.92Å; T353-N356 PolarHBondContact O-N 2.85Å; N356-E361 PolarHBondContact OD1-OE1 3.44Å; N356-K365 WeakPolarHBondContact OD1-CE 3.18Å; N356-K365 PolarHBondContact OD1-NZ 3.48Å
357E63.5Low76.3Confident164 Ų16467.8 Ų67.877%0.76635%0.352SS*.THydrogen-bonded Turntrans-117.33.2-175.9-66.3-177.5-17600113.9T353T353-E357 PolarHBondContact O-N 3.14Å
358S70.1Confident76.5Confident31 Ų3167.5 Ų67.522%0.21735%0.35CS..SBendtrans-100149.2178.865.70000113.2D360 E361 K364S358-D360 PolarHBondContact O-N 2.76Å; S358-D360 VanDerWaalsContact O-N 3.08Å; S358-E361 WeakPolarHBondContact O-CB 2.94Å; S358-E361 PolarHBondContact O-N 3.47Å; S358-K364 PolarHBondContact OG-NZ 2.77Å
359E74.4Confident77.1Confident202 Ų20264.7 Ų64.794%0.94433%0.333SS*.THydrogen-bonded Turntrans-54.8-28.3176.1-66.4-175.4166.800113
360D82.4Confident77.6Confident91 Ų9168 Ų6849%0.48735%0.347SS..THydrogen-bonded Turntrans-99.424.2-178.7-52-42.2000113.6S358 E362 E363 K364S358-D360 PolarHBondContact O-N 2.76Å; S358-D360 VanDerWaalsContact O-N 3.08Å; D360-E362 VanDerWaalsContact C-N 3.34Å; D360-E362 PolarHBondContact O-N 2.92Å; D360-E363 HydrophobicContact CB-CB 4.5Å; D360-E363 PolarHBondContact O-N 3.43Å; D360-E363 VanDerWaalsContact O-N 3.13Å; D360-K364 WeakPolarHBondContact O-CG 3.3Å; D360-K364 PolarHBondContact O-N 3.36Å
361E83Confident78.3Confident63 Ų6367.6 Ų67.629%0.29435%0.345SS..Hα-helixtrans-46.3-49.8-175.8171.6-178.1170.400113.8L355 N356 S358 E363 K364 K365L355-E361 WeakPolarHBondContact O-CB 3.47Å; L355-E361 WeakPolarHBondContact O-CG 3.43Å; N356-E361 PolarHBondContact OD1-OE1 3.44Å; S358-E361 WeakPolarHBondContact O-CB 2.94Å; S358-E361 PolarHBondContact O-N 3.47Å; E361-E363 PolarHBondContact O-N 2.92Å; E361-K364 PolarHBondContact O-N 3.42Å; E361-K365 HydrophobicContact CG-CD 4.04Å; E361-K365 WeakPolarHBondContact O-CB 3.44Å; E361-K365 VanDerWaalsContact O-CG 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.43Å; E361-K365 PolarHBondContact O-N 2.93Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 2.79Å; E361-K365 PolarHBondContact OE1-NZ 2.87Å
362E86.3Confident79.5Confident119 Ų11961.2 Ų61.256%0.55632%0.315SS*.Hα-helixtrans-69.4-34.6-175.7-173.158.7-156.600112.6D360 T366D360-E362 VanDerWaalsContact C-N 3.34Å; D360-E362 PolarHBondContact O-N 2.92Å; E362-T366 WeakPolarHBondContact O-CB 3.34Å; E362-T366 PolarHBondContact O-N 3.12Å; E362-T366 PolarHBondContact O-OG1 2.9Å
363E89.4Confident80.9Confident124 Ų12460.2 Ų60.258%0.57931%0.308SS*.Hα-helixtrans-66.2-46.8174.3-178.4172.9177.400110.1D360 E361 K365 T366 I367D360-E363 HydrophobicContact CB-CB 4.5Å; D360-E363 PolarHBondContact O-N 3.43Å; D360-E363 VanDerWaalsContact O-N 3.13Å; E361-E363 PolarHBondContact O-N 2.92Å; E363-K365 PolarHBondContact O-N 3.22Å; E363-T366 WeakPolarHBondContact O-CB 3.37Å; E363-T366 PolarHBondContact O-N 2.93Å; E363-T366 VanDerWaalsContact O-N 3.14Å; E363-I367 HydrophobicContact CG-CD1 4.11Å; E363-I367 WeakPolarHBondContact O-CG1 3.3Å; E363-I367 PolarHBondContact O-N 3.26Å
364K89Confident83Confident31 Ų3155.9 Ų55.914%0.13528%0.282CS..Hα-helixtrans-62.8-41.5177.3-64.4-173178.9169.30112.4D145 S147 L355 S358 D360 E361 T366 I367 M368D145-K364 WeakPolarHBondContact OD2-CE 3.43Å; D145-K364 IonicContact OD2-NZ 2.66Å; S147-K364 WeakPolarHBondContact OG-CG 3.28Å; L355-K364 HydrophobicContact CD2-CB 3.73Å; L355-K364 HydrophobicContact CD2-CD 4.29Å; S358-K364 PolarHBondContact OG-NZ 2.77Å; D360-K364 WeakPolarHBondContact O-CG 3.3Å; D360-K364 PolarHBondContact O-N 3.36Å; E361-K364 PolarHBondContact O-N 3.42Å; K364-T366 VanDerWaalsContact C-N 3.33Å; K364-T366 PolarHBondContact O-N 3.23Å; K364-I367 PolarHBondContact O-N 3.37Å; K364-M368 WeakPolarHBondContact O-CB 3.49Å; K364-M368 VanDerWaalsContact O-CG 3.28Å; K364-M368 WeakPolarHBondContact O-CG 3.27Å; K364-M368 PolarHBondContact O-N 3.14Å
365K89Confident84.9Confident30 Ų3053.4 Ų53.413%0.1326%0.262CS..Hα-helixtrans-59-45.3172.6-76.7177.9175176.20111.2L350 N356 E361 E363 M368 L369L350-K365 HydrophobicContact CD2-CB 4.43Å; L350-K365 HydrophobicContact CD2-CG 4.15Å; N356-K365 WeakPolarHBondContact OD1-CE 3.18Å; N356-K365 PolarHBondContact OD1-NZ 3.48Å; E361-K365 HydrophobicContact CG-CD 4.04Å; E361-K365 WeakPolarHBondContact O-CB 3.44Å; E361-K365 VanDerWaalsContact O-CG 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.43Å; E361-K365 PolarHBondContact O-N 2.93Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 2.79Å; E361-K365 PolarHBondContact OE1-NZ 2.87Å; E363-K365 PolarHBondContact O-N 3.22Å; K365-M368 PolarHBondContact O-N 3.05Å; K365-L369 VanDerWaalsContact O-CG 3.29Å; K365-L369 WeakPolarHBondContact O-CG 3.36Å; K365-L369 PolarHBondContact O-N 2.94Å
366T90.7Very high86.7Confident28 Ų2854.4 Ų54.417%0.17227%0.266CS..Hα-helixtrans-58.6-48.8176.5-71.10000111.9R208 E362 E363 K364 M368 L369 E370R208-T366 PolarHBondContact NH2-OG1 3.32Å; E362-T366 WeakPolarHBondContact O-CB 3.34Å; E362-T366 PolarHBondContact O-N 3.12Å; E362-T366 PolarHBondContact O-OG1 2.9Å; E363-T366 WeakPolarHBondContact O-CB 3.37Å; E363-T366 PolarHBondContact O-N 2.93Å; E363-T366 VanDerWaalsContact O-N 3.14Å; K364-T366 VanDerWaalsContact C-N 3.33Å; K364-T366 PolarHBondContact O-N 3.23Å; T366-M368 VanDerWaalsContact C-N 3.3Å; T366-M368 PolarHBondContact O-N 3.37Å; T366-L369 PolarHBondContact O-N 2.95Å; T366-E370 VanDerWaalsContact CG2-OE1 3.28Å; T366-E370 WeakPolarHBondContact CG2-OE1 3.49Å; T366-E370 WeakPolarHBondContact O-CG 3.38Å; T366-E370 PolarHBondContact O-N 3.22Å
367I92.2Very high88.5Confident58 Ų5855.8 Ų55.830%0.29727%0.27SS..Hα-helixtrans-58.1-43.4177.7-69165.2000111.1S147 E363 K364 E370 R371S147-I367 VanDerWaalsContact O-CG2 3.3Å; S147-I367 WeakPolarHBondContact O-CG2 3.29Å; E363-I367 HydrophobicContact CG-CD1 4.11Å; E363-I367 WeakPolarHBondContact O-CG1 3.3Å; E363-I367 PolarHBondContact O-N 3.26Å; K364-I367 PolarHBondContact O-N 3.37Å; I367-E370 PolarHBondContact O-N 2.74Å; I367-R371 WeakPolarHBondContact O-CB 3.39Å; I367-R371 PolarHBondContact O-N 3.1Å
368M91.9Very high90.1Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-67.1-38.7179.7-72.9-58.4-61.900112.7I146 W247 I346 L350 L355 K364 K365 T366 R371 A372I146-M368 HydrophobicContact CD1-CE 4.16Å; I146-M368 HydrophobicContact CG1-CE 4.41Å; I146-M368 HydrophobicContact CG1-SD 4.22Å; W247-M368 HydrophobicContact CH2-CE 3.63Å; W247-M368 HydrophobicContact CZ2-CE 3.74Å; I346-M368 HydrophobicContact CD1-CB 4.07Å; I346-M368 HydrophobicContact CD1-CE 3.81Å; L350-M368 HydrophobicContact CD2-CB 3.69Å; L350-M368 HydrophobicContact CD2-CG 4.31Å; L355-M368 HydrophobicContact CD1-CG 4.44Å; L355-M368 HydrophobicContact CD2-CG 4.48Å; K364-M368 WeakPolarHBondContact O-CB 3.49Å; K364-M368 VanDerWaalsContact O-CG 3.28Å; K364-M368 WeakPolarHBondContact O-CG 3.27Å; K364-M368 PolarHBondContact O-N 3.14Å; K365-M368 PolarHBondContact O-N 3.05Å; T366-M368 VanDerWaalsContact C-N 3.3Å; T366-M368 PolarHBondContact O-N 3.37Å; M368-R371 WeakPolarHBondContact O-CB 3.43Å; M368-R371 PolarHBondContact O-N 2.94Å; M368-R371 VanDerWaalsContact SD-CZ 3.55Å; M368-R371 PolarHBondContact SD-NH1 3.39Å; M368-A372 PolarHBondContact O-N 3.34Å
369L92.7Very high91.4Very high1 Ų147.3 Ų47.31%0.00523%0.228CC..Hα-helixtrans-64.8-44.5173.6-70.1167.1000111.6M201 Y205 I346 L350 K365 T366 R371 A372 I373M201-L369 HydrophobicContact CE-CD2 3.5Å; M201-L369 HydrophobicContact SD-CD2 3.6Å; Y205-L369 HydrophobicContact CD1-CD1 3.82Å; Y205-L369 HydrophobicContact CD2-CD1 4.16Å; Y205-L369 HydrophobicContact CD2-CD2 3.79Å; Y205-L369 HydrophobicContact CE1-CD1 3.55Å; Y205-L369 HydrophobicContact CE2-CD1 3.93Å; Y205-L369 HydrophobicContact CE2-CD2 3.68Å; Y205-L369 HydrophobicContact CE2-CG 4.45Å; Y205-L369 HydrophobicContact CG-CD1 4.11Å; Y205-L369 HydrophobicContact CG-CD2 4.39Å; I346-L369 HydrophobicContact CG1-CD2 4.45Å; I346-L369 HydrophobicContact CG2-CD2 4.14Å; L350-L369 HydrophobicContact CD1-CD1 4.45Å; L350-L369 HydrophobicContact CD1-CD2 3.83Å; L350-L369 HydrophobicContact CD1-CG 3.99Å; K365-L369 VanDerWaalsContact O-CG 3.29Å; K365-L369 WeakPolarHBondContact O-CG 3.36Å; K365-L369 PolarHBondContact O-N 2.94Å; T366-L369 PolarHBondContact O-N 2.95Å; L369-R371 VanDerWaalsContact C-N 3.3Å; L369-R371 PolarHBondContact O-N 2.96Å; L369-A372 PolarHBondContact O-N 3.25Å; L369-I373 WeakPolarHBondContact O-CG1 3.27Å; L369-I373 PolarHBondContact O-N 3.26Å
370E93.3Very high92.4Very high94 Ų9439.4 Ų39.444%0.43919%0.192SC..Hα-helixtrans-63.6-37177.7-73.7171.8-173.600111.7R208 T366 I367 A372 I373 A374R208-E370 IonicContact CZ-OE1 2.58Å; R208-E370 IonicContact NH1-OE1 2.64Å; R208-E370 PolarHBondContact NH1-OE1 3.13Å; R208-E370 IonicContact NH2-OE1 3.89Å; T366-E370 VanDerWaalsContact CG2-OE1 3.28Å; T366-E370 WeakPolarHBondContact CG2-OE1 3.49Å; T366-E370 WeakPolarHBondContact O-CG 3.38Å; T366-E370 PolarHBondContact O-N 3.22Å; I367-E370 PolarHBondContact O-N 2.74Å; E370-A372 PolarHBondContact O-N 2.97Å; E370-I373 PolarHBondContact O-N 3.21Å; E370-A374 WeakPolarHBondContact O-CB 3.3Å; E370-A374 PolarHBondContact O-N 3.02Å
371R94.6Very high93Very high1 Ų137.2 Ų37.20%0.00419%0.186CC..Hα-helixtrans-58.5-47.1171.4-172.5-175.8-59.8164.34.5111.8I146 S147 W289 T291 L342 I367 M368 L369 A374 C375I146-R371 PolarHBondContact O-NH1 3.29Å; I146-R371 PolarHBondContact O-NH2 3.37Å; S147-R371 VanDerWaalsContact C-NH2 3.3Å; S147-R371 PolarHBondContact O-NH2 3.01Å; W289-R371 PolarHBondContact O-NH1 3.37Å; T291-R371 WeakPolarHBondContact O-CD 3.25Å; T291-R371 PolarHBondContact O-NE 2.82Å; L342-R371 HydrophobicContact CD2-CG 4.14Å; I367-R371 WeakPolarHBondContact O-CB 3.39Å; I367-R371 PolarHBondContact O-N 3.1Å; M368-R371 WeakPolarHBondContact O-CB 3.43Å; M368-R371 PolarHBondContact O-N 2.94Å; M368-R371 VanDerWaalsContact SD-CZ 3.55Å; M368-R371 PolarHBondContact SD-NH1 3.39Å; L369-R371 VanDerWaalsContact C-N 3.3Å; L369-R371 PolarHBondContact O-N 2.96Å; R371-A374 PolarHBondContact O-N 3.25Å; R371-C375 PolarHBondContact O-N 3.09Å; R371-C375 PolarHBondContact O-SG 3.17Å; R371-C375 VanDerWaalsContact O-SG 3.4Å
372A94.8Very high93.6Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-64.6-41179.700000112.4L342 L343 I346 M368 L369 E370 C375 Y376L342-A372 HydrophobicContact CD2-CB 4.28Å; L342-A372 HydrophobicContact CG-CB 3.92Å; L343-A372 HydrophobicContact CD1-CB 3.83Å; I346-A372 HydrophobicContact CB-CB 4.22Å; I346-A372 HydrophobicContact CG1-CB 4.24Å; I346-A372 HydrophobicContact CG2-CB 4.26Å; M368-A372 PolarHBondContact O-N 3.34Å; L369-A372 PolarHBondContact O-N 3.25Å; E370-A372 PolarHBondContact O-N 2.97Å; A372-C375 WeakPolarHBondContact O-CB 3.32Å; A372-C375 PolarHBondContact O-N 3.4Å; A372-Y376 PolarHBondContact O-N 3.16Å; A372-Y376 VanDerWaalsContact O-N 3.13Å
373I95.8Very high93.8Very high24 Ų2430.6 Ų30.612%0.12316%0.155CC..Hα-helixtrans-66.1-44.9176.6-67.7163.2000110.8R208 L343 L369 E370 C375 Y376 E377R208-I373 HydrophobicContact CB-CD1 3.8Å; L343-I373 HydrophobicContact CD1-CG1 4.29Å; L369-I373 WeakPolarHBondContact O-CG1 3.27Å; L369-I373 PolarHBondContact O-N 3.26Å; E370-I373 PolarHBondContact O-N 3.21Å; I373-C375 PolarHBondContact O-N 3.09Å; I373-Y376 WeakPolarHBondContact O-CA 3.4Å; I373-Y376 VanDerWaalsContact O-CB 3.3Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 3.49Å; I373-E377 WeakPolarHBondContact O-CG 3.06Å; I373-E377 PolarHBondContact O-N 3.45Å
374A96.7Very high93.5Very high7 Ų729.8 Ų29.86%0.05815%0.154CC..Hα-helixtrans-62.2-33.3176.200000112.3P293 E370 R371 Y376 E377 D378P293-A374 HydrophobicContact CB-CB 3.66Å; P293-A374 HydrophobicContact CG-CB 3.46Å; P293-A374 VanDerWaalsContact CG-CB 3.46Å; E370-A374 WeakPolarHBondContact O-CB 3.3Å; E370-A374 PolarHBondContact O-N 3.02Å; R371-A374 PolarHBondContact O-N 3.25Å; A374-Y376 VanDerWaalsContact C-N 3.34Å; A374-E377 PolarHBondContact O-N 2.86Å; A374-D378 WeakPolarHBondContact O-CB 3.23Å; A374-D378 PolarHBondContact O-N 3.47Å
375C96.8Very high93.3Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-65.6-35.4172-780000112.9S288 R296 G339 R371 A372 I373 S379S288-C375 VanDerWaalsContact CB-SG 3.57Å; S288-C375 PolarHBondContact O-SG 3.12Å; R296-C375 PolarHBondContact NH1-SG 3.36Å; G339-C375 WeakPolarHBondContact O-CB 3.32Å; R371-C375 PolarHBondContact O-N 3.09Å; R371-C375 PolarHBondContact O-SG 3.17Å; R371-C375 VanDerWaalsContact O-SG 3.4Å; A372-C375 WeakPolarHBondContact O-CB 3.32Å; A372-C375 PolarHBondContact O-N 3.4Å; I373-C375 PolarHBondContact O-N 3.09Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; C375-S379 PolarHBondContact O-N 2.74Å; C375-S379 VanDerWaalsContact O-N 3.13Å; C375-S379 PolarHBondContact O-OG 3.04Å
376Y96.6Very high92.3Very high22 Ų2233.3 Ų33.39%0.08617%0.173CC..Hα-helixtrans-63.6-52.5170.3165.4-93.9000110.8Q211 V212 D213 I217 L340 A372 I373 A374 D378 S379 I380Q211-Y376 WeakPolarHBondContact O-CE1 3.27Å; Q211-Y376 PolarHBondContact O-OH 2.92Å; Q211-Y376 VanDerWaalsContact O-OH 3.11Å; V212-Y376 HydrophobicContact CG1-CD2 4.32Å; V212-Y376 HydrophobicContact CG1-CE2 4.2Å; V212-Y376 HydrophobicContact CG2-CD1 4.16Å; V212-Y376 HydrophobicContact CG2-CE1 4.3Å; V212-Y376 HydrophobicContact CG2-CG 4.45Å; D213-Y376 PolarHBondContact N-OH 3.5Å; I217-Y376 HydrophobicContact CD1-CD2 3.92Å; I217-Y376 HydrophobicContact CD1-CE2 4.15Å; I217-Y376 HydrophobicContact CG1-CD2 4.22Å; I217-Y376 HydrophobicContact CG1-CE2 4.23Å; L340-Y376 HydrophobicContact CD2-CD2 3.78Å; L340-Y376 HydrophobicContact CD2-CG 4.49Å; A372-Y376 PolarHBondContact O-N 3.16Å; A372-Y376 VanDerWaalsContact O-N 3.13Å; I373-Y376 WeakPolarHBondContact O-CA 3.4Å; I373-Y376 VanDerWaalsContact O-CB 3.3Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 3.49Å; A374-Y376 VanDerWaalsContact C-N 3.34Å; Y376-D378 VanDerWaalsContact C-N 3.34Å; Y376-D378 PolarHBondContact O-N 3.01Å; Y376-S379 WeakPolarHBondContact O-CB 3.35Å; Y376-S379 PolarHBondContact O-N 3.12Å; Y376-I380 HydrophobicContact CD1-CG1 4.37Å; Y376-I380 HydrophobicContact CD2-CD1 4.36Å; Y376-I380 HydrophobicContact CD2-CG1 4.17Å; Y376-I380 HydrophobicContact CE1-CG1 3.95Å; Y376-I380 HydrophobicContact CE2-CD1 3.78Å; Y376-I380 HydrophobicContact CE2-CG1 3.74Å; Y376-I380 HydrophobicContact CG-CG1 4.46Å; Y376-I380 WeakPolarHBondContact O-CG1 3.31Å; Y376-I380 PolarHBondContact O-N 3.04Å
377E96.4Very high90.6Very high82 Ų8239 Ų3938%0.38320%0.202SC..Hα-helixtrans-54.3-48178.6-66.7171.117300112.4R297 I373 A374 S379 I380 A381R297-E377 IonicContact NH2-OE2 2.71Å; R297-E377 PolarHBondContact NH2-OE2 3.39Å; I373-E377 WeakPolarHBondContact O-CG 3.06Å; I373-E377 PolarHBondContact O-N 3.45Å; A374-E377 PolarHBondContact O-N 2.86Å; E377-S379 VanDerWaalsContact C-N 3.28Å; E377-S379 PolarHBondContact O-N 3.49Å; E377-I380 PolarHBondContact O-N 3.47Å; E377-A381 WeakPolarHBondContact O-CB 3.47Å; E377-A381 PolarHBondContact O-N 3.38Å
378D97Very high88Confident16 Ų1645.9 Ų45.99%0.08624%0.24CC..Hα-helixtrans-62.4-37.9178.8-65.5-18.1000111R296 R297 F335 A374 Y376 F382R296-D378 IonicContact CZ-OD2 3.96Å; R296-D378 IonicContact NE-OD2 2.76Å; R296-D378 PolarHBondContact NE-OD2 2.98Å; R296-D378 IonicContact NH2-OD2 3.84Å; R296-D378 PolarHBondContact NH2-OD2 2.98Å; R297-D378 IonicContact CZ-OD1 2.85Å; R297-D378 VanDerWaalsContact CZ-OD1 3.22Å; R297-D378 IonicContact NE-OD1 2.61Å; R297-D378 PolarHBondContact NE-OD1 3.24Å; R297-D378 IonicContact NE-OD2 3.22Å; R297-D378 IonicContact NH2-OD1 3.44Å; R297-D378 PolarHBondContact NH2-OD1 3.41Å; F335-D378 HydrophobicContact CD1-CB 4.48Å; F335-D378 HydrophobicContact CE1-CB 3.75Å; F335-D378 HydrophobicContact CZ-CB 4.26Å; A374-D378 WeakPolarHBondContact O-CB 3.23Å; A374-D378 PolarHBondContact O-N 3.47Å; Y376-D378 VanDerWaalsContact C-N 3.34Å; Y376-D378 PolarHBondContact O-N 3.01Å; D378-F382 VanDerWaalsContact O-CD2 3.27Å; D378-F382 WeakPolarHBondContact O-CD2 3.4Å; D378-F382 VanDerWaalsContact O-CG 3.27Å; D378-F382 WeakPolarHBondContact O-CG 3.4Å; D378-F382 PolarHBondContact O-N 2.9Å; D378-F382 VanDerWaalsContact O-N 3.1Å
379S96.5Very high87.8Confident1 Ų148.2 Ų48.21%0.00725%0.252CS..Hα-helixtrans-66.4-42.1177.1-58.40000112F335 C375 Y376 E377 F382 F383F335-S379 WeakPolarHBondContact CD1-OG 3.38Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; C375-S379 PolarHBondContact O-N 2.74Å; C375-S379 VanDerWaalsContact O-N 3.13Å; C375-S379 PolarHBondContact O-OG 3.04Å; Y376-S379 WeakPolarHBondContact O-CB 3.35Å; Y376-S379 PolarHBondContact O-N 3.12Å; E377-S379 VanDerWaalsContact C-N 3.28Å; E377-S379 PolarHBondContact O-N 3.49Å; S379-F382 PolarHBondContact O-N 3.23Å; S379-F383 WeakPolarHBondContact O-CG 3.14Å; S379-F383 PolarHBondContact O-N 2.61Å; S379-F383 VanDerWaalsContact O-N 3.14Å
380I95.5Very high87.6Confident35 Ų3550.7 Ų50.718%0.17927%0.265CS..Hα-helixtrans-65.4-46.1177.1-60.5-49.1000110.7L216 Y376 E377 F382 F383 D384L216-I380 HydrophobicContact CD2-CD1 3.52Å; Y376-I380 HydrophobicContact CD1-CG1 4.37Å; Y376-I380 HydrophobicContact CD2-CD1 4.36Å; Y376-I380 HydrophobicContact CD2-CG1 4.17Å; Y376-I380 HydrophobicContact CE1-CG1 3.95Å; Y376-I380 HydrophobicContact CE2-CD1 3.78Å; Y376-I380 HydrophobicContact CE2-CG1 3.74Å; Y376-I380 HydrophobicContact CG-CG1 4.46Å; Y376-I380 WeakPolarHBondContact O-CG1 3.31Å; Y376-I380 PolarHBondContact O-N 3.04Å; E377-I380 PolarHBondContact O-N 3.47Å; I380-F382 PolarHBondContact O-N 2.95Å; I380-F383 HydrophobicContact CD1-CD2 3.83Å; I380-F383 HydrophobicContact CD1-CE2 3.97Å; I380-F383 WeakPolarHBondContact O-CA 3.48Å; I380-F383 WeakPolarHBondContact O-CB 3.21Å; I380-F383 PolarHBondContact O-N 3.43Å; I380-D384 PolarHBondContact O-N 2.89Å; I380-D384 VanDerWaalsContact O-N 3.12Å
381A95.4Very high87.3Confident46 Ų4648.3 Ų48.338%0.3826%0.255SS..Hα-helixtrans-57-38.1176.800000112E377 D384 E385E377-A381 WeakPolarHBondContact O-CB 3.47Å; E377-A381 PolarHBondContact O-N 3.38Å; A381-D384 PolarHBondContact O-N 3.3Å; A381-E385 WeakPolarHBondContact O-CG 3.41Å; A381-E385 PolarHBondContact O-N 2.85Å
382F95.1Very high86.8Confident16 Ų1651.1 Ų51.17%0.0727%0.27CS..Hα-helixtrans-71.6-25.7174.8-66.4-26.3000114.2W328 Y331 K332 F335 D378 S379 I380 N386W328-F382 HydrophobicContact CH2-CZ 4.39Å; W328-F382 HydrophobicContact CZ2-CE1 4.48Å; Y331-F382 AromaticContact CE1-CE2 4Å; Y331-F382 HydrophobicContact CE1-CE2 4Å; Y331-F382 HydrophobicContact CE1-CZ 4.02Å; K332-F382 HydrophobicContact CB-CB 4.16Å; K332-F382 HydrophobicContact CB-CD1 4.11Å; K332-F382 HydrophobicContact CB-CD2 4.28Å; K332-F382 HydrophobicContact CB-CG 3.93Å; K332-F382 HydrophobicContact CD-CD1 3.63Å; K332-F382 HydrophobicContact CD-CE1 3.89Å; K332-F382 HydrophobicContact CD-CG 4.31Å; K332-F382 HydrophobicContact CG-CD1 3.68Å; K332-F382 HydrophobicContact CG-CD2 4.38Å; K332-F382 HydrophobicContact CG-CE1 3.79Å; K332-F382 HydrophobicContact CG-CE2 4.47Å; K332-F382 HydrophobicContact CG-CG 4Å; K332-F382 HydrophobicContact CG-CZ 4.19Å; F335-F382 HydrophobicContact CB-CD2 3.84Å; F335-F382 HydrophobicContact CB-CE2 3.91Å; F335-F382 AromaticContact CD1-CD2 3.99Å; F335-F382 HydrophobicContact CD1-CD2 3.99Å; F335-F382 AromaticContact CD1-CE2 3.92Å; F335-F382 HydrophobicContact CD1-CE2 3.92Å; F335-F382 HydrophobicContact CD2-CE2 4.37Å; F335-F382 HydrophobicContact CG-CD2 4.05Å; F335-F382 AromaticContact CG-CE2 3.8Å; F335-F382 HydrophobicContact CG-CE2 3.8Å; D378-F382 VanDerWaalsContact O-CD2 3.27Å; D378-F382 WeakPolarHBondContact O-CD2 3.4Å; D378-F382 VanDerWaalsContact O-CG 3.27Å; D378-F382 WeakPolarHBondContact O-CG 3.4Å; D378-F382 PolarHBondContact O-N 2.9Å; D378-F382 VanDerWaalsContact O-N 3.1Å; S379-F382 PolarHBondContact O-N 3.23Å; I380-F382 PolarHBondContact O-N 2.95Å; F382-N386 PolarHBondContact O-ND2 2.69Å
383F90.7Very high86.3Confident27 Ų2754.3 Ų54.312%0.11829%0.287CS..Hα-helixtrans-67.4-47.9171.5-63-29.3000110.7K220 W336 L340 S379 I380 E385 N386 D387K220-F383 HydrophobicContact CD-CE1 4.45Å; K220-F383 HydrophobicContact CD-CE2 4.3Å; K220-F383 HydrophobicContact CD-CZ 3.92Å; K220-F383 HydrophobicContact CG-CE2 4.21Å; K220-F383 HydrophobicContact CG-CZ 4Å; W336-F383 HydrophobicContact CB-CE1 3.56Å; W336-F383 HydrophobicContact CB-CZ 3.43Å; W336-F383 VanDerWaalsContact CB-CZ 3.43Å; W336-F383 AromaticContact CD1-CE1 3.83Å; W336-F383 HydrophobicContact CD2-CE1 4.46Å; W336-F383 HydrophobicContact CD2-CZ 4.37Å; W336-F383 AromaticContact CG-CE1 3.66Å; W336-F383 HydrophobicContact CG-CE1 3.66Å; W336-F383 AromaticContact CG-CZ 3.79Å; W336-F383 HydrophobicContact CG-CZ 3.79Å; L340-F383 HydrophobicContact CD1-CE2 4.29Å; L340-F383 HydrophobicContact CD1-CZ 4.15Å; S379-F383 WeakPolarHBondContact O-CG 3.14Å; S379-F383 PolarHBondContact O-N 2.61Å; S379-F383 VanDerWaalsContact O-N 3.14Å; I380-F383 HydrophobicContact CD1-CD2 3.83Å; I380-F383 HydrophobicContact CD1-CE2 3.97Å; I380-F383 WeakPolarHBondContact O-CA 3.48Å; I380-F383 WeakPolarHBondContact O-CB 3.21Å; I380-F383 PolarHBondContact O-N 3.43Å; F383-E385 PolarHBondContact O-N 2.93Å; F383-N386 PolarHBondContact O-N 2.76Å; F383-D387 PolarHBondContact O-N 3.31Å
384D84.1Confident85.7Confident106 Ų10656.3 Ų56.357%0.56730%0.298SS*.Hα-helixtrans-59.8-35.1-179.8-64-19.4000112.1I380 A381 N386I380-D384 PolarHBondContact O-N 2.89Å; I380-D384 VanDerWaalsContact O-N 3.12Å; A381-D384 PolarHBondContact O-N 3.3Å; D384-N386 VanDerWaalsContact C-N 3.32Å; D384-N386 PolarHBondContact O-N 2.91Å
385E84.2Confident84.9Confident94 Ų9459.8 Ų59.844%0.43932%0.315SS..THydrogen-bonded Turntrans-73.7-13.6176.2-73.2-175.5-165.600115.3K332 A381 F383K332-E385 WeakPolarHBondContact CD-OE2 3.43Å; K332-E385 WeakPolarHBondContact CE-OE2 3.31Å; K332-E385 IonicContact NZ-OE2 2.85Å; K332-E385 PolarHBondContact NZ-OE2 3.42Å; A381-E385 WeakPolarHBondContact O-CG 3.41Å; A381-E385 PolarHBondContact O-N 2.85Å; F383-E385 PolarHBondContact O-N 2.93Å
386N68Low84Confident42 Ų4264.4 Ų64.423%0.22534%0.339CS..THydrogen-bonded Turntrans-102.5-12.3-177-81.5-64.7000113.5Q333 F382 F383 D384Q333-N386 PolarHBondContact NE2-OD1 3.32Å; Q333-N386 VanDerWaalsContact NE2-OD1 3.12Å; F382-N386 PolarHBondContact O-ND2 2.69Å; F383-N386 PolarHBondContact O-N 2.76Å; D384-N386 VanDerWaalsContact C-N 3.32Å; D384-N386 PolarHBondContact O-N 2.91Å
387D55.4Low83Confident146 Ų14667.9 Ų67.978%0.78136%0.361SS*.  trans-88.2-5.6176.4-72.2-18.3000112.7F383F383-D387 PolarHBondContact O-N 3.31Å
388D37.4Very low81.7Confident204 Ų20466.6 Ų66.6100%1.09136%0.358SS*.  trans-94.20164.5-73.1-27.5000112

Retrieved 388 of 388 residues in 623.8 ms (Link to these results)

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