| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 83.2 | Confident | 90.1 | Very high | 115 Ų | 115 | 67.2 Ų | 67.2 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | 0 | -65.7 | 0 | -154.4 | 171.1 | -70.6 | 0 | 0 | 111.3 | A3 R4 V5 W32 F44 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.72Å; M1-R4 WeakPolarHBondContact O-CB 3.44Å; M1-R4 PolarHBondContact O-N 2.85Å; M1-V5 PolarHBondContact O-N 3.22Å; M1-W32 HydrophobicContact CE-CD2 4.42Å; M1-W32 HydrophobicContact CE-CH2 4.44Å; M1-W32 HydrophobicContact CE-CZ2 3.64Å; M1-W32 HydrophobicContact CG-CB 4.35Å; M1-W32 HydrophobicContact CG-CD2 3.32Å; M1-W32 HydrophobicContact CG-CE3 3.58Å; M1-W32 HydrophobicContact CG-CG 3.67Å; M1-W32 HydrophobicContact CG-CH2 4.2Å; M1-W32 HydrophobicContact CG-CZ2 4Å; M1-W32 HydrophobicContact CG-CZ3 4Å; M1-W32 VanDerWaalsContact SD-CD1 3.54Å; M1-W32 HydrophobicContact SD-CD2 3.85Å; M1-W32 VanDerWaalsContact SD-CE2 3.57Å; M1-W32 HydrophobicContact SD-CG 3.85Å; M1-W32 HydrophobicContact SD-CZ2 4.18Å; M1-W32 PolarHBondContact SD-NE1 3.46Å; M1-W32 VanDerWaalsContact SD-NE1 3.37Å; M1-F44 HydrophobicContact CB-CD1 4.29Å; M1-F44 HydrophobicContact CG-CD1 3.83Å; M1-F44 HydrophobicContact CG-CE1 3.63Å; M1-F44 HydrophobicContact SD-CD1 3.29Å; M1-F44 WeakPolarHBondContact SD-CD1 3.23Å; M1-F44 HydrophobicContact SD-CE1 3.21Å; M1-F44 WeakPolarHBondContact SD-CE1 3.5Å; M1-F44 HydrophobicContact SD-CZ 4.49Å | |||
| 2 | L | 87.2 | Confident | 90 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -51.6 | -43.3 | 179.8 | -74.3 | 171.9 | 0 | 0 | 0 | 114.8 | R4 V5 R6 Y36 E41 F44 | L2-R4 PolarHBondContact O-N 3.35Å; L2-V5 PolarHBondContact O-N 3.13Å; L2-V5 VanDerWaalsContact O-N 3.15Å; L2-R6 PolarHBondContact O-N 3.21Å; L2-Y36 HydrophobicContact CD2-CD2 3.99Å; L2-Y36 HydrophobicContact CD2-CE2 4.11Å; L2-E41 HydrophobicContact CD2-CG 4.21Å; L2-F44 HydrophobicContact CD1-CB 4.19Å; L2-F44 HydrophobicContact CD2-CB 3.94Å; L2-F44 HydrophobicContact CD2-CD2 3.25Å; L2-F44 HydrophobicContact CD2-CE2 3.9Å; L2-F44 HydrophobicContact CD2-CG 3.72Å; L2-F44 HydrophobicContact CG-CB 3.93Å; L2-F44 HydrophobicContact CG-CD2 4.09Å; L2-F44 HydrophobicContact CG-CG 4.04Å |
| 3 | A | 89.9 | Confident | 90 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.7 | -36 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 E7 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.72Å; A3-E7 VanDerWaalsContact O-CB 3.29Å; A3-E7 WeakPolarHBondContact O-CB 3.34Å; A3-E7 PolarHBondContact O-N 3.47Å |
| 4 | R | 90.4 | Very high | 90.2 | Very high | 84 Ų | 84 | 69.4 Ų | 69.4 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.3 | -34.7 | -179.8 | -55 | -66.8 | 87.7 | 102.2 | 6.3 | 112.1 | M1 L2 E7 Y8 N22 I24 L29 | M1-R4 WeakPolarHBondContact O-CB 3.44Å; M1-R4 PolarHBondContact O-N 2.85Å; L2-R4 PolarHBondContact O-N 3.35Å; R4-E7 IonicContact CZ-OE2 3.16Å; R4-E7 IonicContact NE-OE2 3.31Å; R4-E7 PolarHBondContact NE-OE2 3.4Å; R4-E7 IonicContact NH2-OE2 3.15Å; R4-E7 WeakPolarHBondContact O-CB 3.38Å; R4-E7 PolarHBondContact O-N 3.37Å; R4-Y8 PolarHBondContact O-N 2.94Å; R4-Y8 VanDerWaalsContact O-N 3.11Å; R4-N22 VanDerWaalsContact CD-ND2 3.34Å; R4-N22 WeakPolarHBondContact CD-ND2 3.47Å; R4-N22 WeakPolarHBondContact CD-OD1 3.43Å; R4-N22 PolarHBondContact NE-OD1 3.3Å; R4-N22 PolarHBondContact NH1-OD1 2.89Å; R4-I24 HydrophobicContact CG-CD1 4.47Å; R4-L29 HydrophobicContact CB-CD1 3.96Å |
| 5 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -49.2 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 110 | M1 L2 E7 Y8 L9 W32 V33 Y36 F44 | M1-V5 PolarHBondContact O-N 3.22Å; L2-V5 PolarHBondContact O-N 3.13Å; L2-V5 VanDerWaalsContact O-N 3.15Å; V5-E7 VanDerWaalsContact C-N 3.29Å; V5-E7 PolarHBondContact O-N 3.45Å; V5-Y8 WeakPolarHBondContact O-CB 3.44Å; V5-Y8 PolarHBondContact O-N 3.39Å; V5-Y8 VanDerWaalsContact O-N 3.14Å; V5-L9 HydrophobicContact CG1-CD1 3.84Å; V5-L9 HydrophobicContact CG1-CG 4.35Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 3.49Å; V5-W32 HydrophobicContact CG2-CB 3.59Å; V5-V33 HydrophobicContact CB-CG2 4.44Å; V5-V33 HydrophobicContact CG1-CG2 4.14Å; V5-V33 HydrophobicContact CG2-CG2 4.23Å; V5-Y36 HydrophobicContact CG1-CD1 3.98Å; V5-Y36 HydrophobicContact CG1-CD2 3.79Å; V5-Y36 HydrophobicContact CG1-CE2 4.45Å; V5-Y36 HydrophobicContact CG1-CG 3.5Å; V5-Y36 VanDerWaalsContact CG1-CG 3.5Å; V5-F44 HydrophobicContact CG2-CZ 4.36Å |
| 6 | R | 91.8 | Very high | 90.7 | Very high | 121 Ų | 121 | 75 Ų | 75 | 46% | 0.457 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 175.8 | -68.2 | -177.4 | -175.9 | 164.5 | 1.7 | 112.2 | L2 L9 S10 E41 | L2-R6 PolarHBondContact O-N 3.21Å; R6-L9 PolarHBondContact O-N 3.23Å; R6-S10 VanDerWaalsContact O-CB 3.31Å; R6-S10 WeakPolarHBondContact O-CB 3.48Å; R6-S10 PolarHBondContact O-N 3.42Å; R6-S10 PolarHBondContact O-OG 3.08Å; R6-E41 IonicContact CZ-OE1 3.97Å; R6-E41 IonicContact NE-OE1 2.78Å; R6-E41 IonicContact NH2-OE1 2.88Å; R6-E41 PolarHBondContact NH2-OE1 3.03Å; R6-E41 IonicContact NH2-OE2 3.9Å; R6-E41 PolarHBondContact NH2-OE2 3.37Å; R6-E41 VanDerWaalsContact NH2-OE2 3.15Å |
| 7 | E | 90.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 173.9 | -173.6 | 179.5 | 171.9 | 0 | 0 | 111.7 | A3 R4 V5 S10 K12 I18 | A3-E7 VanDerWaalsContact O-CB 3.29Å; A3-E7 WeakPolarHBondContact O-CB 3.34Å; A3-E7 PolarHBondContact O-N 3.47Å; R4-E7 IonicContact CZ-OE2 3.16Å; R4-E7 IonicContact NE-OE2 3.31Å; R4-E7 PolarHBondContact NE-OE2 3.4Å; R4-E7 IonicContact NH2-OE2 3.15Å; R4-E7 WeakPolarHBondContact O-CB 3.38Å; R4-E7 PolarHBondContact O-N 3.37Å; V5-E7 VanDerWaalsContact C-N 3.29Å; V5-E7 PolarHBondContact O-N 3.45Å; E7-S10 PolarHBondContact O-OG 2.8Å; E7-K12 HydrophobicContact CG-CB 4.24Å; E7-K12 HydrophobicContact CG-CD 4.05Å; E7-K12 PolarHBondContact O-N 3.13Å; E7-I18 HydrophobicContact CG-CD1 4.15Å; E7-I18 HydrophobicContact CG-CG1 4.35Å; E7-I18 HydrophobicContact CG-CG2 4.35Å |
| 8 | Y | 92.7 | Very high | 91.1 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 25% | 0.247 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 173.6 | 174 | -102.4 | 0 | 0 | 0 | 112.3 | R4 V5 S10 G11 Y15 I18 V33 | R4-Y8 PolarHBondContact O-N 2.94Å; R4-Y8 VanDerWaalsContact O-N 3.11Å; V5-Y8 WeakPolarHBondContact O-CB 3.44Å; V5-Y8 PolarHBondContact O-N 3.39Å; V5-Y8 VanDerWaalsContact O-N 3.14Å; Y8-S10 PolarHBondContact O-N 3.16Å; Y8-G11 PolarHBondContact O-N 2.87Å; Y8-Y15 HydrophobicContact CD1-CE1 4.17Å; Y8-Y15 HydrophobicContact CD2-CD1 4.2Å; Y8-Y15 HydrophobicContact CD2-CE1 4.2Å; Y8-Y15 HydrophobicContact CD2-CG 4.38Å; Y8-Y15 HydrophobicContact CE1-CE1 4Å; Y8-Y15 HydrophobicContact CE1-CE2 4.06Å; Y8-Y15 AromaticContact CE1-CZ 3.52Å; Y8-Y15 WeakPolarHBondContact CE1-OH 3.34Å; Y8-Y15 HydrophobicContact CE2-CD1 4.16Å; Y8-Y15 AromaticContact CE2-CD2 3.78Å; Y8-Y15 HydrophobicContact CE2-CD2 3.78Å; Y8-Y15 HydrophobicContact CE2-CE1 4.05Å; Y8-Y15 AromaticContact CE2-CE2 3.65Å; Y8-Y15 HydrophobicContact CE2-CE2 3.65Å; Y8-Y15 HydrophobicContact CE2-CG 4.03Å; Y8-Y15 AromaticContact CE2-CZ 3.78Å; Y8-Y15 HydrophobicContact CG-CE1 4.25Å; Y8-Y15 AromaticContact CZ-CD2 3.98Å; Y8-Y15 AromaticContact CZ-CE1 3.94Å; Y8-Y15 AromaticContact CZ-CE2 3.34Å; Y8-Y15 AromaticContact CZ-CZ 3.31Å; Y8-Y15 WeakPolarHBondContact OH-CE2 3.39Å; Y8-I18 HydrophobicContact CD2-CD1 4.15Å; Y8-I18 HydrophobicContact CG-CD1 4.44Å; Y8-V33 HydrophobicContact CD1-CB 4.25Å; Y8-V33 HydrophobicContact CD1-CG1 3.7Å; Y8-V33 HydrophobicContact CD1-CG2 3.55Å; Y8-V33 HydrophobicContact CE1-CG1 3.71Å; Y8-V33 HydrophobicContact CE1-CG2 4.25Å; Y8-V33 HydrophobicContact CG-CG2 4.07Å |
| 9 | L | 91.3 | Very high | 91.2 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -26 | -178.7 | -66.7 | 174.2 | 0 | 0 | 0 | 113 | V5 R6 G11 V33 Y36 | V5-L9 HydrophobicContact CG1-CD1 3.84Å; V5-L9 HydrophobicContact CG1-CG 4.35Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 3.49Å; R6-L9 PolarHBondContact O-N 3.23Å; L9-G11 PolarHBondContact O-N 2.96Å; L9-V33 HydrophobicContact CD2-CG1 4.38Å; L9-Y36 HydrophobicContact CD1-CD1 3.39Å; L9-Y36 HydrophobicContact CD1-CE1 3.28Å; L9-Y36 HydrophobicContact CD1-CG 4.3Å |
| 10 | S | 92.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 77.6 Ų | 77.6 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -1.1 | 173.5 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | R6 E7 Y8 K12 | R6-S10 VanDerWaalsContact O-CB 3.31Å; R6-S10 WeakPolarHBondContact O-CB 3.48Å; R6-S10 PolarHBondContact O-N 3.42Å; R6-S10 PolarHBondContact O-OG 3.08Å; E7-S10 PolarHBondContact O-OG 2.8Å; Y8-S10 PolarHBondContact O-N 3.16Å; S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact OG-CD 3.31Å; S10-K12 WeakPolarHBondContact OG-CD 3.45Å; S10-K12 WeakPolarHBondContact OG-CE 3.47Å; S10-K12 VanDerWaalsContact OG-CG 3.3Å; S10-K12 WeakPolarHBondContact OG-CG 3.41Å |
| 11 | G | 90.5 | Very high | 91.4 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 11.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y8 L9 G13 | Y8-G11 PolarHBondContact O-N 2.87Å; L9-G11 PolarHBondContact O-N 2.96Å; G11-G13 PolarHBondContact O-N 3.28Å |
| 12 | K | 88.2 | Confident | 91.9 | Very high | 159 Ų | 159 | 74.6 Ų | 74.6 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -68.6 | -12.5 | -175.3 | -72.3 | 175.1 | -177.4 | -177.4 | 0 | 114.8 | E7 S10 | E7-K12 HydrophobicContact CG-CB 4.24Å; E7-K12 HydrophobicContact CG-CD 4.05Å; E7-K12 PolarHBondContact O-N 3.13Å; S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact OG-CD 3.31Å; S10-K12 WeakPolarHBondContact OG-CD 3.45Å; S10-K12 WeakPolarHBondContact OG-CE 3.47Å; S10-K12 VanDerWaalsContact OG-CG 3.3Å; S10-K12 WeakPolarHBondContact OG-CG 3.41Å |
| 13 | G | 90.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 19% | 0.186 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 172.2 | 169.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G11 I18 | G11-G13 PolarHBondContact O-N 3.28Å; G13-I18 WeakPolarHBondContact O-CD1 3.41Å |
| 14 | S | 92.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 75.6 Ų | 75.6 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | trans | -69.7 | 160.8 | 173.2 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | R16 Q17 I18 | S14-R16 PolarHBondContact O-N 2.95Å; S14-R16 VanDerWaalsContact O-N 3.1Å; S14-Q17 PolarHBondContact O-N 2.86Å; S14-Q17 PolarHBondContact OG-N 2.9Å; S14-Q17 PolarHBondContact OG-OE1 3.4Å; S14-I18 PolarHBondContact O-N 3.47Å; S14-I18 VanDerWaalsContact O-N 3.1Å | ||
| 15 | Y | 93.9 | Very high | 92.6 | Very high | 36 Ų | 36 | 74.2 Ų | 74.2 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -45.8 | -43.3 | 173.1 | -77.1 | -70.4 | 0 | 0 | 0 | 113.5 | Y8 A19 L29 R30 V33 | Y8-Y15 HydrophobicContact CD1-CE1 4.17Å; Y8-Y15 HydrophobicContact CD2-CD1 4.2Å; Y8-Y15 HydrophobicContact CD2-CE1 4.2Å; Y8-Y15 HydrophobicContact CD2-CG 4.38Å; Y8-Y15 HydrophobicContact CE1-CE1 4Å; Y8-Y15 HydrophobicContact CE1-CE2 4.06Å; Y8-Y15 AromaticContact CE1-CZ 3.52Å; Y8-Y15 WeakPolarHBondContact CE1-OH 3.34Å; Y8-Y15 HydrophobicContact CE2-CD1 4.16Å; Y8-Y15 AromaticContact CE2-CD2 3.78Å; Y8-Y15 HydrophobicContact CE2-CD2 3.78Å; Y8-Y15 HydrophobicContact CE2-CE1 4.05Å; Y8-Y15 AromaticContact CE2-CE2 3.65Å; Y8-Y15 HydrophobicContact CE2-CE2 3.65Å; Y8-Y15 HydrophobicContact CE2-CG 4.03Å; Y8-Y15 AromaticContact CE2-CZ 3.78Å; Y8-Y15 HydrophobicContact CG-CE1 4.25Å; Y8-Y15 AromaticContact CZ-CD2 3.98Å; Y8-Y15 AromaticContact CZ-CE1 3.94Å; Y8-Y15 AromaticContact CZ-CE2 3.34Å; Y8-Y15 AromaticContact CZ-CZ 3.31Å; Y8-Y15 WeakPolarHBondContact OH-CE2 3.39Å; Y15-A19 WeakPolarHBondContact O-CB 3.37Å; Y15-A19 PolarHBondContact O-N 3.17Å; Y15-L29 HydrophobicContact CD1-CB 4.41Å; Y15-L29 HydrophobicContact CD1-CD2 4Å; Y15-L29 HydrophobicContact CD1-CG 3.91Å; Y15-L29 HydrophobicContact CE1-CG 4.36Å; Y15-R30 HydrophobicContact CD1-CB 4.43Å; Y15-R30 HydrophobicContact CD1-CG 3.53Å; Y15-R30 HydrophobicContact CD2-CG 4.06Å; Y15-R30 HydrophobicContact CE1-CB 4.18Å; Y15-R30 HydrophobicContact CE1-CG 3.57Å; Y15-R30 HydrophobicContact CE2-CG 4.09Å; Y15-R30 HydrophobicContact CG-CG 3.78Å; Y15-V33 HydrophobicContact CE1-CB 4.01Å; Y15-V33 HydrophobicContact CE1-CG1 4.44Å; Y15-V33 HydrophobicContact CE1-CG2 3.77Å; Y15-V33 WeakPolarHBondContact OH-CG1 3.46Å |
| 16 | R | 94.1 | Very high | 92.7 | Very high | 192 Ų | 192 | 75.7 Ų | 75.7 | 73% | 0.725 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.3 | -40.5 | -177.9 | -68.6 | -174.4 | -173.6 | 128.4 | -2.1 | 112.3 | S14 R20 A26 | S14-R16 PolarHBondContact O-N 2.95Å; S14-R16 VanDerWaalsContact O-N 3.1Å; R16-R20 VanDerWaalsContact O-CB 3.25Å; R16-R20 WeakPolarHBondContact O-CB 3.39Å; R16-R20 PolarHBondContact O-N 3.36Å; R16-A26 HydrophobicContact CG-CB 4.45Å |
| 17 | Q | 94.5 | Very high | 92.7 | Very high | 123 Ų | 123 | 79.8 Ų | 79.8 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.5 | -49.5 | -179.8 | -74.9 | 163.5 | -50.9 | 0 | 0 | 110.9 | S14 A19 R20 A21 | S14-Q17 PolarHBondContact O-N 2.86Å; S14-Q17 PolarHBondContact OG-N 2.9Å; S14-Q17 PolarHBondContact OG-OE1 3.4Å; Q17-A19 PolarHBondContact O-N 3.18Å; Q17-R20 PolarHBondContact O-N 2.93Å; Q17-A21 WeakPolarHBondContact O-CB 3.26Å; Q17-A21 PolarHBondContact O-N 3.34Å |
| 18 | I | 93.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 179.7 | -62.9 | 172.2 | 0 | 0 | 0 | 110.4 | E7 Y8 G13 S14 R20 A21 N22 L29 | E7-I18 HydrophobicContact CG-CD1 4.15Å; E7-I18 HydrophobicContact CG-CG1 4.35Å; E7-I18 HydrophobicContact CG-CG2 4.35Å; Y8-I18 HydrophobicContact CD2-CD1 4.15Å; Y8-I18 HydrophobicContact CG-CD1 4.44Å; G13-I18 WeakPolarHBondContact O-CD1 3.41Å; S14-I18 PolarHBondContact O-N 3.47Å; S14-I18 VanDerWaalsContact O-N 3.1Å; I18-R20 PolarHBondContact O-N 2.9Å; I18-A21 PolarHBondContact O-N 3.32Å; I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 PolarHBondContact O-N 3.07Å; I18-N22 VanDerWaalsContact O-N 3.16Å; I18-N22 PolarHBondContact O-ND2 3.41Å; I18-L29 HydrophobicContact CB-CD2 3.82Å; I18-L29 HydrophobicContact CG2-CD2 3.7Å |
| 19 | A | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.017 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y15 Q17 N22 G23 I24 A26 L29 | Y15-A19 WeakPolarHBondContact O-CB 3.37Å; Y15-A19 PolarHBondContact O-N 3.17Å; Q17-A19 PolarHBondContact O-N 3.18Å; A19-N22 CarbonylContact O-C 3.54Å; A19-N22 PolarHBondContact O-N 3.49Å; A19-G23 PolarHBondContact O-N 3.05Å; A19-I24 CarbonylContact C-O 3.55Å; A19-I24 HydrophobicContact CB-CG1 4.07Å; A19-I24 WeakPolarHBondContact CB-O 3.46Å; A19-I24 PolarHBondContact O-N 3.04Å; A19-A26 HydrophobicContact CB-CB 3.98Å; A19-L29 HydrophobicContact CB-CD2 4.42Å |
| 20 | R | 94.3 | Very high | 92.7 | Very high | 223 Ų | 223 | 79 Ų | 79 | 84% | 0.842 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 177.6 | -167.7 | -179.8 | -142.3 | 156.4 | 5.3 | 112.3 | R16 Q17 I18 N22 G23 | R16-R20 VanDerWaalsContact O-CB 3.25Å; R16-R20 WeakPolarHBondContact O-CB 3.39Å; R16-R20 PolarHBondContact O-N 3.36Å; Q17-R20 PolarHBondContact O-N 2.93Å; I18-R20 PolarHBondContact O-N 2.9Å; R20-N22 PolarHBondContact O-N 3.09Å; R20-G23 PolarHBondContact O-N 3.1Å |
| 21 | A | 93.1 | Very high | 92.6 | Very high | 81 Ų | 81 | 77.3 Ų | 77.3 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.4 | -24.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q17 I18 | Q17-A21 WeakPolarHBondContact O-CB 3.26Å; Q17-A21 PolarHBondContact O-N 3.34Å; I18-A21 PolarHBondContact O-N 3.32Å |
| 22 | N | 92.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 77 Ų | 77 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 5.8 | -177.3 | -70.5 | -83.4 | 0 | 0 | 0 | 114 | R4 I18 A19 R20 I24 | R4-N22 VanDerWaalsContact CD-ND2 3.34Å; R4-N22 WeakPolarHBondContact CD-ND2 3.47Å; R4-N22 WeakPolarHBondContact CD-OD1 3.43Å; R4-N22 PolarHBondContact NE-OD1 3.3Å; R4-N22 PolarHBondContact NH1-OD1 2.89Å; I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 PolarHBondContact O-N 3.07Å; I18-N22 VanDerWaalsContact O-N 3.16Å; I18-N22 PolarHBondContact O-ND2 3.41Å; A19-N22 CarbonylContact O-C 3.54Å; A19-N22 PolarHBondContact O-N 3.49Å; R20-N22 PolarHBondContact O-N 3.09Å; N22-I24 HydrophobicContact CB-CD1 4.47Å; N22-I24 HydrophobicContact CB-CG1 4.25Å; N22-I24 PolarHBondContact O-N 2.58Å |
| 23 | G | 94 | Very high | 92.9 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 76% | 0.763 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 25.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A19 R20 | A19-G23 PolarHBondContact O-N 3.05Å; R20-G23 PolarHBondContact O-N 3.1Å |
| 24 | I | 94 | Very high | 92.9 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | trans | -111.1 | 161.1 | 178.9 | 61.6 | 175.5 | 0 | 0 | 0 | 110.9 | R4 A19 N22 L29 W32 | R4-I24 HydrophobicContact CG-CD1 4.47Å; A19-I24 CarbonylContact C-O 3.55Å; A19-I24 HydrophobicContact CB-CG1 4.07Å; A19-I24 WeakPolarHBondContact CB-O 3.46Å; A19-I24 PolarHBondContact O-N 3.04Å; N22-I24 HydrophobicContact CB-CD1 4.47Å; N22-I24 HydrophobicContact CB-CG1 4.25Å; N22-I24 PolarHBondContact O-N 2.58Å; I24-L29 HydrophobicContact CD1-CB 4.15Å; I24-L29 HydrophobicContact CD1-CD1 4.38Å; I24-W32 HydrophobicContact CD1-CE3 4.31Å; I24-W32 HydrophobicContact CD1-CH2 4.15Å; I24-W32 HydrophobicContact CD1-CZ3 3.51Å; I24-W32 HydrophobicContact CG2-CH2 4.32Å | ||
| 25 | S | 94.6 | Very high | 92.8 | Very high | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | trans | -73 | 140.9 | 173.8 | 91.4 | 0 | 0 | 0 | 0 | 110.9 | W27 S28 L29 | S25-W27 PolarHBondContact O-N 2.82Å; S25-S28 PolarHBondContact O-N 3.38Å; S25-S28 WeakPolarHBondContact OG-CB 3.43Å; S25-S28 PolarHBondContact OG-N 3.21Å; S25-S28 PolarHBondContact OG-OG 3.24Å; S25-L29 PolarHBondContact O-N 3.36Å | ||
| 26 | A | 93.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -26.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R16 A19 R30 | R16-A26 HydrophobicContact CG-CB 4.45Å; A19-A26 HydrophobicContact CB-CB 3.98Å; A26-R30 VanDerWaalsContact O-CG 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 3.19Å |
| 27 | W | 91.4 | Very high | 92.5 | Very high | 207 Ų | 207 | 69.8 Ų | 69.8 | 78% | 0.784 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 174.2 | -175.7 | -96.6 | 0 | 0 | 0 | 111.9 | S25 L29 R30 G31 | S25-W27 PolarHBondContact O-N 2.82Å; W27-L29 VanDerWaalsContact C-N 3.32Å; W27-L29 PolarHBondContact O-N 2.59Å; W27-R30 PolarHBondContact O-N 3.27Å; W27-G31 PolarHBondContact O-N 2.94Å |
| 28 | S | 90.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | S25 G31 W32 | S25-S28 PolarHBondContact O-N 3.38Å; S25-S28 WeakPolarHBondContact OG-CB 3.43Å; S25-S28 PolarHBondContact OG-N 3.21Å; S25-S28 PolarHBondContact OG-OG 3.24Å; S28-G31 PolarHBondContact O-N 3.38Å; S28-W32 PolarHBondContact O-N 3.48Å |
| 29 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.2 | -176.9 | 60.8 | 0 | 0 | 0 | 111.9 | R4 Y15 I18 A19 I24 S25 W27 G31 W32 V33 | R4-L29 HydrophobicContact CB-CD1 3.96Å; Y15-L29 HydrophobicContact CD1-CB 4.41Å; Y15-L29 HydrophobicContact CD1-CD2 4Å; Y15-L29 HydrophobicContact CD1-CG 3.91Å; Y15-L29 HydrophobicContact CE1-CG 4.36Å; I18-L29 HydrophobicContact CB-CD2 3.82Å; I18-L29 HydrophobicContact CG2-CD2 3.7Å; A19-L29 HydrophobicContact CB-CD2 4.42Å; I24-L29 HydrophobicContact CD1-CB 4.15Å; I24-L29 HydrophobicContact CD1-CD1 4.38Å; S25-L29 PolarHBondContact O-N 3.36Å; W27-L29 VanDerWaalsContact C-N 3.32Å; W27-L29 PolarHBondContact O-N 2.59Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 3.27Å; L29-W32 HydrophobicContact CD1-CE3 4.2Å; L29-W32 PolarHBondContact O-N 3.3Å; L29-V33 HydrophobicContact CD1-CG2 4.28Å; L29-V33 HydrophobicContact CG-CG2 4.45Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 3.37Å |
| 30 | R | 92.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 73 Ų | 73 | 46% | 0.457 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.1 | -75.6 | 172.5 | -175.5 | -104.2 | 2.7 | 111.9 | Y15 A26 W27 W32 V33 R34 | Y15-R30 HydrophobicContact CD1-CB 4.43Å; Y15-R30 HydrophobicContact CD1-CG 3.53Å; Y15-R30 HydrophobicContact CD2-CG 4.06Å; Y15-R30 HydrophobicContact CE1-CB 4.18Å; Y15-R30 HydrophobicContact CE1-CG 3.57Å; Y15-R30 HydrophobicContact CE2-CG 4.09Å; Y15-R30 HydrophobicContact CG-CG 3.78Å; A26-R30 VanDerWaalsContact O-CG 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 3.19Å; W27-R30 PolarHBondContact O-N 3.27Å; R30-W32 VanDerWaalsContact C-N 3.31Å; R30-W32 PolarHBondContact O-N 2.89Å; R30-V33 PolarHBondContact O-N 3.02Å; R30-R34 WeakPolarHBondContact O-CB 3.01Å; R30-R34 PolarHBondContact O-N 2.93Å |
| 31 | G | 90.2 | Very high | 91.5 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W27 S28 L29 K35 | W27-G31 PolarHBondContact O-N 2.94Å; S28-G31 PolarHBondContact O-N 3.38Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 3.27Å; G31-K35 WeakPolarHBondContact O-CG 3.39Å; G31-K35 PolarHBondContact O-N 3.03Å; G31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | W | 91.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 66.6 Ų | 66.6 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 176.1 | -58.6 | -22.7 | 0 | 0 | 0 | 112.3 | M1 V5 I24 S28 L29 R30 R34 K35 Y36 F44 | M1-W32 HydrophobicContact CE-CD2 4.42Å; M1-W32 HydrophobicContact CE-CH2 4.44Å; M1-W32 HydrophobicContact CE-CZ2 3.64Å; M1-W32 HydrophobicContact CG-CB 4.35Å; M1-W32 HydrophobicContact CG-CD2 3.32Å; M1-W32 HydrophobicContact CG-CE3 3.58Å; M1-W32 HydrophobicContact CG-CG 3.67Å; M1-W32 HydrophobicContact CG-CH2 4.2Å; M1-W32 HydrophobicContact CG-CZ2 4Å; M1-W32 HydrophobicContact CG-CZ3 4Å; M1-W32 VanDerWaalsContact SD-CD1 3.54Å; M1-W32 HydrophobicContact SD-CD2 3.85Å; M1-W32 VanDerWaalsContact SD-CE2 3.57Å; M1-W32 HydrophobicContact SD-CG 3.85Å; M1-W32 HydrophobicContact SD-CZ2 4.18Å; M1-W32 PolarHBondContact SD-NE1 3.46Å; M1-W32 VanDerWaalsContact SD-NE1 3.37Å; V5-W32 HydrophobicContact CG2-CB 3.59Å; I24-W32 HydrophobicContact CD1-CE3 4.31Å; I24-W32 HydrophobicContact CD1-CH2 4.15Å; I24-W32 HydrophobicContact CD1-CZ3 3.51Å; I24-W32 HydrophobicContact CG2-CH2 4.32Å; S28-W32 PolarHBondContact O-N 3.48Å; L29-W32 HydrophobicContact CD1-CE3 4.2Å; L29-W32 PolarHBondContact O-N 3.3Å; R30-W32 VanDerWaalsContact C-N 3.31Å; R30-W32 PolarHBondContact O-N 2.89Å; W32-R34 VanDerWaalsContact C-N 3.32Å; W32-R34 PolarHBondContact O-N 3.2Å; W32-K35 PolarHBondContact O-N 3.35Å; W32-Y36 PolarHBondContact O-N 2.94Å; W32-F44 HydrophobicContact CB-CE1 4.07Å; W32-F44 HydrophobicContact CB-CZ 3.92Å; W32-F44 HydrophobicContact CG-CE1 4.21Å; W32-F44 WeakPolarHBondContact O-CZ 3.21Å |
| 33 | V | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | V5 Y8 L9 Y15 L29 R30 K35 Y36 E37 | V5-V33 HydrophobicContact CB-CG2 4.44Å; V5-V33 HydrophobicContact CG1-CG2 4.14Å; V5-V33 HydrophobicContact CG2-CG2 4.23Å; Y8-V33 HydrophobicContact CD1-CB 4.25Å; Y8-V33 HydrophobicContact CD1-CG1 3.7Å; Y8-V33 HydrophobicContact CD1-CG2 3.55Å; Y8-V33 HydrophobicContact CE1-CG1 3.71Å; Y8-V33 HydrophobicContact CE1-CG2 4.25Å; Y8-V33 HydrophobicContact CG-CG2 4.07Å; L9-V33 HydrophobicContact CD2-CG1 4.38Å; Y15-V33 HydrophobicContact CE1-CB 4.01Å; Y15-V33 HydrophobicContact CE1-CG1 4.44Å; Y15-V33 HydrophobicContact CE1-CG2 3.77Å; Y15-V33 WeakPolarHBondContact OH-CG1 3.46Å; L29-V33 HydrophobicContact CD1-CG2 4.28Å; L29-V33 HydrophobicContact CG-CG2 4.45Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 3.37Å; R30-V33 PolarHBondContact O-N 3.02Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 2.89Å; V33-Y36 CarbonylContact O-C 3.41Å; V33-Y36 WeakPolarHBondContact O-CA 3.47Å; V33-Y36 WeakPolarHBondContact O-CB 3.45Å; V33-Y36 PolarHBondContact O-N 3.16Å; V33-E37 HydrophobicContact CG1-CG 4.2Å; V33-E37 WeakPolarHBondContact O-CG 3.25Å; V33-E37 PolarHBondContact O-N 3.08Å |
| 34 | R | 91.3 | Very high | 90.3 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 177.7 | -173.9 | 176.9 | 173.8 | -171.6 | -9.7 | 113 | R30 W32 Y36 E37 E38 D73 D74 V77 | R30-R34 WeakPolarHBondContact O-CB 3.01Å; R30-R34 PolarHBondContact O-N 2.93Å; W32-R34 VanDerWaalsContact C-N 3.32Å; W32-R34 PolarHBondContact O-N 3.2Å; R34-Y36 VanDerWaalsContact C-N 3.31Å; R34-Y36 PolarHBondContact O-N 3.01Å; R34-E37 PolarHBondContact O-N 3.42Å; R34-E38 PolarHBondContact O-N 3.37Å; R34-D73 IonicContact CZ-OD2 3.69Å; R34-D73 VanDerWaalsContact CZ-OD2 3.26Å; R34-D73 IonicContact NH1-OD2 3.82Å; R34-D73 PolarHBondContact NH1-OD2 3.45Å; R34-D73 IonicContact NH2-OD2 2.9Å; R34-D73 PolarHBondContact NH2-OD2 3.32Å; R34-D74 IonicContact CZ-OD1 3.64Å; R34-D74 VanDerWaalsContact NH2-CG 3.33Å; R34-D74 IonicContact NH2-OD1 3.75Å; R34-D74 PolarHBondContact NH2-OD1 3.38Å; R34-D74 IonicContact NH2-OD2 2.91Å; R34-V77 HydrophobicContact CG-CG1 4.22Å; R34-V77 HydrophobicContact CG-CG2 4.36Å |
| 35 | K | 89.7 | Confident | 89.8 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.1 | -77.4 | -173.8 | 176 | -162.1 | 0 | 112.5 | G31 W32 V33 Q39 S43 F44 V77 | G31-K35 WeakPolarHBondContact O-CG 3.39Å; G31-K35 PolarHBondContact O-N 3.03Å; G31-K35 VanDerWaalsContact O-N 3.11Å; W32-K35 PolarHBondContact O-N 3.35Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 2.89Å; K35-Q39 PolarHBondContact O-N 2.96Å; K35-S43 PolarHBondContact O-OG 3.45Å; K35-F44 HydrophobicContact CB-CZ 4.23Å; K35-V77 HydrophobicContact CG-CG2 4.27Å |
| 36 | Y | 91.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 176.7 | -173.3 | -84.3 | 0 | 0 | 0 | 112.3 | L2 V5 L9 W32 V33 R34 E38 G40 E41 F44 | L2-Y36 HydrophobicContact CD2-CD2 3.99Å; L2-Y36 HydrophobicContact CD2-CE2 4.11Å; V5-Y36 HydrophobicContact CG1-CD1 3.98Å; V5-Y36 HydrophobicContact CG1-CD2 3.79Å; V5-Y36 HydrophobicContact CG1-CE2 4.45Å; V5-Y36 HydrophobicContact CG1-CG 3.5Å; V5-Y36 VanDerWaalsContact CG1-CG 3.5Å; L9-Y36 HydrophobicContact CD1-CD1 3.39Å; L9-Y36 HydrophobicContact CD1-CE1 3.28Å; L9-Y36 HydrophobicContact CD1-CG 4.3Å; W32-Y36 PolarHBondContact O-N 2.94Å; V33-Y36 CarbonylContact O-C 3.41Å; V33-Y36 WeakPolarHBondContact O-CA 3.47Å; V33-Y36 WeakPolarHBondContact O-CB 3.45Å; V33-Y36 PolarHBondContact O-N 3.16Å; R34-Y36 VanDerWaalsContact C-N 3.31Å; R34-Y36 PolarHBondContact O-N 3.01Å; Y36-E38 VanDerWaalsContact C-N 3.29Å; Y36-E38 PolarHBondContact O-N 3.26Å; Y36-G40 WeakPolarHBondContact O-CA 3.34Å; Y36-G40 PolarHBondContact O-N 3.49Å; Y36-E41 HydrophobicContact CE2-CG 3.69Å; Y36-F44 HydrophobicContact CD2-CD2 4.47Å; Y36-F44 HydrophobicContact CD2-CE2 4.05Å; Y36-F44 HydrophobicContact CG-CE2 4.49Å |
| 37 | E | 91.2 | Very high | 88.3 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 178.5 | -73.2 | 170.9 | 160.1 | 0 | 0 | 111.5 | V33 R34 | V33-E37 HydrophobicContact CG1-CG 4.2Å; V33-E37 WeakPolarHBondContact O-CG 3.25Å; V33-E37 PolarHBondContact O-N 3.08Å; R34-E37 PolarHBondContact O-N 3.42Å |
| 38 | E | 89.1 | Confident | 87.8 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80 | -42.9 | -179.2 | -169.2 | 73.4 | -166.9 | 0 | 0 | 113.7 | R34 Y36 V77 | R34-E38 PolarHBondContact O-N 3.37Å; Y36-E38 VanDerWaalsContact C-N 3.29Å; Y36-E38 PolarHBondContact O-N 3.26Å; E38-V77 HydrophobicContact CB-CG1 3.49Å; E38-V77 VanDerWaalsContact CB-CG1 3.49Å; E38-V77 HydrophobicContact CG-CG1 3.82Å |
| 39 | Q | 86.6 | Confident | 87.4 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -123.5 | -0.2 | -166.6 | -67.5 | -68.9 | -49.4 | 0 | 0 | 113.2 | K35 V42 K78 | K35-Q39 PolarHBondContact O-N 2.96Å; Q39-V42 WeakPolarHBondContact O-CB 3.42Å; Q39-K78 PolarHBondContact NE2-O 3.33Å |
| 40 | G | 90.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 25% | 0.247 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | 60 | -148.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y36 V42 S43 | Y36-G40 WeakPolarHBondContact O-CA 3.34Å; Y36-G40 PolarHBondContact O-N 3.49Å; G40-V42 PolarHBondContact O-N 3.48Å; G40-S43 PolarHBondContact O-N 3.44Å; G40-S43 PolarHBondContact O-OG 3.46Å |
| 41 | E | 88.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -66.9 | -23.2 | -178.4 | -64.7 | -174.4 | -164.7 | 0 | 0 | 113.4 | L2 R6 Y36 S43 F44 | L2-E41 HydrophobicContact CD2-CG 4.21Å; R6-E41 IonicContact CZ-OE1 3.97Å; R6-E41 IonicContact NE-OE1 2.78Å; R6-E41 IonicContact NH2-OE1 2.88Å; R6-E41 PolarHBondContact NH2-OE1 3.03Å; R6-E41 IonicContact NH2-OE2 3.9Å; R6-E41 PolarHBondContact NH2-OE2 3.37Å; R6-E41 VanDerWaalsContact NH2-OE2 3.15Å; Y36-E41 HydrophobicContact CE2-CG 3.69Å; E41-S43 PolarHBondContact O-N 3.48Å; E41-S43 VanDerWaalsContact O-N 3.16Å; E41-F44 PolarHBondContact O-N 2.94Å |
| 42 | V | 85.9 | Confident | 86.5 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.2 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111.4 | Q39 G40 F44 M45 | Q39-V42 WeakPolarHBondContact O-CB 3.42Å; G40-V42 PolarHBondContact O-N 3.48Å; V42-F44 PolarHBondContact O-N 3.45Å; V42-M45 HydrophobicContact CB-CE 3.94Å; V42-M45 HydrophobicContact CG1-CE 3.54Å; V42-M45 HydrophobicContact CG2-CE 4.06Å; V42-M45 PolarHBondContact O-N 2.83Å |
| 43 | S | 82.4 | Confident | 86.6 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 11% | 0.112 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -63.7 | -19.3 | 178.1 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | K35 G40 E41 | K35-S43 PolarHBondContact O-OG 3.45Å; G40-S43 PolarHBondContact O-N 3.44Å; G40-S43 PolarHBondContact O-OG 3.46Å; E41-S43 PolarHBondContact O-N 3.48Å; E41-S43 VanDerWaalsContact O-N 3.16Å |
| 44 | F | 85.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 16% | 0.158 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -111.2 | 6.3 | -177.7 | -58.6 | -77.9 | 0 | 0 | 0 | 113.9 | M1 L2 V5 W32 K35 Y36 E41 V42 E46 | M1-F44 HydrophobicContact CB-CD1 4.29Å; M1-F44 HydrophobicContact CG-CD1 3.83Å; M1-F44 HydrophobicContact CG-CE1 3.63Å; M1-F44 HydrophobicContact SD-CD1 3.29Å; M1-F44 WeakPolarHBondContact SD-CD1 3.23Å; M1-F44 HydrophobicContact SD-CE1 3.21Å; M1-F44 WeakPolarHBondContact SD-CE1 3.5Å; M1-F44 HydrophobicContact SD-CZ 4.49Å; L2-F44 HydrophobicContact CD1-CB 4.19Å; L2-F44 HydrophobicContact CD2-CB 3.94Å; L2-F44 HydrophobicContact CD2-CD2 3.25Å; L2-F44 HydrophobicContact CD2-CE2 3.9Å; L2-F44 HydrophobicContact CD2-CG 3.72Å; L2-F44 HydrophobicContact CG-CB 3.93Å; L2-F44 HydrophobicContact CG-CD2 4.09Å; L2-F44 HydrophobicContact CG-CG 4.04Å; V5-F44 HydrophobicContact CG2-CZ 4.36Å; W32-F44 HydrophobicContact CB-CE1 4.07Å; W32-F44 HydrophobicContact CB-CZ 3.92Å; W32-F44 HydrophobicContact CG-CE1 4.21Å; W32-F44 WeakPolarHBondContact O-CZ 3.21Å; K35-F44 HydrophobicContact CB-CZ 4.23Å; Y36-F44 HydrophobicContact CD2-CD2 4.47Å; Y36-F44 HydrophobicContact CD2-CE2 4.05Å; Y36-F44 HydrophobicContact CG-CE2 4.49Å; E41-F44 PolarHBondContact O-N 2.94Å; V42-F44 PolarHBondContact O-N 3.45Å; F44-E46 PolarHBondContact O-N 2.72Å |
| 45 | M | 83 | Confident | 86.8 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 131.3 | 175.2 | -74.1 | -163.3 | -75.6 | 0 | 0 | 110.9 | V42 R47 | V42-M45 HydrophobicContact CB-CE 3.94Å; V42-M45 HydrophobicContact CG1-CE 3.54Å; V42-M45 HydrophobicContact CG2-CE 4.06Å; V42-M45 PolarHBondContact O-N 2.83Å; M45-R47 PolarHBondContact O-N 3.28Å |
| 46 | E | 80 | Confident | 87.1 | Confident | 199 Ų | 199 | 85.5 Ų | 85.5 | 93% | 0.93 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 131.5 | 173.9 | -66.1 | -172.7 | 173 | 0 | 0 | 109.7 | F44 | F44-E46 PolarHBondContact O-N 2.72Š|
| 47 | R | 77.3 | Confident | 87.3 | Confident | 116 Ų | 116 | 86 Ų | 86 | 44% | 0.438 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 138.7 | 179.2 | -60.5 | 178.4 | -176.1 | 171.8 | -0.2 | 109 | M45 G49 A51 N80 | M45-R47 PolarHBondContact O-N 3.28Å; R47-G49 PolarHBondContact O-N 3.47Å; R47-A51 VanDerWaalsContact NH1-CB 3.3Å; R47-N80 PolarHBondContact NH2-ND2 3.23Å; R47-N80 VanDerWaalsContact NH2-ND2 3.14Å; R47-N80 PolarHBondContact NH2-O 3.44Å |
| 48 | A | 80 | Confident | 87.6 | Confident | 114 Ų | 114 | 81.4 Ų | 81.4 | 94% | 0.942 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -69.9 | 95.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 49 | G | 82 | Confident | 88 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 61% | 0.608 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 77.6 | -155.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R47 | R47-G49 PolarHBondContact O-N 3.47Š|
| 50 | N | 85 | Confident | 88.4 | Confident | 156 Ų | 156 | 76.9 Ų | 76.9 | 83% | 0.834 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.8 | 143.3 | -172.9 | -69 | -8.2 | 0 | 0 | 0 | 112 | S52 | N50-S52 PolarHBondContact O-N 2.58Š|
| 51 | A | 85.7 | Confident | 88.7 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | trans | -60.9 | 126.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R47 Y53 | R47-A51 VanDerWaalsContact NH1-CB 3.3Å; A51-Y53 HydrophobicContact CB-CE2 3.72Å | ||
| 52 | S | 88.2 | Confident | 89.1 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | trans | -110.7 | 143.6 | 170.7 | 97.2 | 0 | 0 | 0 | 0 | 109.4 | N50 | N50-S52 PolarHBondContact O-N 2.58Š| ||
| 53 | Y | 92.5 | Very high | 89.7 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 10% | 0.102 | 40% | 0.399 | C | S | . | . | trans | -131.9 | 134.7 | -177.5 | -60 | -79.5 | 0 | 0 | 0 | 108 | A51 F57 K58 I81 S82 V86 W90 | A51-Y53 HydrophobicContact CB-CE2 3.72Å; Y53-F57 AromaticContact CD1-CD1 3.54Å; Y53-F57 HydrophobicContact CD1-CD1 3.54Å; Y53-F57 AromaticContact CD1-CE1 3.26Å; Y53-F57 HydrophobicContact CD1-CE1 3.26Å; Y53-F57 HydrophobicContact CD1-CZ 4.14Å; Y53-F57 HydrophobicContact CE1-CD1 4.44Å; Y53-F57 AromaticContact CE1-CE1 3.73Å; Y53-F57 HydrophobicContact CE1-CE1 3.73Å; Y53-F57 HydrophobicContact CE1-CZ 4.33Å; Y53-F57 HydrophobicContact CG-CD1 4.15Å; Y53-F57 HydrophobicContact CG-CE1 4.2Å; Y53-K58 WeakPolarHBondContact O-CE 3.35Å; Y53-I81 WeakPolarHBondContact OH-CA 3.18Å; Y53-S82 PolarHBondContact OH-N 3.47Å; Y53-V86 HydrophobicContact CE2-CG1 4.37Å; Y53-W90 AromaticContact CD1-CH2 3.91Å; Y53-W90 HydrophobicContact CD1-CH2 3.91Å; Y53-W90 AromaticContact CD2-CH2 3.53Å; Y53-W90 HydrophobicContact CD2-CH2 3.53Å; Y53-W90 AromaticContact CD2-CZ2 3.41Å; Y53-W90 HydrophobicContact CD2-CZ2 3.41Å; Y53-W90 VanDerWaalsContact CD2-CZ2 3.41Å; Y53-W90 HydrophobicContact CE1-CH2 4.27Å; Y53-W90 AromaticContact CE2-CH2 3.93Å; Y53-W90 HydrophobicContact CE2-CH2 3.93Å; Y53-W90 HydrophobicContact CE2-CZ2 4Å; Y53-W90 AromaticContact CG-CH2 3.49Å; Y53-W90 HydrophobicContact CG-CH2 3.49Å; Y53-W90 VanDerWaalsContact CG-CH2 3.49Å; Y53-W90 AromaticContact CG-CZ2 3.72Å; Y53-W90 HydrophobicContact CG-CZ2 3.72Å | ||
| 54 | S | 94.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 69.9 Ų | 69.9 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | trans | -71.6 | 157.9 | 176.4 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | E56 F57 K58 D102 | S54-E56 VanDerWaalsContact C-N 3.26Å; S54-E56 PolarHBondContact O-N 3.46Å; S54-F57 PolarHBondContact O-N 2.83Å; S54-F57 VanDerWaalsContact OG-CB 3.25Å; S54-F57 WeakPolarHBondContact OG-CB 3.23Å; S54-F57 PolarHBondContact OG-N 3.42Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.32Å; S54-K58 PolarHBondContact O-N 2.66Å; S54-D102 VanDerWaalsContact C-OD1 3.32Å; S54-D102 WeakPolarHBondContact CA-OD1 3.47Å; S54-D102 WeakPolarHBondContact CB-OD1 3.06Å | ||
| 55 | K | 94.7 | Very high | 90.9 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 39% | 0.391 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55 | -43.7 | 176.1 | 64.9 | -179 | -173.9 | 176.3 | 0 | 111.6 | K58 A59 L100 D102 | K55-K58 PolarHBondContact O-N 3.11Å; K55-A59 WeakPolarHBondContact O-CB 3.49Å; K55-A59 PolarHBondContact O-N 2.81Å; K55-L100 WeakPolarHBondContact CB-O 3.3Å; K55-D102 WeakPolarHBondContact CD-OD2 3.37Å; K55-D102 PolarHBondContact N-OD1 2.86Å |
| 56 | E | 95.3 | Very high | 91.4 | Very high | 144 Ų | 144 | 67.8 Ų | 67.8 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | -179.2 | -64.2 | 177.1 | -178 | 0 | 0 | 110.7 | S54 A59 S60 | S54-E56 VanDerWaalsContact C-N 3.26Å; S54-E56 PolarHBondContact O-N 3.46Å; E56-A59 PolarHBondContact O-N 2.94Å; E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.34Å |
| 57 | F | 96.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 175.6 | 179.5 | -89 | 0 | 0 | 0 | 111.8 | Y53 S54 A59 S60 C61 Y79 I81 W90 | Y53-F57 AromaticContact CD1-CD1 3.54Å; Y53-F57 HydrophobicContact CD1-CD1 3.54Å; Y53-F57 AromaticContact CD1-CE1 3.26Å; Y53-F57 HydrophobicContact CD1-CE1 3.26Å; Y53-F57 HydrophobicContact CD1-CZ 4.14Å; Y53-F57 HydrophobicContact CE1-CD1 4.44Å; Y53-F57 AromaticContact CE1-CE1 3.73Å; Y53-F57 HydrophobicContact CE1-CE1 3.73Å; Y53-F57 HydrophobicContact CE1-CZ 4.33Å; Y53-F57 HydrophobicContact CG-CD1 4.15Å; Y53-F57 HydrophobicContact CG-CE1 4.2Å; S54-F57 PolarHBondContact O-N 2.83Å; S54-F57 VanDerWaalsContact OG-CB 3.25Å; S54-F57 WeakPolarHBondContact OG-CB 3.23Å; S54-F57 PolarHBondContact OG-N 3.42Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 3.21Å; F57-S60 PolarHBondContact O-N 3.15Å; F57-C61 VanDerWaalsContact CE1-SG 3.51Å; F57-C61 PolarHBondContact O-N 3.38Å; F57-C61 PolarHBondContact O-SG 2.68Å; F57-Y79 HydrophobicContact CE2-CD1 4.07Å; F57-Y79 HydrophobicContact CZ-CD1 4.3Å; F57-Y79 WeakPolarHBondContact CZ-O 3.37Å; F57-I81 HydrophobicContact CE1-CG1 4.48Å; F57-W90 HydrophobicContact CE1-CH2 4.37Å; F57-W90 HydrophobicContact CE1-CZ3 4.4Å |
| 58 | K | 97 | Very high | 92.9 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 176.5 | -67.3 | 172 | -175.8 | 171.6 | 0 | 110.8 | Y53 S54 K55 S60 C61 V62 W90 L100 K101 | Y53-K58 WeakPolarHBondContact O-CE 3.35Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.32Å; S54-K58 PolarHBondContact O-N 2.66Å; K55-K58 PolarHBondContact O-N 3.11Å; K58-S60 PolarHBondContact O-N 3.47Å; K58-C61 PolarHBondContact O-N 3.06Å; K58-V62 WeakPolarHBondContact O-CG2 3.01Å; K58-V62 PolarHBondContact O-N 3.16Å; K58-W90 HydrophobicContact CB-CD2 4.11Å; K58-W90 HydrophobicContact CB-CE3 4.17Å; K58-W90 HydrophobicContact CB-CG 4.46Å; K58-W90 HydrophobicContact CD-CD2 4.42Å; K58-W90 HydrophobicContact CD-CZ2 4.3Å; K58-W90 HydrophobicContact CG-CD2 3.85Å; K58-W90 HydrophobicContact CG-CE3 4.1Å; K58-W90 HydrophobicContact CG-CG 4.43Å; K58-W90 HydrophobicContact CG-CH2 4.02Å; K58-W90 HydrophobicContact CG-CZ2 3.74Å; K58-W90 HydrophobicContact CG-CZ3 4.18Å; K58-L100 HydrophobicContact CB-CB 4.31Å; K58-L100 HydrophobicContact CB-CD1 4.01Å; K58-L100 HydrophobicContact CD-CB 4.36Å; K58-K101 PolarHBondContact NZ-O 2.97Å |
| 59 | A | 96.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K55 E56 F57 C61 V62 L63 | K55-A59 WeakPolarHBondContact O-CB 3.49Å; K55-A59 PolarHBondContact O-N 2.81Å; E56-A59 PolarHBondContact O-N 2.94Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 3.21Å; A59-C61 VanDerWaalsContact C-N 3.34Å; A59-C61 PolarHBondContact O-N 2.95Å; A59-V62 PolarHBondContact O-N 2.98Å; A59-L63 WeakPolarHBondContact O-CB 3.09Å; A59-L63 WeakPolarHBondContact O-CG 3.25Å; A59-L63 PolarHBondContact O-N 3.05Å |
| 60 | S | 96.5 | Very high | 94 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 176 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | E56 F57 K58 L63 A64 | E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.34Å; F57-S60 PolarHBondContact O-N 3.15Å; K58-S60 PolarHBondContact O-N 3.47Å; S60-L63 PolarHBondContact O-N 3.43Å; S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.35Å |
| 61 | C | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 178 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | F57 K58 A59 A64 A65 I81 L87 W90 | F57-C61 VanDerWaalsContact CE1-SG 3.51Å; F57-C61 PolarHBondContact O-N 3.38Å; F57-C61 PolarHBondContact O-SG 2.68Å; K58-C61 PolarHBondContact O-N 3.06Å; A59-C61 VanDerWaalsContact C-N 3.34Å; A59-C61 PolarHBondContact O-N 2.95Å; C61-A64 PolarHBondContact O-N 3.2Å; C61-A65 PolarHBondContact O-N 3.43Å; C61-I81 HydrophobicContact CB-CD1 4.07Å; C61-L87 HydrophobicContact CB-CD1 3.93Å; C61-W90 HydrophobicContact CB-CE3 4.39Å; C61-W90 HydrophobicContact CB-CZ3 4.27Å |
| 62 | V | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.8 | K58 A59 A64 A65 L66 W90 I91 Y94 L100 | K58-V62 WeakPolarHBondContact O-CG2 3.01Å; K58-V62 PolarHBondContact O-N 3.16Å; A59-V62 PolarHBondContact O-N 2.98Å; V62-A64 VanDerWaalsContact C-N 3.32Å; V62-A64 PolarHBondContact O-N 3.41Å; V62-A65 WeakPolarHBondContact O-CB 3.47Å; V62-A65 PolarHBondContact O-N 3.48Å; V62-A65 VanDerWaalsContact O-N 3.07Å; V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 HydrophobicContact CG1-CG 4.31Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 3.36Å; V62-W90 HydrophobicContact CG2-CB 3.61Å; V62-I91 HydrophobicContact CB-CG1 4.48Å; V62-I91 HydrophobicContact CG1-CG1 4.21Å; V62-I91 HydrophobicContact CG2-CG1 4.05Å; V62-Y94 HydrophobicContact CG1-CD1 3.9Å; V62-Y94 HydrophobicContact CG1-CD2 4.07Å; V62-Y94 HydrophobicContact CG1-CG 3.65Å; V62-L100 HydrophobicContact CG2-CD1 4.12Å |
| 63 | L | 96.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.9 | -70.6 | 175.3 | 0 | 0 | 0 | 112 | A59 S60 A65 L66 R67 | A59-L63 WeakPolarHBondContact O-CB 3.09Å; A59-L63 WeakPolarHBondContact O-CG 3.25Å; A59-L63 PolarHBondContact O-N 3.05Å; S60-L63 PolarHBondContact O-N 3.43Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.41Å; L63-L66 PolarHBondContact O-N 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 2.94Å |
| 64 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S60 C61 V62 G68 E69 I75 Y79 | S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.35Å; C61-A64 PolarHBondContact O-N 3.2Å; V62-A64 VanDerWaalsContact C-N 3.32Å; V62-A64 PolarHBondContact O-N 3.41Å; A64-G68 PolarHBondContact O-N 2.84Å; A64-E69 WeakPolarHBondContact CA-OE1 3.41Å; A64-E69 HydrophobicContact CB-CB 4.49Å; A64-E69 HydrophobicContact CB-CG 4.45Å; A64-E69 WeakPolarHBondContact O-CB 3.14Å; A64-E69 PolarHBondContact O-N 3.22Å; A64-E69 VanDerWaalsContact O-N 3.13Å; A64-I75 HydrophobicContact CB-CD1 4.42Å; A64-Y79 HydrophobicContact CB-CE2 3.95Å |
| 65 | A | 95.6 | Very high | 95 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C61 V62 L63 G68 I75 I91 | C61-A65 PolarHBondContact O-N 3.43Å; V62-A65 WeakPolarHBondContact O-CB 3.47Å; V62-A65 PolarHBondContact O-N 3.48Å; V62-A65 VanDerWaalsContact O-N 3.07Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.41Å; A65-G68 PolarHBondContact O-N 3.11Å; A65-I75 HydrophobicContact CB-CD1 3.49Å; A65-I75 VanDerWaalsContact CB-CD1 3.49Å; A65-I91 HydrophobicContact CB-CD1 3.77Å; A65-I91 HydrophobicContact CB-CG1 4.39Å |
| 66 | L | 94.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.4 | -32 | -179.9 | -66.4 | 177.3 | 0 | 0 | 0 | 112.9 | V62 L63 G68 Y94 | V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 HydrophobicContact CG1-CG 4.31Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 3.36Å; L63-L66 PolarHBondContact O-N 3.26Å; L66-G68 PolarHBondContact O-N 3.43Å; L66-Y94 HydrophobicContact CD1-CD1 3.87Å; L66-Y94 HydrophobicContact CD1-CE1 3.64Å |
| 67 | R | 95.7 | Very high | 94.7 | Very high | 151 Ų | 151 | 43.7 Ų | 43.7 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9 | 173.4 | -74.2 | -169.5 | -64.5 | -107.7 | 1.2 | 113.6 | L63 E69 | L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 2.94Å; R67-E69 HydrophobicContact CB-CG 4.22Å; R67-E69 IonicContact CZ-OE1 3.22Å; R67-E69 VanDerWaalsContact CZ-OE1 3.22Å; R67-E69 IonicContact NE-OE1 2.85Å; R67-E69 PolarHBondContact NE-OE1 3.47Å; R67-E69 IonicContact NH2-OE1 2.72Å; R67-E69 PolarHBondContact NH2-OE1 3.27Å |
| 68 | G | 93.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 30 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A64 A65 L66 G70 | A64-G68 PolarHBondContact O-N 2.84Å; A65-G68 PolarHBondContact O-N 3.11Å; L66-G68 PolarHBondContact O-N 3.43Å; G68-G70 PolarHBondContact O-N 2.95Å; G68-G70 VanDerWaalsContact O-N 3.08Å |
| 69 | E | 93.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63.9 | -11.9 | 177.4 | -68.5 | 179.7 | -148.6 | 0 | 0 | 113.4 | A64 R67 K78 | A64-E69 WeakPolarHBondContact CA-OE1 3.41Å; A64-E69 HydrophobicContact CB-CB 4.49Å; A64-E69 HydrophobicContact CB-CG 4.45Å; A64-E69 WeakPolarHBondContact O-CB 3.14Å; A64-E69 PolarHBondContact O-N 3.22Å; A64-E69 VanDerWaalsContact O-N 3.13Å; R67-E69 HydrophobicContact CB-CG 4.22Å; R67-E69 IonicContact CZ-OE1 3.22Å; R67-E69 VanDerWaalsContact CZ-OE1 3.22Å; R67-E69 IonicContact NE-OE1 2.85Å; R67-E69 PolarHBondContact NE-OE1 3.47Å; R67-E69 IonicContact NH2-OE1 2.72Å; R67-E69 PolarHBondContact NH2-OE1 3.27Å; E69-K78 IonicContact OE2-NZ 3.05Å; E69-K78 PolarHBondContact OE2-NZ 2.96Å |
| 70 | G | 90.8 | Very high | 94 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 171.9 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G68 | G68-G70 PolarHBondContact O-N 2.95Å; G68-G70 VanDerWaalsContact O-N 3.08Å |
| 71 | S | 92.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | trans | -66 | 164.9 | 169 | 74 | 0 | 0 | 0 | 0 | 110.6 | D73 D74 I75 | S71-D73 PolarHBondContact O-N 2.93Å; S71-D73 VanDerWaalsContact O-N 3.1Å; S71-D73 PolarHBondContact OG-N 2.95Å; S71-D74 WeakPolarHBondContact CA-OD2 3.41Å; S71-D74 VanDerWaalsContact CB-OD2 3.24Å; S71-D74 WeakPolarHBondContact CB-OD2 3.37Å; S71-D74 PolarHBondContact N-OD2 2.88Å; S71-D74 WeakPolarHBondContact O-CB 3.4Å; S71-D74 PolarHBondContact O-N 2.81Å; S71-D74 PolarHBondContact OG-N 3.15Å; S71-D74 PolarHBondContact OG-OD2 3.39Å; S71-I75 WeakPolarHBondContact O-CG1 3.41Å; S71-I75 PolarHBondContact O-N 3.46Å; S71-I75 VanDerWaalsContact O-N 3.09Å | ||
| 72 | I | 93 | Very high | 93.4 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -50.9 | -37.7 | 172.5 | -67.5 | 176.5 | 0 | 0 | 0 | 111 | I75 I76 H84 L87 R88 | I72-I75 PolarHBondContact O-N 3.04Å; I72-I76 HydrophobicContact CG2-CD1 3.66Å; I72-I76 HydrophobicContact CG2-CG1 4.5Å; I72-I76 VanDerWaalsContact O-CD1 3.23Å; I72-I76 WeakPolarHBondContact O-CD1 3.4Å; I72-I76 WeakPolarHBondContact O-CG1 3.32Å; I72-I76 PolarHBondContact O-N 3.47Å; I72-H84 HydrophobicContact CG2-CB 4.48Å; I72-L87 HydrophobicContact CG2-CD2 4.18Å; I72-R88 HydrophobicContact CD1-CG 4.1Å |
| 73 | D | 92 | Very high | 93 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.4 | -39.7 | -179.3 | -161 | 59.1 | 0 | 0 | 0 | 112.3 | R34 S71 I75 I76 V77 H84 | R34-D73 IonicContact CZ-OD2 3.69Å; R34-D73 VanDerWaalsContact CZ-OD2 3.26Å; R34-D73 IonicContact NH1-OD2 3.82Å; R34-D73 PolarHBondContact NH1-OD2 3.45Å; R34-D73 IonicContact NH2-OD2 2.9Å; R34-D73 PolarHBondContact NH2-OD2 3.32Å; S71-D73 PolarHBondContact O-N 2.93Å; S71-D73 VanDerWaalsContact O-N 3.1Å; S71-D73 PolarHBondContact OG-N 2.95Å; D73-I75 VanDerWaalsContact C-N 3.32Å; D73-I75 PolarHBondContact O-N 3.4Å; D73-I76 PolarHBondContact O-N 2.7Å; D73-V77 WeakPolarHBondContact O-CG2 3.31Å; D73-V77 PolarHBondContact O-N 2.76Å; D73-H84 IonicContact OD1-CD2 3.71Å; D73-H84 IonicContact OD1-CE1 2.89Å; D73-H84 PolarHBondContact OD1-CE1 2.88Å; D73-H84 VanDerWaalsContact OD1-CE1 3.23Å; D73-H84 IonicContact OD1-NE2 3.98Å; D73-H84 PolarHBondContact OD1-NE2 3.22Å |
| 74 | D | 93.1 | Very high | 92.9 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 173.8 | -63.4 | -60.1 | 0 | 0 | 0 | 110.9 | R34 S71 I76 V77 K78 | R34-D74 IonicContact CZ-OD1 3.64Å; R34-D74 VanDerWaalsContact NH2-CG 3.33Å; R34-D74 IonicContact NH2-OD1 3.75Å; R34-D74 PolarHBondContact NH2-OD1 3.38Å; R34-D74 IonicContact NH2-OD2 2.91Å; S71-D74 WeakPolarHBondContact CA-OD2 3.41Å; S71-D74 VanDerWaalsContact CB-OD2 3.24Å; S71-D74 WeakPolarHBondContact CB-OD2 3.37Å; S71-D74 PolarHBondContact N-OD2 2.88Å; S71-D74 WeakPolarHBondContact O-CB 3.4Å; S71-D74 PolarHBondContact O-N 2.81Å; S71-D74 PolarHBondContact OG-N 3.15Å; S71-D74 PolarHBondContact OG-OD2 3.39Å; D74-I76 PolarHBondContact O-N 2.93Å; D74-V77 PolarHBondContact O-N 2.98Å; D74-K78 VanDerWaalsContact O-CB 3.23Å; D74-K78 WeakPolarHBondContact O-CB 3.32Å; D74-K78 PolarHBondContact O-N 2.92Å |
| 75 | I | 95 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | -178.2 | -63.1 | 169.8 | 0 | 0 | 0 | 110.9 | A64 A65 S71 I72 D73 V77 K78 Y79 L87 | A64-I75 HydrophobicContact CB-CD1 4.42Å; A65-I75 HydrophobicContact CB-CD1 3.49Å; A65-I75 VanDerWaalsContact CB-CD1 3.49Å; S71-I75 WeakPolarHBondContact O-CG1 3.41Å; S71-I75 PolarHBondContact O-N 3.46Å; S71-I75 VanDerWaalsContact O-N 3.09Å; I72-I75 PolarHBondContact O-N 3.04Å; D73-I75 VanDerWaalsContact C-N 3.32Å; D73-I75 PolarHBondContact O-N 3.4Å; I75-V77 VanDerWaalsContact C-N 3.31Å; I75-V77 PolarHBondContact O-N 3.32Å; I75-K78 PolarHBondContact O-N 2.89Å; I75-Y79 HydrophobicContact CG2-CD2 3.63Å; I75-Y79 HydrophobicContact CG2-CE2 4.03Å; I75-Y79 WeakPolarHBondContact O-CB 3.12Å; I75-Y79 WeakPolarHBondContact O-CD2 3.3Å; I75-Y79 PolarHBondContact O-N 3.43Å; I75-L87 HydrophobicContact CB-CD2 3.98Å; I75-L87 HydrophobicContact CG2-CD2 3.61Å |
| 76 | I | 93.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.5 | -74.2 | 161.2 | 0 | 0 | 0 | 111.5 | I72 D73 D74 N80 I81 H84 L87 | I72-I76 HydrophobicContact CG2-CD1 3.66Å; I72-I76 HydrophobicContact CG2-CG1 4.5Å; I72-I76 VanDerWaalsContact O-CD1 3.23Å; I72-I76 WeakPolarHBondContact O-CD1 3.4Å; I72-I76 WeakPolarHBondContact O-CG1 3.32Å; I72-I76 PolarHBondContact O-N 3.47Å; D73-I76 PolarHBondContact O-N 2.7Å; D74-I76 PolarHBondContact O-N 2.93Å; I76-N80 CarbonylContact O-C 3.56Å; I76-N80 VanDerWaalsContact O-CA 3.23Å; I76-N80 WeakPolarHBondContact O-CA 3.34Å; I76-N80 PolarHBondContact O-N 2.69Å; I76-I81 HydrophobicContact CB-CB 4.42Å; I76-I81 HydrophobicContact CG1-CB 4.17Å; I76-I81 HydrophobicContact CG1-CD1 4.42Å; I76-I81 HydrophobicContact CG2-CB 4.27Å; I76-I81 WeakPolarHBondContact CG2-O 3.39Å; I76-I81 PolarHBondContact O-N 2.85Å; I76-H84 HydrophobicContact CD1-CB 3.78Å; I76-H84 WeakPolarHBondContact CD1-CD2 3.48Å; I76-L87 HydrophobicContact CG1-CB 4.35Å; I76-L87 HydrophobicContact CG1-CD2 3.99Å |
| 77 | V | 91.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -49.4 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | R34 K35 E38 D73 D74 I75 Y79 N80 | R34-V77 HydrophobicContact CG-CG1 4.22Å; R34-V77 HydrophobicContact CG-CG2 4.36Å; K35-V77 HydrophobicContact CG-CG2 4.27Å; E38-V77 HydrophobicContact CB-CG1 3.49Å; E38-V77 VanDerWaalsContact CB-CG1 3.49Å; E38-V77 HydrophobicContact CG-CG1 3.82Å; D73-V77 WeakPolarHBondContact O-CG2 3.31Å; D73-V77 PolarHBondContact O-N 2.76Å; D74-V77 PolarHBondContact O-N 2.98Å; I75-V77 VanDerWaalsContact C-N 3.31Å; I75-V77 PolarHBondContact O-N 3.32Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 PolarHBondContact O-N 3.32Å; V77-N80 PolarHBondContact O-N 3.06Å |
| 78 | K | 92.3 | Very high | 93 | Very high | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56 | -42.8 | 178.5 | -177.7 | 177.2 | 178.5 | -179.9 | 0 | 113.2 | Q39 E69 D74 I75 | Q39-K78 PolarHBondContact NE2-O 3.33Å; E69-K78 IonicContact OE2-NZ 3.05Å; E69-K78 PolarHBondContact OE2-NZ 2.96Å; D74-K78 VanDerWaalsContact O-CB 3.23Å; D74-K78 WeakPolarHBondContact O-CB 3.32Å; D74-K78 PolarHBondContact O-N 2.92Å; I75-K78 PolarHBondContact O-N 2.89Å |
| 79 | Y | 92.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 8.5 | -178.1 | -67.7 | -80.7 | 0 | 0 | 0 | 113.4 | F57 A64 I75 V77 I81 | F57-Y79 HydrophobicContact CE2-CD1 4.07Å; F57-Y79 HydrophobicContact CZ-CD1 4.3Å; F57-Y79 WeakPolarHBondContact CZ-O 3.37Å; A64-Y79 HydrophobicContact CB-CE2 3.95Å; I75-Y79 HydrophobicContact CG2-CD2 3.63Å; I75-Y79 HydrophobicContact CG2-CE2 4.03Å; I75-Y79 WeakPolarHBondContact O-CB 3.12Å; I75-Y79 WeakPolarHBondContact O-CD2 3.3Å; I75-Y79 PolarHBondContact O-N 3.43Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 PolarHBondContact O-N 3.32Å; Y79-I81 PolarHBondContact O-N 3.12Å; Y79-I81 VanDerWaalsContact O-N 3.16Å |
| 80 | N | 90.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 44 | -178.5 | -164.9 | 21.2 | 0 | 0 | 0 | 114.2 | R47 I76 V77 | R47-N80 PolarHBondContact NH2-ND2 3.23Å; R47-N80 VanDerWaalsContact NH2-ND2 3.14Å; R47-N80 PolarHBondContact NH2-O 3.44Å; I76-N80 CarbonylContact O-C 3.56Å; I76-N80 VanDerWaalsContact O-CA 3.23Å; I76-N80 WeakPolarHBondContact O-CA 3.34Å; I76-N80 PolarHBondContact O-N 2.69Å; V77-N80 PolarHBondContact O-N 3.06Å |
| 81 | I | 92 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -72.6 | 142.1 | 177.7 | -57.1 | 171.3 | 0 | 0 | 0 | 108.6 | Y53 F57 C61 I76 Y79 S83 V86 L87 W90 | Y53-I81 WeakPolarHBondContact OH-CA 3.18Å; F57-I81 HydrophobicContact CE1-CG1 4.48Å; C61-I81 HydrophobicContact CB-CD1 4.07Å; I76-I81 HydrophobicContact CB-CB 4.42Å; I76-I81 HydrophobicContact CG1-CB 4.17Å; I76-I81 HydrophobicContact CG1-CD1 4.42Å; I76-I81 HydrophobicContact CG2-CB 4.27Å; I76-I81 WeakPolarHBondContact CG2-O 3.39Å; I76-I81 PolarHBondContact O-N 2.85Å; Y79-I81 PolarHBondContact O-N 3.12Å; Y79-I81 VanDerWaalsContact O-N 3.16Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.31Å; I81-V86 HydrophobicContact CG2-CB 4.13Å; I81-V86 HydrophobicContact CG2-CG1 3.95Å; I81-L87 HydrophobicContact CD1-CB 4.12Å; I81-L87 HydrophobicContact CD1-CD1 4.11Å; I81-L87 HydrophobicContact CD1-CD2 4.06Å; I81-L87 HydrophobicContact CD1-CG 4.32Å; I81-W90 HydrophobicContact CD1-CZ3 3.89Å; I81-W90 HydrophobicContact CG1-CZ3 4.28Å; I81-W90 HydrophobicContact CG2-CH2 4.25Å; I81-W90 HydrophobicContact CG2-CZ3 4.34Å | ||
| 82 | S | 89.1 | Confident | 93.9 | Very high | 65 Ų | 65 | 49.6 Ų | 49.6 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -66.9 | -32.1 | -173.2 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | Y53 | Y53-S82 PolarHBondContact OH-N 3.47Š|
| 83 | S | 90.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | trans | -159.2 | 151.7 | -174.4 | 173.6 | 0 | 0 | 0 | 0 | 113.2 | I81 S85 V86 L87 | I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.31Å; S83-S85 PolarHBondContact O-N 2.95Å; S83-S85 PolarHBondContact OG-N 3.14Å; S83-V86 WeakPolarHBondContact O-CB 3.28Å; S83-V86 PolarHBondContact O-N 3.16Å; S83-V86 VanDerWaalsContact O-N 3.15Å; S83-L87 PolarHBondContact O-N 3.31Å | ||
| 84 | H | 93.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 171.3 | -56.8 | 68.1 | 0 | 0 | 0 | 113.3 | I72 D73 I76 V86 L87 R88 | I72-H84 HydrophobicContact CG2-CB 4.48Å; D73-H84 IonicContact OD1-CD2 3.71Å; D73-H84 IonicContact OD1-CE1 2.89Å; D73-H84 PolarHBondContact OD1-CE1 2.88Å; D73-H84 VanDerWaalsContact OD1-CE1 3.23Å; D73-H84 IonicContact OD1-NE2 3.98Å; D73-H84 PolarHBondContact OD1-NE2 3.22Å; I76-H84 HydrophobicContact CD1-CB 3.78Å; I76-H84 WeakPolarHBondContact CD1-CD2 3.48Å; H84-V86 PolarHBondContact O-N 3.39Å; H84-L87 PolarHBondContact O-N 2.78Å; H84-R88 VanDerWaalsContact CB-NH1 3.33Å; H84-R88 WeakPolarHBondContact O-CB 3.28Å; H84-R88 VanDerWaalsContact O-CG 3.3Å; H84-R88 WeakPolarHBondContact O-CG 3.35Å; H84-R88 PolarHBondContact O-N 2.79Å |
| 85 | S | 96.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.2 | -32.1 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | S83 H89 | S83-S85 PolarHBondContact O-N 2.95Å; S83-S85 PolarHBondContact OG-N 3.14Å; S85-H89 WeakPolarHBondContact O-CB 3.21Å; S85-H89 PolarHBondContact O-N 3.05Å |
| 86 | V | 95.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 24% | 0.242 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -52.4 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Y53 I81 S83 H84 R88 H89 W90 | Y53-V86 HydrophobicContact CE2-CG1 4.37Å; I81-V86 HydrophobicContact CG2-CB 4.13Å; I81-V86 HydrophobicContact CG2-CG1 3.95Å; S83-V86 WeakPolarHBondContact O-CB 3.28Å; S83-V86 PolarHBondContact O-N 3.16Å; S83-V86 VanDerWaalsContact O-N 3.15Å; H84-V86 PolarHBondContact O-N 3.39Å; V86-R88 PolarHBondContact O-N 2.95Å; V86-H89 PolarHBondContact O-N 2.88Å; V86-W90 HydrophobicContact CG1-CD2 4.11Å; V86-W90 HydrophobicContact CG1-CE3 4.5Å; V86-W90 HydrophobicContact CG1-CH2 3.6Å; V86-W90 HydrophobicContact CG1-CZ2 3.09Å; V86-W90 HydrophobicContact CG1-CZ3 4.28Å; V86-W90 PolarHBondContact O-N 3.22Å; V86-W90 VanDerWaalsContact O-N 3.08Å |
| 87 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.4 | 179.7 | 56.7 | 0 | 0 | 0 | 111.8 | C61 I72 I75 I76 I81 S83 H84 H89 W90 I91 | C61-L87 HydrophobicContact CB-CD1 3.93Å; I72-L87 HydrophobicContact CG2-CD2 4.18Å; I75-L87 HydrophobicContact CB-CD2 3.98Å; I75-L87 HydrophobicContact CG2-CD2 3.61Å; I76-L87 HydrophobicContact CG1-CB 4.35Å; I76-L87 HydrophobicContact CG1-CD2 3.99Å; I81-L87 HydrophobicContact CD1-CB 4.12Å; I81-L87 HydrophobicContact CD1-CD1 4.11Å; I81-L87 HydrophobicContact CD1-CD2 4.06Å; I81-L87 HydrophobicContact CD1-CG 4.32Å; S83-L87 PolarHBondContact O-N 3.31Å; H84-L87 PolarHBondContact O-N 2.78Å; L87-H89 VanDerWaalsContact C-N 3.28Å; L87-H89 PolarHBondContact O-N 3.37Å; L87-W90 HydrophobicContact CD1-CE3 3.97Å; L87-W90 PolarHBondContact O-N 3.43Å; L87-W90 VanDerWaalsContact O-N 3.16Å; L87-I91 HydrophobicContact CD1-CD1 4.25Å; L87-I91 HydrophobicContact CD1-CG1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4Å; L87-I91 HydrophobicContact CG-CG1 4.5Å; L87-I91 WeakPolarHBondContact O-CG1 3.45Å; L87-I91 PolarHBondContact O-N 3.37Å |
| 88 | R | 97.2 | Very high | 94.7 | Very high | 130 Ų | 130 | 68.3 Ų | 68.3 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 176 | -74.4 | -176.9 | -171 | 120 | 2.1 | 112.3 | I72 H84 V86 I91 K92 | I72-R88 HydrophobicContact CD1-CG 4.1Å; H84-R88 VanDerWaalsContact CB-NH1 3.33Å; H84-R88 WeakPolarHBondContact O-CB 3.28Å; H84-R88 VanDerWaalsContact O-CG 3.3Å; H84-R88 WeakPolarHBondContact O-CG 3.35Å; H84-R88 PolarHBondContact O-N 2.79Å; V86-R88 PolarHBondContact O-N 2.95Å; R88-I91 PolarHBondContact O-N 3.14Å; R88-K92 WeakPolarHBondContact O-CB 3.32Å; R88-K92 PolarHBondContact O-N 2.91Å |
| 89 | H | 96.8 | Very high | 94.6 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.1 | -178 | 69.6 | 0 | 0 | 0 | 111.8 | S85 V86 L87 K92 Q93 | S85-H89 WeakPolarHBondContact O-CB 3.21Å; S85-H89 PolarHBondContact O-N 3.05Å; V86-H89 PolarHBondContact O-N 2.88Å; L87-H89 VanDerWaalsContact C-N 3.28Å; L87-H89 PolarHBondContact O-N 3.37Å; H89-K92 PolarHBondContact O-N 2.87Å; H89-Q93 PolarHBondContact NE2-NE2 3.37Å; H89-Q93 WeakPolarHBondContact O-CG 3.46Å; H89-Q93 PolarHBondContact O-N 3.23Å |
| 90 | W | 97.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 68.9 Ų | 68.9 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.3 | -57.5 | -22 | 0 | 0 | 0 | 112.5 | Y53 F57 K58 C61 V62 I81 V86 L87 K92 Q93 Y94 L100 | Y53-W90 AromaticContact CD1-CH2 3.91Å; Y53-W90 HydrophobicContact CD1-CH2 3.91Å; Y53-W90 AromaticContact CD2-CH2 3.53Å; Y53-W90 HydrophobicContact CD2-CH2 3.53Å; Y53-W90 AromaticContact CD2-CZ2 3.41Å; Y53-W90 HydrophobicContact CD2-CZ2 3.41Å; Y53-W90 VanDerWaalsContact CD2-CZ2 3.41Å; Y53-W90 HydrophobicContact CE1-CH2 4.27Å; Y53-W90 AromaticContact CE2-CH2 3.93Å; Y53-W90 HydrophobicContact CE2-CH2 3.93Å; Y53-W90 HydrophobicContact CE2-CZ2 4Å; Y53-W90 AromaticContact CG-CH2 3.49Å; Y53-W90 HydrophobicContact CG-CH2 3.49Å; Y53-W90 VanDerWaalsContact CG-CH2 3.49Å; Y53-W90 AromaticContact CG-CZ2 3.72Å; Y53-W90 HydrophobicContact CG-CZ2 3.72Å; F57-W90 HydrophobicContact CE1-CH2 4.37Å; F57-W90 HydrophobicContact CE1-CZ3 4.4Å; K58-W90 HydrophobicContact CB-CD2 4.11Å; K58-W90 HydrophobicContact CB-CE3 4.17Å; K58-W90 HydrophobicContact CB-CG 4.46Å; K58-W90 HydrophobicContact CD-CD2 4.42Å; K58-W90 HydrophobicContact CD-CZ2 4.3Å; K58-W90 HydrophobicContact CG-CD2 3.85Å; K58-W90 HydrophobicContact CG-CE3 4.1Å; K58-W90 HydrophobicContact CG-CG 4.43Å; K58-W90 HydrophobicContact CG-CH2 4.02Å; K58-W90 HydrophobicContact CG-CZ2 3.74Å; K58-W90 HydrophobicContact CG-CZ3 4.18Å; C61-W90 HydrophobicContact CB-CE3 4.39Å; C61-W90 HydrophobicContact CB-CZ3 4.27Å; V62-W90 HydrophobicContact CG2-CB 3.61Å; I81-W90 HydrophobicContact CD1-CZ3 3.89Å; I81-W90 HydrophobicContact CG1-CZ3 4.28Å; I81-W90 HydrophobicContact CG2-CH2 4.25Å; I81-W90 HydrophobicContact CG2-CZ3 4.34Å; V86-W90 HydrophobicContact CG1-CD2 4.11Å; V86-W90 HydrophobicContact CG1-CE3 4.5Å; V86-W90 HydrophobicContact CG1-CH2 3.6Å; V86-W90 HydrophobicContact CG1-CZ2 3.09Å; V86-W90 HydrophobicContact CG1-CZ3 4.28Å; V86-W90 PolarHBondContact O-N 3.22Å; V86-W90 VanDerWaalsContact O-N 3.08Å; L87-W90 HydrophobicContact CD1-CE3 3.97Å; L87-W90 PolarHBondContact O-N 3.43Å; L87-W90 VanDerWaalsContact O-N 3.16Å; W90-K92 VanDerWaalsContact C-N 3.29Å; W90-K92 PolarHBondContact O-N 2.95Å; W90-Q93 PolarHBondContact O-N 3.32Å; W90-Y94 WeakPolarHBondContact O-CB 3.44Å; W90-Y94 PolarHBondContact O-N 2.76Å; W90-L100 HydrophobicContact CB-CD1 4.49Å; W90-L100 HydrophobicContact CB-CD2 3.98Å; W90-L100 HydrophobicContact CG-CD2 4.34Å |
| 91 | I | 97.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.2 | -66.3 | 166.5 | 0 | 0 | 0 | 110 | V62 A65 L87 R88 Y94 N95 | V62-I91 HydrophobicContact CB-CG1 4.48Å; V62-I91 HydrophobicContact CG1-CG1 4.21Å; V62-I91 HydrophobicContact CG2-CG1 4.05Å; A65-I91 HydrophobicContact CB-CD1 3.77Å; A65-I91 HydrophobicContact CB-CG1 4.39Å; L87-I91 HydrophobicContact CD1-CD1 4.25Å; L87-I91 HydrophobicContact CD1-CG1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4Å; L87-I91 HydrophobicContact CG-CG1 4.5Å; L87-I91 WeakPolarHBondContact O-CG1 3.45Å; L87-I91 PolarHBondContact O-N 3.37Å; R88-I91 PolarHBondContact O-N 3.14Å; I91-Y94 PolarHBondContact O-N 3.24Å; I91-N95 WeakPolarHBondContact O-CB 2.96Å; I91-N95 PolarHBondContact O-N 3.07Å; I91-N95 PolarHBondContact O-ND2 3.48Å; I91-N95 PolarHBondContact O-OD1 2.94Å |
| 92 | K | 97.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.2 | -51.9 | 176.4 | -176.6 | -175.3 | 175.5 | -175.9 | 0 | 111.7 | R88 H89 W90 Y94 N95 D96 | R88-K92 WeakPolarHBondContact O-CB 3.32Å; R88-K92 PolarHBondContact O-N 2.91Å; H89-K92 PolarHBondContact O-N 2.87Å; W90-K92 VanDerWaalsContact C-N 3.29Å; W90-K92 PolarHBondContact O-N 2.95Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 3.42Å; K92-N95 PolarHBondContact O-N 3.18Å; K92-D96 VanDerWaalsContact CE-OD2 3.26Å; K92-D96 WeakPolarHBondContact CE-OD2 3.41Å; K92-D96 WeakPolarHBondContact CG-OD2 3.4Å; K92-D96 WeakPolarHBondContact O-CB 3.44Å; K92-D96 PolarHBondContact O-N 3.2Å |
| 93 | Q | 97 | Very high | 94.5 | Very high | 48 Ų | 48 | 81.7 Ų | 81.7 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 178.6 | -77.1 | -175.2 | -29.5 | 0 | 0 | 111.5 | H89 W90 N95 D96 H97 I98 L100 | H89-Q93 PolarHBondContact NE2-NE2 3.37Å; H89-Q93 WeakPolarHBondContact O-CG 3.46Å; H89-Q93 PolarHBondContact O-N 3.23Å; W90-Q93 PolarHBondContact O-N 3.32Å; Q93-N95 PolarHBondContact O-N 2.97Å; Q93-D96 CarbonylContact O-C 3.46Å; Q93-D96 PolarHBondContact O-N 3.25Å; Q93-H97 PolarHBondContact O-N 3.1Å; Q93-I98 CarbonylContact C-O 3.57Å; Q93-I98 HydrophobicContact CB-CB 4.12Å; Q93-I98 HydrophobicContact CB-CG2 4.44Å; Q93-I98 HydrophobicContact CG-CB 4.44Å; Q93-I98 HydrophobicContact CG-CG2 4.39Å; Q93-I98 WeakPolarHBondContact O-CA 3.3Å; Q93-I98 WeakPolarHBondContact O-CB 3.5Å; Q93-I98 PolarHBondContact O-N 3.1Å; Q93-L100 HydrophobicContact CB-CD2 3.79Å |
| 94 | Y | 96.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 83.5 Ų | 83.5 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176.9 | -173.7 | -88 | 0 | 0 | 0 | 112.3 | V62 L66 W90 I91 K92 H97 L100 | V62-Y94 HydrophobicContact CG1-CD1 3.9Å; V62-Y94 HydrophobicContact CG1-CD2 4.07Å; V62-Y94 HydrophobicContact CG1-CG 3.65Å; L66-Y94 HydrophobicContact CD1-CD1 3.87Å; L66-Y94 HydrophobicContact CD1-CE1 3.64Å; W90-Y94 WeakPolarHBondContact O-CB 3.44Å; W90-Y94 PolarHBondContact O-N 2.76Å; I91-Y94 PolarHBondContact O-N 3.24Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 3.42Å; Y94-H97 PolarHBondContact O-N 3.03Å; Y94-H97 VanDerWaalsContact O-N 3.13Å; Y94-L100 HydrophobicContact CD2-CD1 4.36Å |
| 95 | N | 95.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 82.2 Ų | 82.2 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.6 | -33.6 | 178.1 | -68.8 | -9.8 | 0 | 0 | 0 | 112.8 | I91 K92 Q93 H97 | I91-N95 WeakPolarHBondContact O-CB 2.96Å; I91-N95 PolarHBondContact O-N 3.07Å; I91-N95 PolarHBondContact O-ND2 3.48Å; I91-N95 PolarHBondContact O-OD1 2.94Å; K92-N95 PolarHBondContact O-N 3.18Å; Q93-N95 PolarHBondContact O-N 2.97Å; N95-H97 PolarHBondContact O-N 3.47Å |
| 96 | D | 96.8 | Very high | 93.3 | Very high | 88 Ų | 88 | 80.4 Ų | 80.4 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 8.7 | 174 | -66.4 | -19.9 | 0 | 0 | 0 | 111.9 | K92 Q93 I98 | K92-D96 VanDerWaalsContact CE-OD2 3.26Å; K92-D96 WeakPolarHBondContact CE-OD2 3.41Å; K92-D96 WeakPolarHBondContact CG-OD2 3.4Å; K92-D96 WeakPolarHBondContact O-CB 3.44Å; K92-D96 PolarHBondContact O-N 3.2Å; Q93-D96 CarbonylContact O-C 3.46Å; Q93-D96 PolarHBondContact O-N 3.25Å; D96-I98 HydrophobicContact CB-CD1 3.83Å; D96-I98 HydrophobicContact CB-CG1 3.93Å; D96-I98 PolarHBondContact O-N 3.06Å; D96-I98 VanDerWaalsContact O-N 3.16Å |
| 97 | H | 93.9 | Very high | 92.8 | Very high | 182 Ų | 182 | 86.1 Ų | 86.1 | 84% | 0.843 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.1 | -175 | -57.8 | -67.6 | 0 | 0 | 0 | 114 | Q93 Y94 N95 | Q93-H97 PolarHBondContact O-N 3.1Å; Y94-H97 PolarHBondContact O-N 3.03Å; Y94-H97 VanDerWaalsContact O-N 3.13Å; N95-H97 PolarHBondContact O-N 3.47Å |
| 98 | I | 94.6 | Very high | 92.4 | Very high | 85 Ų | 85 | 91.2 Ų | 91.2 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | trans | -88.9 | 125 | 175.2 | -58 | 173 | 0 | 0 | 0 | 108.5 | Q93 D96 L100 | Q93-I98 CarbonylContact C-O 3.57Å; Q93-I98 HydrophobicContact CB-CB 4.12Å; Q93-I98 HydrophobicContact CB-CG2 4.44Å; Q93-I98 HydrophobicContact CG-CB 4.44Å; Q93-I98 HydrophobicContact CG-CG2 4.39Å; Q93-I98 WeakPolarHBondContact O-CA 3.3Å; Q93-I98 WeakPolarHBondContact O-CB 3.5Å; Q93-I98 PolarHBondContact O-N 3.1Å; D96-I98 HydrophobicContact CB-CD1 3.83Å; D96-I98 HydrophobicContact CB-CG1 3.93Å; D96-I98 PolarHBondContact O-N 3.06Å; D96-I98 VanDerWaalsContact O-N 3.16Å; I98-L100 PolarHBondContact O-N 3.17Å | ||
| 99 | E | 91.4 | Very high | 92.2 | Very high | 131 Ų | 131 | 85.3 Ų | 85.3 | 61% | 0.612 | 40% | 0.395 | S | S | * | . | trans | -59.8 | 128.3 | 178.7 | -172.3 | -172.1 | -166.1 | 0 | 0 | 112.2 | K101 | E99-K101 HydrophobicContact CG-CG 4.28Å; E99-K101 PolarHBondContact O-N 3.47Å; E99-K101 VanDerWaalsContact OE2-CE 3.25Å; E99-K101 WeakPolarHBondContact OE2-CE 3.5Å | ||
| 100 | L | 93.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 86.7 Ų | 86.7 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | trans | -78.5 | 96.8 | 173.1 | -63.7 | 173.3 | 0 | 0 | 0 | 109.8 | K55 K58 V62 W90 Q93 Y94 I98 | K55-L100 WeakPolarHBondContact CB-O 3.3Å; K58-L100 HydrophobicContact CB-CB 4.31Å; K58-L100 HydrophobicContact CB-CD1 4.01Å; K58-L100 HydrophobicContact CD-CB 4.36Å; V62-L100 HydrophobicContact CG2-CD1 4.12Å; W90-L100 HydrophobicContact CB-CD1 4.49Å; W90-L100 HydrophobicContact CB-CD2 3.98Å; W90-L100 HydrophobicContact CG-CD2 4.34Å; Q93-L100 HydrophobicContact CB-CD2 3.79Å; Y94-L100 HydrophobicContact CD2-CD1 4.36Å; I98-L100 PolarHBondContact O-N 3.17Å | ||
| 101 | K | 91.1 | Very high | 91.6 | Very high | 138 Ų | 138 | 91.2 Ų | 91.2 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | trans | -83.1 | 156.7 | -176.1 | -61.9 | -178.6 | -179.2 | -175.4 | 0 | 113.2 | K58 E99 | K58-K101 PolarHBondContact NZ-O 2.97Å; E99-K101 HydrophobicContact CG-CG 4.28Å; E99-K101 PolarHBondContact O-N 3.47Å; E99-K101 VanDerWaalsContact OE2-CE 3.25Å; E99-K101 WeakPolarHBondContact OE2-CE 3.5Å | ||
| 102 | D | 90.8 | Very high | 90.9 | Very high | 80 Ų | 80 | 94.2 Ų | 94.2 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | trans | -62 | 155 | 165 | -70.1 | -52.1 | 0 | 0 | 0 | 111.3 | S54 K55 D104 | S54-D102 VanDerWaalsContact C-OD1 3.32Å; S54-D102 WeakPolarHBondContact CA-OD1 3.47Å; S54-D102 WeakPolarHBondContact CB-OD1 3.06Å; K55-D102 WeakPolarHBondContact CD-OD2 3.37Å; K55-D102 PolarHBondContact N-OD1 2.86Å; D102-D104 PolarHBondContact O-N 3.37Å; D102-D104 VanDerWaalsContact O-N 3.12Å | ||
| 103 | Y | 86 | Confident | 90.4 | Very high | 138 Ų | 138 | 91.9 Ų | 91.9 | 54% | 0.541 | 46% | 0.461 | S | S | . | . | trans | -78 | 96.6 | 173.2 | -179.8 | -106.3 | 0 | 0 | 0 | 110 | P105 | Y103-P105 HydrophobicContact CD1-CG 4.3Å; Y103-P105 HydrophobicContact CE1-CB 4.22Å; Y103-P105 HydrophobicContact CE1-CG 3.61Å; Y103-P105 HydrophobicContact CE2-CB 4.37Å | ||
| 104 | D | 84.6 | Confident | 90 | Very high | 85 Ų | 85 | 90.4 Ų | 90.4 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | trans | -120.3 | 90.3 | 173 | -178 | 13.6 | 0 | 0 | 0 | 111 | D102 K106 K138 | D102-D104 PolarHBondContact O-N 3.37Å; D102-D104 VanDerWaalsContact O-N 3.12Å; D104-K106 VanDerWaalsContact C-N 3.27Å; D104-K106 PolarHBondContact O-N 2.74Å; D104-K106 VanDerWaalsContact OD1-CG 3.26Å; D104-K106 WeakPolarHBondContact OD1-CG 3.33Å; D104-K106 PolarHBondContact OD1-N 3.3Å; D104-K106 WeakPolarHBondContact OD2-CE 3.47Å; D104-K106 WeakPolarHBondContact OD2-CG 3.34Å; D104-K138 PolarHBondContact O-NZ 3Å | ||
| 105 | P | 82.8 | Confident | 89.7 | Confident | 36 Ų | 36 | 92 Ų | 92 | 23% | 0.234 | 46% | 0.462 | C | S | . | . | trans | -73 | -17.1 | -179.2 | 29.6 | -35.3 | 0 | 0 | 0 | 113.4 | Y103 R107 | Y103-P105 HydrophobicContact CD1-CG 4.3Å; Y103-P105 HydrophobicContact CE1-CB 4.22Å; Y103-P105 HydrophobicContact CE1-CG 3.61Å; Y103-P105 HydrophobicContact CE2-CB 4.37Å; P105-R107 HydrophobicContact CB-CG 4.08Å; P105-R107 HydrophobicContact CG-CG 3.88Å; P105-R107 PolarHBondContact O-N 3.41Å | ||
| 106 | K | 85.9 | Confident | 89.3 | Confident | 42 Ų | 42 | 92 Ų | 92 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | trans | 47.5 | 57.2 | -173.4 | -59 | -170.5 | 177.1 | 179 | 0 | 112.3 | D104 E108 V109 K138 D139 A142 | D104-K106 VanDerWaalsContact C-N 3.27Å; D104-K106 PolarHBondContact O-N 2.74Å; D104-K106 VanDerWaalsContact OD1-CG 3.26Å; D104-K106 WeakPolarHBondContact OD1-CG 3.33Å; D104-K106 PolarHBondContact OD1-N 3.3Å; D104-K106 WeakPolarHBondContact OD2-CE 3.47Å; D104-K106 WeakPolarHBondContact OD2-CG 3.34Å; K106-E108 VanDerWaalsContact C-CD 3.43Å; K106-E108 VanDerWaalsContact CA-OE1 3.24Å; K106-E108 WeakPolarHBondContact CA-OE1 3.36Å; K106-E108 WeakPolarHBondContact CA-OE2 3.48Å; K106-E108 VanDerWaalsContact CB-OE1 3.25Å; K106-E108 WeakPolarHBondContact CB-OE1 3.37Å; K106-E108 PolarHBondContact O-N 2.93Å; K106-V109 HydrophobicContact CB-CG2 4.37Å; K106-V109 WeakPolarHBondContact O-CG2 3.04Å; K106-V109 PolarHBondContact O-N 3.18Å; K106-K138 HydrophobicContact CB-CD 4.12Å; K106-K138 HydrophobicContact CB-CG 4.12Å; K106-K138 HydrophobicContact CD-CG 4.33Å; K106-K138 HydrophobicContact CG-CD 4.46Å; K106-D139 WeakPolarHBondContact CE-OD1 3.43Å; K106-D139 IonicContact NZ-OD1 2.59Å; K106-D139 PolarHBondContact NZ-OD1 3.2Å; K106-A142 HydrophobicContact CD-CB 3.83Å | ||
| 107 | R | 86.5 | Confident | 88.9 | Confident | 161 Ų | 161 | 97.4 Ų | 97.4 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -60.8 | -32.7 | -168.8 | -69.6 | -172.5 | -179 | -161.4 | 2.2 | 112.8 | P105 V109 Y110 M111 | P105-R107 HydrophobicContact CB-CG 4.08Å; P105-R107 HydrophobicContact CG-CG 3.88Å; P105-R107 PolarHBondContact O-N 3.41Å; R107-V109 PolarHBondContact O-N 3.4Å; R107-Y110 PolarHBondContact O-N 2.99Å; R107-M111 HydrophobicContact CB-CE 4.16Å |
| 108 | E | 88.7 | Confident | 88.7 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -52 | -39 | 179.1 | 64 | -69.9 | 163.7 | 0 | 0 | 112.3 | K106 Y110 M111 A114 | K106-E108 VanDerWaalsContact C-CD 3.43Å; K106-E108 VanDerWaalsContact CA-OE1 3.24Å; K106-E108 WeakPolarHBondContact CA-OE1 3.36Å; K106-E108 WeakPolarHBondContact CA-OE2 3.48Å; K106-E108 VanDerWaalsContact CB-OE1 3.25Å; K106-E108 WeakPolarHBondContact CB-OE1 3.37Å; K106-E108 PolarHBondContact O-N 2.93Å; E108-Y110 PolarHBondContact O-N 3.46Å; E108-Y110 VanDerWaalsContact O-N 3.1Å; E108-M111 WeakPolarHBondContact O-CB 3.38Å; E108-M111 PolarHBondContact O-N 3.38Å; E108-A114 VanDerWaalsContact O-CB 3.25Å; E108-A114 WeakPolarHBondContact O-CB 3.38Å |
| 109 | V | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.03 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -66.9 | -17.2 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | K106 R107 K138 A141 A142 S147 Y148 | K106-V109 HydrophobicContact CB-CG2 4.37Å; K106-V109 WeakPolarHBondContact O-CG2 3.04Å; K106-V109 PolarHBondContact O-N 3.18Å; R107-V109 PolarHBondContact O-N 3.4Å; V109-K138 HydrophobicContact CG2-CG 4.02Å; V109-A141 HydrophobicContact CB-CB 3.93Å; V109-A141 HydrophobicContact CG1-CB 3.87Å; V109-A142 HydrophobicContact CG1-CB 3.88Å; V109-S147 CarbonylContact O-C 3.52Å; V109-S147 WeakPolarHBondContact O-CA 3.44Å; V109-Y148 PolarHBondContact O-N 3.46Å |
| 110 | Y | 90.7 | Very high | 88.6 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 49% | 0.494 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -94.4 | -8.5 | 177.2 | -59.9 | -77.2 | 0 | 0 | 0 | 113 | R107 E108 Y148 | R107-Y110 PolarHBondContact O-N 2.99Å; E108-Y110 PolarHBondContact O-N 3.46Å; E108-Y110 VanDerWaalsContact O-N 3.1Å; Y110-Y148 HydrophobicContact CD1-CD1 4.38Å; Y110-Y148 HydrophobicContact CD1-CG 4.13Å; Y110-Y148 AromaticContact CE1-CD1 3.96Å; Y110-Y148 HydrophobicContact CE1-CD1 3.96Å; Y110-Y148 AromaticContact CE1-CD2 3.84Å; Y110-Y148 HydrophobicContact CE1-CD2 3.84Å; Y110-Y148 HydrophobicContact CE1-CE2 4.36Å; Y110-Y148 AromaticContact CE1-CG 3.61Å; Y110-Y148 HydrophobicContact CE1-CG 3.61Å |
| 111 | M | 91.1 | Very high | 88.6 | Confident | 108 Ų | 108 | 87.9 Ų | 87.9 | 53% | 0.532 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -75.3 | 148.7 | -177.1 | -60.6 | -59.3 | 178 | 0 | 0 | 111.2 | R107 E108 G113 A114 | R107-M111 HydrophobicContact CB-CE 4.16Å; E108-M111 WeakPolarHBondContact O-CB 3.38Å; E108-M111 PolarHBondContact O-N 3.38Å; M111-G113 PolarHBondContact O-N 3.05Å; M111-A114 WeakPolarHBondContact O-CB 3.39Å; M111-A114 PolarHBondContact O-N 3.47Å |
| 112 | A | 83.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 84.6 Ų | 84.6 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -58 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A114 R115 | A112-A114 PolarHBondContact O-N 3.48Å; A112-R115 PolarHBondContact O-N 3.02Å |
| 113 | G | 86.7 | Confident | 89 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 80% | 0.804 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -66.6 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M111 R115 | M111-G113 PolarHBondContact O-N 3.05Å; G113-R115 PolarHBondContact O-N 3.28Å |
| 114 | A | 88.5 | Confident | 89.4 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -76 | -7.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E108 M111 A112 R116 V146 S147 | E108-A114 VanDerWaalsContact O-CB 3.25Å; E108-A114 WeakPolarHBondContact O-CB 3.38Å; M111-A114 WeakPolarHBondContact O-CB 3.39Å; M111-A114 PolarHBondContact O-N 3.47Å; A112-A114 PolarHBondContact O-N 3.48Å; A114-R116 PolarHBondContact O-N 3.06Å; A114-V146 CarbonylContact O-C 3.41Å; A114-S147 PolarHBondContact O-N 3.04Å |
| 115 | R | 89.3 | Confident | 90 | Very high | 131 Ų | 131 | 79.5 Ų | 79.5 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | trans | -74 | 113.3 | 179.1 | -64.2 | -172.6 | 90.2 | 100.2 | 2.1 | 110.4 | A112 G113 Q150 | A112-R115 PolarHBondContact O-N 3.02Å; G113-R115 PolarHBondContact O-N 3.28Å; R115-Q150 VanDerWaalsContact CA-OE1 3.31Å | ||
| 116 | R | 88.1 | Confident | 90.6 | Very high | 88 Ų | 88 | 77.8 Ų | 77.8 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | trans | -104.9 | 148.8 | 179.7 | -157.7 | -175.1 | 78.7 | -154.7 | 5.4 | 112.5 | A114 T118 E122 Y144 D145 V146 Q150 | A114-R116 PolarHBondContact O-N 3.06Å; R116-T118 HydrophobicContact CB-CG2 4.46Å; R116-E122 IonicContact CZ-OE2 3.83Å; R116-E122 IonicContact NH2-OE2 3.84Å; R116-E122 PolarHBondContact NH2-OE2 3.35Å; R116-Y144 PolarHBondContact NH1-O 3.47Å; R116-D145 PolarHBondContact NH1-O 3.11Å; R116-V146 HydrophobicContact CB-CG1 4.31Å; R116-Q150 PolarHBondContact O-NE2 3.43Å | ||
| 117 | K | 87.9 | Confident | 91.2 | Very high | 201 Ų | 201 | 75.8 Ų | 75.8 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | trans | -72.7 | 131.3 | 161.8 | -68.9 | -177.5 | -179.5 | 178.1 | 0 | 108.8 | ||||
| 118 | T | 89.3 | Confident | 91.6 | Very high | 14 Ų | 14 | 72.5 Ų | 72.5 | 9% | 0.086 | 38% | 0.378 | C | S | . | . | trans | -133.1 | 147.6 | -178.9 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | R116 E122 R123 V146 W154 | R116-T118 HydrophobicContact CB-CG2 4.46Å; T118-E122 WeakPolarHBondContact CA-OE2 3.46Å; T118-E122 WeakPolarHBondContact CB-OE2 3.35Å; T118-R123 PolarHBondContact O-NE 3.21Å; T118-R123 PolarHBondContact O-NH2 2.86Å; T118-R123 VanDerWaalsContact OG1-CG 3.26Å; T118-R123 WeakPolarHBondContact OG1-CG 3.44Å; T118-R123 PolarHBondContact OG1-NE 3.38Å; T118-V146 HydrophobicContact CG2-CG1 3.98Å; T118-W154 HydrophobicContact CG2-CH2 3.7Å; T118-W154 HydrophobicContact CG2-CZ2 4.29Å; T118-W154 WeakPolarHBondContact OG1-CH2 3.39Å; T118-W154 WeakPolarHBondContact OG1-CZ2 3.37Å | ||
| 119 | S | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 69.2 Ų | 69.2 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | trans | -73.8 | 165.2 | 172.2 | 67 | 0 | 0 | 0 | 0 | 111.1 | S121 E122 R123 | S119-S121 PolarHBondContact OG-OG 3.31Å; S119-E122 PolarHBondContact N-OE2 3.49Å; S119-E122 WeakPolarHBondContact OG-CB 3.41Å; S119-E122 WeakPolarHBondContact OG-CG 2.98Å; S119-E122 PolarHBondContact OG-N 3.39Å; S119-R123 VanDerWaalsContact O-CG 3.29Å; S119-R123 WeakPolarHBondContact O-CG 3.25Å; S119-R123 PolarHBondContact O-N 3.43Å; S119-R123 VanDerWaalsContact O-N 3.13Å | ||
| 120 | L | 91.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.7 | -178.9 | 62.3 | 0 | 0 | 0 | 111.7 | R123 K124 L166 I167 | L120-R123 PolarHBondContact O-N 2.78Å; L120-K124 PolarHBondContact O-N 3.39Å; L120-L166 HydrophobicContact CD1-CB 3.56Å; L120-I167 HydrophobicContact CD1-CG1 4.09Å; L120-I167 HydrophobicContact CD2-CG1 4.04Å |
| 121 | S | 93.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 66.3 Ų | 66.3 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62 | -45 | 177.8 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | S119 R123 K124 E125 | S119-S121 PolarHBondContact OG-OG 3.31Å; S121-R123 VanDerWaalsContact C-N 3.33Å; S121-R123 PolarHBondContact O-N 2.82Å; S121-K124 WeakPolarHBondContact O-CB 3.48Å; S121-K124 PolarHBondContact O-N 3.43Å; S121-E125 PolarHBondContact O-N 3.19Å |
| 122 | E | 95 | Very high | 92.7 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 33% | 0.327 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 174.7 | -78.2 | 170.7 | -154.5 | 0 | 0 | 111.8 | R116 T118 S119 K124 E125 I126 | R116-E122 IonicContact CZ-OE2 3.83Å; R116-E122 IonicContact NH2-OE2 3.84Å; R116-E122 PolarHBondContact NH2-OE2 3.35Å; T118-E122 WeakPolarHBondContact CA-OE2 3.46Å; T118-E122 WeakPolarHBondContact CB-OE2 3.35Å; S119-E122 PolarHBondContact N-OE2 3.49Å; S119-E122 WeakPolarHBondContact OG-CB 3.41Å; S119-E122 WeakPolarHBondContact OG-CG 2.98Å; S119-E122 PolarHBondContact OG-N 3.39Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 2.93Å; E122-E125 PolarHBondContact O-N 3.25Å; E122-I126 WeakPolarHBondContact O-CB 3.31Å; E122-I126 WeakPolarHBondContact O-CD1 3.17Å; E122-I126 WeakPolarHBondContact O-CG1 3.48Å; E122-I126 PolarHBondContact O-N 3.48Å |
| 123 | R | 95.5 | Very high | 93.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 178.9 | -68.2 | 171.6 | -164 | 174.2 | 8.2 | 111.5 | T118 S119 L120 S121 I126 V127 W154 L166 | T118-R123 PolarHBondContact O-NE 3.21Å; T118-R123 PolarHBondContact O-NH2 2.86Å; T118-R123 VanDerWaalsContact OG1-CG 3.26Å; T118-R123 WeakPolarHBondContact OG1-CG 3.44Å; T118-R123 PolarHBondContact OG1-NE 3.38Å; S119-R123 VanDerWaalsContact O-CG 3.29Å; S119-R123 WeakPolarHBondContact O-CG 3.25Å; S119-R123 PolarHBondContact O-N 3.43Å; S119-R123 VanDerWaalsContact O-N 3.13Å; L120-R123 PolarHBondContact O-N 2.78Å; S121-R123 VanDerWaalsContact C-N 3.33Å; S121-R123 PolarHBondContact O-N 2.82Å; R123-I126 PolarHBondContact O-N 2.89Å; R123-V127 WeakPolarHBondContact O-CB 3.24Å; R123-V127 VanDerWaalsContact O-CG2 3.24Å; R123-V127 WeakPolarHBondContact O-CG2 3.46Å; R123-V127 PolarHBondContact O-N 2.93Å; R123-W154 HydrophobicContact CB-CD2 4.33Å; R123-W154 HydrophobicContact CG-CD2 3.93Å; R123-W154 HydrophobicContact CG-CE3 4.31Å; R123-W154 HydrophobicContact CG-CG 4.45Å; R123-W154 HydrophobicContact CG-CH2 4.18Å; R123-W154 HydrophobicContact CG-CZ2 3.76Å; R123-W154 HydrophobicContact CG-CZ3 4.43Å; R123-L166 HydrophobicContact CB-CB 4.46Å; R123-L166 HydrophobicContact CB-CD1 4.17Å; R123-L166 PolarHBondContact NH1-O 3.04Å |
| 124 | K | 94.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 177.5 | -178.8 | 174.1 | 178.9 | 172.3 | 0 | 110.8 | L120 S121 E122 I126 V127 E128 E163 L166 | L120-K124 PolarHBondContact O-N 3.39Å; S121-K124 WeakPolarHBondContact O-CB 3.48Å; S121-K124 PolarHBondContact O-N 3.43Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 2.93Å; K124-I126 VanDerWaalsContact C-N 3.34Å; K124-I126 PolarHBondContact O-N 2.84Å; K124-V127 PolarHBondContact O-N 3.19Å; K124-E128 WeakPolarHBondContact CE-OE1 3.25Å; K124-E128 HydrophobicContact CG-CG 4.42Å; K124-E128 WeakPolarHBondContact CG-OE1 3.21Å; K124-E128 WeakPolarHBondContact O-CB 3.44Å; K124-E128 WeakPolarHBondContact O-CG 3.09Å; K124-E128 PolarHBondContact O-N 2.96Å; K124-E163 HydrophobicContact CD-CG 4.38Å; K124-E163 WeakPolarHBondContact CD-OE1 3.5Å; K124-E163 VanDerWaalsContact NZ-CD 3.34Å; K124-E163 IonicContact NZ-OE1 3.64Å; K124-E163 PolarHBondContact NZ-OE1 3.34Å; K124-E163 IonicContact NZ-OE2 2.72Å; K124-E163 PolarHBondContact NZ-OE2 2.91Å; K124-L166 HydrophobicContact CB-CD1 4.23Å |
| 125 | E | 96.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 70 Ų | 70 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 176.5 | -168.1 | -163.7 | 144.4 | 0 | 0 | 111.7 | S121 E122 V127 E128 Y129 Y144 | S121-E125 PolarHBondContact O-N 3.19Å; E122-E125 PolarHBondContact O-N 3.25Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.4Å; E125-E128 PolarHBondContact O-N 2.95Å; E125-Y129 VanDerWaalsContact O-CB 3.28Å; E125-Y129 WeakPolarHBondContact O-CB 3.39Å; E125-Y129 PolarHBondContact O-N 3.17Å; E125-Y144 HydrophobicContact CG-CE1 4.48Å; E125-Y144 VanDerWaalsContact OE1-CE1 3.31Å; E125-Y144 WeakPolarHBondContact OE1-CE1 3.24Å; E125-Y144 PolarHBondContact OE1-OH 3.06Å |
| 126 | I | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 178.4 | -69.2 | 168.5 | 0 | 0 | 0 | 111.4 | E122 R123 K124 C130 T140 Y144 V146 V151 W154 | E122-I126 WeakPolarHBondContact O-CB 3.31Å; E122-I126 WeakPolarHBondContact O-CD1 3.17Å; E122-I126 WeakPolarHBondContact O-CG1 3.48Å; E122-I126 PolarHBondContact O-N 3.48Å; R123-I126 PolarHBondContact O-N 2.89Å; K124-I126 VanDerWaalsContact C-N 3.34Å; K124-I126 PolarHBondContact O-N 2.84Å; I126-C130 WeakPolarHBondContact O-CB 3.49Å; I126-C130 PolarHBondContact O-N 3.25Å; I126-T140 HydrophobicContact CG2-CG2 3.71Å; I126-Y144 HydrophobicContact CD1-CD1 4.16Å; I126-Y144 HydrophobicContact CD1-CG 4.09Å; I126-Y144 HydrophobicContact CG1-CD1 3.54Å; I126-Y144 HydrophobicContact CG1-CD2 3.91Å; I126-Y144 HydrophobicContact CG1-CE1 3.97Å; I126-Y144 HydrophobicContact CG1-CE2 4.31Å; I126-Y144 HydrophobicContact CG1-CG 3.5Å; I126-Y144 HydrophobicContact CG2-CD2 4.48Å; I126-V146 HydrophobicContact CD1-CG1 4.13Å; I126-V146 HydrophobicContact CD1-CG2 4.43Å; I126-V151 HydrophobicContact CG2-CG1 4.2Å; I126-V151 HydrophobicContact CG2-CG2 4.12Å; I126-W154 HydrophobicContact CD1-CE3 4.44Å; I126-W154 HydrophobicContact CD1-CH2 4.42Å; I126-W154 HydrophobicContact CD1-CZ3 3.7Å; I126-W154 HydrophobicContact CG2-CE3 4.02Å; I126-W154 HydrophobicContact CG2-CZ3 4.12Å |
| 127 | V | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 179.6 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | R123 K124 E125 Y129 C130 L131 W154 V155 Y158 L166 | R123-V127 WeakPolarHBondContact O-CB 3.24Å; R123-V127 VanDerWaalsContact O-CG2 3.24Å; R123-V127 WeakPolarHBondContact O-CG2 3.46Å; R123-V127 PolarHBondContact O-N 2.93Å; K124-V127 PolarHBondContact O-N 3.19Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.4Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.97Å; V127-C130 WeakPolarHBondContact O-CB 3.31Å; V127-C130 PolarHBondContact O-N 3.36Å; V127-C130 VanDerWaalsContact O-N 3.15Å; V127-L131 HydrophobicContact CG1-CD1 3.92Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 2.91Å; V127-W154 HydrophobicContact CG2-CB 3.54Å; V127-V155 HydrophobicContact CB-CG2 4.41Å; V127-V155 HydrophobicContact CG1-CG2 4.19Å; V127-V155 HydrophobicContact CG2-CG2 4.05Å; V127-Y158 HydrophobicContact CG1-CD1 3.64Å; V127-Y158 HydrophobicContact CG1-CD2 4.11Å; V127-Y158 HydrophobicContact CG1-CE1 4.22Å; V127-Y158 HydrophobicContact CG1-CG 3.57Å; V127-L166 HydrophobicContact CG2-CD1 4.29Å; V127-L166 HydrophobicContact CG2-CD2 4.17Å |
| 128 | E | 96.2 | Very high | 94.1 | Very high | 91 Ų | 91 | 58 Ų | 58 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 177.6 | -74.2 | 173.9 | -177.3 | 0 | 0 | 110.7 | K124 E125 C130 L131 S132 | K124-E128 WeakPolarHBondContact CE-OE1 3.25Å; K124-E128 HydrophobicContact CG-CG 4.42Å; K124-E128 WeakPolarHBondContact CG-OE1 3.21Å; K124-E128 WeakPolarHBondContact O-CB 3.44Å; K124-E128 WeakPolarHBondContact O-CG 3.09Å; K124-E128 PolarHBondContact O-N 2.96Å; E125-E128 PolarHBondContact O-N 2.95Å; E128-C130 PolarHBondContact O-N 3.04Å; E128-L131 PolarHBondContact O-N 3.45Å; E128-S132 PolarHBondContact O-N 3.32Å; E128-S132 PolarHBondContact O-OG 3.15Å |
| 129 | Y | 97.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 173.2 | 178.9 | -87.8 | 0 | 0 | 0 | 112.1 | E125 V127 L131 S132 H133 T140 R143 Y144 | E125-Y129 VanDerWaalsContact O-CB 3.28Å; E125-Y129 WeakPolarHBondContact O-CB 3.39Å; E125-Y129 PolarHBondContact O-N 3.17Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.97Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.15Å; Y129-S132 PolarHBondContact O-N 2.66Å; Y129-S132 PolarHBondContact O-OG 3.2Å; Y129-S132 VanDerWaalsContact O-OG 3.11Å; Y129-H133 AromaticContact CD2-CE1 3.32Å; Y129-H133 WeakPolarHBondContact CD2-CE1 3.21Å; Y129-H133 AromaticContact CD2-ND1 3.49Å; Y129-H133 WeakPolarHBondContact CD2-ND1 3.45Å; Y129-H133 HydrophobicContact CE1-CB 4.34Å; Y129-H133 AromaticContact CE1-ND1 3.92Å; Y129-H133 AromaticContact CE2-CD2 3.92Å; Y129-H133 AromaticContact CE2-CE1 3.01Å; Y129-H133 WeakPolarHBondContact CE2-CE1 3.46Å; Y129-H133 AromaticContact CE2-CG 3.91Å; Y129-H133 AromaticContact CE2-ND1 3.35Å; Y129-H133 WeakPolarHBondContact CE2-ND1 3.29Å; Y129-H133 AromaticContact CE2-NE2 3.37Å; Y129-H133 WeakPolarHBondContact CE2-NE2 3.29Å; Y129-H133 AromaticContact CG-ND1 3.8Å; Y129-H133 AromaticContact CZ-CD2 3.76Å; Y129-H133 AromaticContact CZ-CE1 3.61Å; Y129-H133 AromaticContact CZ-CG 3.68Å; Y129-H133 AromaticContact CZ-ND1 3.58Å; Y129-H133 AromaticContact CZ-NE2 3.7Å; Y129-H133 WeakPolarHBondContact O-CB 3.27Å; Y129-H133 PolarHBondContact O-N 3.37Å; Y129-H133 PolarHBondContact O-ND1 3.49Å; Y129-T140 HydrophobicContact CD1-CG2 3.83Å; Y129-T140 HydrophobicContact CE1-CG2 4.4Å; Y129-R143 VanDerWaalsContact CE2-CZ 3.44Å; Y129-R143 VanDerWaalsContact CZ-NH1 3.26Å; Y129-R143 VanDerWaalsContact OH-CD 3.3Å; Y129-R143 WeakPolarHBondContact OH-CD 3.19Å; Y129-R143 PolarHBondContact OH-NH1 2.8Å; Y129-Y144 HydrophobicContact CD1-CD2 4.44Å; Y129-Y144 AromaticContact CD1-CE2 3.69Å; Y129-Y144 HydrophobicContact CD1-CE2 3.69Å; Y129-Y144 HydrophobicContact CD2-CE2 4.19Å; Y129-Y144 HydrophobicContact CE1-CE2 4.32Å; Y129-Y144 AromaticContact CG-CE2 3.62Å; Y129-Y144 HydrophobicContact CG-CE2 3.62Å |
| 130 | C | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | -179.8 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | I126 V127 E128 H133 K135 Y137 T140 V151 V155 | I126-C130 WeakPolarHBondContact O-CB 3.49Å; I126-C130 PolarHBondContact O-N 3.25Å; V127-C130 WeakPolarHBondContact O-CB 3.31Å; V127-C130 PolarHBondContact O-N 3.36Å; V127-C130 VanDerWaalsContact O-N 3.15Å; E128-C130 PolarHBondContact O-N 3.04Å; C130-H133 PolarHBondContact O-N 2.96Å; C130-K135 WeakPolarHBondContact O-CA 3.12Å; C130-K135 PolarHBondContact O-N 3.19Å; C130-Y137 WeakPolarHBondContact SG-CD1 3.26Å; C130-T140 HydrophobicContact CB-CG2 4.02Å; C130-V151 HydrophobicContact CB-CG1 4.21Å; C130-V155 HydrophobicContact CB-CG2 3.87Å |
| 131 | L | 94.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 37% | 0.372 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 179.8 | -70.2 | 173.5 | 0 | 0 | 0 | 111.8 | V127 E128 Y129 H133 K135 V155 Y158 | V127-L131 HydrophobicContact CG1-CD1 3.92Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 2.91Å; E128-L131 PolarHBondContact O-N 3.45Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.15Å; L131-H133 VanDerWaalsContact C-N 3.34Å; L131-K135 HydrophobicContact CD2-CG 4.26Å; L131-V155 HydrophobicContact CD2-CG1 4Å; L131-Y158 HydrophobicContact CD1-CD1 4.13Å; L131-Y158 HydrophobicContact CD1-CE1 4.11Å |
| 132 | S | 95.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 62% | 0.622 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -73.8 | -23.6 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | E128 Y129 | E128-S132 PolarHBondContact O-N 3.32Å; E128-S132 PolarHBondContact O-OG 3.15Å; Y129-S132 PolarHBondContact O-N 2.66Å; Y129-S132 PolarHBondContact O-OG 3.2Å; Y129-S132 VanDerWaalsContact O-OG 3.11Å |
| 133 | H | 93.5 | Very high | 94.5 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 32.8 | 179.9 | -64 | 75.4 | 0 | 0 | 0 | 113 | Y129 C130 L131 K135 | Y129-H133 AromaticContact CD2-CE1 3.32Å; Y129-H133 WeakPolarHBondContact CD2-CE1 3.21Å; Y129-H133 AromaticContact CD2-ND1 3.49Å; Y129-H133 WeakPolarHBondContact CD2-ND1 3.45Å; Y129-H133 HydrophobicContact CE1-CB 4.34Å; Y129-H133 AromaticContact CE1-ND1 3.92Å; Y129-H133 AromaticContact CE2-CD2 3.92Å; Y129-H133 AromaticContact CE2-CE1 3.01Å; Y129-H133 WeakPolarHBondContact CE2-CE1 3.46Å; Y129-H133 AromaticContact CE2-CG 3.91Å; Y129-H133 AromaticContact CE2-ND1 3.35Å; Y129-H133 WeakPolarHBondContact CE2-ND1 3.29Å; Y129-H133 AromaticContact CE2-NE2 3.37Å; Y129-H133 WeakPolarHBondContact CE2-NE2 3.29Å; Y129-H133 AromaticContact CG-ND1 3.8Å; Y129-H133 AromaticContact CZ-CD2 3.76Å; Y129-H133 AromaticContact CZ-CE1 3.61Å; Y129-H133 AromaticContact CZ-CG 3.68Å; Y129-H133 AromaticContact CZ-ND1 3.58Å; Y129-H133 AromaticContact CZ-NE2 3.7Å; Y129-H133 WeakPolarHBondContact O-CB 3.27Å; Y129-H133 PolarHBondContact O-N 3.37Å; Y129-H133 PolarHBondContact O-ND1 3.49Å; C130-H133 PolarHBondContact O-N 2.96Å; L131-H133 VanDerWaalsContact C-N 3.34Å; H133-K135 PolarHBondContact O-N 3.11Å |
| 134 | G | 90.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 29.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N136 | G134-N136 VanDerWaalsContact C-N 3.26Å; G134-N136 PolarHBondContact O-N 2.75Å |
| 135 | K | 91.3 | Very high | 94.4 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 34.5 | -179.9 | -59 | -179.8 | -179.7 | 177.3 | 0 | 113.4 | C130 L131 H133 Y137 | C130-K135 WeakPolarHBondContact O-CA 3.12Å; C130-K135 PolarHBondContact O-N 3.19Å; L131-K135 HydrophobicContact CD2-CG 4.26Å; H133-K135 PolarHBondContact O-N 3.11Å; K135-Y137 VanDerWaalsContact C-N 3.29Å; K135-Y137 HydrophobicContact CB-CE1 4.44Å; K135-Y137 HydrophobicContact CB-CE2 4.38Å; K135-Y137 VanDerWaalsContact O-CD2 3.3Å; K135-Y137 WeakPolarHBondContact O-CD2 3.31Å; K135-Y137 WeakPolarHBondContact O-CE2 3.31Å; K135-Y137 PolarHBondContact O-N 3.28Å |
| 136 | N | 92 | Very high | 94.3 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | trans | -77.7 | 80.8 | 176.1 | -168.3 | -22.9 | 0 | 0 | 0 | 111 | G134 K138 D139 T140 | G134-N136 VanDerWaalsContact C-N 3.26Å; G134-N136 PolarHBondContact O-N 2.75Å; N136-K138 VanDerWaalsContact C-N 3.28Å; N136-K138 PolarHBondContact O-N 2.98Å; N136-D139 HydrophobicContact CB-CB 4.47Å; N136-D139 PolarHBondContact ND2-OD2 3.16Å; N136-D139 PolarHBondContact O-N 3.26Å; N136-D139 WeakPolarHBondContact OD1-CB 3.43Å; N136-D139 PolarHBondContact OD1-N 3.48Å; N136-T140 VanDerWaalsContact O-CB 3.32Å; N136-T140 WeakPolarHBondContact O-CB 3.48Å; N136-T140 PolarHBondContact O-N 3.03Å; N136-T140 PolarHBondContact O-OG1 3.25Å | ||
| 137 | Y | 94.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -38.1 | -177.4 | -52.5 | -67.8 | 0 | 0 | 0 | 112.9 | C130 K135 A141 Y148 V151 Y152 V155 | C130-Y137 WeakPolarHBondContact SG-CD1 3.26Å; K135-Y137 VanDerWaalsContact C-N 3.29Å; K135-Y137 HydrophobicContact CB-CE1 4.44Å; K135-Y137 HydrophobicContact CB-CE2 4.38Å; K135-Y137 VanDerWaalsContact O-CD2 3.3Å; K135-Y137 WeakPolarHBondContact O-CD2 3.31Å; K135-Y137 WeakPolarHBondContact O-CE2 3.31Å; K135-Y137 PolarHBondContact O-N 3.28Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.16Å; Y137-Y148 HydrophobicContact CD2-CE2 4.39Å; Y137-Y148 HydrophobicContact CG-CE2 4.38Å; Y137-V151 HydrophobicContact CD1-CG1 4.01Å; Y137-Y152 HydrophobicContact CD2-CD2 4.34Å; Y137-Y152 HydrophobicContact CE1-CD2 4.38Å; Y137-Y152 HydrophobicContact CE2-CD2 4.09Å; Y137-V155 HydrophobicContact CD1-CG2 4.39Å; Y137-V155 HydrophobicContact CE1-CB 3.92Å; Y137-V155 HydrophobicContact CE1-CG1 3.97Å; Y137-V155 HydrophobicContact CE1-CG2 3.98Å |
| 138 | K | 92.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -48.8 | -177.7 | -172.8 | -173.8 | 69.1 | 165.7 | 0 | 111.1 | D104 K106 V109 N136 A141 A142 Y148 | D104-K138 PolarHBondContact O-NZ 3Å; K106-K138 HydrophobicContact CB-CD 4.12Å; K106-K138 HydrophobicContact CB-CG 4.12Å; K106-K138 HydrophobicContact CD-CG 4.33Å; K106-K138 HydrophobicContact CG-CD 4.46Å; V109-K138 HydrophobicContact CG2-CG 4.02Å; N136-K138 VanDerWaalsContact C-N 3.28Å; N136-K138 PolarHBondContact O-N 2.98Å; K138-A141 PolarHBondContact O-N 3.07Å; K138-A142 PolarHBondContact O-N 3.49Å; K138-Y148 HydrophobicContact CB-CD2 4.44Å |
| 139 | D | 92.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.1 | -33.4 | -179.6 | -67.7 | -19.5 | 0 | 0 | 0 | 111.7 | K106 N136 A142 R143 | K106-D139 WeakPolarHBondContact CE-OD1 3.43Å; K106-D139 IonicContact NZ-OD1 2.59Å; K106-D139 PolarHBondContact NZ-OD1 3.2Å; N136-D139 HydrophobicContact CB-CB 4.47Å; N136-D139 PolarHBondContact ND2-OD2 3.16Å; N136-D139 PolarHBondContact O-N 3.26Å; N136-D139 WeakPolarHBondContact OD1-CB 3.43Å; N136-D139 PolarHBondContact OD1-N 3.48Å; D139-A142 PolarHBondContact O-N 2.84Å; D139-R143 VanDerWaalsContact O-CB 3.28Å; D139-R143 WeakPolarHBondContact O-CB 3.3Å; D139-R143 PolarHBondContact O-N 3.42Å |
| 140 | T | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 171.4 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | I126 Y129 C130 N136 A142 R143 Y144 V151 | I126-T140 HydrophobicContact CG2-CG2 3.71Å; Y129-T140 HydrophobicContact CD1-CG2 3.83Å; Y129-T140 HydrophobicContact CE1-CG2 4.4Å; C130-T140 HydrophobicContact CB-CG2 4.02Å; N136-T140 VanDerWaalsContact O-CB 3.32Å; N136-T140 WeakPolarHBondContact O-CB 3.48Å; N136-T140 PolarHBondContact O-N 3.03Å; N136-T140 PolarHBondContact O-OG1 3.25Å; T140-A142 PolarHBondContact O-N 3.49Å; T140-R143 PolarHBondContact O-N 3.35Å; T140-Y144 HydrophobicContact CG2-CD2 3.97Å; T140-Y144 HydrophobicContact CG2-CE2 4.39Å; T140-Y144 WeakPolarHBondContact O-CD2 3.37Å; T140-Y144 PolarHBondContact O-N 2.93Å; T140-V151 HydrophobicContact CG2-CG1 3.69Å; T140-V151 HydrophobicContact CG2-CG2 4.21Å |
| 141 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V109 Y137 K138 D145 V146 V151 | V109-A141 HydrophobicContact CB-CB 3.93Å; V109-A141 HydrophobicContact CG1-CB 3.87Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.16Å; K138-A141 PolarHBondContact O-N 3.07Å; A141-D145 PolarHBondContact O-N 3.27Å; A141-V146 CarbonylContact C-O 3.58Å; A141-V146 WeakPolarHBondContact CA-O 3.29Å; A141-V146 VanDerWaalsContact CB-O 3.27Å; A141-V146 WeakPolarHBondContact CB-O 3.43Å; A141-V146 PolarHBondContact O-N 3.13Å; A141-V146 VanDerWaalsContact O-O 3.13Å; A141-V151 HydrophobicContact CB-CG2 3.81Å |
| 142 | A | 92.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K106 V109 K138 D139 T140 Y144 | K106-A142 HydrophobicContact CD-CB 3.83Å; V109-A142 HydrophobicContact CG1-CB 3.88Å; K138-A142 PolarHBondContact O-N 3.49Å; D139-A142 PolarHBondContact O-N 2.84Å; T140-A142 PolarHBondContact O-N 3.49Å; A142-Y144 PolarHBondContact O-N 2.75Å |
| 143 | R | 93.8 | Very high | 94.1 | Very high | 157 Ų | 157 | 54.5 Ų | 54.5 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | -179.6 | -178.8 | 173.4 | -177.5 | 150.3 | 1.4 | 112.6 | Y129 D139 T140 | Y129-R143 VanDerWaalsContact CE2-CZ 3.44Å; Y129-R143 VanDerWaalsContact CZ-NH1 3.26Å; Y129-R143 VanDerWaalsContact OH-CD 3.3Å; Y129-R143 WeakPolarHBondContact OH-CD 3.19Å; Y129-R143 PolarHBondContact OH-NH1 2.8Å; D139-R143 VanDerWaalsContact O-CB 3.28Å; D139-R143 WeakPolarHBondContact O-CB 3.3Å; D139-R143 PolarHBondContact O-N 3.42Å; T140-R143 PolarHBondContact O-N 3.35Å |
| 144 | Y | 94.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 51 Ų | 51 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -98.2 | 4.3 | -175.7 | -75.2 | -83.6 | 0 | 0 | 0 | 113.9 | R116 E125 I126 Y129 T140 A142 V146 | R116-Y144 PolarHBondContact NH1-O 3.47Å; E125-Y144 HydrophobicContact CG-CE1 4.48Å; E125-Y144 VanDerWaalsContact OE1-CE1 3.31Å; E125-Y144 WeakPolarHBondContact OE1-CE1 3.24Å; E125-Y144 PolarHBondContact OE1-OH 3.06Å; I126-Y144 HydrophobicContact CD1-CD1 4.16Å; I126-Y144 HydrophobicContact CD1-CG 4.09Å; I126-Y144 HydrophobicContact CG1-CD1 3.54Å; I126-Y144 HydrophobicContact CG1-CD2 3.91Å; I126-Y144 HydrophobicContact CG1-CE1 3.97Å; I126-Y144 HydrophobicContact CG1-CE2 4.31Å; I126-Y144 HydrophobicContact CG1-CG 3.5Å; I126-Y144 HydrophobicContact CG2-CD2 4.48Å; Y129-Y144 HydrophobicContact CD1-CD2 4.44Å; Y129-Y144 AromaticContact CD1-CE2 3.69Å; Y129-Y144 HydrophobicContact CD1-CE2 3.69Å; Y129-Y144 HydrophobicContact CD2-CE2 4.19Å; Y129-Y144 HydrophobicContact CE1-CE2 4.32Å; Y129-Y144 AromaticContact CG-CE2 3.62Å; Y129-Y144 HydrophobicContact CG-CE2 3.62Å; T140-Y144 HydrophobicContact CG2-CD2 3.97Å; T140-Y144 HydrophobicContact CG2-CE2 4.39Å; T140-Y144 WeakPolarHBondContact O-CD2 3.37Å; T140-Y144 PolarHBondContact O-N 2.93Å; A142-Y144 PolarHBondContact O-N 2.75Å; Y144-V146 PolarHBondContact O-N 3.49Å |
| 145 | D | 93.3 | Very high | 94.4 | Very high | 117 Ų | 117 | 48 Ų | 48 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 56.1 | -176.3 | -167.5 | 41.7 | 0 | 0 | 0 | 112.3 | R116 A141 | R116-D145 PolarHBondContact NH1-O 3.11Å; A141-D145 PolarHBondContact O-N 3.27Å |
| 146 | V | 94.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | trans | -133.7 | 162.2 | 177 | -65.3 | 0 | 0 | 0 | 0 | 109.3 | A114 R116 T118 I126 A141 Y144 V151 W154 | A114-V146 CarbonylContact O-C 3.41Å; R116-V146 HydrophobicContact CB-CG1 4.31Å; T118-V146 HydrophobicContact CG2-CG1 3.98Å; I126-V146 HydrophobicContact CD1-CG1 4.13Å; I126-V146 HydrophobicContact CD1-CG2 4.43Å; A141-V146 CarbonylContact C-O 3.58Å; A141-V146 WeakPolarHBondContact CA-O 3.29Å; A141-V146 VanDerWaalsContact CB-O 3.27Å; A141-V146 WeakPolarHBondContact CB-O 3.43Å; A141-V146 PolarHBondContact O-N 3.13Å; A141-V146 VanDerWaalsContact O-O 3.13Å; Y144-V146 PolarHBondContact O-N 3.49Å; V146-V151 HydrophobicContact CG2-CG2 3.5Å; V146-W154 HydrophobicContact CB-CH2 4.31Å; V146-W154 HydrophobicContact CB-CZ3 4.24Å; V146-W154 HydrophobicContact CG1-CH2 4.02Å; V146-W154 HydrophobicContact CG1-CZ3 4.15Å; V146-W154 HydrophobicContact CG2-CZ3 4.12Å | ||
| 147 | S | 95.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -74.3 | 148.8 | -179.8 | 96.7 | 0 | 0 | 0 | 0 | 112 | V109 A114 S149 Q150 V151 | V109-S147 CarbonylContact O-C 3.52Å; V109-S147 WeakPolarHBondContact O-CA 3.44Å; A114-S147 PolarHBondContact O-N 3.04Å; S147-S149 PolarHBondContact O-N 3.26Å; S147-S149 PolarHBondContact OG-N 2.86Å; S147-Q150 WeakPolarHBondContact O-CB 3.49Å; S147-Q150 PolarHBondContact O-N 3.47Å; S147-Q150 WeakPolarHBondContact OG-CG 3.14Å; S147-Q150 PolarHBondContact OG-N 3.39Å; S147-V151 PolarHBondContact O-N 3.21Å | ||
| 148 | Y | 95.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 50 Ų | 50 | 26% | 0.263 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -48.3 | -46.1 | 172.3 | 173.2 | -86.8 | 0 | 0 | 0 | 111.3 | V109 Y110 Y137 K138 Q150 V151 Y152 | V109-Y148 PolarHBondContact O-N 3.46Å; Y110-Y148 HydrophobicContact CD1-CD1 4.38Å; Y110-Y148 HydrophobicContact CD1-CG 4.13Å; Y110-Y148 AromaticContact CE1-CD1 3.96Å; Y110-Y148 HydrophobicContact CE1-CD1 3.96Å; Y110-Y148 AromaticContact CE1-CD2 3.84Å; Y110-Y148 HydrophobicContact CE1-CD2 3.84Å; Y110-Y148 HydrophobicContact CE1-CE2 4.36Å; Y110-Y148 AromaticContact CE1-CG 3.61Å; Y110-Y148 HydrophobicContact CE1-CG 3.61Å; Y137-Y148 HydrophobicContact CD2-CE2 4.39Å; Y137-Y148 HydrophobicContact CG-CE2 4.38Å; K138-Y148 HydrophobicContact CB-CD2 4.44Å; Y148-Q150 VanDerWaalsContact C-N 3.29Å; Y148-Q150 PolarHBondContact O-N 2.88Å; Y148-V151 PolarHBondContact O-N 3.31Å; Y148-Y152 WeakPolarHBondContact O-CB 3.35Å; Y148-Y152 PolarHBondContact O-N 3.36Å |
| 149 | S | 95.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.3 | -36.2 | -179.8 | -47.5 | 0 | 0 | 0 | 0 | 112.3 | S147 D153 | S147-S149 PolarHBondContact O-N 3.26Å; S147-S149 PolarHBondContact OG-N 2.86Å; S149-D153 VanDerWaalsContact O-CB 3.31Å; S149-D153 WeakPolarHBondContact O-CB 3.26Å; S149-D153 PolarHBondContact O-N 3.19Å |
| 150 | Q | 94.9 | Very high | 95 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 177.1 | -71 | -176 | -76.5 | 0 | 0 | 111.1 | R115 R116 S147 Y148 Y152 D153 W154 | R115-Q150 VanDerWaalsContact CA-OE1 3.31Å; R116-Q150 PolarHBondContact O-NE2 3.43Å; S147-Q150 WeakPolarHBondContact O-CB 3.49Å; S147-Q150 PolarHBondContact O-N 3.47Å; S147-Q150 WeakPolarHBondContact OG-CG 3.14Å; S147-Q150 PolarHBondContact OG-N 3.39Å; Y148-Q150 VanDerWaalsContact C-N 3.29Å; Y148-Q150 PolarHBondContact O-N 2.88Å; Q150-Y152 VanDerWaalsContact C-N 3.33Å; Q150-Y152 PolarHBondContact O-N 3.48Å; Q150-D153 PolarHBondContact O-N 3.33Å; Q150-W154 HydrophobicContact CB-CD2 4.25Å; Q150-W154 HydrophobicContact CB-CE3 4.17Å; Q150-W154 HydrophobicContact CB-CH2 3.64Å; Q150-W154 HydrophobicContact CB-CZ2 3.75Å; Q150-W154 HydrophobicContact CB-CZ3 3.86Å; Q150-W154 HydrophobicContact CG-CH2 4.27Å; Q150-W154 HydrophobicContact CG-CZ2 4.14Å; Q150-W154 WeakPolarHBondContact O-CB 3.27Å; Q150-W154 PolarHBondContact O-N 3.1Å |
| 151 | V | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | I126 C130 Y137 T140 A141 V146 S147 Y148 D153 W154 V155 | I126-V151 HydrophobicContact CG2-CG1 4.2Å; I126-V151 HydrophobicContact CG2-CG2 4.12Å; C130-V151 HydrophobicContact CB-CG1 4.21Å; Y137-V151 HydrophobicContact CD1-CG1 4.01Å; T140-V151 HydrophobicContact CG2-CG1 3.69Å; T140-V151 HydrophobicContact CG2-CG2 4.21Å; A141-V151 HydrophobicContact CB-CG2 3.81Å; V146-V151 HydrophobicContact CG2-CG2 3.5Å; S147-V151 PolarHBondContact O-N 3.21Å; Y148-V151 PolarHBondContact O-N 3.31Å; V151-D153 PolarHBondContact O-N 2.95Å; V151-W154 PolarHBondContact O-N 3.21Å; V151-V155 HydrophobicContact CG1-CG2 4.3Å; V151-V155 VanDerWaalsContact O-CG2 3.31Å; V151-V155 WeakPolarHBondContact O-CG2 3.38Å; V151-V155 PolarHBondContact O-N 3.01Å |
| 152 | Y | 95.8 | Very high | 94.8 | Very high | 102 Ų | 102 | 58.4 Ų | 58.4 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 178.6 | -179.9 | -95.7 | 0 | 0 | 0 | 112.2 | Y137 Y148 Q150 W154 V155 R156 | Y137-Y152 HydrophobicContact CD2-CD2 4.34Å; Y137-Y152 HydrophobicContact CE1-CD2 4.38Å; Y137-Y152 HydrophobicContact CE2-CD2 4.09Å; Y148-Y152 WeakPolarHBondContact O-CB 3.35Å; Y148-Y152 PolarHBondContact O-N 3.36Å; Q150-Y152 VanDerWaalsContact C-N 3.33Å; Q150-Y152 PolarHBondContact O-N 3.48Å; Y152-W154 PolarHBondContact O-N 3.05Å; Y152-V155 PolarHBondContact O-N 3.22Å; Y152-R156 VanDerWaalsContact O-CB 3.27Å; Y152-R156 WeakPolarHBondContact O-CB 3.38Å; Y152-R156 PolarHBondContact O-N 3.48Å |
| 153 | D | 95.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.1 | -84.3 | -36.6 | 0 | 0 | 0 | 112.5 | S149 Q150 V151 R156 K157 | S149-D153 VanDerWaalsContact O-CB 3.31Å; S149-D153 WeakPolarHBondContact O-CB 3.26Å; S149-D153 PolarHBondContact O-N 3.19Å; Q150-D153 PolarHBondContact O-N 3.33Å; V151-D153 PolarHBondContact O-N 2.95Å; D153-R156 IonicContact OD1-CZ 3.95Å; D153-R156 IonicContact OD1-NE 3.36Å; D153-R156 IonicContact OD1-NH2 2.76Å; D153-R156 PolarHBondContact OD1-NH2 2.84Å; D153-K157 WeakPolarHBondContact O-CB 3.08Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 2.91Å |
| 154 | W | 95.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 177.6 | -65.4 | -30.6 | 0 | 0 | 0 | 111.5 | T118 R123 I126 V127 V146 Q150 V151 Y152 R156 K157 Y158 L166 | T118-W154 HydrophobicContact CG2-CH2 3.7Å; T118-W154 HydrophobicContact CG2-CZ2 4.29Å; T118-W154 WeakPolarHBondContact OG1-CH2 3.39Å; T118-W154 WeakPolarHBondContact OG1-CZ2 3.37Å; R123-W154 HydrophobicContact CB-CD2 4.33Å; R123-W154 HydrophobicContact CG-CD2 3.93Å; R123-W154 HydrophobicContact CG-CE3 4.31Å; R123-W154 HydrophobicContact CG-CG 4.45Å; R123-W154 HydrophobicContact CG-CH2 4.18Å; R123-W154 HydrophobicContact CG-CZ2 3.76Å; R123-W154 HydrophobicContact CG-CZ3 4.43Å; I126-W154 HydrophobicContact CD1-CE3 4.44Å; I126-W154 HydrophobicContact CD1-CH2 4.42Å; I126-W154 HydrophobicContact CD1-CZ3 3.7Å; I126-W154 HydrophobicContact CG2-CE3 4.02Å; I126-W154 HydrophobicContact CG2-CZ3 4.12Å; V127-W154 HydrophobicContact CG2-CB 3.54Å; V146-W154 HydrophobicContact CB-CH2 4.31Å; V146-W154 HydrophobicContact CB-CZ3 4.24Å; V146-W154 HydrophobicContact CG1-CH2 4.02Å; V146-W154 HydrophobicContact CG1-CZ3 4.15Å; V146-W154 HydrophobicContact CG2-CZ3 4.12Å; Q150-W154 HydrophobicContact CB-CD2 4.25Å; Q150-W154 HydrophobicContact CB-CE3 4.17Å; Q150-W154 HydrophobicContact CB-CH2 3.64Å; Q150-W154 HydrophobicContact CB-CZ2 3.75Å; Q150-W154 HydrophobicContact CB-CZ3 3.86Å; Q150-W154 HydrophobicContact CG-CH2 4.27Å; Q150-W154 HydrophobicContact CG-CZ2 4.14Å; Q150-W154 WeakPolarHBondContact O-CB 3.27Å; Q150-W154 PolarHBondContact O-N 3.1Å; V151-W154 PolarHBondContact O-N 3.21Å; Y152-W154 PolarHBondContact O-N 3.05Å; W154-R156 VanDerWaalsContact C-N 3.31Å; W154-R156 PolarHBondContact O-N 3.25Å; W154-K157 PolarHBondContact O-N 3.27Å; W154-Y158 WeakPolarHBondContact O-CB 3.25Å; W154-Y158 PolarHBondContact O-N 2.91Å; W154-L166 HydrophobicContact CB-CD2 3.65Å; W154-L166 HydrophobicContact CG-CD2 4.09Å; W154-L166 WeakPolarHBondContact O-CD2 3.49Å |
| 155 | V | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | V127 C130 L131 Y137 V151 Y152 Y158 A159 | V127-V155 HydrophobicContact CB-CG2 4.41Å; V127-V155 HydrophobicContact CG1-CG2 4.19Å; V127-V155 HydrophobicContact CG2-CG2 4.05Å; C130-V155 HydrophobicContact CB-CG2 3.87Å; L131-V155 HydrophobicContact CD2-CG1 4Å; Y137-V155 HydrophobicContact CD1-CG2 4.39Å; Y137-V155 HydrophobicContact CE1-CB 3.92Å; Y137-V155 HydrophobicContact CE1-CG1 3.97Å; Y137-V155 HydrophobicContact CE1-CG2 3.98Å; V151-V155 HydrophobicContact CG1-CG2 4.3Å; V151-V155 VanDerWaalsContact O-CG2 3.31Å; V151-V155 WeakPolarHBondContact O-CG2 3.38Å; V151-V155 PolarHBondContact O-N 3.01Å; Y152-V155 PolarHBondContact O-N 3.22Å; V155-Y158 PolarHBondContact O-N 2.99Å; V155-A159 WeakPolarHBondContact O-CB 3.21Å; V155-A159 PolarHBondContact O-N 2.89Å |
| 156 | R | 96.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 49.8 Ų | 49.8 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.8 | -177.4 | -179.1 | 61.1 | 82.7 | -1.1 | 112.4 | Y152 D153 W154 A159 A160 | Y152-R156 VanDerWaalsContact O-CB 3.27Å; Y152-R156 WeakPolarHBondContact O-CB 3.38Å; Y152-R156 PolarHBondContact O-N 3.48Å; D153-R156 IonicContact OD1-CZ 3.95Å; D153-R156 IonicContact OD1-NE 3.36Å; D153-R156 IonicContact OD1-NH2 2.76Å; D153-R156 PolarHBondContact OD1-NH2 2.84Å; W154-R156 VanDerWaalsContact C-N 3.31Å; W154-R156 PolarHBondContact O-N 3.25Å; R156-A159 PolarHBondContact O-N 2.75Å; R156-A160 PolarHBondContact O-N 3.2Å |
| 157 | K | 95.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 177.3 | -73.1 | 175.9 | 179.5 | -170.9 | 0 | 112 | D153 W154 A159 A160 D161 G165 | D153-K157 WeakPolarHBondContact O-CB 3.08Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 2.91Å; W154-K157 PolarHBondContact O-N 3.27Å; K157-A159 VanDerWaalsContact C-N 3.32Å; K157-A160 PolarHBondContact O-N 3.31Å; K157-D161 PolarHBondContact O-N 3.22Å; K157-G165 WeakPolarHBondContact CD-O 3.37Å |
| 158 | Y | 95.5 | Very high | 93.1 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 175.3 | -172.9 | -91.3 | 0 | 0 | 0 | 111.9 | V127 L131 W154 V155 A160 G162 E163 L166 | V127-Y158 HydrophobicContact CG1-CD1 3.64Å; V127-Y158 HydrophobicContact CG1-CD2 4.11Å; V127-Y158 HydrophobicContact CG1-CE1 4.22Å; V127-Y158 HydrophobicContact CG1-CG 3.57Å; L131-Y158 HydrophobicContact CD1-CD1 4.13Å; L131-Y158 HydrophobicContact CD1-CE1 4.11Å; W154-Y158 WeakPolarHBondContact O-CB 3.25Å; W154-Y158 PolarHBondContact O-N 2.91Å; V155-Y158 PolarHBondContact O-N 2.99Å; Y158-A160 VanDerWaalsContact C-N 3.27Å; Y158-A160 PolarHBondContact O-N 3.38Å; Y158-G162 WeakPolarHBondContact CA-O 3.31Å; Y158-G162 VanDerWaalsContact CD2-C 3.5Å; Y158-G162 WeakPolarHBondContact CD2-O 3.07Å; Y158-G162 WeakPolarHBondContact O-CA 3.34Å; Y158-G162 PolarHBondContact O-N 2.93Å; Y158-E163 HydrophobicContact CE2-CB 4.45Å; Y158-L166 HydrophobicContact CD2-CD1 3.71Å; Y158-L166 HydrophobicContact CD2-CG 4.09Å; Y158-L166 HydrophobicContact CE2-CD1 4.4Å |
| 159 | A | 93.6 | Very high | 92.2 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 69% | 0.694 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -28.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V155 R156 K157 | V155-A159 WeakPolarHBondContact O-CB 3.21Å; V155-A159 PolarHBondContact O-N 2.89Å; R156-A159 PolarHBondContact O-N 2.75Å; K157-A159 VanDerWaalsContact C-N 3.32Å |
| 160 | A | 94.4 | Very high | 91.1 | Very high | 75 Ų | 75 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -84.9 | -49.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R156 K157 Y158 | R156-A160 PolarHBondContact O-N 3.2Å; K157-A160 PolarHBondContact O-N 3.31Å; Y158-A160 VanDerWaalsContact C-N 3.27Å; Y158-A160 PolarHBondContact O-N 3.38Å |
| 161 | D | 92.8 | Very high | 89.7 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -124.6 | 9.8 | -168 | -54.6 | -58.1 | 0 | 0 | 0 | 113.2 | K157 T164 | K157-D161 PolarHBondContact O-N 3.22Å; D161-T164 PolarHBondContact O-N 2.91Å; D161-T164 PolarHBondContact O-OG1 3.39Å |
| 162 | G | 93.1 | Very high | 88.3 | Confident | 26 Ų | 26 | 79 Ų | 79 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | 60.4 | -145.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y158 T164 G165 | Y158-G162 WeakPolarHBondContact CA-O 3.31Å; Y158-G162 VanDerWaalsContact CD2-C 3.5Å; Y158-G162 WeakPolarHBondContact CD2-O 3.07Å; Y158-G162 WeakPolarHBondContact O-CA 3.34Å; Y158-G162 PolarHBondContact O-N 2.93Å; G162-T164 PolarHBondContact O-N 2.76Å; G162-G165 PolarHBondContact O-N 3.24Å; G162-G165 VanDerWaalsContact O-N 3.11Å |
| 163 | E | 91.2 | Very high | 86.7 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -59.9 | -30.2 | 179.9 | -171.3 | 163.7 | -174.2 | 0 | 0 | 112.9 | K124 Y158 G165 L166 | K124-E163 HydrophobicContact CD-CG 4.38Å; K124-E163 WeakPolarHBondContact CD-OE1 3.5Å; K124-E163 VanDerWaalsContact NZ-CD 3.34Å; K124-E163 IonicContact NZ-OE1 3.64Å; K124-E163 PolarHBondContact NZ-OE1 3.34Å; K124-E163 IonicContact NZ-OE2 2.72Å; K124-E163 PolarHBondContact NZ-OE2 2.91Å; Y158-E163 HydrophobicContact CE2-CB 4.45Å; E163-G165 PolarHBondContact O-N 3Å; E163-L166 WeakPolarHBondContact O-CB 3.34Å; E163-L166 PolarHBondContact O-N 3.35Å |
| 164 | T | 88.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 84.9 Ų | 84.9 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -67.2 | -23.8 | 179.3 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | D161 G162 L166 R169 | D161-T164 PolarHBondContact O-N 2.91Å; D161-T164 PolarHBondContact O-OG1 3.39Å; G162-T164 PolarHBondContact O-N 2.76Å; T164-L166 VanDerWaalsContact C-N 3.27Å; T164-L166 PolarHBondContact O-N 3.29Å; T164-R169 PolarHBondContact O-NH2 3.4Å |
| 165 | G | 89.1 | Confident | 84 | Confident | 10 Ų | 10 | 87.4 Ų | 87.4 | 10% | 0.103 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -71.7 | -18.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K157 G162 E163 | K157-G165 WeakPolarHBondContact CD-O 3.37Å; G162-G165 PolarHBondContact O-N 3.24Å; G162-G165 VanDerWaalsContact O-N 3.11Å; E163-G165 PolarHBondContact O-N 3Å |
| 166 | L | 90.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 90.9 Ų | 90.9 | 2% | 0.016 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -87.2 | -12.6 | 179.6 | -60.9 | -177.5 | 0 | 0 | 0 | 113.8 | L120 R123 K124 V127 W154 Y158 E163 T164 D168 | L120-L166 HydrophobicContact CD1-CB 3.56Å; R123-L166 HydrophobicContact CB-CB 4.46Å; R123-L166 HydrophobicContact CB-CD1 4.17Å; R123-L166 PolarHBondContact NH1-O 3.04Å; K124-L166 HydrophobicContact CB-CD1 4.23Å; V127-L166 HydrophobicContact CG2-CD1 4.29Å; V127-L166 HydrophobicContact CG2-CD2 4.17Å; W154-L166 HydrophobicContact CB-CD2 3.65Å; W154-L166 HydrophobicContact CG-CD2 4.09Å; W154-L166 WeakPolarHBondContact O-CD2 3.49Å; Y158-L166 HydrophobicContact CD2-CD1 3.71Å; Y158-L166 HydrophobicContact CD2-CG 4.09Å; Y158-L166 HydrophobicContact CE2-CD1 4.4Å; E163-L166 WeakPolarHBondContact O-CB 3.34Å; E163-L166 PolarHBondContact O-N 3.35Å; T164-L166 VanDerWaalsContact C-N 3.27Å; T164-L166 PolarHBondContact O-N 3.29Å; L166-D168 PolarHBondContact O-N 3.29Å |
| 167 | I | 86.9 | Confident | 81 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -66.8 | 128.3 | 179.2 | -58 | 174.9 | 0 | 0 | 0 | 109.5 | L120 R169 | L120-I167 HydrophobicContact CD1-CG1 4.09Å; L120-I167 HydrophobicContact CD2-CG1 4.04Å; I167-R169 HydrophobicContact CG2-CG 4.34Å; I167-R169 PolarHBondContact O-N 3.25Å |
| 168 | D | 81.5 | Confident | 79.5 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | trans | -76.3 | 114.2 | 173.5 | -162.1 | -10.1 | 0 | 0 | 0 | 109.9 | L166 R170 | L166-D168 PolarHBondContact O-N 3.29Å; D168-R170 VanDerWaalsContact OD1-CB 3.3Å; D168-R170 WeakPolarHBondContact OD1-CB 3.4Å; D168-R170 WeakPolarHBondContact OD1-CD 3.41Å; D168-R170 WeakPolarHBondContact OD1-CG 3.37Å; D168-R170 PolarHBondContact OD1-N 3.42Å | ||
| 169 | R | 76.8 | Confident | 78 | Confident | 161 Ų | 161 | 93.5 Ų | 93.5 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | trans | -105 | 14 | 178.3 | -57 | -176.8 | -170.8 | 172.6 | 5.1 | 112.4 | T164 I167 G171 H172 | T164-R169 PolarHBondContact O-NH2 3.4Å; I167-R169 HydrophobicContact CG2-CG 4.34Å; I167-R169 PolarHBondContact O-N 3.25Å; R169-G171 PolarHBondContact O-N 3.3Å; R169-H172 PolarHBondContact O-N 3.05Å | ||
| 170 | R | 73.4 | Confident | 77.2 | Confident | 203 Ų | 203 | 94.9 Ų | 94.9 | 77% | 0.766 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 128.1 | 177.4 | -73.3 | 171.4 | 177.9 | -162.8 | -1.6 | 110.4 | D168 H172 | D168-R170 VanDerWaalsContact OD1-CB 3.3Å; D168-R170 WeakPolarHBondContact OD1-CB 3.4Å; D168-R170 WeakPolarHBondContact OD1-CD 3.41Å; D168-R170 WeakPolarHBondContact OD1-CG 3.37Å; D168-R170 PolarHBondContact OD1-N 3.42Å; R170-H172 PolarHBondContact O-N 3.38Å |
| 171 | G | 65.9 | Low | 76.5 | Confident | 74 Ų | 74 | 98 Ų | 98 | 76% | 0.763 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -11.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R169 H173 | R169-G171 PolarHBondContact O-N 3.3Å; G171-H173 PolarHBondContact O-N 3.34Å |
| 172 | H | 67 | Low | 75.9 | Confident | 155 Ų | 155 | 97.6 Ų | 97.6 | 72% | 0.718 | 49% | 0.49 | S | S | * | . | trans | -86.6 | 90.5 | 172.6 | -77.5 | -73.1 | 0 | 0 | 0 | 109.7 | R169 R170 | R169-H172 PolarHBondContact O-N 3.05Å; R170-H172 PolarHBondContact O-N 3.38Å | ||
| 173 | H | 61.4 | Low | 75.2 | Confident | 154 Ų | 154 | 100.3 Ų | 100.3 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 133.4 | 160.9 | -68 | -72.1 | 0 | 0 | 0 | 108.4 | G171 T175 | G171-H173 PolarHBondContact O-N 3.34Å; H173-T175 PolarHBondContact O-N 3.02Å |
| 174 | K | 67.7 | Low | 74.7 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 134.4 | 165.6 | -65.6 | -177.8 | 179.2 | -173.2 | 0 | 108.8 | E178 V179 R187 | K174-E178 WeakPolarHBondContact CA-OE2 3.47Å; K174-E178 HydrophobicContact CB-CB 4.07Å; K174-V179 HydrophobicContact CB-CG2 3.47Å; K174-V179 VanDerWaalsContact CB-CG2 3.47Å; K174-V179 HydrophobicContact CD-CG2 4.26Å; K174-R187 PolarHBondContact O-NH1 3Å |
| 175 | T | 66.4 | Low | 74.5 | Confident | 73 Ų | 73 | 102.4 Ų | 102.4 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 158.8 | 175.1 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | H173 E177 E178 V179 | H173-T175 PolarHBondContact O-N 3.02Å; T175-E177 PolarHBondContact O-N 3.39Å; T175-E178 PolarHBondContact N-OE2 3.24Å; T175-E178 PolarHBondContact O-N 3.36Å; T175-E178 WeakPolarHBondContact OG1-CG 3.3Å; T175-V179 WeakPolarHBondContact O-CG2 3.17Å; T175-V179 PolarHBondContact O-N 3.06Å |
| 176 | D | 64.1 | Low | 74.3 | Confident | 79 Ų | 79 | 110.1 Ų | 110.1 | 42% | 0.422 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.7 | -179.4 | -78.8 | -7.2 | 0 | 0 | 0 | 112.7 | R187 R191 | D176-R187 IonicContact OD1-NH1 3.26Å; D176-R191 IonicContact OD2-NH2 2.69Å |
| 177 | E | 65.2 | Low | 74 | Confident | 187 Ų | 187 | 113 Ų | 113 | 87% | 0.874 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -29.3 | 175.1 | -63.6 | 173.7 | -179.5 | 0 | 0 | 113.4 | T175 | T175-E177 PolarHBondContact O-N 3.39Š|
| 178 | E | 64.8 | Low | 74.2 | Confident | 128 Ų | 128 | 112.7 Ų | 112.7 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.5 | 179.8 | -70.7 | 176.8 | 158.9 | 0 | 0 | 113.2 | K174 T175 | K174-E178 WeakPolarHBondContact CA-OE2 3.47Å; K174-E178 HydrophobicContact CB-CB 4.07Å; T175-E178 PolarHBondContact N-OE2 3.24Å; T175-E178 PolarHBondContact O-N 3.36Å; T175-E178 WeakPolarHBondContact OG1-CG 3.3Å |
| 179 | V | 63.1 | Low | 74.7 | Confident | 12 Ų | 12 | 112.7 Ų | 112.7 | 7% | 0.073 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -91.4 | 134.4 | -175.2 | 178.9 | 0 | 0 | 0 | 0 | 109 | K174 T175 E183 | K174-V179 HydrophobicContact CB-CG2 3.47Å; K174-V179 VanDerWaalsContact CB-CG2 3.47Å; K174-V179 HydrophobicContact CD-CG2 4.26Å; T175-V179 WeakPolarHBondContact O-CG2 3.17Å; T175-V179 PolarHBondContact O-N 3.06Å; V179-E183 HydrophobicContact CG1-CB 3.42Å; V179-E183 VanDerWaalsContact CG1-CB 3.42Å; V179-E183 HydrophobicContact CG1-CG 3.54Å |
| 180 | D | 76.2 | Confident | 75.4 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | trans | -52.5 | 142.6 | 172.5 | 179.2 | 35.7 | 0 | 0 | 0 | 110.9 | M182 E183 R184 | D180-M182 PolarHBondContact O-N 3.02Å; D180-M182 WeakPolarHBondContact OD2-CB 3.45Å; D180-E183 PolarHBondContact O-N 2.87Å; D180-R184 PolarHBondContact O-N 3.05Å | ||
| 181 | E | 81.4 | Confident | 76.3 | Confident | 141 Ų | 141 | 106.3 Ų | 106.3 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -51.9 | -38.4 | -175.8 | -176.2 | 178.4 | -174.6 | 0 | 0 | 110.8 | E183 R184 L185 | E181-E183 PolarHBondContact O-N 3.12Å; E181-R184 PolarHBondContact O-N 3.25Å; E181-L185 HydrophobicContact CG-CD1 4.11Å; E181-L185 WeakPolarHBondContact O-CB 3.2Å; E181-L185 WeakPolarHBondContact O-CG 3.3Å; E181-L185 PolarHBondContact O-N 2.9Å |
| 182 | M | 79 | Confident | 77.7 | Confident | 93 Ų | 93 | 107 Ų | 107 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 179.1 | -168.4 | 73 | -78.6 | 0 | 0 | 113.1 | D180 L185 R186 | D180-M182 PolarHBondContact O-N 3.02Å; D180-M182 WeakPolarHBondContact OD2-CB 3.45Å; M182-L185 HydrophobicContact CE-CB 4.08Å; M182-L185 HydrophobicContact CE-CD1 4.12Å; M182-R186 VanDerWaalsContact O-CG 3.3Å; M182-R186 WeakPolarHBondContact O-CG 3.32Å; M182-R186 PolarHBondContact O-N 3Å; M182-R186 VanDerWaalsContact O-N 3.12Å |
| 183 | E | 78.8 | Confident | 79 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78 | -34.5 | 178.3 | -178.6 | 175.2 | 162.2 | 0 | 0 | 111.8 | V179 D180 E181 R186 R187 | V179-E183 HydrophobicContact CG1-CB 3.42Å; V179-E183 VanDerWaalsContact CG1-CB 3.42Å; V179-E183 HydrophobicContact CG1-CG 3.54Å; D180-E183 PolarHBondContact O-N 2.87Å; E181-E183 PolarHBondContact O-N 3.12Å; E183-R186 PolarHBondContact O-N 2.82Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 3.4Å; E183-R187 IonicContact OE1-CZ 3.96Å; E183-R187 IonicContact OE1-NE 3.47Å; E183-R187 IonicContact OE1-NH2 3.23Å; E183-R187 PolarHBondContact OE1-NH2 3.21Å |
| 184 | R | 80.6 | Confident | 80.6 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 170.4 | -179.8 | -175.9 | 139.9 | -166.9 | -6.4 | 110.9 | D180 E181 R186 R187 E188 | D180-R184 PolarHBondContact O-N 3.05Å; E181-R184 PolarHBondContact O-N 3.25Å; R184-R186 VanDerWaalsContact C-N 3.32Å; R184-R186 PolarHBondContact O-N 3.46Å; R184-R187 PolarHBondContact O-N 3.36Å; R184-E188 WeakPolarHBondContact O-CB 3.43Å; R184-E188 PolarHBondContact O-N 3.43Å |
| 185 | L | 83.9 | Confident | 82 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -37 | 177.3 | -73.5 | 171.4 | 0 | 0 | 0 | 112.3 | E181 M182 E188 N189 | E181-L185 HydrophobicContact CG-CD1 4.11Å; E181-L185 WeakPolarHBondContact O-CB 3.2Å; E181-L185 WeakPolarHBondContact O-CG 3.3Å; E181-L185 PolarHBondContact O-N 2.9Å; M182-L185 HydrophobicContact CE-CB 4.08Å; M182-L185 HydrophobicContact CE-CD1 4.12Å; L185-E188 PolarHBondContact O-N 2.94Å; L185-N189 WeakPolarHBondContact O-CB 3.45Å; L185-N189 PolarHBondContact O-N 3.02Å |
| 186 | R | 85.8 | Confident | 83.3 | Confident | 172 Ų | 172 | 106.2 Ų | 106.2 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 174 | -75.5 | 172.1 | -176.3 | 178.2 | 3 | 112.3 | M182 E183 R184 E188 N189 Q190 | M182-R186 VanDerWaalsContact O-CG 3.3Å; M182-R186 WeakPolarHBondContact O-CG 3.32Å; M182-R186 PolarHBondContact O-N 3Å; M182-R186 VanDerWaalsContact O-N 3.12Å; E183-R186 PolarHBondContact O-N 2.82Å; R184-R186 VanDerWaalsContact C-N 3.32Å; R184-R186 PolarHBondContact O-N 3.46Å; R186-E188 VanDerWaalsContact C-N 3.34Å; R186-N189 PolarHBondContact O-N 2.85Å; R186-Q190 PolarHBondContact O-N 3.05Å |
| 187 | R | 84.2 | Confident | 84.8 | Confident | 63 Ų | 63 | 107.1 Ų | 107.1 | 24% | 0.238 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.5 | -70.1 | 177.4 | -174.2 | -177.1 | 5.9 | 110.9 | K174 D176 E183 R184 Q190 R191 | K174-R187 PolarHBondContact O-NH1 3Å; D176-R187 IonicContact OD1-NH1 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 3.4Å; E183-R187 IonicContact OE1-CZ 3.96Å; E183-R187 IonicContact OE1-NE 3.47Å; E183-R187 IonicContact OE1-NH2 3.23Å; E183-R187 PolarHBondContact OE1-NH2 3.21Å; R184-R187 PolarHBondContact O-N 3.36Å; R187-Q190 PolarHBondContact O-N 3.46Å; R187-R191 WeakPolarHBondContact O-CG 3.22Å; R187-R191 PolarHBondContact O-N 2.92Å |
| 188 | E | 90.5 | Very high | 86.1 | Confident | 73 Ų | 73 | 102 Ų | 102 | 34% | 0.341 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.5 | -171.9 | 168.4 | -171.9 | 0 | 0 | 112.3 | R184 L185 R186 Q190 R191 L192 | R184-E188 WeakPolarHBondContact O-CB 3.43Å; R184-E188 PolarHBondContact O-N 3.43Å; L185-E188 PolarHBondContact O-N 2.94Å; R186-E188 VanDerWaalsContact C-N 3.34Å; E188-Q190 VanDerWaalsContact C-N 3.26Å; E188-Q190 PolarHBondContact O-N 3.03Å; E188-R191 WeakPolarHBondContact O-CB 3.09Å; E188-R191 PolarHBondContact O-N 3.38Å; E188-L192 HydrophobicContact CG-CD1 4.16Å; E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 2.98Å |
| 189 | N | 91.9 | Very high | 87.5 | Confident | 80 Ų | 80 | 101.8 Ų | 101.8 | 43% | 0.428 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 176.1 | -167.5 | -93.6 | 0 | 0 | 0 | 111.9 | L185 R186 L192 K193 | L185-N189 WeakPolarHBondContact O-CB 3.45Å; L185-N189 PolarHBondContact O-N 3.02Å; R186-N189 PolarHBondContact O-N 2.85Å; N189-L192 PolarHBondContact O-N 3.13Å; N189-K193 WeakPolarHBondContact O-CB 3.49Å; N189-K193 WeakPolarHBondContact O-CG 3.47Å; N189-K193 PolarHBondContact O-N 3.46Å; N189-K193 WeakPolarHBondContact OD1-CD 3.43Å; N189-K193 WeakPolarHBondContact OD1-CE 3.41Å; N189-K193 PolarHBondContact OD1-NZ 3.29Å |
| 190 | Q | 91.8 | Very high | 89 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 174.9 | -167.8 | -178.9 | 30.3 | 0 | 0 | 112.2 | R186 R187 E188 R194 | R186-Q190 PolarHBondContact O-N 3.05Å; R187-Q190 PolarHBondContact O-N 3.46Å; E188-Q190 VanDerWaalsContact C-N 3.26Å; E188-Q190 PolarHBondContact O-N 3.03Å; Q190-R194 WeakPolarHBondContact O-CG 3.37Å; Q190-R194 PolarHBondContact O-N 2.91Å; Q190-R194 VanDerWaalsContact O-N 3.13Å |
| 191 | R | 92.3 | Very high | 89.8 | Confident | 121 Ų | 121 | 105.6 Ų | 105.6 | 46% | 0.457 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 174.2 | -73.2 | -174 | -77.2 | -151.8 | -0.5 | 111.1 | D176 R187 E188 K193 R194 Q195 | D176-R191 IonicContact OD2-NH2 2.69Å; R187-R191 WeakPolarHBondContact O-CG 3.22Å; R187-R191 PolarHBondContact O-N 2.92Å; E188-R191 WeakPolarHBondContact O-CB 3.09Å; E188-R191 PolarHBondContact O-N 3.38Å; R191-K193 PolarHBondContact O-N 3.27Å; R191-R194 PolarHBondContact O-N 3.5Å; R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.34Å |
| 192 | L | 95 | Very high | 90.4 | Very high | 89 Ų | 89 | 101.7 Ų | 101.7 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.4 | -72.3 | 170.7 | 0 | 0 | 0 | 112.1 | E188 N189 R194 Q195 L196 | E188-L192 HydrophobicContact CG-CD1 4.16Å; E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 2.98Å; N189-L192 PolarHBondContact O-N 3.13Å; L192-R194 PolarHBondContact O-N 3.48Å; L192-Q195 PolarHBondContact O-N 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 PolarHBondContact O-N 2.99Å |
| 193 | K | 95.7 | Very high | 91.1 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 53% | 0.53 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 174.5 | -80.5 | 173.5 | 173.7 | 164.7 | 0 | 112.4 | N189 R191 Q195 L196 E197 | N189-K193 WeakPolarHBondContact O-CB 3.49Å; N189-K193 WeakPolarHBondContact O-CG 3.47Å; N189-K193 PolarHBondContact O-N 3.46Å; N189-K193 WeakPolarHBondContact OD1-CD 3.43Å; N189-K193 WeakPolarHBondContact OD1-CE 3.41Å; N189-K193 PolarHBondContact OD1-NZ 3.29Å; R191-K193 PolarHBondContact O-N 3.27Å; K193-Q195 VanDerWaalsContact C-N 3.34Å; K193-Q195 PolarHBondContact O-N 3.03Å; K193-L196 PolarHBondContact O-N 2.91Å; K193-E197 WeakPolarHBondContact O-CB 3.39Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.21Å |
| 194 | R | 94.4 | Very high | 91.9 | Very high | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 176.2 | -70.5 | 175.7 | -173.5 | 176.8 | 5.4 | 112 | Q190 R191 L192 E198 | Q190-R194 WeakPolarHBondContact O-CG 3.37Å; Q190-R194 PolarHBondContact O-N 2.91Å; Q190-R194 VanDerWaalsContact O-N 3.13Å; R191-R194 PolarHBondContact O-N 3.5Å; L192-R194 PolarHBondContact O-N 3.48Å; R194-E198 WeakPolarHBondContact O-CB 3.35Å; R194-E198 PolarHBondContact O-N 2.85Å |
| 195 | Q | 96.2 | Very high | 92.5 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.9 | -74.1 | 178.3 | -22.1 | 0 | 0 | 111.9 | R191 L192 K193 E198 Q199 | R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.34Å; L192-Q195 PolarHBondContact O-N 3.25Å; K193-Q195 VanDerWaalsContact C-N 3.34Å; K193-Q195 PolarHBondContact O-N 3.03Å; Q195-E198 PolarHBondContact O-N 3.47Å; Q195-Q199 WeakPolarHBondContact O-CB 3.48Å; Q195-Q199 WeakPolarHBondContact O-CG 3.43Å; Q195-Q199 PolarHBondContact O-N 2.87Å |
| 196 | L | 95.3 | Very high | 92.7 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 176.7 | -176.5 | 65 | 0 | 0 | 0 | 110.9 | L192 K193 E198 Q199 E200 | L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 PolarHBondContact O-N 2.99Å; K193-L196 PolarHBondContact O-N 2.91Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.91Å; L196-Q199 PolarHBondContact O-N 3.42Å; L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 3.39Å |
| 197 | E | 94 | Very high | 92.9 | Very high | 97 Ų | 97 | 93.7 Ų | 93.7 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57 | -43.7 | 175.2 | -75.7 | 175.8 | -156.1 | 0 | 0 | 111.7 | K193 E200 R201 | K193-E197 WeakPolarHBondContact O-CB 3.39Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.21Å; E197-E200 PolarHBondContact O-N 3.04Å; E197-R201 WeakPolarHBondContact O-CG 3.22Å; E197-R201 PolarHBondContact O-N 3.48Å; E197-R201 IonicContact OE2-NH2 3.36Å |
| 198 | E | 93.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 92.9 Ų | 92.9 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 178.1 | -173.3 | 73.4 | 172.6 | 0 | 0 | 111.8 | R194 Q195 L196 R201 L202 W238 | R194-E198 WeakPolarHBondContact O-CB 3.35Å; R194-E198 PolarHBondContact O-N 2.85Å; Q195-E198 PolarHBondContact O-N 3.47Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.91Å; E198-R201 PolarHBondContact O-N 2.99Å; E198-L202 WeakPolarHBondContact O-CB 3.36Å; E198-L202 PolarHBondContact O-N 3.31Å; E198-W238 PolarHBondContact OE1-NE1 2.67Å |
| 199 | Q | 94.7 | Very high | 92.9 | Very high | 125 Ų | 125 | 90.6 Ų | 90.6 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 176.9 | -75.7 | -177.3 | -25.1 | 0 | 0 | 112 | Q195 L196 R201 L202 V203 | Q195-Q199 WeakPolarHBondContact O-CB 3.48Å; Q195-Q199 WeakPolarHBondContact O-CG 3.43Å; Q195-Q199 PolarHBondContact O-N 2.87Å; L196-Q199 PolarHBondContact O-N 3.42Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.38Å; Q199-L202 PolarHBondContact O-N 3.36Å; Q199-V203 WeakPolarHBondContact O-CB 3.5Å; Q199-V203 VanDerWaalsContact O-CG2 3.3Å; Q199-V203 WeakPolarHBondContact O-CG2 3.41Å; Q199-V203 PolarHBondContact O-N 3.46Å |
| 200 | E | 94.9 | Very high | 92.6 | Very high | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 176.3 | -75.2 | 178.9 | 171 | 0 | 0 | 111.7 | L196 E197 V203 Y204 | L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 3.39Å; E197-E200 PolarHBondContact O-N 3.04Å; E200-V203 PolarHBondContact O-N 3.37Å; E200-Y204 WeakPolarHBondContact O-CB 3.32Å; E200-Y204 PolarHBondContact O-N 3.43Å |
| 201 | R | 92.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 93 Ų | 93 | 33% | 0.332 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.9 | -67.7 | 175 | -171.7 | -173.8 | 4.6 | 111.3 | E197 E198 Q199 Y204 F205 W234 W238 | E197-R201 WeakPolarHBondContact O-CG 3.22Å; E197-R201 PolarHBondContact O-N 3.48Å; E197-R201 IonicContact OE2-NH2 3.36Å; E198-R201 PolarHBondContact O-N 2.99Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.38Å; R201-Y204 PolarHBondContact O-N 2.76Å; R201-F205 WeakPolarHBondContact O-CB 3.44Å; R201-F205 PolarHBondContact O-N 3.26Å; R201-W234 HydrophobicContact CB-CH2 4.06Å; R201-W234 HydrophobicContact CB-CZ2 3.92Å; R201-W234 HydrophobicContact CB-CZ3 4.46Å; R201-W234 HydrophobicContact CG-CD2 4.39Å; R201-W234 HydrophobicContact CG-CH2 4.21Å; R201-W234 HydrophobicContact CG-CZ2 3.56Å; R201-W238 HydrophobicContact CB-CH2 3.56Å; R201-W238 HydrophobicContact CB-CZ2 4.03Å; R201-W238 HydrophobicContact CB-CZ3 4.25Å |
| 202 | L | 93.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 87.7 Ų | 87.7 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 179.5 | 179.4 | 59.2 | 0 | 0 | 0 | 111.4 | E198 Q199 Y204 F205 L206 Q242 | E198-L202 WeakPolarHBondContact O-CB 3.36Å; E198-L202 PolarHBondContact O-N 3.31Å; Q199-L202 PolarHBondContact O-N 3.36Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 2.91Å; L202-F205 PolarHBondContact O-N 3.11Å; L202-L206 HydrophobicContact CD1-CD1 4.08Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CG-CD1 3.99Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.13Å; L202-Q242 HydrophobicContact CD1-CB 4.38Å; L202-Q242 HydrophobicContact CD1-CG 4.22Å |
| 203 | V | 94.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 90 Ų | 90 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.6 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | Q199 E200 K207 | Q199-V203 WeakPolarHBondContact O-CB 3.5Å; Q199-V203 VanDerWaalsContact O-CG2 3.3Å; Q199-V203 WeakPolarHBondContact O-CG2 3.41Å; Q199-V203 PolarHBondContact O-N 3.46Å; E200-V203 PolarHBondContact O-N 3.37Å; V203-K207 HydrophobicContact CG1-CD 4.22Å; V203-K207 WeakPolarHBondContact O-CB 3.17Å; V203-K207 VanDerWaalsContact O-CG 3.32Å; V203-K207 WeakPolarHBondContact O-CG 3.32Å; V203-K207 PolarHBondContact O-N 3.13Å |
| 204 | Y | 94.1 | Very high | 88.9 | Confident | 66 Ų | 66 | 88.1 Ų | 88.1 | 26% | 0.259 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.9 | -178.6 | -83.9 | 0 | 0 | 0 | 111.7 | E200 R201 L202 L206 K207 K208 E231 K232 W234 | E200-Y204 WeakPolarHBondContact O-CB 3.32Å; E200-Y204 PolarHBondContact O-N 3.43Å; R201-Y204 PolarHBondContact O-N 2.76Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 2.91Å; Y204-L206 PolarHBondContact O-N 3.1Å; Y204-K207 PolarHBondContact O-N 3.08Å; Y204-K208 HydrophobicContact CD1-CG 4Å; Y204-K208 HydrophobicContact CE1-CD 4.32Å; Y204-K208 HydrophobicContact CE1-CG 3.65Å; Y204-K208 VanDerWaalsContact CZ-CE 3.43Å; Y204-K208 WeakPolarHBondContact O-CG 3.49Å; Y204-K208 PolarHBondContact O-N 3.27Å; Y204-K208 WeakPolarHBondContact OH-CE 3.3Å; Y204-E231 PolarHBondContact OH-OE2 3.02Å; Y204-K232 HydrophobicContact CE1-CG 3.98Å; Y204-K232 VanDerWaalsContact OH-CE 3.32Å; Y204-K232 WeakPolarHBondContact OH-CE 3.47Å; Y204-W234 AromaticContact CD1-CH2 3.35Å; Y204-W234 HydrophobicContact CD1-CH2 3.35Å; Y204-W234 AromaticContact CD1-CZ3 3.58Å; Y204-W234 HydrophobicContact CD1-CZ3 3.58Å; Y204-W234 HydrophobicContact CE1-CH2 4.14Å; Y204-W234 HydrophobicContact CE1-CZ3 4.28Å; Y204-W234 AromaticContact CG-CH2 3.76Å; Y204-W234 HydrophobicContact CG-CH2 3.76Å; Y204-W234 HydrophobicContact CG-CZ3 4.37Å |
| 205 | F | 93.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 0% | 0.004 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 179.6 | -176.5 | -132.9 | 0 | 0 | 0 | 112 | R201 L202 K207 K208 L209 A224 I225 C228 W234 L239 Q242 V243 | R201-F205 WeakPolarHBondContact O-CB 3.44Å; R201-F205 PolarHBondContact O-N 3.26Å; L202-F205 PolarHBondContact O-N 3.11Å; F205-K207 PolarHBondContact O-N 2.91Å; F205-K208 WeakPolarHBondContact O-CB 3.33Å; F205-K208 PolarHBondContact O-N 2.88Å; F205-L209 HydrophobicContact CD1-CD1 4.12Å; F205-L209 HydrophobicContact CE1-CD1 3.87Å; F205-L209 HydrophobicContact CE2-CD1 4.37Å; F205-L209 HydrophobicContact CE2-CD2 4.5Å; F205-L209 HydrophobicContact CE2-CG 4.23Å; F205-L209 HydrophobicContact CG-CD1 4.47Å; F205-L209 HydrophobicContact CZ-CD1 4.01Å; F205-L209 HydrophobicContact CZ-CD2 4.39Å; F205-L209 HydrophobicContact CZ-CG 4.27Å; F205-L209 WeakPolarHBondContact O-CG 3.32Å; F205-L209 PolarHBondContact O-N 2.93Å; F205-A224 HydrophobicContact CE2-CB 3.97Å; F205-I225 HydrophobicContact CE2-CG1 4.29Å; F205-I225 HydrophobicContact CZ-CG1 3.86Å; F205-C228 HydrophobicContact CD2-CB 4.18Å; F205-C228 VanDerWaalsContact CD2-SG 3.58Å; F205-W234 HydrophobicContact CB-CZ3 4.34Å; F205-L239 HydrophobicContact CD1-CD2 4.13Å; F205-L239 HydrophobicContact CD2-CD2 3.72Å; F205-L239 HydrophobicContact CE1-CD2 4.16Å; F205-L239 HydrophobicContact CE2-CD2 3.77Å; F205-L239 HydrophobicContact CG-CD2 3.91Å; F205-L239 HydrophobicContact CZ-CB 4.47Å; F205-L239 HydrophobicContact CZ-CD2 4Å; F205-Q242 HydrophobicContact CD1-CB 3.86Å; F205-Q242 HydrophobicContact CD1-CG 4.31Å; F205-Q242 HydrophobicContact CE1-CB 3.78Å; F205-V243 HydrophobicContact CE1-CG1 3.77Å; F205-V243 HydrophobicContact CZ-CG1 4.02Å |
| 206 | L | 89.7 | Confident | 85.4 | Confident | 93 Ų | 93 | 89.2 Ų | 89.2 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.9 | -69.6 | 173.5 | 0 | 0 | 0 | 112.2 | L202 Y204 K208 L209 K210 | L202-L206 HydrophobicContact CD1-CD1 4.08Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CG-CD1 3.99Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.13Å; Y204-L206 PolarHBondContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.32Å; L206-K208 PolarHBondContact O-N 3.19Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 3.42Å; L206-K210 WeakPolarHBondContact O-CB 3.4Å; L206-K210 PolarHBondContact O-N 3.17Å |
| 207 | K | 89.1 | Confident | 83.6 | Confident | 147 Ų | 147 | 95 Ų | 95 | 64% | 0.639 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.7 | -40 | 173.5 | -77 | 177.8 | 178.7 | -178.6 | 0 | 111.8 | V203 Y204 F205 K210 A211 | V203-K207 HydrophobicContact CG1-CD 4.22Å; V203-K207 WeakPolarHBondContact O-CB 3.17Å; V203-K207 VanDerWaalsContact O-CG 3.32Å; V203-K207 WeakPolarHBondContact O-CG 3.32Å; V203-K207 PolarHBondContact O-N 3.13Å; Y204-K207 PolarHBondContact O-N 3.08Å; F205-K207 PolarHBondContact O-N 2.91Å; K207-K210 PolarHBondContact O-N 2.86Å; K207-A211 PolarHBondContact O-N 3.5Å |
| 208 | K | 88.1 | Confident | 81.9 | Confident | 47 Ų | 47 | 98 Ų | 98 | 20% | 0.204 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 175.4 | -75.8 | -72.8 | -165.8 | 165 | 0 | 112.3 | Y204 F205 L206 K210 A211 L212 E231 | Y204-K208 HydrophobicContact CD1-CG 4Å; Y204-K208 HydrophobicContact CE1-CD 4.32Å; Y204-K208 HydrophobicContact CE1-CG 3.65Å; Y204-K208 VanDerWaalsContact CZ-CE 3.43Å; Y204-K208 WeakPolarHBondContact O-CG 3.49Å; Y204-K208 PolarHBondContact O-N 3.27Å; Y204-K208 WeakPolarHBondContact OH-CE 3.3Å; F205-K208 WeakPolarHBondContact O-CB 3.33Å; F205-K208 PolarHBondContact O-N 2.88Å; L206-K208 VanDerWaalsContact C-N 3.32Å; L206-K208 PolarHBondContact O-N 3.19Å; K208-K210 VanDerWaalsContact C-N 3.33Å; K208-K210 PolarHBondContact O-N 3.23Å; K208-A211 PolarHBondContact O-N 3.41Å; K208-L212 PolarHBondContact O-N 3.4Å; K208-E231 WeakPolarHBondContact CE-OE2 3.47Å; K208-E231 VanDerWaalsContact NZ-CD 3.25Å; K208-E231 IonicContact NZ-OE1 3.94Å; K208-E231 PolarHBondContact NZ-OE1 3.36Å; K208-E231 IonicContact NZ-OE2 3.89Å; K208-E231 PolarHBondContact NZ-OE2 2.89Å |
| 209 | L | 87 | Confident | 80.5 | Confident | 25 Ų | 25 | 94.9 Ų | 94.9 | 13% | 0.131 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 173.5 | -74.9 | 165.8 | 0 | 0 | 0 | 111.3 | F205 L206 A211 L212 E213 I220 T221 A224 V243 | F205-L209 HydrophobicContact CD1-CD1 4.12Å; F205-L209 HydrophobicContact CE1-CD1 3.87Å; F205-L209 HydrophobicContact CE2-CD1 4.37Å; F205-L209 HydrophobicContact CE2-CD2 4.5Å; F205-L209 HydrophobicContact CE2-CG 4.23Å; F205-L209 HydrophobicContact CG-CD1 4.47Å; F205-L209 HydrophobicContact CZ-CD1 4.01Å; F205-L209 HydrophobicContact CZ-CD2 4.39Å; F205-L209 HydrophobicContact CZ-CG 4.27Å; F205-L209 WeakPolarHBondContact O-CG 3.32Å; F205-L209 PolarHBondContact O-N 2.93Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 3.42Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 2.96Å; L209-L212 PolarHBondContact O-N 2.96Å; L209-L212 VanDerWaalsContact O-N 3.13Å; L209-E213 PolarHBondContact O-N 2.97Å; L209-I220 HydrophobicContact CD2-CG2 4.33Å; L209-T221 HydrophobicContact CD2-CG2 4.39Å; L209-A224 HydrophobicContact CD2-CB 3.42Å; L209-A224 VanDerWaalsContact CD2-CB 3.42Å; L209-A224 HydrophobicContact CG-CB 4.01Å; L209-V243 HydrophobicContact CD1-CG1 3.56Å; L209-V243 HydrophobicContact CD2-CG1 4.22Å |
| 210 | K | 85.6 | Confident | 79.6 | Confident | 155 Ų | 155 | 89.5 Ų | 89.5 | 67% | 0.674 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 178.3 | -170.3 | 175 | -176.3 | 176.9 | 0 | 112.9 | L206 K207 K208 L212 E213 | L206-K210 WeakPolarHBondContact O-CB 3.4Å; L206-K210 PolarHBondContact O-N 3.17Å; K207-K210 PolarHBondContact O-N 2.86Å; K208-K210 VanDerWaalsContact C-N 3.33Å; K208-K210 PolarHBondContact O-N 3.23Å; K210-L212 PolarHBondContact O-N 3.43Å; K210-E213 WeakPolarHBondContact O-CB 3.46Å; K210-E213 PolarHBondContact O-N 2.88Å |
| 211 | A | 83.1 | Confident | 79.1 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 69% | 0.686 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.1 | -24.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K207 K208 L209 | K207-A211 PolarHBondContact O-N 3.5Å; K208-A211 PolarHBondContact O-N 3.41Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 2.96Å |
| 212 | L | 78.3 | Confident | 78.9 | Confident | 10 Ų | 10 | 83.1 Ų | 83.1 | 5% | 0.052 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -93.5 | -11.5 | 179.6 | -68.2 | 170.6 | 0 | 0 | 0 | 113.2 | K208 L209 K210 G214 R215 I220 E223 A224 | K208-L212 PolarHBondContact O-N 3.4Å; L209-L212 PolarHBondContact O-N 2.96Å; L209-L212 VanDerWaalsContact O-N 3.13Å; K210-L212 PolarHBondContact O-N 3.43Å; L212-G214 PolarHBondContact O-N 3.41Å; L212-R215 VanDerWaalsContact CD2-NH1 3.28Å; L212-R215 WeakPolarHBondContact O-CB 3.37Å; L212-R215 PolarHBondContact O-N 2.93Å; L212-I220 HydrophobicContact CB-CB 4.44Å; L212-I220 HydrophobicContact CB-CG1 4.25Å; L212-I220 HydrophobicContact CB-CG2 3.71Å; L212-I220 VanDerWaalsContact O-CD1 3.31Å; L212-I220 WeakPolarHBondContact O-CD1 3.37Å; L212-I220 VanDerWaalsContact O-CG1 3.27Å; L212-I220 WeakPolarHBondContact O-CG1 3.33Å; L212-E223 HydrophobicContact CD1-CB 4.43Å; L212-A224 HydrophobicContact CD1-CB 3.76Å |
| 213 | E | 71.6 | Confident | 78.6 | Confident | 136 Ų | 136 | 82.3 Ų | 82.3 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.8 | -173.7 | -164.6 | 170.9 | -167.5 | 0 | 0 | 114.5 | L209 K210 R215 | L209-E213 PolarHBondContact O-N 2.97Å; K210-E213 WeakPolarHBondContact O-CB 3.46Å; K210-E213 PolarHBondContact O-N 2.88Å; E213-R215 PolarHBondContact O-N 2.92Å |
| 214 | G | 63.4 | Low | 78.4 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 87% | 0.866 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -2.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L212 | L212-G214 PolarHBondContact O-N 3.41Š|
| 215 | R | 63.4 | Low | 78.3 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -104.7 | 176.5 | 179.2 | -60.6 | -179.4 | 179.7 | 167 | -0.5 | 111.3 | L212 E213 R217 I220 E223 | L212-R215 VanDerWaalsContact CD2-NH1 3.28Å; L212-R215 WeakPolarHBondContact O-CB 3.37Å; L212-R215 PolarHBondContact O-N 2.93Å; E213-R215 PolarHBondContact O-N 2.92Å; R215-R217 PolarHBondContact O-N 3.49Å; R215-I220 HydrophobicContact CB-CD1 4.47Å; R215-I220 HydrophobicContact CB-CG1 4.13Å; R215-I220 WeakPolarHBondContact O-CD1 3.08Å; R215-E223 IonicContact NH1-OE2 2.58Å |
| 216 | L | 53.8 | Low | 78.3 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | trans | -55.9 | 122.9 | -177.6 | -132.4 | 87.9 | 0 | 0 | 0 | 111.7 | H218 A219 I220 | L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.64Å; L216-A219 PolarHBondContact O-N 2.78Å; L216-I220 WeakPolarHBondContact O-CG1 3.27Å; L216-I220 PolarHBondContact O-N 2.82Å | ||
| 217 | R | 58.6 | Low | 78.4 | Confident | 218 Ų | 218 | 78.2 Ų | 78.2 | 82% | 0.823 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -39.5 | -165.5 | -129.1 | -178.8 | -72.9 | -178.8 | -1.8 | 116.5 | R215 | R215-R217 PolarHBondContact O-N 3.49Š|
| 218 | H | 56.7 | Low | 78.7 | Confident | 161 Ų | 161 | 71.2 Ų | 71.2 | 75% | 0.745 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -29.6 | -176.7 | -67.8 | -69.1 | 0 | 0 | 0 | 114.2 | L216 I220 T221 Y222 | L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.64Å; H218-I220 VanDerWaalsContact C-N 3.27Å; H218-I220 PolarHBondContact O-N 2.88Å; H218-T221 PolarHBondContact O-OG1 3.13Å; H218-Y222 WeakPolarHBondContact O-CD2 3.34Å |
| 219 | A | 65.3 | Low | 79 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L216 T221 Y222 E223 | L216-A219 PolarHBondContact O-N 2.78Å; A219-T221 PolarHBondContact O-N 3.22Å; A219-Y222 PolarHBondContact O-N 3.34Å; A219-E223 WeakPolarHBondContact O-CB 3.35Å; A219-E223 WeakPolarHBondContact O-CG 3.27Å; A219-E223 PolarHBondContact O-N 3.19Å |
| 220 | I | 75.4 | Confident | 79.4 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -53.9 | -47.7 | -179.1 | -70.3 | 161.4 | 0 | 0 | 0 | 113.2 | L209 L212 R215 L216 H218 A224 | L209-I220 HydrophobicContact CD2-CG2 4.33Å; L212-I220 HydrophobicContact CB-CB 4.44Å; L212-I220 HydrophobicContact CB-CG1 4.25Å; L212-I220 HydrophobicContact CB-CG2 3.71Å; L212-I220 VanDerWaalsContact O-CD1 3.31Å; L212-I220 WeakPolarHBondContact O-CD1 3.37Å; L212-I220 VanDerWaalsContact O-CG1 3.27Å; L212-I220 WeakPolarHBondContact O-CG1 3.33Å; R215-I220 HydrophobicContact CB-CD1 4.47Å; R215-I220 HydrophobicContact CB-CG1 4.13Å; R215-I220 WeakPolarHBondContact O-CD1 3.08Å; L216-I220 WeakPolarHBondContact O-CG1 3.27Å; L216-I220 PolarHBondContact O-N 2.82Å; H218-I220 VanDerWaalsContact C-N 3.27Å; H218-I220 PolarHBondContact O-N 2.88Å; I220-A224 WeakPolarHBondContact O-CB 3.49Å; I220-A224 PolarHBondContact O-N 3.43Å |
| 221 | T | 84.8 | Confident | 79.7 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.6 | -45 | -173 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | L209 H218 A219 A224 I225 I245 | L209-T221 HydrophobicContact CD2-CG2 4.39Å; H218-T221 PolarHBondContact O-OG1 3.13Å; A219-T221 PolarHBondContact O-N 3.22Å; T221-A224 PolarHBondContact O-N 3.24Å; T221-I225 WeakPolarHBondContact O-CD1 3.15Å; T221-I225 WeakPolarHBondContact O-CG1 3.4Å; T221-I225 PolarHBondContact O-N 3.35Å; T221-I245 HydrophobicContact CG2-CD1 4.23Å; T221-I245 VanDerWaalsContact OG1-CD1 3.25Å; T221-I245 WeakPolarHBondContact OG1-CD1 3.38Å |
| 222 | Y | 89.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 15% | 0.153 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 179 | -57 | -68.4 | 0 | 0 | 0 | 112.5 | H218 A219 I225 Q226 I245 S249 Y250 W253 | H218-Y222 WeakPolarHBondContact O-CD2 3.34Å; A219-Y222 PolarHBondContact O-N 3.34Å; Y222-I225 WeakPolarHBondContact O-CB 3.39Å; Y222-I225 PolarHBondContact O-N 3.39Å; Y222-Q226 WeakPolarHBondContact O-CB 3.12Å; Y222-Q226 PolarHBondContact O-N 3.39Å; Y222-I245 HydrophobicContact CE1-CD1 4.18Å; Y222-I245 HydrophobicContact CE1-CG2 3.76Å; Y222-S249 PolarHBondContact OH-OG 3.31Å; Y222-Y250 HydrophobicContact CD1-CD2 4.05Å; Y222-W253 VanDerWaalsContact CB-CE2 3.41Å; Y222-W253 VanDerWaalsContact CB-CE3 3.45Å; Y222-W253 HydrophobicContact CD1-CB 3.99Å; Y222-W253 HydrophobicContact CD1-CD2 4.35Å; Y222-W253 HydrophobicContact CD1-CG 4.08Å; Y222-W253 HydrophobicContact CD2-CB 4.06Å; Y222-W253 AromaticContact CD2-CD1 3.34Å; Y222-W253 AromaticContact CD2-CD2 3.98Å; Y222-W253 HydrophobicContact CD2-CD2 3.98Å; Y222-W253 AromaticContact CD2-CG 3.53Å; Y222-W253 HydrophobicContact CD2-CG 3.53Å; Y222-W253 AromaticContact CD2-NE1 3.67Å; Y222-W253 HydrophobicContact CE1-CB 4.15Å; Y222-W253 HydrophobicContact CE2-CB 4.25Å; Y222-W253 AromaticContact CE2-CD1 3.88Å; Y222-W253 HydrophobicContact CE2-CG 4.12Å; Y222-W253 HydrophobicContact CG-CB 3.94Å; Y222-W253 AromaticContact CG-CD1 3.82Å; Y222-W253 AromaticContact CG-CD2 3.63Å; Y222-W253 HydrophobicContact CG-CD2 3.63Å; Y222-W253 AromaticContact CG-CE2 4Å; Y222-W253 HydrophobicContact CG-CE3 4.13Å; Y222-W253 AromaticContact CG-CG 3.52Å; Y222-W253 HydrophobicContact CG-CG 3.52Å |
| 223 | E | 86.9 | Confident | 81 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.5 | -76.2 | 176.1 | -151.5 | 0 | 0 | 111.5 | L212 R215 A219 I225 Q226 Q227 W253 | L212-E223 HydrophobicContact CD1-CB 4.43Å; R215-E223 IonicContact NH1-OE2 2.58Å; A219-E223 WeakPolarHBondContact O-CB 3.35Å; A219-E223 WeakPolarHBondContact O-CG 3.27Å; A219-E223 PolarHBondContact O-N 3.19Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 PolarHBondContact O-N 2.96Å; E223-Q226 PolarHBondContact O-N 3.49Å; E223-Q227 WeakPolarHBondContact O-CB 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.19Å; E223-Q227 PolarHBondContact O-N 3.46Å; E223-W253 HydrophobicContact CG-CH2 4.04Å; E223-W253 HydrophobicContact CG-CZ2 3.92Å |
| 224 | A | 89.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F205 L209 L212 I220 T221 C228 | F205-A224 HydrophobicContact CE2-CB 3.97Å; L209-A224 HydrophobicContact CD2-CB 3.42Å; L209-A224 VanDerWaalsContact CD2-CB 3.42Å; L209-A224 HydrophobicContact CG-CB 4.01Å; L212-A224 HydrophobicContact CD1-CB 3.76Å; I220-A224 WeakPolarHBondContact O-CB 3.49Å; I220-A224 PolarHBondContact O-N 3.43Å; T221-A224 PolarHBondContact O-N 3.24Å; A224-C228 WeakPolarHBondContact O-CB 3.49Å; A224-C228 PolarHBondContact O-N 3.32Å; A224-C228 PolarHBondContact O-SG 3.21Å |
| 225 | I | 92.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 174.4 | -67.9 | 163.9 | 0 | 0 | 0 | 109.8 | F205 T221 Y222 E223 Q227 C228 H229 I236 L239 V243 Y250 | F205-I225 HydrophobicContact CE2-CG1 4.29Å; F205-I225 HydrophobicContact CZ-CG1 3.86Å; T221-I225 WeakPolarHBondContact O-CD1 3.15Å; T221-I225 WeakPolarHBondContact O-CG1 3.4Å; T221-I225 PolarHBondContact O-N 3.35Å; Y222-I225 WeakPolarHBondContact O-CB 3.39Å; Y222-I225 PolarHBondContact O-N 3.39Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 PolarHBondContact O-N 2.96Å; I225-Q227 PolarHBondContact O-N 3.38Å; I225-C228 PolarHBondContact O-N 2.86Å; I225-H229 VanDerWaalsContact O-CB 3.27Å; I225-H229 WeakPolarHBondContact O-CB 3.42Å; I225-H229 PolarHBondContact O-N 3.48Å; I225-I236 HydrophobicContact CG2-CD1 3.86Å; I225-L239 HydrophobicContact CB-CB 4.46Å; I225-L239 HydrophobicContact CG1-CB 4.08Å; I225-L239 HydrophobicContact CG2-CB 3.95Å; I225-L239 HydrophobicContact CG2-CD1 4Å; I225-V243 HydrophobicContact CD1-CG2 4.01Å; I225-Y250 HydrophobicContact CB-CD2 4.06Å; I225-Y250 HydrophobicContact CB-CE2 3.94Å; I225-Y250 HydrophobicContact CD1-CD2 4.28Å; I225-Y250 HydrophobicContact CG2-CD2 3.63Å; I225-Y250 HydrophobicContact CG2-CE2 3.47Å; I225-Y250 VanDerWaalsContact CG2-CE2 3.47Å; I225-Y250 HydrophobicContact CG2-CG 4.34Å |
| 226 | Q | 93 | Very high | 85.1 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | -178.9 | -172.9 | -179 | 19.6 | 0 | 0 | 111.6 | Y222 E223 H229 A230 Y250 | Y222-Q226 WeakPolarHBondContact O-CB 3.12Å; Y222-Q226 PolarHBondContact O-N 3.39Å; E223-Q226 PolarHBondContact O-N 3.49Å; Q226-H229 PolarHBondContact O-N 2.9Å; Q226-A230 WeakPolarHBondContact O-CB 3.49Å; Q226-A230 PolarHBondContact O-N 3.05Å; Q226-Y250 HydrophobicContact CB-CE2 4.33Å |
| 227 | Q | 91.9 | Very high | 87.1 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 177.7 | -72.9 | -179.8 | 13.2 | 0 | 0 | 111.7 | E223 I225 H229 A230 E231 | E223-Q227 WeakPolarHBondContact O-CB 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.19Å; E223-Q227 PolarHBondContact O-N 3.46Å; I225-Q227 PolarHBondContact O-N 3.38Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.33Å; Q227-A230 PolarHBondContact O-N 3.28Å; Q227-E231 WeakPolarHBondContact O-CB 3.49Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.46Å |
| 228 | C | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 179.6 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | F205 A224 I225 K232 W234 L239 | F205-C228 HydrophobicContact CD2-CB 4.18Å; F205-C228 VanDerWaalsContact CD2-SG 3.58Å; A224-C228 WeakPolarHBondContact O-CB 3.49Å; A224-C228 PolarHBondContact O-N 3.32Å; A224-C228 PolarHBondContact O-SG 3.21Å; I225-C228 PolarHBondContact O-N 2.86Å; C228-K232 WeakPolarHBondContact O-CA 3.21Å; C228-K232 WeakPolarHBondContact O-CB 3.38Å; C228-K232 PolarHBondContact O-N 2.9Å; C228-W234 HydrophobicContact CB-CE3 4.04Å; C228-W234 HydrophobicContact CB-CZ3 4.27Å; C228-L239 HydrophobicContact CB-CD1 4.22Å; C228-L239 HydrophobicContact CB-CD2 4.05Å |
| 229 | H | 95.4 | Very high | 90.7 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 171.9 | -177.7 | 61.2 | 0 | 0 | 0 | 111.7 | I225 Q226 Q227 G233 W234 I236 L239 | I225-H229 VanDerWaalsContact O-CB 3.27Å; I225-H229 WeakPolarHBondContact O-CB 3.42Å; I225-H229 PolarHBondContact O-N 3.48Å; Q226-H229 PolarHBondContact O-N 2.9Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.33Å; H229-G233 WeakPolarHBondContact O-CA 3.46Å; H229-G233 PolarHBondContact O-N 3.18Å; H229-W234 PolarHBondContact ND1-O 2.94Å; H229-I236 HydrophobicContact CB-CD1 3.63Å; H229-I236 VanDerWaalsContact CG-CD1 3.46Å; H229-L239 HydrophobicContact CB-CD1 4.16Å |
| 230 | A | 94.4 | Very high | 92 | Very high | 84 Ų | 84 | 43.9 Ų | 43.9 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.6 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q226 Q227 | Q226-A230 WeakPolarHBondContact O-CB 3.49Å; Q226-A230 PolarHBondContact O-N 3.05Å; Q227-A230 PolarHBondContact O-N 3.28Å |
| 231 | E | 93.7 | Very high | 92.9 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -78.6 | -38.1 | -176.8 | -70.2 | 176.9 | -176.3 | 0 | 0 | 113.3 | Y204 K208 Q227 | Y204-E231 PolarHBondContact OH-OE2 3.02Å; K208-E231 WeakPolarHBondContact CE-OE2 3.47Å; K208-E231 VanDerWaalsContact NZ-CD 3.25Å; K208-E231 IonicContact NZ-OE1 3.94Å; K208-E231 PolarHBondContact NZ-OE1 3.36Å; K208-E231 IonicContact NZ-OE2 3.89Å; K208-E231 PolarHBondContact NZ-OE2 2.89Å; Q227-E231 WeakPolarHBondContact O-CB 3.49Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.46Å |
| 232 | K | 93.2 | Very high | 93.2 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -115.7 | -8.4 | -170.2 | -57.9 | -65.7 | -175.1 | -177.6 | 0 | 114.2 | Y204 C228 W234 | Y204-K232 HydrophobicContact CE1-CG 3.98Å; Y204-K232 VanDerWaalsContact OH-CE 3.32Å; Y204-K232 WeakPolarHBondContact OH-CE 3.47Å; C228-K232 WeakPolarHBondContact O-CA 3.21Å; C228-K232 WeakPolarHBondContact O-CB 3.38Å; C228-K232 PolarHBondContact O-N 2.9Å; K232-W234 HydrophobicContact CB-CD2 3.55Å; K232-W234 HydrophobicContact CB-CE3 4.04Å; K232-W234 HydrophobicContact CB-CG 3.89Å; K232-W234 HydrophobicContact CB-CH2 4.26Å; K232-W234 HydrophobicContact CB-CZ2 3.75Å; K232-W234 HydrophobicContact CB-CZ3 4.4Å; K232-W234 HydrophobicContact CD-CZ2 4.14Å; K232-W234 HydrophobicContact CG-CD2 4.21Å; K232-W234 HydrophobicContact CG-CE3 4.32Å; K232-W234 HydrophobicContact CG-CH2 3.85Å; K232-W234 HydrophobicContact CG-CZ2 3.67Å; K232-W234 HydrophobicContact CG-CZ3 4.18Å; K232-W234 PolarHBondContact O-N 3.47Å |
| 233 | G | 93.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | trans | 67.9 | 15.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H229 | H229-G233 WeakPolarHBondContact O-CA 3.46Å; H229-G233 PolarHBondContact O-N 3.18Å | ||
| 234 | W | 94.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 13% | 0.129 | 31% | 0.31 | C | S | . | . | trans | -69.2 | 146.2 | -177.1 | -63.4 | -23.3 | 0 | 0 | 0 | 112 | R201 Y204 F205 C228 H229 K232 I236 W238 L239 | R201-W234 HydrophobicContact CB-CH2 4.06Å; R201-W234 HydrophobicContact CB-CZ2 3.92Å; R201-W234 HydrophobicContact CB-CZ3 4.46Å; R201-W234 HydrophobicContact CG-CD2 4.39Å; R201-W234 HydrophobicContact CG-CH2 4.21Å; R201-W234 HydrophobicContact CG-CZ2 3.56Å; Y204-W234 AromaticContact CD1-CH2 3.35Å; Y204-W234 HydrophobicContact CD1-CH2 3.35Å; Y204-W234 AromaticContact CD1-CZ3 3.58Å; Y204-W234 HydrophobicContact CD1-CZ3 3.58Å; Y204-W234 HydrophobicContact CE1-CH2 4.14Å; Y204-W234 HydrophobicContact CE1-CZ3 4.28Å; Y204-W234 AromaticContact CG-CH2 3.76Å; Y204-W234 HydrophobicContact CG-CH2 3.76Å; Y204-W234 HydrophobicContact CG-CZ3 4.37Å; F205-W234 HydrophobicContact CB-CZ3 4.34Å; C228-W234 HydrophobicContact CB-CE3 4.04Å; C228-W234 HydrophobicContact CB-CZ3 4.27Å; H229-W234 PolarHBondContact ND1-O 2.94Å; K232-W234 HydrophobicContact CB-CD2 3.55Å; K232-W234 HydrophobicContact CB-CE3 4.04Å; K232-W234 HydrophobicContact CB-CG 3.89Å; K232-W234 HydrophobicContact CB-CH2 4.26Å; K232-W234 HydrophobicContact CB-CZ2 3.75Å; K232-W234 HydrophobicContact CB-CZ3 4.4Å; K232-W234 HydrophobicContact CD-CZ2 4.14Å; K232-W234 HydrophobicContact CG-CD2 4.21Å; K232-W234 HydrophobicContact CG-CE3 4.32Å; K232-W234 HydrophobicContact CG-CH2 3.85Å; K232-W234 HydrophobicContact CG-CZ2 3.67Å; K232-W234 HydrophobicContact CG-CZ3 4.18Å; K232-W234 PolarHBondContact O-N 3.47Å; W234-I236 PolarHBondContact O-N 3.03Å; W234-W238 HydrophobicContact CE3-CZ3 4.23Å; W234-L239 HydrophobicContact CB-CD1 4.22Å; W234-L239 HydrophobicContact CB-CG 4.35Å; W234-L239 HydrophobicContact CE3-CD2 4.07Å | ||
| 235 | G | 95.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | trans | -63.9 | 129.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C237 W238 L239 | G235-C237 PolarHBondContact O-N 3.25Å; G235-C237 VanDerWaalsContact O-N 3.17Å; G235-W238 WeakPolarHBondContact O-CB 3.47Å; G235-W238 PolarHBondContact O-N 2.84Å; G235-L239 PolarHBondContact O-N 3.46Å; G235-L239 VanDerWaalsContact O-N 3.13Å | ||
| 236 | I | 95.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.7 | -39.9 | 177.5 | -63 | -63.7 | 0 | 0 | 0 | 111.9 | I225 H229 W234 W238 L239 C240 R247 Y250 Y251 | I225-I236 HydrophobicContact CG2-CD1 3.86Å; H229-I236 HydrophobicContact CB-CD1 3.63Å; H229-I236 VanDerWaalsContact CG-CD1 3.46Å; W234-I236 PolarHBondContact O-N 3.03Å; I236-W238 VanDerWaalsContact C-N 3.33Å; I236-W238 PolarHBondContact O-N 3.18Å; I236-L239 PolarHBondContact O-N 2.85Å; I236-C240 WeakPolarHBondContact O-CB 3.25Å; I236-C240 PolarHBondContact O-N 3.44Å; I236-C240 PolarHBondContact O-SG 3.48Å; I236-R247 HydrophobicContact CG2-CG 4.34Å; I236-Y250 HydrophobicContact CD1-CD1 4.41Å; I236-Y250 HydrophobicContact CD1-CE1 3.67Å; I236-Y250 HydrophobicContact CG1-CE1 4.16Å; I236-Y250 HydrophobicContact CG2-CD1 3.52Å; I236-Y250 HydrophobicContact CG2-CE1 3.83Å; I236-Y250 HydrophobicContact CG2-CG 4.1Å; I236-Y251 HydrophobicContact CG2-CE2 4.19Å |
| 237 | C | 96 | Very high | 93.5 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 179.5 | -166.8 | 0 | 0 | 0 | 0 | 112.2 | G235 G241 | G235-C237 PolarHBondContact O-N 3.25Å; G235-C237 VanDerWaalsContact O-N 3.17Å; C237-G241 PolarHBondContact O-N 2.95Å; C237-G241 VanDerWaalsContact O-N 3.1Å |
| 238 | W | 95.1 | Very high | 93.7 | Very high | 55 Ų | 55 | 58 Ų | 58 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -48.8 | 178.2 | -178.8 | 87.4 | 0 | 0 | 0 | 110.6 | E198 R201 W234 G235 I236 C240 G241 Q242 | E198-W238 PolarHBondContact OE1-NE1 2.67Å; R201-W238 HydrophobicContact CB-CH2 3.56Å; R201-W238 HydrophobicContact CB-CZ2 4.03Å; R201-W238 HydrophobicContact CB-CZ3 4.25Å; W234-W238 HydrophobicContact CE3-CZ3 4.23Å; G235-W238 WeakPolarHBondContact O-CB 3.47Å; G235-W238 PolarHBondContact O-N 2.84Å; I236-W238 VanDerWaalsContact C-N 3.33Å; I236-W238 PolarHBondContact O-N 3.18Å; W238-C240 PolarHBondContact O-N 2.89Å; W238-G241 PolarHBondContact O-N 3.41Å; W238-G241 VanDerWaalsContact O-N 3.13Å; W238-Q242 HydrophobicContact CD2-CG 4.11Å; W238-Q242 VanDerWaalsContact CE2-NE2 3.32Å; W238-Q242 HydrophobicContact CE3-CG 4.08Å; W238-Q242 HydrophobicContact CH2-CG 3.88Å; W238-Q242 HydrophobicContact CZ2-CG 3.92Å; W238-Q242 HydrophobicContact CZ3-CG 3.96Å; W238-Q242 WeakPolarHBondContact O-CG 3.47Å; W238-Q242 PolarHBondContact O-N 3.3Å; W238-Q242 VanDerWaalsContact O-N 3.11Å |
| 239 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 179.4 | -71.6 | 168.5 | 0 | 0 | 0 | 112.8 | F205 I225 C228 H229 W234 G235 I236 G241 Q242 | F205-L239 HydrophobicContact CD1-CD2 4.13Å; F205-L239 HydrophobicContact CD2-CD2 3.72Å; F205-L239 HydrophobicContact CE1-CD2 4.16Å; F205-L239 HydrophobicContact CE2-CD2 3.77Å; F205-L239 HydrophobicContact CG-CD2 3.91Å; F205-L239 HydrophobicContact CZ-CB 4.47Å; F205-L239 HydrophobicContact CZ-CD2 4Å; I225-L239 HydrophobicContact CB-CB 4.46Å; I225-L239 HydrophobicContact CG1-CB 4.08Å; I225-L239 HydrophobicContact CG2-CB 3.95Å; I225-L239 HydrophobicContact CG2-CD1 4Å; C228-L239 HydrophobicContact CB-CD1 4.22Å; C228-L239 HydrophobicContact CB-CD2 4.05Å; H229-L239 HydrophobicContact CB-CD1 4.16Å; W234-L239 HydrophobicContact CB-CD1 4.22Å; W234-L239 HydrophobicContact CB-CG 4.35Å; W234-L239 HydrophobicContact CE3-CD2 4.07Å; G235-L239 PolarHBondContact O-N 3.46Å; G235-L239 VanDerWaalsContact O-N 3.13Å; I236-L239 PolarHBondContact O-N 2.85Å; L239-G241 VanDerWaalsContact C-N 3.27Å; L239-G241 PolarHBondContact O-N 3.43Å; L239-Q242 PolarHBondContact O-N 3.32Å |
| 240 | C | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 176.1 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | I236 W238 Q242 V243 G244 I245 | I236-C240 WeakPolarHBondContact O-CB 3.25Å; I236-C240 PolarHBondContact O-N 3.44Å; I236-C240 PolarHBondContact O-SG 3.48Å; W238-C240 PolarHBondContact O-N 2.89Å; C240-Q242 VanDerWaalsContact C-N 3.34Å; C240-Q242 PolarHBondContact O-N 2.89Å; C240-V243 PolarHBondContact O-N 3.3Å; C240-G244 PolarHBondContact O-N 3.1Å; C240-G244 VanDerWaalsContact O-N 3.13Å; C240-I245 CarbonylContact C-O 3.58Å; C240-I245 VanDerWaalsContact CB-O 3.28Å; C240-I245 WeakPolarHBondContact CB-O 3.45Å; C240-I245 PolarHBondContact O-N 3.37Å |
| 241 | G | 94.1 | Very high | 93.4 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C237 W238 L239 V243 G244 | C237-G241 PolarHBondContact O-N 2.95Å; C237-G241 VanDerWaalsContact O-N 3.1Å; W238-G241 PolarHBondContact O-N 3.41Å; W238-G241 VanDerWaalsContact O-N 3.13Å; L239-G241 VanDerWaalsContact C-N 3.27Å; L239-G241 PolarHBondContact O-N 3.43Å; G241-V243 VanDerWaalsContact C-N 3.3Å; G241-V243 PolarHBondContact O-N 3.48Å; G241-G244 PolarHBondContact O-N 3.04Å |
| 242 | Q | 91.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -28.8 | -179.8 | -60.2 | -47.5 | -43.8 | 0 | 0 | 113.7 | L202 F205 W238 L239 C240 | L202-Q242 HydrophobicContact CD1-CB 4.38Å; L202-Q242 HydrophobicContact CD1-CG 4.22Å; F205-Q242 HydrophobicContact CD1-CB 3.86Å; F205-Q242 HydrophobicContact CD1-CG 4.31Å; F205-Q242 HydrophobicContact CE1-CB 3.78Å; W238-Q242 HydrophobicContact CD2-CG 4.11Å; W238-Q242 VanDerWaalsContact CE2-NE2 3.32Å; W238-Q242 HydrophobicContact CE3-CG 4.08Å; W238-Q242 HydrophobicContact CH2-CG 3.88Å; W238-Q242 HydrophobicContact CZ2-CG 3.92Å; W238-Q242 HydrophobicContact CZ3-CG 3.96Å; W238-Q242 WeakPolarHBondContact O-CG 3.47Å; W238-Q242 PolarHBondContact O-N 3.3Å; W238-Q242 VanDerWaalsContact O-N 3.11Å; L239-Q242 PolarHBondContact O-N 3.32Å; C240-Q242 VanDerWaalsContact C-N 3.34Å; C240-Q242 PolarHBondContact O-N 2.89Å |
| 243 | V | 88.5 | Confident | 93.2 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.7 | 176.6 | -72.2 | 0 | 0 | 0 | 0 | 113.7 | F205 L209 I225 C240 G241 I245 | F205-V243 HydrophobicContact CE1-CG1 3.77Å; F205-V243 HydrophobicContact CZ-CG1 4.02Å; L209-V243 HydrophobicContact CD1-CG1 3.56Å; L209-V243 HydrophobicContact CD2-CG1 4.22Å; I225-V243 HydrophobicContact CD1-CG2 4.01Å; C240-V243 PolarHBondContact O-N 3.3Å; G241-V243 VanDerWaalsContact C-N 3.3Å; G241-V243 PolarHBondContact O-N 3.48Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 HydrophobicContact CB-CD1 4.5Å; V243-I245 HydrophobicContact CG2-CB 4.18Å; V243-I245 HydrophobicContact CG2-CD1 3.86Å; V243-I245 HydrophobicContact CG2-CG1 4Å; V243-I245 PolarHBondContact O-N 3.42Å |
| 244 | G | 90.3 | Very high | 93 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 73% | 0.732 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 26 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C240 G241 | C240-G244 PolarHBondContact O-N 3.1Å; C240-G244 VanDerWaalsContact O-N 3.13Å; G241-G244 PolarHBondContact O-N 3.04Å |
| 245 | I | 89.6 | Confident | 92.7 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | trans | -103.7 | 144.1 | 178.5 | -65.2 | 174.4 | 0 | 0 | 0 | 109.6 | T221 Y222 C240 V243 | T221-I245 HydrophobicContact CG2-CD1 4.23Å; T221-I245 VanDerWaalsContact OG1-CD1 3.25Å; T221-I245 WeakPolarHBondContact OG1-CD1 3.38Å; Y222-I245 HydrophobicContact CE1-CD1 4.18Å; Y222-I245 HydrophobicContact CE1-CG2 3.76Å; C240-I245 CarbonylContact C-O 3.58Å; C240-I245 VanDerWaalsContact CB-O 3.28Å; C240-I245 WeakPolarHBondContact CB-O 3.45Å; C240-I245 PolarHBondContact O-N 3.37Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 HydrophobicContact CB-CD1 4.5Å; V243-I245 HydrophobicContact CG2-CB 4.18Å; V243-I245 HydrophobicContact CG2-CD1 3.86Å; V243-I245 HydrophobicContact CG2-CG1 4Å; V243-I245 PolarHBondContact O-N 3.42Å | ||
| 246 | T | 93.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 65.2 Ų | 65.2 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | trans | -74.2 | 136.5 | 175 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | A248 S249 Y250 | T246-A248 HydrophobicContact CG2-CB 4.09Å; T246-A248 PolarHBondContact O-N 3.3Å; T246-S249 WeakPolarHBondContact O-CA 3.35Å; T246-S249 VanDerWaalsContact O-CB 3.27Å; T246-S249 WeakPolarHBondContact O-CB 3.41Å; T246-S249 PolarHBondContact O-N 3.13Å; T246-Y250 PolarHBondContact O-N 2.87Å | ||
| 247 | R | 94.9 | Very high | 91.7 | Very high | 139 Ų | 139 | 72.2 Ų | 72.2 | 53% | 0.525 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -47.5 | -39.1 | 173.9 | 178.2 | -180 | 169.7 | -150 | -8.9 | 113.1 | I236 S249 Y250 Y251 | I236-R247 HydrophobicContact CG2-CG 4.34Å; R247-S249 VanDerWaalsContact C-N 3.33Å; R247-S249 PolarHBondContact O-N 3.42Å; R247-Y250 PolarHBondContact O-N 3.03Å; R247-Y251 HydrophobicContact CG-CD2 3.97Å; R247-Y251 HydrophobicContact CG-CE2 3.6Å; R247-Y251 WeakPolarHBondContact O-CD2 3.43Å; R247-Y251 PolarHBondContact O-N 3.28Å |
| 248 | A | 94.8 | Very high | 90.9 | Very high | 56 Ų | 56 | 70.3 Ų | 70.3 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T246 Y250 Y251 Q252 | T246-A248 HydrophobicContact CG2-CB 4.09Å; T246-A248 PolarHBondContact O-N 3.3Å; A248-Y250 VanDerWaalsContact C-N 3.35Å; A248-Y250 PolarHBondContact O-N 3.15Å; A248-Y251 PolarHBondContact O-N 3.3Å; A248-Q252 WeakPolarHBondContact O-CG 3.15Å; A248-Q252 PolarHBondContact O-N 3.46Å |
| 249 | S | 91.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 25% | 0.245 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | Y222 T246 R247 Y251 Q252 W253 | Y222-S249 PolarHBondContact OH-OG 3.31Å; T246-S249 WeakPolarHBondContact O-CA 3.35Å; T246-S249 VanDerWaalsContact O-CB 3.27Å; T246-S249 WeakPolarHBondContact O-CB 3.41Å; T246-S249 PolarHBondContact O-N 3.13Å; R247-S249 VanDerWaalsContact C-N 3.33Å; R247-S249 PolarHBondContact O-N 3.42Å; S249-Y251 PolarHBondContact O-N 3.01Å; S249-Q252 PolarHBondContact O-N 3.23Å; S249-W253 WeakPolarHBondContact O-CB 3.11Å; S249-W253 PolarHBondContact O-N 3.13Å |
| 250 | Y | 92.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 171.8 | 170.7 | -94.8 | 0 | 0 | 0 | 112.5 | Y222 I225 Q226 I236 T246 R247 A248 W253 L254 | Y222-Y250 HydrophobicContact CD1-CD2 4.05Å; I225-Y250 HydrophobicContact CB-CD2 4.06Å; I225-Y250 HydrophobicContact CB-CE2 3.94Å; I225-Y250 HydrophobicContact CD1-CD2 4.28Å; I225-Y250 HydrophobicContact CG2-CD2 3.63Å; I225-Y250 HydrophobicContact CG2-CE2 3.47Å; I225-Y250 VanDerWaalsContact CG2-CE2 3.47Å; I225-Y250 HydrophobicContact CG2-CG 4.34Å; Q226-Y250 HydrophobicContact CB-CE2 4.33Å; I236-Y250 HydrophobicContact CD1-CD1 4.41Å; I236-Y250 HydrophobicContact CD1-CE1 3.67Å; I236-Y250 HydrophobicContact CG1-CE1 4.16Å; I236-Y250 HydrophobicContact CG2-CD1 3.52Å; I236-Y250 HydrophobicContact CG2-CE1 3.83Å; I236-Y250 HydrophobicContact CG2-CG 4.1Å; T246-Y250 PolarHBondContact O-N 2.87Å; R247-Y250 PolarHBondContact O-N 3.03Å; A248-Y250 VanDerWaalsContact C-N 3.35Å; A248-Y250 PolarHBondContact O-N 3.15Å; Y250-W253 HydrophobicContact CE2-CE3 4.46Å; Y250-W253 HydrophobicContact CE2-CZ3 4.41Å; Y250-W253 WeakPolarHBondContact O-CB 3.42Å; Y250-W253 PolarHBondContact O-N 3.23Å; Y250-L254 PolarHBondContact O-N 3.45Å |
| 251 | Y | 94.5 | Very high | 89.1 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.5 | -27.2 | 178.9 | -71.9 | -69.7 | 0 | 0 | 0 | 113.7 | I236 R247 A248 S249 L254 K255 | I236-Y251 HydrophobicContact CG2-CE2 4.19Å; R247-Y251 HydrophobicContact CG-CD2 3.97Å; R247-Y251 HydrophobicContact CG-CE2 3.6Å; R247-Y251 WeakPolarHBondContact O-CD2 3.43Å; R247-Y251 PolarHBondContact O-N 3.28Å; A248-Y251 PolarHBondContact O-N 3.3Å; S249-Y251 PolarHBondContact O-N 3.01Å; Y251-L254 HydrophobicContact CD1-CD2 4.14Å; Y251-K255 WeakPolarHBondContact O-CG 3.31Å; Y251-K255 PolarHBondContact O-N 3.22Å |
| 252 | Q | 92.3 | Very high | 88.5 | Confident | 137 Ų | 137 | 81.1 Ų | 81.1 | 64% | 0.64 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 169.2 | -75 | 173.5 | -18.5 | 0 | 0 | 110.5 | A248 S249 L254 K255 R256 | A248-Q252 WeakPolarHBondContact O-CG 3.15Å; A248-Q252 PolarHBondContact O-N 3.46Å; S249-Q252 PolarHBondContact O-N 3.23Å; Q252-L254 VanDerWaalsContact C-N 3.3Å; Q252-L254 PolarHBondContact O-N 3.45Å; Q252-K255 CarbonylContact O-C 3.47Å; Q252-K255 PolarHBondContact O-N 2.91Å; Q252-K255 VanDerWaalsContact O-N 3.13Å; Q252-R256 PolarHBondContact O-N 2.97Å; Q252-R256 VanDerWaalsContact O-N 3.1Å |
| 253 | W | 89.5 | Confident | 88.1 | Confident | 35 Ų | 35 | 83 Ų | 83 | 13% | 0.133 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 173.9 | 175.1 | 89.3 | 0 | 0 | 0 | 111.8 | Y222 E223 S249 Y250 K255 R256 | Y222-W253 VanDerWaalsContact CB-CE2 3.41Å; Y222-W253 VanDerWaalsContact CB-CE3 3.45Å; Y222-W253 HydrophobicContact CD1-CB 3.99Å; Y222-W253 HydrophobicContact CD1-CD2 4.35Å; Y222-W253 HydrophobicContact CD1-CG 4.08Å; Y222-W253 HydrophobicContact CD2-CB 4.06Å; Y222-W253 AromaticContact CD2-CD1 3.34Å; Y222-W253 AromaticContact CD2-CD2 3.98Å; Y222-W253 HydrophobicContact CD2-CD2 3.98Å; Y222-W253 AromaticContact CD2-CG 3.53Å; Y222-W253 HydrophobicContact CD2-CG 3.53Å; Y222-W253 AromaticContact CD2-NE1 3.67Å; Y222-W253 HydrophobicContact CE1-CB 4.15Å; Y222-W253 HydrophobicContact CE2-CB 4.25Å; Y222-W253 AromaticContact CE2-CD1 3.88Å; Y222-W253 HydrophobicContact CE2-CG 4.12Å; Y222-W253 HydrophobicContact CG-CB 3.94Å; Y222-W253 AromaticContact CG-CD1 3.82Å; Y222-W253 AromaticContact CG-CD2 3.63Å; Y222-W253 HydrophobicContact CG-CD2 3.63Å; Y222-W253 AromaticContact CG-CE2 4Å; Y222-W253 HydrophobicContact CG-CE3 4.13Å; Y222-W253 AromaticContact CG-CG 3.52Å; Y222-W253 HydrophobicContact CG-CG 3.52Å; E223-W253 HydrophobicContact CG-CH2 4.04Å; E223-W253 HydrophobicContact CG-CZ2 3.92Å; S249-W253 WeakPolarHBondContact O-CB 3.11Å; S249-W253 PolarHBondContact O-N 3.13Å; Y250-W253 HydrophobicContact CE2-CE3 4.46Å; Y250-W253 HydrophobicContact CE2-CZ3 4.41Å; Y250-W253 WeakPolarHBondContact O-CB 3.42Å; Y250-W253 PolarHBondContact O-N 3.23Å; W253-K255 PolarHBondContact O-N 3.06Å; W253-R256 VanDerWaalsContact NE1-CZ 3.34Å; W253-R256 VanDerWaalsContact NE1-NE 3.15Å; W253-R256 WeakPolarHBondContact O-CB 3.27Å; W253-R256 WeakPolarHBondContact O-CD 3.39Å; W253-R256 WeakPolarHBondContact O-CG 3.49Å; W253-R256 PolarHBondContact O-N 2.76Å; W253-R256 VanDerWaalsContact O-N 3.15Å |
| 254 | L | 89.9 | Confident | 87.9 | Confident | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -28.1 | 177.8 | -168.5 | 68.9 | 0 | 0 | 0 | 113 | Y250 Y251 Q252 | Y250-L254 PolarHBondContact O-N 3.45Å; Y251-L254 HydrophobicContact CD1-CD2 4.14Å; Q252-L254 VanDerWaalsContact C-N 3.3Å; Q252-L254 PolarHBondContact O-N 3.45Å |
| 255 | K | 89.1 | Confident | 87.6 | Confident | 176 Ų | 176 | 86.6 Ų | 86.6 | 77% | 0.765 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.2 | -180 | -66.8 | 179.7 | -179.8 | -175.3 | 0 | 113.3 | Y251 Q252 W253 | Y251-K255 WeakPolarHBondContact O-CG 3.31Å; Y251-K255 PolarHBondContact O-N 3.22Å; Q252-K255 CarbonylContact O-C 3.47Å; Q252-K255 PolarHBondContact O-N 2.91Å; Q252-K255 VanDerWaalsContact O-N 3.13Å; W253-K255 PolarHBondContact O-N 3.06Å |
| 256 | R | 85.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 33% | 0.332 | 45% | 0.447 | S | S | . | . | trans | -66.8 | 141.2 | -175.6 | 78.4 | -170.1 | 170 | 126.4 | 0.3 | 110.3 | Q252 W253 V258 E262 | Q252-R256 PolarHBondContact O-N 2.97Å; Q252-R256 VanDerWaalsContact O-N 3.1Å; W253-R256 VanDerWaalsContact NE1-CZ 3.34Å; W253-R256 VanDerWaalsContact NE1-NE 3.15Å; W253-R256 WeakPolarHBondContact O-CB 3.27Å; W253-R256 WeakPolarHBondContact O-CD 3.39Å; W253-R256 WeakPolarHBondContact O-CG 3.49Å; W253-R256 PolarHBondContact O-N 2.76Å; W253-R256 VanDerWaalsContact O-N 3.15Å; R256-V258 PolarHBondContact O-N 3.47Å; R256-V258 VanDerWaalsContact O-N 3.17Å; R256-E262 IonicContact CZ-OE1 3.37Å; R256-E262 IonicContact CZ-OE2 2.7Å; R256-E262 IonicContact NH1-OE1 2.66Å; R256-E262 PolarHBondContact NH1-OE1 3.16Å; R256-E262 VanDerWaalsContact NH1-OE1 3.15Å; R256-E262 IonicContact NH1-OE2 3.53Å; R256-E262 PolarHBondContact NH1-OE2 3.15Å; R256-E262 VanDerWaalsContact NH1-OE2 3.16Å; R256-E262 IonicContact NH2-OE1 3.15Å; R256-E262 PolarHBondContact NH2-OE1 3.17Å; R256-E262 IonicContact NH2-OE2 2.74Å | ||
| 257 | D | 83.3 | Confident | 86.8 | Confident | 158 Ų | 158 | 89.3 Ų | 89.3 | 85% | 0.845 | 44% | 0.441 | S | S | * | . | trans | -71.4 | 109.5 | 167.3 | -72 | -44.3 | 0 | 0 | 0 | 108.7 | P259 | D257-P259 VanDerWaalsContact O-CD 3.27Å; D257-P259 WeakPolarHBondContact O-CD 3.27Å | ||
| 258 | V | 79 | Confident | 86.5 | Confident | 46 Ų | 46 | 86 Ų | 86 | 28% | 0.279 | 43% | 0.433 | S | S | . | . | trans | -66.8 | 117 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | R256 E262 K263 | R256-V258 PolarHBondContact O-N 3.47Å; R256-V258 VanDerWaalsContact O-N 3.17Å; V258-E262 HydrophobicContact CG1-CB 3.74Å; V258-E262 HydrophobicContact CG1-CG 3.82Å; V258-K263 HydrophobicContact CB-CG 4.29Å; V258-K263 HydrophobicContact CG1-CG 3.77Å; V258-K263 WeakPolarHBondContact O-CE 3.36Å | ||
| 259 | P | 82.3 | Confident | 86 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 47% | 0.468 | 43% | 0.43 | S | S | . | . | trans | -56.7 | 148.3 | -179.4 | -24.3 | 34.4 | 0 | 0 | 0 | 111.3 | D257 A261 E262 K263 | D257-P259 VanDerWaalsContact O-CD 3.27Å; D257-P259 WeakPolarHBondContact O-CD 3.27Å; P259-A261 PolarHBondContact O-N 3.21Å; P259-A261 VanDerWaalsContact O-N 3.15Å; P259-E262 WeakPolarHBondContact CD-OE2 3.47Å; P259-E262 PolarHBondContact O-N 3.37Å; P259-K263 PolarHBondContact O-N 2.87Å; P259-K263 VanDerWaalsContact O-N 3.15Å | ||
| 260 | K | 83.3 | Confident | 85.8 | Confident | 158 Ų | 158 | 90 Ų | 90 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51.2 | -41.8 | 178 | -165.7 | -167.9 | -179.4 | -135.2 | 0 | 112 | E262 K263 E264 | K260-E262 PolarHBondContact O-N 3.5Å; K260-K263 PolarHBondContact O-N 3.47Å; K260-E264 WeakPolarHBondContact CD-OE1 3.38Å; K260-E264 WeakPolarHBondContact CE-OE1 3.36Å; K260-E264 IonicContact NZ-OE1 2.77Å; K260-E264 PolarHBondContact NZ-OE1 3.13Å; K260-E264 WeakPolarHBondContact O-CG 3.4Å; K260-E264 PolarHBondContact O-N 3.44Å |
| 261 | A | 81.9 | Confident | 85.6 | Confident | 55 Ų | 55 | 90.5 Ų | 90.5 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P259 E264 N265 | P259-A261 PolarHBondContact O-N 3.21Å; P259-A261 VanDerWaalsContact O-N 3.15Å; A261-E264 PolarHBondContact O-N 3Å; A261-N265 WeakPolarHBondContact O-CB 3.45Å; A261-N265 PolarHBondContact O-N 3.3Å; A261-N265 PolarHBondContact O-ND2 3.31Å; A261-N265 PolarHBondContact O-OD1 2.94Å |
| 262 | E | 81.1 | Confident | 85.2 | Confident | 50 Ų | 50 | 89.7 Ų | 89.7 | 23% | 0.234 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 177.1 | -171.5 | 172.4 | 178 | 0 | 0 | 110.3 | R256 V258 P259 K260 N265 E266 | R256-E262 IonicContact CZ-OE1 3.37Å; R256-E262 IonicContact CZ-OE2 2.7Å; R256-E262 IonicContact NH1-OE1 2.66Å; R256-E262 PolarHBondContact NH1-OE1 3.16Å; R256-E262 VanDerWaalsContact NH1-OE1 3.15Å; R256-E262 IonicContact NH1-OE2 3.53Å; R256-E262 PolarHBondContact NH1-OE2 3.15Å; R256-E262 VanDerWaalsContact NH1-OE2 3.16Å; R256-E262 IonicContact NH2-OE1 3.15Å; R256-E262 PolarHBondContact NH2-OE1 3.17Å; R256-E262 IonicContact NH2-OE2 2.74Å; V258-E262 HydrophobicContact CG1-CB 3.74Å; V258-E262 HydrophobicContact CG1-CG 3.82Å; P259-E262 WeakPolarHBondContact CD-OE2 3.47Å; P259-E262 PolarHBondContact O-N 3.37Å; K260-E262 PolarHBondContact O-N 3.5Å; E262-N265 PolarHBondContact O-N 3.21Å; E262-E266 WeakPolarHBondContact O-CG 3.47Å; E262-E266 PolarHBondContact O-N 3.45Å |
| 263 | K | 82.6 | Confident | 85 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 172.2 | -61.9 | -177.9 | -178.2 | 176.5 | 0 | 112.4 | V258 P259 K260 N265 E266 I267 | V258-K263 HydrophobicContact CB-CG 4.29Å; V258-K263 HydrophobicContact CG1-CG 3.77Å; V258-K263 WeakPolarHBondContact O-CE 3.36Å; P259-K263 PolarHBondContact O-N 2.87Å; P259-K263 VanDerWaalsContact O-N 3.15Å; K260-K263 PolarHBondContact O-N 3.47Å; K263-N265 VanDerWaalsContact C-N 3.3Å; K263-N265 PolarHBondContact O-N 3.15Å; K263-E266 PolarHBondContact O-N 3.48Å; K263-I267 VanDerWaalsContact O-CG1 3.32Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.18Å |
| 264 | E | 84.3 | Confident | 84.9 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 175.6 | -74.5 | 170.6 | -178 | 0 | 0 | 110.3 | K260 A261 I267 I268 | K260-E264 WeakPolarHBondContact CD-OE1 3.38Å; K260-E264 WeakPolarHBondContact CE-OE1 3.36Å; K260-E264 IonicContact NZ-OE1 2.77Å; K260-E264 PolarHBondContact NZ-OE1 3.13Å; K260-E264 WeakPolarHBondContact O-CG 3.4Å; K260-E264 PolarHBondContact O-N 3.44Å; A261-E264 PolarHBondContact O-N 3Å; E264-I267 PolarHBondContact O-N 2.87Å; E264-I268 WeakPolarHBondContact O-CB 3.44Å; E264-I268 WeakPolarHBondContact O-CD1 3.35Å; E264-I268 WeakPolarHBondContact O-CG1 3.11Å; E264-I268 PolarHBondContact O-N 3.24Å |
| 265 | N | 84 | Confident | 84.9 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 175.8 | -70.2 | -20.3 | 0 | 0 | 0 | 113.2 | A261 E262 K263 I268 A269 | A261-N265 WeakPolarHBondContact O-CB 3.45Å; A261-N265 PolarHBondContact O-N 3.3Å; A261-N265 PolarHBondContact O-ND2 3.31Å; A261-N265 PolarHBondContact O-OD1 2.94Å; E262-N265 PolarHBondContact O-N 3.21Å; K263-N265 VanDerWaalsContact C-N 3.3Å; K263-N265 PolarHBondContact O-N 3.15Å; N265-I268 PolarHBondContact O-N 3.3Å; N265-A269 WeakPolarHBondContact O-CB 3.47Å; N265-A269 PolarHBondContact O-N 2.93Å |
| 266 | E | 81.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 82.2 Ų | 82.2 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.9 | -76.2 | 175.8 | 177.1 | 0 | 0 | 111.6 | E262 K263 A269 Q270 | E262-E266 WeakPolarHBondContact O-CG 3.47Å; E262-E266 PolarHBondContact O-N 3.45Å; K263-E266 PolarHBondContact O-N 3.48Å; E266-A269 PolarHBondContact O-N 3.23Å; E266-Q270 WeakPolarHBondContact O-CG 3.32Å; E266-Q270 PolarHBondContact O-N 2.88Å |
| 267 | I | 86.3 | Confident | 85 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 48% | 0.482 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 176.3 | -67.2 | 165.1 | 0 | 0 | 0 | 110.2 | K263 E264 A269 Q270 L271 | K263-I267 VanDerWaalsContact O-CG1 3.32Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.18Å; E264-I267 PolarHBondContact O-N 2.87Å; I267-A269 VanDerWaalsContact C-N 3.29Å; I267-A269 PolarHBondContact O-N 2.93Å; I267-Q270 PolarHBondContact O-N 3.29Å; I267-L271 HydrophobicContact CG2-CD1 3.89Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 3.21Å; I267-L271 PolarHBondContact O-N 3.48Å |
| 268 | I | 86.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 84.6 Ų | 84.6 | 35% | 0.354 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 177.2 | -69.7 | 164.5 | 0 | 0 | 0 | 110.4 | E264 N265 Q270 L271 I272 I292 | E264-I268 WeakPolarHBondContact O-CB 3.44Å; E264-I268 WeakPolarHBondContact O-CD1 3.35Å; E264-I268 WeakPolarHBondContact O-CG1 3.11Å; E264-I268 PolarHBondContact O-N 3.24Å; N265-I268 PolarHBondContact O-N 3.3Å; I268-Q270 PolarHBondContact O-N 3.47Å; I268-L271 PolarHBondContact O-N 2.92Å; I268-I272 HydrophobicContact CG2-CD1 3.74Å; I268-I272 HydrophobicContact CG2-CG1 4.3Å; I268-I272 WeakPolarHBondContact O-CB 3.21Å; I268-I272 WeakPolarHBondContact O-CG1 3.45Å; I268-I272 PolarHBondContact O-N 3.15Å; I268-I292 HydrophobicContact CG2-CD1 4.47Å |
| 269 | A | 85.3 | Confident | 85.8 | Confident | 50 Ų | 50 | 85 Ų | 85 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N265 E266 I267 I272 Q273 | N265-A269 WeakPolarHBondContact O-CB 3.47Å; N265-A269 PolarHBondContact O-N 2.93Å; E266-A269 PolarHBondContact O-N 3.23Å; I267-A269 VanDerWaalsContact C-N 3.29Å; I267-A269 PolarHBondContact O-N 2.93Å; A269-I272 PolarHBondContact O-N 3.3Å; A269-Q273 WeakPolarHBondContact O-CG 3.36Å; A269-Q273 PolarHBondContact O-N 3.44Å |
| 270 | Q | 86.9 | Confident | 86.1 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 174.9 | -71.3 | 174.1 | 9.5 | 0 | 0 | 111.7 | E266 I267 I268 I272 Q273 E274 | E266-Q270 WeakPolarHBondContact O-CG 3.32Å; E266-Q270 PolarHBondContact O-N 2.88Å; I267-Q270 PolarHBondContact O-N 3.29Å; I268-Q270 PolarHBondContact O-N 3.47Å; Q270-I272 VanDerWaalsContact C-N 3.31Å; Q270-I272 PolarHBondContact O-N 2.91Å; Q270-Q273 PolarHBondContact O-N 3.36Å; Q270-E274 PolarHBondContact O-N 3.46Å |
| 271 | L | 88.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 87.2 Ų | 87.2 | 9% | 0.094 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.9 | -72.1 | 170.7 | 0 | 0 | 0 | 112.1 | I267 I268 E274 Y275 I292 N296 | I267-L271 HydrophobicContact CG2-CD1 3.89Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 3.21Å; I267-L271 PolarHBondContact O-N 3.48Å; I268-L271 PolarHBondContact O-N 2.92Å; L271-E274 PolarHBondContact O-N 3.38Å; L271-Y275 HydrophobicContact CB-CD2 4.42Å; L271-Y275 HydrophobicContact CB-CE2 4.32Å; L271-Y275 HydrophobicContact CD2-CE2 4.37Å; L271-Y275 WeakPolarHBondContact O-CB 3.36Å; L271-Y275 WeakPolarHBondContact O-CD2 3.37Å; L271-Y275 PolarHBondContact O-N 2.85Å; L271-I292 HydrophobicContact CB-CD1 4.28Å; L271-I292 HydrophobicContact CB-CG1 4.13Å; L271-I292 HydrophobicContact CD1-CG2 4.08Å; L271-N296 HydrophobicContact CD1-CB 4.37Å; L271-N296 WeakPolarHBondContact CD1-ND2 3.34Å |
| 272 | I | 86.7 | Confident | 86.6 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 173.1 | -72.4 | 167.1 | 0 | 0 | 0 | 109.6 | I268 A269 Q270 Y275 D276 M288 I292 | I268-I272 HydrophobicContact CG2-CD1 3.74Å; I268-I272 HydrophobicContact CG2-CG1 4.3Å; I268-I272 WeakPolarHBondContact O-CB 3.21Å; I268-I272 WeakPolarHBondContact O-CG1 3.45Å; I268-I272 PolarHBondContact O-N 3.15Å; A269-I272 PolarHBondContact O-N 3.3Å; Q270-I272 VanDerWaalsContact C-N 3.31Å; Q270-I272 PolarHBondContact O-N 2.91Å; I272-Y275 PolarHBondContact O-N 2.89Å; I272-D276 WeakPolarHBondContact O-CB 3.13Å; I272-D276 PolarHBondContact O-N 3.33Å; I272-M288 HydrophobicContact CG2-CE 4.5Å; I272-M288 HydrophobicContact CG2-SD 4.04Å; I272-I292 HydrophobicContact CG1-CD1 3.64Å |
| 273 | Q | 86.3 | Confident | 86.8 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 178.2 | -73.7 | -178.8 | -20.8 | 0 | 0 | 112 | A269 Q270 Y275 D276 E277 | A269-Q273 WeakPolarHBondContact O-CG 3.36Å; A269-Q273 PolarHBondContact O-N 3.44Å; Q270-Q273 PolarHBondContact O-N 3.36Å; Q273-Y275 PolarHBondContact O-N 3.02Å; Q273-D276 PolarHBondContact O-N 3.07Å; Q273-E277 WeakPolarHBondContact O-CB 3.37Å; Q273-E277 WeakPolarHBondContact O-CG 3.12Å; Q273-E277 PolarHBondContact O-N 2.9Å |
| 274 | E | 88.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 179.4 | -172.6 | -167.6 | 150.6 | 0 | 0 | 111.8 | Q270 L271 R278 | Q270-E274 PolarHBondContact O-N 3.46Å; L271-E274 PolarHBondContact O-N 3.38Å; E274-R278 WeakPolarHBondContact O-CB 3.22Å; E274-R278 PolarHBondContact O-N 2.85Å |
| 275 | Y | 88.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 90.7 Ų | 90.7 | 4% | 0.043 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 179.1 | -71.6 | -45.1 | 0 | 0 | 0 | 112.3 | L271 I272 Q273 F279 W291 I292 L295 | L271-Y275 HydrophobicContact CB-CD2 4.42Å; L271-Y275 HydrophobicContact CB-CE2 4.32Å; L271-Y275 HydrophobicContact CD2-CE2 4.37Å; L271-Y275 WeakPolarHBondContact O-CB 3.36Å; L271-Y275 WeakPolarHBondContact O-CD2 3.37Å; L271-Y275 PolarHBondContact O-N 2.85Å; I272-Y275 PolarHBondContact O-N 2.89Å; Q273-Y275 PolarHBondContact O-N 3.02Å; Y275-F279 HydrophobicContact CD1-CD2 4.47Å; Y275-F279 HydrophobicContact CD1-CE2 4.03Å; Y275-F279 WeakPolarHBondContact O-CB 3.31Å; Y275-F279 VanDerWaalsContact O-CD2 3.25Å; Y275-F279 WeakPolarHBondContact O-CD2 3.41Å; Y275-F279 PolarHBondContact O-N 3.47Å; Y275-W291 HydrophobicContact CE1-CE3 4.45Å; Y275-I292 HydrophobicContact CD2-CG1 3.84Å; Y275-I292 HydrophobicContact CE2-CG1 3.7Å; Y275-L295 HydrophobicContact CE1-CD1 4.33Å; Y275-L295 WeakPolarHBondContact OH-CD1 3.1Å |
| 276 | D | 88.9 | Confident | 87.3 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 175.7 | -168.5 | 54.8 | 0 | 0 | 0 | 111 | I272 Q273 H280 H281 M288 | I272-D276 WeakPolarHBondContact O-CB 3.13Å; I272-D276 PolarHBondContact O-N 3.33Å; Q273-D276 PolarHBondContact O-N 3.07Å; D276-H280 PolarHBondContact O-N 2.91Å; D276-H280 VanDerWaalsContact O-N 3.12Å; D276-H281 PolarHBondContact O-N 3Å; D276-H281 WeakPolarHBondContact OD1-CA 3.38Å; D276-H281 IonicContact OD1-CG 3.73Å; D276-H281 IonicContact OD1-ND1 2.8Å; D276-H281 PolarHBondContact OD1-ND1 3.04Å; D276-H281 IonicContact OD2-CE1 3.65Å; D276-H281 PolarHBondContact OD2-CE1 2.83Å; D276-H281 VanDerWaalsContact OD2-CE1 3.31Å; D276-H281 IonicContact OD2-CG 3.64Å; D276-H281 IonicContact OD2-ND1 3.88Å; D276-H281 PolarHBondContact OD2-ND1 3.18Å; D276-M288 HydrophobicContact CB-CE 3.66Å; D276-M288 WeakPolarHBondContact OD1-CE 3.44Å |
| 277 | E | 88.6 | Confident | 87.6 | Confident | 137 Ų | 137 | 97.4 Ų | 97.4 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.1 | -47.8 | 176.7 | -72.3 | 178.8 | -178 | 0 | 0 | 112.4 | Q273 F279 H280 | Q273-E277 WeakPolarHBondContact O-CB 3.37Å; Q273-E277 WeakPolarHBondContact O-CG 3.12Å; Q273-E277 PolarHBondContact O-N 2.9Å; E277-F279 PolarHBondContact O-N 2.69Å; E277-H280 PolarHBondContact O-N 3.36Å; E277-H280 VanDerWaalsContact O-N 3.13Å |
| 278 | R | 90.2 | Very high | 87.7 | Confident | 160 Ų | 160 | 94 Ų | 94 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60 | -32.8 | -178.5 | 179.5 | 175 | 178.6 | 174 | 0.6 | 113 | E274 | E274-R278 WeakPolarHBondContact O-CB 3.22Å; E274-R278 PolarHBondContact O-N 2.85Å |
| 279 | F | 88.2 | Confident | 87.9 | Confident | 54 Ų | 54 | 92.7 Ų | 92.7 | 24% | 0.237 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 19.7 | -179.5 | -65.4 | -76.3 | 0 | 0 | 0 | 112.7 | Y275 E277 H281 I282 L283 W291 | Y275-F279 HydrophobicContact CD1-CD2 4.47Å; Y275-F279 HydrophobicContact CD1-CE2 4.03Å; Y275-F279 WeakPolarHBondContact O-CB 3.31Å; Y275-F279 VanDerWaalsContact O-CD2 3.25Å; Y275-F279 WeakPolarHBondContact O-CD2 3.41Å; Y275-F279 PolarHBondContact O-N 3.47Å; E277-F279 PolarHBondContact O-N 2.69Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 3.21Å; F279-I282 VanDerWaalsContact O-CB 3.22Å; F279-I282 WeakPolarHBondContact O-CB 3.25Å; F279-I282 VanDerWaalsContact O-CD1 3.31Å; F279-I282 WeakPolarHBondContact O-CD1 3.44Å; F279-I282 WeakPolarHBondContact O-CG1 3.01Å; F279-I282 PolarHBondContact O-N 3.12Å; F279-L283 HydrophobicContact CB-CD1 3.94Å; F279-L283 HydrophobicContact CB-CG 3.79Å; F279-L283 HydrophobicContact CD2-CD1 3.36Å; F279-L283 HydrophobicContact CD2-CG 4.13Å; F279-L283 HydrophobicContact CE2-CD1 4.12Å; F279-L283 HydrophobicContact CG-CD1 3.79Å; F279-L283 HydrophobicContact CG-CG 4.03Å; F279-W291 HydrophobicContact CD2-CZ3 4.44Å; F279-W291 AromaticContact CE1-CH2 3.95Å; F279-W291 HydrophobicContact CE1-CH2 3.95Å; F279-W291 HydrophobicContact CE1-CZ3 4.1Å; F279-W291 HydrophobicContact CE2-CE3 4.01Å; F279-W291 HydrophobicContact CE2-CH2 4.05Å; F279-W291 AromaticContact CE2-CZ3 3.39Å; F279-W291 HydrophobicContact CE2-CZ3 3.39Å; F279-W291 HydrophobicContact CZ-CE3 4.24Å; F279-W291 AromaticContact CZ-CH2 3.51Å; F279-W291 HydrophobicContact CZ-CH2 3.51Å; F279-W291 AromaticContact CZ-CZ3 3.2Å; F279-W291 HydrophobicContact CZ-CZ3 3.2Å |
| 280 | H | 88.4 | Confident | 88 | Confident | 146 Ų | 146 | 93.8 Ų | 93.8 | 68% | 0.676 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44 | 174.9 | -56 | -56.4 | 0 | 0 | 0 | 113.6 | D276 E277 I282 | D276-H280 PolarHBondContact O-N 2.91Å; D276-H280 VanDerWaalsContact O-N 3.12Å; E277-H280 PolarHBondContact O-N 3.36Å; E277-H280 VanDerWaalsContact O-N 3.13Å; H280-I282 PolarHBondContact O-N 3.05Å |
| 281 | H | 87.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 92.2 Ų | 92.2 | 61% | 0.606 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 17.7 | 178.2 | -39.5 | -71 | 0 | 0 | 0 | 115.3 | D276 F279 | D276-H281 PolarHBondContact O-N 3Å; D276-H281 WeakPolarHBondContact OD1-CA 3.38Å; D276-H281 IonicContact OD1-CG 3.73Å; D276-H281 IonicContact OD1-ND1 2.8Å; D276-H281 PolarHBondContact OD1-ND1 3.04Å; D276-H281 IonicContact OD2-CE1 3.65Å; D276-H281 PolarHBondContact OD2-CE1 2.83Å; D276-H281 VanDerWaalsContact OD2-CE1 3.31Å; D276-H281 IonicContact OD2-CG 3.64Å; D276-H281 IonicContact OD2-ND1 3.88Å; D276-H281 PolarHBondContact OD2-ND1 3.18Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 3.21Å |
| 282 | I | 89.9 | Confident | 88 | Confident | 121 Ų | 121 | 92.1 Ų | 92.1 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | trans | -78.2 | -26.8 | -178.8 | -62.6 | 167.7 | 0 | 0 | 0 | 111.9 | F279 H280 G284 | F279-I282 VanDerWaalsContact O-CB 3.22Å; F279-I282 WeakPolarHBondContact O-CB 3.25Å; F279-I282 VanDerWaalsContact O-CD1 3.31Å; F279-I282 WeakPolarHBondContact O-CD1 3.44Å; F279-I282 WeakPolarHBondContact O-CG1 3.01Å; F279-I282 PolarHBondContact O-N 3.12Å; H280-I282 PolarHBondContact O-N 3.05Å; I282-G284 PolarHBondContact O-N 2.77Å | ||
| 283 | L | 84.9 | Confident | 88 | Confident | 15 Ų | 15 | 92.6 Ų | 92.6 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | trans | -77 | 117.4 | -174.2 | -64.9 | 178.2 | 0 | 0 | 0 | 111.3 | F279 R287 M288 | F279-L283 HydrophobicContact CB-CD1 3.94Å; F279-L283 HydrophobicContact CB-CG 3.79Å; F279-L283 HydrophobicContact CD2-CD1 3.36Å; F279-L283 HydrophobicContact CD2-CG 4.13Å; F279-L283 HydrophobicContact CE2-CD1 4.12Å; F279-L283 HydrophobicContact CG-CD1 3.79Å; F279-L283 HydrophobicContact CG-CG 4.03Å; L283-R287 HydrophobicContact CD2-CB 4.01Å; L283-M288 HydrophobicContact CB-CE 4.13Å; L283-M288 HydrophobicContact CB-CG 3.79Å; L283-M288 HydrophobicContact CD1-CG 4.45Å; L283-M288 WeakPolarHBondContact O-CE 3.26Å | ||
| 284 | G | 88.4 | Confident | 88 | Confident | 44 Ų | 44 | 96.7 Ų | 96.7 | 45% | 0.454 | 43% | 0.433 | S | S | . | . | trans | -75.3 | 161.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I282 R286 R287 M288 | I282-G284 PolarHBondContact O-N 2.77Å; G284-R286 VanDerWaalsContact C-N 3.29Å; G284-R286 PolarHBondContact O-N 3.28Å; G284-R286 VanDerWaalsContact O-N 3.09Å; G284-R287 PolarHBondContact O-N 2.89Å; G284-M288 PolarHBondContact O-N 3.05Å | ||
| 285 | Y | 85.7 | Confident | 87.7 | Confident | 192 Ų | 192 | 96.9 Ų | 96.9 | 75% | 0.753 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -40.8 | -51.5 | -179.2 | 172.6 | -103.3 | 0 | 0 | 0 | 113.6 | R287 M288 T289 | Y285-R287 PolarHBondContact O-N 3.19Å; Y285-M288 PolarHBondContact O-N 3.04Å; Y285-T289 PolarHBondContact O-N 3.36Å; Y285-T289 PolarHBondContact O-OG1 2.96Å |
| 286 | R | 87 | Confident | 87.1 | Confident | 201 Ų | 201 | 100 Ų | 100 | 76% | 0.758 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | -176.6 | -164.1 | 171.9 | -173 | 167.8 | 2.5 | 113 | G284 D290 | G284-R286 VanDerWaalsContact C-N 3.29Å; G284-R286 PolarHBondContact O-N 3.28Å; G284-R286 VanDerWaalsContact O-N 3.09Å; R286-D290 PolarHBondContact O-N 3Å |
| 287 | R | 88.4 | Confident | 85.8 | Confident | 146 Ų | 146 | 108.3 Ų | 108.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.6 | -42.1 | 176.2 | -70.8 | -168.4 | -160.3 | 168.9 | 7.4 | 111.2 | L283 G284 Y285 T289 D290 W291 | L283-R287 HydrophobicContact CD2-CB 4.01Å; G284-R287 PolarHBondContact O-N 2.89Å; Y285-R287 PolarHBondContact O-N 3.19Å; R287-T289 VanDerWaalsContact C-N 3.31Å; R287-T289 PolarHBondContact O-N 3.48Å; R287-D290 PolarHBondContact O-N 3.34Å; R287-W291 WeakPolarHBondContact O-CB 3.43Å; R287-W291 PolarHBondContact O-N 2.97Å |
| 288 | M | 87.8 | Confident | 85.6 | Confident | 22 Ų | 22 | 106.9 Ų | 106.9 | 11% | 0.108 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 175 | -75 | -177.7 | 172.8 | 0 | 0 | 110.7 | I272 D276 L283 G284 Y285 W291 I292 | I272-M288 HydrophobicContact CG2-CE 4.5Å; I272-M288 HydrophobicContact CG2-SD 4.04Å; D276-M288 HydrophobicContact CB-CE 3.66Å; D276-M288 WeakPolarHBondContact OD1-CE 3.44Å; L283-M288 HydrophobicContact CB-CE 4.13Å; L283-M288 HydrophobicContact CB-CG 3.79Å; L283-M288 HydrophobicContact CD1-CG 4.45Å; L283-M288 WeakPolarHBondContact O-CE 3.26Å; G284-M288 PolarHBondContact O-N 3.05Å; Y285-M288 PolarHBondContact O-N 3.04Å; M288-W291 PolarHBondContact O-N 3.38Å; M288-I292 WeakPolarHBondContact O-CB 3.45Å; M288-I292 VanDerWaalsContact O-CG1 3.26Å; M288-I292 WeakPolarHBondContact O-CG1 3.42Å; M288-I292 PolarHBondContact O-N 3.38Å |
| 289 | T | 89.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 104.1 Ų | 104.1 | 26% | 0.258 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 178 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | Y285 R287 W291 I292 N293 | Y285-T289 PolarHBondContact O-N 3.36Å; Y285-T289 PolarHBondContact O-OG1 2.96Å; R287-T289 VanDerWaalsContact C-N 3.31Å; R287-T289 PolarHBondContact O-N 3.48Å; T289-W291 VanDerWaalsContact C-N 3.26Å; T289-W291 PolarHBondContact O-N 3.2Å; T289-I292 PolarHBondContact O-N 3.06Å; T289-N293 WeakPolarHBondContact O-CB 3.35Å; T289-N293 VanDerWaalsContact O-CG 3.25Å; T289-N293 PolarHBondContact O-N 3.43Å; T289-N293 PolarHBondContact O-ND2 3.34Å |
| 290 | D | 88.7 | Confident | 85.2 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 178.7 | -76.4 | -14.3 | 0 | 0 | 0 | 111.9 | R286 R287 R294 | R286-D290 PolarHBondContact O-N 3Å; R287-D290 PolarHBondContact O-N 3.34Å; D290-R294 WeakPolarHBondContact O-CB 3.43Å; D290-R294 VanDerWaalsContact O-CG 3.22Å; D290-R294 WeakPolarHBondContact O-CG 3.34Å; D290-R294 PolarHBondContact O-N 3.22Å |
| 291 | W | 87.7 | Confident | 85 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 35% | 0.348 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.3 | -46.1 | -178.7 | -78.6 | 44.8 | 0 | 0 | 0 | 112.3 | Y275 F279 R287 M288 T289 N293 R294 L295 | Y275-W291 HydrophobicContact CE1-CE3 4.45Å; F279-W291 HydrophobicContact CD2-CZ3 4.44Å; F279-W291 AromaticContact CE1-CH2 3.95Å; F279-W291 HydrophobicContact CE1-CH2 3.95Å; F279-W291 HydrophobicContact CE1-CZ3 4.1Å; F279-W291 HydrophobicContact CE2-CE3 4.01Å; F279-W291 HydrophobicContact CE2-CH2 4.05Å; F279-W291 AromaticContact CE2-CZ3 3.39Å; F279-W291 HydrophobicContact CE2-CZ3 3.39Å; F279-W291 HydrophobicContact CZ-CE3 4.24Å; F279-W291 AromaticContact CZ-CH2 3.51Å; F279-W291 HydrophobicContact CZ-CH2 3.51Å; F279-W291 AromaticContact CZ-CZ3 3.2Å; F279-W291 HydrophobicContact CZ-CZ3 3.2Å; R287-W291 WeakPolarHBondContact O-CB 3.43Å; R287-W291 PolarHBondContact O-N 2.97Å; M288-W291 PolarHBondContact O-N 3.38Å; T289-W291 VanDerWaalsContact C-N 3.26Å; T289-W291 PolarHBondContact O-N 3.2Å; W291-N293 VanDerWaalsContact C-N 3.28Å; W291-N293 PolarHBondContact O-N 3.21Å; W291-R294 PolarHBondContact O-N 3.09Å; W291-L295 HydrophobicContact CB-CD1 4.43Å; W291-L295 HydrophobicContact CE3-CD1 3.95Å; W291-L295 WeakPolarHBondContact O-CB 3.39Å; W291-L295 WeakPolarHBondContact O-CG 3.22Å; W291-L295 PolarHBondContact O-N 2.88Å |
| 292 | I | 87.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 102.9 Ų | 102.9 | 8% | 0.082 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 175.8 | -71.5 | 167.8 | 0 | 0 | 0 | 109.9 | I268 L271 I272 Y275 M288 T289 N296 | I268-I292 HydrophobicContact CG2-CD1 4.47Å; L271-I292 HydrophobicContact CB-CD1 4.28Å; L271-I292 HydrophobicContact CB-CG1 4.13Å; L271-I292 HydrophobicContact CD1-CG2 4.08Å; I272-I292 HydrophobicContact CG1-CD1 3.64Å; Y275-I292 HydrophobicContact CD2-CG1 3.84Å; Y275-I292 HydrophobicContact CE2-CG1 3.7Å; M288-I292 WeakPolarHBondContact O-CB 3.45Å; M288-I292 VanDerWaalsContact O-CG1 3.26Å; M288-I292 WeakPolarHBondContact O-CG1 3.42Å; M288-I292 PolarHBondContact O-N 3.38Å; T289-I292 PolarHBondContact O-N 3.06Å; I292-N296 WeakPolarHBondContact O-CB 3.48Å; I292-N296 PolarHBondContact O-N 3.33Å; I292-N296 PolarHBondContact O-ND2 2.76Å |
| 293 | N | 86.9 | Confident | 84.6 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 179.5 | -68.8 | -24 | 0 | 0 | 0 | 112.7 | T289 W291 H297 | T289-N293 WeakPolarHBondContact O-CB 3.35Å; T289-N293 VanDerWaalsContact O-CG 3.25Å; T289-N293 PolarHBondContact O-N 3.43Å; T289-N293 PolarHBondContact O-ND2 3.34Å; W291-N293 VanDerWaalsContact C-N 3.28Å; W291-N293 PolarHBondContact O-N 3.21Å; N293-H297 PolarHBondContact O-CD2 2.94Å; N293-H297 PolarHBondContact O-NE2 3.04Å |
| 294 | R | 86.4 | Confident | 84.5 | Confident | 204 Ų | 204 | 107.9 Ų | 107.9 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -81 | -31.3 | -177.8 | -75 | 179 | -173.8 | -163.9 | 3.6 | 114.3 | D290 W291 | D290-R294 WeakPolarHBondContact O-CB 3.43Å; D290-R294 VanDerWaalsContact O-CG 3.22Å; D290-R294 WeakPolarHBondContact O-CG 3.34Å; D290-R294 PolarHBondContact O-N 3.22Å; W291-R294 PolarHBondContact O-N 3.09Å |
| 295 | L | 81.4 | Confident | 84.2 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -98.7 | -14.5 | -168.6 | -64.9 | 173.2 | 0 | 0 | 0 | 114.2 | Y275 W291 | Y275-L295 HydrophobicContact CE1-CD1 4.33Å; Y275-L295 WeakPolarHBondContact OH-CD1 3.1Å; W291-L295 HydrophobicContact CB-CD1 4.43Å; W291-L295 HydrophobicContact CE3-CD1 3.95Å; W291-L295 WeakPolarHBondContact O-CB 3.39Å; W291-L295 WeakPolarHBondContact O-CG 3.22Å; W291-L295 PolarHBondContact O-N 2.88Å |
| 296 | N | 76.1 | Confident | 84.1 | Confident | 78 Ų | 78 | 106.3 Ų | 106.3 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | trans | -117.5 | 21 | -174.3 | -56.9 | -74.4 | 0 | 0 | 0 | 113.8 | L271 I292 | L271-N296 HydrophobicContact CD1-CB 4.37Å; L271-N296 WeakPolarHBondContact CD1-ND2 3.34Å; I292-N296 WeakPolarHBondContact O-CB 3.48Å; I292-N296 PolarHBondContact O-N 3.33Å; I292-N296 PolarHBondContact O-ND2 2.76Å | ||
| 297 | H | 61.5 | Low | 83.8 | Confident | 219 Ų | 219 | 97.6 Ų | 97.6 | 100% | 1.014 | 45% | 0.445 | S | S | * | . | trans | -98 | 0 | 171.1 | -75.2 | -34.5 | 0 | 0 | 0 | 112.1 | N293 | N293-H297 PolarHBondContact O-CD2 2.94Å; N293-H297 PolarHBondContact O-NE2 3.04Å |
Retrieved 297 of 297 residues in 432.3 ms
(Link to these results)