| 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 | 85.5 | Confident | 80.9 | Confident | 183 Ų | 183 | 76.2 Ų | 76.2 | 90% | 0.901 | 42% | 0.422 | S | S | * | . | 0 | -68.6 | 0 | -173 | -179.8 | -89.7 | 0 | 0 | 110.5 | E3 S4 I5 | M1-E3 PolarHBondContact O-N 3.44Å; M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.32Å; M1-I5 HydrophobicContact CG-CD1 4.44Å; M1-I5 PolarHBondContact O-N 2.86Å | |||
| 2 | Y | 88 | Confident | 79.8 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 28% | 0.282 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -53.8 | -46.4 | -179.3 | -63.1 | -64.4 | 0 | 0 | 0 | 114.1 | S4 I5 I6 A17 L20 M21 | Y2-S4 VanDerWaalsContact C-N 3.26Å; Y2-S4 PolarHBondContact O-N 2.97Å; Y2-I5 WeakPolarHBondContact O-CA 3.38Å; Y2-I5 WeakPolarHBondContact O-CB 3.07Å; Y2-I5 PolarHBondContact O-N 3.42Å; Y2-I6 WeakPolarHBondContact O-CG1 3.48Å; Y2-I6 PolarHBondContact O-N 3.24Å; Y2-A17 HydrophobicContact CD1-CB 4.14Å; Y2-A17 WeakPolarHBondContact CD1-O 3.37Å; Y2-L20 HydrophobicContact CE1-CB 4.15Å; Y2-M21 HydrophobicContact CD1-CB 4.34Å; Y2-M21 HydrophobicContact CD2-CB 3.66Å; Y2-M21 HydrophobicContact CD2-CG 3.89Å; Y2-M21 HydrophobicContact CE2-CB 4.19Å; Y2-M21 HydrophobicContact CG-CB 3.75Å; Y2-M21 HydrophobicContact CG-CG 4.25Å |
| 3 | E | 87.2 | Confident | 80.1 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 23% | 0.234 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55 | -39.6 | 176.6 | -175.4 | 172.6 | 159.4 | 0 | 0 | 113.4 | M1 I5 I6 L7 Y58 L62 K65 | M1-E3 PolarHBondContact O-N 3.44Å; E3-I5 VanDerWaalsContact C-N 3.29Å; E3-I5 PolarHBondContact O-N 2.78Å; E3-I6 PolarHBondContact O-N 3.03Å; E3-L7 HydrophobicContact CG-CD1 3.81Å; E3-L7 HydrophobicContact CG-CG 4.35Å; E3-L7 WeakPolarHBondContact O-CB 3.42Å; E3-L7 WeakPolarHBondContact O-CG 3.21Å; E3-L7 PolarHBondContact O-N 3.21Å; E3-Y58 WeakPolarHBondContact OE2-CE2 3.47Å; E3-L62 HydrophobicContact CG-CD1 4.02Å; E3-K65 IonicContact OE1-NZ 2.63Å; E3-K65 PolarHBondContact OE1-NZ 3.19Å |
| 4 | S | 86.8 | Confident | 80.5 | Confident | 90 Ų | 90 | 73.6 Ų | 73.6 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.1 | -32.2 | 178.4 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | M1 Y2 G8 | M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.32Å; Y2-S4 VanDerWaalsContact C-N 3.26Å; Y2-S4 PolarHBondContact O-N 2.97Å; S4-G8 WeakPolarHBondContact O-CA 3.16Å; S4-G8 PolarHBondContact O-N 2.96Å |
| 5 | I | 87.5 | Confident | 80.7 | Confident | 58 Ų | 58 | 73 Ų | 73 | 30% | 0.297 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.9 | -47.5 | 174.7 | -60.3 | 169.9 | 0 | 0 | 0 | 109.4 | M1 Y2 E3 L7 G8 D9 L13 A17 | M1-I5 HydrophobicContact CG-CD1 4.44Å; M1-I5 PolarHBondContact O-N 2.86Å; Y2-I5 WeakPolarHBondContact O-CA 3.38Å; Y2-I5 WeakPolarHBondContact O-CB 3.07Å; Y2-I5 PolarHBondContact O-N 3.42Å; E3-I5 VanDerWaalsContact C-N 3.29Å; E3-I5 PolarHBondContact O-N 2.78Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.45Å; I5-G8 PolarHBondContact O-N 3.4Å; I5-D9 PolarHBondContact O-N 3.29Å; I5-L13 HydrophobicContact CG2-CB 3.76Å; I5-A17 HydrophobicContact CB-CB 4.08Å; I5-A17 HydrophobicContact CG2-CB 3.76Å |
| 6 | I | 86.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | -179.6 | -66.2 | 166.3 | 0 | 0 | 0 | 111.5 | Y2 E3 A17 E18 M21 L62 V66 M102 | Y2-I6 WeakPolarHBondContact O-CG1 3.48Å; Y2-I6 PolarHBondContact O-N 3.24Å; E3-I6 PolarHBondContact O-N 3.03Å; I6-A17 HydrophobicContact CG1-CB 4.13Å; I6-E18 HydrophobicContact CD1-CB 3.85Å; I6-E18 HydrophobicContact CD1-CG 4.21Å; I6-E18 HydrophobicContact CG1-CB 4.35Å; I6-M21 HydrophobicContact CD1-CE 4.38Å; I6-L62 HydrophobicContact CD1-CD2 4.16Å; I6-L62 HydrophobicContact CG2-CD1 4.42Å; I6-V66 HydrophobicContact CG2-CG2 4.02Å; I6-M102 HydrophobicContact CG2-CE 4.29Å; I6-M102 HydrophobicContact CG2-SD 4.35Å |
| 7 | L | 86 | Confident | 81.8 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -86.7 | -16.5 | -179 | -61.2 | 176.2 | 0 | 0 | 0 | 113.6 | E3 I5 L62 K65 V66 | E3-L7 HydrophobicContact CG-CD1 3.81Å; E3-L7 HydrophobicContact CG-CG 4.35Å; E3-L7 WeakPolarHBondContact O-CB 3.42Å; E3-L7 WeakPolarHBondContact O-CG 3.21Å; E3-L7 PolarHBondContact O-N 3.21Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.45Å; L7-L62 HydrophobicContact CD2-CD1 4.45Å; L7-K65 HydrophobicContact CD1-CB 4.31Å; L7-K65 HydrophobicContact CD1-CD 4.03Å; L7-K65 HydrophobicContact CD2-CB 3.96Å; L7-V66 HydrophobicContact CD2-CG2 4.02Å |
| 8 | G | 79.2 | Confident | 82.4 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -97.1 | -31.8 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | S4 I5 | S4-G8 WeakPolarHBondContact O-CA 3.16Å; S4-G8 PolarHBondContact O-N 2.96Å; I5-G8 PolarHBondContact O-N 3.4Å |
| 9 | D | 71.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | trans | -140 | 82.9 | 179 | -177.7 | 2.8 | 0 | 0 | 0 | 110.5 | I5 Q11 A14 | I5-D9 PolarHBondContact O-N 3.29Å; D9-Q11 PolarHBondContact O-N 3.03Å; D9-Q11 PolarHBondContact OD1-N 3.31Å; D9-A14 WeakPolarHBondContact O-CB 3.19Å | ||
| 10 | P | 65.9 | Low | 83.3 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.7 | -175.7 | 22.2 | -30.7 | 0 | 0 | 0 | 113.7 | F98 | P10-F98 HydrophobicContact CB-CD1 3.4Å; P10-F98 HydrophobicContact CB-CD2 4.03Å; P10-F98 HydrophobicContact CB-CE1 3.29Å; P10-F98 HydrophobicContact CB-CE2 3.92Å; P10-F98 HydrophobicContact CB-CG 3.77Å; P10-F98 HydrophobicContact CB-CZ 3.55Å; P10-F98 WeakPolarHBondContact O-CD2 3.44Å; P10-F98 WeakPolarHBondContact O-CE2 3.39Å |
| 11 | Q | 66.1 | Low | 83.8 | Confident | 157 Ų | 157 | 64.3 Ų | 64.3 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -26.4 | -165.7 | -69.3 | -176 | -0.6 | 0 | 0 | 115 | D9 | D9-Q11 PolarHBondContact O-N 3.03Å; D9-Q11 PolarHBondContact OD1-N 3.31Å |
| 12 | C | 67.6 | Low | 84.2 | Confident | 96 Ų | 96 | 56 Ų | 56 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -42.6 | -174.2 | -67.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 13 | L | 82.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -13.4 | -166.9 | -64.9 | 175.9 | 0 | 0 | 0 | 114.3 | I5 I15 D16 A17 | I5-L13 HydrophobicContact CG2-CB 3.76Å; L13-I15 PolarHBondContact O-N 3.3Å; L13-D16 PolarHBondContact O-N 3.07Å; L13-A17 VanDerWaalsContact O-CB 3.22Å; L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.06Å |
| 14 | A | 86 | Confident | 84.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | D9 A17 E18 F98 M102 | D9-A14 WeakPolarHBondContact O-CB 3.19Å; A14-A17 PolarHBondContact O-N 3.09Å; A14-E18 WeakPolarHBondContact O-CB 3.37Å; A14-E18 PolarHBondContact O-N 3.2Å; A14-F98 HydrophobicContact CB-CE2 3.49Å; A14-F98 VanDerWaalsContact CB-CE2 3.49Å; A14-F98 HydrophobicContact CB-CZ 3.84Å; A14-M102 VanDerWaalsContact C-CE 3.49Å; A14-M102 HydrophobicContact CB-CE 3.78Å |
| 15 | I | 84.2 | Confident | 85 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | -179.5 | -64.5 | 172.3 | 0 | 0 | 0 | 110.9 | L13 A17 E18 R19 E101 M102 | L13-I15 PolarHBondContact O-N 3.3Å; I15-A17 VanDerWaalsContact C-N 3.34Å; I15-E18 PolarHBondContact O-N 3.02Å; I15-R19 WeakPolarHBondContact O-CB 3.42Å; I15-R19 PolarHBondContact O-N 2.85Å; I15-E101 HydrophobicContact CD1-CG 3.86Å; I15-M102 HydrophobicContact CG1-CE 3.94Å |
| 16 | D | 87.8 | Confident | 85.2 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 177.4 | -75.5 | -30.4 | 0 | 0 | 0 | 111.7 | L13 R19 L20 | L13-D16 PolarHBondContact O-N 3.07Å; D16-R19 PolarHBondContact O-N 3.4Å; D16-R19 IonicContact OD1-CZ 2.78Å; D16-R19 IonicContact OD1-NH1 3.77Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; D16-R19 IonicContact OD1-NH2 3.03Å; D16-R19 PolarHBondContact OD1-NH2 3.26Å; D16-L20 WeakPolarHBondContact O-CB 3.33Å; D16-L20 VanDerWaalsContact O-CG 3.23Å; D16-L20 WeakPolarHBondContact O-CG 3.41Å; D16-L20 PolarHBondContact O-N 3.1Å |
| 17 | A | 91.6 | Very high | 85.5 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y2 I5 I6 L13 A14 I15 M21 | Y2-A17 HydrophobicContact CD1-CB 4.14Å; Y2-A17 WeakPolarHBondContact CD1-O 3.37Å; I5-A17 HydrophobicContact CB-CB 4.08Å; I5-A17 HydrophobicContact CG2-CB 3.76Å; I6-A17 HydrophobicContact CG1-CB 4.13Å; L13-A17 VanDerWaalsContact O-CB 3.22Å; L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.06Å; A14-A17 PolarHBondContact O-N 3.09Å; I15-A17 VanDerWaalsContact C-N 3.34Å; A17-M21 VanDerWaalsContact O-CB 3.23Å; A17-M21 WeakPolarHBondContact O-CB 3.48Å; A17-M21 PolarHBondContact O-N 2.86Å |
| 18 | E | 92.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | 175.5 | -165.9 | -70.3 | 139.2 | 0 | 0 | 110.9 | I6 A14 I15 L20 M21 W22 Y59 M102 M106 H109 | I6-E18 HydrophobicContact CD1-CB 3.85Å; I6-E18 HydrophobicContact CD1-CG 4.21Å; I6-E18 HydrophobicContact CG1-CB 4.35Å; A14-E18 WeakPolarHBondContact O-CB 3.37Å; A14-E18 PolarHBondContact O-N 3.2Å; I15-E18 PolarHBondContact O-N 3.02Å; E18-L20 PolarHBondContact O-N 3.03Å; E18-M21 HydrophobicContact CG-CE 4.11Å; E18-M21 WeakPolarHBondContact O-CB 3.44Å; E18-M21 PolarHBondContact O-N 2.63Å; E18-W22 PolarHBondContact O-N 3.31Å; E18-Y59 VanDerWaalsContact OE1-CE1 3.25Å; E18-Y59 WeakPolarHBondContact OE1-CE1 3.23Å; E18-Y59 PolarHBondContact OE1-OH 3.33Å; E18-M102 HydrophobicContact CB-CE 4.25Å; E18-M102 HydrophobicContact CB-SD 3.67Å; E18-M102 HydrophobicContact CG-SD 3.65Å; E18-M106 HydrophobicContact CG-CE 3.96Å; E18-H109 IonicContact OE1-CD2 2.94Å; E18-H109 PolarHBondContact OE1-CD2 2.76Å; E18-H109 IonicContact OE1-NE2 3.68Å; E18-H109 IonicContact OE2-CD2 2.61Å; E18-H109 IonicContact OE2-NE2 3.98Å; E18-H109 PolarHBondContact OE2-NE2 3.14Å |
| 19 | R | 90.9 | Very high | 86.5 | Confident | 115 Ų | 115 | 62 Ų | 62 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 178 | -174.9 | -178.2 | 70.5 | -136.8 | -8.4 | 112.1 | I15 D16 W22 Q23 | I15-R19 WeakPolarHBondContact O-CB 3.42Å; I15-R19 PolarHBondContact O-N 2.85Å; D16-R19 PolarHBondContact O-N 3.4Å; D16-R19 IonicContact OD1-CZ 2.78Å; D16-R19 IonicContact OD1-NH1 3.77Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; D16-R19 IonicContact OD1-NH2 3.03Å; D16-R19 PolarHBondContact OD1-NH2 3.26Å; R19-W22 PolarHBondContact O-N 3.31Å; R19-Q23 WeakPolarHBondContact O-CB 3.46Å; R19-Q23 VanDerWaalsContact O-CG 3.26Å; R19-Q23 WeakPolarHBondContact O-CG 3.34Å; R19-Q23 PolarHBondContact O-N 3.39Å |
| 20 | L | 92.8 | Very high | 87.5 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.7 | -73.5 | 172.6 | 0 | 0 | 0 | 111.7 | Y2 D16 E18 Q23 H24 | Y2-L20 HydrophobicContact CE1-CB 4.15Å; D16-L20 WeakPolarHBondContact O-CB 3.33Å; D16-L20 VanDerWaalsContact O-CG 3.23Å; D16-L20 WeakPolarHBondContact O-CG 3.41Å; D16-L20 PolarHBondContact O-N 3.1Å; E18-L20 PolarHBondContact O-N 3.03Å; L20-Q23 PolarHBondContact O-N 3.01Å; L20-H24 WeakPolarHBondContact O-CB 3.4Å; L20-H24 PolarHBondContact O-CD2 3.15Å; L20-H24 PolarHBondContact O-N 3.29Å |
| 21 | M | 93.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.3 | 177.7 | -170.2 | 71.9 | 0 | 0 | 111.2 | Y2 I6 A17 E18 Q23 C25 F26 Y58 Y59 L62 | Y2-M21 HydrophobicContact CD1-CB 4.34Å; Y2-M21 HydrophobicContact CD2-CB 3.66Å; Y2-M21 HydrophobicContact CD2-CG 3.89Å; Y2-M21 HydrophobicContact CE2-CB 4.19Å; Y2-M21 HydrophobicContact CG-CB 3.75Å; Y2-M21 HydrophobicContact CG-CG 4.25Å; I6-M21 HydrophobicContact CD1-CE 4.38Å; A17-M21 VanDerWaalsContact O-CB 3.23Å; A17-M21 WeakPolarHBondContact O-CB 3.48Å; A17-M21 PolarHBondContact O-N 2.86Å; E18-M21 HydrophobicContact CG-CE 4.11Å; E18-M21 WeakPolarHBondContact O-CB 3.44Å; E18-M21 PolarHBondContact O-N 2.63Å; M21-Q23 VanDerWaalsContact C-N 3.35Å; M21-Q23 PolarHBondContact O-N 3.48Å; M21-C25 WeakPolarHBondContact O-CB 3.47Å; M21-C25 PolarHBondContact O-N 3.33Å; M21-F26 HydrophobicContact CG-CE2 4.4Å; M21-Y58 HydrophobicContact CE-CE1 3.57Å; M21-Y58 HydrophobicContact SD-CE1 3.41Å; M21-Y58 WeakPolarHBondContact SD-CE1 3.27Å; M21-Y58 VanDerWaalsContact SD-CZ 3.59Å; M21-Y58 PolarHBondContact SD-OH 3.2Å; M21-Y59 HydrophobicContact CE-CE1 4.03Å; M21-L62 HydrophobicContact CE-CD2 4.22Å |
| 22 | W | 94.8 | Very high | 90 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -55.1 | -52.3 | 174.7 | 172.1 | -113.3 | 0 | 0 | 0 | 111.3 | E18 R19 F26 Q27 Y59 H109 D112 I113 Y116 | E18-W22 PolarHBondContact O-N 3.31Å; R19-W22 PolarHBondContact O-N 3.31Å; W22-F26 HydrophobicContact CD2-CB 4.49Å; W22-F26 HydrophobicContact CE3-CB 3.73Å; W22-F26 AromaticContact CE3-CD2 3.91Å; W22-F26 HydrophobicContact CE3-CD2 3.91Å; W22-F26 HydrophobicContact CE3-CG 4.19Å; W22-F26 HydrophobicContact CZ3-CB 3.75Å; W22-F26 HydrophobicContact CZ3-CD2 4.4Å; W22-F26 HydrophobicContact CZ3-CG 4.32Å; W22-F26 PolarHBondContact O-N 3.2Å; W22-F26 VanDerWaalsContact O-N 3.14Å; W22-Q27 HydrophobicContact CZ2-CB 4.41Å; W22-Q27 PolarHBondContact O-N 3.27Å; W22-Y59 WeakPolarHBondContact CB-OH 3.29Å; W22-Y59 AromaticContact CE3-CE2 3.98Å; W22-Y59 HydrophobicContact CE3-CE2 3.98Å; W22-Y59 HydrophobicContact CZ3-CE2 4.27Å; W22-H109 AromaticContact CD1-CE1 3.27Å; W22-H109 AromaticContact CD1-ND1 3.57Å; W22-H109 AromaticContact CD1-NE2 3.89Å; W22-H109 HydrophobicContact CD2-CB 4.02Å; W22-H109 AromaticContact CD2-CE1 3.74Å; W22-H109 AromaticContact CD2-CG 3.52Å; W22-H109 AromaticContact CD2-ND1 3.28Å; W22-H109 VanDerWaalsContact CD2-ND1 3.28Å; W22-H109 AromaticContact CE2-CE1 3.78Å; W22-H109 AromaticContact CE2-CG 3.91Å; W22-H109 AromaticContact CE2-ND1 3.22Å; W22-H109 HydrophobicContact CE3-CB 3.65Å; W22-H109 AromaticContact CE3-CG 3.68Å; W22-H109 AromaticContact CE3-ND1 3.87Å; W22-H109 AromaticContact CG-CD2 3.95Å; W22-H109 AromaticContact CG-CE1 3.41Å; W22-H109 VanDerWaalsContact CG-CE1 3.41Å; W22-H109 AromaticContact CG-CG 3.83Å; W22-H109 AromaticContact CG-ND1 3.5Å; W22-H109 AromaticContact CG-NE2 3.7Å; W22-H109 HydrophobicContact CH2-CB 4.13Å; W22-H109 HydrophobicContact CZ2-CB 4.47Å; W22-H109 AromaticContact CZ2-ND1 3.75Å; W22-H109 HydrophobicContact CZ3-CB 3.72Å; W22-H109 AromaticContact NE1-CE1 3.49Å; W22-H109 PolarHBondContact NE1-CE1 3.21Å; W22-H109 AromaticContact NE1-ND1 3.4Å; W22-H109 PolarHBondContact NE1-ND1 3.12Å; W22-D112 HydrophobicContact CH2-CB 3.68Å; W22-D112 HydrophobicContact CZ2-CB 3.72Å; W22-I113 HydrophobicContact CH2-CG1 4.12Å; W22-I113 HydrophobicContact CZ3-CD1 4.11Å; W22-I113 HydrophobicContact CZ3-CG1 3.86Å; W22-Y116 AromaticContact CH2-CE2 3.86Å; W22-Y116 HydrophobicContact CH2-CE2 3.86Å; W22-Y116 HydrophobicContact CZ2-CE2 4.13Å |
| 23 | Q | 94.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -61.2 | -52.9 | -176.4 | -75.1 | 176.9 | -13.3 | 0 | 0 | 112.3 | R19 L20 M21 Q28 | R19-Q23 WeakPolarHBondContact O-CB 3.46Å; R19-Q23 VanDerWaalsContact O-CG 3.26Å; R19-Q23 WeakPolarHBondContact O-CG 3.34Å; R19-Q23 PolarHBondContact O-N 3.39Å; L20-Q23 PolarHBondContact O-N 3.01Å; M21-Q23 VanDerWaalsContact C-N 3.35Å; M21-Q23 PolarHBondContact O-N 3.48Å; Q23-Q28 WeakPolarHBondContact O-CB 3.05Å; Q23-Q28 WeakPolarHBondContact O-CG 3.49Å; Q23-Q28 PolarHBondContact O-N 3.21Å |
| 24 | H | 92.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -83.1 | -34.2 | -171.5 | -67.4 | -54.2 | 0 | 0 | 0 | 114 | L20 Q28 | L20-H24 WeakPolarHBondContact O-CB 3.4Å; L20-H24 PolarHBondContact O-CD2 3.15Å; L20-H24 PolarHBondContact O-N 3.29Å; H24-Q28 PolarHBondContact ND1-OE1 3.28Å |
| 25 | C | 91 | Very high | 91.6 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 43% | 0.432 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -90.3 | -25.6 | -176.1 | -57.8 | 0 | 0 | 0 | 0 | 113 | M21 | M21-C25 WeakPolarHBondContact O-CB 3.47Å; M21-C25 PolarHBondContact O-N 3.33Å |
| 26 | F | 92.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -127.2 | -59.9 | -172.2 | -54.1 | -63 | 0 | 0 | 0 | 112.8 | M21 W22 F29 F30 A55 Y58 Y59 | M21-F26 HydrophobicContact CG-CE2 4.4Å; W22-F26 HydrophobicContact CD2-CB 4.49Å; W22-F26 HydrophobicContact CE3-CB 3.73Å; W22-F26 AromaticContact CE3-CD2 3.91Å; W22-F26 HydrophobicContact CE3-CD2 3.91Å; W22-F26 HydrophobicContact CE3-CG 4.19Å; W22-F26 HydrophobicContact CZ3-CB 3.75Å; W22-F26 HydrophobicContact CZ3-CD2 4.4Å; W22-F26 HydrophobicContact CZ3-CG 4.32Å; W22-F26 PolarHBondContact O-N 3.2Å; W22-F26 VanDerWaalsContact O-N 3.14Å; F26-F29 PolarHBondContact O-N 3.41Å; F26-F30 HydrophobicContact CB-CD2 4.25Å; F26-F30 HydrophobicContact CB-CE2 4.48Å; F26-F30 HydrophobicContact CD1-CE2 4.14Å; F26-F30 WeakPolarHBondContact O-CD2 3.36Å; F26-F30 PolarHBondContact O-N 2.93Å; F26-A55 HydrophobicContact CD1-CB 3.62Å; F26-A55 HydrophobicContact CE1-CB 3.35Å; F26-A55 HydrophobicContact CG-CB 4.49Å; F26-A55 HydrophobicContact CZ-CB 4.04Å; F26-Y58 HydrophobicContact CE2-CD1 4.43Å; F26-Y58 HydrophobicContact CZ-CD1 4.29Å; F26-Y59 AromaticContact CD2-CE2 3.82Å; F26-Y59 HydrophobicContact CD2-CE2 3.82Å; F26-Y59 HydrophobicContact CE2-CD2 4.45Å; F26-Y59 AromaticContact CE2-CE2 3.64Å; F26-Y59 HydrophobicContact CE2-CE2 3.64Å; F26-Y59 HydrophobicContact CZ-CE2 4.43Å |
| 27 | Q | 92.6 | Very high | 91.9 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -62.2 | -53.5 | -170.1 | -172.3 | -178.7 | -6.2 | 0 | 0 | 112.7 | W22 F29 F30 D31 | W22-Q27 HydrophobicContact CZ2-CB 4.41Å; W22-Q27 PolarHBondContact O-N 3.27Å; Q27-F29 PolarHBondContact O-N 3.3Å; Q27-F30 PolarHBondContact O-N 3.02Å; Q27-D31 WeakPolarHBondContact CG-OD2 3.17Å; Q27-D31 PolarHBondContact NE2-OD2 3.09Å; Q27-D31 WeakPolarHBondContact O-CB 3.38Å; Q27-D31 PolarHBondContact O-N 3.19Å |
| 28 | Q | 93 | Very high | 91.6 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -23.5 | 180 | -74.6 | 175.3 | -1.7 | 0 | 0 | 112.8 | Q23 H24 P32 | Q23-Q28 WeakPolarHBondContact O-CB 3.05Å; Q23-Q28 WeakPolarHBondContact O-CG 3.49Å; Q23-Q28 PolarHBondContact O-N 3.21Å; H24-Q28 PolarHBondContact ND1-OE1 3.28Å; Q28-P32 WeakPolarHBondContact O-CD 3.06Å |
| 29 | F | 92.3 | Very high | 91.5 | Very high | 92 Ų | 92 | 70 Ų | 70 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -86.4 | -46.5 | 177.8 | -173.1 | -101.4 | 0 | 0 | 0 | 112.5 | F26 Q27 I33 L51 | F26-F29 PolarHBondContact O-N 3.41Å; Q27-F29 PolarHBondContact O-N 3.3Å; F29-I33 HydrophobicContact CD1-CD1 3.76Å; F29-I33 HydrophobicContact CD2-CD1 4.49Å; F29-I33 HydrophobicContact CE1-CD1 3.4Å; F29-I33 HydrophobicContact CE2-CD1 4.2Å; F29-I33 HydrophobicContact CG-CD1 4.29Å; F29-I33 HydrophobicContact CZ-CD1 3.64Å; F29-I33 VanDerWaalsContact O-CD1 3.26Å; F29-I33 WeakPolarHBondContact O-CD1 3.31Å; F29-I33 VanDerWaalsContact O-CG1 3.28Å; F29-I33 WeakPolarHBondContact O-CG1 3.36Å; F29-L51 HydrophobicContact CD1-CD1 4.49Å; F29-L51 HydrophobicContact CE1-CD1 3.54Å; F29-L51 HydrophobicContact CZ-CD1 3.76Å |
| 30 | F | 93.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -88.7 | -25 | -172.3 | -68.6 | -61.6 | 0 | 0 | 0 | 115.1 | F26 Q27 I33 S34 A48 L51 L52 Y116 | F26-F30 HydrophobicContact CB-CD2 4.25Å; F26-F30 HydrophobicContact CB-CE2 4.48Å; F26-F30 HydrophobicContact CD1-CE2 4.14Å; F26-F30 WeakPolarHBondContact O-CD2 3.36Å; F26-F30 PolarHBondContact O-N 2.93Å; Q27-F30 PolarHBondContact O-N 3.02Å; F30-I33 HydrophobicContact CD1-CD1 4.37Å; F30-I33 PolarHBondContact O-N 3.01Å; F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 3.45Å; F30-S34 PolarHBondContact O-OG 3.26Å; F30-A48 HydrophobicContact CE1-CB 4.23Å; F30-A48 WeakPolarHBondContact CE1-O 3.35Å; F30-L51 HydrophobicContact CE1-CB 4.32Å; F30-L51 HydrophobicContact CZ-CB 3.67Å; F30-L52 HydrophobicContact CD1-CD1 4.17Å; F30-L52 HydrophobicContact CD1-CD2 3.88Å; F30-L52 HydrophobicContact CD1-CG 3.95Å; F30-L52 HydrophobicContact CD2-CD2 3.72Å; F30-L52 HydrophobicContact CD2-CG 4.49Å; F30-L52 HydrophobicContact CE1-CD1 4.02Å; F30-L52 HydrophobicContact CE1-CD2 3.79Å; F30-L52 HydrophobicContact CE1-CG 3.49Å; F30-L52 VanDerWaalsContact CE1-CG 3.49Å; F30-L52 HydrophobicContact CE2-CD2 3.62Å; F30-L52 HydrophobicContact CE2-CG 4.08Å; F30-L52 HydrophobicContact CG-CD2 3.86Å; F30-L52 HydrophobicContact CG-CG 4.44Å; F30-L52 HydrophobicContact CZ-CB 4.47Å; F30-L52 HydrophobicContact CZ-CD2 3.65Å; F30-L52 HydrophobicContact CZ-CG 3.56Å; F30-Y116 HydrophobicContact CB-CD1 4.08Å; F30-Y116 HydrophobicContact CB-CD2 3.63Å; F30-Y116 HydrophobicContact CB-CE1 4.27Å; F30-Y116 HydrophobicContact CB-CE2 3.84Å; F30-Y116 HydrophobicContact CB-CG 3.78Å; F30-Y116 HydrophobicContact CD2-CD2 4.45Å; F30-Y116 HydrophobicContact CG-CD2 4.25Å |
| 31 | D | 91.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 175.2 | -93 | -26.5 | 0 | 0 | 0 | 111.6 | Q27 I33 S34 R35 Y116 | Q27-D31 WeakPolarHBondContact CG-OD2 3.17Å; Q27-D31 PolarHBondContact NE2-OD2 3.09Å; Q27-D31 WeakPolarHBondContact O-CB 3.38Å; Q27-D31 PolarHBondContact O-N 3.19Å; D31-I33 PolarHBondContact O-N 3.03Å; D31-S34 PolarHBondContact O-OG 3.1Å; D31-R35 WeakPolarHBondContact O-CG 3.13Å; D31-R35 PolarHBondContact O-N 3.01Å; D31-Y116 WeakPolarHBondContact OD1-CE1 3.26Å; D31-Y116 PolarHBondContact OD1-OH 3.07Å |
| 32 | P | 92.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 177.3 | -22 | 34.3 | 0 | 0 | 0 | 113.5 | Q28 N36 | Q28-P32 WeakPolarHBondContact O-CD 3.06Å; P32-N36 WeakPolarHBondContact O-CB 3.27Å; P32-N36 PolarHBondContact O-N 3.46Å; P32-N36 PolarHBondContact O-ND2 3.34Å |
| 33 | I | 92.3 | Very high | 91 | Very high | 26 Ų | 26 | 79.3 Ų | 79.3 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | -179.3 | -68.4 | 173.3 | 0 | 0 | 0 | 110.4 | F29 F30 D31 R35 N36 A37 L40 A48 I120 | F29-I33 HydrophobicContact CD1-CD1 3.76Å; F29-I33 HydrophobicContact CD2-CD1 4.49Å; F29-I33 HydrophobicContact CE1-CD1 3.4Å; F29-I33 HydrophobicContact CE2-CD1 4.2Å; F29-I33 HydrophobicContact CG-CD1 4.29Å; F29-I33 HydrophobicContact CZ-CD1 3.64Å; F29-I33 VanDerWaalsContact O-CD1 3.26Å; F29-I33 WeakPolarHBondContact O-CD1 3.31Å; F29-I33 VanDerWaalsContact O-CG1 3.28Å; F29-I33 WeakPolarHBondContact O-CG1 3.36Å; F30-I33 HydrophobicContact CD1-CD1 4.37Å; F30-I33 PolarHBondContact O-N 3.01Å; D31-I33 PolarHBondContact O-N 3.03Å; I33-R35 VanDerWaalsContact C-N 3.35Å; I33-R35 PolarHBondContact O-N 3.05Å; I33-N36 CarbonylContact O-C 3.45Å; I33-N36 PolarHBondContact O-N 2.84Å; I33-A37 WeakPolarHBondContact O-CA 3.49Å; I33-A37 PolarHBondContact O-N 2.88Å; I33-L40 HydrophobicContact CB-CD1 4.3Å; I33-L40 HydrophobicContact CG1-CD1 4.39Å; I33-L40 HydrophobicContact CG2-CD1 3.79Å; I33-A48 HydrophobicContact CD1-CB 4.35Å; I33-A48 HydrophobicContact CG2-CB 4.07Å; I33-I120 HydrophobicContact CG2-CD1 3.71Å; I33-I120 HydrophobicContact CG2-CG1 4.07Å |
| 34 | S | 88.3 | Confident | 90.8 | Very high | 21 Ų | 21 | 81 Ų | 81 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | -179 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | F30 D31 N36 | F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 3.45Å; F30-S34 PolarHBondContact O-OG 3.26Å; D31-S34 PolarHBondContact O-OG 3.1Å; S34-N36 VanDerWaalsContact C-N 3.31Å; S34-N36 PolarHBondContact O-N 2.74Å |
| 35 | R | 89.1 | Confident | 90.7 | Very high | 190 Ų | 190 | 77.4 Ų | 77.4 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.4 | -27.2 | 176.6 | -67.2 | 177.4 | -164.6 | 172.7 | 6.7 | 113.7 | D31 I33 | D31-R35 WeakPolarHBondContact O-CG 3.13Å; D31-R35 PolarHBondContact O-N 3.01Å; I33-R35 VanDerWaalsContact C-N 3.35Å; I33-R35 PolarHBondContact O-N 3.05Å |
| 36 | N | 91.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 16 | -176.4 | -66.1 | -69.6 | 0 | 0 | 0 | 113.4 | P32 I33 S34 T38 R39 L40 | P32-N36 WeakPolarHBondContact O-CB 3.27Å; P32-N36 PolarHBondContact O-N 3.46Å; P32-N36 PolarHBondContact O-ND2 3.34Å; I33-N36 CarbonylContact O-C 3.45Å; I33-N36 PolarHBondContact O-N 2.84Å; S34-N36 VanDerWaalsContact C-N 3.31Å; S34-N36 PolarHBondContact O-N 2.74Å; N36-T38 PolarHBondContact O-N 3.28Å; N36-T38 VanDerWaalsContact O-N 3.08Å; N36-R39 PolarHBondContact O-N 2.96Å; N36-L40 PolarHBondContact O-N 3.13Å |
| 37 | A | 87.1 | Confident | 90.6 | Very high | 12 Ų | 12 | 85.2 Ų | 85.2 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -53.8 | -37 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I33 R39 L40 L45 | I33-A37 WeakPolarHBondContact O-CA 3.49Å; I33-A37 PolarHBondContact O-N 2.88Å; A37-R39 PolarHBondContact O-N 2.64Å; A37-L40 PolarHBondContact O-N 3.12Å; A37-L45 HydrophobicContact CB-CD2 4.14Å |
| 38 | T | 86.1 | Confident | 90.6 | Very high | 137 Ų | 137 | 82.4 Ų | 82.4 | 84% | 0.84 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -66 | -17.9 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | N36 | N36-T38 PolarHBondContact O-N 3.28Å; N36-T38 VanDerWaalsContact O-N 3.08Å |
| 39 | R | 90.3 | Very high | 90.4 | Very high | 204 Ų | 204 | 78.9 Ų | 78.9 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -101.6 | -10.7 | -178.5 | -61 | 179.5 | 177.6 | 177.7 | -2.3 | 113.4 | N36 A37 | N36-R39 PolarHBondContact O-N 2.96Å; A37-R39 PolarHBondContact O-N 2.64Å |
| 40 | L | 89.7 | Confident | 90.3 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -88.2 | 152 | -175.8 | -67.1 | 173.7 | 0 | 0 | 0 | 111.5 | I33 N36 A37 Q44 L45 | I33-L40 HydrophobicContact CB-CD1 4.3Å; I33-L40 HydrophobicContact CG1-CD1 4.39Å; I33-L40 HydrophobicContact CG2-CD1 3.79Å; N36-L40 PolarHBondContact O-N 3.13Å; A37-L40 PolarHBondContact O-N 3.12Å; L40-Q44 HydrophobicContact CB-CB 4.42Å; L40-L45 HydrophobicContact CB-CD2 3.91Å; L40-L45 HydrophobicContact CB-CG 4.1Å; L40-L45 HydrophobicContact CD1-CD2 4.06Å |
| 41 | K | 90.8 | Very high | 90.3 | Very high | 158 Ų | 158 | 82.8 Ų | 82.8 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | trans | -70.8 | 148.7 | 175.5 | -63.7 | -178.8 | -179.6 | 179.9 | 0 | 110 | E43 Q44 L45 | K41-E43 PolarHBondContact O-N 3.29Å; K41-E43 VanDerWaalsContact O-N 3.08Å; K41-Q44 HydrophobicContact CB-CG 4.39Å; K41-Q44 WeakPolarHBondContact O-CB 3.38Å; K41-Q44 PolarHBondContact O-N 2.76Å; K41-L45 PolarHBondContact O-N 2.94Å; K41-L45 VanDerWaalsContact O-N 3.15Å | ||
| 42 | A | 87.9 | Confident | 90.3 | Very high | 62 Ų | 62 | 81.1 Ų | 81.1 | 51% | 0.512 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -51.9 | -35.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L45 R46 | A42-L45 PolarHBondContact O-N 3.46Å; A42-R46 PolarHBondContact O-N 3.13Å |
| 43 | E | 91.5 | Very high | 90.2 | Very high | 115 Ų | 115 | 82.5 Ų | 82.5 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.6 | -168.1 | 59.1 | -142 | 0 | 0 | 112.8 | K41 L45 R46 K47 | K41-E43 PolarHBondContact O-N 3.29Å; K41-E43 VanDerWaalsContact O-N 3.08Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-R46 PolarHBondContact O-N 2.91Å; E43-R46 IonicContact OE1-NH1 2.72Å; E43-R46 PolarHBondContact OE1-NH1 3.46Å; E43-R46 IonicContact OE2-CZ 3.66Å; E43-R46 IonicContact OE2-NH1 3.5Å; E43-R46 PolarHBondContact OE2-NH1 3.13Å; E43-R46 IonicContact OE2-NH2 3.2Å; E43-K47 PolarHBondContact O-N 2.92Å |
| 44 | Q | 91.6 | Very high | 90.2 | Very high | 101 Ų | 101 | 85.4 Ų | 85.4 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 179 | -63.6 | 173.7 | -58.8 | 0 | 0 | 110.6 | L40 K41 K47 A48 | L40-Q44 HydrophobicContact CB-CB 4.42Å; K41-Q44 HydrophobicContact CB-CG 4.39Å; K41-Q44 WeakPolarHBondContact O-CB 3.38Å; K41-Q44 PolarHBondContact O-N 2.76Å; Q44-K47 PolarHBondContact O-N 2.64Å; Q44-A48 WeakPolarHBondContact O-CB 3.37Å; Q44-A48 PolarHBondContact O-N 3.07Å |
| 45 | L | 90.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 84.4 Ų | 84.4 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.6 | -61.1 | 172.2 | 0 | 0 | 0 | 111.7 | A37 L40 K41 A42 E43 A48 M49 I120 Y121 | A37-L45 HydrophobicContact CB-CD2 4.14Å; L40-L45 HydrophobicContact CB-CD2 3.91Å; L40-L45 HydrophobicContact CB-CG 4.1Å; L40-L45 HydrophobicContact CD1-CD2 4.06Å; K41-L45 PolarHBondContact O-N 2.94Å; K41-L45 VanDerWaalsContact O-N 3.15Å; A42-L45 PolarHBondContact O-N 3.46Å; E43-L45 VanDerWaalsContact C-N 3.34Å; L45-A48 PolarHBondContact O-N 3.44Å; L45-M49 WeakPolarHBondContact O-CG 3.34Å; L45-M49 PolarHBondContact O-N 2.88Å; L45-I120 HydrophobicContact CB-CG2 4.15Å; L45-I120 HydrophobicContact CD2-CG2 3.78Å; L45-Y121 HydrophobicContact CB-CE2 4.11Å |
| 46 | R | 89.8 | Confident | 90.6 | Very high | 116 Ų | 116 | 76.7 Ų | 76.7 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 175 | -166.1 | -173.2 | -53 | 121.5 | 7.3 | 111.5 | A42 E43 A48 M49 E50 | A42-R46 PolarHBondContact O-N 3.13Å; E43-R46 PolarHBondContact O-N 2.91Å; E43-R46 IonicContact OE1-NH1 2.72Å; E43-R46 PolarHBondContact OE1-NH1 3.46Å; E43-R46 IonicContact OE2-CZ 3.66Å; E43-R46 IonicContact OE2-NH1 3.5Å; E43-R46 PolarHBondContact OE2-NH1 3.13Å; E43-R46 IonicContact OE2-NH2 3.2Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 2.52Å; R46-M49 WeakPolarHBondContact O-CB 3.32Å; R46-M49 PolarHBondContact O-N 3.17Å; R46-M49 VanDerWaalsContact O-N 3.1Å; R46-E50 PolarHBondContact O-N 3.25Å |
| 47 | K | 91.6 | Very high | 90.7 | Very high | 137 Ų | 137 | 77.2 Ų | 77.2 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 176.7 | -169.6 | 170.7 | -175.2 | 174.1 | 0 | 112.2 | E43 Q44 M49 E50 L51 | E43-K47 PolarHBondContact O-N 2.92Å; Q44-K47 PolarHBondContact O-N 2.64Å; K47-M49 VanDerWaalsContact C-N 3.34Å; K47-M49 PolarHBondContact O-N 3.16Å; K47-E50 PolarHBondContact O-N 3.02Å; K47-L51 WeakPolarHBondContact O-CG 3.05Å; K47-L51 PolarHBondContact O-N 3.28Å; K47-L51 VanDerWaalsContact O-N 3.1Å |
| 48 | A | 91.8 | Very high | 91 | Very high | 2 Ų | 2 | 79.3 Ų | 79.3 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F30 I33 Q44 L45 R46 L51 L52 I120 | F30-A48 HydrophobicContact CE1-CB 4.23Å; F30-A48 WeakPolarHBondContact CE1-O 3.35Å; I33-A48 HydrophobicContact CD1-CB 4.35Å; I33-A48 HydrophobicContact CG2-CB 4.07Å; Q44-A48 WeakPolarHBondContact O-CB 3.37Å; Q44-A48 PolarHBondContact O-N 3.07Å; L45-A48 PolarHBondContact O-N 3.44Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 2.52Å; A48-L51 PolarHBondContact O-N 3.45Å; A48-L52 WeakPolarHBondContact O-CG 3.25Å; A48-L52 PolarHBondContact O-N 2.9Å; A48-I120 HydrophobicContact CB-CD1 3.99Å |
| 49 | M | 89.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 21% | 0.207 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 176.2 | -76.3 | -62.3 | -66.3 | 0 | 0 | 113.3 | L45 R46 K47 L51 L52 H53 R117 I120 Y121 | L45-M49 WeakPolarHBondContact O-CG 3.34Å; L45-M49 PolarHBondContact O-N 2.88Å; R46-M49 WeakPolarHBondContact O-CB 3.32Å; R46-M49 PolarHBondContact O-N 3.17Å; R46-M49 VanDerWaalsContact O-N 3.1Å; K47-M49 VanDerWaalsContact C-N 3.34Å; K47-M49 PolarHBondContact O-N 3.16Å; M49-L51 VanDerWaalsContact C-N 3.33Å; M49-L52 PolarHBondContact O-N 3.1Å; M49-L52 HydrophobicContact SD-CD1 4.2Å; M49-H53 PolarHBondContact O-N 3.15Å; M49-R117 HydrophobicContact CE-CB 4.27Å; M49-R117 HydrophobicContact CE-CG 4.17Å; M49-R117 HydrophobicContact SD-CB 4.2Å; M49-R117 HydrophobicContact SD-CG 4.11Å; M49-I120 HydrophobicContact CG-CG2 4.09Å; M49-I120 HydrophobicContact SD-CB 4.46Å; M49-I120 HydrophobicContact SD-CG2 4.18Å; M49-Y121 HydrophobicContact CE-CD2 4.47Å; M49-Y121 HydrophobicContact CG-CD2 3.5Å; M49-Y121 VanDerWaalsContact CG-CD2 3.5Å; M49-Y121 HydrophobicContact CG-CE2 3.54Å; M49-Y121 HydrophobicContact SD-CD2 3.87Å |
| 50 | E | 91.2 | Very high | 91.5 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.5 | -71.4 | 168.1 | -169.1 | 0 | 0 | 110.8 | R46 K47 L52 H53 V54 | R46-E50 PolarHBondContact O-N 3.25Å; K47-E50 PolarHBondContact O-N 3.02Å; E50-L52 PolarHBondContact O-N 2.77Å; E50-H53 WeakPolarHBondContact O-CB 3.41Å; E50-H53 PolarHBondContact O-N 3.23Å; E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 3.49Å |
| 51 | L | 92.7 | Very high | 91.7 | Very high | 66 Ų | 66 | 67.9 Ų | 67.9 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 177.1 | -68.1 | 170.8 | 0 | 0 | 0 | 112.4 | F29 F30 K47 A48 M49 H53 V54 A55 | F29-L51 HydrophobicContact CD1-CD1 4.49Å; F29-L51 HydrophobicContact CE1-CD1 3.54Å; F29-L51 HydrophobicContact CZ-CD1 3.76Å; F30-L51 HydrophobicContact CE1-CB 4.32Å; F30-L51 HydrophobicContact CZ-CB 3.67Å; K47-L51 WeakPolarHBondContact O-CG 3.05Å; K47-L51 PolarHBondContact O-N 3.28Å; K47-L51 VanDerWaalsContact O-N 3.1Å; A48-L51 PolarHBondContact O-N 3.45Å; M49-L51 VanDerWaalsContact C-N 3.33Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 3.43Å; L51-V54 PolarHBondContact O-N 3.2Å; L51-A55 WeakPolarHBondContact O-CB 3.34Å; L51-A55 PolarHBondContact O-N 3.14Å |
| 52 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -34 | 173.7 | -73.6 | 165 | 0 | 0 | 0 | 112.4 | F30 A48 M49 E50 A55 T56 I113 Y116 R117 I120 | F30-L52 HydrophobicContact CD1-CD1 4.17Å; F30-L52 HydrophobicContact CD1-CD2 3.88Å; F30-L52 HydrophobicContact CD1-CG 3.95Å; F30-L52 HydrophobicContact CD2-CD2 3.72Å; F30-L52 HydrophobicContact CD2-CG 4.49Å; F30-L52 HydrophobicContact CE1-CD1 4.02Å; F30-L52 HydrophobicContact CE1-CD2 3.79Å; F30-L52 HydrophobicContact CE1-CG 3.49Å; F30-L52 VanDerWaalsContact CE1-CG 3.49Å; F30-L52 HydrophobicContact CE2-CD2 3.62Å; F30-L52 HydrophobicContact CE2-CG 4.08Å; F30-L52 HydrophobicContact CG-CD2 3.86Å; F30-L52 HydrophobicContact CG-CG 4.44Å; F30-L52 HydrophobicContact CZ-CB 4.47Å; F30-L52 HydrophobicContact CZ-CD2 3.65Å; F30-L52 HydrophobicContact CZ-CG 3.56Å; A48-L52 WeakPolarHBondContact O-CG 3.25Å; A48-L52 PolarHBondContact O-N 2.9Å; M49-L52 PolarHBondContact O-N 3.1Å; M49-L52 HydrophobicContact SD-CD1 4.2Å; E50-L52 PolarHBondContact O-N 2.77Å; L52-A55 PolarHBondContact O-N 3.17Å; L52-T56 PolarHBondContact O-N 3.36Å; L52-T56 PolarHBondContact O-OG1 2.77Å; L52-I113 HydrophobicContact CB-CG2 4.44Å; L52-I113 HydrophobicContact CD2-CG2 3.95Å; L52-Y116 HydrophobicContact CD2-CD2 4.24Å; L52-R117 HydrophobicContact CB-CG 3.74Å; L52-R117 HydrophobicContact CD1-CB 4.44Å; L52-R117 HydrophobicContact CD1-CG 3.65Å; L52-R117 HydrophobicContact CG-CG 4.16Å; L52-I120 HydrophobicContact CD1-CD1 3.6Å |
| 53 | H | 90.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 173 | -176.3 | 68.6 | 0 | 0 | 0 | 111.2 | M49 E50 L51 A55 T56 N57 | M49-H53 PolarHBondContact O-N 3.15Å; E50-H53 WeakPolarHBondContact O-CB 3.41Å; E50-H53 PolarHBondContact O-N 3.23Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 3.43Å; H53-A55 PolarHBondContact O-N 3.05Å; H53-T56 WeakPolarHBondContact O-CB 3.35Å; H53-T56 PolarHBondContact O-N 3.26Å; H53-N57 PolarHBondContact CD2-ND2 3.4Å; H53-N57 PolarHBondContact NE2-ND2 3.39Å; H53-N57 PolarHBondContact O-N 2.9Å; H53-N57 PolarHBondContact O-ND2 2.72Å |
| 54 | V | 92.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 111 | E50 L51 T56 N57 Y58 | E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 3.49Å; L51-V54 PolarHBondContact O-N 3.2Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 3.01Å; V54-N57 PolarHBondContact O-N 3.09Å; V54-Y58 WeakPolarHBondContact O-CB 3.3Å; V54-Y58 PolarHBondContact O-N 2.95Å |
| 55 | A | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F26 L51 L52 H53 Y58 Y59 I113 | F26-A55 HydrophobicContact CD1-CB 3.62Å; F26-A55 HydrophobicContact CE1-CB 3.35Å; F26-A55 HydrophobicContact CG-CB 4.49Å; F26-A55 HydrophobicContact CZ-CB 4.04Å; L51-A55 WeakPolarHBondContact O-CB 3.34Å; L51-A55 PolarHBondContact O-N 3.14Å; L52-A55 PolarHBondContact O-N 3.17Å; H53-A55 PolarHBondContact O-N 3.05Å; A55-Y58 PolarHBondContact O-N 3.24Å; A55-Y59 WeakPolarHBondContact O-CD2 3.39Å; A55-Y59 PolarHBondContact O-N 3.34Å; A55-I113 HydrophobicContact CB-CD1 3.74Å; A55-I113 HydrophobicContact CB-CG1 4.31Å |
| 56 | T | 92.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 111 | L52 H53 V54 Y58 F60 M110 I113 | L52-T56 PolarHBondContact O-N 3.36Å; L52-T56 PolarHBondContact O-OG1 2.77Å; H53-T56 WeakPolarHBondContact O-CB 3.35Å; H53-T56 PolarHBondContact O-N 3.26Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 3.01Å; T56-Y58 VanDerWaalsContact C-N 3.32Å; T56-Y58 PolarHBondContact O-N 2.85Å; T56-F60 WeakPolarHBondContact O-CB 3.39Å; T56-F60 PolarHBondContact O-N 3.45Å; T56-M110 HydrophobicContact CG2-CE 4.32Å; T56-I113 VanDerWaalsContact OG1-CG2 3.31Å; T56-I113 WeakPolarHBondContact OG1-CG2 3.37Å |
| 57 | N | 92.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -37.7 | -179.5 | -69.2 | -21 | 0 | 0 | 0 | 111.7 | H53 V54 C61 | H53-N57 PolarHBondContact CD2-ND2 3.4Å; H53-N57 PolarHBondContact NE2-ND2 3.39Å; H53-N57 PolarHBondContact O-N 2.9Å; H53-N57 PolarHBondContact O-ND2 2.72Å; V54-N57 PolarHBondContact O-N 3.09Å; N57-C61 WeakPolarHBondContact O-CB 3.27Å; N57-C61 PolarHBondContact O-N 3.43Å; N57-C61 PolarHBondContact O-SG 3.02Å; N57-C61 VanDerWaalsContact O-SG 3.36Å |
| 58 | Y | 93.8 | Very high | 92.5 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -56.5 | 176.9 | 176.7 | -96.7 | 0 | 0 | 0 | 111.4 | E3 M21 F26 V54 A55 T56 F60 C61 L62 | E3-Y58 WeakPolarHBondContact OE2-CE2 3.47Å; M21-Y58 HydrophobicContact CE-CE1 3.57Å; M21-Y58 HydrophobicContact SD-CE1 3.41Å; M21-Y58 WeakPolarHBondContact SD-CE1 3.27Å; M21-Y58 VanDerWaalsContact SD-CZ 3.59Å; M21-Y58 PolarHBondContact SD-OH 3.2Å; F26-Y58 HydrophobicContact CE2-CD1 4.43Å; F26-Y58 HydrophobicContact CZ-CD1 4.29Å; V54-Y58 WeakPolarHBondContact O-CB 3.3Å; V54-Y58 PolarHBondContact O-N 2.95Å; A55-Y58 PolarHBondContact O-N 3.24Å; T56-Y58 VanDerWaalsContact C-N 3.32Å; T56-Y58 PolarHBondContact O-N 2.85Å; Y58-F60 VanDerWaalsContact C-N 3.32Å; Y58-F60 PolarHBondContact O-N 2.9Å; Y58-C61 PolarHBondContact O-N 3.3Å; Y58-L62 HydrophobicContact CE1-CD2 3.8Å; Y58-L62 WeakPolarHBondContact O-CB 3.4Å; Y58-L62 PolarHBondContact O-N 3.42Å |
| 59 | Y | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 179.6 | -87.5 | -74.4 | 0 | 0 | 0 | 112.4 | E18 M21 W22 F26 A55 C61 L62 I63 M106 H109 M110 I113 | E18-Y59 VanDerWaalsContact OE1-CE1 3.25Å; E18-Y59 WeakPolarHBondContact OE1-CE1 3.23Å; E18-Y59 PolarHBondContact OE1-OH 3.33Å; M21-Y59 HydrophobicContact CE-CE1 4.03Å; W22-Y59 WeakPolarHBondContact CB-OH 3.29Å; W22-Y59 AromaticContact CE3-CE2 3.98Å; W22-Y59 HydrophobicContact CE3-CE2 3.98Å; W22-Y59 HydrophobicContact CZ3-CE2 4.27Å; F26-Y59 AromaticContact CD2-CE2 3.82Å; F26-Y59 HydrophobicContact CD2-CE2 3.82Å; F26-Y59 HydrophobicContact CE2-CD2 4.45Å; F26-Y59 AromaticContact CE2-CE2 3.64Å; F26-Y59 HydrophobicContact CE2-CE2 3.64Å; F26-Y59 HydrophobicContact CZ-CE2 4.43Å; A55-Y59 WeakPolarHBondContact O-CD2 3.39Å; A55-Y59 PolarHBondContact O-N 3.34Å; Y59-C61 PolarHBondContact O-N 3.22Å; Y59-L62 PolarHBondContact O-N 3.04Å; Y59-I63 WeakPolarHBondContact O-CB 3.47Å; Y59-I63 VanDerWaalsContact O-CG1 3.29Å; Y59-I63 WeakPolarHBondContact O-CG1 3.42Å; Y59-I63 PolarHBondContact O-N 3.49Å; Y59-M106 HydrophobicContact CD1-CB 3.9Å; Y59-M106 HydrophobicContact CD1-CG 3.76Å; Y59-M106 HydrophobicContact CD1-SD 4.49Å; Y59-M106 HydrophobicContact CE1-CB 4.31Å; Y59-M106 HydrophobicContact CE1-CG 3.9Å; Y59-H109 HydrophobicContact CE1-CB 4.1Å; Y59-H109 HydrophobicContact CE2-CB 4.23Å; Y59-M110 HydrophobicContact CG-CG 4.3Å; Y59-I113 HydrophobicContact CD2-CD1 3.66Å; Y59-I113 HydrophobicContact CE2-CD1 4.08Å |
| 60 | F | 92.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 176.5 | -178.4 | -104.7 | 0 | 0 | 0 | 112.9 | T56 Y58 R64 M110 | T56-F60 WeakPolarHBondContact O-CB 3.39Å; T56-F60 PolarHBondContact O-N 3.45Å; Y58-F60 VanDerWaalsContact C-N 3.32Å; Y58-F60 PolarHBondContact O-N 2.9Å; F60-R64 VanDerWaalsContact CE1-NH1 3.28Å; F60-R64 PolarHBondContact O-N 2.87Å; F60-M110 HydrophobicContact CB-CE 4.38Å |
| 61 | C | 93.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 50 Ų | 50 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 175 | -74.7 | 0 | 0 | 0 | 0 | 112 | N57 Y58 Y59 R64 K65 | N57-C61 WeakPolarHBondContact O-CB 3.27Å; N57-C61 PolarHBondContact O-N 3.43Å; N57-C61 PolarHBondContact O-SG 3.02Å; N57-C61 VanDerWaalsContact O-SG 3.36Å; Y58-C61 PolarHBondContact O-N 3.3Å; Y59-C61 PolarHBondContact O-N 3.22Å; C61-R64 PolarHBondContact O-N 2.87Å; C61-K65 WeakPolarHBondContact O-CG 3.1Å; C61-K65 PolarHBondContact O-N 3.43Å; C61-K65 VanDerWaalsContact O-N 3.16Å |
| 62 | L | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | -179.4 | -173.8 | 57.1 | 0 | 0 | 0 | 111.9 | E3 I6 L7 M21 Y58 Y59 R64 K65 V66 M106 | E3-L62 HydrophobicContact CG-CD1 4.02Å; I6-L62 HydrophobicContact CD1-CD2 4.16Å; I6-L62 HydrophobicContact CG2-CD1 4.42Å; L7-L62 HydrophobicContact CD2-CD1 4.45Å; M21-L62 HydrophobicContact CE-CD2 4.22Å; Y58-L62 HydrophobicContact CE1-CD2 3.8Å; Y58-L62 WeakPolarHBondContact O-CB 3.4Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y59-L62 PolarHBondContact O-N 3.04Å; L62-R64 VanDerWaalsContact C-N 3.28Å; L62-R64 PolarHBondContact O-N 3.01Å; L62-K65 PolarHBondContact O-N 3.35Å; L62-V66 HydrophobicContact CD1-CG2 4.09Å; L62-V66 HydrophobicContact CG-CG2 4.29Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 3.03Å; L62-M106 HydrophobicContact CB-CE 4.49Å; L62-M106 HydrophobicContact CB-SD 4.38Å; L62-M106 HydrophobicContact CD1-CE 4.49Å; L62-M106 HydrophobicContact CD2-CE 3.33Å; L62-M106 HydrophobicContact CD2-SD 4.16Å; L62-M106 HydrophobicContact CG-CE 3.48Å; L62-M106 VanDerWaalsContact CG-CE 3.48Å; L62-M106 HydrophobicContact CG-SD 3.93Å |
| 63 | I | 93.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.2 | -47 | 173.9 | -73.7 | 168.7 | 0 | 0 | 0 | 110.6 | Y59 K65 V66 A67 L79 I103 M106 Y107 M110 | Y59-I63 WeakPolarHBondContact O-CB 3.47Å; Y59-I63 VanDerWaalsContact O-CG1 3.29Å; Y59-I63 WeakPolarHBondContact O-CG1 3.42Å; Y59-I63 PolarHBondContact O-N 3.49Å; I63-K65 VanDerWaalsContact C-N 3.31Å; I63-K65 PolarHBondContact O-N 3.5Å; I63-V66 PolarHBondContact O-N 3.43Å; I63-A67 WeakPolarHBondContact O-CB 3.13Å; I63-A67 PolarHBondContact O-N 3.48Å; I63-L79 HydrophobicContact CG2-CD2 3.65Å; I63-I103 HydrophobicContact CG1-CG2 4.48Å; I63-I103 HydrophobicContact CG2-CD1 4.29Å; I63-I103 HydrophobicContact CG2-CG1 4.32Å; I63-I103 HydrophobicContact CG2-CG2 4.12Å; I63-M106 HydrophobicContact CD1-CB 3.85Å; I63-M106 HydrophobicContact CG1-CB 3.61Å; I63-M106 HydrophobicContact CG1-CG 4.22Å; I63-M106 HydrophobicContact CG1-SD 3.65Å; I63-Y107 HydrophobicContact CD1-CD1 4.1Å; I63-Y107 HydrophobicContact CD1-CE1 3.9Å; I63-M110 HydrophobicContact CD1-CG 4.49Å; I63-M110 HydrophobicContact CD1-SD 3.42Å; I63-M110 WeakPolarHBondContact CD1-SD 3.33Å |
| 64 | R | 93.1 | Very high | 91.1 | Very high | 134 Ų | 134 | 50.9 Ų | 50.9 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 179 | -74 | 177 | 168.1 | 178.9 | -5.8 | 113.5 | F60 C61 L62 K68 | F60-R64 VanDerWaalsContact CE1-NH1 3.28Å; F60-R64 PolarHBondContact O-N 2.87Å; C61-R64 PolarHBondContact O-N 2.87Å; L62-R64 VanDerWaalsContact C-N 3.28Å; L62-R64 PolarHBondContact O-N 3.01Å; R64-K68 WeakPolarHBondContact O-CG 3.36Å |
| 65 | K | 93.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.5 | -46.1 | 177.4 | -71.8 | 173 | 176.9 | 174.7 | 0 | 110.8 | E3 L7 C61 L62 I63 K68 | E3-K65 IonicContact OE1-NZ 2.63Å; E3-K65 PolarHBondContact OE1-NZ 3.19Å; L7-K65 HydrophobicContact CD1-CB 4.31Å; L7-K65 HydrophobicContact CD1-CD 4.03Å; L7-K65 HydrophobicContact CD2-CB 3.96Å; C61-K65 WeakPolarHBondContact O-CG 3.1Å; C61-K65 PolarHBondContact O-N 3.43Å; C61-K65 VanDerWaalsContact O-N 3.16Å; L62-K65 PolarHBondContact O-N 3.35Å; I63-K65 VanDerWaalsContact C-N 3.31Å; I63-K65 PolarHBondContact O-N 3.5Å; K65-K68 PolarHBondContact O-N 3.3Å |
| 66 | V | 92.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | I6 L7 L62 I63 K68 V69 F98 V99 M102 I103 M106 | I6-V66 HydrophobicContact CG2-CG2 4.02Å; L7-V66 HydrophobicContact CD2-CG2 4.02Å; L62-V66 HydrophobicContact CD1-CG2 4.09Å; L62-V66 HydrophobicContact CG-CG2 4.29Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 3.03Å; I63-V66 PolarHBondContact O-N 3.43Å; V66-K68 PolarHBondContact O-N 2.93Å; V66-V69 VanDerWaalsContact O-CB 3.31Å; V66-V69 WeakPolarHBondContact O-CB 3.3Å; V66-V69 PolarHBondContact O-N 3.22Å; V66-F98 HydrophobicContact CG1-CE1 4.35Å; V66-V99 HydrophobicContact CG1-CG1 4.36Å; V66-M102 HydrophobicContact CG1-CB 3.93Å; V66-M102 HydrophobicContact CG1-CG 3.78Å; V66-M102 HydrophobicContact CG2-CG 4.17Å; V66-I103 HydrophobicContact CB-CG1 4.4Å; V66-I103 HydrophobicContact CG1-CD1 4.23Å; V66-I103 HydrophobicContact CG1-CG1 4.04Å; V66-M106 HydrophobicContact CG2-CE 4.14Å |
| 67 | A | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -36.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I63 V69 G70 E75 V78 L79 I103 | I63-A67 WeakPolarHBondContact O-CB 3.13Å; I63-A67 PolarHBondContact O-N 3.48Å; A67-V69 VanDerWaalsContact C-N 3.28Å; A67-V69 PolarHBondContact O-N 3.5Å; A67-G70 PolarHBondContact O-N 3Å; A67-E75 HydrophobicContact CB-CG 4.07Å; A67-E75 WeakPolarHBondContact O-CB 3.43Å; A67-V78 HydrophobicContact CB-CG2 3.62Å; A67-L79 HydrophobicContact CB-CD1 3.93Å; A67-L79 HydrophobicContact CB-CD2 3.99Å; A67-L79 HydrophobicContact CB-CG 3.87Å; A67-I103 HydrophobicContact CB-CD1 3.82Å |
| 68 | K | 91.1 | Very high | 89.6 | Confident | 144 Ų | 144 | 50 Ų | 50 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.6 | 178.5 | -70.9 | 178.9 | 178.5 | -167.3 | 0 | 114.8 | R64 K65 V66 G70 E75 | R64-K68 WeakPolarHBondContact O-CG 3.36Å; K65-K68 PolarHBondContact O-N 3.3Å; V66-K68 PolarHBondContact O-N 2.93Å; K68-G70 VanDerWaalsContact C-N 3.32Å; K68-E75 WeakPolarHBondContact CG-OE1 3.42Å |
| 69 | V | 89.3 | Confident | 89.2 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -28.2 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | V66 A67 V99 | V66-V69 VanDerWaalsContact O-CB 3.31Å; V66-V69 WeakPolarHBondContact O-CB 3.3Å; V66-V69 PolarHBondContact O-N 3.22Å; A67-V69 VanDerWaalsContact C-N 3.28Å; A67-V69 PolarHBondContact O-N 3.5Å; V69-V99 HydrophobicContact CB-CG2 4.34Å |
| 70 | G | 86.1 | Confident | 88.2 | Confident | 14 Ų | 14 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -84.9 | -176.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A67 K68 D96 | A67-G70 PolarHBondContact O-N 3Å; K68-G70 VanDerWaalsContact C-N 3.32Å; G70-D96 VanDerWaalsContact CA-OD1 3.28Å; G70-D96 WeakPolarHBondContact CA-OD1 3.21Å |
| 71 | S | 88.7 | Confident | 86.9 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | trans | -63.4 | 160.2 | 171.2 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | L73 A74 E75 D96 | S71-L73 PolarHBondContact O-N 2.77Å; S71-L73 PolarHBondContact OG-N 3.39Å; S71-A74 PolarHBondContact O-N 2.8Å; S71-A74 PolarHBondContact OG-N 2.95Å; S71-A74 VanDerWaalsContact OG-N 3.11Å; S71-E75 PolarHBondContact O-N 3.18Å; S71-D96 VanDerWaalsContact CB-OD2 3.29Å; S71-D96 WeakPolarHBondContact CB-OD2 3.48Å; S71-D96 PolarHBondContact N-OD1 2.83Å; S71-D96 PolarHBondContact OG-OD1 2.99Å; S71-D96 PolarHBondContact OG-OD2 3.23Å | ||
| 72 | A | 86.6 | Confident | 85.3 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 65% | 0.653 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.5 | -31.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E76 | A72-E76 WeakPolarHBondContact O-CB 3.47Å; A72-E76 PolarHBondContact O-N 3Å |
| 73 | L | 83 | Confident | 83 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 175.2 | 179.3 | 64.4 | 0 | 0 | 0 | 111.2 | S71 T77 | S71-L73 PolarHBondContact O-N 2.77Å; S71-L73 PolarHBondContact OG-N 3.39Å; L73-T77 VanDerWaalsContact O-CB 3.25Å; L73-T77 WeakPolarHBondContact O-CB 3.31Å; L73-T77 PolarHBondContact O-N 3.43Å; L73-T77 PolarHBondContact O-OG1 2.96Å |
| 74 | A | 85 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S71 E76 T77 V78 D96 | S71-A74 PolarHBondContact O-N 2.8Å; S71-A74 PolarHBondContact OG-N 2.95Å; S71-A74 VanDerWaalsContact OG-N 3.11Å; A74-E76 PolarHBondContact O-N 3.13Å; A74-T77 WeakPolarHBondContact O-CB 3.33Å; A74-T77 PolarHBondContact O-N 2.88Å; A74-T77 VanDerWaalsContact O-N 3.08Å; A74-V78 WeakPolarHBondContact O-CG1 3.36Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.13Å; A74-D96 HydrophobicContact CB-CB 3.89Å; A74-D96 VanDerWaalsContact CB-CG 3.41Å; A74-D96 WeakPolarHBondContact CB-OD1 3.27Å |
| 75 | E | 87.7 | Confident | 78.6 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 175.6 | -176.1 | 174.8 | -173.1 | 0 | 0 | 111.5 | A67 K68 S71 T77 L79 | A67-E75 HydrophobicContact CB-CG 4.07Å; A67-E75 WeakPolarHBondContact O-CB 3.43Å; K68-E75 WeakPolarHBondContact CG-OE1 3.42Å; S71-E75 PolarHBondContact O-N 3.18Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 2.97Å; E75-L79 HydrophobicContact CG-CD1 3.74Å; E75-L79 HydrophobicContact CG-CG 4.46Å; E75-L79 VanDerWaalsContact O-CB 3.31Å; E75-L79 WeakPolarHBondContact O-CB 3.38Å; E75-L79 VanDerWaalsContact O-CG 3.32Å; E75-L79 WeakPolarHBondContact O-CG 3.31Å; E75-L79 PolarHBondContact O-N 3.01Å; E75-L79 VanDerWaalsContact O-N 3.09Å |
| 76 | E | 83.3 | Confident | 76.7 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.7 | -177.7 | 176 | -174.5 | 0 | 0 | 111.1 | A72 A74 S80 | A72-E76 WeakPolarHBondContact O-CB 3.47Å; A72-E76 PolarHBondContact O-N 3Å; A74-E76 PolarHBondContact O-N 3.13Å; E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 3.48Å; E76-S80 PolarHBondContact O-OG 3.03Å |
| 77 | T | 80.5 | Confident | 74.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -56 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | L73 A74 E75 L79 S80 R86 Y92 L142 | L73-T77 VanDerWaalsContact O-CB 3.25Å; L73-T77 WeakPolarHBondContact O-CB 3.31Å; L73-T77 PolarHBondContact O-N 3.43Å; L73-T77 PolarHBondContact O-OG1 2.96Å; A74-T77 WeakPolarHBondContact O-CB 3.33Å; A74-T77 PolarHBondContact O-N 2.88Å; A74-T77 VanDerWaalsContact O-N 3.08Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 2.97Å; T77-L79 PolarHBondContact O-N 3.07Å; T77-S80 PolarHBondContact O-N 3.33Å; T77-S80 PolarHBondContact O-OG 3.12Å; T77-R86 VanDerWaalsContact CB-NH1 3.28Å; T77-R86 PolarHBondContact OG1-NH1 3.39Å; T77-Y92 WeakPolarHBondContact CG2-OH 3.43Å; T77-L142 HydrophobicContact CG2-CD2 4.25Å |
| 78 | V | 86.3 | Confident | 72.9 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.9 | -26.8 | -173.3 | -60 | 0 | 0 | 0 | 0 | 113 | A67 A74 V99 V100 I103 Y107 L142 | A67-V78 HydrophobicContact CB-CG2 3.62Å; A74-V78 WeakPolarHBondContact O-CG1 3.36Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.13Å; V78-V99 HydrophobicContact CG1-CG1 4.35Å; V78-V99 HydrophobicContact CG2-CG1 4.43Å; V78-V100 HydrophobicContact CG1-CG2 4Å; V78-I103 HydrophobicContact CB-CB 4.33Å; V78-I103 HydrophobicContact CB-CD1 3.59Å; V78-I103 HydrophobicContact CB-CG2 4.03Å; V78-I103 HydrophobicContact CG1-CB 4.48Å; V78-I103 HydrophobicContact CG1-CD1 4.02Å; V78-I103 HydrophobicContact CG2-CD1 3.27Å; V78-Y107 PolarHBondContact O-OH 2.68Å; V78-L142 HydrophobicContact CG1-CD1 4.45Å; V78-L142 HydrophobicContact CG1-CD2 4.13Å |
| 79 | L | 86.3 | Confident | 71.4 | Confident | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -93.9 | -13.9 | 179 | -60.6 | -177.7 | 0 | 0 | 0 | 113.6 | I63 A67 E75 T77 | I63-L79 HydrophobicContact CG2-CD2 3.65Å; A67-L79 HydrophobicContact CB-CD1 3.93Å; A67-L79 HydrophobicContact CB-CD2 3.99Å; A67-L79 HydrophobicContact CB-CG 3.87Å; E75-L79 HydrophobicContact CG-CD1 3.74Å; E75-L79 HydrophobicContact CG-CG 4.46Å; E75-L79 VanDerWaalsContact O-CB 3.31Å; E75-L79 WeakPolarHBondContact O-CB 3.38Å; E75-L79 VanDerWaalsContact O-CG 3.32Å; E75-L79 WeakPolarHBondContact O-CG 3.31Å; E75-L79 PolarHBondContact O-N 3.01Å; E75-L79 VanDerWaalsContact O-N 3.09Å; T77-L79 PolarHBondContact O-N 3.07Å |
| 80 | S | 73.9 | Confident | 70.3 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -67.2 | 143.2 | 176.8 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | E76 T77 P82 R86 | E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 3.48Å; E76-S80 PolarHBondContact O-OG 3.03Å; T77-S80 PolarHBondContact O-N 3.33Å; T77-S80 PolarHBondContact O-OG 3.12Å; S80-P82 WeakPolarHBondContact O-CD 3.3Å; S80-R86 PolarHBondContact OG-NH2 3.35Å |
| 81 | V | 66.3 | Low | 69.5 | Low | 78 Ų | 78 | 56.6 Ų | 56.6 | 47% | 0.473 | 31% | 0.31 | S | S | . | . | trans | -64 | 125.3 | 161 | -178.1 | 0 | 0 | 0 | 0 | 106.2 | T83 Y138 | V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 3.44Å; V81-Y138 HydrophobicContact CG1-CE1 4.2Å; V81-Y138 WeakPolarHBondContact CG1-OH 3.49Å; V81-Y138 VanDerWaalsContact CG2-OH 3.29Å; V81-Y138 WeakPolarHBondContact CG2-OH 3.47Å | ||
| 82 | P | 58.9 | Low | 68.9 | Low | 27 Ų | 27 | 57.3 Ų | 57.3 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | trans | -59.6 | 100 | 170 | -17.6 | 31.4 | 0 | 0 | 0 | 107.5 | S80 Y138 S141 | S80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-Y138 HydrophobicContact CG-CD1 3.53Å; P82-Y138 HydrophobicContact CG-CE1 3.95Å; P82-Y138 HydrophobicContact CG-CG 4.15Å; P82-S141 VanDerWaalsContact CG-OG 3.28Å; P82-S141 WeakPolarHBondContact CG-OG 3.31Å | ||
| 83 | T | 46.5 | Very low | 68.5 | Low | 62 Ų | 62 | 59.6 Ų | 59.6 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -73.2 | -20.3 | 172.5 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | V81 I438 | V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 3.44Å; T83-I438 VanDerWaalsContact CB-O 3.31Å; T83-I438 WeakPolarHBondContact CB-O 3.31Å; T83-I438 WeakPolarHBondContact CG2-O 3.44Å; T83-I438 PolarHBondContact OG1-O 2.86Å |
| 84 | S | 45.5 | Very low | 68.2 | Low | 16 Ų | 16 | 59.6 Ų | 59.6 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -146.4 | 142.4 | 159.4 | 45.4 | 0 | 0 | 0 | 0 | 105.4 | R86 | S84-R86 PolarHBondContact O-N 2.9Å; S84-R86 VanDerWaalsContact O-N 3.16Å |
| 85 | L | 48.4 | Very low | 67.9 | Low | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | trans | -54.9 | 123.8 | 172.2 | -80.7 | 143.2 | 0 | 0 | 0 | 108 | W87 Q137 L140 A423 | L85-W87 HydrophobicContact CB-CD2 4.12Å; L85-W87 HydrophobicContact CB-CG 4.06Å; L85-W87 HydrophobicContact CB-CZ2 3.92Å; L85-W87 HydrophobicContact CD1-CZ2 3.48Å; L85-W87 VanDerWaalsContact CD1-CZ2 3.48Å; L85-W87 HydrophobicContact CD2-CH2 4.34Å; L85-W87 HydrophobicContact CD2-CZ2 3.59Å; L85-W87 HydrophobicContact CG-CZ2 3.86Å; L85-W87 PolarHBondContact O-N 3.36Å; L85-Q137 WeakPolarHBondContact CD2-O 3.11Å; L85-L140 HydrophobicContact CD2-CB 4.07Å; L85-L140 HydrophobicContact CD2-CD2 4.25Å; L85-L140 HydrophobicContact CD2-CG 4.03Å; L85-A423 HydrophobicContact CB-CB 4.28Å; L85-A423 HydrophobicContact CD1-CB 3.63Å; L85-A423 VanDerWaalsContact CD1-O 3.27Å; L85-A423 WeakPolarHBondContact CD1-O 3.31Å; L85-A423 HydrophobicContact CG-CB 4.31Å | ||
| 86 | R | 54.1 | Low | 67.9 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | trans | -78.1 | 74.2 | -178.4 | -63.7 | -179.8 | -176.3 | -143.9 | 5.8 | 109.2 | T77 S80 S84 N88 S141 | T77-R86 VanDerWaalsContact CB-NH1 3.28Å; T77-R86 PolarHBondContact OG1-NH1 3.39Å; S80-R86 PolarHBondContact OG-NH2 3.35Å; S84-R86 PolarHBondContact O-N 2.9Å; S84-R86 VanDerWaalsContact O-N 3.16Å; R86-N88 VanDerWaalsContact C-N 3.3Å; R86-N88 PolarHBondContact O-N 3.09Å; R86-S141 VanDerWaalsContact O-O 3.09Å | ||
| 87 | W | 53.8 | Low | 68.1 | Low | 19 Ų | 19 | 60.3 Ų | 60.3 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | trans | -81.9 | -5.6 | -173 | -64.1 | 108.2 | 0 | 0 | 0 | 114.4 | L85 L140 P144 F150 A423 F426 | L85-W87 HydrophobicContact CB-CD2 4.12Å; L85-W87 HydrophobicContact CB-CG 4.06Å; L85-W87 HydrophobicContact CB-CZ2 3.92Å; L85-W87 HydrophobicContact CD1-CZ2 3.48Å; L85-W87 VanDerWaalsContact CD1-CZ2 3.48Å; L85-W87 HydrophobicContact CD2-CH2 4.34Å; L85-W87 HydrophobicContact CD2-CZ2 3.59Å; L85-W87 HydrophobicContact CG-CZ2 3.86Å; L85-W87 PolarHBondContact O-N 3.36Å; W87-L140 HydrophobicContact CH2-CD1 3.56Å; W87-L140 HydrophobicContact CH2-CD2 3.52Å; W87-L140 HydrophobicContact CH2-CG 3.29Å; W87-L140 HydrophobicContact CZ2-CD2 3.97Å; W87-L140 HydrophobicContact CZ2-CG 3.95Å; W87-L140 HydrophobicContact CZ3-CD1 3.9Å; W87-L140 HydrophobicContact CZ3-CG 4.03Å; W87-P144 HydrophobicContact CD2-CB 4.01Å; W87-P144 HydrophobicContact CE3-CB 2.99Å; W87-P144 HydrophobicContact CE3-CG 4.27Å; W87-P144 HydrophobicContact CZ3-CB 3.29Å; W87-F150 HydrophobicContact CH2-CE1 4.37Å; W87-F150 AromaticContact CH2-CZ 3.86Å; W87-F150 HydrophobicContact CH2-CZ 3.86Å; W87-F150 HydrophobicContact CZ3-CZ 4.15Å; W87-A423 PolarHBondContact NE1-O 2.74Å; W87-F426 HydrophobicContact CB-CD1 3.14Å; W87-F426 HydrophobicContact CB-CE1 3.08Å; W87-F426 HydrophobicContact CB-CE2 4.45Å; W87-F426 HydrophobicContact CB-CG 3.91Å; W87-F426 HydrophobicContact CB-CZ 3.78Å; W87-F426 AromaticContact CD1-CD1 3.48Å; W87-F426 VanDerWaalsContact CD1-CD1 3.48Å; W87-F426 AromaticContact CD1-CG 3.4Å; W87-F426 VanDerWaalsContact CD1-CG 3.4Å; W87-F426 HydrophobicContact CD2-CB 4.48Å; W87-F426 AromaticContact CD2-CD1 3.89Å; W87-F426 HydrophobicContact CD2-CD1 3.89Å; W87-F426 HydrophobicContact CD2-CG 4.45Å; W87-F426 HydrophobicContact CE3-CD1 4.44Å; W87-F426 HydrophobicContact CG-CB 4.12Å; W87-F426 AromaticContact CG-CD1 3.25Å; W87-F426 HydrophobicContact CG-CD1 3.25Å; W87-F426 AromaticContact CG-CE1 3.79Å; W87-F426 HydrophobicContact CG-CE1 3.79Å; W87-F426 AromaticContact CG-CG 3.72Å; W87-F426 HydrophobicContact CG-CG 3.72Å; W87-F426 AromaticContact NE1-CG 3.96Å | ||
| 88 | N | 50.4 | Low | 68.5 | Low | 80 Ų | 80 | 61 Ų | 61 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -83.8 | 131.7 | 171.3 | -74.3 | -12.6 | 0 | 0 | 0 | 109.1 | R86 T90 Q435 | R86-N88 VanDerWaalsContact C-N 3.3Å; R86-N88 PolarHBondContact O-N 3.09Å; N88-T90 PolarHBondContact O-N 3.32Å; N88-Q435 VanDerWaalsContact CB-OE1 3.3Å; N88-Q435 PolarHBondContact ND2-NE2 3.09Å; N88-Q435 PolarHBondContact ND2-OE1 3.28Å; N88-Q435 PolarHBondContact OD1-NE2 3.05Å |
| 89 | K | 59.2 | Low | 68.7 | Low | 174 Ų | 174 | 60.9 Ų | 60.9 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | trans | -55.2 | 106.4 | 169.6 | -166.6 | 175.1 | -178.5 | 178.4 | 0 | 107.9 | ||||
| 90 | T | 65.1 | Low | 68.8 | Low | 55 Ų | 55 | 58.2 Ų | 58.2 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -80.5 | 120.2 | 168.2 | -54.1 | 0 | 0 | 0 | 0 | 105.1 | N88 Y92 | N88-T90 PolarHBondContact O-N 3.32Å; T90-Y92 VanDerWaalsContact C-N 3.32Å; T90-Y92 HydrophobicContact CG2-CD1 4.16Å; T90-Y92 HydrophobicContact CG2-CE1 3.75Å; T90-Y92 HydrophobicContact CG2-CE2 4.24Å; T90-Y92 WeakPolarHBondContact O-CD2 3.4Å; T90-Y92 PolarHBondContact O-N 2.89Å | ||
| 91 | D | 70.5 | Confident | 69.6 | Low | 141 Ų | 141 | 58.3 Ų | 58.3 | 75% | 0.754 | 31% | 0.308 | S | S | * | . | trans | -73.1 | 94.7 | 174.9 | -70.1 | -33.5 | 0 | 0 | 0 | 107.8 | ||||
| 92 | Y | 76.1 | Confident | 70.8 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -78.9 | 146 | 177.6 | -68.3 | -69.3 | 0 | 0 | 0 | 110.8 | T77 T90 D96 V100 | T77-Y92 WeakPolarHBondContact CG2-OH 3.43Å; T90-Y92 VanDerWaalsContact C-N 3.32Å; T90-Y92 HydrophobicContact CG2-CD1 4.16Å; T90-Y92 HydrophobicContact CG2-CE1 3.75Å; T90-Y92 HydrophobicContact CG2-CE2 4.24Å; T90-Y92 WeakPolarHBondContact O-CD2 3.4Å; T90-Y92 PolarHBondContact O-N 2.89Å; Y92-D96 HydrophobicContact CD1-CB 3.84Å; Y92-D96 HydrophobicContact CG-CB 4.14Å; Y92-V100 HydrophobicContact CD1-CG2 4.33Å; Y92-V100 HydrophobicContact CD2-CG2 4.04Å; Y92-V100 HydrophobicContact CE1-CG2 4.07Å; Y92-V100 HydrophobicContact CE2-CB 4.48Å; Y92-V100 HydrophobicContact CE2-CG1 4.27Å; Y92-V100 HydrophobicContact CE2-CG2 3.75Å; Y92-V100 HydrophobicContact CG-CG2 4.32Å | ||
| 93 | E | 78.3 | Confident | 72.5 | Confident | 126 Ų | 126 | 53.3 Ų | 53.3 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | trans | -61.4 | 154.8 | 164.5 | -64.2 | -175.1 | 167.3 | 0 | 0 | 110.1 | Q95 D96 V97 | E93-Q95 HydrophobicContact CB-CG 4.22Å; E93-Q95 PolarHBondContact O-N 3.39Å; E93-Q95 PolarHBondContact OE2-NE2 3.1Å; E93-D96 WeakPolarHBondContact O-CA 3.18Å; E93-D96 WeakPolarHBondContact O-CB 3.49Å; E93-D96 PolarHBondContact O-N 2.98Å; E93-V97 PolarHBondContact O-N 3.41Å | ||
| 94 | S | 77.1 | Confident | 74.7 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52.9 | -33.4 | -175.2 | -51.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 95 | Q | 78 | Confident | 77 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 175.5 | 62.8 | -176.3 | -9.1 | 0 | 0 | 113.2 | E93 | E93-Q95 HydrophobicContact CB-CG 4.22Å; E93-Q95 PolarHBondContact O-N 3.39Å; E93-Q95 PolarHBondContact OE2-NE2 3.1Å |
| 96 | D | 87.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -80.1 | -31.4 | -178.1 | -74.3 | -13.8 | 0 | 0 | 0 | 111.3 | G70 S71 A74 Y92 E93 F98 V99 V100 | G70-D96 VanDerWaalsContact CA-OD1 3.28Å; G70-D96 WeakPolarHBondContact CA-OD1 3.21Å; S71-D96 VanDerWaalsContact CB-OD2 3.29Å; S71-D96 WeakPolarHBondContact CB-OD2 3.48Å; S71-D96 PolarHBondContact N-OD1 2.83Å; S71-D96 PolarHBondContact OG-OD1 2.99Å; S71-D96 PolarHBondContact OG-OD2 3.23Å; A74-D96 HydrophobicContact CB-CB 3.89Å; A74-D96 VanDerWaalsContact CB-CG 3.41Å; A74-D96 WeakPolarHBondContact CB-OD1 3.27Å; Y92-D96 HydrophobicContact CD1-CB 3.84Å; Y92-D96 HydrophobicContact CG-CB 4.14Å; E93-D96 WeakPolarHBondContact O-CA 3.18Å; E93-D96 WeakPolarHBondContact O-CB 3.49Å; E93-D96 PolarHBondContact O-N 2.98Å; D96-F98 VanDerWaalsContact C-N 3.26Å; D96-F98 PolarHBondContact O-N 2.99Å; D96-V99 PolarHBondContact O-N 2.78Å; D96-V99 VanDerWaalsContact O-N 3.12Å; D96-V100 VanDerWaalsContact O-CG2 3.31Å; D96-V100 WeakPolarHBondContact O-CG2 3.39Å; D96-V100 PolarHBondContact O-N 3.44Å |
| 97 | V | 87.3 | Confident | 81.2 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.9 | -45.7 | 172 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | E93 V99 V100 E101 | E93-V97 PolarHBondContact O-N 3.41Å; V97-V99 PolarHBondContact O-N 2.72Å; V97-V100 PolarHBondContact O-N 3.15Å; V97-E101 WeakPolarHBondContact O-CB 3.24Å; V97-E101 PolarHBondContact O-N 3.37Å |
| 98 | F | 88.6 | Confident | 83.2 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.6 | 160.8 | -101.5 | 0 | 0 | 0 | 112.2 | P10 A14 V66 D96 V100 E101 M102 | P10-F98 HydrophobicContact CB-CD1 3.4Å; P10-F98 HydrophobicContact CB-CD2 4.03Å; P10-F98 HydrophobicContact CB-CE1 3.29Å; P10-F98 HydrophobicContact CB-CE2 3.92Å; P10-F98 HydrophobicContact CB-CG 3.77Å; P10-F98 HydrophobicContact CB-CZ 3.55Å; P10-F98 WeakPolarHBondContact O-CD2 3.44Å; P10-F98 WeakPolarHBondContact O-CE2 3.39Å; A14-F98 HydrophobicContact CB-CE2 3.49Å; A14-F98 VanDerWaalsContact CB-CE2 3.49Å; A14-F98 HydrophobicContact CB-CZ 3.84Å; V66-F98 HydrophobicContact CG1-CE1 4.35Å; D96-F98 VanDerWaalsContact C-N 3.26Å; D96-F98 PolarHBondContact O-N 2.99Å; F98-V100 VanDerWaalsContact C-N 3.33Å; F98-V100 PolarHBondContact O-N 3.05Å; F98-E101 PolarHBondContact O-N 3.43Å; F98-M102 HydrophobicContact CD2-CE 4.46Å; F98-M102 HydrophobicContact CE2-CB 4.27Å; F98-M102 HydrophobicContact CE2-CE 3.46Å; F98-M102 VanDerWaalsContact CE2-CE 3.46Å; F98-M102 HydrophobicContact CZ-CB 4.35Å; F98-M102 HydrophobicContact CZ-CE 3.91Å; F98-M102 HydrophobicContact CZ-CG 4.4Å; F98-M102 VanDerWaalsContact O-CB 3.26Å; F98-M102 WeakPolarHBondContact O-CB 3.18Å; F98-M102 PolarHBondContact O-N 2.91Å |
| 99 | V | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | -178.5 | 171.5 | 0 | 0 | 0 | 0 | 111 | V66 V69 V78 D96 V97 I103 | V66-V99 HydrophobicContact CG1-CG1 4.36Å; V69-V99 HydrophobicContact CB-CG2 4.34Å; V78-V99 HydrophobicContact CG1-CG1 4.35Å; V78-V99 HydrophobicContact CG2-CG1 4.43Å; D96-V99 PolarHBondContact O-N 2.78Å; D96-V99 VanDerWaalsContact O-N 3.12Å; V97-V99 PolarHBondContact O-N 2.72Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 WeakPolarHBondContact O-CB 3.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3Å |
| 100 | V | 89.7 | Confident | 87 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | V78 Y92 D96 V97 F98 M102 I103 Y104 L142 | V78-V100 HydrophobicContact CG1-CG2 4Å; Y92-V100 HydrophobicContact CD1-CG2 4.33Å; Y92-V100 HydrophobicContact CD2-CG2 4.04Å; Y92-V100 HydrophobicContact CE1-CG2 4.07Å; Y92-V100 HydrophobicContact CE2-CB 4.48Å; Y92-V100 HydrophobicContact CE2-CG1 4.27Å; Y92-V100 HydrophobicContact CE2-CG2 3.75Å; Y92-V100 HydrophobicContact CG-CG2 4.32Å; D96-V100 VanDerWaalsContact O-CG2 3.31Å; D96-V100 WeakPolarHBondContact O-CG2 3.39Å; D96-V100 PolarHBondContact O-N 3.44Å; V97-V100 PolarHBondContact O-N 3.15Å; F98-V100 VanDerWaalsContact C-N 3.33Å; F98-V100 PolarHBondContact O-N 3.05Å; V100-M102 PolarHBondContact O-N 3.22Å; V100-I103 PolarHBondContact O-N 2.96Å; V100-Y104 VanDerWaalsContact O-CB 3.23Å; V100-Y104 WeakPolarHBondContact O-CB 3.48Å; V100-Y104 PolarHBondContact O-N 3.19Å; V100-L142 HydrophobicContact CG1-CB 4.1Å |
| 101 | E | 90.4 | Very high | 88.4 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 16% | 0.164 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 177.7 | -172.4 | 68.9 | -162.8 | 0 | 0 | 111.7 | I15 V97 F98 Y104 H105 K143 | I15-E101 HydrophobicContact CD1-CG 3.86Å; V97-E101 WeakPolarHBondContact O-CB 3.24Å; V97-E101 PolarHBondContact O-N 3.37Å; F98-E101 PolarHBondContact O-N 3.43Å; E101-Y104 WeakPolarHBondContact O-CB 3.47Å; E101-Y104 PolarHBondContact O-N 3.44Å; E101-H105 PolarHBondContact O-N 3.23Å; E101-H105 IonicContact OE1-CE1 3.95Å; E101-H105 PolarHBondContact OE1-CE1 2.96Å; E101-H105 IonicContact OE1-NE2 3.38Å; E101-K143 IonicContact OE1-NZ 3.67Å; E101-K143 PolarHBondContact OE1-NZ 2.89Å; E101-K143 VanDerWaalsContact OE1-NZ 3.17Å; E101-K143 VanDerWaalsContact OE2-CD 3.24Å; E101-K143 WeakPolarHBondContact OE2-CD 3.35Å; E101-K143 WeakPolarHBondContact OE2-CE 3.38Å; E101-K143 IonicContact OE2-NZ 3.79Å; E101-K143 PolarHBondContact OE2-NZ 2.78Å |
| 102 | M | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -47 | -178.6 | -173.5 | 58.7 | 66.5 | 0 | 0 | 111.6 | I6 A14 I15 E18 V66 F98 V100 Y104 H105 M106 | I6-M102 HydrophobicContact CG2-CE 4.29Å; I6-M102 HydrophobicContact CG2-SD 4.35Å; A14-M102 VanDerWaalsContact C-CE 3.49Å; A14-M102 HydrophobicContact CB-CE 3.78Å; I15-M102 HydrophobicContact CG1-CE 3.94Å; E18-M102 HydrophobicContact CB-CE 4.25Å; E18-M102 HydrophobicContact CB-SD 3.67Å; E18-M102 HydrophobicContact CG-SD 3.65Å; V66-M102 HydrophobicContact CG1-CB 3.93Å; V66-M102 HydrophobicContact CG1-CG 3.78Å; V66-M102 HydrophobicContact CG2-CG 4.17Å; F98-M102 HydrophobicContact CD2-CE 4.46Å; F98-M102 HydrophobicContact CE2-CB 4.27Å; F98-M102 HydrophobicContact CE2-CE 3.46Å; F98-M102 VanDerWaalsContact CE2-CE 3.46Å; F98-M102 HydrophobicContact CZ-CB 4.35Å; F98-M102 HydrophobicContact CZ-CE 3.91Å; F98-M102 HydrophobicContact CZ-CG 4.4Å; F98-M102 VanDerWaalsContact O-CB 3.26Å; F98-M102 WeakPolarHBondContact O-CB 3.18Å; F98-M102 PolarHBondContact O-N 2.91Å; V100-M102 PolarHBondContact O-N 3.22Å; M102-Y104 VanDerWaalsContact C-N 3.33Å; M102-Y104 PolarHBondContact O-N 3.37Å; M102-H105 PolarHBondContact O-N 3.36Å; M102-M106 HydrophobicContact CG-CE 3.45Å; M102-M106 VanDerWaalsContact CG-CE 3.45Å; M102-M106 HydrophobicContact CG-SD 4.31Å; M102-M106 VanDerWaalsContact O-CG 3.29Å; M102-M106 WeakPolarHBondContact O-CG 3.4Å; M102-M106 PolarHBondContact O-N 3.37Å; M102-M106 VanDerWaalsContact O-N 3.07Å; M102-M106 HydrophobicContact SD-CE 3.55Å; M102-M106 VanDerWaalsContact SD-CE 3.55Å |
| 103 | I | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.1 | -31.6 | -179 | -68 | 171.1 | 0 | 0 | 0 | 111.5 | I63 V66 A67 V78 V99 V100 M106 Y107 L142 | I63-I103 HydrophobicContact CG1-CG2 4.48Å; I63-I103 HydrophobicContact CG2-CD1 4.29Å; I63-I103 HydrophobicContact CG2-CG1 4.32Å; I63-I103 HydrophobicContact CG2-CG2 4.12Å; V66-I103 HydrophobicContact CB-CG1 4.4Å; V66-I103 HydrophobicContact CG1-CD1 4.23Å; V66-I103 HydrophobicContact CG1-CG1 4.04Å; A67-I103 HydrophobicContact CB-CD1 3.82Å; V78-I103 HydrophobicContact CB-CB 4.33Å; V78-I103 HydrophobicContact CB-CD1 3.59Å; V78-I103 HydrophobicContact CB-CG2 4.03Å; V78-I103 HydrophobicContact CG1-CB 4.48Å; V78-I103 HydrophobicContact CG1-CD1 4.02Å; V78-I103 HydrophobicContact CG2-CD1 3.27Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 WeakPolarHBondContact O-CB 3.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3Å; V100-I103 PolarHBondContact O-N 2.96Å; I103-M106 PolarHBondContact O-N 2.87Å; I103-Y107 HydrophobicContact CG2-CD2 3.65Å; I103-Y107 HydrophobicContact CG2-CE2 3.35Å; I103-Y107 HydrophobicContact CG2-CG 4.49Å; I103-Y107 WeakPolarHBondContact O-CD2 3.31Å; I103-Y107 PolarHBondContact O-N 3.46Å; I103-L142 HydrophobicContact CB-CD1 4.43Å; I103-L142 HydrophobicContact CG2-CD1 4Å |
| 104 | Y | 93.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -52.9 | -53.5 | 168.7 | 160.3 | -97.8 | 0 | 0 | 0 | 111.6 | V100 E101 M102 M106 Y107 I108 A139 K143 E146 T148 P149 | V100-Y104 VanDerWaalsContact O-CB 3.23Å; V100-Y104 WeakPolarHBondContact O-CB 3.48Å; V100-Y104 PolarHBondContact O-N 3.19Å; E101-Y104 WeakPolarHBondContact O-CB 3.47Å; E101-Y104 PolarHBondContact O-N 3.44Å; M102-Y104 VanDerWaalsContact C-N 3.33Å; M102-Y104 PolarHBondContact O-N 3.37Å; Y104-M106 VanDerWaalsContact C-N 3.35Å; Y104-M106 PolarHBondContact O-N 2.86Å; Y104-Y107 PolarHBondContact O-N 3.15Å; Y104-I108 HydrophobicContact CE2-CG1 4.4Å; Y104-I108 PolarHBondContact O-N 2.98Å; Y104-A139 HydrophobicContact CD2-CB 3.84Å; Y104-A139 WeakPolarHBondContact CD2-O 3.25Å; Y104-A139 HydrophobicContact CE2-CB 4.08Å; Y104-K143 HydrophobicContact CD1-CD 3.72Å; Y104-K143 HydrophobicContact CD1-CG 4.42Å; Y104-K143 HydrophobicContact CD2-CB 3.73Å; Y104-K143 HydrophobicContact CD2-CD 4.01Å; Y104-K143 HydrophobicContact CD2-CG 3.84Å; Y104-K143 HydrophobicContact CE1-CD 4.1Å; Y104-K143 HydrophobicContact CE2-CB 3.81Å; Y104-K143 HydrophobicContact CE2-CD 4.34Å; Y104-K143 HydrophobicContact CE2-CG 4.33Å; Y104-K143 HydrophobicContact CG-CB 4.28Å; Y104-K143 HydrophobicContact CG-CD 3.69Å; Y104-K143 HydrophobicContact CG-CG 3.89Å; Y104-E146 HydrophobicContact CE2-CB 4.29Å; Y104-E146 WeakPolarHBondContact OH-CB 3.26Å; Y104-T148 WeakPolarHBondContact OH-CB 3.28Å; Y104-P149 HydrophobicContact CE2-CG 3.76Å |
| 105 | H | 93.9 | Very high | 91.5 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 17% | 0.167 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 177.4 | -68.2 | 150.1 | 0 | 0 | 0 | 111.9 | E101 M102 Y107 I108 H109 | E101-H105 PolarHBondContact O-N 3.23Å; E101-H105 IonicContact OE1-CE1 3.95Å; E101-H105 PolarHBondContact OE1-CE1 2.96Å; E101-H105 IonicContact OE1-NE2 3.38Å; M102-H105 PolarHBondContact O-N 3.36Å; H105-Y107 VanDerWaalsContact C-N 3.3Å; H105-Y107 PolarHBondContact O-N 2.91Å; H105-I108 WeakPolarHBondContact O-CB 3.21Å; H105-I108 PolarHBondContact O-N 3.44Å; H105-I108 VanDerWaalsContact O-N 3.12Å; H105-H109 PolarHBondContact O-CD2 3.09Å; H105-H109 VanDerWaalsContact O-CG 3.31Å; H105-H109 PolarHBondContact O-N 3.07Å |
| 106 | M | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 178.5 | -66.1 | 178.8 | -178.3 | 0 | 0 | 112.7 | E18 Y59 L62 I63 V66 M102 I103 Y104 H109 M110 | E18-M106 HydrophobicContact CG-CE 3.96Å; Y59-M106 HydrophobicContact CD1-CB 3.9Å; Y59-M106 HydrophobicContact CD1-CG 3.76Å; Y59-M106 HydrophobicContact CD1-SD 4.49Å; Y59-M106 HydrophobicContact CE1-CB 4.31Å; Y59-M106 HydrophobicContact CE1-CG 3.9Å; L62-M106 HydrophobicContact CB-CE 4.49Å; L62-M106 HydrophobicContact CB-SD 4.38Å; L62-M106 HydrophobicContact CD1-CE 4.49Å; L62-M106 HydrophobicContact CD2-CE 3.33Å; L62-M106 HydrophobicContact CD2-SD 4.16Å; L62-M106 HydrophobicContact CG-CE 3.48Å; L62-M106 VanDerWaalsContact CG-CE 3.48Å; L62-M106 HydrophobicContact CG-SD 3.93Å; I63-M106 HydrophobicContact CD1-CB 3.85Å; I63-M106 HydrophobicContact CG1-CB 3.61Å; I63-M106 HydrophobicContact CG1-CG 4.22Å; I63-M106 HydrophobicContact CG1-SD 3.65Å; V66-M106 HydrophobicContact CG2-CE 4.14Å; M102-M106 HydrophobicContact CG-CE 3.45Å; M102-M106 VanDerWaalsContact CG-CE 3.45Å; M102-M106 HydrophobicContact CG-SD 4.31Å; M102-M106 VanDerWaalsContact O-CG 3.29Å; M102-M106 WeakPolarHBondContact O-CG 3.4Å; M102-M106 PolarHBondContact O-N 3.37Å; M102-M106 VanDerWaalsContact O-N 3.07Å; M102-M106 HydrophobicContact SD-CE 3.55Å; M102-M106 VanDerWaalsContact SD-CE 3.55Å; I103-M106 PolarHBondContact O-N 2.87Å; Y104-M106 VanDerWaalsContact C-N 3.35Å; Y104-M106 PolarHBondContact O-N 2.86Å; M106-H109 PolarHBondContact O-N 2.71Å; M106-M110 WeakPolarHBondContact O-CB 3.36Å; M106-M110 VanDerWaalsContact O-CG 3.32Å; M106-M110 WeakPolarHBondContact O-CG 3.48Å; M106-M110 PolarHBondContact O-N 3.06Å |
| 107 | Y | 95.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 20.6 Ų | 20.6 | 7% | 0.071 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 174.6 | -79.9 | -42.8 | 0 | 0 | 0 | 112.9 | I63 V78 I103 Y104 H105 H109 M110 G111 L135 Y138 L142 | I63-Y107 HydrophobicContact CD1-CD1 4.1Å; I63-Y107 HydrophobicContact CD1-CE1 3.9Å; V78-Y107 PolarHBondContact O-OH 2.68Å; I103-Y107 HydrophobicContact CG2-CD2 3.65Å; I103-Y107 HydrophobicContact CG2-CE2 3.35Å; I103-Y107 HydrophobicContact CG2-CG 4.49Å; I103-Y107 WeakPolarHBondContact O-CD2 3.31Å; I103-Y107 PolarHBondContact O-N 3.46Å; Y104-Y107 PolarHBondContact O-N 3.15Å; H105-Y107 VanDerWaalsContact C-N 3.3Å; H105-Y107 PolarHBondContact O-N 2.91Å; Y107-H109 VanDerWaalsContact C-N 3.34Å; Y107-M110 PolarHBondContact O-N 2.89Å; Y107-G111 PolarHBondContact O-N 2.89Å; Y107-L135 HydrophobicContact CD1-CD2 3.84Å; Y107-L135 HydrophobicContact CE1-CD2 4.28Å; Y107-Y138 HydrophobicContact CD1-CD2 4.18Å; Y107-Y138 AromaticContact CE1-CD2 3.72Å; Y107-Y138 HydrophobicContact CE1-CD2 3.72Å; Y107-Y138 HydrophobicContact CE2-CD2 4.22Å; Y107-Y138 AromaticContact CZ-CD2 3.74Å; Y107-L142 HydrophobicContact CD2-CD1 3.87Å; Y107-L142 HydrophobicContact CE2-CD1 4Å |
| 108 | I | 95.3 | Very high | 92 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.1 | -49 | 171.1 | -63.4 | -60.3 | 0 | 0 | 0 | 110.3 | Y104 H105 G111 D112 Y136 A139 T148 P149 | Y104-I108 HydrophobicContact CE2-CG1 4.4Å; Y104-I108 PolarHBondContact O-N 2.98Å; H105-I108 WeakPolarHBondContact O-CB 3.21Å; H105-I108 PolarHBondContact O-N 3.44Å; H105-I108 VanDerWaalsContact O-N 3.12Å; I108-G111 PolarHBondContact O-N 2.67Å; I108-G111 VanDerWaalsContact O-N 3.17Å; I108-D112 PolarHBondContact O-N 3.44Å; I108-Y136 HydrophobicContact CD1-CD1 3.99Å; I108-Y136 WeakPolarHBondContact O-CE1 3.34Å; I108-A139 HydrophobicContact CD1-CB 3.51Å; I108-A139 HydrophobicContact CG1-CB 3.9Å; I108-T148 HydrophobicContact CD1-CG2 4.42Å; I108-T148 HydrophobicContact CG2-CG2 4.36Å; I108-P149 HydrophobicContact CD1-CB 4.15Å; I108-P149 HydrophobicContact CD1-CG 4.02Å |
| 109 | H | 95.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 9% | 0.093 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | -178.3 | -63.4 | -31.9 | 0 | 0 | 0 | 113 | E18 W22 Y59 H105 M106 Y107 G111 D112 I113 | E18-H109 IonicContact OE1-CD2 2.94Å; E18-H109 PolarHBondContact OE1-CD2 2.76Å; E18-H109 IonicContact OE1-NE2 3.68Å; E18-H109 IonicContact OE2-CD2 2.61Å; E18-H109 IonicContact OE2-NE2 3.98Å; E18-H109 PolarHBondContact OE2-NE2 3.14Å; W22-H109 AromaticContact CD1-CE1 3.27Å; W22-H109 AromaticContact CD1-ND1 3.57Å; W22-H109 AromaticContact CD1-NE2 3.89Å; W22-H109 HydrophobicContact CD2-CB 4.02Å; W22-H109 AromaticContact CD2-CE1 3.74Å; W22-H109 AromaticContact CD2-CG 3.52Å; W22-H109 AromaticContact CD2-ND1 3.28Å; W22-H109 VanDerWaalsContact CD2-ND1 3.28Å; W22-H109 AromaticContact CE2-CE1 3.78Å; W22-H109 AromaticContact CE2-CG 3.91Å; W22-H109 AromaticContact CE2-ND1 3.22Å; W22-H109 HydrophobicContact CE3-CB 3.65Å; W22-H109 AromaticContact CE3-CG 3.68Å; W22-H109 AromaticContact CE3-ND1 3.87Å; W22-H109 AromaticContact CG-CD2 3.95Å; W22-H109 AromaticContact CG-CE1 3.41Å; W22-H109 VanDerWaalsContact CG-CE1 3.41Å; W22-H109 AromaticContact CG-CG 3.83Å; W22-H109 AromaticContact CG-ND1 3.5Å; W22-H109 AromaticContact CG-NE2 3.7Å; W22-H109 HydrophobicContact CH2-CB 4.13Å; W22-H109 HydrophobicContact CZ2-CB 4.47Å; W22-H109 AromaticContact CZ2-ND1 3.75Å; W22-H109 HydrophobicContact CZ3-CB 3.72Å; W22-H109 AromaticContact NE1-CE1 3.49Å; W22-H109 PolarHBondContact NE1-CE1 3.21Å; W22-H109 AromaticContact NE1-ND1 3.4Å; W22-H109 PolarHBondContact NE1-ND1 3.12Å; Y59-H109 HydrophobicContact CE1-CB 4.1Å; Y59-H109 HydrophobicContact CE2-CB 4.23Å; H105-H109 PolarHBondContact O-CD2 3.09Å; H105-H109 VanDerWaalsContact O-CG 3.31Å; H105-H109 PolarHBondContact O-N 3.07Å; M106-H109 PolarHBondContact O-N 2.71Å; Y107-H109 VanDerWaalsContact C-N 3.34Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.09Å; H109-D112 PolarHBondContact O-N 2.9Å; H109-I113 VanDerWaalsContact O-CG1 3.3Å; H109-I113 WeakPolarHBondContact O-CG1 3.26Å; H109-I113 PolarHBondContact O-N 3.23Å |
| 110 | M | 95 | Very high | 91.5 | Very high | 20 Ų | 20 | 19.4 Ų | 19.4 | 10% | 0.099 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 172.1 | -74.6 | -169.6 | 73 | 0 | 0 | 111.8 | T56 Y59 F60 I63 M106 Y107 D112 I113 V114 L135 | T56-M110 HydrophobicContact CG2-CE 4.32Å; Y59-M110 HydrophobicContact CG-CG 4.3Å; F60-M110 HydrophobicContact CB-CE 4.38Å; I63-M110 HydrophobicContact CD1-CG 4.49Å; I63-M110 HydrophobicContact CD1-SD 3.42Å; I63-M110 WeakPolarHBondContact CD1-SD 3.33Å; M106-M110 WeakPolarHBondContact O-CB 3.36Å; M106-M110 VanDerWaalsContact O-CG 3.32Å; M106-M110 WeakPolarHBondContact O-CG 3.48Å; M106-M110 PolarHBondContact O-N 3.06Å; Y107-M110 PolarHBondContact O-N 2.89Å; M110-D112 VanDerWaalsContact C-N 3.34Å; M110-I113 PolarHBondContact O-N 3.41Å; M110-V114 WeakPolarHBondContact O-CG2 3.16Å; M110-V114 PolarHBondContact O-N 3.47Å; M110-V114 VanDerWaalsContact O-N 3.12Å; M110-L135 HydrophobicContact CB-CD1 3.92Å; M110-L135 HydrophobicContact CB-CD2 4.03Å; M110-L135 HydrophobicContact CB-CG 4.5Å; M110-L135 HydrophobicContact CE-CD2 4.41Å; M110-L135 HydrophobicContact SD-CD2 4.44Å |
| 111 | G | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Y107 I108 H109 V114 R115 Y136 | Y107-G111 PolarHBondContact O-N 2.89Å; I108-G111 PolarHBondContact O-N 2.67Å; I108-G111 VanDerWaalsContact O-N 3.17Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.09Å; G111-V114 WeakPolarHBondContact O-CB 3.41Å; G111-V114 PolarHBondContact O-N 3.24Å; G111-R115 PolarHBondContact O-N 3.13Å; G111-Y136 PolarHBondContact O-OH 2.98Å |
| 112 | D | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.1 | -75.4 | -17.9 | 0 | 0 | 0 | 112.3 | W22 I108 H109 M110 V114 R115 Y116 Y136 R152 | W22-D112 HydrophobicContact CH2-CB 3.68Å; W22-D112 HydrophobicContact CZ2-CB 3.72Å; I108-D112 PolarHBondContact O-N 3.44Å; H109-D112 PolarHBondContact O-N 2.9Å; M110-D112 VanDerWaalsContact C-N 3.34Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 2.87Å; D112-R115 WeakPolarHBondContact O-CB 3.41Å; D112-R115 PolarHBondContact O-N 3.26Å; D112-R115 VanDerWaalsContact O-N 3.13Å; D112-R115 IonicContact OD1-NH1 3.78Å; D112-Y116 HydrophobicContact CB-CE2 4.36Å; D112-Y116 VanDerWaalsContact O-CD2 3.25Å; D112-Y116 WeakPolarHBondContact O-CD2 3.39Å; D112-Y116 PolarHBondContact O-N 3.17Å; D112-Y136 WeakPolarHBondContact CA-OH 3.35Å; D112-Y136 PolarHBondContact N-OH 2.7Å; D112-Y136 VanDerWaalsContact N-OH 3.13Å; D112-Y136 PolarHBondContact OD1-OH 2.93Å; D112-R152 VanDerWaalsContact CG-NH1 3.35Å; D112-R152 WeakPolarHBondContact OD1-CD 3.09Å; D112-R152 IonicContact OD1-CZ 3.15Å; D112-R152 IonicContact OD1-NH1 2.78Å; D112-R152 PolarHBondContact OD1-NH1 3.17Å; D112-R152 IonicContact OD2-CZ 2.68Å; D112-R152 IonicContact OD2-NH1 3.58Å; D112-R152 PolarHBondContact OD2-NH1 3.34Å |
| 113 | I | 93.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -44.5 | 173 | -71 | 164.6 | 0 | 0 | 0 | 110.7 | W22 L52 A55 T56 Y59 H109 M110 R115 Y116 R117 | W22-I113 HydrophobicContact CH2-CG1 4.12Å; W22-I113 HydrophobicContact CZ3-CD1 4.11Å; W22-I113 HydrophobicContact CZ3-CG1 3.86Å; L52-I113 HydrophobicContact CB-CG2 4.44Å; L52-I113 HydrophobicContact CD2-CG2 3.95Å; A55-I113 HydrophobicContact CB-CD1 3.74Å; A55-I113 HydrophobicContact CB-CG1 4.31Å; T56-I113 VanDerWaalsContact OG1-CG2 3.31Å; T56-I113 WeakPolarHBondContact OG1-CG2 3.37Å; Y59-I113 HydrophobicContact CD2-CD1 3.66Å; Y59-I113 HydrophobicContact CE2-CD1 4.08Å; H109-I113 VanDerWaalsContact O-CG1 3.3Å; H109-I113 WeakPolarHBondContact O-CG1 3.26Å; H109-I113 PolarHBondContact O-N 3.23Å; M110-I113 PolarHBondContact O-N 3.41Å; I113-R115 VanDerWaalsContact C-N 3.32Å; I113-R115 PolarHBondContact O-N 2.87Å; I113-Y116 PolarHBondContact O-N 2.89Å; I113-R117 WeakPolarHBondContact O-CG 3.4Å; I113-R117 PolarHBondContact O-N 2.89Å |
| 114 | V | 90.3 | Very high | 86.9 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | M110 G111 D112 R117 S118 A128 T131 A132 L135 | M110-V114 WeakPolarHBondContact O-CG2 3.16Å; M110-V114 PolarHBondContact O-N 3.47Å; M110-V114 VanDerWaalsContact O-N 3.12Å; G111-V114 WeakPolarHBondContact O-CB 3.41Å; G111-V114 PolarHBondContact O-N 3.24Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 2.87Å; V114-R117 WeakPolarHBondContact O-CB 3.33Å; V114-R117 PolarHBondContact O-N 3.45Å; V114-S118 PolarHBondContact O-N 3.34Å; V114-A128 HydrophobicContact CG1-CB 3.82Å; V114-A128 WeakPolarHBondContact CG1-O 3.18Å; V114-T131 HydrophobicContact CG1-CG2 4.41Å; V114-T131 HydrophobicContact CG2-CG2 4.05Å; V114-A132 HydrophobicContact CB-CB 4.14Å; V114-A132 HydrophobicContact CG1-CB 3.85Å; V114-L135 HydrophobicContact CG2-CD1 3.91Å |
| 115 | R | 89.4 | Confident | 85 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 25% | 0.249 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 173.6 | -73.3 | 178.8 | 67.8 | -151.5 | 3.7 | 112.6 | G111 D112 I113 R117 S118 A119 A132 Y136 L156 | G111-R115 PolarHBondContact O-N 3.13Å; D112-R115 WeakPolarHBondContact O-CB 3.41Å; D112-R115 PolarHBondContact O-N 3.26Å; D112-R115 VanDerWaalsContact O-N 3.13Å; D112-R115 IonicContact OD1-NH1 3.78Å; I113-R115 VanDerWaalsContact C-N 3.32Å; I113-R115 PolarHBondContact O-N 2.87Å; R115-R117 VanDerWaalsContact C-N 3.31Å; R115-R117 PolarHBondContact O-N 3.44Å; R115-S118 WeakPolarHBondContact O-CB 3.42Å; R115-S118 PolarHBondContact O-N 3.28Å; R115-S118 VanDerWaalsContact O-N 3.13Å; R115-A119 PolarHBondContact O-N 3.24Å; R115-A132 HydrophobicContact CG-CB 4.27Å; R115-Y136 WeakPolarHBondContact CD-OH 3.21Å; R115-L156 HydrophobicContact CG-CD1 4.09Å |
| 116 | Y | 90.2 | Very high | 83 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.5 | -65.4 | -45.1 | 0 | 0 | 0 | 111.6 | W22 F30 D31 L52 D112 I113 S118 A119 I120 | W22-Y116 AromaticContact CH2-CE2 3.86Å; W22-Y116 HydrophobicContact CH2-CE2 3.86Å; W22-Y116 HydrophobicContact CZ2-CE2 4.13Å; F30-Y116 HydrophobicContact CB-CD1 4.08Å; F30-Y116 HydrophobicContact CB-CD2 3.63Å; F30-Y116 HydrophobicContact CB-CE1 4.27Å; F30-Y116 HydrophobicContact CB-CE2 3.84Å; F30-Y116 HydrophobicContact CB-CG 3.78Å; F30-Y116 HydrophobicContact CD2-CD2 4.45Å; F30-Y116 HydrophobicContact CG-CD2 4.25Å; D31-Y116 WeakPolarHBondContact OD1-CE1 3.26Å; D31-Y116 PolarHBondContact OD1-OH 3.07Å; L52-Y116 HydrophobicContact CD2-CD2 4.24Å; D112-Y116 HydrophobicContact CB-CE2 4.36Å; D112-Y116 VanDerWaalsContact O-CD2 3.25Å; D112-Y116 WeakPolarHBondContact O-CD2 3.39Å; D112-Y116 PolarHBondContact O-N 3.17Å; I113-Y116 PolarHBondContact O-N 2.89Å; Y116-S118 VanDerWaalsContact C-N 3.29Å; Y116-S118 PolarHBondContact O-N 3.34Å; Y116-A119 PolarHBondContact O-N 3.47Å; Y116-I120 WeakPolarHBondContact O-CB 3.43Å; Y116-I120 VanDerWaalsContact O-CG1 3.27Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 2.89Å |
| 117 | R | 88.3 | Confident | 81.3 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 174.9 | -69.2 | 173.9 | 67.8 | 165.3 | 0.2 | 111.6 | M49 L52 I113 V114 R115 I120 Y121 | M49-R117 HydrophobicContact CE-CB 4.27Å; M49-R117 HydrophobicContact CE-CG 4.17Å; M49-R117 HydrophobicContact SD-CB 4.2Å; M49-R117 HydrophobicContact SD-CG 4.11Å; L52-R117 HydrophobicContact CB-CG 3.74Å; L52-R117 HydrophobicContact CD1-CB 4.44Å; L52-R117 HydrophobicContact CD1-CG 3.65Å; L52-R117 HydrophobicContact CG-CG 4.16Å; I113-R117 WeakPolarHBondContact O-CG 3.4Å; I113-R117 PolarHBondContact O-N 2.89Å; V114-R117 WeakPolarHBondContact O-CB 3.33Å; V114-R117 PolarHBondContact O-N 3.45Å; R115-R117 VanDerWaalsContact C-N 3.31Å; R115-R117 PolarHBondContact O-N 3.44Å; R117-I120 PolarHBondContact O-N 3.27Å; R117-Y121 PolarHBondContact O-N 3.05Å |
| 118 | S | 83.8 | Confident | 80 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | V114 R115 Y116 Y121 P122 V125 | V114-S118 PolarHBondContact O-N 3.34Å; R115-S118 WeakPolarHBondContact O-CB 3.42Å; R115-S118 PolarHBondContact O-N 3.28Å; R115-S118 VanDerWaalsContact O-N 3.13Å; Y116-S118 VanDerWaalsContact C-N 3.29Å; Y116-S118 PolarHBondContact O-N 3.34Å; S118-Y121 CarbonylContact O-C 3.29Å; S118-Y121 VanDerWaalsContact O-C 3.29Å; S118-P122 WeakPolarHBondContact O-CA 3.08Å; S118-V125 WeakPolarHBondContact OG-CA 3.45Å; S118-V125 VanDerWaalsContact OG-CG2 3.23Å; S118-V125 WeakPolarHBondContact OG-CG2 3.04Å |
| 119 | A | 84.4 | Confident | 79.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R115 Y116 | R115-A119 PolarHBondContact O-N 3.24Å; Y116-A119 PolarHBondContact O-N 3.47Å |
| 120 | I | 85.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74 | -38.8 | 179.4 | -67.9 | 174.3 | 0 | 0 | 0 | 111.5 | I33 L45 A48 M49 L52 Y116 R117 | I33-I120 HydrophobicContact CG2-CD1 3.71Å; I33-I120 HydrophobicContact CG2-CG1 4.07Å; L45-I120 HydrophobicContact CB-CG2 4.15Å; L45-I120 HydrophobicContact CD2-CG2 3.78Å; A48-I120 HydrophobicContact CB-CD1 3.99Å; M49-I120 HydrophobicContact CG-CG2 4.09Å; M49-I120 HydrophobicContact SD-CB 4.46Å; M49-I120 HydrophobicContact SD-CG2 4.18Å; L52-I120 HydrophobicContact CD1-CD1 3.6Å; Y116-I120 WeakPolarHBondContact O-CB 3.43Å; Y116-I120 VanDerWaalsContact O-CG1 3.27Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 2.89Å; R117-I120 PolarHBondContact O-N 3.27Å |
| 121 | Y | 79.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | trans | -125.4 | 88.6 | 175.6 | -84.2 | -82.8 | 0 | 0 | 0 | 111.5 | L45 M49 R117 S118 T123 V124 | L45-Y121 HydrophobicContact CB-CE2 4.11Å; M49-Y121 HydrophobicContact CE-CD2 4.47Å; M49-Y121 HydrophobicContact CG-CD2 3.5Å; M49-Y121 VanDerWaalsContact CG-CD2 3.5Å; M49-Y121 HydrophobicContact CG-CE2 3.54Å; M49-Y121 HydrophobicContact SD-CD2 3.87Å; R117-Y121 PolarHBondContact O-N 3.05Å; S118-Y121 CarbonylContact O-C 3.29Å; S118-Y121 VanDerWaalsContact O-C 3.29Å; Y121-T123 PolarHBondContact O-N 3.27Å; Y121-T123 VanDerWaalsContact O-N 3.08Å; Y121-V124 WeakPolarHBondContact O-CB 3.34Å; Y121-V124 PolarHBondContact O-N 3.45Å | ||
| 122 | P | 68.6 | Low | 78.1 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.8 | -20.2 | -177.8 | -25.8 | 34.9 | 0 | 0 | 0 | 114.8 | S118 V124 V125 | S118-P122 WeakPolarHBondContact O-CA 3.08Å; P122-V124 PolarHBondContact O-N 3.15Å; P122-V125 VanDerWaalsContact CA-CG2 3.45Å; P122-V125 HydrophobicContact CB-CG2 4Å; P122-V125 WeakPolarHBondContact O-CB 3.47Å; P122-V125 WeakPolarHBondContact O-CG2 3.39Å; P122-V125 PolarHBondContact O-N 2.9Å |
| 123 | T | 63 | Low | 77.8 | Confident | 128 Ų | 128 | 59.2 Ų | 59.2 | 79% | 0.785 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -60.6 | -13.6 | 173.6 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | Y121 | Y121-T123 PolarHBondContact O-N 3.27Å; Y121-T123 VanDerWaalsContact O-N 3.08Å |
| 124 | V | 56.8 | Low | 77.5 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -104.6 | -0.1 | 178.6 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | Y121 P122 Y126 R127 A128 | Y121-V124 WeakPolarHBondContact O-CB 3.34Å; Y121-V124 PolarHBondContact O-N 3.45Å; P122-V124 PolarHBondContact O-N 3.15Å; V124-Y126 PolarHBondContact O-N 3.09Å; V124-R127 HydrophobicContact CG1-CB 3.93Å; V124-R127 CarbonylContact O-C 3.57Å; V124-R127 WeakPolarHBondContact O-CA 3.48Å; V124-R127 WeakPolarHBondContact O-CB 3.35Å; V124-R127 PolarHBondContact O-N 3.32Å; V124-A128 PolarHBondContact O-N 3.09Å |
| 125 | V | 52.8 | Low | 77.5 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.8 | -47.8 | -170.7 | 170.2 | 0 | 0 | 0 | 0 | 112.8 | S118 P122 R127 A128 Y129 V160 | S118-V125 WeakPolarHBondContact OG-CA 3.45Å; S118-V125 VanDerWaalsContact OG-CG2 3.23Å; S118-V125 WeakPolarHBondContact OG-CG2 3.04Å; P122-V125 VanDerWaalsContact CA-CG2 3.45Å; P122-V125 HydrophobicContact CB-CG2 4Å; P122-V125 WeakPolarHBondContact O-CB 3.47Å; P122-V125 WeakPolarHBondContact O-CG2 3.39Å; P122-V125 PolarHBondContact O-N 2.9Å; V125-R127 PolarHBondContact O-N 3.01Å; V125-A128 PolarHBondContact O-N 3.42Å; V125-Y129 PolarHBondContact O-N 2.89Å; V125-Y129 VanDerWaalsContact O-N 3.16Å; V125-V160 HydrophobicContact CG1-CG1 4.27Å |
| 126 | Y | 52.6 | Low | 77.7 | Confident | 185 Ų | 185 | 60.6 Ų | 60.6 | 73% | 0.725 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67 | -21.3 | 178.2 | -69.9 | -73.7 | 0 | 0 | 0 | 113.7 | V124 P130 | V124-Y126 PolarHBondContact O-N 3.09Å; Y126-P130 WeakPolarHBondContact O-CD 3.4Å |
| 127 | R | 59.2 | Low | 77.5 | Confident | 205 Ų | 205 | 62.8 Ų | 62.8 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -89.2 | -30.1 | 177.3 | -64.5 | -174.4 | 179 | -171 | -0.6 | 112.6 | V124 V125 | V124-R127 HydrophobicContact CG1-CB 3.93Å; V124-R127 CarbonylContact O-C 3.57Å; V124-R127 WeakPolarHBondContact O-CA 3.48Å; V124-R127 WeakPolarHBondContact O-CB 3.35Å; V124-R127 PolarHBondContact O-N 3.32Å; V125-R127 PolarHBondContact O-N 3.01Å |
| 128 | A | 69.3 | Low | 77.5 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.1 | -34.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V114 V124 V125 T131 A132 | V114-A128 HydrophobicContact CG1-CB 3.82Å; V114-A128 WeakPolarHBondContact CG1-O 3.18Å; V124-A128 PolarHBondContact O-N 3.09Å; V125-A128 PolarHBondContact O-N 3.42Å; A128-T131 PolarHBondContact O-N 2.97Å; A128-A132 PolarHBondContact O-N 2.74Å |
| 129 | Y | 78.3 | Confident | 77.9 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 9% | 0.09 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -51.3 | -53.6 | -178 | 175.7 | -79.9 | 0 | 0 | 0 | 113.3 | V125 T131 A132 E133 L156 C157 V160 R162 | V125-Y129 PolarHBondContact O-N 2.89Å; V125-Y129 VanDerWaalsContact O-N 3.16Å; Y129-T131 PolarHBondContact O-N 3.1Å; Y129-T131 VanDerWaalsContact O-N 3.14Å; Y129-A132 PolarHBondContact O-N 2.89Å; Y129-E133 HydrophobicContact CE1-CB 4.26Å; Y129-E133 VanDerWaalsContact CE1-CD 3.49Å; Y129-E133 HydrophobicContact CE1-CG 4.45Å; Y129-E133 WeakPolarHBondContact CE1-OE2 3.02Å; Y129-E133 VanDerWaalsContact O-CB 3.32Å; Y129-E133 WeakPolarHBondContact O-CB 3.31Å; Y129-E133 PolarHBondContact O-N 3.21Å; Y129-E133 PolarHBondContact OH-OE1 3.17Å; Y129-L156 HydrophobicContact CD2-CD1 3.84Å; Y129-L156 HydrophobicContact CD2-CD2 3.78Å; Y129-L156 HydrophobicContact CD2-CG 3.46Å; Y129-L156 VanDerWaalsContact CD2-CG 3.46Å; Y129-L156 HydrophobicContact CE2-CB 4.37Å; Y129-L156 HydrophobicContact CE2-CD1 4.33Å; Y129-L156 HydrophobicContact CE2-CD2 3.73Å; Y129-L156 HydrophobicContact CE2-CG 3.45Å; Y129-L156 VanDerWaalsContact CE2-CG 3.45Å; Y129-L156 HydrophobicContact CG-CD2 4.34Å; Y129-L156 HydrophobicContact CG-CG 4.4Å; Y129-C157 PolarHBondContact OH-SG 2.95Å; Y129-V160 HydrophobicContact CD2-CB 4.22Å; Y129-V160 HydrophobicContact CD2-CG1 3.5Å; Y129-V160 VanDerWaalsContact CD2-CG1 3.5Å; Y129-V160 HydrophobicContact CD2-CG2 3.7Å; Y129-V160 HydrophobicContact CE2-CB 4.42Å; Y129-V160 HydrophobicContact CE2-CG1 4.14Å; Y129-V160 HydrophobicContact CE2-CG2 3.43Å; Y129-V160 VanDerWaalsContact CE2-CG2 3.43Å; Y129-V160 HydrophobicContact CG-CG1 4.24Å; Y129-R162 PolarHBondContact OH-NH1 3.33Å |
| 130 | P | 82.6 | Confident | 78 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -26.5 | -178.4 | -22.8 | 34.7 | 0 | 0 | 0 | 113.3 | Y126 K134 | Y126-P130 WeakPolarHBondContact O-CD 3.4Å; P130-K134 WeakPolarHBondContact O-CB 3.23Å; P130-K134 PolarHBondContact O-N 3.39Å |
| 131 | T | 87.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -78.6 | -44.2 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | V114 A128 Y129 K134 L135 | V114-T131 HydrophobicContact CG1-CG2 4.41Å; V114-T131 HydrophobicContact CG2-CG2 4.05Å; A128-T131 PolarHBondContact O-N 2.97Å; Y129-T131 PolarHBondContact O-N 3.1Å; Y129-T131 VanDerWaalsContact O-N 3.14Å; T131-K134 PolarHBondContact O-N 2.98Å; T131-L135 HydrophobicContact CG2-CD1 4.18Å; T131-L135 WeakPolarHBondContact O-CD1 3.41Å; T131-L135 VanDerWaalsContact O-CG 3.31Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 2.8Å; T131-L135 VanDerWaalsContact O-N 3.08Å |
| 132 | A | 90.8 | Very high | 78.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | V114 R115 A128 Y129 K134 L135 Y136 L156 | V114-A132 HydrophobicContact CB-CB 4.14Å; V114-A132 HydrophobicContact CG1-CB 3.85Å; R115-A132 HydrophobicContact CG-CB 4.27Å; A128-A132 PolarHBondContact O-N 2.74Å; Y129-A132 PolarHBondContact O-N 2.89Å; A132-K134 VanDerWaalsContact C-N 3.29Å; A132-K134 PolarHBondContact O-N 3.37Å; A132-L135 PolarHBondContact O-N 3.13Å; A132-L135 VanDerWaalsContact O-N 3.15Å; A132-Y136 HydrophobicContact CB-CE2 4.12Å; A132-Y136 WeakPolarHBondContact O-CD2 3.46Å; A132-Y136 PolarHBondContact O-N 3.18Å; A132-L156 HydrophobicContact CB-CD1 4.17Å; A132-L156 HydrophobicContact CB-CD2 3.94Å |
| 133 | E | 88 | Confident | 78.9 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.2 | -47.8 | 176.4 | -177.1 | 173.9 | -130.1 | 0 | 0 | 110.9 | Y129 L135 Y136 Q137 L153 L156 R162 | Y129-E133 HydrophobicContact CE1-CB 4.26Å; Y129-E133 VanDerWaalsContact CE1-CD 3.49Å; Y129-E133 HydrophobicContact CE1-CG 4.45Å; Y129-E133 WeakPolarHBondContact CE1-OE2 3.02Å; Y129-E133 VanDerWaalsContact O-CB 3.32Å; Y129-E133 WeakPolarHBondContact O-CB 3.31Å; Y129-E133 PolarHBondContact O-N 3.21Å; Y129-E133 PolarHBondContact OH-OE1 3.17Å; E133-L135 PolarHBondContact O-N 3.03Å; E133-Y136 PolarHBondContact O-N 2.72Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 VanDerWaalsContact O-CG 3.29Å; E133-Q137 WeakPolarHBondContact O-CG 2.98Å; E133-Q137 PolarHBondContact O-N 3.11Å; E133-L153 HydrophobicContact CB-CD2 4.38Å; E133-L153 HydrophobicContact CG-CD2 3.88Å; E133-L156 HydrophobicContact CB-CD2 3.79Å; E133-R162 IonicContact OE1-NH1 2.66Å |
| 134 | K | 86.6 | Confident | 79.8 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -42.7 | 177.6 | -177.2 | 171.9 | 175.8 | 178.4 | 0 | 113 | P130 T131 A132 Q137 Y138 | P130-K134 WeakPolarHBondContact O-CB 3.23Å; P130-K134 PolarHBondContact O-N 3.39Å; T131-K134 PolarHBondContact O-N 2.98Å; A132-K134 VanDerWaalsContact C-N 3.29Å; A132-K134 PolarHBondContact O-N 3.37Å; K134-Q137 PolarHBondContact O-N 3.35Å; K134-Y138 HydrophobicContact CD-CE1 4.22Å; K134-Y138 WeakPolarHBondContact CE-OH 3.27Å; K134-Y138 HydrophobicContact CG-CD1 4.07Å; K134-Y138 HydrophobicContact CG-CE1 3.45Å; K134-Y138 VanDerWaalsContact CG-CE1 3.45Å; K134-Y138 PolarHBondContact NZ-OH 2.91Å; K134-Y138 WeakPolarHBondContact O-CD1 3.46Å; K134-Y138 VanDerWaalsContact O-CG 3.31Å; K134-Y138 PolarHBondContact O-N 3.39Å |
| 135 | L | 91.4 | Very high | 81.1 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 179 | -71.4 | 162.3 | 0 | 0 | 0 | 112 | Y107 M110 V114 T131 A132 E133 Y138 A139 | Y107-L135 HydrophobicContact CD1-CD2 3.84Å; Y107-L135 HydrophobicContact CE1-CD2 4.28Å; M110-L135 HydrophobicContact CB-CD1 3.92Å; M110-L135 HydrophobicContact CB-CD2 4.03Å; M110-L135 HydrophobicContact CB-CG 4.5Å; M110-L135 HydrophobicContact CE-CD2 4.41Å; M110-L135 HydrophobicContact SD-CD2 4.44Å; V114-L135 HydrophobicContact CG2-CD1 3.91Å; T131-L135 HydrophobicContact CG2-CD1 4.18Å; T131-L135 WeakPolarHBondContact O-CD1 3.41Å; T131-L135 VanDerWaalsContact O-CG 3.31Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 2.8Å; T131-L135 VanDerWaalsContact O-N 3.08Å; A132-L135 PolarHBondContact O-N 3.13Å; A132-L135 VanDerWaalsContact O-N 3.15Å; E133-L135 PolarHBondContact O-N 3.03Å; L135-Y138 WeakPolarHBondContact O-CB 3.36Å; L135-Y138 PolarHBondContact O-N 3.38Å; L135-A139 PolarHBondContact O-N 3.42Å |
| 136 | Y | 92.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 174.4 | -60.2 | -47.7 | 0 | 0 | 0 | 112.4 | I108 G111 D112 R115 A132 E133 Y138 A139 L140 R152 L153 | I108-Y136 HydrophobicContact CD1-CD1 3.99Å; I108-Y136 WeakPolarHBondContact O-CE1 3.34Å; G111-Y136 PolarHBondContact O-OH 2.98Å; D112-Y136 WeakPolarHBondContact CA-OH 3.35Å; D112-Y136 PolarHBondContact N-OH 2.7Å; D112-Y136 VanDerWaalsContact N-OH 3.13Å; D112-Y136 PolarHBondContact OD1-OH 2.93Å; R115-Y136 WeakPolarHBondContact CD-OH 3.21Å; A132-Y136 HydrophobicContact CB-CE2 4.12Å; A132-Y136 WeakPolarHBondContact O-CD2 3.46Å; A132-Y136 PolarHBondContact O-N 3.18Å; E133-Y136 PolarHBondContact O-N 2.72Å; Y136-Y138 VanDerWaalsContact C-N 3.26Å; Y136-Y138 PolarHBondContact O-N 3.44Å; Y136-A139 PolarHBondContact O-N 2.94Å; Y136-L140 VanDerWaalsContact O-CB 3.3Å; Y136-L140 WeakPolarHBondContact O-CB 3.48Å; Y136-L140 PolarHBondContact O-N 2.98Å; Y136-R152 HydrophobicContact CD1-CB 3.7Å; Y136-R152 HydrophobicContact CD1-CG 4.17Å; Y136-R152 HydrophobicContact CD2-CB 3.9Å; Y136-R152 HydrophobicContact CE1-CB 3.6Å; Y136-R152 HydrophobicContact CE1-CG 3.84Å; Y136-R152 HydrophobicContact CE2-CB 3.82Å; Y136-R152 HydrophobicContact CG-CB 3.85Å; Y136-L153 HydrophobicContact CD2-CD2 4.3Å; Y136-L153 HydrophobicContact CD2-CG 4.49Å |
| 137 | Q | 87.2 | Confident | 84.7 | Confident | 62 Ų | 62 | 36.1 Ų | 36.1 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 171.2 | -74.3 | 173.6 | -6.4 | 0 | 0 | 112.1 | L85 E133 K134 L140 S141 L153 | L85-Q137 WeakPolarHBondContact CD2-O 3.11Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 VanDerWaalsContact O-CG 3.29Å; E133-Q137 WeakPolarHBondContact O-CG 2.98Å; E133-Q137 PolarHBondContact O-N 3.11Å; K134-Q137 PolarHBondContact O-N 3.35Å; Q137-L140 PolarHBondContact O-N 3.49Å; Q137-S141 WeakPolarHBondContact O-CB 3.33Å; Q137-S141 PolarHBondContact O-N 3.15Å; Q137-L153 HydrophobicContact CG-CD1 4.47Å; Q137-L153 HydrophobicContact CG-CD2 4.44Å |
| 138 | Y | 87.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 11% | 0.106 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | 173.8 | -70.6 | 11.7 | 0 | 0 | 0 | 111 | V81 P82 Y107 K134 L135 Y136 L140 S141 L142 | V81-Y138 HydrophobicContact CG1-CE1 4.2Å; V81-Y138 WeakPolarHBondContact CG1-OH 3.49Å; V81-Y138 VanDerWaalsContact CG2-OH 3.29Å; V81-Y138 WeakPolarHBondContact CG2-OH 3.47Å; P82-Y138 HydrophobicContact CG-CD1 3.53Å; P82-Y138 HydrophobicContact CG-CE1 3.95Å; P82-Y138 HydrophobicContact CG-CG 4.15Å; Y107-Y138 HydrophobicContact CD1-CD2 4.18Å; Y107-Y138 AromaticContact CE1-CD2 3.72Å; Y107-Y138 HydrophobicContact CE1-CD2 3.72Å; Y107-Y138 HydrophobicContact CE2-CD2 4.22Å; Y107-Y138 AromaticContact CZ-CD2 3.74Å; K134-Y138 HydrophobicContact CD-CE1 4.22Å; K134-Y138 WeakPolarHBondContact CE-OH 3.27Å; K134-Y138 HydrophobicContact CG-CD1 4.07Å; K134-Y138 HydrophobicContact CG-CE1 3.45Å; K134-Y138 VanDerWaalsContact CG-CE1 3.45Å; K134-Y138 PolarHBondContact NZ-OH 2.91Å; K134-Y138 WeakPolarHBondContact O-CD1 3.46Å; K134-Y138 VanDerWaalsContact O-CG 3.31Å; K134-Y138 PolarHBondContact O-N 3.39Å; L135-Y138 WeakPolarHBondContact O-CB 3.36Å; L135-Y138 PolarHBondContact O-N 3.38Å; Y136-Y138 VanDerWaalsContact C-N 3.26Å; Y136-Y138 PolarHBondContact O-N 3.44Å; Y138-L140 VanDerWaalsContact C-N 3.3Å; Y138-L140 PolarHBondContact O-N 3.15Å; Y138-S141 WeakPolarHBondContact O-CB 3.36Å; Y138-S141 PolarHBondContact O-N 3.25Å; Y138-S141 VanDerWaalsContact O-N 3.14Å; Y138-S141 PolarHBondContact O-OG 2.84Å; Y138-L142 PolarHBondContact O-N 2.92Å |
| 139 | A | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y104 I108 L135 Y136 S141 L142 K143 P149 | Y104-A139 HydrophobicContact CD2-CB 3.84Å; Y104-A139 WeakPolarHBondContact CD2-O 3.25Å; Y104-A139 HydrophobicContact CE2-CB 4.08Å; I108-A139 HydrophobicContact CD1-CB 3.51Å; I108-A139 HydrophobicContact CG1-CB 3.9Å; L135-A139 PolarHBondContact O-N 3.42Å; Y136-A139 PolarHBondContact O-N 2.94Å; A139-S141 VanDerWaalsContact C-N 3.27Å; A139-S141 PolarHBondContact O-N 3.35Å; A139-L142 PolarHBondContact O-N 2.97Å; A139-K143 PolarHBondContact O-N 3.5Å; A139-P149 HydrophobicContact CB-CG 4.31Å |
| 140 | L | 87.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -35 | 178.1 | -172 | 56.7 | 0 | 0 | 0 | 112.9 | L85 W87 Y136 Q137 Y138 L142 K143 P144 P149 F150 L153 | L85-L140 HydrophobicContact CD2-CB 4.07Å; L85-L140 HydrophobicContact CD2-CD2 4.25Å; L85-L140 HydrophobicContact CD2-CG 4.03Å; W87-L140 HydrophobicContact CH2-CD1 3.56Å; W87-L140 HydrophobicContact CH2-CD2 3.52Å; W87-L140 HydrophobicContact CH2-CG 3.29Å; W87-L140 HydrophobicContact CZ2-CD2 3.97Å; W87-L140 HydrophobicContact CZ2-CG 3.95Å; W87-L140 HydrophobicContact CZ3-CD1 3.9Å; W87-L140 HydrophobicContact CZ3-CG 4.03Å; Y136-L140 VanDerWaalsContact O-CB 3.3Å; Y136-L140 WeakPolarHBondContact O-CB 3.48Å; Y136-L140 PolarHBondContact O-N 2.98Å; Q137-L140 PolarHBondContact O-N 3.49Å; Y138-L140 VanDerWaalsContact C-N 3.3Å; Y138-L140 PolarHBondContact O-N 3.15Å; L140-L142 PolarHBondContact O-N 3.46Å; L140-K143 CarbonylContact O-C 3.55Å; L140-P144 WeakPolarHBondContact O-CA 3.45Å; L140-P149 HydrophobicContact CB-CB 3.75Å; L140-P149 HydrophobicContact CB-CG 4.16Å; L140-P149 HydrophobicContact CD1-CB 4.05Å; L140-P149 HydrophobicContact CD1-CG 4.11Å; L140-P149 HydrophobicContact CG-CB 4.36Å; L140-F150 HydrophobicContact CD1-CD2 3.94Å; L140-F150 HydrophobicContact CD1-CE1 4.09Å; L140-F150 HydrophobicContact CD1-CE2 3.45Å; L140-F150 VanDerWaalsContact CD1-CE2 3.45Å; L140-F150 HydrophobicContact CD1-CG 4.48Å; L140-F150 HydrophobicContact CD1-CZ 3.55Å; L140-F150 HydrophobicContact CD2-CD1 4.26Å; L140-F150 HydrophobicContact CD2-CE1 3.85Å; L140-F150 HydrophobicContact CD2-CZ 4.11Å; L140-F150 HydrophobicContact CG-CZ 4.38Å; L140-L153 HydrophobicContact CD2-CD1 4.07Å |
| 141 | S | 81.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 23 Ų | 23 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.8 | -23.7 | 176 | 79.4 | 0 | 0 | 0 | 0 | 113.8 | P82 R86 Q137 Y138 A139 | P82-S141 VanDerWaalsContact CG-OG 3.28Å; P82-S141 WeakPolarHBondContact CG-OG 3.31Å; R86-S141 VanDerWaalsContact O-O 3.09Å; Q137-S141 WeakPolarHBondContact O-CB 3.33Å; Q137-S141 PolarHBondContact O-N 3.15Å; Y138-S141 WeakPolarHBondContact O-CB 3.36Å; Y138-S141 PolarHBondContact O-N 3.25Å; Y138-S141 VanDerWaalsContact O-N 3.14Å; Y138-S141 PolarHBondContact O-OG 2.84Å; A139-S141 VanDerWaalsContact C-N 3.27Å; A139-S141 PolarHBondContact O-N 3.35Å |
| 142 | L | 85.1 | Confident | 89 | Confident | 17 Ų | 17 | 22 Ų | 22 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -87.9 | -42.2 | 178.8 | -64.9 | -179.6 | 0 | 0 | 0 | 111.3 | T77 V78 V100 I103 Y107 Y138 A139 L140 | T77-L142 HydrophobicContact CG2-CD2 4.25Å; V78-L142 HydrophobicContact CG1-CD1 4.45Å; V78-L142 HydrophobicContact CG1-CD2 4.13Å; V100-L142 HydrophobicContact CG1-CB 4.1Å; I103-L142 HydrophobicContact CB-CD1 4.43Å; I103-L142 HydrophobicContact CG2-CD1 4Å; Y107-L142 HydrophobicContact CD2-CD1 3.87Å; Y107-L142 HydrophobicContact CE2-CD1 4Å; Y138-L142 PolarHBondContact O-N 2.92Å; A139-L142 PolarHBondContact O-N 2.97Å; L140-L142 PolarHBondContact O-N 3.46Å |
| 143 | K | 86 | Confident | 89.1 | Confident | 33 Ų | 33 | 22 Ų | 22 | 14% | 0.143 | 11% | 0.105 | C | C | . | . | trans | -127.4 | 84 | 178.4 | -62.8 | -164.9 | 75.2 | -176.4 | 0 | 110.7 | E101 Y104 A139 L140 D145 E146 E178 | E101-K143 IonicContact OE1-NZ 3.67Å; E101-K143 PolarHBondContact OE1-NZ 2.89Å; E101-K143 VanDerWaalsContact OE1-NZ 3.17Å; E101-K143 VanDerWaalsContact OE2-CD 3.24Å; E101-K143 WeakPolarHBondContact OE2-CD 3.35Å; E101-K143 WeakPolarHBondContact OE2-CE 3.38Å; E101-K143 IonicContact OE2-NZ 3.79Å; E101-K143 PolarHBondContact OE2-NZ 2.78Å; Y104-K143 HydrophobicContact CD1-CD 3.72Å; Y104-K143 HydrophobicContact CD1-CG 4.42Å; Y104-K143 HydrophobicContact CD2-CB 3.73Å; Y104-K143 HydrophobicContact CD2-CD 4.01Å; Y104-K143 HydrophobicContact CD2-CG 3.84Å; Y104-K143 HydrophobicContact CE1-CD 4.1Å; Y104-K143 HydrophobicContact CE2-CB 3.81Å; Y104-K143 HydrophobicContact CE2-CD 4.34Å; Y104-K143 HydrophobicContact CE2-CG 4.33Å; Y104-K143 HydrophobicContact CG-CB 4.28Å; Y104-K143 HydrophobicContact CG-CD 3.69Å; Y104-K143 HydrophobicContact CG-CG 3.89Å; A139-K143 PolarHBondContact O-N 3.5Å; L140-K143 CarbonylContact O-C 3.55Å; K143-D145 VanDerWaalsContact C-N 3.29Å; K143-D145 PolarHBondContact O-N 3.04Å; K143-E146 HydrophobicContact CB-CB 4.17Å; K143-E146 HydrophobicContact CB-CG 3.78Å; K143-E146 HydrophobicContact CD-CG 4.04Å; K143-E146 IonicContact NZ-OE1 2.68Å; K143-E146 PolarHBondContact NZ-OE1 2.8Å; K143-E146 PolarHBondContact O-N 2.87Å; K143-E178 IonicContact NZ-OE2 3.57Å | ||
| 144 | P | 81.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 20.2 Ų | 20.2 | 16% | 0.162 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.4 | -177.5 | 24.6 | -35.8 | 0 | 0 | 0 | 114.9 | W87 L140 E146 | W87-P144 HydrophobicContact CD2-CB 4.01Å; W87-P144 HydrophobicContact CE3-CB 2.99Å; W87-P144 HydrophobicContact CE3-CG 4.27Å; W87-P144 HydrophobicContact CZ3-CB 3.29Å; L140-P144 WeakPolarHBondContact O-CA 3.45Å; P144-E146 VanDerWaalsContact C-N 3.3Å |
| 145 | D | 84.3 | Confident | 89.6 | Confident | 56 Ų | 56 | 17.1 Ų | 17.1 | 30% | 0.299 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.2 | -176.3 | -75.7 | -34.9 | 0 | 0 | 0 | 113.1 | K143 A176 K177 E178 | K143-D145 VanDerWaalsContact C-N 3.29Å; K143-D145 PolarHBondContact O-N 3.04Å; D145-A176 WeakPolarHBondContact O-CB 3.24Å; D145-K177 HydrophobicContact CB-CB 4.25Å; D145-K177 HydrophobicContact CB-CD 4.41Å; D145-K177 HydrophobicContact CB-CG 4.46Å; D145-K177 PolarHBondContact O-N 3.38Å; D145-K177 WeakPolarHBondContact OD1-CE 3.44Å; D145-K177 IonicContact OD1-NZ 2.78Å; D145-K177 PolarHBondContact OD1-NZ 3.39Å; D145-K177 IonicContact OD2-NZ 3.9Å; D145-K177 PolarHBondContact OD2-NZ 2.93Å; D145-E178 PolarHBondContact O-N 3.27Å |
| 146 | E | 89.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 133.2 | -179.1 | -76.5 | -87.3 | -155.4 | 0 | 0 | 111.8 | Y104 K143 P144 P149 F150 E178 R179 | Y104-E146 HydrophobicContact CE2-CB 4.29Å; Y104-E146 WeakPolarHBondContact OH-CB 3.26Å; K143-E146 HydrophobicContact CB-CB 4.17Å; K143-E146 HydrophobicContact CB-CG 3.78Å; K143-E146 HydrophobicContact CD-CG 4.04Å; K143-E146 IonicContact NZ-OE1 2.68Å; K143-E146 PolarHBondContact NZ-OE1 2.8Å; K143-E146 PolarHBondContact O-N 2.87Å; P144-E146 VanDerWaalsContact C-N 3.3Å; E146-P149 VanDerWaalsContact O-CD 3.3Å; E146-P149 WeakPolarHBondContact O-CD 3.34Å; E146-F150 WeakPolarHBondContact O-CD2 3.13Å; E146-E178 HydrophobicContact CG-CB 4.43Å; E146-R179 IonicContact OE1-CZ 3.16Å; E146-R179 IonicContact OE1-NH1 2.91Å; E146-R179 PolarHBondContact OE1-NH1 2.76Å; E146-R179 IonicContact OE2-CZ 2.8Å; E146-R179 IonicContact OE2-NH1 2.65Å; E146-R179 PolarHBondContact OE2-NH1 2.56Å |
| 147 | S | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -71.6 | -29.7 | 179.8 | -166.8 | 0 | 0 | 0 | 0 | 113.9 | F150 S151 G173 E178 R179 S183 | S147-F150 VanDerWaalsContact O-CB 3.3Å; S147-F150 WeakPolarHBondContact O-CB 3.45Å; S147-F150 PolarHBondContact O-N 3.27Å; S147-S151 PolarHBondContact O-N 3.3Å; S147-S151 PolarHBondContact O-OG 2.91Å; S147-G173 WeakPolarHBondContact CB-O 3.12Å; S147-G173 PolarHBondContact OG-O 3.28Å; S147-E178 WeakPolarHBondContact CB-O 3.38Å; S147-E178 PolarHBondContact N-O 2.9Å; S147-E178 VanDerWaalsContact N-O 3.09Å; S147-R179 WeakPolarHBondContact CB-O 3.2Å; S147-R179 PolarHBondContact OG-O 3.44Å; S147-S183 VanDerWaalsContact OG-CB 3.24Å; S147-S183 WeakPolarHBondContact OG-CB 3.46Å; S147-S183 PolarHBondContact OG-OG 2.73Å; S147-S183 VanDerWaalsContact OG-OG 3.06Å |
| 148 | T | 93.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 16.4 Ų | 16.4 | 17% | 0.172 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -53.9 | -48.7 | -170.2 | -48.7 | 0 | 0 | 0 | 0 | 114.5 | Y104 I108 F150 S151 R152 | Y104-T148 WeakPolarHBondContact OH-CB 3.28Å; I108-T148 HydrophobicContact CD1-CG2 4.42Å; I108-T148 HydrophobicContact CG2-CG2 4.36Å; T148-F150 VanDerWaalsContact C-N 3.27Å; T148-F150 PolarHBondContact O-N 3.14Å; T148-S151 WeakPolarHBondContact O-CB 3.31Å; T148-S151 PolarHBondContact O-N 3.12Å; T148-R152 HydrophobicContact CG2-CG 4.4Å; T148-R152 VanDerWaalsContact O-CG 3.24Å; T148-R152 WeakPolarHBondContact O-CG 3.31Å; T148-R152 PolarHBondContact O-N 3.32Å |
| 149 | P | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -36.2 | 179 | -15.2 | 27.5 | 0 | 0 | 0 | 112.4 | Y104 I108 A139 L140 E146 R152 L153 | Y104-P149 HydrophobicContact CE2-CG 3.76Å; I108-P149 HydrophobicContact CD1-CB 4.15Å; I108-P149 HydrophobicContact CD1-CG 4.02Å; A139-P149 HydrophobicContact CB-CG 4.31Å; L140-P149 HydrophobicContact CB-CB 3.75Å; L140-P149 HydrophobicContact CB-CG 4.16Å; L140-P149 HydrophobicContact CD1-CB 4.05Å; L140-P149 HydrophobicContact CD1-CG 4.11Å; L140-P149 HydrophobicContact CG-CB 4.36Å; E146-P149 VanDerWaalsContact O-CD 3.3Å; E146-P149 WeakPolarHBondContact O-CD 3.34Å; P149-R152 PolarHBondContact O-N 2.85Å; P149-L153 WeakPolarHBondContact O-CB 3.45Å; P149-L153 VanDerWaalsContact O-CG 3.28Å; P149-L153 WeakPolarHBondContact O-CG 3.35Å; P149-L153 PolarHBondContact O-N 3.35Å |
| 150 | F | 93 | Very high | 88.8 | Confident | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 175.3 | -66.6 | -72.9 | 0 | 0 | 0 | 111.5 | W87 L140 E146 S147 T148 R152 L153 G154 Y169 R172 | W87-F150 HydrophobicContact CH2-CE1 4.37Å; W87-F150 AromaticContact CH2-CZ 3.86Å; W87-F150 HydrophobicContact CH2-CZ 3.86Å; W87-F150 HydrophobicContact CZ3-CZ 4.15Å; L140-F150 HydrophobicContact CD1-CD2 3.94Å; L140-F150 HydrophobicContact CD1-CE1 4.09Å; L140-F150 HydrophobicContact CD1-CE2 3.45Å; L140-F150 VanDerWaalsContact CD1-CE2 3.45Å; L140-F150 HydrophobicContact CD1-CG 4.48Å; L140-F150 HydrophobicContact CD1-CZ 3.55Å; L140-F150 HydrophobicContact CD2-CD1 4.26Å; L140-F150 HydrophobicContact CD2-CE1 3.85Å; L140-F150 HydrophobicContact CD2-CZ 4.11Å; L140-F150 HydrophobicContact CG-CZ 4.38Å; E146-F150 WeakPolarHBondContact O-CD2 3.13Å; S147-F150 VanDerWaalsContact O-CB 3.3Å; S147-F150 WeakPolarHBondContact O-CB 3.45Å; S147-F150 PolarHBondContact O-N 3.27Å; T148-F150 VanDerWaalsContact C-N 3.27Å; T148-F150 PolarHBondContact O-N 3.14Å; F150-R152 VanDerWaalsContact C-N 3.25Å; F150-R152 PolarHBondContact O-N 3.37Å; F150-L153 PolarHBondContact O-N 2.89Å; F150-G154 PolarHBondContact O-N 2.9Å; F150-Y169 WeakPolarHBondContact CB-O 3.34Å; F150-Y169 HydrophobicContact CD1-CD1 4.14Å; F150-R172 HydrophobicContact CD1-CB 3.85Å; F150-R172 HydrophobicContact CE1-CB 3.74Å; F150-R172 HydrophobicContact CZ-CB 4.3Å |
| 151 | S | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.5 | -44.1 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | S147 T148 G154 M155 H170 E182 S183 | S147-S151 PolarHBondContact O-N 3.3Å; S147-S151 PolarHBondContact O-OG 2.91Å; T148-S151 WeakPolarHBondContact O-CB 3.31Å; T148-S151 PolarHBondContact O-N 3.12Å; S151-G154 PolarHBondContact O-N 3.25Å; S151-M155 WeakPolarHBondContact O-CG 3.21Å; S151-M155 PolarHBondContact O-N 3.44Å; S151-H170 PolarHBondContact O-CE1 3.41Å; S151-E182 PolarHBondContact OG-OE2 2.65Å; S151-S183 PolarHBondContact N-OG 3.28Å; S151-S183 PolarHBondContact OG-N 3.02Å; S151-S183 PolarHBondContact OG-OG 2.79Å |
| 152 | R | 93.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 26 Ų | 26 | 19% | 0.189 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -43.5 | -178.9 | -61.7 | -71.2 | 153.5 | 166 | -6.2 | 112.6 | D112 Y136 T148 P149 F150 M155 L156 E182 | D112-R152 VanDerWaalsContact CG-NH1 3.35Å; D112-R152 WeakPolarHBondContact OD1-CD 3.09Å; D112-R152 IonicContact OD1-CZ 3.15Å; D112-R152 IonicContact OD1-NH1 2.78Å; D112-R152 PolarHBondContact OD1-NH1 3.17Å; D112-R152 IonicContact OD2-CZ 2.68Å; D112-R152 IonicContact OD2-NH1 3.58Å; D112-R152 PolarHBondContact OD2-NH1 3.34Å; Y136-R152 HydrophobicContact CD1-CB 3.7Å; Y136-R152 HydrophobicContact CD1-CG 4.17Å; Y136-R152 HydrophobicContact CD2-CB 3.9Å; Y136-R152 HydrophobicContact CE1-CB 3.6Å; Y136-R152 HydrophobicContact CE1-CG 3.84Å; Y136-R152 HydrophobicContact CE2-CB 3.82Å; Y136-R152 HydrophobicContact CG-CB 3.85Å; T148-R152 HydrophobicContact CG2-CG 4.4Å; T148-R152 VanDerWaalsContact O-CG 3.24Å; T148-R152 WeakPolarHBondContact O-CG 3.31Å; T148-R152 PolarHBondContact O-N 3.32Å; P149-R152 PolarHBondContact O-N 2.85Å; F150-R152 VanDerWaalsContact C-N 3.25Å; F150-R152 PolarHBondContact O-N 3.37Å; R152-M155 HydrophobicContact CG-CE 4.45Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 3.23Å; R152-E182 IonicContact NH2-OE1 3.72Å |
| 153 | L | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 174.4 | -74 | 165.6 | 0 | 0 | 0 | 111.3 | E133 Y136 Q137 L140 P149 F150 L156 C157 Y169 | E133-L153 HydrophobicContact CB-CD2 4.38Å; E133-L153 HydrophobicContact CG-CD2 3.88Å; Y136-L153 HydrophobicContact CD2-CD2 4.3Å; Y136-L153 HydrophobicContact CD2-CG 4.49Å; Q137-L153 HydrophobicContact CG-CD1 4.47Å; Q137-L153 HydrophobicContact CG-CD2 4.44Å; L140-L153 HydrophobicContact CD2-CD1 4.07Å; P149-L153 WeakPolarHBondContact O-CB 3.45Å; P149-L153 VanDerWaalsContact O-CG 3.28Å; P149-L153 WeakPolarHBondContact O-CG 3.35Å; P149-L153 PolarHBondContact O-N 3.35Å; F150-L153 PolarHBondContact O-N 2.89Å; L153-L156 WeakPolarHBondContact O-CB 3.14Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-C157 PolarHBondContact O-N 3.49Å; L153-C157 PolarHBondContact O-SG 2.81Å; L153-C157 VanDerWaalsContact O-SG 3.35Å; L153-Y169 HydrophobicContact CB-CD1 3.89Å; L153-Y169 HydrophobicContact CB-CD2 3.69Å; L153-Y169 HydrophobicContact CB-CE1 4.06Å; L153-Y169 HydrophobicContact CB-CE2 3.85Å; L153-Y169 HydrophobicContact CB-CG 3.7Å; L153-Y169 HydrophobicContact CD1-CD1 4.04Å; L153-Y169 HydrophobicContact CD1-CE1 3.7Å; L153-Y169 HydrophobicContact CG-CE1 4.39Å |
| 154 | G | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F150 S151 L156 C157 S158 A166 H170 | F150-G154 PolarHBondContact O-N 2.9Å; S151-G154 PolarHBondContact O-N 3.25Å; G154-L156 VanDerWaalsContact C-N 3.32Å; G154-L156 PolarHBondContact O-N 3.06Å; G154-C157 PolarHBondContact O-N 2.83Å; G154-S158 WeakPolarHBondContact O-CB 3.21Å; G154-S158 PolarHBondContact O-N 3.4Å; G154-S158 PolarHBondContact O-OG 3.19Å; G154-A166 VanDerWaalsContact O-CB 3.24Å; G154-A166 WeakPolarHBondContact O-CB 3.42Å; G154-H170 WeakPolarHBondContact CA-NE2 3.45Å |
| 155 | M | 91.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 24.5 Ų | 24.5 | 14% | 0.143 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 172.4 | -77.5 | -171.3 | -76.7 | 0 | 0 | 112.1 | S151 R152 S158 S159 Y186 | S151-M155 WeakPolarHBondContact O-CG 3.21Å; S151-M155 PolarHBondContact O-N 3.44Å; R152-M155 HydrophobicContact CG-CE 4.45Å; M155-S158 PolarHBondContact O-N 3.39Å; M155-S159 PolarHBondContact O-N 2.92Å; M155-Y186 HydrophobicContact CE-CE2 4.34Å; M155-Y186 HydrophobicContact CG-CE1 4.31Å; M155-Y186 HydrophobicContact CG-CE2 4.48Å; M155-Y186 HydrophobicContact SD-CE1 4.2Å; M155-Y186 HydrophobicContact SD-CE2 4.17Å |
| 156 | L | 90.6 | Very high | 90 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 178.9 | -174.2 | 70.2 | 0 | 0 | 0 | 110.7 | R115 Y129 A132 E133 R152 L153 G154 S158 S159 V160 | R115-L156 HydrophobicContact CG-CD1 4.09Å; Y129-L156 HydrophobicContact CD2-CD1 3.84Å; Y129-L156 HydrophobicContact CD2-CD2 3.78Å; Y129-L156 HydrophobicContact CD2-CG 3.46Å; Y129-L156 VanDerWaalsContact CD2-CG 3.46Å; Y129-L156 HydrophobicContact CE2-CB 4.37Å; Y129-L156 HydrophobicContact CE2-CD1 4.33Å; Y129-L156 HydrophobicContact CE2-CD2 3.73Å; Y129-L156 HydrophobicContact CE2-CG 3.45Å; Y129-L156 VanDerWaalsContact CE2-CG 3.45Å; Y129-L156 HydrophobicContact CG-CD2 4.34Å; Y129-L156 HydrophobicContact CG-CG 4.4Å; A132-L156 HydrophobicContact CB-CD1 4.17Å; A132-L156 HydrophobicContact CB-CD2 3.94Å; E133-L156 HydrophobicContact CB-CD2 3.79Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 3.23Å; L153-L156 WeakPolarHBondContact O-CB 3.14Å; L153-L156 PolarHBondContact O-N 2.87Å; G154-L156 VanDerWaalsContact C-N 3.32Å; G154-L156 PolarHBondContact O-N 3.06Å; L156-S158 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-N 3.29Å; L156-S159 PolarHBondContact O-OG 3.47Å; L156-V160 PolarHBondContact O-N 3.44Å |
| 157 | C | 89.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | Y129 L153 G154 S159 V160 G161 R162 E165 A166 Y169 | Y129-C157 PolarHBondContact OH-SG 2.95Å; L153-C157 PolarHBondContact O-N 3.49Å; L153-C157 PolarHBondContact O-SG 2.81Å; L153-C157 VanDerWaalsContact O-SG 3.35Å; G154-C157 PolarHBondContact O-N 2.83Å; C157-S159 VanDerWaalsContact C-N 3.27Å; C157-S159 PolarHBondContact O-N 2.95Å; C157-V160 VanDerWaalsContact O-CG2 3.32Å; C157-V160 WeakPolarHBondContact O-CG2 3.33Å; C157-V160 PolarHBondContact O-N 3.43Å; C157-G161 PolarHBondContact O-N 2.88Å; C157-R162 HydrophobicContact CB-CB 4.02Å; C157-R162 WeakPolarHBondContact O-CB 3.32Å; C157-R162 PolarHBondContact O-N 3.4Å; C157-E165 HydrophobicContact CB-CB 4.33Å; C157-A166 HydrophobicContact CB-CB 3.76Å; C157-Y169 VanDerWaalsContact SG-CE2 3.56Å |
| 158 | S | 88.4 | Confident | 90.2 | Very high | 56 Ų | 56 | 22.1 Ų | 22.1 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -57.8 | -41.9 | 176.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | G154 M155 L156 V160 G161 A166 | G154-S158 WeakPolarHBondContact O-CB 3.21Å; G154-S158 PolarHBondContact O-N 3.4Å; G154-S158 PolarHBondContact O-OG 3.19Å; M155-S158 PolarHBondContact O-N 3.39Å; L156-S158 PolarHBondContact O-N 2.92Å; S158-V160 PolarHBondContact O-N 3.5Å; S158-G161 PolarHBondContact O-N 2.93Å; S158-A166 WeakPolarHBondContact OG-CB 3.24Å |
| 159 | S | 83 | Confident | 90.2 | Very high | 82 Ų | 82 | 22 Ų | 22 | 57% | 0.573 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -66.8 | -18.8 | -178.2 | 74.2 | 0 | 0 | 0 | 0 | 114.9 | M155 L156 C157 | M155-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-N 3.29Å; L156-S159 PolarHBondContact O-OG 3.47Å; C157-S159 VanDerWaalsContact C-N 3.27Å; C157-S159 PolarHBondContact O-N 2.95Å |
| 160 | V | 80.2 | Confident | 90.3 | Very high | 41 Ų | 41 | 22.1 Ų | 22.1 | 25% | 0.248 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 13.6 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | V125 Y129 L156 C157 S158 R162 | V125-V160 HydrophobicContact CG1-CG1 4.27Å; Y129-V160 HydrophobicContact CD2-CB 4.22Å; Y129-V160 HydrophobicContact CD2-CG1 3.5Å; Y129-V160 VanDerWaalsContact CD2-CG1 3.5Å; Y129-V160 HydrophobicContact CD2-CG2 3.7Å; Y129-V160 HydrophobicContact CE2-CB 4.42Å; Y129-V160 HydrophobicContact CE2-CG1 4.14Å; Y129-V160 HydrophobicContact CE2-CG2 3.43Å; Y129-V160 VanDerWaalsContact CE2-CG2 3.43Å; Y129-V160 HydrophobicContact CG-CG1 4.24Å; L156-V160 PolarHBondContact O-N 3.44Å; C157-V160 VanDerWaalsContact O-CG2 3.32Å; C157-V160 WeakPolarHBondContact O-CG2 3.33Å; C157-V160 PolarHBondContact O-N 3.43Å; S158-V160 PolarHBondContact O-N 3.5Å; V160-R162 HydrophobicContact CG2-CB 4.16Å; V160-R162 HydrophobicContact CG2-CG 4.02Å |
| 161 | G | 82.6 | Confident | 90.3 | Very high | 55 Ų | 55 | 22 Ų | 22 | 57% | 0.567 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 32 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | C157 S158 P163 | C157-G161 PolarHBondContact O-N 2.88Å; S158-G161 PolarHBondContact O-N 2.93Å; G161-P163 WeakPolarHBondContact O-CD 3.21Å |
| 162 | R | 86.7 | Confident | 90.1 | Very high | 61 Ų | 61 | 22.5 Ų | 22.5 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | trans | -114.1 | 65.2 | -179 | -79 | -178.3 | 72.8 | -162.4 | -1 | 111.9 | Y129 E133 C157 V160 L164 E165 A166 | Y129-R162 PolarHBondContact OH-NH1 3.33Å; E133-R162 IonicContact OE1-NH1 2.66Å; C157-R162 HydrophobicContact CB-CB 4.02Å; C157-R162 WeakPolarHBondContact O-CB 3.32Å; C157-R162 PolarHBondContact O-N 3.4Å; V160-R162 HydrophobicContact CG2-CB 4.16Å; V160-R162 HydrophobicContact CG2-CG 4.02Å; R162-L164 PolarHBondContact O-N 2.71Å; R162-E165 HydrophobicContact CB-CB 4.5Å; R162-E165 WeakPolarHBondContact CB-OE2 3.18Å; R162-E165 VanDerWaalsContact CG-OE2 3.25Å; R162-E165 WeakPolarHBondContact CG-OE2 3.35Å; R162-E165 VanDerWaalsContact CZ-CD 3.41Å; R162-E165 IonicContact CZ-OE1 2.74Å; R162-E165 VanDerWaalsContact CZ-OE1 3.31Å; R162-E165 IonicContact CZ-OE2 3.58Å; R162-E165 IonicContact NE-OE1 3.1Å; R162-E165 PolarHBondContact NE-OE1 3.38Å; R162-E165 IonicContact NE-OE2 3.49Å; R162-E165 PolarHBondContact NE-OE2 3.02Å; R162-E165 IonicContact NH2-OE1 2.7Å; R162-E165 PolarHBondContact NH2-OE1 3.4Å; R162-E165 IonicContact NH2-OE2 3.67Å; R162-E165 PolarHBondContact O-N 3.34Å; R162-A166 WeakPolarHBondContact O-CB 3.3Å; R162-A166 PolarHBondContact O-N 2.85Å | ||
| 163 | P | 90.2 | Very high | 90 | Very high | 35 Ų | 35 | 20.1 Ų | 20.1 | 23% | 0.227 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.8 | -30.4 | -167.5 | 30.8 | -39 | 0 | 0 | 0 | 114.1 | G161 A166 A167 I222 L226 | G161-P163 WeakPolarHBondContact O-CD 3.21Å; P163-A166 PolarHBondContact O-N 3.19Å; P163-A167 VanDerWaalsContact O-CB 3.23Å; P163-A167 WeakPolarHBondContact O-CB 3.44Å; P163-A167 PolarHBondContact O-N 2.83Å; P163-I222 HydrophobicContact CG-CG2 3.53Å; P163-L226 HydrophobicContact CB-CD1 3.93Å; P163-L226 HydrophobicContact CG-CD1 4.49Å |
| 164 | L | 89.4 | Confident | 89.9 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -41.6 | 174 | -82.6 | 172.7 | 0 | 0 | 0 | 112 | R162 A166 A167 C168 I222 L226 T279 L283 I286 | R162-L164 PolarHBondContact O-N 2.71Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 3Å; L164-C168 WeakPolarHBondContact O-CB 3.16Å; L164-C168 PolarHBondContact O-N 3.35Å; L164-I222 HydrophobicContact CD1-CB 4.42Å; L164-I222 HydrophobicContact CD1-CG1 3.86Å; L164-I222 HydrophobicContact CD1-CG2 4.31Å; L164-I222 HydrophobicContact CG-CG1 4.44Å; L164-I222 HydrophobicContact CG-CG2 3.99Å; L164-L226 HydrophobicContact CD2-CD2 3.85Å; L164-L226 HydrophobicContact CD2-CG 3.93Å; L164-T279 HydrophobicContact CB-CG2 4.25Å; L164-T279 HydrophobicContact CD1-CG2 3.52Å; L164-L283 HydrophobicContact CD2-CD1 4.17Å; L164-I286 HydrophobicContact CD2-CD1 4.23Å; L164-I286 WeakPolarHBondContact O-CD1 3.27Å |
| 165 | E | 90.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.3 | -36.3 | 176.8 | -66.4 | 127.3 | 147 | 0 | 0 | 111 | C157 R162 C168 Y169 S282 | C157-E165 HydrophobicContact CB-CB 4.33Å; R162-E165 HydrophobicContact CB-CB 4.5Å; R162-E165 WeakPolarHBondContact CB-OE2 3.18Å; R162-E165 VanDerWaalsContact CG-OE2 3.25Å; R162-E165 WeakPolarHBondContact CG-OE2 3.35Å; R162-E165 VanDerWaalsContact CZ-CD 3.41Å; R162-E165 IonicContact CZ-OE1 2.74Å; R162-E165 VanDerWaalsContact CZ-OE1 3.31Å; R162-E165 IonicContact CZ-OE2 3.58Å; R162-E165 IonicContact NE-OE1 3.1Å; R162-E165 PolarHBondContact NE-OE1 3.38Å; R162-E165 IonicContact NE-OE2 3.49Å; R162-E165 PolarHBondContact NE-OE2 3.02Å; R162-E165 IonicContact NH2-OE1 2.7Å; R162-E165 PolarHBondContact NH2-OE1 3.4Å; R162-E165 IonicContact NH2-OE2 3.67Å; R162-E165 PolarHBondContact O-N 3.34Å; E165-C168 WeakPolarHBondContact O-CB 3.36Å; E165-C168 PolarHBondContact O-N 2.97Å; E165-Y169 WeakPolarHBondContact O-CD2 3.48Å; E165-Y169 PolarHBondContact O-N 3.45Å; E165-S282 WeakPolarHBondContact CG-OG 3.39Å |
| 166 | A | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G154 C157 S158 R162 P163 L164 C168 Y169 H170 L190 | G154-A166 VanDerWaalsContact O-CB 3.24Å; G154-A166 WeakPolarHBondContact O-CB 3.42Å; C157-A166 HydrophobicContact CB-CB 3.76Å; S158-A166 WeakPolarHBondContact OG-CB 3.24Å; R162-A166 WeakPolarHBondContact O-CB 3.3Å; R162-A166 PolarHBondContact O-N 2.85Å; P163-A166 PolarHBondContact O-N 3.19Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-C168 VanDerWaalsContact C-N 3.3Å; A166-C168 PolarHBondContact O-N 3.32Å; A166-Y169 PolarHBondContact O-N 2.87Å; A166-H170 PolarHBondContact O-CD2 2.86Å; A166-H170 PolarHBondContact O-N 3.4Å; A166-L190 HydrophobicContact CB-CD1 3.61Å |
| 167 | A | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | P163 L164 H170 L171 F187 L190 L226 I286 | P163-A167 VanDerWaalsContact O-CB 3.23Å; P163-A167 WeakPolarHBondContact O-CB 3.44Å; P163-A167 PolarHBondContact O-N 2.83Å; L164-A167 PolarHBondContact O-N 3Å; A167-H170 PolarHBondContact O-N 3.35Å; A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 PolarHBondContact O-N 2.85Å; A167-F187 HydrophobicContact CB-CD2 4.46Å; A167-F187 HydrophobicContact CB-CE2 3.96Å; A167-F187 WeakPolarHBondContact O-CD2 3.47Å; A167-F187 WeakPolarHBondContact O-CE2 3.5Å; A167-L190 HydrophobicContact CB-CD1 4.44Å; A167-L190 HydrophobicContact CB-CD2 3.91Å; A167-L226 HydrophobicContact CB-CD2 3.32Å; A167-I286 HydrophobicContact CB-CD1 3.85Å |
| 168 | C | 92.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | L164 E165 A166 L171 R172 I286 | L164-C168 WeakPolarHBondContact O-CB 3.16Å; L164-C168 PolarHBondContact O-N 3.35Å; E165-C168 WeakPolarHBondContact O-CB 3.36Å; E165-C168 PolarHBondContact O-N 2.97Å; A166-C168 VanDerWaalsContact C-N 3.3Å; A166-C168 PolarHBondContact O-N 3.32Å; C168-L171 PolarHBondContact O-N 3.21Å; C168-R172 VanDerWaalsContact O-CG 3.27Å; C168-R172 WeakPolarHBondContact O-CG 3.27Å; C168-R172 PolarHBondContact O-N 3.39Å; C168-I286 HydrophobicContact CB-CD1 4.08Å; C168-I286 HydrophobicContact CB-CG1 3.92Å |
| 169 | Y | 93 | Very high | 89.2 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -46 | 177.4 | -73.7 | -56.3 | 0 | 0 | 0 | 112.6 | F150 L153 C157 E165 A166 L171 R172 G173 | F150-Y169 WeakPolarHBondContact CB-O 3.34Å; F150-Y169 HydrophobicContact CD1-CD1 4.14Å; L153-Y169 HydrophobicContact CB-CD1 3.89Å; L153-Y169 HydrophobicContact CB-CD2 3.69Å; L153-Y169 HydrophobicContact CB-CE1 4.06Å; L153-Y169 HydrophobicContact CB-CE2 3.85Å; L153-Y169 HydrophobicContact CB-CG 3.7Å; L153-Y169 HydrophobicContact CD1-CD1 4.04Å; L153-Y169 HydrophobicContact CD1-CE1 3.7Å; L153-Y169 HydrophobicContact CG-CE1 4.39Å; C157-Y169 VanDerWaalsContact SG-CE2 3.56Å; E165-Y169 WeakPolarHBondContact O-CD2 3.48Å; E165-Y169 PolarHBondContact O-N 3.45Å; A166-Y169 PolarHBondContact O-N 2.87Å; Y169-L171 PolarHBondContact O-N 2.94Å; Y169-R172 PolarHBondContact O-N 3.49Å; Y169-G173 PolarHBondContact O-N 3.45Å |
| 170 | H | 94.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 179.5 | -67.8 | -52.2 | 0 | 0 | 0 | 112.7 | S151 G154 A166 A167 G173 S174 S183 Y186 F187 | S151-H170 PolarHBondContact O-CE1 3.41Å; G154-H170 WeakPolarHBondContact CA-NE2 3.45Å; A166-H170 PolarHBondContact O-CD2 2.86Å; A166-H170 PolarHBondContact O-N 3.4Å; A167-H170 PolarHBondContact O-N 3.35Å; H170-G173 PolarHBondContact O-N 2.97Å; H170-S174 WeakPolarHBondContact O-CB 3.37Å; H170-S174 PolarHBondContact O-N 3.03Å; H170-S183 WeakPolarHBondContact O-CB 3.35Å; H170-Y186 WeakPolarHBondContact CE1-CB 3.38Å; H170-Y186 AromaticContact CE1-CG 3.81Å; H170-Y186 WeakPolarHBondContact ND1-CB 3.4Å; H170-F187 HydrophobicContact CB-CB 3.73Å; H170-F187 HydrophobicContact CB-CD2 3.99Å; H170-F187 HydrophobicContact CB-CG 4.29Å |
| 171 | L | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 173.1 | 179.4 | 57.7 | 0 | 0 | 0 | 110.8 | A167 C168 Y169 G173 S174 R175 F187 Y233 I286 E289 L290 | A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 PolarHBondContact O-N 2.85Å; C168-L171 PolarHBondContact O-N 3.21Å; Y169-L171 PolarHBondContact O-N 2.94Å; L171-G173 PolarHBondContact O-N 3.46Å; L171-S174 WeakPolarHBondContact O-CB 3.43Å; L171-S174 PolarHBondContact O-N 3.49Å; L171-S174 VanDerWaalsContact O-N 3.09Å; L171-S174 PolarHBondContact O-OG 3.42Å; L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 3.16Å; L171-F187 HydrophobicContact CB-CD2 4.21Å; L171-F187 HydrophobicContact CB-CE1 4.32Å; L171-F187 HydrophobicContact CB-CE2 3.86Å; L171-F187 HydrophobicContact CB-CZ 3.92Å; L171-F187 HydrophobicContact CD1-CD1 4.36Å; L171-F187 HydrophobicContact CD1-CE1 3.82Å; L171-F187 HydrophobicContact CD1-CZ 4.07Å; L171-F187 HydrophobicContact CD2-CZ 4.27Å; L171-F187 HydrophobicContact CG-CZ 4.32Å; L171-Y233 HydrophobicContact CD1-CD2 4.11Å; L171-Y233 HydrophobicContact CD1-CE2 3.96Å; L171-I286 HydrophobicContact CD2-CB 4.3Å; L171-I286 HydrophobicContact CD2-CG1 4.32Å; L171-I286 HydrophobicContact CD2-CG2 4.04Å; L171-E289 HydrophobicContact CD2-CB 3.7Å; L171-E289 HydrophobicContact CG-CB 4.17Å; L171-L290 HydrophobicContact CD2-CD2 4.47Å; L171-L290 HydrophobicContact CD2-CG 4.23Å |
| 172 | R | 90 | Very high | 90.4 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.038 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.4 | -70 | 169 | 65.3 | -176.7 | 8.8 | 112.3 | F150 C168 Y169 S174 R175 A176 C424 D427 | F150-R172 HydrophobicContact CD1-CB 3.85Å; F150-R172 HydrophobicContact CE1-CB 3.74Å; F150-R172 HydrophobicContact CZ-CB 4.3Å; C168-R172 VanDerWaalsContact O-CG 3.27Å; C168-R172 WeakPolarHBondContact O-CG 3.27Å; C168-R172 PolarHBondContact O-N 3.39Å; Y169-R172 PolarHBondContact O-N 3.49Å; R172-S174 VanDerWaalsContact C-N 3.26Å; R172-S174 PolarHBondContact O-N 2.94Å; R172-R175 CarbonylContact O-C 3.01Å; R172-R175 WeakPolarHBondContact O-CA 3.39Å; R172-R175 WeakPolarHBondContact O-CB 3.46Å; R172-R175 PolarHBondContact O-N 2.96Å; R172-A176 PolarHBondContact O-N 3.16Å; R172-C424 PolarHBondContact NH1-O 3.47Å; R172-C424 PolarHBondContact NH2-O 2.99Å; R172-D427 IonicContact CZ-OD1 2.65Å; R172-D427 IonicContact CZ-OD2 3.03Å; R172-D427 VanDerWaalsContact NE-CG 3.34Å; R172-D427 IonicContact NE-OD1 3.94Å; R172-D427 PolarHBondContact NE-OD1 3.01Å; R172-D427 VanDerWaalsContact NE-OD1 3.13Å; R172-D427 IonicContact NE-OD2 3.71Å; R172-D427 PolarHBondContact NE-OD2 3.32Å; R172-D427 IonicContact NH2-OD1 3.98Å; R172-D427 PolarHBondContact NH2-OD1 2.91Å; R172-D427 IonicContact NH2-OD2 3.32Å; R172-D427 PolarHBondContact NH2-OD2 3.35Å; R172-D427 VanDerWaalsContact NH2-OD2 3.16Å |
| 173 | G | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -29.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | S147 Y169 H170 L171 R175 A176 S183 | S147-G173 WeakPolarHBondContact CB-O 3.12Å; S147-G173 PolarHBondContact OG-O 3.28Å; Y169-G173 PolarHBondContact O-N 3.45Å; H170-G173 PolarHBondContact O-N 2.97Å; L171-G173 PolarHBondContact O-N 3.46Å; G173-R175 PolarHBondContact O-N 3.35Å; G173-A176 VanDerWaalsContact O-CB 3.3Å; G173-A176 WeakPolarHBondContact O-CB 3.34Å; G173-A176 PolarHBondContact O-N 2.87Å; G173-S183 WeakPolarHBondContact CA-OG 3.47Å |
| 174 | S | 91.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 12% | 0.119 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.4 | -17.7 | 173.4 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | H170 L171 R172 P180 S184 | H170-S174 WeakPolarHBondContact O-CB 3.37Å; H170-S174 PolarHBondContact O-N 3.03Å; L171-S174 WeakPolarHBondContact O-CB 3.43Å; L171-S174 PolarHBondContact O-N 3.49Å; L171-S174 VanDerWaalsContact O-N 3.09Å; L171-S174 PolarHBondContact O-OG 3.42Å; R172-S174 VanDerWaalsContact C-N 3.26Å; R172-S174 PolarHBondContact O-N 2.94Å; S174-P180 WeakPolarHBondContact O-CB 3.22Å; S174-S184 WeakPolarHBondContact CB-OG 2.81Å |
| 175 | R | 88.3 | Confident | 91 | Very high | 79 Ų | 79 | 44 Ų | 44 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -4.1 | 178.6 | -58 | -76.3 | -73.8 | 158.8 | 3.3 | 112.4 | L171 R172 G173 E289 E296 | L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 3.16Å; R172-R175 CarbonylContact O-C 3.01Å; R172-R175 WeakPolarHBondContact O-CA 3.39Å; R172-R175 WeakPolarHBondContact O-CB 3.46Å; R172-R175 PolarHBondContact O-N 2.96Å; G173-R175 PolarHBondContact O-N 3.35Å; R175-E289 IonicContact NE-OE2 2.76Å; R175-E289 PolarHBondContact NE-OE2 3.47Å; R175-E296 IonicContact CZ-OE1 3.35Å; R175-E296 IonicContact CZ-OE2 3.18Å; R175-E296 IonicContact NH1-OE1 3.38Å; R175-E296 IonicContact NH1-OE2 3.16Å; R175-E296 PolarHBondContact NH1-OE2 2.96Å; R175-E296 IonicContact NH2-OE1 3.69Å; R175-E296 PolarHBondContact NH2-OE1 3.33Å; R175-E296 IonicContact NH2-OE2 2.87Å; R175-E296 PolarHBondContact NH2-OE2 3.34Å; R175-E296 VanDerWaalsContact NH2-OE2 3.07Å |
| 176 | A | 87.6 | Confident | 91.2 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | trans | -62.5 | 147 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | D145 R172 G173 E178 | D145-A176 WeakPolarHBondContact O-CB 3.24Å; R172-A176 PolarHBondContact O-N 3.16Å; G173-A176 VanDerWaalsContact O-CB 3.3Å; G173-A176 WeakPolarHBondContact O-CB 3.34Å; G173-A176 PolarHBondContact O-N 2.87Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.78Å | ||
| 177 | K | 87.1 | Confident | 91.2 | Very high | 157 Ų | 157 | 47.4 Ų | 47.4 | 68% | 0.683 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -70.7 | -32.2 | -178.4 | -60.1 | -176.4 | -169 | 126.4 | 0 | 112 | D145 | D145-K177 HydrophobicContact CB-CB 4.25Å; D145-K177 HydrophobicContact CB-CD 4.41Å; D145-K177 HydrophobicContact CB-CG 4.46Å; D145-K177 PolarHBondContact O-N 3.38Å; D145-K177 WeakPolarHBondContact OD1-CE 3.44Å; D145-K177 IonicContact OD1-NZ 2.78Å; D145-K177 PolarHBondContact OD1-NZ 3.39Å; D145-K177 IonicContact OD2-NZ 3.9Å; D145-K177 PolarHBondContact OD2-NZ 2.93Å |
| 178 | E | 87.6 | Confident | 91.2 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -110.6 | 126.6 | -175.7 | -61.9 | -175.6 | -177.5 | 0 | 0 | 111.2 | K143 D145 E146 S147 A176 | K143-E178 IonicContact NZ-OE2 3.57Å; D145-E178 PolarHBondContact O-N 3.27Å; E146-E178 HydrophobicContact CG-CB 4.43Å; S147-E178 WeakPolarHBondContact CB-O 3.38Å; S147-E178 PolarHBondContact N-O 2.9Å; S147-E178 VanDerWaalsContact N-O 3.09Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.78Å |
| 179 | R | 87.1 | Confident | 91.2 | Very high | 147 Ų | 147 | 54.8 Ų | 54.8 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | trans | 52.3 | 47.9 | 175.1 | -51.6 | -176.4 | -173.7 | 100 | -1.9 | 115.5 | E146 S147 D181 | E146-R179 IonicContact OE1-CZ 3.16Å; E146-R179 IonicContact OE1-NH1 2.91Å; E146-R179 PolarHBondContact OE1-NH1 2.76Å; E146-R179 IonicContact OE2-CZ 2.8Å; E146-R179 IonicContact OE2-NH1 2.65Å; E146-R179 PolarHBondContact OE2-NH1 2.56Å; S147-R179 WeakPolarHBondContact CB-O 3.2Å; S147-R179 PolarHBondContact OG-O 3.44Å; R179-D181 PolarHBondContact O-N 2.86Å; R179-D181 VanDerWaalsContact O-N 3.13Å | ||
| 180 | P | 90.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.9 | -176.1 | 29.3 | -36.6 | 0 | 0 | 0 | 114.6 | S174 E182 S183 S184 | S174-P180 WeakPolarHBondContact O-CB 3.22Å; P180-E182 PolarHBondContact O-N 3.46Å; P180-S183 PolarHBondContact O-N 3.31Å; P180-S184 WeakPolarHBondContact O-CB 3.44Å; P180-S184 PolarHBondContact O-N 3.42Å; P180-S184 PolarHBondContact O-OG 3.2Å |
| 181 | D | 91.5 | Very high | 91.1 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 60% | 0.599 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | -171.2 | -63.2 | -28.9 | 0 | 0 | 0 | 113.1 | R179 S184 Q185 | R179-D181 PolarHBondContact O-N 2.86Å; R179-D181 VanDerWaalsContact O-N 3.13Å; D181-S184 PolarHBondContact O-N 3.17Å; D181-Q185 VanDerWaalsContact O-CG 3.28Å; D181-Q185 WeakPolarHBondContact O-CG 3.23Å; D181-Q185 PolarHBondContact O-N 3.1Å |
| 182 | E | 90.2 | Very high | 91 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 27% | 0.271 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | -178.4 | -174.8 | -174.3 | -160.2 | 0 | 0 | 110.9 | S151 R152 P180 S184 Q185 Y186 | S151-E182 PolarHBondContact OG-OE2 2.65Å; R152-E182 IonicContact NH2-OE1 3.72Å; P180-E182 PolarHBondContact O-N 3.46Å; E182-S184 VanDerWaalsContact C-N 3.33Å; E182-S184 PolarHBondContact O-N 3.29Å; E182-Q185 PolarHBondContact O-N 2.97Å; E182-Y186 HydrophobicContact CG-CD2 3.84Å; E182-Y186 HydrophobicContact CG-CE2 3.5Å; E182-Y186 VanDerWaalsContact CG-CE2 3.5Å; E182-Y186 WeakPolarHBondContact O-CD2 3.49Å; E182-Y186 PolarHBondContact O-N 2.77Å |
| 183 | S | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.3 | -85.2 | 0 | 0 | 0 | 0 | 112.4 | S147 S151 H170 G173 P180 Q185 Y186 F187 | S147-S183 VanDerWaalsContact OG-CB 3.24Å; S147-S183 WeakPolarHBondContact OG-CB 3.46Å; S147-S183 PolarHBondContact OG-OG 2.73Å; S147-S183 VanDerWaalsContact OG-OG 3.06Å; S151-S183 PolarHBondContact N-OG 3.28Å; S151-S183 PolarHBondContact OG-N 3.02Å; S151-S183 PolarHBondContact OG-OG 2.79Å; H170-S183 WeakPolarHBondContact O-CB 3.35Å; G173-S183 WeakPolarHBondContact CA-OG 3.47Å; P180-S183 PolarHBondContact O-N 3.31Å; S183-Q185 VanDerWaalsContact C-N 3.34Å; S183-Q185 PolarHBondContact O-N 3.46Å; S183-Y186 PolarHBondContact O-N 3.33Å; S183-F187 WeakPolarHBondContact O-CB 3.37Å; S183-F187 PolarHBondContact O-N 3.28Å |
| 184 | S | 92.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | S174 P180 D181 E182 S188 | S174-S184 WeakPolarHBondContact CB-OG 2.81Å; P180-S184 WeakPolarHBondContact O-CB 3.44Å; P180-S184 PolarHBondContact O-N 3.42Å; P180-S184 PolarHBondContact O-OG 3.2Å; D181-S184 PolarHBondContact O-N 3.17Å; E182-S184 VanDerWaalsContact C-N 3.33Å; E182-S184 PolarHBondContact O-N 3.29Å; S184-S188 WeakPolarHBondContact O-CB 3.38Å; S184-S188 PolarHBondContact O-N 3.46Å; S184-S188 PolarHBondContact O-OG 2.79Å |
| 185 | Q | 93.4 | Very high | 90.9 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.5 | -46.9 | 175.7 | -71.9 | 173.2 | 27.2 | 0 | 0 | 111.4 | D181 E182 S183 F187 S188 L189 | D181-Q185 VanDerWaalsContact O-CG 3.28Å; D181-Q185 WeakPolarHBondContact O-CG 3.23Å; D181-Q185 PolarHBondContact O-N 3.1Å; E182-Q185 PolarHBondContact O-N 2.97Å; S183-Q185 VanDerWaalsContact C-N 3.34Å; S183-Q185 PolarHBondContact O-N 3.46Å; Q185-F187 VanDerWaalsContact C-N 3.35Å; Q185-F187 PolarHBondContact O-N 3.13Å; Q185-S188 PolarHBondContact O-N 3.09Å; Q185-L189 WeakPolarHBondContact O-CB 3.34Å; Q185-L189 PolarHBondContact O-N 3.49Å |
| 186 | Y | 93.9 | Very high | 90.9 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.8 | -77 | -59.2 | 0 | 0 | 0 | 112.7 | M155 H170 E182 S183 L189 L190 | M155-Y186 HydrophobicContact CE-CE2 4.34Å; M155-Y186 HydrophobicContact CG-CE1 4.31Å; M155-Y186 HydrophobicContact CG-CE2 4.48Å; M155-Y186 HydrophobicContact SD-CE1 4.2Å; M155-Y186 HydrophobicContact SD-CE2 4.17Å; H170-Y186 WeakPolarHBondContact CE1-CB 3.38Å; H170-Y186 AromaticContact CE1-CG 3.81Å; H170-Y186 WeakPolarHBondContact ND1-CB 3.4Å; E182-Y186 HydrophobicContact CG-CD2 3.84Å; E182-Y186 HydrophobicContact CG-CE2 3.5Å; E182-Y186 VanDerWaalsContact CG-CE2 3.5Å; E182-Y186 WeakPolarHBondContact O-CD2 3.49Å; E182-Y186 PolarHBondContact O-N 2.77Å; S183-Y186 PolarHBondContact O-N 3.33Å; Y186-L189 PolarHBondContact O-N 3.35Å; Y186-L190 VanDerWaalsContact O-CB 3.29Å; Y186-L190 WeakPolarHBondContact O-CB 3.27Å; Y186-L190 PolarHBondContact O-N 2.88Å |
| 187 | F | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.4 | -169.7 | -126.5 | 0 | 0 | 0 | 111 | A167 H170 L171 S183 Q185 L189 L190 L191 Y233 | A167-F187 HydrophobicContact CB-CD2 4.46Å; A167-F187 HydrophobicContact CB-CE2 3.96Å; A167-F187 WeakPolarHBondContact O-CD2 3.47Å; A167-F187 WeakPolarHBondContact O-CE2 3.5Å; H170-F187 HydrophobicContact CB-CB 3.73Å; H170-F187 HydrophobicContact CB-CD2 3.99Å; H170-F187 HydrophobicContact CB-CG 4.29Å; L171-F187 HydrophobicContact CB-CD2 4.21Å; L171-F187 HydrophobicContact CB-CE1 4.32Å; L171-F187 HydrophobicContact CB-CE2 3.86Å; L171-F187 HydrophobicContact CB-CZ 3.92Å; L171-F187 HydrophobicContact CD1-CD1 4.36Å; L171-F187 HydrophobicContact CD1-CE1 3.82Å; L171-F187 HydrophobicContact CD1-CZ 4.07Å; L171-F187 HydrophobicContact CD2-CZ 4.27Å; L171-F187 HydrophobicContact CG-CZ 4.32Å; S183-F187 WeakPolarHBondContact O-CB 3.37Å; S183-F187 PolarHBondContact O-N 3.28Å; Q185-F187 VanDerWaalsContact C-N 3.35Å; Q185-F187 PolarHBondContact O-N 3.13Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 3.1Å; F187-L190 PolarHBondContact O-N 3.09Å; F187-L191 HydrophobicContact CD1-CD1 3.71Å; F187-L191 HydrophobicContact CD2-CD1 4.28Å; F187-L191 HydrophobicContact CD2-CG 4.39Å; F187-L191 HydrophobicContact CE1-CD1 3.42Å; F187-L191 VanDerWaalsContact CE1-CD1 3.42Å; F187-L191 HydrophobicContact CE1-CG 4.43Å; F187-L191 HydrophobicContact CE2-CD1 4.02Å; F187-L191 HydrophobicContact CE2-CD2 4.29Å; F187-L191 HydrophobicContact CE2-CG 4.19Å; F187-L191 HydrophobicContact CG-CD1 4.14Å; F187-L191 HydrophobicContact CZ-CD1 3.6Å; F187-L191 HydrophobicContact CZ-CD2 4.3Å; F187-L191 HydrophobicContact CZ-CG 4.22Å; F187-L191 WeakPolarHBondContact O-CB 3.38Å; F187-L191 VanDerWaalsContact O-CG 3.25Å; F187-L191 WeakPolarHBondContact O-CG 3.06Å; F187-L191 PolarHBondContact O-N 3.48Å; F187-Y233 AromaticContact CD1-CD1 3.85Å; F187-Y233 HydrophobicContact CD1-CD1 3.85Å; F187-Y233 HydrophobicContact CD1-CD2 4.08Å; F187-Y233 AromaticContact CD1-CE1 3.66Å; F187-Y233 HydrophobicContact CD1-CE1 3.66Å; F187-Y233 AromaticContact CD1-CE2 3.89Å; F187-Y233 HydrophobicContact CD1-CE2 3.89Å; F187-Y233 HydrophobicContact CD1-CG 4.06Å; F187-Y233 AromaticContact CD1-CZ 3.67Å; F187-Y233 AromaticContact CE1-CD1 3.78Å; F187-Y233 HydrophobicContact CE1-CD1 3.78Å; F187-Y233 AromaticContact CE1-CD2 3.57Å; F187-Y233 HydrophobicContact CE1-CD2 3.57Å; F187-Y233 HydrophobicContact CE1-CE1 4.03Å; F187-Y233 AromaticContact CE1-CE2 3.82Å; F187-Y233 HydrophobicContact CE1-CE2 3.82Å; F187-Y233 AromaticContact CE1-CG 3.53Å; F187-Y233 HydrophobicContact CE1-CG 3.53Å |
| 188 | S | 92.2 | Very high | 90.9 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.7 | -59 | 0 | 0 | 0 | 0 | 112.1 | S184 Q185 T192 | S184-S188 WeakPolarHBondContact O-CB 3.38Å; S184-S188 PolarHBondContact O-N 3.46Å; S184-S188 PolarHBondContact O-OG 2.79Å; Q185-S188 PolarHBondContact O-N 3.09Å; S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.1Å; S188-T192 PolarHBondContact O-OG1 3.01Å |
| 189 | L | 92.9 | Very high | 90.9 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 175.9 | -179.1 | 64.3 | 0 | 0 | 0 | 111.7 | Q185 Y186 F187 L191 T192 E193 | Q185-L189 WeakPolarHBondContact O-CB 3.34Å; Q185-L189 PolarHBondContact O-N 3.49Å; Y186-L189 PolarHBondContact O-N 3.35Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 3.1Å; L189-L191 PolarHBondContact O-N 3.21Å; L189-T192 WeakPolarHBondContact O-CB 3.44Å; L189-T192 PolarHBondContact O-N 3.31Å; L189-T192 VanDerWaalsContact O-N 3.15Å; L189-E193 PolarHBondContact O-N 3.11Å |
| 190 | L | 93.5 | Very high | 90.8 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 178.3 | -178.2 | 155.4 | 0 | 0 | 0 | 111.1 | A166 A167 Y186 F187 T192 E193 N194 L226 | A166-L190 HydrophobicContact CB-CD1 3.61Å; A167-L190 HydrophobicContact CB-CD1 4.44Å; A167-L190 HydrophobicContact CB-CD2 3.91Å; Y186-L190 VanDerWaalsContact O-CB 3.29Å; Y186-L190 WeakPolarHBondContact O-CB 3.27Å; Y186-L190 PolarHBondContact O-N 2.88Å; F187-L190 PolarHBondContact O-N 3.09Å; L190-T192 VanDerWaalsContact C-N 3.28Å; L190-T192 PolarHBondContact O-N 2.89Å; L190-E193 PolarHBondContact O-N 3.41Å; L190-N194 WeakPolarHBondContact O-CB 3.1Å; L190-N194 PolarHBondContact O-N 3.03Å; L190-L226 HydrophobicContact CD2-CD1 3.98Å; L190-L226 HydrophobicContact CD2-CD2 4.25Å |
| 191 | L | 91.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 177.3 | -67.9 | 173.3 | 0 | 0 | 0 | 112.5 | F187 L189 E195 L226 A229 R230 Y233 | F187-L191 HydrophobicContact CD1-CD1 3.71Å; F187-L191 HydrophobicContact CD2-CD1 4.28Å; F187-L191 HydrophobicContact CD2-CG 4.39Å; F187-L191 HydrophobicContact CE1-CD1 3.42Å; F187-L191 VanDerWaalsContact CE1-CD1 3.42Å; F187-L191 HydrophobicContact CE1-CG 4.43Å; F187-L191 HydrophobicContact CE2-CD1 4.02Å; F187-L191 HydrophobicContact CE2-CD2 4.29Å; F187-L191 HydrophobicContact CE2-CG 4.19Å; F187-L191 HydrophobicContact CG-CD1 4.14Å; F187-L191 HydrophobicContact CZ-CD1 3.6Å; F187-L191 HydrophobicContact CZ-CD2 4.3Å; F187-L191 HydrophobicContact CZ-CG 4.22Å; F187-L191 WeakPolarHBondContact O-CB 3.38Å; F187-L191 VanDerWaalsContact O-CG 3.25Å; F187-L191 WeakPolarHBondContact O-CG 3.06Å; F187-L191 PolarHBondContact O-N 3.48Å; L189-L191 PolarHBondContact O-N 3.21Å; L191-E195 PolarHBondContact O-N 3.11Å; L191-L226 HydrophobicContact CD2-CB 4.29Å; L191-L226 HydrophobicContact CD2-CD2 4.25Å; L191-L226 VanDerWaalsContact CD2-O 3.27Å; L191-L226 WeakPolarHBondContact CD2-O 3.48Å; L191-A229 HydrophobicContact CD2-CB 4.31Å; L191-R230 HydrophobicContact CB-CB 3.97Å; L191-R230 HydrophobicContact CB-CG 4Å; L191-R230 HydrophobicContact CD1-CB 4.13Å; L191-R230 HydrophobicContact CD1-CG 4.41Å; L191-R230 HydrophobicContact CD2-CB 4.05Å; L191-R230 HydrophobicContact CG-CB 4.28Å; L191-R230 WeakPolarHBondContact O-CD 3.42Å; L191-R230 PolarHBondContact O-NH1 3.03Å; L191-R230 VanDerWaalsContact O-NH1 3.13Å; L191-Y233 HydrophobicContact CD1-CD1 4.33Å |
| 192 | T | 90.7 | Very high | 89.9 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.3 | -50.5 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S188 L189 L190 N194 E195 R230 | S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.1Å; S188-T192 PolarHBondContact O-OG1 3.01Å; L189-T192 WeakPolarHBondContact O-CB 3.44Å; L189-T192 PolarHBondContact O-N 3.31Å; L189-T192 VanDerWaalsContact O-N 3.15Å; L190-T192 VanDerWaalsContact C-N 3.28Å; L190-T192 PolarHBondContact O-N 2.89Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 2.9Å; T192-E195 PolarHBondContact O-N 3.32Å; T192-R230 VanDerWaalsContact CA-NH1 3.33Å |
| 193 | E | 91.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 178.5 | -171.1 | 57.2 | -153.4 | 0 | 0 | 111.8 | L189 L190 E195 R196 H197 | L189-E193 PolarHBondContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 3.41Å; E193-E195 VanDerWaalsContact C-N 3.29Å; E193-E195 PolarHBondContact O-N 3.11Å; E193-R196 WeakPolarHBondContact O-CB 3.34Å; E193-R196 PolarHBondContact O-N 3.21Å; E193-R196 VanDerWaalsContact O-N 3.11Å; E193-R196 IonicContact OE1-CZ 2.82Å; E193-R196 IonicContact OE1-NE 2.71Å; E193-R196 PolarHBondContact OE1-NE 3.16Å; E193-R196 IonicContact OE1-NH2 2.62Å; E193-R196 PolarHBondContact OE1-NH2 3.23Å; E193-R196 IonicContact OE2-NE 3.4Å; E193-H197 PolarHBondContact O-CD2 3.21Å; E193-H197 PolarHBondContact O-N 3.45Å; E193-H197 VanDerWaalsContact O-N 3.12Å; E193-H197 IonicContact OE1-CD2 3.29Å; E193-H197 IonicContact OE1-NE2 3.3Å; E193-H197 PolarHBondContact OE1-NE2 3.42Å |
| 194 | N | 91.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -37.9 | 176.2 | 179.7 | 83.7 | 0 | 0 | 0 | 113.1 | L190 T192 R196 H197 H198 Y223 L226 R227 | L190-N194 WeakPolarHBondContact O-CB 3.1Å; L190-N194 PolarHBondContact O-N 3.03Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 2.9Å; N194-R196 VanDerWaalsContact C-N 3.3Å; N194-R196 PolarHBondContact O-N 3.45Å; N194-H197 PolarHBondContact O-N 3.36Å; N194-H198 PolarHBondContact O-N 2.96Å; N194-Y223 PolarHBondContact ND2-O 3.16Å; N194-Y223 WeakPolarHBondContact OD1-CA 3.28Å; N194-Y223 VanDerWaalsContact OD1-CD1 3.26Å; N194-Y223 WeakPolarHBondContact OD1-CD1 3.49Å; N194-L226 HydrophobicContact CB-CB 4.25Å; N194-L226 HydrophobicContact CB-CD1 4.4Å; N194-L226 VanDerWaalsContact ND2-CB 3.27Å; N194-L226 WeakPolarHBondContact ND2-CB 3.4Å; N194-L226 WeakPolarHBondContact OD1-CB 3.34Å; N194-L226 VanDerWaalsContact OD1-CD1 3.29Å; N194-L226 WeakPolarHBondContact OD1-CD1 3.38Å; N194-R227 PolarHBondContact ND2-N 3.46Å |
| 195 | E | 87.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.1 | 179.7 | 174.2 | -139.1 | 0 | 0 | 111.2 | L191 T192 E193 H197 H198 Y199 R230 | L191-E195 PolarHBondContact O-N 3.11Å; T192-E195 PolarHBondContact O-N 3.32Å; E193-E195 VanDerWaalsContact C-N 3.29Å; E193-E195 PolarHBondContact O-N 3.11Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 3.45Å; E195-H198 PolarHBondContact O-N 3.47Å; E195-Y199 HydrophobicContact CG-CD2 3.97Å; E195-Y199 HydrophobicContact CG-CE2 3.46Å; E195-Y199 VanDerWaalsContact CG-CE2 3.46Å; E195-Y199 WeakPolarHBondContact O-CD2 3.42Å; E195-Y199 PolarHBondContact O-N 3.31Å; E195-R230 IonicContact OE2-CZ 2.8Å; E195-R230 IonicContact OE2-NH1 3.64Å; E195-R230 PolarHBondContact OE2-NH1 3.1Å; E195-R230 IonicContact OE2-NH2 2.74Å; E195-R230 PolarHBondContact OE2-NH2 3.28Å |
| 196 | R | 89.2 | Confident | 86.6 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.4 | -167 | -177.2 | 74.1 | 84.3 | 3.5 | 111.5 | E193 N194 Y199 L200 | E193-R196 WeakPolarHBondContact O-CB 3.34Å; E193-R196 PolarHBondContact O-N 3.21Å; E193-R196 VanDerWaalsContact O-N 3.11Å; E193-R196 IonicContact OE1-CZ 2.82Å; E193-R196 IonicContact OE1-NE 2.71Å; E193-R196 PolarHBondContact OE1-NE 3.16Å; E193-R196 IonicContact OE1-NH2 2.62Å; E193-R196 PolarHBondContact OE1-NH2 3.23Å; E193-R196 IonicContact OE2-NE 3.4Å; N194-R196 VanDerWaalsContact C-N 3.3Å; N194-R196 PolarHBondContact O-N 3.45Å; R196-Y199 PolarHBondContact O-N 3.13Å; R196-L200 HydrophobicContact CG-CD1 4.39Å; R196-L200 WeakPolarHBondContact O-CG 3.49Å; R196-L200 PolarHBondContact O-N 3.43Å; R196-L200 VanDerWaalsContact O-N 3.16Å |
| 197 | H | 88.3 | Confident | 85.3 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 177.1 | -74.2 | -67.7 | 0 | 0 | 0 | 113.3 | E193 N194 E195 L200 S201 Y223 | E193-H197 PolarHBondContact O-CD2 3.21Å; E193-H197 PolarHBondContact O-N 3.45Å; E193-H197 VanDerWaalsContact O-N 3.12Å; E193-H197 IonicContact OE1-CD2 3.29Å; E193-H197 IonicContact OE1-NE2 3.3Å; E193-H197 PolarHBondContact OE1-NE2 3.42Å; N194-H197 PolarHBondContact O-N 3.36Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 3.45Å; H197-L200 PolarHBondContact O-N 3.27Å; H197-S201 VanDerWaalsContact O-CB 3.29Å; H197-S201 WeakPolarHBondContact O-CB 3.39Å; H197-S201 PolarHBondContact O-N 2.9Å; H197-Y223 HydrophobicContact CB-CD1 4.03Å; H197-Y223 HydrophobicContact CB-CD2 4.38Å; H197-Y223 HydrophobicContact CB-CE1 3.68Å; H197-Y223 HydrophobicContact CB-CE2 4.07Å; H197-Y223 HydrophobicContact CB-CG 4.37Å |
| 198 | H | 87.2 | Confident | 83.8 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 175.2 | 178.3 | -92.7 | 0 | 0 | 0 | 111.4 | N194 E195 S201 A202 R227 E250 | N194-H198 PolarHBondContact O-N 2.96Å; E195-H198 PolarHBondContact O-N 3.47Å; H198-S201 PolarHBondContact O-N 3.4Å; H198-A202 WeakPolarHBondContact O-CB 3.29Å; H198-A202 PolarHBondContact O-N 2.69Å; H198-R227 PolarHBondContact CE1-NH1 2.82Å; H198-E250 IonicContact CE1-OE1 3.62Å; H198-E250 IonicContact CE1-OE2 2.68Å; H198-E250 IonicContact NE2-OE1 2.71Å; H198-E250 PolarHBondContact NE2-OE1 2.62Å; H198-E250 IonicContact NE2-OE2 3.07Å |
| 199 | Y | 86.4 | Confident | 82.2 | Confident | 116 Ų | 116 | 71 Ų | 71 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 179.8 | -72.5 | -64.1 | 0 | 0 | 0 | 112.4 | E195 R196 A202 E203 | E195-Y199 HydrophobicContact CG-CD2 3.97Å; E195-Y199 HydrophobicContact CG-CE2 3.46Å; E195-Y199 VanDerWaalsContact CG-CE2 3.46Å; E195-Y199 WeakPolarHBondContact O-CD2 3.42Å; E195-Y199 PolarHBondContact O-N 3.31Å; R196-Y199 PolarHBondContact O-N 3.13Å; Y199-A202 PolarHBondContact O-N 2.74Å; Y199-E203 PolarHBondContact O-N 2.98Å |
| 200 | L | 85.6 | Confident | 80.5 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.4 | -69.5 | 172.6 | 0 | 0 | 0 | 111.9 | R196 H197 A202 E203 E204 | R196-L200 HydrophobicContact CG-CD1 4.39Å; R196-L200 WeakPolarHBondContact O-CG 3.49Å; R196-L200 PolarHBondContact O-N 3.43Å; R196-L200 VanDerWaalsContact O-N 3.16Å; H197-L200 PolarHBondContact O-N 3.27Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.15Å; L200-E203 PolarHBondContact O-N 3.42Å; L200-E204 WeakPolarHBondContact O-CG 2.98Å; L200-E204 PolarHBondContact O-N 2.87Å |
| 201 | S | 81.5 | Confident | 78.5 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | H197 H198 R205 | H197-S201 VanDerWaalsContact O-CB 3.29Å; H197-S201 WeakPolarHBondContact O-CB 3.39Å; H197-S201 PolarHBondContact O-N 2.9Å; H198-S201 PolarHBondContact O-N 3.4Å; S201-R205 WeakPolarHBondContact O-CG 3.28Å; S201-R205 PolarHBondContact O-N 3.48Å; S201-R205 VanDerWaalsContact O-N 3.11Å; S201-R205 PolarHBondContact O-NE 2.96Å |
| 202 | A | 80.8 | Confident | 76.8 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 21% | 0.207 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.5 | -35 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H198 Y199 L200 | H198-A202 WeakPolarHBondContact O-CB 3.29Å; H198-A202 PolarHBondContact O-N 2.69Å; Y199-A202 PolarHBondContact O-N 2.74Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.15Å |
| 203 | E | 80.1 | Confident | 75.3 | Confident | 131 Ų | 131 | 89 Ų | 89 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.2 | -43.6 | 173.7 | -72 | -175.9 | 165.3 | 0 | 0 | 111.9 | Y199 L200 R205 K206 | Y199-E203 PolarHBondContact O-N 2.98Å; L200-E203 PolarHBondContact O-N 3.42Å; E203-R205 VanDerWaalsContact C-N 3.33Å; E203-R205 PolarHBondContact O-N 3.39Å; E203-K206 WeakPolarHBondContact O-CB 3.12Å; E203-K206 PolarHBondContact O-N 3.33Å; E203-K206 VanDerWaalsContact O-N 3.11Å |
| 204 | E | 75.8 | Confident | 73.6 | Confident | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.9 | -72.5 | -179.8 | 176.5 | 0 | 0 | 111.9 | L200 K206 G207 T208 H216 | L200-E204 WeakPolarHBondContact O-CG 2.98Å; L200-E204 PolarHBondContact O-N 2.87Å; E204-K206 PolarHBondContact O-N 3.28Å; E204-K206 VanDerWaalsContact O-N 3.16Å; E204-G207 PolarHBondContact O-N 3.14Å; E204-T208 WeakPolarHBondContact O-CG2 3.37Å; E204-T208 PolarHBondContact O-N 2.83Å; E204-T208 PolarHBondContact O-OG1 3.44Å; E204-H216 IonicContact OE2-CE1 3.74Å |
| 205 | R | 72.1 | Confident | 72 | Confident | 65 Ų | 65 | 91.6 Ų | 91.6 | 25% | 0.245 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.8 | -25.7 | 177 | -77.4 | -175.7 | -70.7 | 156.9 | -3.6 | 113.6 | S201 E203 G207 H216 E250 | S201-R205 WeakPolarHBondContact O-CG 3.28Å; S201-R205 PolarHBondContact O-N 3.48Å; S201-R205 VanDerWaalsContact O-N 3.11Å; S201-R205 PolarHBondContact O-NE 2.96Å; E203-R205 VanDerWaalsContact C-N 3.33Å; E203-R205 PolarHBondContact O-N 3.39Å; R205-G207 VanDerWaalsContact C-N 3.3Å; R205-H216 HydrophobicContact CG-CB 3.88Å; R205-E250 IonicContact NH2-OE1 3.73Å |
| 206 | K | 71.8 | Confident | 71.3 | Confident | 185 Ų | 185 | 90.1 Ų | 90.1 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.2 | -20.1 | 175.8 | -67.4 | 175 | -176.8 | 174.4 | 0 | 112.8 | E203 E204 | E203-K206 WeakPolarHBondContact O-CB 3.12Å; E203-K206 PolarHBondContact O-N 3.33Å; E203-K206 VanDerWaalsContact O-N 3.11Å; E204-K206 PolarHBondContact O-N 3.28Å; E204-K206 VanDerWaalsContact O-N 3.16Å |
| 207 | G | 67.6 | Low | 70.7 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 74% | 0.742 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -108.1 | -4.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E204 R205 | E204-G207 PolarHBondContact O-N 3.14Å; R205-G207 VanDerWaalsContact C-N 3.3Å |
| 208 | T | 61.2 | Low | 70.2 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 25% | 0.252 | 41% | 0.406 | S | S | . | . | trans | -99.7 | 141.7 | -168.5 | 49.6 | 0 | 0 | 0 | 0 | 115.7 | E204 K212 | E204-T208 WeakPolarHBondContact O-CG2 3.37Å; E204-T208 PolarHBondContact O-N 2.83Å; E204-T208 PolarHBondContact O-OG1 3.44Å; T208-K212 HydrophobicContact CG2-CB 4.27Å; T208-K212 HydrophobicContact CG2-CD 4.02Å | ||
| 209 | D | 59.7 | Low | 70 | Confident | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 42% | 0.418 | S | S | * | . | trans | -62.7 | 149.1 | 169.1 | -165 | 3.3 | 0 | 0 | 0 | 112.1 | R211 K212 | D209-R211 PolarHBondContact O-N 3.16Å; D209-K212 PolarHBondContact O-N 3.43Å | ||
| 210 | K | 57.5 | Low | 70 | Confident | 184 Ų | 184 | 80.5 Ų | 80.5 | 80% | 0.8 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -6.3 | -169.3 | -72.8 | -176 | 178.5 | 179.3 | 0 | 116.2 | T213 | K210-T213 WeakPolarHBondContact CA-OG1 3.15Å; K210-T213 PolarHBondContact O-OG1 3.37Å |
| 211 | R | 50.6 | Low | 70 | Confident | 228 Ų | 228 | 77.1 Ų | 77.1 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -24 | 176.7 | -74.5 | -173.7 | 178.4 | -178.2 | 1 | 113.7 | D209 T213 | D209-R211 PolarHBondContact O-N 3.16Å; R211-T213 VanDerWaalsContact C-N 3.3Å |
| 212 | K | 55.8 | Low | 70.3 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.1 | 174.2 | -72.1 | -173.3 | 175.7 | -175.4 | 0 | 112.2 | T208 D209 E214 H216 | T208-K212 HydrophobicContact CG2-CB 4.27Å; T208-K212 HydrophobicContact CG2-CD 4.02Å; D209-K212 PolarHBondContact O-N 3.43Å; K212-E214 VanDerWaalsContact C-N 3.29Å; K212-E214 PolarHBondContact O-N 2.66Å; K212-H216 VanDerWaalsContact C-CD2 3.47Å; K212-H216 PolarHBondContact O-CD2 3.48Å |
| 213 | T | 58.7 | Low | 70.7 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.9 | -30.9 | -173.1 | 22.2 | 0 | 0 | 0 | 0 | 115 | K210 R211 H216 F217 | K210-T213 WeakPolarHBondContact CA-OG1 3.15Å; K210-T213 PolarHBondContact O-OG1 3.37Å; R211-T213 VanDerWaalsContact C-N 3.3Å; T213-H216 WeakPolarHBondContact O-CB 2.9Å; T213-H216 PolarHBondContact O-N 3.18Å; T213-F217 WeakPolarHBondContact O-CD2 3.5Å; T213-F217 WeakPolarHBondContact O-CE2 3.25Å; T213-F217 WeakPolarHBondContact O-CG 3.49Å; T213-F217 PolarHBondContact O-N 3.3Å; T213-F217 VanDerWaalsContact O-N 3.16Å |
| 214 | E | 57.3 | Low | 71 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.2 | -44.8 | -175.5 | -68.4 | 176.2 | 161.6 | 0 | 0 | 114.2 | K212 H216 F217 L261 R265 | K212-E214 VanDerWaalsContact C-N 3.29Å; K212-E214 PolarHBondContact O-N 2.66Å; E214-H216 PolarHBondContact O-N 2.88Å; E214-F217 PolarHBondContact O-N 3.44Å; E214-F217 VanDerWaalsContact O-N 3.14Å; E214-L261 HydrophobicContact CB-CD1 4.32Å; E214-L261 HydrophobicContact CG-CD1 4.33Å; E214-L261 HydrophobicContact CG-CD2 4.12Å; E214-R265 VanDerWaalsContact CD-CZ 3.43Å; E214-R265 IonicContact OE1-CZ 3.98Å; E214-R265 VanDerWaalsContact OE1-CZ 3.3Å; E214-R265 IonicContact OE1-NE 2.85Å; E214-R265 IonicContact OE1-NH1 3.27Å; E214-R265 IonicContact OE1-NH2 3.88Å; E214-R265 PolarHBondContact OE1-NH2 2.96Å; E214-R265 IonicContact OE2-CZ 3.9Å; E214-R265 IonicContact OE2-NH1 3.01Å; E214-R265 PolarHBondContact OE2-NH1 3.47Å; E214-R265 IonicContact OE2-NH2 2.99Å; E214-R265 PolarHBondContact OE2-NH2 3.28Å |
| 215 | V | 57.8 | Low | 71.6 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | F217 S218 E219 | V215-F217 PolarHBondContact O-N 2.9Å; V215-S218 PolarHBondContact O-N 3.42Å; V215-S218 PolarHBondContact O-OG 2.88Å; V215-S218 VanDerWaalsContact O-OG 3.11Å; V215-E219 PolarHBondContact O-N 3.06Å |
| 216 | H | 72.8 | Confident | 72.4 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -23.6 | 175.7 | -68.4 | -58.5 | 0 | 0 | 0 | 113.5 | E204 R205 K212 T213 E214 A220 | E204-H216 IonicContact OE2-CE1 3.74Å; R205-H216 HydrophobicContact CG-CB 3.88Å; K212-H216 VanDerWaalsContact C-CD2 3.47Å; K212-H216 PolarHBondContact O-CD2 3.48Å; T213-H216 WeakPolarHBondContact O-CB 2.9Å; T213-H216 PolarHBondContact O-N 3.18Å; E214-H216 PolarHBondContact O-N 2.88Å; H216-A220 WeakPolarHBondContact O-CB 3.47Å; H216-A220 PolarHBondContact O-N 3.14Å |
| 217 | F | 76.7 | Confident | 73.2 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.9 | -40.6 | 178.6 | -72.8 | -62.3 | 0 | 0 | 0 | 112.8 | T213 E214 V215 A220 F221 L254 H257 | T213-F217 WeakPolarHBondContact O-CD2 3.5Å; T213-F217 WeakPolarHBondContact O-CE2 3.25Å; T213-F217 WeakPolarHBondContact O-CG 3.49Å; T213-F217 PolarHBondContact O-N 3.3Å; T213-F217 VanDerWaalsContact O-N 3.16Å; E214-F217 PolarHBondContact O-N 3.44Å; E214-F217 VanDerWaalsContact O-N 3.14Å; V215-F217 PolarHBondContact O-N 2.9Å; F217-A220 PolarHBondContact O-N 3.06Å; F217-F221 VanDerWaalsContact O-CB 3.27Å; F217-F221 WeakPolarHBondContact O-CB 3.2Å; F217-F221 PolarHBondContact O-N 3.42Å; F217-L254 HydrophobicContact CD1-CD2 3.76Å; F217-L254 HydrophobicContact CE1-CD2 4.4Å; F217-H257 AromaticContact CD1-CD2 3.89Å; F217-H257 AromaticContact CD2-CD2 3.15Å; F217-H257 WeakPolarHBondContact CD2-CD2 3.44Å; F217-H257 AromaticContact CD2-NE2 3.11Å; F217-H257 WeakPolarHBondContact CD2-NE2 3.42Å; F217-H257 AromaticContact CE2-CD2 3.63Å; F217-H257 AromaticContact CE2-CE1 3.79Å; F217-H257 AromaticContact CE2-NE2 3.21Å; F217-H257 WeakPolarHBondContact CE2-NE2 3.37Å; F217-H257 AromaticContact CG-CD2 3.32Å; F217-H257 WeakPolarHBondContact CG-CD2 3.32Å; F217-H257 AromaticContact CG-NE2 3.83Å; F217-H257 AromaticContact CZ-NE2 3.95Å |
| 218 | S | 77.4 | Confident | 74 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.8 | 49 | 0 | 0 | 0 | 0 | 111.9 | V215 F221 I222 D274 | V215-S218 PolarHBondContact O-N 3.42Å; V215-S218 PolarHBondContact O-OG 2.88Å; V215-S218 VanDerWaalsContact O-OG 3.11Å; S218-F221 PolarHBondContact O-N 2.85Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 3.21Å; S218-D274 PolarHBondContact OG-OD2 3.28Å |
| 219 | E | 83.4 | Confident | 75.1 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.3 | -68.4 | 179.7 | 155.4 | 0 | 0 | 111.6 | V215 F221 I222 Y223 | V215-E219 PolarHBondContact O-N 3.06Å; E219-F221 VanDerWaalsContact C-N 3.29Å; E219-F221 PolarHBondContact O-N 3.04Å; E219-I222 WeakPolarHBondContact O-CB 3.48Å; E219-I222 PolarHBondContact O-N 3.39Å; E219-I222 VanDerWaalsContact O-N 3.14Å; E219-Y223 HydrophobicContact CB-CE2 4.08Å; E219-Y223 VanDerWaalsContact O-CD2 3.28Å; E219-Y223 WeakPolarHBondContact O-CD2 3.41Å; E219-Y223 VanDerWaalsContact O-CG 3.27Å; E219-Y223 PolarHBondContact O-N 2.77Å |
| 220 | A | 85.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H216 F217 Y223 S224 L254 | H216-A220 WeakPolarHBondContact O-CB 3.47Å; H216-A220 PolarHBondContact O-N 3.14Å; F217-A220 PolarHBondContact O-N 3.06Å; A220-Y223 PolarHBondContact O-N 2.97Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.36Å; A220-L254 HydrophobicContact CB-CD1 4.1Å; A220-L254 HydrophobicContact CB-CD2 3.98Å |
| 221 | F | 86 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 173.9 | 168.2 | -111.6 | 0 | 0 | 0 | 110.8 | F217 S218 E219 Y223 S224 S225 N251 L254 L255 I275 I280 L283 | F217-F221 VanDerWaalsContact O-CB 3.27Å; F217-F221 WeakPolarHBondContact O-CB 3.2Å; F217-F221 PolarHBondContact O-N 3.42Å; S218-F221 PolarHBondContact O-N 2.85Å; E219-F221 VanDerWaalsContact C-N 3.29Å; E219-F221 PolarHBondContact O-N 3.04Å; F221-Y223 PolarHBondContact O-N 2.6Å; F221-S224 PolarHBondContact O-N 2.94Å; F221-S225 WeakPolarHBondContact CE2-OG 3.34Å; F221-S225 WeakPolarHBondContact CZ-OG 3.46Å; F221-S225 WeakPolarHBondContact O-CB 3.29Å; F221-S225 PolarHBondContact O-N 3.3Å; F221-S225 PolarHBondContact O-OG 3.01Å; F221-N251 WeakPolarHBondContact CE2-OD1 3.27Å; F221-N251 PolarHBondContact O-ND2 2.85Å; F221-L254 HydrophobicContact CB-CB 3.99Å; F221-L254 HydrophobicContact CD2-CB 4.25Å; F221-L255 HydrophobicContact CD2-CB 3.93Å; F221-L255 HydrophobicContact CD2-CD1 4.25Å; F221-L255 HydrophobicContact CE1-CD1 4.1Å; F221-L255 HydrophobicContact CE2-CB 3.64Å; F221-L255 HydrophobicContact CE2-CD1 3.56Å; F221-L255 HydrophobicContact CE2-CD2 4.43Å; F221-L255 HydrophobicContact CE2-CG 4.05Å; F221-L255 HydrophobicContact CZ-CB 4.41Å; F221-L255 HydrophobicContact CZ-CD1 3.44Å; F221-L255 VanDerWaalsContact CZ-CD1 3.44Å; F221-L255 HydrophobicContact CZ-CG 4.37Å; F221-I275 HydrophobicContact CD1-CD1 3.64Å; F221-I275 HydrophobicContact CD1-CG1 4.29Å; F221-I275 HydrophobicContact CE1-CD1 4.32Å; F221-I275 HydrophobicContact CG-CD1 4.4Å; F221-I280 HydrophobicContact CE1-CD1 4.45Å; F221-L283 HydrophobicContact CE1-CD2 4.29Å; F221-L283 HydrophobicContact CZ-CD2 3.57Å |
| 222 | I | 87 | Confident | 79 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 178.7 | -69.5 | 164.7 | 0 | 0 | 0 | 111 | P163 L164 S218 E219 S224 S225 L226 D274 | P163-I222 HydrophobicContact CG-CG2 3.53Å; L164-I222 HydrophobicContact CD1-CB 4.42Å; L164-I222 HydrophobicContact CD1-CG1 3.86Å; L164-I222 HydrophobicContact CD1-CG2 4.31Å; L164-I222 HydrophobicContact CG-CG1 4.44Å; L164-I222 HydrophobicContact CG-CG2 3.99Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 3.21Å; E219-I222 WeakPolarHBondContact O-CB 3.48Å; E219-I222 PolarHBondContact O-N 3.39Å; E219-I222 VanDerWaalsContact O-N 3.14Å; I222-S224 PolarHBondContact O-N 3.31Å; I222-S225 PolarHBondContact O-N 3.03Å; I222-L226 HydrophobicContact CG2-CD1 4.26Å; I222-L226 PolarHBondContact O-N 3.31Å; I222-D274 HydrophobicContact CD1-CB 3.85Å |
| 223 | Y | 89.6 | Confident | 80.3 | Confident | 44 Ų | 44 | 26.5 Ų | 26.5 | 17% | 0.173 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 179.6 | -62.4 | -31.7 | 0 | 0 | 0 | 112.3 | N194 H197 E219 A220 F221 R227 | N194-Y223 PolarHBondContact ND2-O 3.16Å; N194-Y223 WeakPolarHBondContact OD1-CA 3.28Å; N194-Y223 VanDerWaalsContact OD1-CD1 3.26Å; N194-Y223 WeakPolarHBondContact OD1-CD1 3.49Å; H197-Y223 HydrophobicContact CB-CD1 4.03Å; H197-Y223 HydrophobicContact CB-CD2 4.38Å; H197-Y223 HydrophobicContact CB-CE1 3.68Å; H197-Y223 HydrophobicContact CB-CE2 4.07Å; H197-Y223 HydrophobicContact CB-CG 4.37Å; E219-Y223 HydrophobicContact CB-CE2 4.08Å; E219-Y223 VanDerWaalsContact O-CD2 3.28Å; E219-Y223 WeakPolarHBondContact O-CD2 3.41Å; E219-Y223 VanDerWaalsContact O-CG 3.27Å; E219-Y223 PolarHBondContact O-N 2.77Å; A220-Y223 PolarHBondContact O-N 2.97Å; F221-Y223 PolarHBondContact O-N 2.6Å; Y223-R227 WeakPolarHBondContact O-CB 3.23Å; Y223-R227 PolarHBondContact O-N 3.47Å |
| 224 | S | 87.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | A220 F221 I222 L226 R227 V228 N251 | A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.36Å; F221-S224 PolarHBondContact O-N 2.94Å; I222-S224 PolarHBondContact O-N 3.31Å; S224-L226 PolarHBondContact O-N 3.09Å; S224-R227 WeakPolarHBondContact O-CB 3.33Å; S224-R227 PolarHBondContact O-N 2.87Å; S224-R227 VanDerWaalsContact O-N 3.15Å; S224-V228 PolarHBondContact O-N 2.95Å; S224-N251 VanDerWaalsContact C-ND2 3.26Å; S224-N251 WeakPolarHBondContact CB-ND2 3.5Å; S224-N251 VanDerWaalsContact OG-CA 3.27Å; S224-N251 WeakPolarHBondContact OG-CA 3.43Å; S224-N251 WeakPolarHBondContact OG-CB 3.46Å; S224-N251 PolarHBondContact OG-ND2 3.33Å |
| 225 | S | 87.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | -179.2 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | F221 I222 R227 V228 A229 N251 | F221-S225 WeakPolarHBondContact CE2-OG 3.34Å; F221-S225 WeakPolarHBondContact CZ-OG 3.46Å; F221-S225 WeakPolarHBondContact O-CB 3.29Å; F221-S225 PolarHBondContact O-N 3.3Å; F221-S225 PolarHBondContact O-OG 3.01Å; I222-S225 PolarHBondContact O-N 3.03Å; S225-R227 VanDerWaalsContact C-N 3.31Å; S225-R227 PolarHBondContact O-N 3.44Å; S225-V228 PolarHBondContact O-N 3.44Å; S225-A229 PolarHBondContact O-N 3.38Å; S225-N251 WeakPolarHBondContact CA-ND2 3.27Å; S225-N251 PolarHBondContact N-ND2 3.43Å; S225-N251 PolarHBondContact OG-ND2 3.46Å |
| 226 | L | 89.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -29.4 | 176 | -71.1 | 176.3 | 0 | 0 | 0 | 112.4 | P163 L164 A167 L190 L191 N194 I222 S224 A229 R230 | P163-L226 HydrophobicContact CB-CD1 3.93Å; P163-L226 HydrophobicContact CG-CD1 4.49Å; L164-L226 HydrophobicContact CD2-CD2 3.85Å; L164-L226 HydrophobicContact CD2-CG 3.93Å; A167-L226 HydrophobicContact CB-CD2 3.32Å; L190-L226 HydrophobicContact CD2-CD1 3.98Å; L190-L226 HydrophobicContact CD2-CD2 4.25Å; L191-L226 HydrophobicContact CD2-CB 4.29Å; L191-L226 HydrophobicContact CD2-CD2 4.25Å; L191-L226 VanDerWaalsContact CD2-O 3.27Å; L191-L226 WeakPolarHBondContact CD2-O 3.48Å; N194-L226 HydrophobicContact CB-CB 4.25Å; N194-L226 HydrophobicContact CB-CD1 4.4Å; N194-L226 VanDerWaalsContact ND2-CB 3.27Å; N194-L226 WeakPolarHBondContact ND2-CB 3.4Å; N194-L226 WeakPolarHBondContact OD1-CB 3.34Å; N194-L226 VanDerWaalsContact OD1-CD1 3.29Å; N194-L226 WeakPolarHBondContact OD1-CD1 3.38Å; I222-L226 HydrophobicContact CG2-CD1 4.26Å; I222-L226 PolarHBondContact O-N 3.31Å; S224-L226 PolarHBondContact O-N 3.09Å; L226-A229 PolarHBondContact O-N 2.9Å; L226-R230 WeakPolarHBondContact O-CB 3.45Å; L226-R230 PolarHBondContact O-N 3.34Å |
| 227 | R | 87.2 | Confident | 80.8 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 15% | 0.151 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 172.8 | -163.1 | -168 | 166.3 | -160.4 | -3.6 | 111.2 | N194 H198 Y223 S224 S225 R230 Y231 M247 E250 | N194-R227 PolarHBondContact ND2-N 3.46Å; H198-R227 PolarHBondContact CE1-NH1 2.82Å; Y223-R227 WeakPolarHBondContact O-CB 3.23Å; Y223-R227 PolarHBondContact O-N 3.47Å; S224-R227 WeakPolarHBondContact O-CB 3.33Å; S224-R227 PolarHBondContact O-N 2.87Å; S224-R227 VanDerWaalsContact O-N 3.15Å; S225-R227 VanDerWaalsContact C-N 3.31Å; S225-R227 PolarHBondContact O-N 3.44Å; R227-R230 PolarHBondContact O-N 3.23Å; R227-Y231 PolarHBondContact O-N 3.45Å; R227-Y231 VanDerWaalsContact O-N 3.15Å; R227-M247 HydrophobicContact CB-CE 4.14Å; R227-M247 HydrophobicContact CG-CE 3.57Å; R227-M247 VanDerWaalsContact O-CE 3.28Å; R227-M247 WeakPolarHBondContact O-CE 3.28Å; R227-E250 IonicContact NH1-OE2 3.33Å; R227-E250 PolarHBondContact NH1-OE2 3.34Å |
| 228 | V | 84.5 | Confident | 79.8 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 172 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | S224 S225 R230 Y231 L232 L244 M247 V248 N251 | S224-V228 PolarHBondContact O-N 2.95Å; S225-V228 PolarHBondContact O-N 3.44Å; V228-R230 VanDerWaalsContact C-N 3.28Å; V228-R230 PolarHBondContact O-N 3.29Å; V228-Y231 WeakPolarHBondContact O-CB 3.36Å; V228-Y231 PolarHBondContact O-N 2.93Å; V228-Y231 VanDerWaalsContact O-N 3.09Å; V228-L232 HydrophobicContact CG1-CD1 3.91Å; V228-L232 HydrophobicContact CG1-CG 4.43Å; V228-L232 WeakPolarHBondContact O-CG 3.5Å; V228-L232 PolarHBondContact O-N 3.01Å; V228-L232 VanDerWaalsContact O-N 3.09Å; V228-L244 HydrophobicContact CG1-CD1 4.42Å; V228-M247 HydrophobicContact CG2-CB 4.11Å; V228-M247 HydrophobicContact CG2-CE 4.39Å; V228-V248 HydrophobicContact CG1-CG2 4.21Å; V228-V248 HydrophobicContact CG2-CG2 4.43Å; V228-N251 HydrophobicContact CG2-CB 4.32Å |
| 229 | A | 85.8 | Confident | 78.5 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.4 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L191 S225 L226 L232 Y233 I286 L290 | L191-A229 HydrophobicContact CD2-CB 4.31Å; S225-A229 PolarHBondContact O-N 3.38Å; L226-A229 PolarHBondContact O-N 2.9Å; A229-L232 PolarHBondContact O-N 3.33Å; A229-Y233 VanDerWaalsContact O-CB 3.26Å; A229-Y233 WeakPolarHBondContact O-CB 3.21Å; A229-Y233 PolarHBondContact O-N 3.36Å; A229-I286 HydrophobicContact CB-CG2 4.04Å; A229-L290 HydrophobicContact CB-CD1 3.88Å |
| 230 | R | 86.9 | Confident | 77.5 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 175.4 | -177.3 | 176.2 | 172.4 | -176 | -17.8 | 112.5 | L191 T192 E195 L226 R227 V228 L232 Y233 S234 | L191-R230 HydrophobicContact CB-CB 3.97Å; L191-R230 HydrophobicContact CB-CG 4Å; L191-R230 HydrophobicContact CD1-CB 4.13Å; L191-R230 HydrophobicContact CD1-CG 4.41Å; L191-R230 HydrophobicContact CD2-CB 4.05Å; L191-R230 HydrophobicContact CG-CB 4.28Å; L191-R230 WeakPolarHBondContact O-CD 3.42Å; L191-R230 PolarHBondContact O-NH1 3.03Å; L191-R230 VanDerWaalsContact O-NH1 3.13Å; T192-R230 VanDerWaalsContact CA-NH1 3.33Å; E195-R230 IonicContact OE2-CZ 2.8Å; E195-R230 IonicContact OE2-NH1 3.64Å; E195-R230 PolarHBondContact OE2-NH1 3.1Å; E195-R230 IonicContact OE2-NH2 2.74Å; E195-R230 PolarHBondContact OE2-NH2 3.28Å; L226-R230 WeakPolarHBondContact O-CB 3.45Å; L226-R230 PolarHBondContact O-N 3.34Å; R227-R230 PolarHBondContact O-N 3.23Å; V228-R230 VanDerWaalsContact C-N 3.28Å; V228-R230 PolarHBondContact O-N 3.29Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 2.99Å; R230-Y233 PolarHBondContact O-N 3.49Å; R230-S234 WeakPolarHBondContact O-CB 3.47Å; R230-S234 PolarHBondContact O-N 3.18Å; R230-S234 PolarHBondContact O-OG 3.03Å |
| 231 | Y | 81.8 | Confident | 76.5 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | -179.7 | -170.1 | -85.3 | 0 | 0 | 0 | 111.9 | R227 V228 T236 Q240 D241 L244 M247 K301 | R227-Y231 PolarHBondContact O-N 3.45Å; R227-Y231 VanDerWaalsContact O-N 3.15Å; V228-Y231 WeakPolarHBondContact O-CB 3.36Å; V228-Y231 PolarHBondContact O-N 2.93Å; V228-Y231 VanDerWaalsContact O-N 3.09Å; Y231-T236 HydrophobicContact CE2-CG2 4.41Å; Y231-T236 PolarHBondContact OH-OG1 3.19Å; Y231-Q240 HydrophobicContact CE2-CB 3.95Å; Y231-Q240 WeakPolarHBondContact OH-CB 3.27Å; Y231-Q240 PolarHBondContact OH-O 2.72Å; Y231-D241 VanDerWaalsContact CE1-OD1 3.27Å; Y231-D241 WeakPolarHBondContact CE1-OD1 3.27Å; Y231-D241 VanDerWaalsContact CZ-OD1 3.3Å; Y231-D241 WeakPolarHBondContact OH-CA 3.27Å; Y231-D241 PolarHBondContact OH-N 3.3Å; Y231-D241 PolarHBondContact OH-OD1 2.92Å; Y231-L244 HydrophobicContact CD1-CB 3.94Å; Y231-L244 HydrophobicContact CD1-CD1 3.69Å; Y231-L244 HydrophobicContact CD1-CD2 4Å; Y231-L244 HydrophobicContact CD1-CG 4.08Å; Y231-L244 HydrophobicContact CE1-CB 3.8Å; Y231-L244 HydrophobicContact CE1-CD1 4.38Å; Y231-L244 HydrophobicContact CE1-CD2 4.02Å; Y231-L244 HydrophobicContact CE1-CG 4.28Å; Y231-L244 HydrophobicContact CG-CD1 4.24Å; Y231-M247 HydrophobicContact CD2-SD 4.41Å; Y231-K301 PolarHBondContact O-NZ 3.04Å |
| 232 | L | 80.8 | Confident | 75.6 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.5 | -37.4 | 179 | -63.2 | 172.1 | 0 | 0 | 0 | 112.5 | V228 A229 R230 L244 L290 L294 L515 | V228-L232 HydrophobicContact CG1-CD1 3.91Å; V228-L232 HydrophobicContact CG1-CG 4.43Å; V228-L232 WeakPolarHBondContact O-CG 3.5Å; V228-L232 PolarHBondContact O-N 3.01Å; V228-L232 VanDerWaalsContact O-N 3.09Å; A229-L232 PolarHBondContact O-N 3.33Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 2.99Å; L232-L244 HydrophobicContact CD2-CD1 4.33Å; L232-L244 HydrophobicContact CD2-CD2 3.99Å; L232-L290 HydrophobicContact CB-CD1 4.23Å; L232-L290 HydrophobicContact CB-CD2 4.45Å; L232-L290 HydrophobicContact CD1-CD1 4.16Å; L232-L294 HydrophobicContact CB-CD1 4.43Å; L232-L294 HydrophobicContact CD2-CD1 4.1Å; L232-L515 HydrophobicContact CD1-CD1 3.65Å; L232-L515 HydrophobicContact CD1-CG 4.46Å |
| 233 | Y | 82.3 | Confident | 75.1 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.7 | -40.6 | -179.6 | -175.7 | -106.8 | 0 | 0 | 0 | 112.9 | L171 F187 L191 A229 R230 L290 L293 | L171-Y233 HydrophobicContact CD1-CD2 4.11Å; L171-Y233 HydrophobicContact CD1-CE2 3.96Å; F187-Y233 AromaticContact CD1-CD1 3.85Å; F187-Y233 HydrophobicContact CD1-CD1 3.85Å; F187-Y233 HydrophobicContact CD1-CD2 4.08Å; F187-Y233 AromaticContact CD1-CE1 3.66Å; F187-Y233 HydrophobicContact CD1-CE1 3.66Å; F187-Y233 AromaticContact CD1-CE2 3.89Å; F187-Y233 HydrophobicContact CD1-CE2 3.89Å; F187-Y233 HydrophobicContact CD1-CG 4.06Å; F187-Y233 AromaticContact CD1-CZ 3.67Å; F187-Y233 AromaticContact CE1-CD1 3.78Å; F187-Y233 HydrophobicContact CE1-CD1 3.78Å; F187-Y233 AromaticContact CE1-CD2 3.57Å; F187-Y233 HydrophobicContact CE1-CD2 3.57Å; F187-Y233 HydrophobicContact CE1-CE1 4.03Å; F187-Y233 AromaticContact CE1-CE2 3.82Å; F187-Y233 HydrophobicContact CE1-CE2 3.82Å; F187-Y233 AromaticContact CE1-CG 3.53Å; F187-Y233 HydrophobicContact CE1-CG 3.53Å; L191-Y233 HydrophobicContact CD1-CD1 4.33Å; A229-Y233 VanDerWaalsContact O-CB 3.26Å; A229-Y233 WeakPolarHBondContact O-CB 3.21Å; A229-Y233 PolarHBondContact O-N 3.36Å; R230-Y233 PolarHBondContact O-N 3.49Å; Y233-L290 HydrophobicContact CD2-CD2 4.2Å; Y233-L293 HydrophobicContact CD2-CD2 3.8Å; Y233-L293 HydrophobicContact CE2-CD2 4.25Å |
| 234 | S | 78 | Confident | 74.3 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.8 | 144.2 | -177.9 | 54.7 | 0 | 0 | 0 | 0 | 112 | R230 T236 | R230-S234 WeakPolarHBondContact O-CB 3.47Å; R230-S234 PolarHBondContact O-N 3.18Å; R230-S234 PolarHBondContact O-OG 3.03Å; S234-T236 PolarHBondContact O-N 3.49Å; S234-T236 VanDerWaalsContact OG-CG2 3.31Å; S234-T236 WeakPolarHBondContact OG-CG2 3.41Å |
| 235 | N | 64.8 | Low | 73.7 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 75% | 0.749 | 29% | 0.288 | S | S | * | . | trans | -76.8 | 51.7 | 169.9 | -70.2 | -7.8 | 0 | 0 | 0 | 110 | A237 K297 | N235-A237 PolarHBondContact O-N 3.36Å; N235-K297 PolarHBondContact OD1-NZ 2.83Å | ||
| 236 | T | 60 | Low | 73.3 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | trans | -58.9 | 138 | 174.5 | 45 | 0 | 0 | 0 | 0 | 109.5 | Y231 S234 Q240 K301 | Y231-T236 HydrophobicContact CE2-CG2 4.41Å; Y231-T236 PolarHBondContact OH-OG1 3.19Å; S234-T236 PolarHBondContact O-N 3.49Å; S234-T236 VanDerWaalsContact OG-CG2 3.31Å; S234-T236 WeakPolarHBondContact OG-CG2 3.41Å; T236-Q240 VanDerWaalsContact CG2-OE1 3.28Å; T236-K301 PolarHBondContact OG1-NZ 2.78Å | ||
| 237 | A | 54.6 | Low | 72.7 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 50% | 0.504 | 32% | 0.315 | S | S | . | . | trans | -57.8 | 142.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | N235 S239 Q240 | N235-A237 PolarHBondContact O-N 3.36Å; A237-S239 PolarHBondContact O-N 3.13Å; A237-Q240 PolarHBondContact O-N 3.17Å | ||
| 238 | E | 55.7 | Low | 72.2 | Confident | 162 Ų | 162 | 56.8 Ų | 56.8 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -48.2 | -28.1 | 179.5 | -62.4 | -178.6 | 161.7 | 0 | 0 | 112.7 | Q240 D241 | E238-Q240 PolarHBondContact O-N 3.39Å; E238-Q240 VanDerWaalsContact O-N 3.09Å; E238-D241 WeakPolarHBondContact O-CB 3.33Å; E238-D241 PolarHBondContact O-N 2.98Å |
| 239 | S | 49.4 | Very low | 71.7 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -60.9 | -15.5 | 176.5 | 62 | 0 | 0 | 0 | 0 | 115.3 | A237 F242 | A237-S239 PolarHBondContact O-N 3.13Å; S239-F242 WeakPolarHBondContact O-CD1 3.48Å; S239-F242 VanDerWaalsContact O-CE1 3.26Å; S239-F242 WeakPolarHBondContact O-CE1 3.42Å |
| 240 | Q | 62.3 | Low | 71.5 | Confident | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -95.4 | -6.6 | 176.1 | -65.4 | -175.2 | -7 | 0 | 0 | 113.2 | Y231 T236 A237 E238 F242 Q243 | Y231-Q240 HydrophobicContact CE2-CB 3.95Å; Y231-Q240 WeakPolarHBondContact OH-CB 3.27Å; Y231-Q240 PolarHBondContact OH-O 2.72Å; T236-Q240 VanDerWaalsContact CG2-OE1 3.28Å; A237-Q240 PolarHBondContact O-N 3.17Å; E238-Q240 PolarHBondContact O-N 3.39Å; E238-Q240 VanDerWaalsContact O-N 3.09Å; Q240-F242 PolarHBondContact O-N 2.66Å; Q240-Q243 PolarHBondContact O-N 3Å |
| 241 | D | 65.1 | Low | 71.3 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.4 | -20.2 | -172.2 | -74.3 | -25.6 | 0 | 0 | 0 | 112.7 | Y231 E238 Q243 L244 P245 K301 | Y231-D241 VanDerWaalsContact CE1-OD1 3.27Å; Y231-D241 WeakPolarHBondContact CE1-OD1 3.27Å; Y231-D241 VanDerWaalsContact CZ-OD1 3.3Å; Y231-D241 WeakPolarHBondContact OH-CA 3.27Å; Y231-D241 PolarHBondContact OH-N 3.3Å; Y231-D241 PolarHBondContact OH-OD1 2.92Å; E238-D241 WeakPolarHBondContact O-CB 3.33Å; E238-D241 PolarHBondContact O-N 2.98Å; D241-Q243 PolarHBondContact O-N 3.01Å; D241-Q243 VanDerWaalsContact O-N 3.15Å; D241-L244 PolarHBondContact O-N 2.76Å; D241-P245 WeakPolarHBondContact O-CD 3.46Å; D241-K301 WeakPolarHBondContact OD1-CE 3.34Å; D241-K301 IonicContact OD1-NZ 3.51Å |
| 242 | F | 67.5 | Low | 70.9 | Confident | 152 Ų | 152 | 59.9 Ų | 59.9 | 67% | 0.667 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -61.5 | -21 | 173.9 | 77.7 | -90.3 | 0 | 0 | 0 | 113.9 | S239 Q240 | S239-F242 WeakPolarHBondContact O-CD1 3.48Å; S239-F242 VanDerWaalsContact O-CE1 3.26Å; S239-F242 WeakPolarHBondContact O-CE1 3.42Å; Q240-F242 PolarHBondContact O-N 2.66Å |
| 243 | Q | 75.6 | Confident | 70.7 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -83.7 | -23.7 | 179.1 | -62.3 | -171.9 | 2.4 | 0 | 0 | 113.1 | Q240 D241 A246 M247 | Q240-Q243 PolarHBondContact O-N 3Å; D241-Q243 PolarHBondContact O-N 3.01Å; D241-Q243 VanDerWaalsContact O-N 3.15Å; Q243-A246 PolarHBondContact O-N 3.18Å; Q243-M247 HydrophobicContact CB-SD 4.47Å; Q243-M247 WeakPolarHBondContact O-CG 3.5Å; Q243-M247 PolarHBondContact O-N 2.97Å; Q243-M247 VanDerWaalsContact O-N 3.1Å |
| 244 | L | 73.9 | Confident | 70.7 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | -173.6 | 177.5 | 62.2 | 0 | 0 | 0 | 112.8 | V228 Y231 L232 D241 A246 M247 V248 | V228-L244 HydrophobicContact CG1-CD1 4.42Å; Y231-L244 HydrophobicContact CD1-CB 3.94Å; Y231-L244 HydrophobicContact CD1-CD1 3.69Å; Y231-L244 HydrophobicContact CD1-CD2 4Å; Y231-L244 HydrophobicContact CD1-CG 4.08Å; Y231-L244 HydrophobicContact CE1-CB 3.8Å; Y231-L244 HydrophobicContact CE1-CD1 4.38Å; Y231-L244 HydrophobicContact CE1-CD2 4.02Å; Y231-L244 HydrophobicContact CE1-CG 4.28Å; Y231-L244 HydrophobicContact CG-CD1 4.24Å; L232-L244 HydrophobicContact CD2-CD1 4.33Å; L232-L244 HydrophobicContact CD2-CD2 3.99Å; D241-L244 PolarHBondContact O-N 2.76Å; L244-A246 VanDerWaalsContact C-N 3.28Å; L244-A246 PolarHBondContact O-N 2.8Å; L244-M247 PolarHBondContact O-N 2.65Å; L244-M247 VanDerWaalsContact O-N 3.13Å; L244-V248 HydrophobicContact CD1-CG2 3.78Å; L244-V248 HydrophobicContact CG-CG2 4.21Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.26Å |
| 245 | P | 74.5 | Confident | 70.7 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 177.9 | -26.6 | 35.6 | 0 | 0 | 0 | 113.1 | D241 V248 E249 | D241-P245 WeakPolarHBondContact O-CD 3.46Å; P245-V248 PolarHBondContact O-N 3.42Å; P245-E249 VanDerWaalsContact O-CB 3.31Å; P245-E249 WeakPolarHBondContact O-CB 3.46Å; P245-E249 PolarHBondContact O-N 3.11Å |
| 246 | A | 78.2 | Confident | 71.2 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.2 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q243 L244 E250 | Q243-A246 PolarHBondContact O-N 3.18Å; L244-A246 VanDerWaalsContact C-N 3.28Å; L244-A246 PolarHBondContact O-N 2.8Å; A246-E250 WeakPolarHBondContact O-CB 3.49Å; A246-E250 PolarHBondContact O-N 3.16Å |
| 247 | M | 78 | Confident | 71.9 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.044 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 176.1 | -69.5 | 174.3 | 48.9 | 0 | 0 | 112.1 | R227 V228 Y231 Q243 L244 N251 | R227-M247 HydrophobicContact CB-CE 4.14Å; R227-M247 HydrophobicContact CG-CE 3.57Å; R227-M247 VanDerWaalsContact O-CE 3.28Å; R227-M247 WeakPolarHBondContact O-CE 3.28Å; V228-M247 HydrophobicContact CG2-CB 4.11Å; V228-M247 HydrophobicContact CG2-CE 4.39Å; Y231-M247 HydrophobicContact CD2-SD 4.41Å; Q243-M247 HydrophobicContact CB-SD 4.47Å; Q243-M247 WeakPolarHBondContact O-CG 3.5Å; Q243-M247 PolarHBondContact O-N 2.97Å; Q243-M247 VanDerWaalsContact O-N 3.1Å; L244-M247 PolarHBondContact O-N 2.65Å; L244-M247 VanDerWaalsContact O-N 3.13Å; M247-N251 WeakPolarHBondContact O-CB 3.32Å; M247-N251 PolarHBondContact O-N 3.42Å |
| 248 | V | 75.7 | Confident | 72.8 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 176 | 169 | 0 | 0 | 0 | 0 | 109.8 | V228 L244 P245 E250 N251 I252 D514 Q516 | V228-V248 HydrophobicContact CG1-CG2 4.21Å; V228-V248 HydrophobicContact CG2-CG2 4.43Å; L244-V248 HydrophobicContact CD1-CG2 3.78Å; L244-V248 HydrophobicContact CG-CG2 4.21Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.26Å; P245-V248 PolarHBondContact O-N 3.42Å; V248-E250 PolarHBondContact O-N 3.32Å; V248-N251 WeakPolarHBondContact O-CB 3.37Å; V248-N251 PolarHBondContact O-N 3.27Å; V248-N251 VanDerWaalsContact O-N 3.1Å; V248-I252 HydrophobicContact CG1-CD1 3.53Å; V248-I252 HydrophobicContact CG1-CG1 4.24Å; V248-I252 WeakPolarHBondContact O-CB 3.49Å; V248-I252 WeakPolarHBondContact O-CG1 3.22Å; V248-I252 PolarHBondContact O-N 2.79Å; V248-D514 WeakPolarHBondContact CG1-O 3.3Å; V248-Q516 HydrophobicContact CG1-CG 4.48Å |
| 249 | E | 75 | Confident | 73.6 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 177.6 | -179 | 57.2 | -152.2 | 0 | 0 | 112.4 | P245 N251 I252 Q253 | P245-E249 VanDerWaalsContact O-CB 3.31Å; P245-E249 WeakPolarHBondContact O-CB 3.46Å; P245-E249 PolarHBondContact O-N 3.11Å; E249-N251 VanDerWaalsContact C-N 3.3Å; E249-N251 PolarHBondContact O-N 3.05Å; E249-I252 PolarHBondContact O-N 3.11Å; E249-Q253 VanDerWaalsContact O-CG 3.31Å; E249-Q253 WeakPolarHBondContact O-CG 3.41Å; E249-Q253 PolarHBondContact O-N 2.91Å; E249-Q253 PolarHBondContact OE1-NE2 3.49Å |
| 250 | E | 81.7 | Confident | 74.6 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -47.2 | 173.4 | -178.4 | -168 | 170.6 | 0 | 0 | 110.8 | H198 R205 R227 A246 V248 I252 Q253 L254 | H198-E250 IonicContact CE1-OE1 3.62Å; H198-E250 IonicContact CE1-OE2 2.68Å; H198-E250 IonicContact NE2-OE1 2.71Å; H198-E250 PolarHBondContact NE2-OE1 2.62Å; H198-E250 IonicContact NE2-OE2 3.07Å; R205-E250 IonicContact NH2-OE1 3.73Å; R227-E250 IonicContact NH1-OE2 3.33Å; R227-E250 PolarHBondContact NH1-OE2 3.34Å; A246-E250 WeakPolarHBondContact O-CB 3.49Å; A246-E250 PolarHBondContact O-N 3.16Å; V248-E250 PolarHBondContact O-N 3.32Å; E250-I252 PolarHBondContact O-N 3.37Å; E250-Q253 PolarHBondContact O-N 3.12Å; E250-L254 HydrophobicContact CG-CD1 3.99Å; E250-L254 VanDerWaalsContact O-CG 3.3Å; E250-L254 WeakPolarHBondContact O-CG 3.48Å; E250-L254 PolarHBondContact O-N 3.47Å |
| 251 | N | 81.7 | Confident | 75 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | -178.4 | -170.7 | -97 | 0 | 0 | 0 | 112.6 | F221 S224 S225 V228 M247 V248 E249 L254 L255 Q516 | F221-N251 WeakPolarHBondContact CE2-OD1 3.27Å; F221-N251 PolarHBondContact O-ND2 2.85Å; S224-N251 VanDerWaalsContact C-ND2 3.26Å; S224-N251 WeakPolarHBondContact CB-ND2 3.5Å; S224-N251 VanDerWaalsContact OG-CA 3.27Å; S224-N251 WeakPolarHBondContact OG-CA 3.43Å; S224-N251 WeakPolarHBondContact OG-CB 3.46Å; S224-N251 PolarHBondContact OG-ND2 3.33Å; S225-N251 WeakPolarHBondContact CA-ND2 3.27Å; S225-N251 PolarHBondContact N-ND2 3.43Å; S225-N251 PolarHBondContact OG-ND2 3.46Å; V228-N251 HydrophobicContact CG2-CB 4.32Å; M247-N251 WeakPolarHBondContact O-CB 3.32Å; M247-N251 PolarHBondContact O-N 3.42Å; V248-N251 WeakPolarHBondContact O-CB 3.37Å; V248-N251 PolarHBondContact O-N 3.27Å; V248-N251 VanDerWaalsContact O-N 3.1Å; E249-N251 VanDerWaalsContact C-N 3.3Å; E249-N251 PolarHBondContact O-N 3.05Å; N251-L254 PolarHBondContact O-N 3.31Å; N251-L255 VanDerWaalsContact O-CB 3.31Å; N251-L255 WeakPolarHBondContact O-CB 3.27Å; N251-L255 PolarHBondContact O-N 3.24Å; N251-Q516 PolarHBondContact OD1-NE2 3.43Å; N251-Q516 PolarHBondContact OD1-OE1 2.83Å |
| 252 | I | 73.1 | Confident | 75 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.8 | -70.9 | 172.4 | 0 | 0 | 0 | 110.3 | V248 E249 E250 L254 L255 N256 Q516 Q519 | V248-I252 HydrophobicContact CG1-CD1 3.53Å; V248-I252 HydrophobicContact CG1-CG1 4.24Å; V248-I252 WeakPolarHBondContact O-CB 3.49Å; V248-I252 WeakPolarHBondContact O-CG1 3.22Å; V248-I252 PolarHBondContact O-N 2.79Å; E249-I252 PolarHBondContact O-N 3.11Å; E250-I252 PolarHBondContact O-N 3.37Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 2.81Å; I252-L255 WeakPolarHBondContact O-CB 3.36Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-N256 WeakPolarHBondContact O-CB 3.1Å; I252-N256 PolarHBondContact O-N 2.93Å; I252-N256 PolarHBondContact O-ND2 2.68Å; I252-N256 PolarHBondContact O-OD1 2.79Å; I252-Q516 HydrophobicContact CD1-CG 4.42Å; I252-Q516 HydrophobicContact CG1-CG 3.94Å; I252-Q519 VanDerWaalsContact CD1-OE1 3.32Å |
| 253 | Q | 78.5 | Confident | 75 | Confident | 112 Ų | 112 | 37.1 Ų | 37.1 | 52% | 0.523 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.4 | -70.7 | 174.7 | 10.1 | 0 | 0 | 111.9 | E249 E250 H257 | E249-Q253 VanDerWaalsContact O-CG 3.31Å; E249-Q253 WeakPolarHBondContact O-CG 3.41Å; E249-Q253 PolarHBondContact O-N 2.91Å; E249-Q253 PolarHBondContact OE1-NE2 3.49Å; E250-Q253 PolarHBondContact O-N 3.12Å; Q253-H257 WeakPolarHBondContact O-CB 3.01Å; Q253-H257 PolarHBondContact O-N 3.32Å |
| 254 | L | 80.8 | Confident | 74.5 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.1 | -69.9 | 168.4 | 0 | 0 | 0 | 111.8 | F217 A220 F221 E250 N251 I252 H257 C258 | F217-L254 HydrophobicContact CD1-CD2 3.76Å; F217-L254 HydrophobicContact CE1-CD2 4.4Å; A220-L254 HydrophobicContact CB-CD1 4.1Å; A220-L254 HydrophobicContact CB-CD2 3.98Å; F221-L254 HydrophobicContact CB-CB 3.99Å; F221-L254 HydrophobicContact CD2-CB 4.25Å; E250-L254 HydrophobicContact CG-CD1 3.99Å; E250-L254 VanDerWaalsContact O-CG 3.3Å; E250-L254 WeakPolarHBondContact O-CG 3.48Å; E250-L254 PolarHBondContact O-N 3.47Å; N251-L254 PolarHBondContact O-N 3.31Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 2.81Å; L254-H257 PolarHBondContact O-N 2.8Å; L254-C258 PolarHBondContact O-N 3.38Å; L254-C258 PolarHBondContact O-SG 3.3Å |
| 255 | L | 79.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 175.7 | -177.7 | 55.6 | 0 | 0 | 0 | 110.9 | F221 N251 I252 H257 C258 F259 V520 | F221-L255 HydrophobicContact CD2-CB 3.93Å; F221-L255 HydrophobicContact CD2-CD1 4.25Å; F221-L255 HydrophobicContact CE1-CD1 4.1Å; F221-L255 HydrophobicContact CE2-CB 3.64Å; F221-L255 HydrophobicContact CE2-CD1 3.56Å; F221-L255 HydrophobicContact CE2-CD2 4.43Å; F221-L255 HydrophobicContact CE2-CG 4.05Å; F221-L255 HydrophobicContact CZ-CB 4.41Å; F221-L255 HydrophobicContact CZ-CD1 3.44Å; F221-L255 VanDerWaalsContact CZ-CD1 3.44Å; F221-L255 HydrophobicContact CZ-CG 4.37Å; N251-L255 VanDerWaalsContact O-CB 3.31Å; N251-L255 WeakPolarHBondContact O-CB 3.27Å; N251-L255 PolarHBondContact O-N 3.24Å; I252-L255 WeakPolarHBondContact O-CB 3.36Å; I252-L255 PolarHBondContact O-N 3.03Å; L255-H257 PolarHBondContact O-N 2.85Å; L255-C258 WeakPolarHBondContact O-CB 3.21Å; L255-C258 PolarHBondContact O-N 2.8Å; L255-C258 VanDerWaalsContact O-N 3.12Å; L255-F259 HydrophobicContact CD1-CD2 3.46Å; L255-F259 VanDerWaalsContact CD1-CD2 3.46Å; L255-F259 HydrophobicContact CD1-CE2 3.16Å; L255-F259 HydrophobicContact CD1-CZ 4.25Å; L255-F259 HydrophobicContact CD2-CE2 4.2Å; L255-F259 HydrophobicContact CG-CD2 3.67Å; L255-F259 HydrophobicContact CG-CE2 3.62Å; L255-F259 VanDerWaalsContact O-CD2 3.28Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 2.91Å; L255-V520 HydrophobicContact CD2-CG2 3.75Å |
| 256 | N | 73.6 | Confident | 72.7 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.7 | -43.9 | 176.7 | -65.3 | -6.4 | 0 | 0 | 0 | 110.1 | I252 F259 Q260 H523 | I252-N256 WeakPolarHBondContact O-CB 3.1Å; I252-N256 PolarHBondContact O-N 2.93Å; I252-N256 PolarHBondContact O-ND2 2.68Å; I252-N256 PolarHBondContact O-OD1 2.79Å; N256-F259 PolarHBondContact O-N 2.91Å; N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 VanDerWaalsContact O-CG 3.24Å; N256-Q260 WeakPolarHBondContact O-CG 3.12Å; N256-Q260 PolarHBondContact O-N 2.69Å; N256-H523 PolarHBondContact OD1-CE1 2.96Å; N256-H523 PolarHBondContact OD1-NE2 3.15Å |
| 257 | H | 74.8 | Confident | 70.7 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.3 | -163.5 | 82.6 | 0 | 0 | 0 | 112.5 | F217 Q253 L254 L255 F259 Q260 L261 | F217-H257 AromaticContact CD1-CD2 3.89Å; F217-H257 AromaticContact CD2-CD2 3.15Å; F217-H257 WeakPolarHBondContact CD2-CD2 3.44Å; F217-H257 AromaticContact CD2-NE2 3.11Å; F217-H257 WeakPolarHBondContact CD2-NE2 3.42Å; F217-H257 AromaticContact CE2-CD2 3.63Å; F217-H257 AromaticContact CE2-CE1 3.79Å; F217-H257 AromaticContact CE2-NE2 3.21Å; F217-H257 WeakPolarHBondContact CE2-NE2 3.37Å; F217-H257 AromaticContact CG-CD2 3.32Å; F217-H257 WeakPolarHBondContact CG-CD2 3.32Å; F217-H257 AromaticContact CG-NE2 3.83Å; F217-H257 AromaticContact CZ-NE2 3.95Å; Q253-H257 WeakPolarHBondContact O-CB 3.01Å; Q253-H257 PolarHBondContact O-N 3.32Å; L254-H257 PolarHBondContact O-N 2.8Å; L255-H257 PolarHBondContact O-N 2.85Å; H257-F259 VanDerWaalsContact C-N 3.32Å; H257-F259 PolarHBondContact O-N 3.16Å; H257-Q260 PolarHBondContact O-N 3.42Å; H257-L261 WeakPolarHBondContact O-CG 3.43Å; H257-L261 PolarHBondContact O-N 2.86Å |
| 258 | C | 74.4 | Confident | 69 | Low | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 176.2 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | L254 L255 L261 L262 I275 | L254-C258 PolarHBondContact O-N 3.38Å; L254-C258 PolarHBondContact O-SG 3.3Å; L255-C258 WeakPolarHBondContact O-CB 3.21Å; L255-C258 PolarHBondContact O-N 2.8Å; L255-C258 VanDerWaalsContact O-N 3.12Å; C258-L261 PolarHBondContact O-N 2.73Å; C258-L262 WeakPolarHBondContact O-CG 3.23Å; C258-L262 PolarHBondContact O-N 3.37Å; C258-I275 HydrophobicContact CB-CD1 3.5Å; C258-I275 WeakPolarHBondContact SG-CD1 3.49Å |
| 259 | F | 72.3 | Confident | 67.3 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.3 | -83.7 | -70.5 | 0 | 0 | 0 | 112 | L255 N256 H257 L261 L262 L263 W346 H523 V524 I527 | L255-F259 HydrophobicContact CD1-CD2 3.46Å; L255-F259 VanDerWaalsContact CD1-CD2 3.46Å; L255-F259 HydrophobicContact CD1-CE2 3.16Å; L255-F259 HydrophobicContact CD1-CZ 4.25Å; L255-F259 HydrophobicContact CD2-CE2 4.2Å; L255-F259 HydrophobicContact CG-CD2 3.67Å; L255-F259 HydrophobicContact CG-CE2 3.62Å; L255-F259 VanDerWaalsContact O-CD2 3.28Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 2.91Å; N256-F259 PolarHBondContact O-N 2.91Å; H257-F259 VanDerWaalsContact C-N 3.32Å; H257-F259 PolarHBondContact O-N 3.16Å; F259-L261 VanDerWaalsContact C-N 3.3Å; F259-L261 PolarHBondContact O-N 3.43Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 CarbonylContact O-C 3.41Å; F259-L262 WeakPolarHBondContact O-CA 3.46Å; F259-L262 WeakPolarHBondContact O-CB 3.4Å; F259-L262 PolarHBondContact O-N 3.4Å; F259-L263 VanDerWaalsContact O-CG 3.31Å; F259-L263 WeakPolarHBondContact O-CG 3.43Å; F259-L263 PolarHBondContact O-N 2.83Å; F259-W346 AromaticContact CE1-CH2 3.97Å; F259-W346 HydrophobicContact CE1-CH2 3.97Å; F259-W346 HydrophobicContact CE1-CZ3 4.03Å; F259-W346 HydrophobicContact CZ-CH2 4.48Å; F259-W346 HydrophobicContact CZ-CZ3 4.36Å; F259-H523 HydrophobicContact CB-CB 4.33Å; F259-H523 VanDerWaalsContact CB-CD2 3.47Å; F259-H523 WeakPolarHBondContact CB-CD2 3.47Å; F259-H523 HydrophobicContact CD1-CB 3.65Å; F259-H523 HydrophobicContact CD2-CB 3.39Å; F259-H523 AromaticContact CD2-CD2 3.61Å; F259-H523 AromaticContact CD2-CG 3.4Å; F259-H523 HydrophobicContact CE1-CB 3.7Å; F259-H523 HydrophobicContact CE2-CB 3.37Å; F259-H523 AromaticContact CE2-CG 3.79Å; F259-H523 HydrophobicContact CG-CB 3.55Å; F259-H523 AromaticContact CG-CD2 3.61Å; F259-H523 AromaticContact CG-CG 3.71Å; F259-H523 HydrophobicContact CZ-CB 3.58Å; F259-V524 HydrophobicContact CZ-CG2 4.34Å; F259-I527 HydrophobicContact CD1-CD1 3.35Å; F259-I527 HydrophobicContact CD1-CG1 3.82Å; F259-I527 HydrophobicContact CE1-CD1 3.42Å; F259-I527 VanDerWaalsContact CE1-CD1 3.42Å; F259-I527 HydrophobicContact CE1-CG1 4.16Å |
| 260 | Q | 71.5 | Confident | 65.3 | Low | 69 Ų | 69 | 66.6 Ų | 66.6 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 175.5 | -71.8 | -62.6 | -26.5 | 0 | 0 | 112.2 | N256 H257 L262 L263 N264 | N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 VanDerWaalsContact O-CG 3.24Å; N256-Q260 WeakPolarHBondContact O-CG 3.12Å; N256-Q260 PolarHBondContact O-N 2.69Å; H257-Q260 PolarHBondContact O-N 3.42Å; Q260-L262 VanDerWaalsContact C-N 3.34Å; Q260-L262 PolarHBondContact O-N 3.46Å; Q260-L263 PolarHBondContact O-N 3.25Å; Q260-N264 VanDerWaalsContact O-CB 3.31Å; Q260-N264 WeakPolarHBondContact O-CB 3.49Å; Q260-N264 PolarHBondContact O-N 3.27Å; Q260-N264 PolarHBondContact O-ND2 2.97Å; Q260-N264 VanDerWaalsContact O-ND2 3.17Å |
| 261 | L | 69 | Low | 63.3 | Low | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 173.1 | -70.9 | 175 | 0 | 0 | 0 | 112.1 | E214 H257 C258 F259 N264 R265 | E214-L261 HydrophobicContact CB-CD1 4.32Å; E214-L261 HydrophobicContact CG-CD1 4.33Å; E214-L261 HydrophobicContact CG-CD2 4.12Å; H257-L261 WeakPolarHBondContact O-CG 3.43Å; H257-L261 PolarHBondContact O-N 2.86Å; C258-L261 PolarHBondContact O-N 2.73Å; F259-L261 VanDerWaalsContact C-N 3.3Å; F259-L261 PolarHBondContact O-N 3.43Å; L261-N264 PolarHBondContact O-N 3Å; L261-R265 WeakPolarHBondContact O-CB 3.26Å; L261-R265 PolarHBondContact O-N 3.47Å |
| 262 | L | 66.9 | Low | 61.5 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 173.4 | -69.3 | 168.3 | 0 | 0 | 0 | 112 | C258 F259 Q260 Y272 I275 W346 I527 | C258-L262 WeakPolarHBondContact O-CG 3.23Å; C258-L262 PolarHBondContact O-N 3.37Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 CarbonylContact O-C 3.41Å; F259-L262 WeakPolarHBondContact O-CA 3.46Å; F259-L262 WeakPolarHBondContact O-CB 3.4Å; F259-L262 PolarHBondContact O-N 3.4Å; Q260-L262 VanDerWaalsContact C-N 3.34Å; Q260-L262 PolarHBondContact O-N 3.46Å; L262-Y272 HydrophobicContact CD2-CD2 4.31Å; L262-I275 HydrophobicContact CD1-CG2 4.31Å; L262-W346 HydrophobicContact CD1-CH2 4.12Å; L262-W346 HydrophobicContact CD1-CZ2 3.82Å; L262-I527 HydrophobicContact CB-CD1 4.26Å; L262-I527 HydrophobicContact CD1-CD1 4.05Å |
| 263 | L | 66 | Low | 60.5 | Low | 17 Ų | 17 | 81 Ų | 81 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71 | -34.6 | 175.6 | -60.4 | -176.9 | 0 | 0 | 0 | 112.1 | F259 Q260 R266 I527 | F259-L263 VanDerWaalsContact O-CG 3.31Å; F259-L263 WeakPolarHBondContact O-CG 3.43Å; F259-L263 PolarHBondContact O-N 2.83Å; Q260-L263 PolarHBondContact O-N 3.25Å; L263-R266 VanDerWaalsContact CB-NH2 3.27Å; L263-R266 WeakPolarHBondContact O-CD 3.35Å; L263-R266 WeakPolarHBondContact O-CG 3.39Å; L263-R266 PolarHBondContact O-NE 3.26Å; L263-I527 HydrophobicContact CD2-CB 4.13Å; L263-I527 HydrophobicContact CD2-CG1 3.5Å |
| 264 | N | 65.5 | Low | 59.8 | Low | 122 Ų | 122 | 77.9 Ų | 77.9 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -82.1 | -20.9 | -174.9 | -73 | -27.5 | 0 | 0 | 0 | 114.1 | Q260 L261 | Q260-N264 VanDerWaalsContact O-CB 3.31Å; Q260-N264 WeakPolarHBondContact O-CB 3.49Å; Q260-N264 PolarHBondContact O-N 3.27Å; Q260-N264 PolarHBondContact O-ND2 2.97Å; Q260-N264 VanDerWaalsContact O-ND2 3.17Å; L261-N264 PolarHBondContact O-N 3Å |
| 265 | R | 58.3 | Low | 59.3 | Low | 111 Ų | 111 | 77.9 Ų | 77.9 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 33.7 | -172 | -66 | -173 | 168.1 | -169.5 | -9.5 | 113.9 | E214 L261 F267 Y272 | E214-R265 VanDerWaalsContact CD-CZ 3.43Å; E214-R265 IonicContact OE1-CZ 3.98Å; E214-R265 VanDerWaalsContact OE1-CZ 3.3Å; E214-R265 IonicContact OE1-NE 2.85Å; E214-R265 IonicContact OE1-NH1 3.27Å; E214-R265 IonicContact OE1-NH2 3.88Å; E214-R265 PolarHBondContact OE1-NH2 2.96Å; E214-R265 IonicContact OE2-CZ 3.9Å; E214-R265 IonicContact OE2-NH1 3.01Å; E214-R265 PolarHBondContact OE2-NH1 3.47Å; E214-R265 IonicContact OE2-NH2 2.99Å; E214-R265 PolarHBondContact OE2-NH2 3.28Å; L261-R265 WeakPolarHBondContact O-CB 3.26Å; L261-R265 PolarHBondContact O-N 3.47Å; R265-F267 PolarHBondContact O-N 3.25Å; R265-Y272 PolarHBondContact NH1-OH 3.49Å |
| 266 | R | 52.5 | Low | 59.1 | Low | 69 Ų | 69 | 80.4 Ų | 80.4 | 26% | 0.26 | 38% | 0.384 | S | S | . | . | trans | -63.9 | 22.7 | -170.8 | -74.6 | 175.4 | -174.7 | 161.7 | 6.9 | 117.5 | L263 D530 E534 | L263-R266 VanDerWaalsContact CB-NH2 3.27Å; L263-R266 WeakPolarHBondContact O-CD 3.35Å; L263-R266 WeakPolarHBondContact O-CG 3.39Å; L263-R266 PolarHBondContact O-NE 3.26Å; R266-D530 VanDerWaalsContact CZ-CB 3.46Å; R266-D530 IonicContact CZ-OD2 3.31Å; R266-D530 IonicContact NH1-OD2 2.67Å; R266-D530 VanDerWaalsContact NH2-CG 3.35Å; R266-D530 IonicContact NH2-OD2 2.7Å; R266-D530 PolarHBondContact NH2-OD2 3.08Å; R266-E534 WeakPolarHBondContact CD-OE1 3.22Å; R266-E534 VanDerWaalsContact CD-OE2 3.3Å; R266-E534 WeakPolarHBondContact CD-OE2 3.31Å; R266-E534 IonicContact CZ-OE1 2.71Å; R266-E534 IonicContact NE-OE1 3.74Å; R266-E534 IonicContact NH1-OE1 3.5Å; R266-E534 PolarHBondContact NH1-OE1 3.14Å | ||
| 267 | F | 35.7 | Very low | 59.4 | Low | 189 Ų | 189 | 78.1 Ų | 78.1 | 83% | 0.829 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -97.9 | 134.4 | 167.7 | -74.1 | -82.9 | 0 | 0 | 0 | 111.3 | R265 G269 | R265-F267 PolarHBondContact O-N 3.25Å; F267-G269 PolarHBondContact O-N 3.34Å |
| 268 | K | 44 | Very low | 59.8 | Low | 186 Ų | 186 | 78.3 Ų | 78.3 | 81% | 0.809 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.5 | 176.3 | -70.4 | -176.8 | 174.1 | -169.2 | 0 | 110 | ||
| 269 | G | 38.1 | Very low | 60.2 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 74% | 0.742 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.7 | -18.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F267 | F267-G269 PolarHBondContact O-N 3.34Š|
| 270 | Y | 34.7 | Very low | 60.7 | Low | 199 Ų | 199 | 78.1 Ų | 78.1 | 78% | 0.78 | 37% | 0.374 | S | S | * | . | trans | -102.6 | 95.9 | 175.2 | -75.9 | -86.8 | 0 | 0 | 0 | 110.9 | Y272 | Y270-Y272 PolarHBondContact O-N 3.11Š| ||
| 271 | V | 39 | Very low | 61.4 | Low | 123 Ų | 123 | 75.2 Ų | 75.2 | 75% | 0.745 | 36% | 0.361 | S | S | * | . | trans | -68.8 | 96.3 | 164.4 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | R273 | V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 HydrophobicContact CG1-CG 4.4Å; V271-R273 PolarHBondContact O-N 3.22Å | ||
| 272 | Y | 44.5 | Very low | 62.3 | Low | 45 Ų | 45 | 75.1 Ų | 75.1 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | trans | -57.5 | 106.9 | 156 | -91.2 | -82.2 | 0 | 0 | 0 | 105.1 | L262 R265 Y270 D274 | L262-Y272 HydrophobicContact CD2-CD2 4.31Å; R265-Y272 PolarHBondContact NH1-OH 3.49Å; Y270-Y272 PolarHBondContact O-N 3.11Å; Y272-D274 PolarHBondContact O-N 3.48Å | ||
| 273 | R | 52 | Low | 63.2 | Low | 195 Ų | 195 | 73.5 Ų | 73.5 | 74% | 0.736 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -61.4 | -18.5 | -173.9 | -74.8 | -173.3 | 178.4 | -163.8 | -0.2 | 111.6 | V271 | V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 HydrophobicContact CG1-CG 4.4Å; V271-R273 PolarHBondContact O-N 3.22Å |
| 274 | D | 62.5 | Low | 64.1 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -112.7 | -30.5 | -162.8 | -43.6 | -38 | 0 | 0 | 0 | 114.4 | S218 I222 Y272 T279 | S218-D274 PolarHBondContact OG-OD2 3.28Å; I222-D274 HydrophobicContact CD1-CB 3.85Å; Y272-D274 PolarHBondContact O-N 3.48Å; D274-T279 WeakPolarHBondContact O-CG2 3.49Å; D274-T279 PolarHBondContact O-OG1 2.72Å |
| 275 | I | 71.4 | Confident | 65 | Low | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | trans | -119.6 | 97.4 | 178.5 | -56.8 | 175.7 | 0 | 0 | 0 | 110.3 | F221 C258 L262 I280 | F221-I275 HydrophobicContact CD1-CD1 3.64Å; F221-I275 HydrophobicContact CD1-CG1 4.29Å; F221-I275 HydrophobicContact CE1-CD1 4.32Å; F221-I275 HydrophobicContact CG-CD1 4.4Å; C258-I275 HydrophobicContact CB-CD1 3.5Å; C258-I275 WeakPolarHBondContact SG-CD1 3.49Å; L262-I275 HydrophobicContact CD1-CG2 4.31Å; I275-I280 HydrophobicContact CG2-CD1 3.98Å; I275-I280 HydrophobicContact CG2-CG1 4.21Å | ||
| 276 | N | 75.3 | Confident | 66.3 | Low | 54 Ų | 54 | 62 Ų | 62 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -124.9 | 178.8 | 173 | 66.5 | 60.4 | 0 | 0 | 0 | 110.6 | N278 T279 I280 | N276-N278 VanDerWaalsContact C-N 3.28Å; N276-N278 PolarHBondContact O-N 2.9Å; N276-N278 WeakPolarHBondContact OD1-CA 3.38Å; N276-N278 VanDerWaalsContact OD1-CB 3.26Å; N276-N278 WeakPolarHBondContact OD1-CB 3.38Å; N276-N278 PolarHBondContact OD1-N 2.99Å; N276-T279 PolarHBondContact N-OG1 2.91Å; N276-T279 PolarHBondContact ND2-OG1 3.48Å; N276-T279 VanDerWaalsContact O-CB 3.28Å; N276-T279 WeakPolarHBondContact O-CB 3.4Å; N276-T279 PolarHBondContact O-N 3.12Å; N276-T279 VanDerWaalsContact O-N 3.1Å; N276-T279 PolarHBondContact OD1-N 3.49Å; N276-T279 VanDerWaalsContact OD1-N 3.14Å; N276-T279 PolarHBondContact OD1-OG1 3.33Å; N276-I280 PolarHBondContact O-N 3.06Å |
| 277 | S | 79.4 | Confident | 67.8 | Low | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -27.6 | -178.6 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | I281 S345 K348 | S277-I281 WeakPolarHBondContact O-CB 3.37Å; S277-I281 WeakPolarHBondContact O-CD1 3.44Å; S277-I281 VanDerWaalsContact O-CG1 3.27Å; S277-I281 WeakPolarHBondContact O-CG1 3.19Å; S277-I281 PolarHBondContact O-N 2.64Å; S277-S345 WeakPolarHBondContact CB-O 3.42Å; S277-S345 WeakPolarHBondContact CB-OG 3.25Å; S277-S345 WeakPolarHBondContact OG-CB 3.18Å; S277-S345 PolarHBondContact OG-O 3.43Å; S277-S345 PolarHBondContact OG-OG 3.42Å; S277-K348 WeakPolarHBondContact OG-CE 3.16Å; S277-K348 PolarHBondContact OG-NZ 3.41Å |
| 278 | N | 82.8 | Confident | 70.1 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 172.1 | -64.4 | -34.5 | 0 | 0 | 0 | 111.6 | N276 I280 I281 S282 K348 | N276-N278 VanDerWaalsContact C-N 3.28Å; N276-N278 PolarHBondContact O-N 2.9Å; N276-N278 WeakPolarHBondContact OD1-CA 3.38Å; N276-N278 VanDerWaalsContact OD1-CB 3.26Å; N276-N278 WeakPolarHBondContact OD1-CB 3.38Å; N276-N278 PolarHBondContact OD1-N 2.99Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 3.28Å; N278-I281 PolarHBondContact O-N 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.1Å; N278-S282 PolarHBondContact O-N 3.21Å; N278-S282 PolarHBondContact O-OG 3.23Å; N278-K348 PolarHBondContact OD1-NZ 3Å |
| 279 | T | 82.2 | Confident | 72 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 174.1 | -44.4 | 0 | 0 | 0 | 0 | 110.5 | L164 D274 N276 S282 L283 | L164-T279 HydrophobicContact CB-CG2 4.25Å; L164-T279 HydrophobicContact CD1-CG2 3.52Å; D274-T279 WeakPolarHBondContact O-CG2 3.49Å; D274-T279 PolarHBondContact O-OG1 2.72Å; N276-T279 PolarHBondContact N-OG1 2.91Å; N276-T279 PolarHBondContact ND2-OG1 3.48Å; N276-T279 VanDerWaalsContact O-CB 3.28Å; N276-T279 WeakPolarHBondContact O-CB 3.4Å; N276-T279 PolarHBondContact O-N 3.12Å; N276-T279 VanDerWaalsContact O-N 3.1Å; N276-T279 PolarHBondContact OD1-N 3.49Å; N276-T279 VanDerWaalsContact OD1-N 3.14Å; N276-T279 PolarHBondContact OD1-OG1 3.33Å; T279-S282 WeakPolarHBondContact O-CB 3.08Å; T279-S282 PolarHBondContact O-N 3.33Å; T279-L283 PolarHBondContact O-N 3Å |
| 280 | I | 83.8 | Confident | 74 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -38.7 | 179 | -60.4 | -57.9 | 0 | 0 | 0 | 111.8 | F221 I275 N276 N278 S282 L283 V284 W346 V349 V520 | F221-I280 HydrophobicContact CE1-CD1 4.45Å; I275-I280 HydrophobicContact CG2-CD1 3.98Å; I275-I280 HydrophobicContact CG2-CG1 4.21Å; N276-I280 PolarHBondContact O-N 3.06Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 3.28Å; I280-S282 PolarHBondContact O-N 3.37Å; I280-L283 HydrophobicContact CD1-CD2 4.34Å; I280-L283 PolarHBondContact O-N 3.37Å; I280-V284 HydrophobicContact CG2-CG2 4.13Å; I280-V284 WeakPolarHBondContact O-CB 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 2.88Å; I280-W346 HydrophobicContact CB-CZ3 4.06Å; I280-W346 HydrophobicContact CG1-CH2 3.75Å; I280-W346 HydrophobicContact CG1-CZ3 3.68Å; I280-W346 HydrophobicContact CG2-CZ3 4.27Å; I280-V349 HydrophobicContact CB-CG1 4.4Å; I280-V349 HydrophobicContact CG2-CG1 3.63Å; I280-V520 HydrophobicContact CG2-CG1 3.81Å |
| 281 | I | 85.3 | Confident | 76 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -41.7 | 170.7 | -75.7 | 165 | 0 | 0 | 0 | 110.7 | S277 N278 V284 S285 K348 V349 V352 E421 V425 | S277-I281 WeakPolarHBondContact O-CB 3.37Å; S277-I281 WeakPolarHBondContact O-CD1 3.44Å; S277-I281 VanDerWaalsContact O-CG1 3.27Å; S277-I281 WeakPolarHBondContact O-CG1 3.19Å; S277-I281 PolarHBondContact O-N 2.64Å; N278-I281 PolarHBondContact O-N 3.29Å; I281-V284 PolarHBondContact O-N 3.01Å; I281-S285 VanDerWaalsContact O-CB 3.27Å; I281-S285 WeakPolarHBondContact O-CB 3.4Å; I281-S285 PolarHBondContact O-N 3.03Å; I281-S285 PolarHBondContact O-OG 3.17Å; I281-K348 HydrophobicContact CD1-CB 4.28Å; I281-K348 HydrophobicContact CD1-CD 3.68Å; I281-K348 HydrophobicContact CD1-CG 3.9Å; I281-V349 HydrophobicContact CD1-CG2 4.39Å; I281-V349 HydrophobicContact CG1-CB 4.46Å; I281-V349 HydrophobicContact CG1-CG2 4.08Å; I281-V352 HydrophobicContact CD1-CG2 4.5Å; I281-V352 HydrophobicContact CG1-CG2 4.42Å; I281-E421 HydrophobicContact CD1-CB 4.15Å; I281-V425 HydrophobicContact CG2-CG1 4.04Å |
| 282 | S | 88.3 | Confident | 77.8 | Confident | 14 Ų | 14 | 25 Ų | 25 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 180 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | E165 N278 T279 I280 S285 I286 | E165-S282 WeakPolarHBondContact CG-OG 3.39Å; N278-S282 WeakPolarHBondContact O-CB 3.1Å; N278-S282 PolarHBondContact O-N 3.21Å; N278-S282 PolarHBondContact O-OG 3.23Å; T279-S282 WeakPolarHBondContact O-CB 3.08Å; T279-S282 PolarHBondContact O-N 3.33Å; I280-S282 PolarHBondContact O-N 3.37Å; S282-S285 WeakPolarHBondContact O-CB 3.31Å; S282-S285 PolarHBondContact O-N 2.78Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.45Å |
| 283 | L | 86.7 | Confident | 79.5 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 172.7 | 176.4 | 69.3 | 0 | 0 | 0 | 111.6 | L164 F221 T279 I280 S285 I286 Q287 V520 | L164-L283 HydrophobicContact CD2-CD1 4.17Å; F221-L283 HydrophobicContact CE1-CD2 4.29Å; F221-L283 HydrophobicContact CZ-CD2 3.57Å; T279-L283 PolarHBondContact O-N 3Å; I280-L283 HydrophobicContact CD1-CD2 4.34Å; I280-L283 PolarHBondContact O-N 3.37Å; L283-S285 VanDerWaalsContact C-N 3.27Å; L283-S285 PolarHBondContact O-N 2.87Å; L283-I286 WeakPolarHBondContact O-CB 3.2Å; L283-I286 PolarHBondContact O-N 3.36Å; L283-Q287 WeakPolarHBondContact O-CG 3.46Å; L283-Q287 PolarHBondContact O-N 2.92Å; L283-V520 HydrophobicContact CD2-CG2 4.43Å |
| 284 | V | 83.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | I280 I281 Q287 M288 V352 I353 V520 | I280-V284 HydrophobicContact CG2-CG2 4.13Å; I280-V284 WeakPolarHBondContact O-CB 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 2.88Å; I281-V284 PolarHBondContact O-N 3.01Å; V284-Q287 WeakPolarHBondContact O-CB 3.12Å; V284-Q287 PolarHBondContact O-N 3.12Å; V284-M288 HydrophobicContact CG1-CE 3.17Å; V284-M288 HydrophobicContact CG1-SD 3.95Å; V284-M288 WeakPolarHBondContact O-CG 3.35Å; V284-M288 PolarHBondContact O-N 3.02Å; V284-V352 HydrophobicContact CG1-CG1 4.49Å; V284-I353 HydrophobicContact CG1-CG1 4.23Å; V284-V520 HydrophobicContact CG2-CG1 3.75Å |
| 285 | S | 86.2 | Confident | 81 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | I281 S282 L283 Q287 M288 E289 V425 I428 | I281-S285 VanDerWaalsContact O-CB 3.27Å; I281-S285 WeakPolarHBondContact O-CB 3.4Å; I281-S285 PolarHBondContact O-N 3.03Å; I281-S285 PolarHBondContact O-OG 3.17Å; S282-S285 WeakPolarHBondContact O-CB 3.31Å; S282-S285 PolarHBondContact O-N 2.78Å; L283-S285 VanDerWaalsContact C-N 3.27Å; L283-S285 PolarHBondContact O-N 2.87Å; S285-Q287 VanDerWaalsContact C-N 3.31Å; S285-Q287 PolarHBondContact O-N 3.2Å; S285-M288 PolarHBondContact O-N 2.81Å; S285-E289 PolarHBondContact O-N 2.89Å; S285-V425 WeakPolarHBondContact OG-CG1 3.28Å; S285-I428 VanDerWaalsContact CB-CD1 3.44Å |
| 286 | I | 85.5 | Confident | 81.2 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.9 | -70.2 | 162.1 | 0 | 0 | 0 | 110.4 | L164 A167 C168 L171 A229 S282 L283 E289 L290 | L164-I286 HydrophobicContact CD2-CD1 4.23Å; L164-I286 WeakPolarHBondContact O-CD1 3.27Å; A167-I286 HydrophobicContact CB-CD1 3.85Å; C168-I286 HydrophobicContact CB-CD1 4.08Å; C168-I286 HydrophobicContact CB-CG1 3.92Å; L171-I286 HydrophobicContact CD2-CB 4.3Å; L171-I286 HydrophobicContact CD2-CG1 4.32Å; L171-I286 HydrophobicContact CD2-CG2 4.04Å; A229-I286 HydrophobicContact CB-CG2 4.04Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.45Å; L283-I286 WeakPolarHBondContact O-CB 3.2Å; L283-I286 PolarHBondContact O-N 3.36Å; I286-E289 PolarHBondContact O-N 2.78Å; I286-L290 HydrophobicContact CG2-CD1 3.67Å; I286-L290 HydrophobicContact CG2-CG 4.26Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 WeakPolarHBondContact O-CG 3.48Å; I286-L290 PolarHBondContact O-N 2.87Å |
| 287 | Q | 83.6 | Confident | 81 | Confident | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 179 | -74 | 170.1 | -12.8 | 0 | 0 | 111.6 | L283 V284 S285 L290 I291 L515 I517 | L283-Q287 WeakPolarHBondContact O-CG 3.46Å; L283-Q287 PolarHBondContact O-N 2.92Å; V284-Q287 WeakPolarHBondContact O-CB 3.12Å; V284-Q287 PolarHBondContact O-N 3.12Å; S285-Q287 VanDerWaalsContact C-N 3.31Å; S285-Q287 PolarHBondContact O-N 3.2Å; Q287-L290 PolarHBondContact O-N 2.92Å; Q287-I291 VanDerWaalsContact O-CG1 3.31Å; Q287-I291 WeakPolarHBondContact O-CG1 2.94Å; Q287-I291 PolarHBondContact O-N 3.39Å; Q287-L515 HydrophobicContact CB-CD2 3.63Å; Q287-L515 HydrophobicContact CG-CD2 3.85Å; Q287-I517 HydrophobicContact CB-CD1 3.96Å; Q287-I517 HydrophobicContact CB-CG1 3.85Å; Q287-I517 HydrophobicContact CG-CG1 4.47Å |
| 288 | M | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -50.8 | 176.7 | -69.2 | 167.5 | 179.7 | 0 | 0 | 111.9 | V284 S285 L290 I291 E292 V352 W356 I428 L429 I517 | V284-M288 HydrophobicContact CG1-CE 3.17Å; V284-M288 HydrophobicContact CG1-SD 3.95Å; V284-M288 WeakPolarHBondContact O-CG 3.35Å; V284-M288 PolarHBondContact O-N 3.02Å; S285-M288 PolarHBondContact O-N 2.81Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.21Å; M288-I291 WeakPolarHBondContact O-CB 3.31Å; M288-I291 PolarHBondContact O-N 3.11Å; M288-E292 PolarHBondContact O-N 3.46Å; M288-E292 VanDerWaalsContact O-N 3.09Å; M288-V352 HydrophobicContact CE-CG1 4.42Å; M288-W356 HydrophobicContact CE-CB 3.33Å; M288-W356 HydrophobicContact CE-CD2 3.86Å; M288-W356 HydrophobicContact CE-CE3 4.34Å; M288-W356 HydrophobicContact CE-CG 3.41Å; M288-W356 VanDerWaalsContact CE-CG 3.41Å; M288-W356 HydrophobicContact CG-CD2 4.19Å; M288-W356 HydrophobicContact CG-CG 3.99Å; M288-W356 HydrophobicContact SD-CB 4.06Å; M288-W356 HydrophobicContact SD-CG 3.89Å; M288-I428 HydrophobicContact CB-CG2 3.73Å; M288-I428 HydrophobicContact SD-CG2 4.48Å; M288-L429 HydrophobicContact SD-CD2 3.96Å; M288-I517 HydrophobicContact CG-CD1 4.45Å |
| 289 | E | 83.3 | Confident | 79.1 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.7 | -81.1 | -69.9 | 157.6 | 0 | 0 | 112.8 | L171 R175 S285 I286 E292 L293 I428 | L171-E289 HydrophobicContact CD2-CB 3.7Å; L171-E289 HydrophobicContact CG-CB 4.17Å; R175-E289 IonicContact NE-OE2 2.76Å; R175-E289 PolarHBondContact NE-OE2 3.47Å; S285-E289 PolarHBondContact O-N 2.89Å; I286-E289 PolarHBondContact O-N 2.78Å; E289-E292 PolarHBondContact O-N 3.43Å; E289-L293 WeakPolarHBondContact O-CB 3.34Å; E289-L293 PolarHBondContact O-N 2.61Å; E289-I428 HydrophobicContact CG-CD1 3.93Å; E289-I428 HydrophobicContact CG-CG1 3.97Å; E289-I428 HydrophobicContact CG-CG2 4.15Å; E289-I428 WeakPolarHBondContact OE1-CG1 3.19Å |
| 290 | L | 81 | Confident | 77.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68 | -37 | 176.2 | -72.9 | 172.7 | 0 | 0 | 0 | 112 | L171 A229 L232 Y233 I286 Q287 M288 L293 L294 | L171-L290 HydrophobicContact CD2-CD2 4.47Å; L171-L290 HydrophobicContact CD2-CG 4.23Å; A229-L290 HydrophobicContact CB-CD1 3.88Å; L232-L290 HydrophobicContact CB-CD1 4.23Å; L232-L290 HydrophobicContact CB-CD2 4.45Å; L232-L290 HydrophobicContact CD1-CD1 4.16Å; Y233-L290 HydrophobicContact CD2-CD2 4.2Å; I286-L290 HydrophobicContact CG2-CD1 3.67Å; I286-L290 HydrophobicContact CG2-CG 4.26Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 WeakPolarHBondContact O-CG 3.48Å; I286-L290 PolarHBondContact O-N 2.87Å; Q287-L290 PolarHBondContact O-N 2.92Å; M288-L290 VanDerWaalsContact C-N 3.33Å; M288-L290 PolarHBondContact O-N 3.21Å; L290-L293 HydrophobicContact CD2-CD2 4.33Å; L290-L293 PolarHBondContact O-N 2.72Å; L290-L294 WeakPolarHBondContact O-CB 3.39Å; L290-L294 WeakPolarHBondContact O-CG 3.49Å; L290-L294 PolarHBondContact O-N 3.35Å |
| 291 | I | 76.2 | Confident | 76.3 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 5% | 0.046 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 173.3 | -69.9 | 166.2 | 0 | 0 | 0 | 109.7 | Q287 M288 L293 L294 Q295 W356 L515 I517 | Q287-I291 VanDerWaalsContact O-CG1 3.31Å; Q287-I291 WeakPolarHBondContact O-CG1 2.94Å; Q287-I291 PolarHBondContact O-N 3.39Å; M288-I291 WeakPolarHBondContact O-CB 3.31Å; M288-I291 PolarHBondContact O-N 3.11Å; I291-L293 PolarHBondContact O-N 3.47Å; I291-L294 PolarHBondContact O-N 2.91Å; I291-Q295 HydrophobicContact CG2-CG 4.37Å; I291-Q295 VanDerWaalsContact O-CG 3.31Å; I291-Q295 WeakPolarHBondContact O-CG 3.48Å; I291-Q295 PolarHBondContact O-N 3.41Å; I291-W356 HydrophobicContact CD1-CH2 4.13Å; I291-W356 HydrophobicContact CD1-CZ2 3.8Å; I291-L515 HydrophobicContact CD1-CD2 3.85Å; I291-L515 HydrophobicContact CG1-CD1 4.39Å; I291-L515 HydrophobicContact CG1-CD2 3.77Å; I291-I517 HydrophobicContact CD1-CD1 3.45Å; I291-I517 VanDerWaalsContact CD1-CD1 3.45Å |
| 292 | E | 77.7 | Confident | 74.6 | Confident | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 178.5 | -70 | -170.6 | -175.8 | 0 | 0 | 111.7 | M288 E289 L294 Q295 E296 | M288-E292 PolarHBondContact O-N 3.46Å; M288-E292 VanDerWaalsContact O-N 3.09Å; E289-E292 PolarHBondContact O-N 3.43Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 2.88Å; E292-Q295 PolarHBondContact O-N 3.45Å; E292-E296 WeakPolarHBondContact O-CG 3.26Å; E292-E296 PolarHBondContact O-N 3.31Å |
| 293 | L | 78.5 | Confident | 72.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.4 | -173.8 | 87.6 | 0 | 0 | 0 | 112.2 | Y233 E289 L290 I291 K297 | Y233-L293 HydrophobicContact CD2-CD2 3.8Å; Y233-L293 HydrophobicContact CE2-CD2 4.25Å; E289-L293 WeakPolarHBondContact O-CB 3.34Å; E289-L293 PolarHBondContact O-N 2.61Å; L290-L293 HydrophobicContact CD2-CD2 4.33Å; L290-L293 PolarHBondContact O-N 2.72Å; I291-L293 PolarHBondContact O-N 3.47Å; L293-K297 WeakPolarHBondContact O-CG 3.31Å; L293-K297 PolarHBondContact O-N 3.05Å; L293-K297 VanDerWaalsContact O-N 3.09Å |
| 294 | L | 73.8 | Confident | 70.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -37.9 | 179.9 | -70.8 | 173.6 | 0 | 0 | 0 | 111.6 | L232 L290 I291 E292 K297 G298 S299 K301 A302 | L232-L294 HydrophobicContact CB-CD1 4.43Å; L232-L294 HydrophobicContact CD2-CD1 4.1Å; L290-L294 WeakPolarHBondContact O-CB 3.39Å; L290-L294 WeakPolarHBondContact O-CG 3.49Å; L290-L294 PolarHBondContact O-N 3.35Å; I291-L294 PolarHBondContact O-N 2.91Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 2.88Å; L294-K297 PolarHBondContact O-N 3.47Å; L294-G298 PolarHBondContact O-N 3.46Å; L294-S299 PolarHBondContact O-N 2.86Å; L294-K301 HydrophobicContact CD1-CB 3.91Å; L294-K301 HydrophobicContact CD2-CB 3.91Å; L294-K301 HydrophobicContact CD2-CD 4.12Å; L294-K301 HydrophobicContact CG-CB 4.39Å; L294-A302 HydrophobicContact CB-CB 4.11Å |
| 295 | Q | 72.6 | Confident | 68.3 | Low | 85 Ų | 85 | 45.7 Ų | 45.7 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 174.4 | -73 | 175.3 | -7.2 | 0 | 0 | 111.2 | I291 E292 K297 G298 A302 | I291-Q295 HydrophobicContact CG2-CG 4.37Å; I291-Q295 VanDerWaalsContact O-CG 3.31Å; I291-Q295 WeakPolarHBondContact O-CG 3.48Å; I291-Q295 PolarHBondContact O-N 3.41Å; E292-Q295 PolarHBondContact O-N 3.45Å; Q295-K297 VanDerWaalsContact C-N 3.31Å; Q295-K297 PolarHBondContact O-N 3.34Å; Q295-G298 PolarHBondContact O-N 3.11Å; Q295-A302 HydrophobicContact CB-CB 4.41Å; Q295-A302 HydrophobicContact CG-CB 3.83Å |
| 296 | E | 75.7 | Confident | 65.8 | Low | 124 Ų | 124 | 49.6 Ų | 49.6 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.1 | -38.8 | 176.3 | -75.5 | 176.4 | -175.7 | 0 | 0 | 112.7 | R175 E292 G298 | R175-E296 IonicContact CZ-OE1 3.35Å; R175-E296 IonicContact CZ-OE2 3.18Å; R175-E296 IonicContact NH1-OE1 3.38Å; R175-E296 IonicContact NH1-OE2 3.16Å; R175-E296 PolarHBondContact NH1-OE2 2.96Å; R175-E296 IonicContact NH2-OE1 3.69Å; R175-E296 PolarHBondContact NH2-OE1 3.33Å; R175-E296 IonicContact NH2-OE2 2.87Å; R175-E296 PolarHBondContact NH2-OE2 3.34Å; R175-E296 VanDerWaalsContact NH2-OE2 3.07Å; E292-E296 WeakPolarHBondContact O-CG 3.26Å; E292-E296 PolarHBondContact O-N 3.31Å; E296-G298 PolarHBondContact O-N 3.43Å |
| 297 | K | 72.3 | Confident | 63.1 | Low | 102 Ų | 102 | 56.2 Ų | 56.2 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5 | 176.4 | -72.9 | -179.7 | 179.1 | -175.2 | 0 | 113.4 | N235 L293 L294 Q295 S299 | N235-K297 PolarHBondContact OD1-NZ 2.83Å; L293-K297 WeakPolarHBondContact O-CG 3.31Å; L293-K297 PolarHBondContact O-N 3.05Å; L293-K297 VanDerWaalsContact O-N 3.09Å; L294-K297 PolarHBondContact O-N 3.47Å; Q295-K297 VanDerWaalsContact C-N 3.31Å; Q295-K297 PolarHBondContact O-N 3.34Å; K297-S299 PolarHBondContact O-N 3.48Å; K297-S299 VanDerWaalsContact O-N 3.17Å |
| 298 | G | 62.2 | Low | 60.4 | Low | 66 Ų | 66 | 58 Ų | 58 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 22.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L294 Q295 E296 | L294-G298 PolarHBondContact O-N 3.46Å; Q295-G298 PolarHBondContact O-N 3.11Å; E296-G298 PolarHBondContact O-N 3.43Å |
| 299 | S | 58.5 | Low | 57.9 | Low | 36 Ų | 36 | 63.1 Ų | 63.1 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -67.6 | 138.3 | -174.3 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | L294 K297 K301 A302 | L294-S299 PolarHBondContact O-N 2.86Å; K297-S299 PolarHBondContact O-N 3.48Å; K297-S299 VanDerWaalsContact O-N 3.17Å; S299-K301 PolarHBondContact O-N 3.17Å; S299-K301 VanDerWaalsContact O-N 3.1Å; S299-K301 WeakPolarHBondContact OG-CB 3.46Å; S299-K301 WeakPolarHBondContact OG-CG 3.38Å; S299-K301 PolarHBondContact OG-N 3.05Å; S299-A302 WeakPolarHBondContact O-CB 3.45Å; S299-A302 PolarHBondContact O-N 3.49Å | ||
| 300 | R | 52.4 | Low | 55.2 | Low | 214 Ų | 214 | 65.7 Ų | 65.7 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -57 | -25.1 | 169.5 | -74.6 | -172.8 | -175.7 | -176.3 | 3.8 | 111.8 | A302 K303 | R300-A302 PolarHBondContact O-N 2.98Å; R300-K303 PolarHBondContact O-N 3.4Å |
| 301 | K | 56.3 | Low | 52.6 | Low | 25 Ų | 25 | 69.1 Ų | 69.1 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -55.1 | -20.2 | 171 | -58.6 | -178.6 | 179.3 | -178.1 | 0 | 112.9 | Y231 T236 D241 L294 S299 I304 | Y231-K301 PolarHBondContact O-NZ 3.04Å; T236-K301 PolarHBondContact OG1-NZ 2.78Å; D241-K301 WeakPolarHBondContact OD1-CE 3.34Å; D241-K301 IonicContact OD1-NZ 3.51Å; L294-K301 HydrophobicContact CD1-CB 3.91Å; L294-K301 HydrophobicContact CD2-CB 3.91Å; L294-K301 HydrophobicContact CD2-CD 4.12Å; L294-K301 HydrophobicContact CG-CB 4.39Å; S299-K301 PolarHBondContact O-N 3.17Å; S299-K301 VanDerWaalsContact O-N 3.1Å; S299-K301 WeakPolarHBondContact OG-CB 3.46Å; S299-K301 WeakPolarHBondContact OG-CG 3.38Å; S299-K301 PolarHBondContact OG-N 3.05Å; K301-I304 WeakPolarHBondContact O-CB 3.39Å |
| 302 | A | 48.4 | Very low | 50.3 | Low | 17 Ų | 17 | 71.7 Ų | 71.7 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -79.9 | -23.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L294 Q295 S299 R300 I304 | L294-A302 HydrophobicContact CB-CB 4.11Å; Q295-A302 HydrophobicContact CB-CB 4.41Å; Q295-A302 HydrophobicContact CG-CB 3.83Å; S299-A302 WeakPolarHBondContact O-CB 3.45Å; S299-A302 PolarHBondContact O-N 3.49Å; R300-A302 PolarHBondContact O-N 2.98Å; A302-I304 PolarHBondContact O-N 3.32Å |
| 303 | K | 43.8 | Very low | 47.8 | Very low | 168 Ų | 168 | 73.2 Ų | 73.2 | 73% | 0.73 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -74.8 | -7.3 | 176.8 | -80.7 | -174.7 | 175.4 | -177.3 | 0 | 113.2 | R300 S305 | R300-K303 PolarHBondContact O-N 3.4Å; K303-S305 PolarHBondContact O-N 3.13Å |
| 304 | I | 45.1 | Very low | 45.5 | Very low | 18 Ų | 18 | 77.1 Ų | 77.1 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -81.6 | 6.8 | -174.5 | -55.3 | -178.7 | 0 | 0 | 0 | 112.1 | K301 A302 D512 G513 | K301-I304 WeakPolarHBondContact O-CB 3.39Å; A302-I304 PolarHBondContact O-N 3.32Å; I304-D512 HydrophobicContact CG1-CB 4.25Å; I304-D512 HydrophobicContact CG2-CB 4.14Å; I304-G513 WeakPolarHBondContact CG2-O 3.26Å |
| 305 | S | 36.6 | Very low | 43.2 | Very low | 16 Ų | 16 | 81.7 Ų | 81.7 | 11% | 0.112 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -87.6 | -6.5 | 176.2 | 73.9 | 0 | 0 | 0 | 0 | 113.9 | K303 E363 | K303-S305 PolarHBondContact O-N 3.13Å; S305-E363 WeakPolarHBondContact CB-OE1 3.39Å; S305-E363 VanDerWaalsContact O-OE2 3.06Å; S305-E363 PolarHBondContact OG-OE1 3.48Å |
| 306 | H | 35.6 | Very low | 41.1 | Very low | 84 Ų | 84 | 82.2 Ų | 82.2 | 39% | 0.389 | 48% | 0.477 | S | S | . | . | trans | -114.4 | 105.2 | -173.5 | -53.9 | -39.8 | 0 | 0 | 0 | 111.1 | E362 E363 | H306-E362 WeakPolarHBondContact CE1-CG 3.29Å; H306-E363 IonicContact CE1-OE1 3.2Å; H306-E363 PolarHBondContact CE1-OE1 2.79Å; H306-E363 IonicContact ND1-OE1 3.21Å; H306-E363 PolarHBondContact ND1-OE1 2.97Å | ||
| 307 | L | 28 | Very low | 38.8 | Very low | 144 Ų | 144 | 85.1 Ų | 85.1 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | trans | 151.2 | 88.3 | 141.7 | -78 | 159.3 | 0 | 0 | 0 | 111.8 | ||||
| 308 | L | 27.5 | Very low | 36.5 | Very low | 48 Ų | 48 | 84.2 Ų | 84.2 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 133.2 | 165.6 | -106.3 | 169.4 | 0 | 0 | 0 | 110.6 | A366 | L308-A366 WeakPolarHBondContact CB-O 3.28Š|
| 309 | P | 30.4 | Very low | 34.8 | Very low | 106 Ų | 106 | 88 Ų | 88 | 69% | 0.688 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 128.5 | 158 | -4.7 | 22.4 | 0 | 0 | 0 | 110.3 | ||
| 310 | A | 26.4 | Very low | 33.3 | Very low | 65 Ų | 65 | 90.9 Ų | 90.9 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 132.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 311 | S | 27.6 | Very low | 32.3 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | trans | -120.3 | 106.9 | 170.5 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 312 | G | 27 | Very low | 31.1 | Very low | 62 Ų | 62 | 93.4 Ų | 93.4 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | trans | 71.5 | 99.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 313 | N | 25.7 | Very low | 30.2 | Very low | 63 Ų | 63 | 96.5 Ų | 96.5 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | trans | -81.4 | 141.2 | 163.8 | -74 | -34.5 | 0 | 0 | 0 | 112.5 | A373 D483 | N313-A373 VanDerWaalsContact OD1-CB 3.23Å; N313-A373 WeakPolarHBondContact OD1-CB 3.38Å; N313-D483 VanDerWaalsContact ND2-CB 3.25Å; N313-D483 WeakPolarHBondContact ND2-CB 3.19Å; N313-D483 PolarHBondContact ND2-OD2 3.06Å | ||
| 314 | I | 28.7 | Very low | 29.6 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | trans | -146.5 | 127.9 | 155.4 | -54.2 | 179.9 | 0 | 0 | 0 | 109.5 | M490 P493 | I314-M490 HydrophobicContact CG2-CB 4.23Å; I314-P493 HydrophobicContact CD1-CG 3.93Å | ||
| 315 | P | 27.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 101.3 Ų | 101.3 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | trans | -108.3 | 163.4 | -172.4 | 39.2 | -31.9 | 0 | 0 | 0 | 115.2 | ||||
| 316 | A | 27 | Very low | 29.4 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 79% | 0.793 | 60% | 0.602 | S | S | * | * | trans | -150.4 | 146.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 317 | K | 27.9 | Very low | 29.2 | Very low | 185 Ų | 185 | 102.3 Ų | 102.3 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -81.6 | 165.2 | -162.2 | -80.4 | 170.5 | 175.8 | 166.8 | 0 | 116.7 | D488 | K317-D488 IonicContact NZ-OD1 2.96Å; K317-D488 PolarHBondContact NZ-OD1 3.41Å | ||
| 318 | M | 25 | Very low | 29.5 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 41% | 0.409 | 60% | 0.595 | S | S | . | * | trans | -79.6 | 175 | -175 | -66.9 | 178.1 | 68.2 | 0 | 0 | 115.7 | T476 | M318-T476 HydrophobicContact CE-CG2 3.18Å; M318-T476 HydrophobicContact SD-CG2 3.49Å; M318-T476 WeakPolarHBondContact SD-CG2 3.34Å | ||
| 319 | V | 26.5 | Very low | 30 | Very low | 146 Ų | 146 | 104.9 Ų | 104.9 | 89% | 0.885 | 61% | 0.607 | S | S | * | * | -164.6 | 139.3 | 119 | 153 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 320 | N | 27.1 | Very low | 30.5 | Very low | 95 Ų | 95 | 101.2 Ų | 101.2 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | trans | -78.7 | 175.8 | 173.3 | -103.2 | -19.1 | 0 | 0 | 0 | 110.3 | ||||
| 321 | K | 30.4 | Very low | 31.2 | Very low | 160 Ų | 160 | 98.9 Ų | 98.9 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | cis | -170.5 | 155.8 | 1 | -121.7 | 170.5 | -178.8 | 177.5 | 0 | 103.6 | ||||
| 322 | N | 30.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 98.9 Ų | 98.9 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | 171.8 | 118.3 | 122.3 | -87.3 | -12 | 0 | 0 | 0 | 109.9 | L326 | N322-L326 WeakPolarHBondContact O-CD1 3.43Å; N322-L326 WeakPolarHBondContact O-CD2 3.17Å | |||
| 323 | S | 30.2 | Very low | 33.7 | Very low | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 54% | 0.54 | S | S | * | . | trans | -87.8 | 147 | 172.3 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 324 | N | 31.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 95.1 Ų | 95.1 | 72% | 0.717 | 53% | 0.526 | S | S | * | . | S | Bend | -157.1 | -11.2 | 85.7 | -88 | -17.5 | 0 | 0 | 0 | 114.5 | |||
| 325 | D | 37.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 91.4 Ų | 91.4 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.8 | 161.4 | -74 | -43.9 | 0 | 0 | 0 | 112.2 | A327 | D325-A327 PolarHBondContact O-N 3.48Å; D325-A327 VanDerWaalsContact O-N 3.17Å |
| 326 | L | 39.6 | Very low | 38.6 | Very low | 85 Ų | 85 | 93.1 Ų | 93.1 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -19.7 | 175.9 | -84.1 | 79.5 | 0 | 0 | 0 | 113.4 | N322 K328 V329 A330 | N322-L326 WeakPolarHBondContact O-CD1 3.43Å; N322-L326 WeakPolarHBondContact O-CD2 3.17Å; L326-K328 PolarHBondContact O-N 3.35Å; L326-V329 PolarHBondContact O-N 3.49Å; L326-A330 WeakPolarHBondContact O-CA 3.24Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.86Å |
| 327 | A | 31.5 | Very low | 40.6 | Very low | 35 Ų | 35 | 90 Ų | 90 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D325 C331 R394 | D325-A327 PolarHBondContact O-N 3.48Å; D325-A327 VanDerWaalsContact O-N 3.17Å; A327-C331 PolarHBondContact O-N 3.02Å; A327-R394 VanDerWaalsContact C-NH1 3.26Å; A327-R394 PolarHBondContact O-NH1 3.4Å |
| 328 | K | 34.3 | Very low | 42.8 | Very low | 166 Ų | 166 | 81.2 Ų | 81.2 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.9 | -43.9 | 174.7 | -78.5 | -178.8 | -180 | 173.1 | 0 | 111.6 | L326 C331 V332 | L326-K328 PolarHBondContact O-N 3.35Å; K328-C331 PolarHBondContact O-N 2.88Å; K328-V332 PolarHBondContact O-N 3.34Å; K328-V332 VanDerWaalsContact O-N 3.15Å |
| 329 | V | 37.2 | Very low | 45 | Very low | 81 Ų | 81 | 83.3 Ų | 83.3 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | L326 V332 M333 | L326-V329 PolarHBondContact O-N 3.49Å; V329-V332 PolarHBondContact O-N 2.93Å; V329-M333 HydrophobicContact CB-CE 4.45Å; V329-M333 HydrophobicContact CG1-CE 3.78Å; V329-M333 HydrophobicContact CG1-CG 4.36Å; V329-M333 HydrophobicContact CG1-SD 3.81Å; V329-M333 WeakPolarHBondContact O-CB 3.33Å; V329-M333 WeakPolarHBondContact O-CG 3.11Å; V329-M333 PolarHBondContact O-N 3.42Å |
| 330 | A | 41.7 | Very low | 46.9 | Very low | 29 Ų | 29 | 77.4 Ų | 77.4 | 24% | 0.24 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L326 V332 M333 V334 | L326-A330 WeakPolarHBondContact O-CA 3.24Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.86Å; A330-V332 VanDerWaalsContact C-N 3.29Å; A330-V332 PolarHBondContact O-N 3.28Å; A330-M333 CarbonylContact O-C 3.53Å; A330-M333 PolarHBondContact O-N 3.21Å; A330-M333 VanDerWaalsContact O-N 3.09Å; A330-V334 WeakPolarHBondContact O-CB 3.43Å; A330-V334 WeakPolarHBondContact O-CG2 3.47Å; A330-V334 PolarHBondContact O-N 3.36Å |
| 331 | C | 41.1 | Very low | 49.1 | Very low | 15 Ų | 15 | 73 Ų | 73 | 10% | 0.101 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | A327 K328 S335 R394 | A327-C331 PolarHBondContact O-N 3.02Å; K328-C331 PolarHBondContact O-N 2.88Å; C331-S335 VanDerWaalsContact O-CB 3.24Å; C331-S335 WeakPolarHBondContact O-CB 3.45Å; C331-S335 PolarHBondContact O-N 2.67Å; C331-S335 PolarHBondContact O-OG 2.82Å; C331-R394 VanDerWaalsContact SG-CB 3.55Å; C331-R394 WeakPolarHBondContact SG-CD 3.17Å |
| 332 | V | 51 | Low | 51.3 | Low | 75 Ų | 75 | 67.5 Ų | 67.5 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | K328 V329 A330 S335 R336 | K328-V332 PolarHBondContact O-N 3.34Å; K328-V332 VanDerWaalsContact O-N 3.15Å; V329-V332 PolarHBondContact O-N 2.93Å; A330-V332 VanDerWaalsContact C-N 3.29Å; A330-V332 PolarHBondContact O-N 3.28Å; V332-S335 PolarHBondContact O-N 3.18Å; V332-R336 WeakPolarHBondContact O-CB 3.17Å; V332-R336 WeakPolarHBondContact O-CG 3.26Å; V332-R336 PolarHBondContact O-N 3.44Å |
| 333 | M | 55.4 | Low | 53.1 | Low | 39 Ų | 39 | 66.6 Ų | 66.6 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 179.8 | -69.4 | -179.3 | -45.8 | 0 | 0 | 112.4 | V329 A330 R336 K337 R543 | V329-M333 HydrophobicContact CB-CE 4.45Å; V329-M333 HydrophobicContact CG1-CE 3.78Å; V329-M333 HydrophobicContact CG1-CG 4.36Å; V329-M333 HydrophobicContact CG1-SD 3.81Å; V329-M333 WeakPolarHBondContact O-CB 3.33Å; V329-M333 WeakPolarHBondContact O-CG 3.11Å; V329-M333 PolarHBondContact O-N 3.42Å; A330-M333 CarbonylContact O-C 3.53Å; A330-M333 PolarHBondContact O-N 3.21Å; A330-M333 VanDerWaalsContact O-N 3.09Å; M333-R336 CarbonylContact O-C 3.35Å; M333-R336 WeakPolarHBondContact O-CB 3.12Å; M333-R336 PolarHBondContact O-N 3.14Å; M333-K337 WeakPolarHBondContact O-CB 3.4Å; M333-K337 PolarHBondContact O-N 2.85Å; M333-R543 VanDerWaalsContact CE-NH2 3.25Å; M333-R543 VanDerWaalsContact SD-CZ 3.58Å; M333-R543 PolarHBondContact SD-NH2 3.4Å |
| 334 | V | 61.3 | Low | 55.2 | Low | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.6 | -35.9 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | A330 R336 K337 L338 P383 E387 I391 | A330-V334 WeakPolarHBondContact O-CB 3.43Å; A330-V334 WeakPolarHBondContact O-CG2 3.47Å; A330-V334 PolarHBondContact O-N 3.36Å; V334-R336 VanDerWaalsContact C-N 3.34Å; V334-R336 PolarHBondContact O-N 2.7Å; V334-K337 CarbonylContact O-C 3.56Å; V334-K337 VanDerWaalsContact O-CB 3.31Å; V334-K337 WeakPolarHBondContact O-CB 3.28Å; V334-K337 PolarHBondContact O-N 3.36Å; V334-L338 WeakPolarHBondContact O-CB 3.24Å; V334-L338 PolarHBondContact O-N 3.47Å; V334-P383 HydrophobicContact CG1-CB 4.3Å; V334-P383 HydrophobicContact CG1-CG 4.47Å; V334-E387 HydrophobicContact CG1-CB 3.85Å; V334-E387 HydrophobicContact CG1-CG 4.41Å; V334-E387 HydrophobicContact CG2-CB 4.15Å; V334-E387 HydrophobicContact CG2-CG 3.83Å; V334-E387 WeakPolarHBondContact CG2-OE1 3.47Å; V334-I391 HydrophobicContact CB-CD1 4.33Å; V334-I391 HydrophobicContact CB-CG1 4.38Å; V334-I391 HydrophobicContact CG1-CD1 3.28Å; V334-I391 HydrophobicContact CG1-CG1 3.75Å |
| 335 | S | 60 | Low | 57.3 | Low | 19 Ų | 19 | 59.7 Ų | 59.7 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 171.1 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | C331 V332 R339 | C331-S335 VanDerWaalsContact O-CB 3.24Å; C331-S335 WeakPolarHBondContact O-CB 3.45Å; C331-S335 PolarHBondContact O-N 2.67Å; C331-S335 PolarHBondContact O-OG 2.82Å; V332-S335 PolarHBondContact O-N 3.18Å; S335-R339 PolarHBondContact O-N 2.96Å; S335-R339 VanDerWaalsContact O-N 3.1Å |
| 336 | R | 63.9 | Low | 59.5 | Low | 136 Ų | 136 | 53.2 Ų | 53.2 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 170.7 | -75.5 | 176.1 | 177.1 | 177.1 | 0.2 | 111.4 | V332 M333 V334 R339 A340 | V332-R336 WeakPolarHBondContact O-CB 3.17Å; V332-R336 WeakPolarHBondContact O-CG 3.26Å; V332-R336 PolarHBondContact O-N 3.44Å; M333-R336 CarbonylContact O-C 3.35Å; M333-R336 WeakPolarHBondContact O-CB 3.12Å; M333-R336 PolarHBondContact O-N 3.14Å; V334-R336 VanDerWaalsContact C-N 3.34Å; V334-R336 PolarHBondContact O-N 2.7Å; R336-R339 PolarHBondContact O-N 2.95Å; R336-A340 PolarHBondContact O-N 3.08Å |
| 337 | K | 68.3 | Low | 61.6 | Low | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 171.8 | -172 | 171.6 | 179.4 | -171.1 | 0 | 111 | M333 V334 R339 A340 L341 L381 L382 P383 W535 | M333-K337 WeakPolarHBondContact O-CB 3.4Å; M333-K337 PolarHBondContact O-N 2.85Å; V334-K337 CarbonylContact O-C 3.56Å; V334-K337 VanDerWaalsContact O-CB 3.31Å; V334-K337 WeakPolarHBondContact O-CB 3.28Å; V334-K337 PolarHBondContact O-N 3.36Å; K337-R339 VanDerWaalsContact C-N 3.34Å; K337-R339 PolarHBondContact O-N 3.02Å; K337-A340 PolarHBondContact O-N 3.49Å; K337-A340 VanDerWaalsContact O-N 3.16Å; K337-L341 HydrophobicContact CG-CD1 3.98Å; K337-L341 HydrophobicContact CG-CG 4.47Å; K337-L341 WeakPolarHBondContact O-CB 3.09Å; K337-L341 WeakPolarHBondContact O-CG 3.42Å; K337-L341 PolarHBondContact O-N 3.47Å; K337-L381 WeakPolarHBondContact CE-O 3.43Å; K337-L381 PolarHBondContact NZ-O 3Å; K337-L382 PolarHBondContact NZ-O 3.33Å; K337-P383 HydrophobicContact CD-CG 4.24Å; K337-P383 HydrophobicContact CG-CG 4.46Å; K337-W535 VanDerWaalsContact CA-CH2 3.44Å; K337-W535 HydrophobicContact CB-CH2 3.45Å; K337-W535 VanDerWaalsContact CB-CH2 3.45Å; K337-W535 HydrophobicContact CB-CZ2 4.09Å; K337-W535 HydrophobicContact CB-CZ3 4.26Å; K337-W535 HydrophobicContact CD-CH2 4.14Å; K337-W535 HydrophobicContact CD-CZ3 4.18Å; K337-W535 HydrophobicContact CG-CH2 3.43Å; K337-W535 VanDerWaalsContact CG-CH2 3.43Å; K337-W535 HydrophobicContact CG-CZ2 4.34Å; K337-W535 HydrophobicContact CG-CZ3 3.74Å |
| 338 | L | 74.6 | Confident | 64.3 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.5 | -172.7 | 63.8 | 0 | 0 | 0 | 112.2 | V334 L341 Q342 I391 I398 T445 C448 F449 I452 | V334-L338 WeakPolarHBondContact O-CB 3.24Å; V334-L338 PolarHBondContact O-N 3.47Å; L338-L341 PolarHBondContact O-N 3.09Å; L338-Q342 PolarHBondContact O-N 2.7Å; L338-I391 HydrophobicContact CD2-CD1 4.26Å; L338-I391 HydrophobicContact CD2-CG2 4.45Å; L338-I398 HydrophobicContact CD2-CD1 3.69Å; L338-T445 HydrophobicContact CD2-CG2 3.58Å; L338-T445 HydrophobicContact CG-CG2 3.8Å; L338-C448 HydrophobicContact CD1-CB 4.32Å; L338-F449 HydrophobicContact CD1-CB 4.31Å; L338-F449 HydrophobicContact CD2-CB 4.31Å; L338-F449 HydrophobicContact CD2-CD2 4.13Å; L338-I452 HydrophobicContact CD1-CD1 3.47Å; L338-I452 VanDerWaalsContact CD1-CD1 3.47Å |
| 339 | R | 70.7 | Confident | 66.8 | Low | 128 Ų | 128 | 41.2 Ų | 41.2 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 173.3 | -78.7 | -176.6 | -72.5 | -161.8 | -2 | 112.6 | S335 R336 K337 Q342 | S335-R339 PolarHBondContact O-N 2.96Å; S335-R339 VanDerWaalsContact O-N 3.1Å; R336-R339 PolarHBondContact O-N 2.95Å; K337-R339 VanDerWaalsContact C-N 3.34Å; K337-R339 PolarHBondContact O-N 3.02Å; R339-Q342 WeakPolarHBondContact O-CG 3.33Å; R339-Q342 PolarHBondContact O-N 2.68Å; R339-Q342 PolarHBondContact O-NE2 3.31Å |
| 340 | A | 66.1 | Low | 69.2 | Low | 21 Ų | 21 | 37.5 Ų | 37.5 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R336 K337 Q342 E343 W535 | R336-A340 PolarHBondContact O-N 3.08Å; K337-A340 PolarHBondContact O-N 3.49Å; K337-A340 VanDerWaalsContact O-N 3.16Å; A340-Q342 VanDerWaalsContact C-N 3.26Å; A340-Q342 PolarHBondContact O-N 2.87Å; A340-E343 WeakPolarHBondContact O-CB 3.3Å; A340-E343 PolarHBondContact O-N 2.82Å; A340-W535 HydrophobicContact CB-CD2 4.22Å; A340-W535 HydrophobicContact CB-CG 4.4Å; A340-W535 HydrophobicContact CB-CZ2 3.73Å |
| 341 | L | 73.4 | Confident | 71.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -32.8 | 175.9 | -69.3 | 169.7 | 0 | 0 | 0 | 112.3 | K337 L338 E343 I344 L347 L382 P383 I452 L532 | K337-L341 HydrophobicContact CG-CD1 3.98Å; K337-L341 HydrophobicContact CG-CG 4.47Å; K337-L341 WeakPolarHBondContact O-CB 3.09Å; K337-L341 WeakPolarHBondContact O-CG 3.42Å; K337-L341 PolarHBondContact O-N 3.47Å; L338-L341 PolarHBondContact O-N 3.09Å; L341-E343 PolarHBondContact O-N 2.71Å; L341-I344 HydrophobicContact CD2-CD1 4.23Å; L341-I344 WeakPolarHBondContact O-CB 3.48Å; L341-I344 PolarHBondContact O-N 3.02Å; L341-L347 HydrophobicContact CB-CD1 4.08Å; L341-L347 HydrophobicContact CD2-CD1 4.14Å; L341-L347 WeakPolarHBondContact O-CD1 2.89Å; L341-L382 HydrophobicContact CD1-CD2 4.29Å; L341-L382 HydrophobicContact CD2-CD2 3.94Å; L341-P383 HydrophobicContact CD1-CG 3.97Å; L341-I452 HydrophobicContact CD1-CD1 3.65Å; L341-L532 HydrophobicContact CD2-CD2 3.32Å |
| 342 | Q | 76.5 | Confident | 73.8 | Confident | 46 Ų | 46 | 35.4 Ų | 35.4 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -31.5 | 177.7 | 100.9 | -161.6 | -18.1 | 0 | 0 | 112.2 | L338 R339 A340 I344 T445 C448 | L338-Q342 PolarHBondContact O-N 2.7Å; R339-Q342 WeakPolarHBondContact O-CG 3.33Å; R339-Q342 PolarHBondContact O-N 2.68Å; R339-Q342 PolarHBondContact O-NE2 3.31Å; A340-Q342 VanDerWaalsContact C-N 3.26Å; A340-Q342 PolarHBondContact O-N 2.87Å; Q342-I344 VanDerWaalsContact C-N 3.28Å; Q342-T445 PolarHBondContact OE1-OG1 3Å; Q342-C448 HydrophobicContact CB-CB 4.01Å |
| 343 | E | 69.6 | Low | 75.4 | Confident | 113 Ų | 113 | 31.9 Ų | 31.9 | 53% | 0.528 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -77.6 | -16.9 | 178 | -54.8 | -58.7 | 140.1 | 0 | 0 | 111.9 | A340 L341 S345 | A340-E343 WeakPolarHBondContact O-CB 3.3Å; A340-E343 PolarHBondContact O-N 2.82Å; L341-E343 PolarHBondContact O-N 2.71Å; E343-S345 PolarHBondContact O-N 3Å |
| 344 | I | 73.8 | Confident | 77 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | trans | -82.6 | 85 | 178.8 | -58.3 | 179.7 | 0 | 0 | 0 | 108.8 | L341 Q342 W346 L347 L528 Q531 L532 | L341-I344 HydrophobicContact CD2-CD1 4.23Å; L341-I344 WeakPolarHBondContact O-CB 3.48Å; L341-I344 PolarHBondContact O-N 3.02Å; Q342-I344 VanDerWaalsContact C-N 3.28Å; I344-W346 HydrophobicContact CG2-CB 4.3Å; I344-W346 PolarHBondContact O-N 3.39Å; I344-L347 HydrophobicContact CB-CD1 4.47Å; I344-L347 HydrophobicContact CB-CG 4.44Å; I344-L347 HydrophobicContact CG2-CG 4.18Å; I344-L347 PolarHBondContact O-N 3.34Å; I344-L528 HydrophobicContact CG2-CD2 3.31Å; I344-Q531 HydrophobicContact CD1-CB 4.47Å; I344-L532 HydrophobicContact CD1-CD2 3.59Å; I344-L532 HydrophobicContact CD1-CG 4.29Å | ||
| 345 | S | 76.3 | Confident | 78.3 | Confident | 51 Ų | 51 | 29.8 Ų | 29.8 | 36% | 0.357 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.9 | -177.8 | 78.2 | 0 | 0 | 0 | 0 | 114.5 | S277 E343 L347 K348 | S277-S345 WeakPolarHBondContact CB-O 3.42Å; S277-S345 WeakPolarHBondContact CB-OG 3.25Å; S277-S345 WeakPolarHBondContact OG-CB 3.18Å; S277-S345 PolarHBondContact OG-O 3.43Å; S277-S345 PolarHBondContact OG-OG 3.42Å; E343-S345 PolarHBondContact O-N 3Å; S345-L347 VanDerWaalsContact C-N 3.34Å; S345-K348 WeakPolarHBondContact O-CE 3.4Å; S345-K348 WeakPolarHBondContact O-CG 3.3Å |
| 346 | W | 82.4 | Confident | 79.5 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 6% | 0.064 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -18.2 | 178.1 | -66.6 | 102.7 | 0 | 0 | 0 | 113.8 | F259 L262 I280 I344 K348 V349 L350 V524 I527 L528 | F259-W346 AromaticContact CE1-CH2 3.97Å; F259-W346 HydrophobicContact CE1-CH2 3.97Å; F259-W346 HydrophobicContact CE1-CZ3 4.03Å; F259-W346 HydrophobicContact CZ-CH2 4.48Å; F259-W346 HydrophobicContact CZ-CZ3 4.36Å; L262-W346 HydrophobicContact CD1-CH2 4.12Å; L262-W346 HydrophobicContact CD1-CZ2 3.82Å; I280-W346 HydrophobicContact CB-CZ3 4.06Å; I280-W346 HydrophobicContact CG1-CH2 3.75Å; I280-W346 HydrophobicContact CG1-CZ3 3.68Å; I280-W346 HydrophobicContact CG2-CZ3 4.27Å; I344-W346 HydrophobicContact CG2-CB 4.3Å; I344-W346 PolarHBondContact O-N 3.39Å; W346-K348 VanDerWaalsContact C-N 3.27Å; W346-K348 PolarHBondContact O-N 3.37Å; W346-V349 HydrophobicContact CE3-CB 4.41Å; W346-V349 HydrophobicContact CE3-CG2 3.85Å; W346-V349 HydrophobicContact CZ3-CG2 4.34Å; W346-V349 WeakPolarHBondContact O-CB 3.36Å; W346-V349 PolarHBondContact O-N 3.3Å; W346-L350 PolarHBondContact O-N 3.17Å; W346-L350 VanDerWaalsContact O-N 3.16Å; W346-V524 HydrophobicContact CE3-CG2 4.1Å; W346-V524 HydrophobicContact CZ3-CG2 4.19Å; W346-I527 HydrophobicContact CD2-CD1 4.08Å; W346-I527 HydrophobicContact CD2-CG2 4.32Å; W346-I527 HydrophobicContact CE3-CD1 4.41Å; W346-I527 HydrophobicContact CG-CG2 3.97Å; W346-I527 HydrophobicContact CH2-CD1 4.01Å; W346-I527 HydrophobicContact CZ2-CD1 3.65Å; W346-I527 HydrophobicContact CZ3-CD1 4.37Å; W346-L528 HydrophobicContact CB-CD1 4.32Å; W346-L528 HydrophobicContact CB-CD2 3.41Å; W346-L528 VanDerWaalsContact CB-CD2 3.41Å; W346-L528 HydrophobicContact CB-CG 3.74Å |
| 347 | L | 85 | Confident | 80.4 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -34.8 | 179.4 | -70.4 | 174.8 | 0 | 0 | 0 | 112.6 | L341 I344 S345 L350 K351 L382 L455 L528 | L341-L347 HydrophobicContact CB-CD1 4.08Å; L341-L347 HydrophobicContact CD2-CD1 4.14Å; L341-L347 WeakPolarHBondContact O-CD1 2.89Å; I344-L347 HydrophobicContact CB-CD1 4.47Å; I344-L347 HydrophobicContact CB-CG 4.44Å; I344-L347 HydrophobicContact CG2-CG 4.18Å; I344-L347 PolarHBondContact O-N 3.34Å; S345-L347 VanDerWaalsContact C-N 3.34Å; L347-L350 PolarHBondContact O-N 3.06Å; L347-K351 WeakPolarHBondContact O-CB 3.3Å; L347-K351 PolarHBondContact O-N 3.31Å; L347-L382 HydrophobicContact CD2-CD2 4.26Å; L347-L455 HydrophobicContact CD2-CD1 3.92Å; L347-L528 HydrophobicContact CD2-CD1 4.42Å; L347-L528 HydrophobicContact CD2-CD2 3.85Å; L347-L528 HydrophobicContact CG-CD2 4.09Å |
| 348 | K | 88.5 | Confident | 81.2 | Confident | 31 Ų | 31 | 24.7 Ų | 24.7 | 14% | 0.135 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.3 | -33.1 | 174.5 | 52.4 | 167.9 | -169.7 | -167.8 | 0 | 112.7 | S277 N278 I281 S345 W346 K351 V352 E421 | S277-K348 WeakPolarHBondContact OG-CE 3.16Å; S277-K348 PolarHBondContact OG-NZ 3.41Å; N278-K348 PolarHBondContact OD1-NZ 3Å; I281-K348 HydrophobicContact CD1-CB 4.28Å; I281-K348 HydrophobicContact CD1-CD 3.68Å; I281-K348 HydrophobicContact CD1-CG 3.9Å; S345-K348 WeakPolarHBondContact O-CE 3.4Å; S345-K348 WeakPolarHBondContact O-CG 3.3Å; W346-K348 VanDerWaalsContact C-N 3.27Å; W346-K348 PolarHBondContact O-N 3.37Å; K348-K351 PolarHBondContact O-N 3.19Å; K348-V352 WeakPolarHBondContact O-CG2 3.42Å; K348-V352 PolarHBondContact O-N 2.92Å; K348-E421 HydrophobicContact CB-CB 3.94Å; K348-E421 VanDerWaalsContact CB-CD 3.48Å; K348-E421 HydrophobicContact CB-CG 3.8Å |
| 349 | V | 85 | Confident | 81.5 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 109 | I280 I281 W346 K351 V352 I353 V524 | I280-V349 HydrophobicContact CB-CG1 4.4Å; I280-V349 HydrophobicContact CG2-CG1 3.63Å; I281-V349 HydrophobicContact CD1-CG2 4.39Å; I281-V349 HydrophobicContact CG1-CB 4.46Å; I281-V349 HydrophobicContact CG1-CG2 4.08Å; W346-V349 HydrophobicContact CE3-CB 4.41Å; W346-V349 HydrophobicContact CE3-CG2 3.85Å; W346-V349 HydrophobicContact CZ3-CG2 4.34Å; W346-V349 WeakPolarHBondContact O-CB 3.36Å; W346-V349 PolarHBondContact O-N 3.3Å; V349-K351 VanDerWaalsContact C-N 3.32Å; V349-K351 PolarHBondContact O-N 3.49Å; V349-V352 PolarHBondContact O-N 3.18Å; V349-I353 HydrophobicContact CG1-CD1 4.06Å; V349-I353 WeakPolarHBondContact O-CG1 3.34Å; V349-I353 PolarHBondContact O-N 3.47Å; V349-V524 HydrophobicContact CB-CG1 4.29Å; V349-V524 HydrophobicContact CG1-CG1 4.29Å; V349-V524 HydrophobicContact CG1-CG2 3.82Å |
| 350 | L | 88.5 | Confident | 81.9 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.9 | -177.8 | 65 | 0 | 0 | 0 | 112 | W346 L347 V352 I353 C354 L378 L455 V524 L525 L528 | W346-L350 PolarHBondContact O-N 3.17Å; W346-L350 VanDerWaalsContact O-N 3.16Å; L347-L350 PolarHBondContact O-N 3.06Å; L350-V352 PolarHBondContact O-N 2.73Å; L350-I353 PolarHBondContact O-N 2.82Å; L350-C354 PolarHBondContact O-N 2.95Å; L350-C354 PolarHBondContact O-SG 2.9Å; L350-L378 HydrophobicContact CD2-CD2 3.2Å; L350-L378 HydrophobicContact CD2-CG 4.47Å; L350-L455 HydrophobicContact CB-CD2 4.38Å; L350-L455 HydrophobicContact CD2-CD1 4.34Å; L350-L455 HydrophobicContact CD2-CD2 3.85Å; L350-L455 HydrophobicContact CG-CD2 3.81Å; L350-V524 HydrophobicContact CB-CG1 4.17Å; L350-L525 HydrophobicContact CD1-CD2 3.68Å; L350-L525 HydrophobicContact CD1-CG 4.38Å; L350-L525 HydrophobicContact CD2-CD2 4.12Å; L350-L528 HydrophobicContact CB-CD1 3.85Å; L350-L528 HydrophobicContact CD2-CD1 3.81Å; L350-L528 HydrophobicContact CG-CD1 4.41Å |
| 351 | K | 92 | Very high | 82.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 175.5 | -166.9 | -78.4 | -176 | -157.5 | 0 | 111.5 | L347 K348 V349 I353 C354 N355 E421 D422 R451 C454 L455 Y458 | L347-K351 WeakPolarHBondContact O-CB 3.3Å; L347-K351 PolarHBondContact O-N 3.31Å; K348-K351 PolarHBondContact O-N 3.19Å; V349-K351 VanDerWaalsContact C-N 3.32Å; V349-K351 PolarHBondContact O-N 3.49Å; K351-I353 VanDerWaalsContact C-N 3.35Å; K351-I353 PolarHBondContact O-N 3.37Å; K351-C354 PolarHBondContact O-N 3.4Å; K351-N355 WeakPolarHBondContact CD-ND2 3.13Å; K351-N355 PolarHBondContact NZ-ND2 3.49Å; K351-N355 PolarHBondContact NZ-OD1 3.32Å; K351-N355 PolarHBondContact O-N 3.37Å; K351-E421 HydrophobicContact CD-CG 4.37Å; K351-D422 WeakPolarHBondContact CE-OD1 3.27Å; K351-D422 VanDerWaalsContact NZ-CG 3.31Å; K351-D422 IonicContact NZ-OD1 3.09Å; K351-D422 PolarHBondContact NZ-OD1 2.77Å; K351-D422 IonicContact NZ-OD2 3.83Å; K351-D422 PolarHBondContact NZ-OD2 3.42Å; K351-R451 HydrophobicContact CG-CG 4.41Å; K351-C454 HydrophobicContact CG-CB 4.17Å; K351-L455 HydrophobicContact CB-CD2 4.44Å; K351-Y458 HydrophobicContact CG-CE2 4.44Å; K351-Y458 PolarHBondContact NZ-OH 3.41Å |
| 352 | V | 86.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 178 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | I281 V284 M288 K348 V349 L350 N355 W356 E421 V425 | I281-V352 HydrophobicContact CD1-CG2 4.5Å; I281-V352 HydrophobicContact CG1-CG2 4.42Å; V284-V352 HydrophobicContact CG1-CG1 4.49Å; M288-V352 HydrophobicContact CE-CG1 4.42Å; K348-V352 WeakPolarHBondContact O-CG2 3.42Å; K348-V352 PolarHBondContact O-N 2.92Å; V349-V352 PolarHBondContact O-N 3.18Å; L350-V352 PolarHBondContact O-N 2.73Å; V352-N355 WeakPolarHBondContact O-CB 3.49Å; V352-N355 PolarHBondContact O-N 3.43Å; V352-W356 PolarHBondContact O-N 3.24Å; V352-E421 HydrophobicContact CG2-CB 3.86Å; V352-E421 HydrophobicContact CG2-CG 3.95Å; V352-V425 HydrophobicContact CG1-CG1 3.98Å; V352-V425 HydrophobicContact CG1-CG2 4.21Å; V352-V425 HydrophobicContact CG2-CG1 4.4Å; V352-V425 HydrophobicContact CG2-CG2 4.18Å |
| 353 | I | 84.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 174.5 | -75.8 | 169.1 | 0 | 0 | 0 | 111 | V284 V349 L350 K351 N355 W356 L357 V520 I521 | V284-I353 HydrophobicContact CG1-CG1 4.23Å; V349-I353 HydrophobicContact CG1-CD1 4.06Å; V349-I353 WeakPolarHBondContact O-CG1 3.34Å; V349-I353 PolarHBondContact O-N 3.47Å; L350-I353 PolarHBondContact O-N 2.82Å; K351-I353 VanDerWaalsContact C-N 3.35Å; K351-I353 PolarHBondContact O-N 3.37Å; I353-N355 VanDerWaalsContact C-N 3.34Å; I353-N355 PolarHBondContact O-N 3.35Å; I353-W356 PolarHBondContact O-N 2.77Å; I353-W356 VanDerWaalsContact O-N 3.13Å; I353-L357 HydrophobicContact CG2-CD1 3.78Å; I353-L357 HydrophobicContact CG2-CG 4.26Å; I353-L357 WeakPolarHBondContact O-CG 3.11Å; I353-L357 PolarHBondContact O-N 2.79Å; I353-V520 HydrophobicContact CD1-CG1 4.4Å; I353-I521 HydrophobicContact CD1-CG1 4.02Å; I353-I521 HydrophobicContact CG1-CG1 4.44Å; I353-I521 HydrophobicContact CG2-CD1 3.87Å; I353-I521 HydrophobicContact CG2-CG1 3.54Å |
| 354 | C | 89.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | -178.9 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | L350 K351 W356 L357 Q358 Y458 F462 | L350-C354 PolarHBondContact O-N 2.95Å; L350-C354 PolarHBondContact O-SG 2.9Å; K351-C354 PolarHBondContact O-N 3.4Å; C354-W356 VanDerWaalsContact C-N 3.28Å; C354-W356 PolarHBondContact O-N 2.81Å; C354-L357 PolarHBondContact O-N 3.48Å; C354-Q358 WeakPolarHBondContact O-CB 3.49Å; C354-Q358 PolarHBondContact O-N 2.87Å; C354-Y458 HydrophobicContact CB-CD1 4.25Å; C354-Y458 HydrophobicContact CB-CD2 3.27Å; C354-Y458 HydrophobicContact CB-CE2 3.67Å; C354-Y458 HydrophobicContact CB-CG 3.65Å; C354-F462 HydrophobicContact CB-CE2 4.36Å; C354-F462 HydrophobicContact CB-CZ 4.18Å |
| 355 | N | 88.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.1 | -48.2 | 171.1 | -81.4 | -35.6 | 0 | 0 | 0 | 111 | K351 V352 I353 Q358 L359 D422 L429 L431 Y458 | K351-N355 WeakPolarHBondContact CD-ND2 3.13Å; K351-N355 PolarHBondContact NZ-ND2 3.49Å; K351-N355 PolarHBondContact NZ-OD1 3.32Å; K351-N355 PolarHBondContact O-N 3.37Å; V352-N355 WeakPolarHBondContact O-CB 3.49Å; V352-N355 PolarHBondContact O-N 3.43Å; I353-N355 VanDerWaalsContact C-N 3.34Å; I353-N355 PolarHBondContact O-N 3.35Å; N355-Q358 PolarHBondContact O-N 3.38Å; N355-L359 WeakPolarHBondContact O-CG 3.39Å; N355-L359 PolarHBondContact O-N 2.8Å; N355-D422 PolarHBondContact ND2-OD1 3.1Å; N355-L429 HydrophobicContact CB-CD1 3.46Å; N355-L429 VanDerWaalsContact CB-CD1 3.46Å; N355-L431 HydrophobicContact CB-CD1 3.82Å; N355-L431 WeakPolarHBondContact OD1-CD1 3.24Å; N355-Y458 PolarHBondContact OD1-OH 2.81Å |
| 356 | W | 84.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -46.3 | -178.4 | -178.4 | 78.1 | 0 | 0 | 0 | 111.9 | M288 I291 V352 I353 C354 Q358 L359 H360 E363 L429 I517 | M288-W356 HydrophobicContact CE-CB 3.33Å; M288-W356 HydrophobicContact CE-CD2 3.86Å; M288-W356 HydrophobicContact CE-CE3 4.34Å; M288-W356 HydrophobicContact CE-CG 3.41Å; M288-W356 VanDerWaalsContact CE-CG 3.41Å; M288-W356 HydrophobicContact CG-CD2 4.19Å; M288-W356 HydrophobicContact CG-CG 3.99Å; M288-W356 HydrophobicContact SD-CB 4.06Å; M288-W356 HydrophobicContact SD-CG 3.89Å; I291-W356 HydrophobicContact CD1-CH2 4.13Å; I291-W356 HydrophobicContact CD1-CZ2 3.8Å; V352-W356 PolarHBondContact O-N 3.24Å; I353-W356 PolarHBondContact O-N 2.77Å; I353-W356 VanDerWaalsContact O-N 3.13Å; C354-W356 VanDerWaalsContact C-N 3.28Å; C354-W356 PolarHBondContact O-N 2.81Å; W356-Q358 PolarHBondContact O-N 2.75Å; W356-L359 CarbonylContact O-C 3.46Å; W356-L359 WeakPolarHBondContact O-CA 3.31Å; W356-L359 WeakPolarHBondContact O-CB 3.29Å; W356-L359 PolarHBondContact O-N 3.21Å; W356-H360 AromaticContact CD1-CD2 3.31Å; W356-H360 AromaticContact CD1-NE2 3.56Å; W356-H360 AromaticContact CD2-CD2 3.81Å; W356-H360 AromaticContact CE2-CD2 3.42Å; W356-H360 VanDerWaalsContact CE2-CD2 3.42Å; W356-H360 AromaticContact CE2-CG 3.95Å; W356-H360 AromaticContact CE2-NE2 3.89Å; W356-H360 AromaticContact CG-CD2 3.76Å; W356-H360 AromaticContact NE1-CD2 3.06Å; W356-H360 PolarHBondContact NE1-CD2 3.16Å; W356-H360 AromaticContact NE1-CG 3.96Å; W356-H360 AromaticContact NE1-NE2 3.14Å; W356-H360 PolarHBondContact NE1-NE2 3.46Å; W356-H360 VanDerWaalsContact NE1-NE2 3.14Å; W356-H360 PolarHBondContact O-CD2 3.42Å; W356-H360 VanDerWaalsContact O-CD2 3.24Å; W356-H360 PolarHBondContact O-N 2.96Å; W356-E363 HydrophobicContact CH2-CB 3.92Å; W356-E363 HydrophobicContact CH2-CG 3.49Å; W356-E363 VanDerWaalsContact CH2-CG 3.49Å; W356-E363 HydrophobicContact CZ2-CG 4.15Å; W356-E363 HydrophobicContact CZ3-CB 3.84Å; W356-E363 HydrophobicContact CZ3-CG 3.97Å; W356-L429 HydrophobicContact CB-CD2 3.73Å; W356-L429 HydrophobicContact CG-CD2 4.1Å; W356-I517 HydrophobicContact CE3-CG2 4.35Å; W356-I517 HydrophobicContact CH2-CD1 3.68Å; W356-I517 HydrophobicContact CH2-CG2 4.44Å; W356-I517 HydrophobicContact CZ2-CD1 3.98Å; W356-I517 HydrophobicContact CZ3-CD1 4.07Å; W356-I517 HydrophobicContact CZ3-CG2 3.86Å |
| 357 | L | 84.2 | Confident | 82.1 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.6 | -32.7 | 176.7 | -72.1 | 174.7 | 0 | 0 | 0 | 112.9 | I353 C354 L359 H360 E363 L364 M367 F462 I521 | I353-L357 HydrophobicContact CG2-CD1 3.78Å; I353-L357 HydrophobicContact CG2-CG 4.26Å; I353-L357 WeakPolarHBondContact O-CG 3.11Å; I353-L357 PolarHBondContact O-N 2.79Å; C354-L357 PolarHBondContact O-N 3.48Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.77Å; L357-H360 CarbonylContact O-C 3.6Å; L357-H360 PolarHBondContact O-N 2.9Å; L357-E363 HydrophobicContact CD2-CB 4.13Å; L357-L364 HydrophobicContact CB-CD1 3.95Å; L357-L364 HydrophobicContact CD1-CD1 4.46Å; L357-M367 HydrophobicContact CD1-SD 3.67Å; L357-M367 HydrophobicContact CD2-SD 4.33Å; L357-F462 HydrophobicContact CB-CZ 4.18Å; L357-I521 HydrophobicContact CD1-CD1 4.13Å; L357-I521 HydrophobicContact CD2-CD1 4.25Å |
| 358 | Q | 84.4 | Confident | 81.2 | Confident | 70 Ų | 70 | 26.4 Ų | 26.4 | 33% | 0.327 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.2 | -34.7 | 173.2 | -178.6 | -180 | 18 | 0 | 0 | 112.5 | C354 N355 W356 Y458 E461 F462 | C354-Q358 WeakPolarHBondContact O-CB 3.49Å; C354-Q358 PolarHBondContact O-N 2.87Å; N355-Q358 PolarHBondContact O-N 3.38Å; W356-Q358 PolarHBondContact O-N 2.75Å; Q358-Y458 VanDerWaalsContact OE1-CE1 3.3Å; Q358-E461 VanDerWaalsContact CD-OE2 3.24Å; Q358-E461 PolarHBondContact NE2-OE1 3.44Å; Q358-E461 PolarHBondContact NE2-OE2 3.22Å; Q358-F462 HydrophobicContact CB-CE1 4.37Å |
| 359 | L | 81.1 | Confident | 80.5 | Confident | 77 Ų | 77 | 26.7 Ų | 26.7 | 40% | 0.403 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -82.4 | -16.9 | 178.7 | -61.2 | 172.2 | 0 | 0 | 0 | 112.9 | N355 W356 L357 P361 L429 L431 | N355-L359 WeakPolarHBondContact O-CG 3.39Å; N355-L359 PolarHBondContact O-N 2.8Å; W356-L359 CarbonylContact O-C 3.46Å; W356-L359 WeakPolarHBondContact O-CA 3.31Å; W356-L359 WeakPolarHBondContact O-CB 3.29Å; W356-L359 PolarHBondContact O-N 3.21Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.77Å; L359-P361 WeakPolarHBondContact O-CD 3.47Å; L359-L429 HydrophobicContact CD1-CB 4.04Å; L359-L429 HydrophobicContact CD1-CD2 4.4Å; L359-L429 WeakPolarHBondContact CD1-O 3.13Å; L359-L431 HydrophobicContact CD1-CD2 3.86Å; L359-L431 HydrophobicContact CD1-CG 4.45Å; L359-L431 HydrophobicContact CD2-CD2 4.12Å; L359-L431 HydrophobicContact CG-CD2 4.17Å |
| 360 | H | 78.6 | Confident | 79.8 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 13% | 0.125 | 14% | 0.138 | C | C | . | . | trans | -124.5 | 73.4 | -176.2 | -67.1 | -77.8 | 0 | 0 | 0 | 112.1 | W356 L357 E362 E363 L364 | W356-H360 AromaticContact CD1-CD2 3.31Å; W356-H360 AromaticContact CD1-NE2 3.56Å; W356-H360 AromaticContact CD2-CD2 3.81Å; W356-H360 AromaticContact CE2-CD2 3.42Å; W356-H360 VanDerWaalsContact CE2-CD2 3.42Å; W356-H360 AromaticContact CE2-CG 3.95Å; W356-H360 AromaticContact CE2-NE2 3.89Å; W356-H360 AromaticContact CG-CD2 3.76Å; W356-H360 AromaticContact NE1-CD2 3.06Å; W356-H360 PolarHBondContact NE1-CD2 3.16Å; W356-H360 AromaticContact NE1-CG 3.96Å; W356-H360 AromaticContact NE1-NE2 3.14Å; W356-H360 PolarHBondContact NE1-NE2 3.46Å; W356-H360 VanDerWaalsContact NE1-NE2 3.14Å; W356-H360 PolarHBondContact O-CD2 3.42Å; W356-H360 VanDerWaalsContact O-CD2 3.24Å; W356-H360 PolarHBondContact O-N 2.96Å; L357-H360 CarbonylContact O-C 3.6Å; L357-H360 PolarHBondContact O-N 2.9Å; H360-E362 WeakPolarHBondContact CA-OE1 3.31Å; H360-E362 VanDerWaalsContact CB-OE1 3.3Å; H360-E362 WeakPolarHBondContact CB-OE1 3.36Å; H360-E362 IonicContact CG-OE1 3.5Å; H360-E362 IonicContact ND1-OE1 3.47Å; H360-E362 PolarHBondContact ND1-OE1 3.31Å; H360-E362 PolarHBondContact O-N 2.97Å; H360-E362 VanDerWaalsContact O-N 3.1Å; H360-E363 HydrophobicContact CB-CB 4.05Å; H360-E363 HydrophobicContact CB-CG 3.86Å; H360-E363 WeakPolarHBondContact O-CB 3.06Å; H360-E363 PolarHBondContact O-N 2.96Å; H360-L364 PolarHBondContact O-N 3.39Å | ||
| 361 | P | 78 | Confident | 79 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 33% | 0.325 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.6 | -23.7 | -177.3 | -23.9 | 33.9 | 0 | 0 | 0 | 114.9 | L359 R365 | L359-P361 WeakPolarHBondContact O-CD 3.47Å; P361-R365 WeakPolarHBondContact O-CB 3.42Å; P361-R365 PolarHBondContact O-N 3.46Å |
| 362 | E | 74.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 27.1 Ų | 27.1 | 29% | 0.285 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 173.7 | 64.3 | -69.5 | 169.9 | 0 | 0 | 112.4 | H306 H360 R365 A366 | H306-E362 WeakPolarHBondContact CE1-CG 3.29Å; H360-E362 WeakPolarHBondContact CA-OE1 3.31Å; H360-E362 VanDerWaalsContact CB-OE1 3.3Å; H360-E362 WeakPolarHBondContact CB-OE1 3.36Å; H360-E362 IonicContact CG-OE1 3.5Å; H360-E362 IonicContact ND1-OE1 3.47Å; H360-E362 PolarHBondContact ND1-OE1 3.31Å; H360-E362 PolarHBondContact O-N 2.97Å; H360-E362 VanDerWaalsContact O-N 3.1Å; E362-R365 WeakPolarHBondContact O-CB 3.33Å; E362-R365 PolarHBondContact O-N 3.29Å; E362-A366 PolarHBondContact O-N 2.95Å; E362-A366 VanDerWaalsContact O-N 3.12Å |
| 363 | E | 73.3 | Confident | 77.9 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.8 | -38.9 | 176 | -58.6 | -59.3 | 143.4 | 0 | 0 | 110.5 | S305 H306 W356 L357 H360 R365 A366 M367 | S305-E363 WeakPolarHBondContact CB-OE1 3.39Å; S305-E363 VanDerWaalsContact O-OE2 3.06Å; S305-E363 PolarHBondContact OG-OE1 3.48Å; H306-E363 IonicContact CE1-OE1 3.2Å; H306-E363 PolarHBondContact CE1-OE1 2.79Å; H306-E363 IonicContact ND1-OE1 3.21Å; H306-E363 PolarHBondContact ND1-OE1 2.97Å; W356-E363 HydrophobicContact CH2-CB 3.92Å; W356-E363 HydrophobicContact CH2-CG 3.49Å; W356-E363 VanDerWaalsContact CH2-CG 3.49Å; W356-E363 HydrophobicContact CZ2-CG 4.15Å; W356-E363 HydrophobicContact CZ3-CB 3.84Å; W356-E363 HydrophobicContact CZ3-CG 3.97Å; L357-E363 HydrophobicContact CD2-CB 4.13Å; H360-E363 HydrophobicContact CB-CB 4.05Å; H360-E363 HydrophobicContact CB-CG 3.86Å; H360-E363 WeakPolarHBondContact O-CB 3.06Å; H360-E363 PolarHBondContact O-N 2.96Å; E363-R365 PolarHBondContact O-N 2.87Å; E363-A366 PolarHBondContact O-N 2.85Å; E363-A366 VanDerWaalsContact O-N 3.15Å; E363-M367 PolarHBondContact O-N 2.98Å |
| 364 | L | 76.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -40 | 170.6 | -167.2 | 72.3 | 0 | 0 | 0 | 111.5 | L357 H360 M367 W372 F462 F467 | L357-L364 HydrophobicContact CB-CD1 3.95Å; L357-L364 HydrophobicContact CD1-CD1 4.46Å; H360-L364 PolarHBondContact O-N 3.39Å; L364-M367 PolarHBondContact O-N 3.11Å; L364-W372 HydrophobicContact CD1-CH2 3.52Å; L364-W372 HydrophobicContact CD1-CZ2 3.9Å; L364-W372 HydrophobicContact CG-CH2 4.08Å; L364-W372 HydrophobicContact CG-CZ2 4.09Å; L364-F462 HydrophobicContact CD1-CD1 3.77Å; L364-F462 HydrophobicContact CD1-CD2 4.36Å; L364-F462 HydrophobicContact CD1-CE1 3.67Å; L364-F462 HydrophobicContact CD1-CE2 4.27Å; L364-F462 HydrophobicContact CD1-CG 4.13Å; L364-F462 HydrophobicContact CD1-CZ 3.93Å; L364-F462 HydrophobicContact CD2-CD1 3.82Å; L364-F462 HydrophobicContact CD2-CE1 4.16Å; L364-F462 HydrophobicContact CG-CD1 4.49Å; L364-F467 HydrophobicContact CB-CE2 4.32Å; L364-F467 HydrophobicContact CB-CZ 4.29Å; L364-F467 HydrophobicContact CD2-CE2 4.18Å; L364-F467 HydrophobicContact CD2-CZ 3.88Å; L364-F467 HydrophobicContact CG-CE2 3.96Å; L364-F467 HydrophobicContact CG-CZ 4.09Å |
| 365 | R | 76.7 | Confident | 77.2 | Confident | 150 Ų | 150 | 32.6 Ų | 32.6 | 57% | 0.566 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -71.5 | -31.1 | 178.6 | -171.9 | -177.1 | -61.3 | 116 | 2.5 | 112.7 | P361 E362 E363 M367 F467 | P361-R365 WeakPolarHBondContact O-CB 3.42Å; P361-R365 PolarHBondContact O-N 3.46Å; E362-R365 WeakPolarHBondContact O-CB 3.33Å; E362-R365 PolarHBondContact O-N 3.29Å; E363-R365 PolarHBondContact O-N 2.87Å; R365-M367 PolarHBondContact O-N 2.88Å; R365-F467 VanDerWaalsContact CA-CE2 3.48Å; R365-F467 HydrophobicContact CB-CD2 4.14Å; R365-F467 HydrophobicContact CB-CE2 3.91Å; R365-F467 HydrophobicContact CB-CZ 4.09Å; R365-F467 HydrophobicContact CG-CD2 4.15Å; R365-F467 HydrophobicContact CG-CE2 4.41Å; R365-F467 HydrophobicContact CG-CG 4.24Å |
| 366 | A | 69.9 | Low | 77 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 20% | 0.198 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.4 | -18.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L308 E362 E363 G368 | L308-A366 WeakPolarHBondContact CB-O 3.28Å; E362-A366 PolarHBondContact O-N 2.95Å; E362-A366 VanDerWaalsContact O-N 3.12Å; E363-A366 PolarHBondContact O-N 2.85Å; E363-A366 VanDerWaalsContact O-N 3.15Å; A366-G368 PolarHBondContact O-N 3.09Å |
| 367 | M | 72.3 | Confident | 76.8 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | trans | -57.9 | 126.4 | 180 | -72.9 | -168.8 | 61 | 0 | 0 | 113.1 | L357 E363 L364 R365 W372 I521 | L357-M367 HydrophobicContact CD1-SD 3.67Å; L357-M367 HydrophobicContact CD2-SD 4.33Å; E363-M367 PolarHBondContact O-N 2.98Å; L364-M367 PolarHBondContact O-N 3.11Å; R365-M367 PolarHBondContact O-N 2.88Å; M367-W372 HydrophobicContact CB-CZ2 4.07Å; M367-W372 PolarHBondContact O-NE1 2.86Å; M367-W372 HydrophobicContact SD-CH2 4.27Å; M367-W372 HydrophobicContact SD-CZ2 3.99Å; M367-I521 HydrophobicContact CE-CG2 4.02Å | ||
| 368 | G | 67.7 | Low | 76.8 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | trans | -68 | 154.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A366 G370 S371 W372 | A366-G368 PolarHBondContact O-N 3.09Å; G368-G370 VanDerWaalsContact C-N 3.26Å; G368-G370 PolarHBondContact O-N 2.88Å; G368-S371 WeakPolarHBondContact O-CB 3.39Å; G368-S371 PolarHBondContact O-N 2.77Å; G368-W372 PolarHBondContact O-N 3.15Å | ||
| 369 | A | 72.5 | Confident | 76.9 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.6 | -37 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S371 W372 A373 | A369-S371 VanDerWaalsContact C-N 3.32Å; A369-S371 PolarHBondContact O-N 2.81Å; A369-W372 WeakPolarHBondContact O-CB 3.32Å; A369-W372 PolarHBondContact O-N 3.48Å; A369-A373 PolarHBondContact O-N 2.89Å |
| 370 | G | 70.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G368 A373 R374 | G368-G370 VanDerWaalsContact C-N 3.26Å; G368-G370 PolarHBondContact O-N 2.88Å; G370-A373 PolarHBondContact O-N 3.13Å; G370-R374 WeakPolarHBondContact O-CG 3.13Å; G370-R374 PolarHBondContact O-N 3.29Å |
| 371 | S | 72.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 174.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | G368 A369 R374 F375 E522 | G368-S371 WeakPolarHBondContact O-CB 3.39Å; G368-S371 PolarHBondContact O-N 2.77Å; A369-S371 VanDerWaalsContact C-N 3.32Å; A369-S371 PolarHBondContact O-N 2.81Å; S371-R374 PolarHBondContact O-N 3.28Å; S371-F375 WeakPolarHBondContact O-CB 3.39Å; S371-F375 PolarHBondContact O-N 3.38Å; S371-E522 VanDerWaalsContact OG-CG 3.25Å; S371-E522 WeakPolarHBondContact OG-CG 3.47Å; S371-E522 PolarHBondContact OG-OE1 3.43Å |
| 372 | W | 80 | Confident | 77.6 | Confident | 9 Ų | 9 | 27 Ų | 27 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 173.8 | -70.4 | 116.2 | 0 | 0 | 0 | 112.7 | L364 M367 G368 A369 R374 F375 V376 F462 T468 L470 | L364-W372 HydrophobicContact CD1-CH2 3.52Å; L364-W372 HydrophobicContact CD1-CZ2 3.9Å; L364-W372 HydrophobicContact CG-CH2 4.08Å; L364-W372 HydrophobicContact CG-CZ2 4.09Å; M367-W372 HydrophobicContact CB-CZ2 4.07Å; M367-W372 PolarHBondContact O-NE1 2.86Å; M367-W372 HydrophobicContact SD-CH2 4.27Å; M367-W372 HydrophobicContact SD-CZ2 3.99Å; G368-W372 PolarHBondContact O-N 3.15Å; A369-W372 WeakPolarHBondContact O-CB 3.32Å; A369-W372 PolarHBondContact O-N 3.48Å; W372-R374 VanDerWaalsContact C-N 3.33Å; W372-R374 PolarHBondContact O-N 2.71Å; W372-F375 HydrophobicContact CE3-CD1 4.28Å; W372-F375 HydrophobicContact CZ3-CD1 4.23Å; W372-F375 PolarHBondContact O-N 3.22Å; W372-V376 WeakPolarHBondContact O-CB 3.43Å; W372-V376 VanDerWaalsContact O-CG2 3.27Å; W372-V376 WeakPolarHBondContact O-CG2 3.38Å; W372-V376 PolarHBondContact O-N 2.94Å; W372-F462 HydrophobicContact CH2-CB 4.11Å; W372-F462 HydrophobicContact CH2-CD2 4.03Å; W372-F462 HydrophobicContact CH2-CG 4.13Å; W372-F462 HydrophobicContact CZ3-CB 4.07Å; W372-F462 AromaticContact CZ3-CD2 3.86Å; W372-F462 HydrophobicContact CZ3-CD2 3.86Å; W372-F462 HydrophobicContact CZ3-CG 4.24Å; W372-T468 HydrophobicContact CH2-CG2 3.64Å; W372-T468 HydrophobicContact CZ2-CG2 3.55Å; W372-T468 HydrophobicContact CZ3-CG2 4.3Å; W372-L470 HydrophobicContact CE3-CD1 3.73Å; W372-L470 HydrophobicContact CE3-CD2 4.35Å; W372-L470 HydrophobicContact CE3-CG 4.22Å; W372-L470 HydrophobicContact CZ3-CD1 3.75Å |
| 373 | A | 76.4 | Confident | 78.1 | Confident | 32 Ų | 32 | 24 Ų | 24 | 26% | 0.264 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N313 A369 G370 V376 S377 | N313-A373 VanDerWaalsContact OD1-CB 3.23Å; N313-A373 WeakPolarHBondContact OD1-CB 3.38Å; A369-A373 PolarHBondContact O-N 2.89Å; G370-A373 PolarHBondContact O-N 3.13Å; A373-V376 PolarHBondContact O-N 2.92Å; A373-S377 WeakPolarHBondContact O-CB 3.22Å; A373-S377 PolarHBondContact O-N 3.4Å |
| 374 | R | 75.9 | Confident | 78.7 | Confident | 79 Ų | 79 | 25.1 Ų | 25.1 | 30% | 0.298 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 174.8 | -70.8 | -177.7 | -172.6 | 110.8 | 2.6 | 112.2 | G370 S371 W372 V376 S377 L378 L525 | G370-R374 WeakPolarHBondContact O-CG 3.13Å; G370-R374 PolarHBondContact O-N 3.29Å; S371-R374 PolarHBondContact O-N 3.28Å; W372-R374 VanDerWaalsContact C-N 3.33Å; W372-R374 PolarHBondContact O-N 2.71Å; R374-V376 VanDerWaalsContact C-N 3.33Å; R374-V376 PolarHBondContact O-N 3.4Å; R374-S377 WeakPolarHBondContact O-CB 3.44Å; R374-S377 PolarHBondContact O-N 2.99Å; R374-L378 WeakPolarHBondContact O-CB 3.41Å; R374-L378 PolarHBondContact O-N 3.5Å; R374-L525 HydrophobicContact CB-CB 4.13Å; R374-L525 HydrophobicContact CB-CD1 4.36Å |
| 375 | F | 83.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 176 | -179.5 | -102.1 | 0 | 0 | 0 | 111.6 | S371 W372 L378 V379 A459 F462 L525 | S371-F375 WeakPolarHBondContact O-CB 3.39Å; S371-F375 PolarHBondContact O-N 3.38Å; W372-F375 HydrophobicContact CE3-CD1 4.28Å; W372-F375 HydrophobicContact CZ3-CD1 4.23Å; W372-F375 PolarHBondContact O-N 3.22Å; F375-L378 WeakPolarHBondContact O-CB 3.49Å; F375-L378 PolarHBondContact O-N 3.26Å; F375-V379 HydrophobicContact CD1-CG2 4.27Å; F375-V379 HydrophobicContact CD2-CG2 4.35Å; F375-V379 HydrophobicContact CE1-CG2 3.88Å; F375-V379 HydrophobicContact CE2-CG2 3.97Å; F375-V379 HydrophobicContact CG-CG2 4.5Å; F375-V379 HydrophobicContact CZ-CG2 3.72Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 3.41Å; F375-A459 HydrophobicContact CE1-CB 3.96Å; F375-A459 HydrophobicContact CZ-CB 4.32Å; F375-F462 AromaticContact CE1-CD2 3.92Å; F375-F462 HydrophobicContact CE1-CD2 3.92Å; F375-F462 HydrophobicContact CE1-CE2 4.45Å; F375-F462 AromaticContact CZ-CD2 3.98Å; F375-F462 HydrophobicContact CZ-CD2 3.98Å; F375-F462 HydrophobicContact CZ-CE2 4.08Å; F375-L525 HydrophobicContact CB-CD1 4.24Å; F375-L525 HydrophobicContact CB-CD2 4.26Å; F375-L525 HydrophobicContact CD2-CD2 4.11Å |
| 376 | V | 84.1 | Confident | 79.6 | Confident | 12 Ų | 12 | 25 Ų | 25 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 112 | W372 A373 R374 L378 V379 N380 L470 F479 | W372-V376 WeakPolarHBondContact O-CB 3.43Å; W372-V376 VanDerWaalsContact O-CG2 3.27Å; W372-V376 WeakPolarHBondContact O-CG2 3.38Å; W372-V376 PolarHBondContact O-N 2.94Å; A373-V376 PolarHBondContact O-N 2.92Å; R374-V376 VanDerWaalsContact C-N 3.33Å; R374-V376 PolarHBondContact O-N 3.4Å; V376-L378 VanDerWaalsContact C-N 3.32Å; V376-L378 PolarHBondContact O-N 3.31Å; V376-V379 PolarHBondContact O-N 3.49Å; V376-N380 WeakPolarHBondContact CG1-ND2 3.4Å; V376-N380 VanDerWaalsContact O-CB 3.31Å; V376-N380 WeakPolarHBondContact O-CB 3.24Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.45Å; V376-N380 PolarHBondContact O-ND2 2.89Å; V376-N380 VanDerWaalsContact O-ND2 3.13Å; V376-L470 HydrophobicContact CG2-CD2 3.15Å; V376-L470 HydrophobicContact CG2-CG 4.47Å; V376-F479 HydrophobicContact CG1-CB 3.94Å; V376-F479 WeakPolarHBondContact CG1-O 3.26Å; V376-F479 HydrophobicContact CG2-CB 4.3Å |
| 377 | S | 80.9 | Confident | 80.3 | Confident | 38 Ų | 38 | 26.5 Ų | 26.5 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.8 | -49.3 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | A373 R374 N380 L381 | A373-S377 WeakPolarHBondContact O-CB 3.22Å; A373-S377 PolarHBondContact O-N 3.4Å; R374-S377 WeakPolarHBondContact O-CB 3.44Å; R374-S377 PolarHBondContact O-N 2.99Å; S377-N380 PolarHBondContact O-N 3.43Å; S377-L381 WeakPolarHBondContact O-CG 3.37Å; S377-L381 PolarHBondContact O-N 3.18Å |
| 378 | L | 83.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -53 | 177.8 | 176.8 | 115.2 | 0 | 0 | 0 | 112.5 | L350 R374 F375 V376 N380 L381 L382 L528 L532 | L350-L378 HydrophobicContact CD2-CD2 3.2Å; L350-L378 HydrophobicContact CD2-CG 4.47Å; R374-L378 WeakPolarHBondContact O-CB 3.41Å; R374-L378 PolarHBondContact O-N 3.5Å; F375-L378 WeakPolarHBondContact O-CB 3.49Å; F375-L378 PolarHBondContact O-N 3.26Å; V376-L378 VanDerWaalsContact C-N 3.32Å; V376-L378 PolarHBondContact O-N 3.31Å; L378-N380 PolarHBondContact O-N 3.3Å; L378-L381 WeakPolarHBondContact O-CA 3.31Å; L378-L381 WeakPolarHBondContact O-CB 3.34Å; L378-L381 PolarHBondContact O-N 3.31Å; L378-L382 PolarHBondContact O-N 2.91Å; L378-L382 VanDerWaalsContact O-N 3.15Å; L378-L528 HydrophobicContact CD1-CB 3.21Å; L378-L528 HydrophobicContact CD1-CD1 3.89Å; L378-L528 HydrophobicContact CD1-CG 4.1Å; L378-L532 HydrophobicContact CD1-CD1 3.9Å; L378-L532 HydrophobicContact CG-CD1 4.3Å |
| 379 | V | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -33.8 | -178 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | F375 V376 L381 L382 R456 A459 F479 | F375-V379 HydrophobicContact CD1-CG2 4.27Å; F375-V379 HydrophobicContact CD2-CG2 4.35Å; F375-V379 HydrophobicContact CE1-CG2 3.88Å; F375-V379 HydrophobicContact CE2-CG2 3.97Å; F375-V379 HydrophobicContact CG-CG2 4.5Å; F375-V379 HydrophobicContact CZ-CG2 3.72Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 3.41Å; V376-V379 PolarHBondContact O-N 3.49Å; V379-L381 VanDerWaalsContact C-N 3.29Å; V379-L381 PolarHBondContact O-N 3.03Å; V379-L382 WeakPolarHBondContact O-CB 3.24Å; V379-L382 PolarHBondContact O-N 3.34Å; V379-R456 PolarHBondContact O-NH1 3.46Å; V379-A459 HydrophobicContact CG1-CB 3.85Å; V379-A459 HydrophobicContact CG2-CB 4.24Å; V379-F479 HydrophobicContact CB-CD2 4.42Å; V379-F479 HydrophobicContact CG1-CD2 3.65Å; V379-F479 HydrophobicContact CG1-CE2 3.43Å; V379-F479 VanDerWaalsContact CG1-CE2 3.43Å; V379-F479 HydrophobicContact CG1-CZ 4.24Å |
| 380 | N | 85.8 | Confident | 82.6 | Confident | 46 Ų | 46 | 28.8 Ų | 28.8 | 25% | 0.246 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.3 | -20.4 | 172.9 | -75.5 | -34 | 0 | 0 | 0 | 113.7 | V376 S377 L378 K478 F479 | V376-N380 WeakPolarHBondContact CG1-ND2 3.4Å; V376-N380 VanDerWaalsContact O-CB 3.31Å; V376-N380 WeakPolarHBondContact O-CB 3.24Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.45Å; V376-N380 PolarHBondContact O-ND2 2.89Å; V376-N380 VanDerWaalsContact O-ND2 3.13Å; S377-N380 PolarHBondContact O-N 3.43Å; L378-N380 PolarHBondContact O-N 3.3Å; N380-K478 WeakPolarHBondContact OD1-CA 3.42Å; N380-K478 WeakPolarHBondContact OD1-CB 3.15Å; N380-F479 PolarHBondContact ND2-O 3.17Å; N380-F479 PolarHBondContact OD1-N 3.3Å |
| 381 | L | 81.3 | Confident | 83.3 | Confident | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -82.2 | -20.8 | 171.4 | -69.4 | 168.8 | 0 | 0 | 0 | 112.4 | K337 S377 L378 V379 L532 K536 | K337-L381 WeakPolarHBondContact CE-O 3.43Å; K337-L381 PolarHBondContact NZ-O 3Å; S377-L381 WeakPolarHBondContact O-CG 3.37Å; S377-L381 PolarHBondContact O-N 3.18Å; L378-L381 WeakPolarHBondContact O-CA 3.31Å; L378-L381 WeakPolarHBondContact O-CB 3.34Å; L378-L381 PolarHBondContact O-N 3.31Å; V379-L381 VanDerWaalsContact C-N 3.29Å; V379-L381 PolarHBondContact O-N 3.03Å; L381-L532 HydrophobicContact CB-CB 4.27Å; L381-L532 HydrophobicContact CB-CD1 3.94Å; L381-L532 HydrophobicContact CD1-CB 3.69Å; L381-L532 HydrophobicContact CD1-CD1 4.3Å; L381-K536 HydrophobicContact CD2-CD 3.93Å |
| 382 | L | 85.8 | Confident | 84 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -70.8 | 160.5 | 174 | -60.6 | -179.6 | 0 | 0 | 0 | 111.9 | K337 L341 L347 L378 V379 T384 I452 L455 L532 | K337-L382 PolarHBondContact NZ-O 3.33Å; L341-L382 HydrophobicContact CD1-CD2 4.29Å; L341-L382 HydrophobicContact CD2-CD2 3.94Å; L347-L382 HydrophobicContact CD2-CD2 4.26Å; L378-L382 PolarHBondContact O-N 2.91Å; L378-L382 VanDerWaalsContact O-N 3.15Å; V379-L382 WeakPolarHBondContact O-CB 3.24Å; V379-L382 PolarHBondContact O-N 3.34Å; L382-T384 PolarHBondContact O-N 3.48Å; L382-I452 HydrophobicContact CB-CG2 4.2Å; L382-I452 HydrophobicContact CD1-CG2 4.47Å; L382-L455 HydrophobicContact CD1-CB 3.89Å; L382-L455 HydrophobicContact CD1-CD1 3.86Å; L382-L532 HydrophobicContact CD2-CD1 4.44Å |
| 383 | P | 85.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 138.4 | 170.2 | -27.3 | 35.5 | 0 | 0 | 0 | 111.8 | V334 K337 L341 E387 L388 I452 R456 | V334-P383 HydrophobicContact CG1-CB 4.3Å; V334-P383 HydrophobicContact CG1-CG 4.47Å; K337-P383 HydrophobicContact CD-CG 4.24Å; K337-P383 HydrophobicContact CG-CG 4.46Å; L341-P383 HydrophobicContact CD1-CG 3.97Å; P383-E387 VanDerWaalsContact CA-OE2 3.23Å; P383-E387 WeakPolarHBondContact CA-OE2 3.4Å; P383-E387 HydrophobicContact CB-CB 4.2Å; P383-L388 HydrophobicContact CB-CD2 3.96Å; P383-L388 HydrophobicContact CB-CG 4.06Å; P383-I452 HydrophobicContact CG-CD1 4.13Å; P383-R456 VanDerWaalsContact O-CD 3.31Å; P383-R456 WeakPolarHBondContact O-CD 3.34Å; P383-R456 PolarHBondContact O-NH1 2.64Å |
| 384 | T | 84.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -73.1 | 164.3 | 173.3 | 64 | 0 | 0 | 0 | 0 | 111.6 | L382 F386 E387 L388 | L382-T384 PolarHBondContact O-N 3.48Å; T384-F386 PolarHBondContact O-N 2.84Å; T384-E387 PolarHBondContact N-OE2 3.22Å; T384-E387 WeakPolarHBondContact O-CB 3.32Å; T384-E387 PolarHBondContact O-N 3.35Å; T384-E387 VanDerWaalsContact O-N 3.1Å; T384-E387 WeakPolarHBondContact OG1-CB 3.25Å; T384-E387 VanDerWaalsContact OG1-CG 3.27Å; T384-E387 WeakPolarHBondContact OG1-CG 3.48Å; T384-E387 PolarHBondContact OG1-N 3.26Å; T384-E387 PolarHBondContact OG1-OE2 2.85Å; T384-L388 WeakPolarHBondContact O-CG 3.45Å; T384-L388 PolarHBondContact O-N 3.37Å |
| 385 | E | 87.6 | Confident | 85.1 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -38.7 | 176.2 | -57 | -167.3 | -161.3 | 0 | 0 | 112.2 | L388 S389 M408 L410 H460 | E385-L388 PolarHBondContact O-N 2.84Å; E385-S389 WeakPolarHBondContact O-CB 3.37Å; E385-S389 PolarHBondContact O-N 3.06Å; E385-M408 HydrophobicContact CB-CE 3.61Å; E385-M408 HydrophobicContact CB-SD 4.24Å; E385-L410 HydrophobicContact CG-CB 4.28Å; E385-L410 HydrophobicContact CG-CD1 3.8Å; E385-L410 HydrophobicContact CG-CG 3.96Å; E385-L410 PolarHBondContact OE2-N 2.59Å; E385-H460 IonicContact OE1-CD2 3.71Å; E385-H460 IonicContact OE1-CE1 3.54Å; E385-H460 IonicContact OE1-NE2 3.01Å; E385-H460 PolarHBondContact OE1-NE2 3.3Å |
| 386 | F | 84.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 44 Ų | 44 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63 | -44.6 | 174.2 | -63.8 | -76.2 | 0 | 0 | 0 | 111.9 | T384 L388 S389 D390 L477 | T384-F386 PolarHBondContact O-N 2.84Å; F386-L388 VanDerWaalsContact C-N 3.35Å; F386-L388 PolarHBondContact O-N 3.5Å; F386-S389 PolarHBondContact O-N 2.9Å; F386-D390 WeakPolarHBondContact O-CB 3.1Å; F386-D390 PolarHBondContact O-N 3.2Å; F386-L477 HydrophobicContact CD2-CD1 4.45Å; F386-L477 HydrophobicContact CE2-CD1 3.81Å |
| 387 | E | 84.8 | Confident | 85.4 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.4 | -75.3 | 176.4 | 136.6 | 0 | 0 | 112.1 | V334 P383 T384 D390 I391 | V334-E387 HydrophobicContact CG1-CB 3.85Å; V334-E387 HydrophobicContact CG1-CG 4.41Å; V334-E387 HydrophobicContact CG2-CB 4.15Å; V334-E387 HydrophobicContact CG2-CG 3.83Å; V334-E387 WeakPolarHBondContact CG2-OE1 3.47Å; P383-E387 VanDerWaalsContact CA-OE2 3.23Å; P383-E387 WeakPolarHBondContact CA-OE2 3.4Å; P383-E387 HydrophobicContact CB-CB 4.2Å; T384-E387 PolarHBondContact N-OE2 3.22Å; T384-E387 WeakPolarHBondContact O-CB 3.32Å; T384-E387 PolarHBondContact O-N 3.35Å; T384-E387 VanDerWaalsContact O-N 3.1Å; T384-E387 WeakPolarHBondContact OG1-CB 3.25Å; T384-E387 VanDerWaalsContact OG1-CG 3.27Å; T384-E387 WeakPolarHBondContact OG1-CG 3.48Å; T384-E387 PolarHBondContact OG1-N 3.26Å; T384-E387 PolarHBondContact OG1-OE2 2.85Å; E387-D390 PolarHBondContact O-N 2.84Å; E387-I391 VanDerWaalsContact O-CG1 3.31Å; E387-I391 WeakPolarHBondContact O-CG1 3.44Å; E387-I391 PolarHBondContact O-N 2.8Å |
| 388 | L | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 175 | -69.1 | 169.8 | 0 | 0 | 0 | 111.6 | P383 T384 E385 F386 I391 N392 F406 L410 F449 I452 | P383-L388 HydrophobicContact CB-CD2 3.96Å; P383-L388 HydrophobicContact CB-CG 4.06Å; T384-L388 WeakPolarHBondContact O-CG 3.45Å; T384-L388 PolarHBondContact O-N 3.37Å; E385-L388 PolarHBondContact O-N 2.84Å; F386-L388 VanDerWaalsContact C-N 3.35Å; F386-L388 PolarHBondContact O-N 3.5Å; L388-I391 PolarHBondContact O-N 3.03Å; L388-N392 WeakPolarHBondContact O-CB 3.45Å; L388-N392 PolarHBondContact O-N 2.85Å; L388-F406 HydrophobicContact CB-CE2 4.24Å; L388-F406 HydrophobicContact CB-CZ 4.09Å; L388-L410 HydrophobicContact CD1-CD1 4.06Å; L388-F449 HydrophobicContact CB-CE2 3.97Å; L388-F449 HydrophobicContact CB-CZ 3.83Å; L388-F449 HydrophobicContact CD2-CD2 3.74Å; L388-F449 HydrophobicContact CD2-CE1 4.49Å; L388-F449 HydrophobicContact CD2-CE2 3.49Å; L388-F449 VanDerWaalsContact CD2-CE2 3.49Å; L388-F449 HydrophobicContact CD2-CG 4.37Å; L388-F449 HydrophobicContact CD2-CZ 3.9Å; L388-F449 HydrophobicContact CG-CE2 4.33Å; L388-F449 HydrophobicContact CG-CZ 4.41Å; L388-F449 WeakPolarHBondContact O-CE2 3.29Å; L388-I452 HydrophobicContact CD1-CG2 4.09Å; L388-I452 HydrophobicContact CD2-CG2 4.16Å |
| 389 | S | 88 | Confident | 85.9 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | E385 F386 I391 N392 A393 | E385-S389 WeakPolarHBondContact O-CB 3.37Å; E385-S389 PolarHBondContact O-N 3.06Å; F386-S389 PolarHBondContact O-N 2.9Å; S389-I391 PolarHBondContact O-N 3.33Å; S389-N392 PolarHBondContact O-N 2.81Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 2.78Å |
| 390 | D | 84.2 | Confident | 86.1 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 174.3 | -99.4 | -38.4 | 0 | 0 | 0 | 112.3 | F386 E387 A393 R394 | F386-D390 WeakPolarHBondContact O-CB 3.1Å; F386-D390 PolarHBondContact O-N 3.2Å; E387-D390 PolarHBondContact O-N 2.84Å; D390-A393 PolarHBondContact O-N 3.32Å; D390-R394 VanDerWaalsContact O-CB 3.31Å; D390-R394 WeakPolarHBondContact O-CB 3.31Å; D390-R394 WeakPolarHBondContact O-CD 3.4Å; D390-R394 VanDerWaalsContact O-CG 3.26Å; D390-R394 WeakPolarHBondContact O-CG 3.38Å; D390-R394 PolarHBondContact O-N 2.81Å; D390-R394 IonicContact OD1-CZ 3.64Å; D390-R394 IonicContact OD1-NE 3.64Å; D390-R394 PolarHBondContact OD1-NE 2.86Å; D390-R394 IonicContact OD1-NH2 3.83Å; D390-R394 PolarHBondContact OD1-NH2 3.48Å; D390-R394 IonicContact OD2-NH2 2.98Å |
| 391 | I | 85.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 173.9 | -68.8 | 163.6 | 0 | 0 | 0 | 110.2 | V334 L338 E387 L388 S389 A393 R394 N395 I398 F449 | V334-I391 HydrophobicContact CB-CD1 4.33Å; V334-I391 HydrophobicContact CB-CG1 4.38Å; V334-I391 HydrophobicContact CG1-CD1 3.28Å; V334-I391 HydrophobicContact CG1-CG1 3.75Å; L338-I391 HydrophobicContact CD2-CD1 4.26Å; L338-I391 HydrophobicContact CD2-CG2 4.45Å; E387-I391 VanDerWaalsContact O-CG1 3.31Å; E387-I391 WeakPolarHBondContact O-CG1 3.44Å; E387-I391 PolarHBondContact O-N 2.8Å; L388-I391 PolarHBondContact O-N 3.03Å; S389-I391 PolarHBondContact O-N 3.33Å; I391-A393 VanDerWaalsContact C-N 3.28Å; I391-A393 PolarHBondContact O-N 3.17Å; I391-R394 PolarHBondContact O-N 2.73Å; I391-N395 HydrophobicContact CG2-CB 4.11Å; I391-N395 VanDerWaalsContact O-CB 3.24Å; I391-N395 WeakPolarHBondContact O-CB 3.28Å; I391-N395 PolarHBondContact O-N 3.04Å; I391-I398 HydrophobicContact CG2-CD1 3.86Å; I391-F449 HydrophobicContact CB-CE2 4.12Å; I391-F449 HydrophobicContact CD1-CE2 4.44Å; I391-F449 HydrophobicContact CG2-CD2 4.22Å; I391-F449 HydrophobicContact CG2-CE2 4.03Å |
| 392 | N | 87.6 | Confident | 86.4 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | -179.4 | -174.6 | 45.4 | 0 | 0 | 0 | 111.7 | L388 S389 A399 I402 F406 F449 | L388-N392 WeakPolarHBondContact O-CB 3.45Å; L388-N392 PolarHBondContact O-N 2.85Å; S389-N392 PolarHBondContact O-N 2.81Å; N392-A399 WeakPolarHBondContact O-CB 3.49Å; N392-I402 HydrophobicContact CB-CD1 4.43Å; N392-I402 WeakPolarHBondContact OD1-CD1 3.19Å; N392-F406 HydrophobicContact CB-CD1 4.1Å; N392-F406 HydrophobicContact CB-CE1 4.12Å; N392-F449 HydrophobicContact CB-CZ 4.41Å |
| 393 | A | 87.1 | Confident | 86.5 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 66% | 0.661 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -72 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S389 D390 I391 | S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 2.78Å; D390-A393 PolarHBondContact O-N 3.32Å; I391-A393 VanDerWaalsContact C-N 3.28Å; I391-A393 PolarHBondContact O-N 3.17Å |
| 394 | R | 82 | Confident | 86.5 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -101.9 | -30.3 | -168 | -62.5 | 169.4 | -166.5 | -129.4 | 7.8 | 114 | A327 C331 D390 I391 K396 | A327-R394 VanDerWaalsContact C-NH1 3.26Å; A327-R394 PolarHBondContact O-NH1 3.4Å; C331-R394 VanDerWaalsContact SG-CB 3.55Å; C331-R394 WeakPolarHBondContact SG-CD 3.17Å; D390-R394 VanDerWaalsContact O-CB 3.31Å; D390-R394 WeakPolarHBondContact O-CB 3.31Å; D390-R394 WeakPolarHBondContact O-CD 3.4Å; D390-R394 VanDerWaalsContact O-CG 3.26Å; D390-R394 WeakPolarHBondContact O-CG 3.38Å; D390-R394 PolarHBondContact O-N 2.81Å; D390-R394 IonicContact OD1-CZ 3.64Å; D390-R394 IonicContact OD1-NE 3.64Å; D390-R394 PolarHBondContact OD1-NE 2.86Å; D390-R394 IonicContact OD1-NH2 3.83Å; D390-R394 PolarHBondContact OD1-NH2 3.48Å; D390-R394 IonicContact OD2-NH2 2.98Å; I391-R394 PolarHBondContact O-N 2.73Å; R394-K396 PolarHBondContact O-N 3.05Å |
| 395 | N | 85.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | trans | -91.9 | 89.4 | -180 | -169.6 | -34.8 | 0 | 0 | 0 | 110.7 | I391 K397 I398 A399 | I391-N395 HydrophobicContact CG2-CB 4.11Å; I391-N395 VanDerWaalsContact O-CB 3.24Å; I391-N395 WeakPolarHBondContact O-CB 3.28Å; I391-N395 PolarHBondContact O-N 3.04Å; N395-K397 PolarHBondContact O-N 2.91Å; N395-K397 VanDerWaalsContact O-N 3.08Å; N395-K397 PolarHBondContact OD1-N 3.3Å; N395-I398 HydrophobicContact CB-CB 4.25Å; N395-I398 HydrophobicContact CB-CD1 4.28Å; N395-I398 HydrophobicContact CB-CG1 4.4Å; N395-I398 VanDerWaalsContact ND2-CD1 3.34Å; N395-I398 WeakPolarHBondContact ND2-CD1 3.41Å; N395-I398 PolarHBondContact O-N 2.66Å; N395-I398 PolarHBondContact OD1-N 3.14Å; N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.39Å; N395-A399 PolarHBondContact O-N 3.19Å | ||
| 396 | K | 86.7 | Confident | 86.6 | Confident | 185 Ų | 185 | 64.2 Ų | 64.2 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54 | -30.9 | -178.3 | -64.7 | -175.1 | -179.7 | -179.5 | 0 | 114.1 | R394 K400 | R394-K396 PolarHBondContact O-N 3.05Å; K396-K400 VanDerWaalsContact O-CB 3.31Å; K396-K400 WeakPolarHBondContact O-CB 3.3Å; K396-K400 PolarHBondContact O-N 2.75Å; K396-K400 VanDerWaalsContact O-N 3.12Å |
| 397 | K | 87.8 | Confident | 86.9 | Confident | 134 Ų | 134 | 62.4 Ų | 62.4 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.2 | -54.8 | 179.1 | -175.9 | -177.2 | 176.8 | -173.4 | 0 | 110.2 | N395 A399 K400 E401 | N395-K397 PolarHBondContact O-N 2.91Å; N395-K397 VanDerWaalsContact O-N 3.08Å; N395-K397 PolarHBondContact OD1-N 3.3Å; K397-A399 PolarHBondContact O-N 3.37Å; K397-K400 PolarHBondContact O-N 3.3Å; K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 PolarHBondContact O-N 3.49Å |
| 398 | I | 86.6 | Confident | 87 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 177.6 | -64.2 | 176.8 | 0 | 0 | 0 | 109.7 | L338 I391 N395 K400 E401 I402 T445 F449 | L338-I398 HydrophobicContact CD2-CD1 3.69Å; I391-I398 HydrophobicContact CG2-CD1 3.86Å; N395-I398 HydrophobicContact CB-CB 4.25Å; N395-I398 HydrophobicContact CB-CD1 4.28Å; N395-I398 HydrophobicContact CB-CG1 4.4Å; N395-I398 VanDerWaalsContact ND2-CD1 3.34Å; N395-I398 WeakPolarHBondContact ND2-CD1 3.41Å; N395-I398 PolarHBondContact O-N 2.66Å; N395-I398 PolarHBondContact OD1-N 3.14Å; I398-K400 PolarHBondContact O-N 3.16Å; I398-K400 VanDerWaalsContact O-N 3.13Å; I398-E401 WeakPolarHBondContact O-CA 3.34Å; I398-E401 PolarHBondContact O-N 3.04Å; I398-I402 HydrophobicContact CG2-CD1 3.84Å; I398-I402 HydrophobicContact CG2-CG1 4.18Å; I398-I402 HydrophobicContact CG2-CG2 4.33Å; I398-I402 WeakPolarHBondContact O-CG1 3.43Å; I398-I402 PolarHBondContact O-N 3.07Å; I398-T445 HydrophobicContact CD1-CG2 3.82Å; I398-F449 HydrophobicContact CG2-CD2 4.34Å |
| 399 | A | 88.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.4 | -32.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N392 N395 K397 R403 | N392-A399 WeakPolarHBondContact O-CB 3.49Å; N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.39Å; N395-A399 PolarHBondContact O-N 3.19Å; K397-A399 PolarHBondContact O-N 3.37Å; A399-R403 WeakPolarHBondContact O-CB 3.24Å; A399-R403 PolarHBondContact O-N 2.67Å |
| 400 | K | 89.1 | Confident | 87.1 | Confident | 127 Ų | 127 | 63.2 Ų | 63.2 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -73.9 | -36.6 | 175.2 | -176.5 | -178 | 177.5 | -176.4 | 0 | 112 | K396 K397 I398 | K396-K400 VanDerWaalsContact O-CB 3.31Å; K396-K400 WeakPolarHBondContact O-CB 3.3Å; K396-K400 PolarHBondContact O-N 2.75Å; K396-K400 VanDerWaalsContact O-N 3.12Å; K397-K400 PolarHBondContact O-N 3.3Å; I398-K400 PolarHBondContact O-N 3.16Å; I398-K400 VanDerWaalsContact O-N 3.13Å |
| 401 | E | 87 | Confident | 87.2 | Confident | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.9 | -38 | -179.8 | -68.5 | 175.7 | -153.5 | 0 | 0 | 112 | K397 I398 S443 A446 | K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 PolarHBondContact O-N 3.49Å; I398-E401 WeakPolarHBondContact O-CA 3.34Å; I398-E401 PolarHBondContact O-N 3.04Å; E401-S443 WeakPolarHBondContact OE2-CB 3.42Å; E401-S443 PolarHBondContact OE2-N 3.06Å; E401-S443 PolarHBondContact OE2-OG 3.42Å; E401-A446 HydrophobicContact CB-CB 4.14Å; E401-A446 VanDerWaalsContact OE2-CB 3.24Å; E401-A446 WeakPolarHBondContact OE2-CB 3.34Å |
| 402 | I | 87.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -99 | 12.4 | -178.2 | 72.6 | 174 | 0 | 0 | 0 | 114.4 | N392 I398 G404 L405 F406 M442 A446 F449 L450 | N392-I402 HydrophobicContact CB-CD1 4.43Å; N392-I402 WeakPolarHBondContact OD1-CD1 3.19Å; I398-I402 HydrophobicContact CG2-CD1 3.84Å; I398-I402 HydrophobicContact CG2-CG1 4.18Å; I398-I402 HydrophobicContact CG2-CG2 4.33Å; I398-I402 WeakPolarHBondContact O-CG1 3.43Å; I398-I402 PolarHBondContact O-N 3.07Å; I402-G404 PolarHBondContact O-N 2.79Å; I402-G404 VanDerWaalsContact O-N 3.13Å; I402-L405 HydrophobicContact CB-CB 4.45Å; I402-L405 WeakPolarHBondContact O-CB 3.28Å; I402-L405 PolarHBondContact O-N 3.24Å; I402-F406 HydrophobicContact CD1-CB 4.04Å; I402-M442 HydrophobicContact CG2-CE 3.93Å; I402-A446 HydrophobicContact CG2-CB 4Å; I402-F449 HydrophobicContact CD1-CD1 3.62Å; I402-F449 HydrophobicContact CD1-CE1 3.33Å; I402-F449 HydrophobicContact CD1-CE2 4.34Å; I402-F449 HydrophobicContact CD1-CG 4.27Å; I402-F449 HydrophobicContact CD1-CZ 3.73Å; I402-L450 HydrophobicContact CG2-CG 4.5Å |
| 403 | R | 87.2 | Confident | 87.4 | Confident | 194 Ų | 194 | 66.2 Ų | 66.2 | 73% | 0.732 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.8 | -176.3 | -174.5 | -176.8 | -63.1 | -164.8 | -3.1 | 110.8 | A399 L405 | A399-R403 WeakPolarHBondContact O-CB 3.24Å; A399-R403 PolarHBondContact O-N 2.67Å; R403-L405 PolarHBondContact O-N 2.82Å |
| 404 | G | 84.9 | Confident | 87.3 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -0.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I402 | I402-G404 PolarHBondContact O-N 2.79Å; I402-G404 VanDerWaalsContact O-N 3.13Å |
| 405 | L | 86.5 | Confident | 87.5 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -7 | 178.1 | -56.1 | -178.1 | 0 | 0 | 0 | 113.1 | I402 R403 W413 E416 V417 I438 M442 L450 | I402-L405 HydrophobicContact CB-CB 4.45Å; I402-L405 WeakPolarHBondContact O-CB 3.28Å; I402-L405 PolarHBondContact O-N 3.24Å; R403-L405 PolarHBondContact O-N 2.82Å; L405-W413 PolarHBondContact O-NE1 3.18Å; L405-E416 HydrophobicContact CD2-CB 4.2Å; L405-V417 HydrophobicContact CD1-CG2 3.73Å; L405-V417 HydrophobicContact CD2-CG2 3.48Å; L405-V417 VanDerWaalsContact CD2-CG2 3.48Å; L405-V417 HydrophobicContact CG-CG2 4.21Å; L405-I438 HydrophobicContact CD1-CD1 3.99Å; L405-M442 HydrophobicContact CD1-SD 4.45Å; L405-L450 HydrophobicContact CB-CD2 4.41Å; L405-L450 HydrophobicContact CD1-CD1 4.37Å |
| 406 | F | 89.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | trans | -133.5 | 131.6 | -178.4 | 171.3 | -99.6 | 0 | 0 | 0 | 110 | L388 N392 I402 M408 L410 F449 | L388-F406 HydrophobicContact CB-CE2 4.24Å; L388-F406 HydrophobicContact CB-CZ 4.09Å; N392-F406 HydrophobicContact CB-CD1 4.1Å; N392-F406 HydrophobicContact CB-CE1 4.12Å; I402-F406 HydrophobicContact CD1-CB 4.04Å; F406-M408 HydrophobicContact CZ-CG 3.99Å; F406-L410 HydrophobicContact CD2-CD2 4.21Å; F406-L410 HydrophobicContact CE2-CD2 3.83Å; F406-F449 HydrophobicContact CB-CE1 4.23Å; F406-F449 HydrophobicContact CD1-CE1 4.5Å; F406-F449 HydrophobicContact CD1-CZ 4.41Å; F406-F449 AromaticContact CD2-CE1 3.65Å; F406-F449 HydrophobicContact CD2-CE1 3.65Å; F406-F449 HydrophobicContact CD2-CZ 4.06Å; F406-F449 HydrophobicContact CE1-CZ 4.46Å; F406-F449 HydrophobicContact CE2-CE1 4.09Å; F406-F449 HydrophobicContact CE2-CZ 4.09Å; F406-F449 AromaticContact CG-CE1 3.87Å; F406-F449 HydrophobicContact CG-CE1 3.87Å; F406-F449 HydrophobicContact CG-CZ 4.2Å; F406-F449 HydrophobicContact CZ-CZ 4.3Å | ||
| 407 | Y | 90.4 | Very high | 86.8 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 35% | 0.349 | 26% | 0.262 | S | S | . | . | trans | -149.8 | 162 | 171.1 | 60.3 | -91.1 | 0 | 0 | 0 | 109.4 | E412 W413 E414 | Y407-E412 WeakPolarHBondContact CE2-O 3.14Å; Y407-E412 PolarHBondContact OH-O 2.91Å; Y407-W413 AromaticContact CD1-CD1 3.66Å; Y407-W413 AromaticContact CE1-CD1 3.61Å; Y407-W413 HydrophobicContact CE1-CG 4.45Å; Y407-W413 HydrophobicContact CE2-CB 4.24Å; Y407-W413 WeakPolarHBondContact OH-CA 3.19Å; Y407-E414 PolarHBondContact OH-N 3.18Å; Y407-E414 VanDerWaalsContact OH-N 3.09Å | ||
| 408 | M | 87.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -112.6 | 153.6 | 175.1 | -75.6 | -175.9 | 64.3 | 0 | 0 | 109.7 | E385 F406 | E385-M408 HydrophobicContact CB-CE 3.61Å; E385-M408 HydrophobicContact CB-SD 4.24Å; F406-M408 HydrophobicContact CZ-CG 3.99Å |
| 409 | P | 89.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | cis | -75.5 | 148.9 | 0.1 | 32 | -35.4 | 0 | 0 | 0 | 112.9 | S411 E412 W413 | P409-S411 PolarHBondContact O-N 3.14Å; P409-E412 HydrophobicContact CG-CB 4.27Å; P409-E412 HydrophobicContact CG-CG 4.02Å; P409-E412 PolarHBondContact O-N 3.49Å; P409-E412 VanDerWaalsContact O-N 3.11Å; P409-W413 PolarHBondContact O-N 3.22Å | ||
| 410 | L | 89.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -65.7 | -19.6 | 179.9 | -73 | -174.2 | 0 | 0 | 0 | 113.5 | E385 L388 F406 E412 W413 C453 R456 | E385-L410 HydrophobicContact CG-CB 4.28Å; E385-L410 HydrophobicContact CG-CD1 3.8Å; E385-L410 HydrophobicContact CG-CG 3.96Å; E385-L410 PolarHBondContact OE2-N 2.59Å; L388-L410 HydrophobicContact CD1-CD1 4.06Å; F406-L410 HydrophobicContact CD2-CD2 4.21Å; F406-L410 HydrophobicContact CE2-CD2 3.83Å; L410-E412 PolarHBondContact O-N 2.79Å; L410-W413 HydrophobicContact CB-CB 4.46Å; L410-W413 HydrophobicContact CD2-CB 3.75Å; L410-W413 HydrophobicContact CD2-CD2 4.16Å; L410-W413 HydrophobicContact CD2-CG 3.82Å; L410-W413 WeakPolarHBondContact O-CB 3.47Å; L410-W413 PolarHBondContact O-N 3.13Å; L410-W413 VanDerWaalsContact O-N 3.13Å; L410-C453 HydrophobicContact CD1-CB 4.39Å; L410-C453 HydrophobicContact CD2-CB 4.11Å; L410-R456 HydrophobicContact CD1-CB 3.74Å; L410-R456 HydrophobicContact CD1-CG 4.39Å |
| 411 | S | 86.9 | Confident | 85.6 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.9 | -18.3 | 173.5 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | P409 R464 | P409-S411 PolarHBondContact O-N 3.14Å; S411-R464 PolarHBondContact O-NH2 2.65Å; S411-R464 VanDerWaalsContact O-NH2 3.12Å |
| 412 | E | 86.3 | Confident | 85.4 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 59% | 0.593 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -114.3 | -0.3 | 177.1 | -62.6 | 177.4 | 179.7 | 0 | 0 | 111.6 | Y407 P409 L410 | Y407-E412 WeakPolarHBondContact CE2-O 3.14Å; Y407-E412 PolarHBondContact OH-O 2.91Å; P409-E412 HydrophobicContact CG-CB 4.27Å; P409-E412 HydrophobicContact CG-CG 4.02Å; P409-E412 PolarHBondContact O-N 3.49Å; P409-E412 VanDerWaalsContact O-N 3.11Å; L410-E412 PolarHBondContact O-N 2.79Å |
| 413 | W | 90.5 | Very high | 84.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | trans | -76.8 | 128 | -177.9 | 177.3 | 79 | 0 | 0 | 0 | 111.2 | L405 Y407 P409 L410 Q415 L450 C453 K457 | L405-W413 PolarHBondContact O-NE1 3.18Å; Y407-W413 AromaticContact CD1-CD1 3.66Å; Y407-W413 AromaticContact CE1-CD1 3.61Å; Y407-W413 HydrophobicContact CE1-CG 4.45Å; Y407-W413 HydrophobicContact CE2-CB 4.24Å; Y407-W413 WeakPolarHBondContact OH-CA 3.19Å; P409-W413 PolarHBondContact O-N 3.22Å; L410-W413 HydrophobicContact CB-CB 4.46Å; L410-W413 HydrophobicContact CD2-CB 3.75Å; L410-W413 HydrophobicContact CD2-CD2 4.16Å; L410-W413 HydrophobicContact CD2-CG 3.82Å; L410-W413 WeakPolarHBondContact O-CB 3.47Å; L410-W413 PolarHBondContact O-N 3.13Å; L410-W413 VanDerWaalsContact O-N 3.13Å; W413-Q415 HydrophobicContact CH2-CB 3.76Å; W413-Q415 HydrophobicContact CH2-CG 4.05Å; W413-Q415 HydrophobicContact CZ2-CB 4.45Å; W413-Q415 HydrophobicContact CZ3-CB 4.05Å; W413-L450 HydrophobicContact CZ2-CD2 4.09Å; W413-C453 HydrophobicContact CD2-CB 4.43Å; W413-C453 HydrophobicContact CE3-CB 4.13Å; W413-C453 HydrophobicContact CH2-CB 3.97Å; W413-C453 HydrophobicContact CZ2-CB 4.28Å; W413-C453 HydrophobicContact CZ3-CB 3.89Å; W413-K457 HydrophobicContact CE3-CB 4.48Å; W413-K457 HydrophobicContact CE3-CD 4.31Å; W413-K457 VanDerWaalsContact O-CD 3.23Å; W413-K457 WeakPolarHBondContact O-CD 3.35Å; W413-K457 WeakPolarHBondContact O-CE 3.3Å | ||
| 414 | E | 84.7 | Confident | 84.1 | Confident | 88 Ų | 88 | 35.9 Ų | 35.9 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | trans | -106.9 | 141.9 | 173.8 | -71.2 | -59.3 | 154 | 0 | 0 | 112.1 | Y407 E416 K457 | Y407-E414 PolarHBondContact OH-N 3.18Å; Y407-E414 VanDerWaalsContact OH-N 3.09Å; E414-E416 PolarHBondContact O-N 3.24Å; E414-E416 VanDerWaalsContact O-N 3.1Å; E414-K457 IonicContact OE1-NZ 3.17Å; E414-K457 PolarHBondContact OE1-NZ 3.49Å; E414-K457 IonicContact OE2-NZ 2.96Å; E414-K457 PolarHBondContact OE2-NZ 3.4Å | ||
| 415 | Q | 85.7 | Confident | 83.7 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | trans | -75.1 | 101.3 | 177 | -175.4 | -175.5 | -11.4 | 0 | 0 | 109.9 | W413 V417 D422 L433 C454 | W413-Q415 HydrophobicContact CH2-CB 3.76Å; W413-Q415 HydrophobicContact CH2-CG 4.05Å; W413-Q415 HydrophobicContact CZ2-CB 4.45Å; W413-Q415 HydrophobicContact CZ3-CB 4.05Å; Q415-V417 VanDerWaalsContact C-N 3.29Å; Q415-V417 VanDerWaalsContact CG-O 3.27Å; Q415-V417 WeakPolarHBondContact CG-O 3.49Å; Q415-V417 PolarHBondContact NE2-O 2.89Å; Q415-V417 PolarHBondContact O-N 3.12Å; Q415-D422 PolarHBondContact NE2-OD2 3.02Å; Q415-L433 HydrophobicContact CB-CD2 4.23Å; Q415-L433 HydrophobicContact CG-CD2 4.03Å; Q415-C454 PolarHBondContact OE1-SG 2.84Å | ||
| 416 | E | 79.6 | Confident | 83.2 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | trans | -84 | 5.9 | 179.5 | -62.2 | -171.5 | -175.4 | 0 | 0 | 114.9 | L405 E414 H434 R436 | L405-E416 HydrophobicContact CD2-CB 4.2Å; E414-E416 PolarHBondContact O-N 3.24Å; E414-E416 VanDerWaalsContact O-N 3.1Å; E416-H434 CarbonylContact C-O 3.58Å; E416-H434 HydrophobicContact CB-CB 4.47Å; E416-H434 HydrophobicContact CG-CB 4.46Å; E416-R436 WeakPolarHBondContact OE2-CD 3.31Å; E416-R436 IonicContact OE2-CZ 2.81Å; E416-R436 IonicContact OE2-NE 2.73Å; E416-R436 IonicContact OE2-NH1 3.17Å; E416-R436 PolarHBondContact OE2-NH1 3.23Å | ||
| 417 | V | 78 | Confident | 82.3 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -151 | 129.1 | -172.8 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L405 Q415 L419 I438 | L405-V417 HydrophobicContact CD1-CG2 3.73Å; L405-V417 HydrophobicContact CD2-CG2 3.48Å; L405-V417 VanDerWaalsContact CD2-CG2 3.48Å; L405-V417 HydrophobicContact CG-CG2 4.21Å; Q415-V417 VanDerWaalsContact C-N 3.29Å; Q415-V417 VanDerWaalsContact CG-O 3.27Å; Q415-V417 WeakPolarHBondContact CG-O 3.49Å; Q415-V417 PolarHBondContact NE2-O 2.89Å; Q415-V417 PolarHBondContact O-N 3.12Å; V417-L419 PolarHBondContact O-N 3.08Å; V417-I438 HydrophobicContact CB-CD1 3.96Å; V417-I438 HydrophobicContact CB-CG1 4.42Å; V417-I438 HydrophobicContact CG1-CD1 3.21Å; V417-I438 HydrophobicContact CG1-CG1 3.83Å; V417-I438 HydrophobicContact CG2-CD1 3.5Å; V417-I438 HydrophobicContact CG2-CG1 3.69Å |
| 418 | S | 77.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | trans | -68.6 | 127 | 172.6 | -35.9 | 0 | 0 | 0 | 0 | 111.1 | L433 | S418-L433 VanDerWaalsContact OG-CD1 3.32Å; S418-L433 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 419 | L | 83.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -78.2 | 165 | 169.7 | -54.4 | -178.9 | 0 | 0 | 0 | 109.6 | V417 E421 D422 A423 V447 L450 R451 | V417-L419 PolarHBondContact O-N 3.08Å; L419-E421 PolarHBondContact O-N 3.27Å; L419-E421 VanDerWaalsContact O-N 3.17Å; L419-D422 WeakPolarHBondContact CB-OD2 3.36Å; L419-D422 PolarHBondContact N-OD2 3.25Å; L419-D422 WeakPolarHBondContact O-CB 3.47Å; L419-D422 PolarHBondContact O-N 2.69Å; L419-A423 PolarHBondContact O-N 3.47Å; L419-V447 HydrophobicContact CB-CG1 4.39Å; L419-V447 HydrophobicContact CD2-CG1 4.02Å; L419-L450 HydrophobicContact CD1-CB 4.34Å; L419-L450 HydrophobicContact CD2-CB 3.83Å; L419-L450 HydrophobicContact CD2-CD1 3.98Å; L419-R451 HydrophobicContact CD1-CB 4.16Å; L419-R451 HydrophobicContact CD1-CG 3.75Å | ||
| 420 | P | 80.9 | Confident | 80.4 | Confident | 78 Ų | 78 | 31.9 Ų | 31.9 | 51% | 0.506 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -52 | -40.6 | -178.6 | -29.9 | 36.7 | 0 | 0 | 0 | 113.9 | A423 C424 V447 | P420-A423 PolarHBondContact O-N 3.34Å; P420-C424 PolarHBondContact O-N 3.09Å; P420-C424 PolarHBondContact O-SG 3.01Å; P420-C424 VanDerWaalsContact O-SG 3.37Å; P420-V447 HydrophobicContact CG-CG1 4.15Å |
| 421 | E | 84.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -29.2 | 176.9 | 63.4 | -89 | -150.8 | 0 | 0 | 113.9 | I281 K348 K351 V352 L419 C424 V425 R451 | I281-E421 HydrophobicContact CD1-CB 4.15Å; K348-E421 HydrophobicContact CB-CB 3.94Å; K348-E421 VanDerWaalsContact CB-CD 3.48Å; K348-E421 HydrophobicContact CB-CG 3.8Å; K351-E421 HydrophobicContact CD-CG 4.37Å; V352-E421 HydrophobicContact CG2-CB 3.86Å; V352-E421 HydrophobicContact CG2-CG 3.95Å; L419-E421 PolarHBondContact O-N 3.27Å; L419-E421 VanDerWaalsContact O-N 3.17Å; E421-C424 WeakPolarHBondContact O-CB 3.24Å; E421-C424 PolarHBondContact O-N 2.9Å; E421-V425 WeakPolarHBondContact O-CG2 3.44Å; E421-V425 PolarHBondContact O-N 2.99Å; E421-R451 VanDerWaalsContact CD-NE 3.3Å; E421-R451 VanDerWaalsContact OE1-CD 3.25Å; E421-R451 WeakPolarHBondContact OE1-CD 2.96Å; E421-R451 WeakPolarHBondContact OE1-CG 3.18Å; E421-R451 IonicContact OE1-CZ 3.97Å; E421-R451 IonicContact OE1-NE 2.8Å; E421-R451 PolarHBondContact OE1-NE 3.35Å; E421-R451 IonicContact OE1-NH2 2.81Å; E421-R451 IonicContact OE2-CZ 3.46Å; E421-R451 IonicContact OE2-NE 3.44Å; E421-R451 PolarHBondContact OE2-NE 3.42Å; E421-R451 VanDerWaalsContact OE2-NE 3.15Å; E421-R451 IonicContact OE2-NH2 3.04Å; E421-R451 PolarHBondContact OE2-NH2 2.9Å |
| 422 | D | 84.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | 177.2 | -63.5 | -45.9 | 0 | 0 | 0 | 110.6 | K351 N355 Q415 L419 C424 V425 F426 L433 | K351-D422 WeakPolarHBondContact CE-OD1 3.27Å; K351-D422 VanDerWaalsContact NZ-CG 3.31Å; K351-D422 IonicContact NZ-OD1 3.09Å; K351-D422 PolarHBondContact NZ-OD1 2.77Å; K351-D422 IonicContact NZ-OD2 3.83Å; K351-D422 PolarHBondContact NZ-OD2 3.42Å; N355-D422 PolarHBondContact ND2-OD1 3.1Å; Q415-D422 PolarHBondContact NE2-OD2 3.02Å; L419-D422 WeakPolarHBondContact CB-OD2 3.36Å; L419-D422 PolarHBondContact N-OD2 3.25Å; L419-D422 WeakPolarHBondContact O-CB 3.47Å; L419-D422 PolarHBondContact O-N 2.69Å; D422-C424 PolarHBondContact O-N 2.79Å; D422-V425 CarbonylContact O-C 3.58Å; D422-V425 PolarHBondContact O-N 3.19Å; D422-V425 VanDerWaalsContact O-N 3.12Å; D422-F426 WeakPolarHBondContact O-CA 3.4Å; D422-F426 WeakPolarHBondContact O-CB 3.48Å; D422-F426 PolarHBondContact O-N 2.84Å; D422-L433 HydrophobicContact CB-CD1 3.97Å |
| 423 | A | 72.9 | Confident | 77.3 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L85 W87 L419 P420 V425 | L85-A423 HydrophobicContact CB-CB 4.28Å; L85-A423 HydrophobicContact CD1-CB 3.63Å; L85-A423 VanDerWaalsContact CD1-O 3.27Å; L85-A423 WeakPolarHBondContact CD1-O 3.31Å; L85-A423 HydrophobicContact CG-CB 4.31Å; W87-A423 PolarHBondContact NE1-O 2.74Å; L419-A423 PolarHBondContact O-N 3.47Å; P420-A423 PolarHBondContact O-N 3.34Å; A423-V425 VanDerWaalsContact C-N 3.35Å; A423-V425 PolarHBondContact O-N 2.9Å |
| 424 | C | 73.1 | Confident | 75.6 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.3 | -24.9 | 177.1 | -66 | 0 | 0 | 0 | 0 | 114.4 | R172 P420 E421 D422 | R172-C424 PolarHBondContact NH1-O 3.47Å; R172-C424 PolarHBondContact NH2-O 2.99Å; P420-C424 PolarHBondContact O-N 3.09Å; P420-C424 PolarHBondContact O-SG 3.01Å; P420-C424 VanDerWaalsContact O-SG 3.37Å; E421-C424 WeakPolarHBondContact O-CB 3.24Å; E421-C424 PolarHBondContact O-N 2.9Å; D422-C424 PolarHBondContact O-N 2.79Å |
| 425 | V | 77.9 | Confident | 74 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -123 | 11.9 | -174.4 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | I281 S285 V352 E421 D422 A423 D427 I428 L429 | I281-V425 HydrophobicContact CG2-CG1 4.04Å; S285-V425 WeakPolarHBondContact OG-CG1 3.28Å; V352-V425 HydrophobicContact CG1-CG1 3.98Å; V352-V425 HydrophobicContact CG1-CG2 4.21Å; V352-V425 HydrophobicContact CG2-CG1 4.4Å; V352-V425 HydrophobicContact CG2-CG2 4.18Å; E421-V425 WeakPolarHBondContact O-CG2 3.44Å; E421-V425 PolarHBondContact O-N 2.99Å; D422-V425 CarbonylContact O-C 3.58Å; D422-V425 PolarHBondContact O-N 3.19Å; D422-V425 VanDerWaalsContact O-N 3.12Å; A423-V425 VanDerWaalsContact C-N 3.35Å; A423-V425 PolarHBondContact O-N 2.9Å; V425-D427 PolarHBondContact O-N 2.8Å; V425-I428 HydrophobicContact CB-CD1 4.43Å; V425-I428 WeakPolarHBondContact O-CB 3.44Å; V425-I428 PolarHBondContact O-N 3.45Å; V425-I428 VanDerWaalsContact O-N 3.16Å; V425-L429 HydrophobicContact CB-CD1 4.23Å; V425-L429 HydrophobicContact CB-CG 4.34Å; V425-L429 HydrophobicContact CG2-CD1 3.48Å; V425-L429 VanDerWaalsContact CG2-CD1 3.48Å; V425-L429 HydrophobicContact CG2-CG 4.03Å; V425-L429 PolarHBondContact O-N 3.15Å |
| 426 | F | 75.3 | Confident | 72.6 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | -170.4 | 177.9 | -87.5 | 0 | 0 | 0 | 113.3 | W87 D422 I428 K430 L431 L433 | W87-F426 HydrophobicContact CB-CD1 3.14Å; W87-F426 HydrophobicContact CB-CE1 3.08Å; W87-F426 HydrophobicContact CB-CE2 4.45Å; W87-F426 HydrophobicContact CB-CG 3.91Å; W87-F426 HydrophobicContact CB-CZ 3.78Å; W87-F426 AromaticContact CD1-CD1 3.48Å; W87-F426 VanDerWaalsContact CD1-CD1 3.48Å; W87-F426 AromaticContact CD1-CG 3.4Å; W87-F426 VanDerWaalsContact CD1-CG 3.4Å; W87-F426 HydrophobicContact CD2-CB 4.48Å; W87-F426 AromaticContact CD2-CD1 3.89Å; W87-F426 HydrophobicContact CD2-CD1 3.89Å; W87-F426 HydrophobicContact CD2-CG 4.45Å; W87-F426 HydrophobicContact CE3-CD1 4.44Å; W87-F426 HydrophobicContact CG-CB 4.12Å; W87-F426 AromaticContact CG-CD1 3.25Å; W87-F426 HydrophobicContact CG-CD1 3.25Å; W87-F426 AromaticContact CG-CE1 3.79Å; W87-F426 HydrophobicContact CG-CE1 3.79Å; W87-F426 AromaticContact CG-CG 3.72Å; W87-F426 HydrophobicContact CG-CG 3.72Å; W87-F426 AromaticContact NE1-CG 3.96Å; D422-F426 WeakPolarHBondContact O-CA 3.4Å; D422-F426 WeakPolarHBondContact O-CB 3.48Å; D422-F426 PolarHBondContact O-N 2.84Å; F426-I428 PolarHBondContact O-N 2.9Å; F426-K430 WeakPolarHBondContact O-CA 3.39Å; F426-K430 PolarHBondContact O-N 3.35Å; F426-L431 WeakPolarHBondContact CE2-O 3.21Å; F426-L433 HydrophobicContact CD2-CD1 4.2Å; F426-L433 HydrophobicContact CE2-CD1 4.49Å |
| 427 | D | 70.7 | Confident | 71.1 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -27.3 | 178.2 | 55 | -30.7 | 0 | 0 | 0 | 112.9 | R172 V425 K430 | R172-D427 IonicContact CZ-OD1 2.65Å; R172-D427 IonicContact CZ-OD2 3.03Å; R172-D427 VanDerWaalsContact NE-CG 3.34Å; R172-D427 IonicContact NE-OD1 3.94Å; R172-D427 PolarHBondContact NE-OD1 3.01Å; R172-D427 VanDerWaalsContact NE-OD1 3.13Å; R172-D427 IonicContact NE-OD2 3.71Å; R172-D427 PolarHBondContact NE-OD2 3.32Å; R172-D427 IonicContact NH2-OD1 3.98Å; R172-D427 PolarHBondContact NH2-OD1 2.91Å; R172-D427 IonicContact NH2-OD2 3.32Å; R172-D427 PolarHBondContact NH2-OD2 3.35Å; R172-D427 VanDerWaalsContact NH2-OD2 3.16Å; V425-D427 PolarHBondContact O-N 2.8Å; D427-K430 WeakPolarHBondContact O-CE 3.44Å; D427-K430 WeakPolarHBondContact O-CG 3.16Å |
| 428 | I | 76.4 | Confident | 70.1 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.9 | -60.2 | 175 | -43.3 | -176.2 | 0 | 0 | 0 | 109.3 | S285 M288 E289 V425 F426 K430 | S285-I428 VanDerWaalsContact CB-CD1 3.44Å; M288-I428 HydrophobicContact CB-CG2 3.73Å; M288-I428 HydrophobicContact SD-CG2 4.48Å; E289-I428 HydrophobicContact CG-CD1 3.93Å; E289-I428 HydrophobicContact CG-CG1 3.97Å; E289-I428 HydrophobicContact CG-CG2 4.15Å; E289-I428 WeakPolarHBondContact OE1-CG1 3.19Å; V425-I428 HydrophobicContact CB-CD1 4.43Å; V425-I428 WeakPolarHBondContact O-CB 3.44Å; V425-I428 PolarHBondContact O-N 3.45Å; V425-I428 VanDerWaalsContact O-N 3.16Å; F426-I428 PolarHBondContact O-N 2.9Å; I428-K430 PolarHBondContact O-N 3Å |
| 429 | L | 79.3 | Confident | 68.7 | Low | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -81 | -18.7 | -170.8 | -55.1 | -178.3 | 0 | 0 | 0 | 113.3 | M288 N355 W356 L359 V425 L431 | M288-L429 HydrophobicContact SD-CD2 3.96Å; N355-L429 HydrophobicContact CB-CD1 3.46Å; N355-L429 VanDerWaalsContact CB-CD1 3.46Å; W356-L429 HydrophobicContact CB-CD2 3.73Å; W356-L429 HydrophobicContact CG-CD2 4.1Å; L359-L429 HydrophobicContact CD1-CB 4.04Å; L359-L429 HydrophobicContact CD1-CD2 4.4Å; L359-L429 WeakPolarHBondContact CD1-O 3.13Å; V425-L429 HydrophobicContact CB-CD1 4.23Å; V425-L429 HydrophobicContact CB-CG 4.34Å; V425-L429 HydrophobicContact CG2-CD1 3.48Å; V425-L429 VanDerWaalsContact CG2-CD1 3.48Å; V425-L429 HydrophobicContact CG2-CG 4.03Å; V425-L429 PolarHBondContact O-N 3.15Å; L429-L431 HydrophobicContact CB-CD1 4.09Å; L429-L431 HydrophobicContact CB-CG 3.88Å; L429-L431 HydrophobicContact CD1-CD1 4.33Å; L429-L431 PolarHBondContact O-N 3.25Å |
| 430 | K | 72.1 | Confident | 67.7 | Low | 137 Ų | 137 | 61.8 Ų | 61.8 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | trans | 44.5 | 33.9 | 179.6 | -61.5 | 173.6 | -172.6 | 152.6 | 0 | 113.5 | F426 D427 I428 R432 | F426-K430 WeakPolarHBondContact O-CA 3.39Å; F426-K430 PolarHBondContact O-N 3.35Å; D427-K430 WeakPolarHBondContact O-CE 3.44Å; D427-K430 WeakPolarHBondContact O-CG 3.16Å; I428-K430 PolarHBondContact O-N 3Å; K430-R432 PolarHBondContact O-N 3.18Å | ||
| 431 | L | 70.3 | Confident | 67.1 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | trans | -62.6 | 135.6 | -177 | -68.3 | 165.9 | 0 | 0 | 0 | 109.6 | N355 L359 F426 L429 L433 | N355-L431 HydrophobicContact CB-CD1 3.82Å; N355-L431 WeakPolarHBondContact OD1-CD1 3.24Å; L359-L431 HydrophobicContact CD1-CD2 3.86Å; L359-L431 HydrophobicContact CD1-CG 4.45Å; L359-L431 HydrophobicContact CD2-CD2 4.12Å; L359-L431 HydrophobicContact CG-CD2 4.17Å; F426-L431 WeakPolarHBondContact CE2-O 3.21Å; L429-L431 HydrophobicContact CB-CD1 4.09Å; L429-L431 HydrophobicContact CB-CG 3.88Å; L429-L431 HydrophobicContact CD1-CD1 4.33Å; L429-L431 PolarHBondContact O-N 3.25Å; L431-L433 HydrophobicContact CB-CG 4.13Å; L431-L433 PolarHBondContact O-N 3.21Å | ||
| 432 | R | 64.7 | Low | 66.9 | Low | 235 Ų | 235 | 70.9 Ų | 70.9 | 89% | 0.887 | 32% | 0.318 | S | S | * | . | trans | -72.8 | 70 | 172.2 | -67.6 | -173.7 | -178.7 | 173.6 | 1.2 | 110.7 | K430 H434 | K430-R432 PolarHBondContact O-N 3.18Å; R432-H434 PolarHBondContact O-N 3.14Å | ||
| 433 | L | 61.7 | Low | 67 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | trans | -71.5 | 123.9 | 170.8 | -62.4 | 170.5 | 0 | 0 | 0 | 107.7 | Q415 S418 D422 F426 L431 Q435 | Q415-L433 HydrophobicContact CB-CD2 4.23Å; Q415-L433 HydrophobicContact CG-CD2 4.03Å; S418-L433 VanDerWaalsContact OG-CD1 3.32Å; S418-L433 WeakPolarHBondContact OG-CD1 3.33Å; D422-L433 HydrophobicContact CB-CD1 3.97Å; F426-L433 HydrophobicContact CD2-CD1 4.2Å; F426-L433 HydrophobicContact CE2-CD1 4.49Å; L431-L433 HydrophobicContact CB-CG 4.13Å; L431-L433 PolarHBondContact O-N 3.21Å; L433-Q435 PolarHBondContact O-N 3.3Å; L433-Q435 VanDerWaalsContact O-N 3.12Å | ||
| 434 | H | 54.3 | Low | 67.5 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 56% | 0.56 | 35% | 0.353 | S | S | * | . | trans | -67.7 | 112.8 | 174.4 | -74.2 | 36.7 | 0 | 0 | 0 | 106.7 | E416 R432 R436 | E416-H434 CarbonylContact C-O 3.58Å; E416-H434 HydrophobicContact CB-CB 4.47Å; E416-H434 HydrophobicContact CG-CB 4.46Å; R432-H434 PolarHBondContact O-N 3.14Å; H434-R436 VanDerWaalsContact C-N 3.32Å; H434-R436 PolarHBondContact O-N 3.49Å | ||
| 435 | Q | 52.1 | Low | 68.2 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 29% | 0.29 | 35% | 0.346 | S | S | . | . | trans | -85.6 | 70.3 | -169.3 | -70.4 | 178.3 | -6.9 | 0 | 0 | 111.6 | N88 L433 V437 | N88-Q435 VanDerWaalsContact CB-OE1 3.3Å; N88-Q435 PolarHBondContact ND2-NE2 3.09Å; N88-Q435 PolarHBondContact ND2-OE1 3.28Å; N88-Q435 PolarHBondContact OD1-NE2 3.05Å; L433-Q435 PolarHBondContact O-N 3.3Å; L433-Q435 VanDerWaalsContact O-N 3.12Å; Q435-V437 PolarHBondContact O-N 3.43Å; Q435-V437 VanDerWaalsContact O-N 3.11Å | ||
| 436 | R | 55.2 | Low | 68.8 | Low | 142 Ų | 142 | 77.4 Ų | 77.4 | 54% | 0.536 | 35% | 0.346 | S | S | . | . | trans | -67 | 114.2 | 161.4 | -89.9 | -176.1 | 166.7 | 162.2 | -6 | 107.8 | E416 H434 I438 | E416-R436 WeakPolarHBondContact OE2-CD 3.31Å; E416-R436 IonicContact OE2-CZ 2.81Å; E416-R436 IonicContact OE2-NE 2.73Å; E416-R436 IonicContact OE2-NH1 3.17Å; E416-R436 PolarHBondContact OE2-NH1 3.23Å; H434-R436 VanDerWaalsContact C-N 3.32Å; H434-R436 PolarHBondContact O-N 3.49Å; R436-I438 PolarHBondContact O-N 3.23Å | ||
| 437 | V | 49.6 | Very low | 69.4 | Low | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | trans | -60.5 | 101 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | Q435 T439 | Q435-V437 PolarHBondContact O-N 3.43Å; Q435-V437 VanDerWaalsContact O-N 3.11Å; V437-T439 HydrophobicContact CG1-CG2 4.36Å; V437-T439 PolarHBondContact O-N 3.25Å; V437-T439 VanDerWaalsContact O-N 3.14Å | ||
| 438 | I | 56.5 | Low | 70.3 | Confident | 24 Ų | 24 | 75.5 Ų | 75.5 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | trans | -72.5 | 110.5 | 169.6 | -57 | -168.6 | 0 | 0 | 0 | 106.7 | T83 L405 V417 R436 R440 M442 | T83-I438 VanDerWaalsContact CB-O 3.31Å; T83-I438 WeakPolarHBondContact CB-O 3.31Å; T83-I438 WeakPolarHBondContact CG2-O 3.44Å; T83-I438 PolarHBondContact OG1-O 2.86Å; L405-I438 HydrophobicContact CD1-CD1 3.99Å; V417-I438 HydrophobicContact CB-CD1 3.96Å; V417-I438 HydrophobicContact CB-CG1 4.42Å; V417-I438 HydrophobicContact CG1-CD1 3.21Å; V417-I438 HydrophobicContact CG1-CG1 3.83Å; V417-I438 HydrophobicContact CG2-CD1 3.5Å; V417-I438 HydrophobicContact CG2-CG1 3.69Å; R436-I438 PolarHBondContact O-N 3.23Å; I438-R440 HydrophobicContact CG2-CB 4.15Å; I438-R440 WeakPolarHBondContact CG2-O 3.18Å; I438-R440 PolarHBondContact O-N 3.18Å; I438-M442 HydrophobicContact CD1-CG 4.05Å; I438-M442 HydrophobicContact CD1-SD 3.39Å; I438-M442 WeakPolarHBondContact CD1-SD 3.1Å | ||
| 439 | T | 48.2 | Very low | 71.1 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | trans | -77.3 | -14 | 172.6 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | V437 | V437-T439 HydrophobicContact CG1-CG2 4.36Å; V437-T439 PolarHBondContact O-N 3.25Å; V437-T439 VanDerWaalsContact O-N 3.14Å | ||
| 440 | R | 62.6 | Low | 71.7 | Confident | 151 Ų | 151 | 75.2 Ų | 75.2 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -100.7 | 136.5 | -177.2 | -62.1 | -178.4 | -179.7 | 173 | 3 | 112.5 | I438 M442 | I438-R440 HydrophobicContact CG2-CB 4.15Å; I438-R440 WeakPolarHBondContact CG2-O 3.18Å; I438-R440 PolarHBondContact O-N 3.18Å; R440-M442 PolarHBondContact O-N 3.29Å |
| 441 | R | 68.4 | Low | 72.7 | Confident | 239 Ų | 239 | 70.4 Ų | 70.4 | 90% | 0.902 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 121.4 | 168.6 | -167.7 | 175.7 | -178.5 | -174.4 | -1 | 109.4 | ||
| 442 | M | 79.5 | Confident | 73.8 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 16% | 0.163 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 144.8 | 170.7 | -66 | -173.7 | 65.2 | 0 | 0 | 110.5 | I402 L405 I438 R440 A446 V447 L450 | I402-M442 HydrophobicContact CG2-CE 3.93Å; L405-M442 HydrophobicContact CD1-SD 4.45Å; I438-M442 HydrophobicContact CD1-CG 4.05Å; I438-M442 HydrophobicContact CD1-SD 3.39Å; I438-M442 WeakPolarHBondContact CD1-SD 3.1Å; R440-M442 PolarHBondContact O-N 3.29Å; M442-A446 HydrophobicContact CB-CB 4.5Å; M442-A446 HydrophobicContact CE-CB 3.61Å; M442-V447 HydrophobicContact CB-CG2 3.97Å; M442-L450 HydrophobicContact CE-CD1 3.61Å; M442-L450 HydrophobicContact CE-CG 4.3Å; M442-L450 HydrophobicContact SD-CD1 4.24Å |
| 443 | S | 86 | Confident | 75.2 | Confident | 24 Ų | 24 | 58 Ų | 58 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 154.2 | 170.4 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | E401 T445 A446 V447 | E401-S443 WeakPolarHBondContact OE2-CB 3.42Å; E401-S443 PolarHBondContact OE2-N 3.06Å; E401-S443 PolarHBondContact OE2-OG 3.42Å; S443-T445 PolarHBondContact O-N 2.94Å; S443-A446 WeakPolarHBondContact O-CB 3.22Å; S443-A446 PolarHBondContact O-N 3.34Å; S443-A446 PolarHBondContact OG-N 3.37Å; S443-V447 WeakPolarHBondContact O-CG2 3.43Å; S443-V447 PolarHBondContact O-N 3.47Å |
| 444 | E | 84.4 | Confident | 76.7 | Confident | 145 Ų | 145 | 57.3 Ų | 57.3 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.1 | -34.8 | 176.1 | -65.5 | -177.2 | 166.6 | 0 | 0 | 112.4 | V447 C448 | E444-V447 PolarHBondContact O-N 3.22Å; E444-C448 VanDerWaalsContact O-CB 3.29Å; E444-C448 WeakPolarHBondContact O-CB 3.11Å; E444-C448 PolarHBondContact O-N 3.36Å |
| 445 | T | 87.5 | Confident | 78.5 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.6 | -44.3 | 0 | 0 | 0 | 0 | 112.1 | L338 Q342 I398 S443 C448 F449 | L338-T445 HydrophobicContact CD2-CG2 3.58Å; L338-T445 HydrophobicContact CG-CG2 3.8Å; Q342-T445 PolarHBondContact OE1-OG1 3Å; I398-T445 HydrophobicContact CD1-CG2 3.82Å; S443-T445 PolarHBondContact O-N 2.94Å; T445-C448 PolarHBondContact O-N 2.94Å; T445-F449 PolarHBondContact O-N 2.91Å |
| 446 | A | 89.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E401 I402 M442 S443 F449 L450 | E401-A446 HydrophobicContact CB-CB 4.14Å; E401-A446 VanDerWaalsContact OE2-CB 3.24Å; E401-A446 WeakPolarHBondContact OE2-CB 3.34Å; I402-A446 HydrophobicContact CG2-CB 4Å; M442-A446 HydrophobicContact CB-CB 4.5Å; M442-A446 HydrophobicContact CE-CB 3.61Å; S443-A446 WeakPolarHBondContact O-CB 3.22Å; S443-A446 PolarHBondContact O-N 3.34Å; S443-A446 PolarHBondContact OG-N 3.37Å; A446-F449 WeakPolarHBondContact O-CB 3.4Å; A446-F449 PolarHBondContact O-N 2.82Å; A446-L450 PolarHBondContact O-N 3.48Å; A446-L450 VanDerWaalsContact O-N 3.11Å |
| 447 | V | 88.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | L419 P420 M442 S443 E444 F449 L450 R451 | L419-V447 HydrophobicContact CB-CG1 4.39Å; L419-V447 HydrophobicContact CD2-CG1 4.02Å; P420-V447 HydrophobicContact CG-CG1 4.15Å; M442-V447 HydrophobicContact CB-CG2 3.97Å; S443-V447 WeakPolarHBondContact O-CG2 3.43Å; S443-V447 PolarHBondContact O-N 3.47Å; E444-V447 PolarHBondContact O-N 3.22Å; V447-F449 VanDerWaalsContact C-N 3.33Å; V447-F449 PolarHBondContact O-N 3.47Å; V447-L450 PolarHBondContact O-N 3.48Å; V447-R451 WeakPolarHBondContact O-CB 3.47Å; V447-R451 PolarHBondContact O-N 3.31Å |
| 448 | C | 90.8 | Very high | 84 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 112 | L338 Q342 E444 T445 L450 R451 I452 | L338-C448 HydrophobicContact CD1-CB 4.32Å; Q342-C448 HydrophobicContact CB-CB 4.01Å; E444-C448 VanDerWaalsContact O-CB 3.29Å; E444-C448 WeakPolarHBondContact O-CB 3.11Å; E444-C448 PolarHBondContact O-N 3.36Å; T445-C448 PolarHBondContact O-N 2.94Å; C448-L450 PolarHBondContact O-N 3.16Å; C448-R451 VanDerWaalsContact O-CB 3.27Å; C448-R451 WeakPolarHBondContact O-CB 3.32Å; C448-R451 PolarHBondContact O-N 3.49Å; C448-I452 WeakPolarHBondContact O-CG1 3.37Å; C448-I452 PolarHBondContact O-N 3.01Å |
| 449 | F | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 175.7 | -176.8 | -78 | 0 | 0 | 0 | 111.8 | L338 L388 I391 N392 I398 I402 F406 T445 A446 V447 R451 I452 C453 | L338-F449 HydrophobicContact CD1-CB 4.31Å; L338-F449 HydrophobicContact CD2-CB 4.31Å; L338-F449 HydrophobicContact CD2-CD2 4.13Å; L388-F449 HydrophobicContact CB-CE2 3.97Å; L388-F449 HydrophobicContact CB-CZ 3.83Å; L388-F449 HydrophobicContact CD2-CD2 3.74Å; L388-F449 HydrophobicContact CD2-CE1 4.49Å; L388-F449 HydrophobicContact CD2-CE2 3.49Å; L388-F449 VanDerWaalsContact CD2-CE2 3.49Å; L388-F449 HydrophobicContact CD2-CG 4.37Å; L388-F449 HydrophobicContact CD2-CZ 3.9Å; L388-F449 HydrophobicContact CG-CE2 4.33Å; L388-F449 HydrophobicContact CG-CZ 4.41Å; L388-F449 WeakPolarHBondContact O-CE2 3.29Å; I391-F449 HydrophobicContact CB-CE2 4.12Å; I391-F449 HydrophobicContact CD1-CE2 4.44Å; I391-F449 HydrophobicContact CG2-CD2 4.22Å; I391-F449 HydrophobicContact CG2-CE2 4.03Å; N392-F449 HydrophobicContact CB-CZ 4.41Å; I398-F449 HydrophobicContact CG2-CD2 4.34Å; I402-F449 HydrophobicContact CD1-CD1 3.62Å; I402-F449 HydrophobicContact CD1-CE1 3.33Å; I402-F449 HydrophobicContact CD1-CE2 4.34Å; I402-F449 HydrophobicContact CD1-CG 4.27Å; I402-F449 HydrophobicContact CD1-CZ 3.73Å; F406-F449 HydrophobicContact CB-CE1 4.23Å; F406-F449 HydrophobicContact CD1-CE1 4.5Å; F406-F449 HydrophobicContact CD1-CZ 4.41Å; F406-F449 AromaticContact CD2-CE1 3.65Å; F406-F449 HydrophobicContact CD2-CE1 3.65Å; F406-F449 HydrophobicContact CD2-CZ 4.06Å; F406-F449 HydrophobicContact CE1-CZ 4.46Å; F406-F449 HydrophobicContact CE2-CE1 4.09Å; F406-F449 HydrophobicContact CE2-CZ 4.09Å; F406-F449 AromaticContact CG-CE1 3.87Å; F406-F449 HydrophobicContact CG-CE1 3.87Å; F406-F449 HydrophobicContact CG-CZ 4.2Å; F406-F449 HydrophobicContact CZ-CZ 4.3Å; T445-F449 PolarHBondContact O-N 2.91Å; A446-F449 WeakPolarHBondContact O-CB 3.4Å; A446-F449 PolarHBondContact O-N 2.82Å; V447-F449 VanDerWaalsContact C-N 3.33Å; V447-F449 PolarHBondContact O-N 3.47Å; F449-R451 VanDerWaalsContact C-N 3.34Å; F449-R451 PolarHBondContact O-N 3.12Å; F449-I452 PolarHBondContact O-N 2.93Å; F449-C453 VanDerWaalsContact CE1-SG 3.6Å; F449-C453 PolarHBondContact O-N 2.9Å; F449-C453 VanDerWaalsContact O-N 3.09Å; F449-C453 PolarHBondContact O-SG 3.49Å |
| 450 | L | 92.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.7 | -35.9 | 177.8 | -67.3 | -177.3 | 0 | 0 | 0 | 112.3 | I402 L405 W413 L419 M442 A446 V447 C448 I452 C453 C454 | I402-L450 HydrophobicContact CG2-CG 4.5Å; L405-L450 HydrophobicContact CB-CD2 4.41Å; L405-L450 HydrophobicContact CD1-CD1 4.37Å; W413-L450 HydrophobicContact CZ2-CD2 4.09Å; L419-L450 HydrophobicContact CD1-CB 4.34Å; L419-L450 HydrophobicContact CD2-CB 3.83Å; L419-L450 HydrophobicContact CD2-CD1 3.98Å; M442-L450 HydrophobicContact CE-CD1 3.61Å; M442-L450 HydrophobicContact CE-CG 4.3Å; M442-L450 HydrophobicContact SD-CD1 4.24Å; A446-L450 PolarHBondContact O-N 3.48Å; A446-L450 VanDerWaalsContact O-N 3.11Å; V447-L450 PolarHBondContact O-N 3.48Å; C448-L450 PolarHBondContact O-N 3.16Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 3.45Å; L450-C453 WeakPolarHBondContact O-CB 3.39Å; L450-C453 PolarHBondContact O-N 3.47Å; L450-C453 VanDerWaalsContact O-N 3.13Å; L450-C454 PolarHBondContact O-N 3.48Å; L450-C454 PolarHBondContact O-SG 3.2Å |
| 451 | R | 92.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.7 | -46 | 172.1 | -118.5 | 171.3 | -120.9 | 132.2 | -7.4 | 112.1 | K351 L419 E421 V447 C448 F449 C453 C454 L455 | K351-R451 HydrophobicContact CG-CG 4.41Å; L419-R451 HydrophobicContact CD1-CB 4.16Å; L419-R451 HydrophobicContact CD1-CG 3.75Å; E421-R451 VanDerWaalsContact CD-NE 3.3Å; E421-R451 VanDerWaalsContact OE1-CD 3.25Å; E421-R451 WeakPolarHBondContact OE1-CD 2.96Å; E421-R451 WeakPolarHBondContact OE1-CG 3.18Å; E421-R451 IonicContact OE1-CZ 3.97Å; E421-R451 IonicContact OE1-NE 2.8Å; E421-R451 PolarHBondContact OE1-NE 3.35Å; E421-R451 IonicContact OE1-NH2 2.81Å; E421-R451 IonicContact OE2-CZ 3.46Å; E421-R451 IonicContact OE2-NE 3.44Å; E421-R451 PolarHBondContact OE2-NE 3.42Å; E421-R451 VanDerWaalsContact OE2-NE 3.15Å; E421-R451 IonicContact OE2-NH2 3.04Å; E421-R451 PolarHBondContact OE2-NH2 2.9Å; V447-R451 WeakPolarHBondContact O-CB 3.47Å; V447-R451 PolarHBondContact O-N 3.31Å; C448-R451 VanDerWaalsContact O-CB 3.27Å; C448-R451 WeakPolarHBondContact O-CB 3.32Å; C448-R451 PolarHBondContact O-N 3.49Å; F449-R451 VanDerWaalsContact C-N 3.34Å; F449-R451 PolarHBondContact O-N 3.12Å; R451-C453 VanDerWaalsContact C-N 3.33Å; R451-C454 WeakPolarHBondContact O-CB 3.18Å; R451-C454 PolarHBondContact O-N 3.36Å; R451-L455 WeakPolarHBondContact O-CG 2.96Å; R451-L455 PolarHBondContact O-N 3.01Å |
| 452 | I | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 177.2 | -66.5 | 161.7 | 0 | 0 | 0 | 110.5 | L338 L341 L382 P383 L388 C448 F449 L450 C454 L455 R456 | L338-I452 HydrophobicContact CD1-CD1 3.47Å; L338-I452 VanDerWaalsContact CD1-CD1 3.47Å; L341-I452 HydrophobicContact CD1-CD1 3.65Å; L382-I452 HydrophobicContact CB-CG2 4.2Å; L382-I452 HydrophobicContact CD1-CG2 4.47Å; P383-I452 HydrophobicContact CG-CD1 4.13Å; L388-I452 HydrophobicContact CD1-CG2 4.09Å; L388-I452 HydrophobicContact CD2-CG2 4.16Å; C448-I452 WeakPolarHBondContact O-CG1 3.37Å; C448-I452 PolarHBondContact O-N 3.01Å; F449-I452 PolarHBondContact O-N 2.93Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 3.45Å; I452-C454 VanDerWaalsContact C-N 3.33Å; I452-C454 PolarHBondContact O-N 2.85Å; I452-L455 PolarHBondContact O-N 2.77Å; I452-R456 WeakPolarHBondContact O-CG 3.41Å; I452-R456 PolarHBondContact O-N 2.83Å |
| 453 | C | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 174.7 | -61 | 0 | 0 | 0 | 0 | 111.1 | L410 W413 F449 L450 R451 R456 K457 | L410-C453 HydrophobicContact CD1-CB 4.39Å; L410-C453 HydrophobicContact CD2-CB 4.11Å; W413-C453 HydrophobicContact CD2-CB 4.43Å; W413-C453 HydrophobicContact CE3-CB 4.13Å; W413-C453 HydrophobicContact CH2-CB 3.97Å; W413-C453 HydrophobicContact CZ2-CB 4.28Å; W413-C453 HydrophobicContact CZ3-CB 3.89Å; F449-C453 VanDerWaalsContact CE1-SG 3.6Å; F449-C453 PolarHBondContact O-N 2.9Å; F449-C453 VanDerWaalsContact O-N 3.09Å; F449-C453 PolarHBondContact O-SG 3.49Å; L450-C453 WeakPolarHBondContact O-CB 3.39Å; L450-C453 PolarHBondContact O-N 3.47Å; L450-C453 VanDerWaalsContact O-N 3.13Å; R451-C453 VanDerWaalsContact C-N 3.33Å; C453-R456 PolarHBondContact O-N 2.6Å; C453-K457 WeakPolarHBondContact O-CB 3.23Å; C453-K457 PolarHBondContact O-N 3.08Å |
| 454 | C | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | K351 Q415 L450 R451 I452 R456 K457 Y458 | K351-C454 HydrophobicContact CG-CB 4.17Å; Q415-C454 PolarHBondContact OE1-SG 2.84Å; L450-C454 PolarHBondContact O-N 3.48Å; L450-C454 PolarHBondContact O-SG 3.2Å; R451-C454 WeakPolarHBondContact O-CB 3.18Å; R451-C454 PolarHBondContact O-N 3.36Å; I452-C454 VanDerWaalsContact C-N 3.33Å; I452-C454 PolarHBondContact O-N 2.85Å; C454-R456 VanDerWaalsContact C-N 3.32Å; C454-R456 PolarHBondContact O-N 3.04Å; C454-K457 WeakPolarHBondContact O-CB 3.42Å; C454-K457 PolarHBondContact O-N 2.88Å; C454-K457 VanDerWaalsContact O-N 3.1Å; C454-Y458 HydrophobicContact CB-CE2 3.83Å; C454-Y458 WeakPolarHBondContact O-CD2 3.23Å; C454-Y458 WeakPolarHBondContact O-CE2 3.31Å; C454-Y458 PolarHBondContact O-N 3.46Å |
| 455 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | -179.2 | -68.7 | 174.9 | 0 | 0 | 0 | 113 | L347 L350 K351 L382 R451 I452 Y458 A459 | L347-L455 HydrophobicContact CD2-CD1 3.92Å; L350-L455 HydrophobicContact CB-CD2 4.38Å; L350-L455 HydrophobicContact CD2-CD1 4.34Å; L350-L455 HydrophobicContact CD2-CD2 3.85Å; L350-L455 HydrophobicContact CG-CD2 3.81Å; K351-L455 HydrophobicContact CB-CD2 4.44Å; L382-L455 HydrophobicContact CD1-CB 3.89Å; L382-L455 HydrophobicContact CD1-CD1 3.86Å; R451-L455 WeakPolarHBondContact O-CG 2.96Å; R451-L455 PolarHBondContact O-N 3.01Å; I452-L455 PolarHBondContact O-N 2.77Å; L455-Y458 HydrophobicContact CD2-CD2 4.43Å; L455-A459 PolarHBondContact O-N 3.41Å |
| 456 | R | 91.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 172.6 | -69.2 | -161.7 | 80.7 | 83.4 | 5.6 | 111.9 | V379 P383 L410 I452 C453 C454 Y458 A459 H460 | V379-R456 PolarHBondContact O-NH1 3.46Å; P383-R456 VanDerWaalsContact O-CD 3.31Å; P383-R456 WeakPolarHBondContact O-CD 3.34Å; P383-R456 PolarHBondContact O-NH1 2.64Å; L410-R456 HydrophobicContact CD1-CB 3.74Å; L410-R456 HydrophobicContact CD1-CG 4.39Å; I452-R456 WeakPolarHBondContact O-CG 3.41Å; I452-R456 PolarHBondContact O-N 2.83Å; C453-R456 PolarHBondContact O-N 2.6Å; C454-R456 VanDerWaalsContact C-N 3.32Å; C454-R456 PolarHBondContact O-N 3.04Å; R456-Y458 VanDerWaalsContact C-N 3.32Å; R456-Y458 PolarHBondContact O-N 2.89Å; R456-A459 WeakPolarHBondContact O-CB 3.46Å; R456-A459 PolarHBondContact O-N 3.48Å; R456-A459 VanDerWaalsContact O-N 3.09Å; R456-H460 PolarHBondContact O-CD2 3.11Å; R456-H460 PolarHBondContact O-N 2.99Å |
| 457 | K | 91.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.057 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.9 | -48 | 175.5 | -171.8 | -159 | -175.5 | -162.2 | 0 | 110.8 | W413 E414 C453 C454 A459 H460 E461 | W413-K457 HydrophobicContact CE3-CB 4.48Å; W413-K457 HydrophobicContact CE3-CD 4.31Å; W413-K457 VanDerWaalsContact O-CD 3.23Å; W413-K457 WeakPolarHBondContact O-CD 3.35Å; W413-K457 WeakPolarHBondContact O-CE 3.3Å; E414-K457 IonicContact OE1-NZ 3.17Å; E414-K457 PolarHBondContact OE1-NZ 3.49Å; E414-K457 IonicContact OE2-NZ 2.96Å; E414-K457 PolarHBondContact OE2-NZ 3.4Å; C453-K457 WeakPolarHBondContact O-CB 3.23Å; C453-K457 PolarHBondContact O-N 3.08Å; C454-K457 WeakPolarHBondContact O-CB 3.42Å; C454-K457 PolarHBondContact O-N 2.88Å; C454-K457 VanDerWaalsContact O-N 3.1Å; K457-A459 VanDerWaalsContact C-N 3.29Å; K457-A459 PolarHBondContact O-N 3.19Å; K457-H460 CarbonylContact O-C 3.56Å; K457-H460 WeakPolarHBondContact O-CA 3.08Å; K457-H460 WeakPolarHBondContact O-CB 3.28Å; K457-H460 PolarHBondContact O-N 3.44Å; K457-E461 WeakPolarHBondContact CE-OE1 3.33Å; K457-E461 HydrophobicContact CG-CG 4.46Å; K457-E461 IonicContact NZ-OE1 2.73Å; K457-E461 PolarHBondContact NZ-OE1 3.21Å; K457-E461 VanDerWaalsContact NZ-OE1 3.09Å; K457-E461 PolarHBondContact O-N 3.43Å |
| 458 | Y | 89.9 | Confident | 87 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 176.8 | -62 | -51.1 | 0 | 0 | 0 | 112.4 | K351 C354 N355 Q358 C454 L455 R456 H460 E461 F462 | K351-Y458 HydrophobicContact CG-CE2 4.44Å; K351-Y458 PolarHBondContact NZ-OH 3.41Å; C354-Y458 HydrophobicContact CB-CD1 4.25Å; C354-Y458 HydrophobicContact CB-CD2 3.27Å; C354-Y458 HydrophobicContact CB-CE2 3.67Å; C354-Y458 HydrophobicContact CB-CG 3.65Å; N355-Y458 PolarHBondContact OD1-OH 2.81Å; Q358-Y458 VanDerWaalsContact OE1-CE1 3.3Å; C454-Y458 HydrophobicContact CB-CE2 3.83Å; C454-Y458 WeakPolarHBondContact O-CD2 3.23Å; C454-Y458 WeakPolarHBondContact O-CE2 3.31Å; C454-Y458 PolarHBondContact O-N 3.46Å; L455-Y458 HydrophobicContact CD2-CD2 4.43Å; R456-Y458 VanDerWaalsContact C-N 3.32Å; R456-Y458 PolarHBondContact O-N 2.89Å; Y458-H460 VanDerWaalsContact C-N 3.28Å; Y458-H460 PolarHBondContact O-N 3.49Å; Y458-E461 WeakPolarHBondContact CD1-OE2 3.44Å; Y458-E461 PolarHBondContact O-N 2.74Å; Y458-F462 HydrophobicContact CG-CZ 4.46Å; Y458-F462 VanDerWaalsContact O-CB 3.3Å; Y458-F462 WeakPolarHBondContact O-CB 3.5Å; Y458-F462 WeakPolarHBondContact O-CD2 3.29Å; Y458-F462 WeakPolarHBondContact O-CG 3.48Å; Y458-F462 PolarHBondContact O-N 3.28Å |
| 459 | A | 88.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | F375 V379 L455 R456 K457 M463 F479 | F375-A459 HydrophobicContact CE1-CB 3.96Å; F375-A459 HydrophobicContact CZ-CB 4.32Å; V379-A459 HydrophobicContact CG1-CB 3.85Å; V379-A459 HydrophobicContact CG2-CB 4.24Å; L455-A459 PolarHBondContact O-N 3.41Å; R456-A459 WeakPolarHBondContact O-CB 3.46Å; R456-A459 PolarHBondContact O-N 3.48Å; R456-A459 VanDerWaalsContact O-N 3.09Å; K457-A459 VanDerWaalsContact C-N 3.29Å; K457-A459 PolarHBondContact O-N 3.19Å; A459-M463 WeakPolarHBondContact O-CB 3.42Å; A459-M463 VanDerWaalsContact O-CG 3.29Å; A459-M463 WeakPolarHBondContact O-CG 3.25Å; A459-M463 PolarHBondContact O-N 2.84Å; A459-M463 VanDerWaalsContact O-N 3.13Å; A459-F479 HydrophobicContact CB-CD1 4.12Å; A459-F479 HydrophobicContact CB-CE1 3.59Å; A459-F479 HydrophobicContact CB-CE2 4.12Å; A459-F479 HydrophobicContact CB-CZ 3.61Å |
| 460 | H | 88.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 28.2 Ų | 28.2 | 12% | 0.116 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 171 | -73.4 | -75.5 | 0 | 0 | 0 | 113.7 | E385 R456 K457 Y458 M463 F479 | E385-H460 IonicContact OE1-CD2 3.71Å; E385-H460 IonicContact OE1-CE1 3.54Å; E385-H460 IonicContact OE1-NE2 3.01Å; E385-H460 PolarHBondContact OE1-NE2 3.3Å; R456-H460 PolarHBondContact O-CD2 3.11Å; R456-H460 PolarHBondContact O-N 2.99Å; K457-H460 CarbonylContact O-C 3.56Å; K457-H460 WeakPolarHBondContact O-CA 3.08Å; K457-H460 WeakPolarHBondContact O-CB 3.28Å; K457-H460 PolarHBondContact O-N 3.44Å; Y458-H460 VanDerWaalsContact C-N 3.28Å; Y458-H460 PolarHBondContact O-N 3.49Å; H460-M463 HydrophobicContact CB-CE 4.36Å; H460-M463 WeakPolarHBondContact ND1-CE 3.37Å; H460-F479 AromaticContact NE2-CZ 3.63Å |
| 461 | E | 86.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.093 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70 | -46.2 | 178.8 | -69.1 | 175.5 | 153.4 | 0 | 0 | 111.8 | Q358 K457 Y458 M463 R464 H465 | Q358-E461 VanDerWaalsContact CD-OE2 3.24Å; Q358-E461 PolarHBondContact NE2-OE1 3.44Å; Q358-E461 PolarHBondContact NE2-OE2 3.22Å; K457-E461 WeakPolarHBondContact CE-OE1 3.33Å; K457-E461 HydrophobicContact CG-CG 4.46Å; K457-E461 IonicContact NZ-OE1 2.73Å; K457-E461 PolarHBondContact NZ-OE1 3.21Å; K457-E461 VanDerWaalsContact NZ-OE1 3.09Å; K457-E461 PolarHBondContact O-N 3.43Å; Y458-E461 WeakPolarHBondContact CD1-OE2 3.44Å; Y458-E461 PolarHBondContact O-N 2.74Å; E461-M463 VanDerWaalsContact C-N 3.29Å; E461-M463 PolarHBondContact O-N 3.49Å; E461-R464 VanDerWaalsContact O-CB 3.27Å; E461-R464 WeakPolarHBondContact O-CB 3.36Å; E461-R464 PolarHBondContact O-N 3.4Å; E461-H465 PolarHBondContact O-CD2 3.47Å |
| 462 | F | 87.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -34.6 | 178.7 | -62.4 | -18.8 | 0 | 0 | 0 | 112.3 | C354 L357 Q358 L364 W372 F375 Y458 R464 H465 T468 L470 | C354-F462 HydrophobicContact CB-CE2 4.36Å; C354-F462 HydrophobicContact CB-CZ 4.18Å; L357-F462 HydrophobicContact CB-CZ 4.18Å; Q358-F462 HydrophobicContact CB-CE1 4.37Å; L364-F462 HydrophobicContact CD1-CD1 3.77Å; L364-F462 HydrophobicContact CD1-CD2 4.36Å; L364-F462 HydrophobicContact CD1-CE1 3.67Å; L364-F462 HydrophobicContact CD1-CE2 4.27Å; L364-F462 HydrophobicContact CD1-CG 4.13Å; L364-F462 HydrophobicContact CD1-CZ 3.93Å; L364-F462 HydrophobicContact CD2-CD1 3.82Å; L364-F462 HydrophobicContact CD2-CE1 4.16Å; L364-F462 HydrophobicContact CG-CD1 4.49Å; W372-F462 HydrophobicContact CH2-CB 4.11Å; W372-F462 HydrophobicContact CH2-CD2 4.03Å; W372-F462 HydrophobicContact CH2-CG 4.13Å; W372-F462 HydrophobicContact CZ3-CB 4.07Å; W372-F462 AromaticContact CZ3-CD2 3.86Å; W372-F462 HydrophobicContact CZ3-CD2 3.86Å; W372-F462 HydrophobicContact CZ3-CG 4.24Å; F375-F462 AromaticContact CE1-CD2 3.92Å; F375-F462 HydrophobicContact CE1-CD2 3.92Å; F375-F462 HydrophobicContact CE1-CE2 4.45Å; F375-F462 AromaticContact CZ-CD2 3.98Å; F375-F462 HydrophobicContact CZ-CD2 3.98Å; F375-F462 HydrophobicContact CZ-CE2 4.08Å; Y458-F462 HydrophobicContact CG-CZ 4.46Å; Y458-F462 VanDerWaalsContact O-CB 3.3Å; Y458-F462 WeakPolarHBondContact O-CB 3.5Å; Y458-F462 WeakPolarHBondContact O-CD2 3.29Å; Y458-F462 WeakPolarHBondContact O-CG 3.48Å; Y458-F462 PolarHBondContact O-N 3.28Å; F462-R464 PolarHBondContact O-N 3.24Å; F462-H465 WeakPolarHBondContact O-CB 3.5Å; F462-H465 PolarHBondContact O-N 3Å; F462-T468 WeakPolarHBondContact O-CG2 3.2Å; F462-T468 PolarHBondContact O-OG1 3.24Å; F462-L470 HydrophobicContact CB-CD1 4.14Å |
| 463 | M | 84 | Confident | 84 | Confident | 35 Ų | 35 | 39 Ų | 39 | 17% | 0.172 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -26.5 | 171 | -84.3 | -168.9 | -51.3 | 0 | 0 | 114.4 | A459 H460 E461 H465 L470 I472 F479 | A459-M463 WeakPolarHBondContact O-CB 3.42Å; A459-M463 VanDerWaalsContact O-CG 3.29Å; A459-M463 WeakPolarHBondContact O-CG 3.25Å; A459-M463 PolarHBondContact O-N 2.84Å; A459-M463 VanDerWaalsContact O-N 3.13Å; H460-M463 HydrophobicContact CB-CE 4.36Å; H460-M463 WeakPolarHBondContact ND1-CE 3.37Å; E461-M463 VanDerWaalsContact C-N 3.29Å; E461-M463 PolarHBondContact O-N 3.49Å; M463-H465 PolarHBondContact O-N 3.13Å; M463-L470 HydrophobicContact CB-CB 4.4Å; M463-L470 HydrophobicContact CG-CB 3.49Å; M463-L470 VanDerWaalsContact CG-CB 3.49Å; M463-L470 HydrophobicContact CG-CD1 4.41Å; M463-I472 HydrophobicContact CE-CD1 3.55Å; M463-I472 HydrophobicContact CE-CG1 3.9Å; M463-I472 HydrophobicContact SD-CD1 4Å; M463-I472 HydrophobicContact SD-CG1 3.64Å; M463-F479 HydrophobicContact CE-CD1 3.91Å; M463-F479 HydrophobicContact CE-CE1 3.42Å; M463-F479 VanDerWaalsContact CE-CE1 3.42Å; M463-F479 HydrophobicContact CG-CD1 4.32Å; M463-F479 HydrophobicContact SD-CD1 3.56Å; M463-F479 VanDerWaalsContact SD-CD1 3.56Å; M463-F479 HydrophobicContact SD-CE1 3.76Å |
| 464 | R | 83.1 | Confident | 83 | Confident | 169 Ų | 169 | 45.5 Ų | 45.5 | 64% | 0.638 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.2 | 176.7 | -62.6 | 178.1 | 177.1 | 156.1 | 1.9 | 111.6 | S411 E461 F462 | S411-R464 PolarHBondContact O-NH2 2.65Å; S411-R464 VanDerWaalsContact O-NH2 3.12Å; E461-R464 VanDerWaalsContact O-CB 3.27Å; E461-R464 WeakPolarHBondContact O-CB 3.36Å; E461-R464 PolarHBondContact O-N 3.4Å; F462-R464 PolarHBondContact O-N 3.24Å |
| 465 | H | 80.6 | Confident | 81.7 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -90.3 | 107.6 | 176.5 | -63.4 | -75.2 | 0 | 0 | 0 | 110.6 | E461 F462 M463 F467 T468 | E461-H465 PolarHBondContact O-CD2 3.47Å; F462-H465 WeakPolarHBondContact O-CB 3.5Å; F462-H465 PolarHBondContact O-N 3Å; M463-H465 PolarHBondContact O-N 3.13Å; H465-F467 HydrophobicContact CB-CD1 4.01Å; H465-F467 HydrophobicContact CB-CE1 3.58Å; H465-F467 HydrophobicContact CB-CE2 4.26Å; H465-F467 HydrophobicContact CB-CZ 3.72Å; H465-F467 AromaticContact CG-CE1 3.94Å; H465-F467 AromaticContact ND1-CE1 3.89Å; H465-F467 PolarHBondContact O-N 2.99Å; H465-T468 HydrophobicContact CB-CG2 3.93Å; H465-T468 PolarHBondContact O-N 3.16Å; H465-T468 PolarHBondContact O-OG1 3.36Å |
| 466 | A | 70.4 | Confident | 80.8 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 76% | 0.76 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -54.1 | -30.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T468 G469 | A466-T468 PolarHBondContact O-N 3.3Å; A466-G469 PolarHBondContact O-N 3.23Å |
| 467 | F | 73.4 | Confident | 79.8 | Confident | 79 Ų | 79 | 55 Ų | 55 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -69.6 | -15.8 | -179.1 | 62.6 | -104.3 | 0 | 0 | 0 | 114.2 | L364 R365 H465 G469 | L364-F467 HydrophobicContact CB-CE2 4.32Å; L364-F467 HydrophobicContact CB-CZ 4.29Å; L364-F467 HydrophobicContact CD2-CE2 4.18Å; L364-F467 HydrophobicContact CD2-CZ 3.88Å; L364-F467 HydrophobicContact CG-CE2 3.96Å; L364-F467 HydrophobicContact CG-CZ 4.09Å; R365-F467 VanDerWaalsContact CA-CE2 3.48Å; R365-F467 HydrophobicContact CB-CD2 4.14Å; R365-F467 HydrophobicContact CB-CE2 3.91Å; R365-F467 HydrophobicContact CB-CZ 4.09Å; R365-F467 HydrophobicContact CG-CD2 4.15Å; R365-F467 HydrophobicContact CG-CE2 4.41Å; R365-F467 HydrophobicContact CG-CG 4.24Å; H465-F467 HydrophobicContact CB-CD1 4.01Å; H465-F467 HydrophobicContact CB-CE1 3.58Å; H465-F467 HydrophobicContact CB-CE2 4.26Å; H465-F467 HydrophobicContact CB-CZ 3.72Å; H465-F467 AromaticContact CG-CE1 3.94Å; H465-F467 AromaticContact ND1-CE1 3.89Å; H465-F467 PolarHBondContact O-N 2.99Å; F467-G469 PolarHBondContact O-N 3.13Å |
| 468 | T | 72.6 | Confident | 79.3 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -75.7 | -17.2 | 178 | 66.3 | 0 | 0 | 0 | 0 | 112 | W372 F462 H465 A466 L470 | W372-T468 HydrophobicContact CH2-CG2 3.64Å; W372-T468 HydrophobicContact CZ2-CG2 3.55Å; W372-T468 HydrophobicContact CZ3-CG2 4.3Å; F462-T468 WeakPolarHBondContact O-CG2 3.2Å; F462-T468 PolarHBondContact O-OG1 3.24Å; H465-T468 HydrophobicContact CB-CG2 3.93Å; H465-T468 PolarHBondContact O-N 3.16Å; H465-T468 PolarHBondContact O-OG1 3.36Å; A466-T468 PolarHBondContact O-N 3.3Å; T468-L470 PolarHBondContact O-N 2.89Å; T468-L470 VanDerWaalsContact O-N 3.09Å; T468-L470 PolarHBondContact OG1-N 2.84Å |
| 469 | G | 73.8 | Confident | 79 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | trans | 65.5 | 7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A466 F467 Q482 | A466-G469 PolarHBondContact O-N 3.23Å; F467-G469 PolarHBondContact O-N 3.13Å; G469-Q482 VanDerWaalsContact CA-OE1 3.31Å; G469-Q482 PolarHBondContact O-N 3.49Å | ||
| 470 | L | 80.3 | Confident | 78.7 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.8 | -175.8 | -61.8 | -178.1 | 0 | 0 | 0 | 111.8 | W372 V376 F462 M463 T468 V480 | W372-L470 HydrophobicContact CE3-CD1 3.73Å; W372-L470 HydrophobicContact CE3-CD2 4.35Å; W372-L470 HydrophobicContact CE3-CG 4.22Å; W372-L470 HydrophobicContact CZ3-CD1 3.75Å; V376-L470 HydrophobicContact CG2-CD2 3.15Å; V376-L470 HydrophobicContact CG2-CG 4.47Å; F462-L470 HydrophobicContact CB-CD1 4.14Å; M463-L470 HydrophobicContact CB-CB 4.4Å; M463-L470 HydrophobicContact CG-CB 3.49Å; M463-L470 VanDerWaalsContact CG-CB 3.49Å; M463-L470 HydrophobicContact CG-CD1 4.41Å; T468-L470 PolarHBondContact O-N 2.89Å; T468-L470 VanDerWaalsContact O-N 3.09Å; T468-L470 PolarHBondContact OG1-N 2.84Å; L470-V480 CarbonylContact C-O 3.58Å; L470-V480 WeakPolarHBondContact CA-O 3.46Å |
| 471 | R | 81.9 | Confident | 77.9 | Confident | 155 Ų | 155 | 59.8 Ų | 59.8 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.5 | 176.8 | -58 | -176 | -178.1 | -161.4 | -0.9 | 110.4 | F479 V480 | R471-F479 CarbonylContact O-C 3.58Å; R471-F479 WeakPolarHBondContact O-CA 3.41Å; R471-V480 PolarHBondContact N-O 2.99Å; R471-V480 PolarHBondContact O-N 3.45Å |
| 472 | I | 80.8 | Confident | 76.8 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 30% | 0.297 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.5 | 164.3 | -75.8 | 164.5 | 0 | 0 | 0 | 108.7 | M463 N474 K478 F479 | M463-I472 HydrophobicContact CE-CD1 3.55Å; M463-I472 HydrophobicContact CE-CG1 3.9Å; M463-I472 HydrophobicContact SD-CD1 4Å; M463-I472 HydrophobicContact SD-CG1 3.64Å; I472-N474 PolarHBondContact O-N 3.04Å; I472-K478 WeakPolarHBondContact CA-O 3.23Å; I472-F479 HydrophobicContact CD1-CD1 4.5Å; I472-F479 HydrophobicContact CD1-CE1 4.1Å; I472-F479 HydrophobicContact CG1-CD1 3.94Å; I472-F479 HydrophobicContact CG1-CE1 4.05Å |
| 473 | D | 81.6 | Confident | 75.2 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 105.3 | 162.4 | 170.5 | 14.7 | 0 | 0 | 0 | 108.7 | S475 T476 L477 K478 V480 | D473-S475 VanDerWaalsContact CG-OG 3.25Å; D473-S475 PolarHBondContact O-N 2.7Å; D473-S475 VanDerWaalsContact O-N 3.13Å; D473-S475 WeakPolarHBondContact OD1-CB 3.34Å; D473-S475 PolarHBondContact OD1-N 2.96Å; D473-S475 PolarHBondContact OD1-OG 3.35Å; D473-S475 PolarHBondContact OD2-OG 3.11Å; D473-S475 VanDerWaalsContact OD2-OG 3.12Å; D473-T476 WeakPolarHBondContact CB-OG1 3.48Å; D473-T476 VanDerWaalsContact CG-OG1 3.23Å; D473-T476 PolarHBondContact O-N 2.96Å; D473-T476 VanDerWaalsContact O-N 3.13Å; D473-T476 WeakPolarHBondContact OD2-CB 3.37Å; D473-T476 WeakPolarHBondContact OD2-CG2 3.33Å; D473-T476 PolarHBondContact OD2-OG1 2.95Å; D473-L477 WeakPolarHBondContact O-CA 3.1Å; D473-L477 PolarHBondContact O-N 3.46Å; D473-K478 PolarHBondContact N-O 2.8Å; D473-V480 HydrophobicContact CB-CG2 3.74Å |
| 474 | N | 72.3 | Confident | 73.3 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.2 | -178.6 | -69.3 | -30.9 | 0 | 0 | 0 | 113.3 | I472 | I472-N474 PolarHBondContact O-N 3.04Š|
| 475 | S | 64 | Low | 70.8 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -30.6 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | D473 | D473-S475 VanDerWaalsContact CG-OG 3.25Å; D473-S475 PolarHBondContact O-N 2.7Å; D473-S475 VanDerWaalsContact O-N 3.13Å; D473-S475 WeakPolarHBondContact OD1-CB 3.34Å; D473-S475 PolarHBondContact OD1-N 2.96Å; D473-S475 PolarHBondContact OD1-OG 3.35Å; D473-S475 PolarHBondContact OD2-OG 3.11Å; D473-S475 VanDerWaalsContact OD2-OG 3.12Å |
| 476 | T | 73.3 | Confident | 68.3 | Low | 30 Ų | 30 | 70.3 Ų | 70.3 | 18% | 0.184 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -11.2 | -176.1 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | M318 D473 K478 | M318-T476 HydrophobicContact CE-CG2 3.18Å; M318-T476 HydrophobicContact SD-CG2 3.49Å; M318-T476 WeakPolarHBondContact SD-CG2 3.34Å; D473-T476 WeakPolarHBondContact CB-OG1 3.48Å; D473-T476 VanDerWaalsContact CG-OG1 3.23Å; D473-T476 PolarHBondContact O-N 2.96Å; D473-T476 VanDerWaalsContact O-N 3.13Å; D473-T476 WeakPolarHBondContact OD2-CB 3.37Å; D473-T476 WeakPolarHBondContact OD2-CG2 3.33Å; D473-T476 PolarHBondContact OD2-OG1 2.95Å; T476-K478 PolarHBondContact O-N 3.22Å |
| 477 | L | 71.1 | Confident | 66.3 | Low | 94 Ų | 94 | 73.9 Ų | 73.9 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34 | -174.1 | -57.6 | 171.6 | 0 | 0 | 0 | 112.2 | F386 D473 | F386-L477 HydrophobicContact CD2-CD1 4.45Å; F386-L477 HydrophobicContact CE2-CD1 3.81Å; D473-L477 WeakPolarHBondContact O-CA 3.1Å; D473-L477 PolarHBondContact O-N 3.46Å |
| 478 | K | 82.2 | Confident | 64 | Low | 79 Ų | 79 | 75.3 Ų | 75.3 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 151.6 | 178.6 | -69.5 | -177.5 | -179.6 | 179.1 | 0 | 110.9 | N380 I472 D473 T476 | N380-K478 WeakPolarHBondContact OD1-CA 3.42Å; N380-K478 WeakPolarHBondContact OD1-CB 3.15Å; I472-K478 WeakPolarHBondContact CA-O 3.23Å; D473-K478 PolarHBondContact N-O 2.8Å; T476-K478 PolarHBondContact O-N 3.22Å |
| 479 | F | 83 | Confident | 61.8 | Low | 5 Ų | 5 | 81.6 Ų | 81.6 | 2% | 0.022 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 143.6 | 169.7 | -58.3 | -88.7 | 0 | 0 | 0 | 109.8 | V376 V379 N380 A459 H460 M463 R471 I472 | V376-F479 HydrophobicContact CG1-CB 3.94Å; V376-F479 WeakPolarHBondContact CG1-O 3.26Å; V376-F479 HydrophobicContact CG2-CB 4.3Å; V379-F479 HydrophobicContact CB-CD2 4.42Å; V379-F479 HydrophobicContact CG1-CD2 3.65Å; V379-F479 HydrophobicContact CG1-CE2 3.43Å; V379-F479 VanDerWaalsContact CG1-CE2 3.43Å; V379-F479 HydrophobicContact CG1-CZ 4.24Å; N380-F479 PolarHBondContact ND2-O 3.17Å; N380-F479 PolarHBondContact OD1-N 3.3Å; A459-F479 HydrophobicContact CB-CD1 4.12Å; A459-F479 HydrophobicContact CB-CE1 3.59Å; A459-F479 HydrophobicContact CB-CE2 4.12Å; A459-F479 HydrophobicContact CB-CZ 3.61Å; H460-F479 AromaticContact NE2-CZ 3.63Å; M463-F479 HydrophobicContact CE-CD1 3.91Å; M463-F479 HydrophobicContact CE-CE1 3.42Å; M463-F479 VanDerWaalsContact CE-CE1 3.42Å; M463-F479 HydrophobicContact CG-CD1 4.32Å; M463-F479 HydrophobicContact SD-CD1 3.56Å; M463-F479 VanDerWaalsContact SD-CD1 3.56Å; M463-F479 HydrophobicContact SD-CE1 3.76Å; R471-F479 CarbonylContact O-C 3.58Å; R471-F479 WeakPolarHBondContact O-CA 3.41Å; I472-F479 HydrophobicContact CD1-CD1 4.5Å; I472-F479 HydrophobicContact CD1-CE1 4.1Å; I472-F479 HydrophobicContact CG1-CD1 3.94Å; I472-F479 HydrophobicContact CG1-CE1 4.05Å |
| 480 | V | 82 | Confident | 59.8 | Low | 42 Ų | 42 | 88.7 Ų | 88.7 | 26% | 0.255 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.5 | -178.8 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | L470 R471 D473 S484 | L470-V480 CarbonylContact C-O 3.58Å; L470-V480 WeakPolarHBondContact CA-O 3.46Å; R471-V480 PolarHBondContact N-O 2.99Å; R471-V480 PolarHBondContact O-N 3.45Å; D473-V480 HydrophobicContact CB-CG2 3.74Å; V480-S484 WeakPolarHBondContact CG1-OG 2.94Å |
| 481 | S | 72.2 | Confident | 57.3 | Low | 19 Ų | 19 | 97.1 Ų | 97.1 | 13% | 0.133 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 148.3 | 173.1 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | D483 S484 | S481-D483 PolarHBondContact O-N 2.85Å; S481-S484 PolarHBondContact O-N 3.46Å; S481-S484 PolarHBondContact O-OG 3Å |
| 482 | Q | 62.3 | Low | 54.9 | Low | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.3 | -172.9 | -112.2 | 176.3 | -29.5 | 0 | 0 | 115.6 | G469 S484 | G469-Q482 VanDerWaalsContact CA-OE1 3.31Å; G469-Q482 PolarHBondContact O-N 3.49Å; Q482-S484 VanDerWaalsContact C-N 3.32Å; Q482-S484 PolarHBondContact O-N 3.22Å |
| 483 | D | 54.8 | Low | 52.3 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.4 | -177.6 | -65.2 | -34.4 | 0 | 0 | 0 | 114.7 | N313 S481 S485 | N313-D483 VanDerWaalsContact ND2-CB 3.25Å; N313-D483 WeakPolarHBondContact ND2-CB 3.19Å; N313-D483 PolarHBondContact ND2-OD2 3.06Å; S481-D483 PolarHBondContact O-N 2.85Å; D483-S485 PolarHBondContact O-N 3.08Å |
| 484 | S | 44.2 | Very low | 49.8 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 10.1 | -176 | 74 | 0 | 0 | 0 | 0 | 115.1 | V480 S481 Q482 | V480-S484 WeakPolarHBondContact CG1-OG 2.94Å; S481-S484 PolarHBondContact O-N 3.46Å; S481-S484 PolarHBondContact O-OG 3Å; Q482-S484 VanDerWaalsContact C-N 3.32Å; Q482-S484 PolarHBondContact O-N 3.22Å |
| 485 | S | 30.5 | Very low | 47.8 | Very low | 96 Ų | 96 | 103.8 Ų | 103.8 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 0.1 | -169.3 | 68.7 | 0 | 0 | 0 | 0 | 116.8 | D483 | D483-S485 PolarHBondContact O-N 3.08Š|
| 486 | N | 28.2 | Very low | 46 | Very low | 145 Ų | 145 | 103.8 Ų | 103.8 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -127.5 | 120.9 | 178.8 | -74.9 | -15.2 | 0 | 0 | 0 | 113.2 | ||
| 487 | D | 28.2 | Very low | 43.7 | Very low | 167 Ų | 167 | 107.9 Ų | 107.9 | 89% | 0.893 | 59% | 0.594 | S | S | * | * | trans | 73.9 | 134.4 | 155.7 | -103 | -23 | 0 | 0 | 0 | 122.3 | ||||
| 488 | D | 25.9 | Very low | 41.7 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | trans | -69.4 | 163.2 | -179 | -77.7 | -52.8 | 0 | 0 | 0 | 112.6 | K317 | K317-D488 IonicContact NZ-OD1 2.96Å; K317-D488 PolarHBondContact NZ-OD1 3.41Å | ||
| 489 | T | 25.1 | Very low | 39.2 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 85% | 0.847 | 63% | 0.634 | S | S | * | * | trans | 68.4 | 96.7 | 172.6 | 44.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 490 | M | 31.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 77% | 0.768 | 67% | 0.672 | S | S | * | * | trans | -155.6 | 132.7 | 145.9 | -112.7 | -178.9 | -168.6 | 0 | 0 | 114.6 | I314 | I314-M490 HydrophobicContact CG2-CB 4.23Š| ||
| 491 | K | 27.9 | Very low | 33.9 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 147 | 178.3 | -65.2 | 165.9 | 173.9 | 174.5 | 0 | 110.5 | P493 | K491-P493 WeakPolarHBondContact O-CD 3.41Š| ||
| 492 | L | 31.3 | Very low | 31.9 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -58.8 | 125.6 | 167.3 | -121.3 | 93.9 | 0 | 0 | 0 | 109 | L494 | L492-L494 PolarHBondContact O-N 2.96Å; L492-L494 VanDerWaalsContact O-N 3.14Å | ||
| 493 | P | 26.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 106 | 162.9 | 0.6 | 16.4 | 0 | 0 | 0 | 106.8 | I314 K491 L495 | I314-P493 HydrophobicContact CD1-CG 3.93Å; K491-P493 WeakPolarHBondContact O-CD 3.41Å; P493-L495 PolarHBondContact O-N 3.07Å | ||
| 494 | L | 28.1 | Very low | 29 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -49 | 123 | 148.6 | -80.2 | 155.7 | 0 | 0 | 0 | 105.9 | L492 S496 | L492-L494 PolarHBondContact O-N 2.96Å; L492-L494 VanDerWaalsContact O-N 3.14Å; L494-S496 PolarHBondContact O-N 3.38Å | ||
| 495 | L | 31.6 | Very low | 28.3 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -52.3 | 97.3 | 165.5 | -94.2 | 153.4 | 0 | 0 | 0 | 106.4 | P493 | P493-L495 PolarHBondContact O-N 3.07Š| ||
| 496 | S | 24.7 | Very low | 28.3 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -60.3 | 135.4 | 166.6 | 44.6 | 0 | 0 | 0 | 0 | 105.5 | L494 M498 | L494-S496 PolarHBondContact O-N 3.38Å; S496-M498 PolarHBondContact O-N 3.38Å | ||
| 497 | P | 26.9 | Very low | 28.3 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 111.1 | 176.9 | 23.7 | -30.4 | 0 | 0 | 0 | 106.1 | K499 | P497-K499 VanDerWaalsContact C-N 3.29Å; P497-K499 PolarHBondContact O-N 2.94Å | ||
| 498 | M | 29.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -56.9 | 101.5 | 174.4 | -90.8 | -172 | 117.5 | 0 | 0 | 106.5 | S496 N500 | S496-M498 PolarHBondContact O-N 3.38Å; M498-N500 PolarHBondContact O-N 3.28Å | ||
| 499 | K | 29.1 | Very low | 28.4 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -63.3 | 132.4 | 167.2 | -77 | -179.3 | 176.9 | 177.6 | 0 | 106.3 | P497 | P497-K499 VanDerWaalsContact C-N 3.29Å; P497-K499 PolarHBondContact O-N 2.94Å | ||
| 500 | N | 26.6 | Very low | 28.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -20.7 | 134.1 | 173 | -62.1 | -27.1 | 0 | 0 | 0 | 115.6 | M498 | M498-N500 PolarHBondContact O-N 3.28Š|
| 501 | S | 27.1 | Very low | 28.4 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 77.9 | 158.8 | 72.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 502 | E | 29.6 | Very low | 28.7 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -117.7 | 115.3 | 144.2 | -87.3 | -177.9 | 161.8 | 0 | 0 | 108.2 | L504 | E502-L504 PolarHBondContact O-N 3.07Š| ||
| 503 | K | 27.6 | Very low | 28.9 | Very low | 200 Ų | 200 | 132.6 Ų | 132.6 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | trans | -59.9 | 115.6 | 173.7 | -69.4 | 176.1 | 175.7 | -179 | 0 | 107.6 | ||||
| 504 | L | 29.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | -59 | 145.7 | 163.7 | -99.7 | 105.6 | 0 | 0 | 0 | 109 | E502 L506 | E502-L504 PolarHBondContact O-N 3.07Å; L504-L506 PolarHBondContact O-N 3.12Å | ||
| 505 | P | 29.1 | Very low | 30.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 68% | 0.676 | S | S | * | * | trans | -58.6 | 122.4 | -180 | -16.5 | 29 | 0 | 0 | 0 | 110.1 | D507 | P505-D507 PolarHBondContact O-N 2.89Š| ||
| 506 | L | 29.3 | Very low | 32.1 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 67% | 0.665 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -72.5 | -1.2 | -174.5 | -101.4 | 107.3 | 0 | 0 | 0 | 114.7 | L504 N508 | L504-L506 PolarHBondContact O-N 3.12Å; L506-N508 PolarHBondContact O-N 3.32Å |
| 507 | D | 29.8 | Very low | 33.7 | Very low | 147 Ų | 147 | 115.3 Ų | 115.3 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -93.9 | 6.8 | -160.6 | -64.3 | -26.3 | 0 | 0 | 0 | 115.4 | P505 | P505-D507 PolarHBondContact O-N 2.89Š|
| 508 | N | 27.9 | Very low | 35.4 | Very low | 159 Ų | 159 | 111.1 Ų | 111.1 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -124.4 | 20 | 177.6 | -79.8 | -18.6 | 0 | 0 | 0 | 114.4 | L506 A510 | L506-N508 PolarHBondContact O-N 3.32Å; N508-A510 PolarHBondContact O-N 3.42Å |
| 509 | I | 28.1 | Very low | 37.1 | Very low | 127 Ų | 127 | 105.6 Ų | 105.6 | 65% | 0.651 | 56% | 0.561 | S | S | * | * | trans | -75.8 | 82.2 | 171.8 | -54.1 | 176.3 | 0 | 0 | 0 | 107.6 | H511 | I509-H511 PolarHBondContact O-N 3.41Š| ||
| 510 | A | 28.5 | Very low | 38.5 | Very low | 88 Ų | 88 | 96.4 Ų | 96.4 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | trans | -57.9 | 126.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | N508 D512 | N508-A510 PolarHBondContact O-N 3.42Å; A510-D512 PolarHBondContact O-N 2.69Å | ||
| 511 | H | 28.8 | Very low | 40.4 | Very low | 180 Ų | 180 | 89.4 Ų | 89.4 | 83% | 0.833 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -62 | 91.4 | 176 | -68.7 | -77.3 | 0 | 0 | 0 | 111 | I509 | I509-H511 PolarHBondContact O-N 3.41Š|
| 512 | D | 34.2 | Very low | 42.4 | Very low | 99 Ų | 99 | 85.6 Ų | 85.6 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -171.3 | 138.8 | 151.1 | -101.8 | -30.3 | 0 | 0 | 0 | 110.9 | I304 A510 D514 | I304-D512 HydrophobicContact CG1-CB 4.25Å; I304-D512 HydrophobicContact CG2-CB 4.14Å; A510-D512 PolarHBondContact O-N 2.69Å; D512-D514 VanDerWaalsContact C-N 3.34Å; D512-D514 PolarHBondContact O-N 2.9Å |
| 513 | G | 33.9 | Very low | 44.3 | Very low | 7 Ų | 7 | 78.8 Ų | 78.8 | 7% | 0.072 | 42% | 0.421 | C | S | . | . | trans | -76.8 | 69.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I304 L515 | I304-G513 WeakPolarHBondContact CG2-O 3.26Å; G513-L515 PolarHBondContact O-N 2.81Å | ||
| 514 | D | 46.7 | Very low | 45.8 | Very low | 69 Ų | 69 | 69.3 Ų | 69.3 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | trans | -47.5 | 125.8 | -175.5 | -70.7 | -25 | 0 | 0 | 0 | 113.6 | V248 D512 Q516 | V248-D514 WeakPolarHBondContact CG1-O 3.3Å; D512-D514 VanDerWaalsContact C-N 3.34Å; D512-D514 PolarHBondContact O-N 2.9Å; D514-Q516 PolarHBondContact O-N 2.99Å | ||
| 515 | L | 49.8 | Very low | 47.9 | Very low | 30 Ų | 30 | 62.5 Ų | 62.5 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | trans | -72 | 130.7 | 176.2 | -127.7 | 111.3 | 0 | 0 | 0 | 110.5 | L232 Q287 I291 G513 I517 | L232-L515 HydrophobicContact CD1-CD1 3.65Å; L232-L515 HydrophobicContact CD1-CG 4.46Å; Q287-L515 HydrophobicContact CB-CD2 3.63Å; Q287-L515 HydrophobicContact CG-CD2 3.85Å; I291-L515 HydrophobicContact CD1-CD2 3.85Å; I291-L515 HydrophobicContact CG1-CD1 4.39Å; I291-L515 HydrophobicContact CG1-CD2 3.77Å; G513-L515 PolarHBondContact O-N 2.81Å; L515-I517 HydrophobicContact CD2-CD1 4.48Å; L515-I517 HydrophobicContact CD2-CG1 4.48Å; L515-I517 PolarHBondContact O-N 3.43Å | ||
| 516 | Q | 58.4 | Low | 49.9 | Very low | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 4.7 | -164.1 | -59.9 | 152.7 | -1.1 | 0 | 0 | 117.1 | V248 N251 I252 D514 S518 Q519 V520 | V248-Q516 HydrophobicContact CG1-CG 4.48Å; N251-Q516 PolarHBondContact OD1-NE2 3.43Å; N251-Q516 PolarHBondContact OD1-OE1 2.83Å; I252-Q516 HydrophobicContact CD1-CG 4.42Å; I252-Q516 HydrophobicContact CG1-CG 3.94Å; D514-Q516 PolarHBondContact O-N 2.99Å; Q516-S518 VanDerWaalsContact C-N 3.31Å; Q516-S518 PolarHBondContact O-N 3.21Å; Q516-Q519 PolarHBondContact O-N 3.39Å; Q516-V520 WeakPolarHBondContact O-CG2 3.31Å; Q516-V520 PolarHBondContact O-N 3.2Å |
| 517 | I | 58.5 | Low | 51.6 | Low | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | -173.5 | -63.5 | 178.2 | 0 | 0 | 0 | 110.3 | Q287 M288 I291 W356 L515 Q519 V520 I521 | Q287-I517 HydrophobicContact CB-CD1 3.96Å; Q287-I517 HydrophobicContact CB-CG1 3.85Å; Q287-I517 HydrophobicContact CG-CG1 4.47Å; M288-I517 HydrophobicContact CG-CD1 4.45Å; I291-I517 HydrophobicContact CD1-CD1 3.45Å; I291-I517 VanDerWaalsContact CD1-CD1 3.45Å; W356-I517 HydrophobicContact CE3-CG2 4.35Å; W356-I517 HydrophobicContact CH2-CD1 3.68Å; W356-I517 HydrophobicContact CH2-CG2 4.44Å; W356-I517 HydrophobicContact CZ2-CD1 3.98Å; W356-I517 HydrophobicContact CZ3-CD1 4.07Å; W356-I517 HydrophobicContact CZ3-CG2 3.86Å; L515-I517 HydrophobicContact CD2-CD1 4.48Å; L515-I517 HydrophobicContact CD2-CG1 4.48Å; L515-I517 PolarHBondContact O-N 3.43Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 3.18Å; I517-V520 PolarHBondContact O-N 3.33Å; I517-V520 VanDerWaalsContact O-N 3.15Å; I517-I521 HydrophobicContact CG2-CD1 3.87Å; I517-I521 HydrophobicContact CG2-CG1 4.25Å; I517-I521 WeakPolarHBondContact O-CG1 3.41Å; I517-I521 PolarHBondContact O-N 2.99Å |
| 518 | S | 61.6 | Low | 53.3 | Low | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.3 | -44.7 | 177.6 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | Q516 I521 E522 | Q516-S518 VanDerWaalsContact C-N 3.31Å; Q516-S518 PolarHBondContact O-N 3.21Å; S518-I521 WeakPolarHBondContact O-CB 3.47Å; S518-I521 PolarHBondContact O-N 3.09Å; S518-E522 PolarHBondContact O-N 2.99Å |
| 519 | Q | 64.9 | Low | 55.3 | Low | 50 Ų | 50 | 38.7 Ų | 38.7 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.5 | -38.8 | 179.3 | -64.9 | -175.2 | -7.3 | 0 | 0 | 111.5 | I252 Q516 I517 I521 E522 H523 | I252-Q519 VanDerWaalsContact CD1-OE1 3.32Å; Q516-Q519 PolarHBondContact O-N 3.39Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 3.18Å; Q519-I521 PolarHBondContact O-N 2.92Å; Q519-E522 PolarHBondContact O-N 3.47Å; Q519-H523 PolarHBondContact O-N 2.89Å; Q519-H523 PolarHBondContact O-ND1 2.86Å |
| 520 | V | 58.1 | Low | 57.2 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | L255 I280 L283 V284 I353 Q516 I517 H523 V524 | L255-V520 HydrophobicContact CD2-CG2 3.75Å; I280-V520 HydrophobicContact CG2-CG1 3.81Å; L283-V520 HydrophobicContact CD2-CG2 4.43Å; V284-V520 HydrophobicContact CG2-CG1 3.75Å; I353-V520 HydrophobicContact CD1-CG1 4.4Å; Q516-V520 WeakPolarHBondContact O-CG2 3.31Å; Q516-V520 PolarHBondContact O-N 3.2Å; I517-V520 PolarHBondContact O-N 3.33Å; I517-V520 VanDerWaalsContact O-N 3.15Å; V520-H523 PolarHBondContact O-N 3.4Å; V520-V524 HydrophobicContact CG1-CG2 4.08Å; V520-V524 WeakPolarHBondContact O-CB 3.43Å; V520-V524 WeakPolarHBondContact O-CG2 3.46Å; V520-V524 PolarHBondContact O-N 2.96Å |
| 521 | I | 67.5 | Low | 58.9 | Low | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -53 | 175.1 | -64.4 | 167.2 | 0 | 0 | 0 | 110.6 | I353 L357 M367 I517 S518 Q519 H523 V524 L525 | I353-I521 HydrophobicContact CD1-CG1 4.02Å; I353-I521 HydrophobicContact CG1-CG1 4.44Å; I353-I521 HydrophobicContact CG2-CD1 3.87Å; I353-I521 HydrophobicContact CG2-CG1 3.54Å; L357-I521 HydrophobicContact CD1-CD1 4.13Å; L357-I521 HydrophobicContact CD2-CD1 4.25Å; M367-I521 HydrophobicContact CE-CG2 4.02Å; I517-I521 HydrophobicContact CG2-CD1 3.87Å; I517-I521 HydrophobicContact CG2-CG1 4.25Å; I517-I521 WeakPolarHBondContact O-CG1 3.41Å; I517-I521 PolarHBondContact O-N 2.99Å; S518-I521 WeakPolarHBondContact O-CB 3.47Å; S518-I521 PolarHBondContact O-N 3.09Å; Q519-I521 PolarHBondContact O-N 2.92Å; I521-H523 VanDerWaalsContact C-N 3.33Å; I521-H523 PolarHBondContact O-N 3.21Å; I521-V524 PolarHBondContact O-N 2.95Å; I521-L525 HydrophobicContact CG2-CD1 3.78Å; I521-L525 HydrophobicContact CG2-CG 4.26Å; I521-L525 WeakPolarHBondContact O-CB 3.34Å; I521-L525 VanDerWaalsContact O-CG 3.26Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 3.23Å |
| 522 | E | 69 | Low | 60.6 | Low | 38 Ų | 38 | 25 Ų | 25 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | -179.4 | -76.6 | -171.3 | 176.6 | 0 | 0 | 112.5 | S371 S518 Q519 L525 S526 | S371-E522 VanDerWaalsContact OG-CG 3.25Å; S371-E522 WeakPolarHBondContact OG-CG 3.47Å; S371-E522 PolarHBondContact OG-OE1 3.43Å; S518-E522 PolarHBondContact O-N 2.99Å; Q519-E522 PolarHBondContact O-N 3.47Å; E522-L525 PolarHBondContact O-N 3Å; E522-S526 WeakPolarHBondContact O-CB 3.32Å; E522-S526 PolarHBondContact O-N 3.29Å |
| 523 | H | 68.9 | Low | 62.2 | Low | 29 Ų | 29 | 24.1 Ų | 24.1 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 179.7 | -73.4 | 93.4 | 0 | 0 | 0 | 113 | N256 F259 Q519 V520 I521 L525 S526 I527 | N256-H523 PolarHBondContact OD1-CE1 2.96Å; N256-H523 PolarHBondContact OD1-NE2 3.15Å; F259-H523 HydrophobicContact CB-CB 4.33Å; F259-H523 VanDerWaalsContact CB-CD2 3.47Å; F259-H523 WeakPolarHBondContact CB-CD2 3.47Å; F259-H523 HydrophobicContact CD1-CB 3.65Å; F259-H523 HydrophobicContact CD2-CB 3.39Å; F259-H523 AromaticContact CD2-CD2 3.61Å; F259-H523 AromaticContact CD2-CG 3.4Å; F259-H523 HydrophobicContact CE1-CB 3.7Å; F259-H523 HydrophobicContact CE2-CB 3.37Å; F259-H523 AromaticContact CE2-CG 3.79Å; F259-H523 HydrophobicContact CG-CB 3.55Å; F259-H523 AromaticContact CG-CD2 3.61Å; F259-H523 AromaticContact CG-CG 3.71Å; F259-H523 HydrophobicContact CZ-CB 3.58Å; Q519-H523 PolarHBondContact O-N 2.89Å; Q519-H523 PolarHBondContact O-ND1 2.86Å; V520-H523 PolarHBondContact O-N 3.4Å; I521-H523 VanDerWaalsContact C-N 3.33Å; I521-H523 PolarHBondContact O-N 3.21Å; H523-L525 VanDerWaalsContact C-N 3.33Å; H523-S526 PolarHBondContact O-N 3.44Å; H523-I527 PolarHBondContact O-N 3.49Å |
| 524 | V | 59.5 | Low | 63.5 | Low | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 110 | F259 W346 V349 L350 V520 I521 S526 L528 | F259-V524 HydrophobicContact CZ-CG2 4.34Å; W346-V524 HydrophobicContact CE3-CG2 4.1Å; W346-V524 HydrophobicContact CZ3-CG2 4.19Å; V349-V524 HydrophobicContact CB-CG1 4.29Å; V349-V524 HydrophobicContact CG1-CG1 4.29Å; V349-V524 HydrophobicContact CG1-CG2 3.82Å; L350-V524 HydrophobicContact CB-CG1 4.17Å; V520-V524 HydrophobicContact CG1-CG2 4.08Å; V520-V524 WeakPolarHBondContact O-CB 3.43Å; V520-V524 WeakPolarHBondContact O-CG2 3.46Å; V520-V524 PolarHBondContact O-N 2.96Å; I521-V524 PolarHBondContact O-N 2.95Å; V524-S526 VanDerWaalsContact C-N 3.33Å; V524-S526 PolarHBondContact O-N 2.97Å; V524-L528 HydrophobicContact CG1-CD1 3.78Å; V524-L528 HydrophobicContact CG1-CG 4.43Å; V524-L528 VanDerWaalsContact O-CB 3.3Å; V524-L528 WeakPolarHBondContact O-CB 3.36Å; V524-L528 VanDerWaalsContact O-CG 3.24Å; V524-L528 WeakPolarHBondContact O-CG 2.78Å; V524-L528 PolarHBondContact O-N 2.98Å |
| 525 | L | 73.2 | Confident | 64.2 | Low | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 174 | -71.4 | 176.4 | 0 | 0 | 0 | 111.6 | L350 R374 F375 I521 E522 H523 T529 | L350-L525 HydrophobicContact CD1-CD2 3.68Å; L350-L525 HydrophobicContact CD1-CG 4.38Å; L350-L525 HydrophobicContact CD2-CD2 4.12Å; R374-L525 HydrophobicContact CB-CB 4.13Å; R374-L525 HydrophobicContact CB-CD1 4.36Å; F375-L525 HydrophobicContact CB-CD1 4.24Å; F375-L525 HydrophobicContact CB-CD2 4.26Å; F375-L525 HydrophobicContact CD2-CD2 4.11Å; I521-L525 HydrophobicContact CG2-CD1 3.78Å; I521-L525 HydrophobicContact CG2-CG 4.26Å; I521-L525 WeakPolarHBondContact O-CB 3.34Å; I521-L525 VanDerWaalsContact O-CG 3.26Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 3.23Å; E522-L525 PolarHBondContact O-N 3Å; H523-L525 VanDerWaalsContact C-N 3.33Å; L525-T529 WeakPolarHBondContact O-CB 3.29Å; L525-T529 PolarHBondContact O-N 3.24Å; L525-T529 PolarHBondContact O-OG1 3.06Å |
| 526 | S | 70.7 | Confident | 64.7 | Low | 30 Ų | 30 | 32 Ų | 32 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -51.5 | 177.7 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | E522 H523 V524 L528 T529 D530 | E522-S526 WeakPolarHBondContact O-CB 3.32Å; E522-S526 PolarHBondContact O-N 3.29Å; H523-S526 PolarHBondContact O-N 3.44Å; V524-S526 VanDerWaalsContact C-N 3.33Å; V524-S526 PolarHBondContact O-N 2.97Å; S526-L528 VanDerWaalsContact C-N 3.29Å; S526-L528 PolarHBondContact O-N 3.22Å; S526-T529 PolarHBondContact O-N 2.9Å; S526-D530 VanDerWaalsContact O-CB 3.32Å; S526-D530 WeakPolarHBondContact O-CB 3.14Å; S526-D530 PolarHBondContact O-N 3.37Å |
| 527 | I | 65.5 | Low | 64.7 | Low | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.8 | -53.5 | 174.8 | -74.9 | -174.3 | 0 | 0 | 0 | 109.4 | F259 L262 L263 W346 H523 D530 Q531 | F259-I527 HydrophobicContact CD1-CD1 3.35Å; F259-I527 HydrophobicContact CD1-CG1 3.82Å; F259-I527 HydrophobicContact CE1-CD1 3.42Å; F259-I527 VanDerWaalsContact CE1-CD1 3.42Å; F259-I527 HydrophobicContact CE1-CG1 4.16Å; L262-I527 HydrophobicContact CB-CD1 4.26Å; L262-I527 HydrophobicContact CD1-CD1 4.05Å; L263-I527 HydrophobicContact CD2-CB 4.13Å; L263-I527 HydrophobicContact CD2-CG1 3.5Å; W346-I527 HydrophobicContact CD2-CD1 4.08Å; W346-I527 HydrophobicContact CD2-CG2 4.32Å; W346-I527 HydrophobicContact CE3-CD1 4.41Å; W346-I527 HydrophobicContact CG-CG2 3.97Å; W346-I527 HydrophobicContact CH2-CD1 4.01Å; W346-I527 HydrophobicContact CZ2-CD1 3.65Å; W346-I527 HydrophobicContact CZ3-CD1 4.37Å; H523-I527 PolarHBondContact O-N 3.49Å; I527-D530 PolarHBondContact O-N 3.13Å; I527-Q531 HydrophobicContact CG2-CG 4.12Å; I527-Q531 WeakPolarHBondContact O-CB 3.45Å; I527-Q531 VanDerWaalsContact O-CG 3.27Å; I527-Q531 WeakPolarHBondContact O-CG 3.26Å; I527-Q531 PolarHBondContact O-N 2.98Å |
| 528 | L | 66.3 | Low | 64.3 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | -172.1 | -77.2 | 170.6 | 0 | 0 | 0 | 111.6 | I344 W346 L347 L350 L378 V524 S526 D530 Q531 L532 | I344-L528 HydrophobicContact CG2-CD2 3.31Å; W346-L528 HydrophobicContact CB-CD1 4.32Å; W346-L528 HydrophobicContact CB-CD2 3.41Å; W346-L528 VanDerWaalsContact CB-CD2 3.41Å; W346-L528 HydrophobicContact CB-CG 3.74Å; L347-L528 HydrophobicContact CD2-CD1 4.42Å; L347-L528 HydrophobicContact CD2-CD2 3.85Å; L347-L528 HydrophobicContact CG-CD2 4.09Å; L350-L528 HydrophobicContact CB-CD1 3.85Å; L350-L528 HydrophobicContact CD2-CD1 3.81Å; L350-L528 HydrophobicContact CG-CD1 4.41Å; L378-L528 HydrophobicContact CD1-CB 3.21Å; L378-L528 HydrophobicContact CD1-CD1 3.89Å; L378-L528 HydrophobicContact CD1-CG 4.1Å; V524-L528 HydrophobicContact CG1-CD1 3.78Å; V524-L528 HydrophobicContact CG1-CG 4.43Å; V524-L528 VanDerWaalsContact O-CB 3.3Å; V524-L528 WeakPolarHBondContact O-CB 3.36Å; V524-L528 VanDerWaalsContact O-CG 3.24Å; V524-L528 WeakPolarHBondContact O-CG 2.78Å; V524-L528 PolarHBondContact O-N 2.98Å; S526-L528 VanDerWaalsContact C-N 3.29Å; S526-L528 PolarHBondContact O-N 3.22Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.41Å; L528-Q531 PolarHBondContact O-N 3.02Å; L528-L532 WeakPolarHBondContact O-CB 3.41Å; L528-L532 WeakPolarHBondContact O-CG 3.42Å; L528-L532 PolarHBondContact O-N 2.8Å |
| 529 | T | 70 | Confident | 63.7 | Low | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 179 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | L525 S526 L532 H533 | L525-T529 WeakPolarHBondContact O-CB 3.29Å; L525-T529 PolarHBondContact O-N 3.24Å; L525-T529 PolarHBondContact O-OG1 3.06Å; S526-T529 PolarHBondContact O-N 2.9Å; T529-L532 PolarHBondContact O-N 3.36Å; T529-H533 VanDerWaalsContact CG2-CD2 3.41Å; T529-H533 WeakPolarHBondContact CG2-CD2 3.11Å; T529-H533 WeakPolarHBondContact O-CB 3.29Å; T529-H533 PolarHBondContact O-CD2 3.23Å; T529-H533 PolarHBondContact O-N 3.03Å |
| 530 | D | 67.8 | Low | 63 | Low | 49 Ų | 49 | 37.8 Ų | 37.8 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.3 | -45.6 | 179.9 | -71.4 | -9.3 | 0 | 0 | 0 | 112.5 | R266 S526 I527 L528 L532 H533 E534 | R266-D530 VanDerWaalsContact CZ-CB 3.46Å; R266-D530 IonicContact CZ-OD2 3.31Å; R266-D530 IonicContact NH1-OD2 2.67Å; R266-D530 VanDerWaalsContact NH2-CG 3.35Å; R266-D530 IonicContact NH2-OD2 2.7Å; R266-D530 PolarHBondContact NH2-OD2 3.08Å; S526-D530 VanDerWaalsContact O-CB 3.32Å; S526-D530 WeakPolarHBondContact O-CB 3.14Å; S526-D530 PolarHBondContact O-N 3.37Å; I527-D530 PolarHBondContact O-N 3.13Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.41Å; D530-L532 PolarHBondContact O-N 3.24Å; D530-H533 PolarHBondContact O-N 3.01Å; D530-E534 WeakPolarHBondContact O-CB 2.91Å; D530-E534 WeakPolarHBondContact O-CG 3.21Å; D530-E534 PolarHBondContact O-N 2.87Å |
| 531 | Q | 64.5 | Low | 62.3 | Low | 55 Ų | 55 | 39.7 Ų | 39.7 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.7 | -38.9 | 175.6 | -76.9 | -177.6 | -20.7 | 0 | 0 | 111.5 | I344 I527 L528 W535 | I344-Q531 HydrophobicContact CD1-CB 4.47Å; I527-Q531 HydrophobicContact CG2-CG 4.12Å; I527-Q531 WeakPolarHBondContact O-CB 3.45Å; I527-Q531 VanDerWaalsContact O-CG 3.27Å; I527-Q531 WeakPolarHBondContact O-CG 3.26Å; I527-Q531 PolarHBondContact O-N 2.98Å; L528-Q531 PolarHBondContact O-N 3.02Å; Q531-W535 WeakPolarHBondContact O-CB 3.31Å; Q531-W535 PolarHBondContact O-N 2.85Å |
| 532 | L | 63.3 | Low | 61.1 | Low | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.5 | -37.6 | 177.4 | -68.8 | 175.8 | 0 | 0 | 0 | 112.7 | L341 I344 L378 L381 L382 L528 T529 D530 K536 | L341-L532 HydrophobicContact CD2-CD2 3.32Å; I344-L532 HydrophobicContact CD1-CD2 3.59Å; I344-L532 HydrophobicContact CD1-CG 4.29Å; L378-L532 HydrophobicContact CD1-CD1 3.9Å; L378-L532 HydrophobicContact CG-CD1 4.3Å; L381-L532 HydrophobicContact CB-CB 4.27Å; L381-L532 HydrophobicContact CB-CD1 3.94Å; L381-L532 HydrophobicContact CD1-CB 3.69Å; L381-L532 HydrophobicContact CD1-CD1 4.3Å; L382-L532 HydrophobicContact CD2-CD1 4.44Å; L528-L532 WeakPolarHBondContact O-CB 3.41Å; L528-L532 WeakPolarHBondContact O-CG 3.42Å; L528-L532 PolarHBondContact O-N 2.8Å; T529-L532 PolarHBondContact O-N 3.36Å; D530-L532 PolarHBondContact O-N 3.24Å; L532-K536 VanDerWaalsContact O-CB 3.24Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 2.92Å |
| 533 | H | 67.4 | Low | 60 | Low | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 175 | -83 | -62.2 | 0 | 0 | 0 | 111.8 | T529 D530 K536 A537 | T529-H533 VanDerWaalsContact CG2-CD2 3.41Å; T529-H533 WeakPolarHBondContact CG2-CD2 3.11Å; T529-H533 WeakPolarHBondContact O-CB 3.29Å; T529-H533 PolarHBondContact O-CD2 3.23Å; T529-H533 PolarHBondContact O-N 3.03Å; D530-H533 PolarHBondContact O-N 3.01Å; H533-K536 PolarHBondContact O-N 3.41Å; H533-A537 WeakPolarHBondContact O-CB 3.33Å; H533-A537 PolarHBondContact O-N 3.36Å |
| 534 | E | 62.5 | Low | 58.9 | Low | 90 Ų | 90 | 47.7 Ų | 47.7 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 174 | -76.8 | -179.8 | -174.3 | 0 | 0 | 111.5 | R266 D530 K536 A537 G538 | R266-E534 WeakPolarHBondContact CD-OE1 3.22Å; R266-E534 VanDerWaalsContact CD-OE2 3.3Å; R266-E534 WeakPolarHBondContact CD-OE2 3.31Å; R266-E534 IonicContact CZ-OE1 2.71Å; R266-E534 IonicContact NE-OE1 3.74Å; R266-E534 IonicContact NH1-OE1 3.5Å; R266-E534 PolarHBondContact NH1-OE1 3.14Å; D530-E534 WeakPolarHBondContact O-CB 2.91Å; D530-E534 WeakPolarHBondContact O-CG 3.21Å; D530-E534 PolarHBondContact O-N 2.87Å; E534-K536 VanDerWaalsContact C-N 3.31Å; E534-K536 PolarHBondContact O-N 3.39Å; E534-A537 PolarHBondContact O-N 3.2Å; E534-G538 PolarHBondContact O-N 2.89Å |
| 535 | W | 60.2 | Low | 58.1 | Low | 75 Ų | 75 | 48.2 Ų | 48.2 | 28% | 0.284 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175 | 178.5 | 79.8 | 0 | 0 | 0 | 111.7 | K337 A340 Q531 G538 M539 | K337-W535 VanDerWaalsContact CA-CH2 3.44Å; K337-W535 HydrophobicContact CB-CH2 3.45Å; K337-W535 VanDerWaalsContact CB-CH2 3.45Å; K337-W535 HydrophobicContact CB-CZ2 4.09Å; K337-W535 HydrophobicContact CB-CZ3 4.26Å; K337-W535 HydrophobicContact CD-CH2 4.14Å; K337-W535 HydrophobicContact CD-CZ3 4.18Å; K337-W535 HydrophobicContact CG-CH2 3.43Å; K337-W535 VanDerWaalsContact CG-CH2 3.43Å; K337-W535 HydrophobicContact CG-CZ2 4.34Å; K337-W535 HydrophobicContact CG-CZ3 3.74Å; A340-W535 HydrophobicContact CB-CD2 4.22Å; A340-W535 HydrophobicContact CB-CG 4.4Å; A340-W535 HydrophobicContact CB-CZ2 3.73Å; Q531-W535 WeakPolarHBondContact O-CB 3.31Å; Q531-W535 PolarHBondContact O-N 2.85Å; W535-G538 PolarHBondContact O-N 3.02Å; W535-M539 HydrophobicContact CD2-CG 4.2Å; W535-M539 HydrophobicContact CD2-SD 4.36Å; W535-M539 HydrophobicContact CE3-SD 4.35Å; W535-M539 HydrophobicContact CH2-CG 4.15Å; W535-M539 HydrophobicContact CH2-SD 3.08Å; W535-M539 WeakPolarHBondContact CH2-SD 3.33Å; W535-M539 HydrophobicContact CZ2-CE 4.5Å; W535-M539 HydrophobicContact CZ2-CG 3.84Å; W535-M539 HydrophobicContact CZ2-SD 3.1Å; W535-M539 WeakPolarHBondContact CZ2-SD 3.33Å; W535-M539 HydrophobicContact CZ3-CG 4.48Å; W535-M539 HydrophobicContact CZ3-SD 3.76Å; W535-M539 WeakPolarHBondContact O-CB 3.48Å; W535-M539 WeakPolarHBondContact O-CG 3.22Å; W535-M539 PolarHBondContact O-N 3.31Å |
| 536 | K | 60.7 | Low | 56.7 | Low | 105 Ų | 105 | 51.6 Ų | 51.6 | 46% | 0.457 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176 | -176.6 | -178.1 | 176.9 | -172.4 | 0 | 111.6 | L381 L532 H533 E534 M539 L540 | L381-K536 HydrophobicContact CD2-CD 3.93Å; L532-K536 VanDerWaalsContact O-CB 3.24Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 2.92Å; H533-K536 PolarHBondContact O-N 3.41Å; E534-K536 VanDerWaalsContact C-N 3.31Å; E534-K536 PolarHBondContact O-N 3.39Å; K536-M539 PolarHBondContact O-N 2.85Å; K536-L540 HydrophobicContact CG-CD1 4.26Å; K536-L540 WeakPolarHBondContact O-CG 3.35Å; K536-L540 PolarHBondContact O-N 3.04Å |
| 537 | A | 58.9 | Low | 55.6 | Low | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H533 E534 M539 L540 S541 | H533-A537 WeakPolarHBondContact O-CB 3.33Å; H533-A537 PolarHBondContact O-N 3.36Å; E534-A537 PolarHBondContact O-N 3.2Å; A537-M539 VanDerWaalsContact C-N 3.3Å; A537-M539 PolarHBondContact O-N 2.66Å; A537-L540 CarbonylContact O-C 3.58Å; A537-L540 WeakPolarHBondContact O-CA 3.48Å; A537-L540 WeakPolarHBondContact O-CB 3.35Å; A537-L540 PolarHBondContact O-N 3.02Å; A537-S541 PolarHBondContact O-N 3.28Å; A537-S541 PolarHBondContact O-OG 2.98Å; A537-S541 VanDerWaalsContact O-OG 3.11Å |
| 538 | G | 49.3 | Very low | 54.8 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E534 W535 A542 | E534-G538 PolarHBondContact O-N 2.89Å; W535-G538 PolarHBondContact O-N 3.02Å; G538-A542 WeakPolarHBondContact O-CB 3.27Å; G538-A542 PolarHBondContact O-N 3.18Å |
| 539 | M | 49.5 | Very low | 53.8 | Low | 41 Ų | 41 | 59.2 Ų | 59.2 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 170.8 | -81.6 | -150.5 | 81.9 | 0 | 0 | 113.1 | W535 K536 A537 R543 | W535-M539 HydrophobicContact CD2-CG 4.2Å; W535-M539 HydrophobicContact CD2-SD 4.36Å; W535-M539 HydrophobicContact CE3-SD 4.35Å; W535-M539 HydrophobicContact CH2-CG 4.15Å; W535-M539 HydrophobicContact CH2-SD 3.08Å; W535-M539 WeakPolarHBondContact CH2-SD 3.33Å; W535-M539 HydrophobicContact CZ2-CE 4.5Å; W535-M539 HydrophobicContact CZ2-CG 3.84Å; W535-M539 HydrophobicContact CZ2-SD 3.1Å; W535-M539 WeakPolarHBondContact CZ2-SD 3.33Å; W535-M539 HydrophobicContact CZ3-CG 4.48Å; W535-M539 HydrophobicContact CZ3-SD 3.76Å; W535-M539 WeakPolarHBondContact O-CB 3.48Å; W535-M539 WeakPolarHBondContact O-CG 3.22Å; W535-M539 PolarHBondContact O-N 3.31Å; K536-M539 PolarHBondContact O-N 2.85Å; A537-M539 VanDerWaalsContact C-N 3.3Å; A537-M539 PolarHBondContact O-N 2.66Å; M539-R543 WeakPolarHBondContact O-CB 3.32Å; M539-R543 WeakPolarHBondContact O-CG 3.41Å; M539-R543 PolarHBondContact O-N 3.38Å |
| 540 | L | 50.7 | Low | 52.6 | Low | 83 Ų | 83 | 64.4 Ų | 64.4 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -47.9 | 175.8 | -76.1 | 163.6 | 0 | 0 | 0 | 110.4 | K536 A537 A542 R543 Q544 | K536-L540 HydrophobicContact CG-CD1 4.26Å; K536-L540 WeakPolarHBondContact O-CG 3.35Å; K536-L540 PolarHBondContact O-N 3.04Å; A537-L540 CarbonylContact O-C 3.58Å; A537-L540 WeakPolarHBondContact O-CA 3.48Å; A537-L540 WeakPolarHBondContact O-CB 3.35Å; A537-L540 PolarHBondContact O-N 3.02Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 3.42Å; L540-R543 CarbonylContact O-C 3.55Å; L540-R543 WeakPolarHBondContact O-CB 3.48Å; L540-R543 PolarHBondContact O-N 3.04Å; L540-R543 VanDerWaalsContact O-N 3.11Å; L540-Q544 WeakPolarHBondContact O-CG 3.49Å; L540-Q544 PolarHBondContact O-N 3.26Å |
| 541 | S | 44.1 | Very low | 51.8 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 173.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | A537 Q544 A545 | A537-S541 PolarHBondContact O-N 3.28Å; A537-S541 PolarHBondContact O-OG 2.98Å; A537-S541 VanDerWaalsContact O-OG 3.11Å; S541-Q544 PolarHBondContact O-N 3.07Å; S541-A545 VanDerWaalsContact O-CB 3.23Å; S541-A545 WeakPolarHBondContact O-CB 3.49Å; S541-A545 PolarHBondContact O-N 2.87Å |
| 542 | A | 40.8 | Very low | 51 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G538 L540 I546 | G538-A542 WeakPolarHBondContact O-CB 3.27Å; G538-A542 PolarHBondContact O-N 3.18Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 3.42Å; A542-I546 WeakPolarHBondContact O-CB 3.2Å; A542-I546 WeakPolarHBondContact O-CD1 3.23Å; A542-I546 WeakPolarHBondContact O-CG1 3.45Å; A542-I546 PolarHBondContact O-N 2.92Å |
| 543 | R | 45.5 | Very low | 50.1 | Low | 120 Ų | 120 | 74.7 Ų | 74.7 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 173.7 | -83.9 | -176.7 | -178.3 | 168.4 | 8.7 | 111.8 | M333 M539 L540 I546 A547 | M333-R543 VanDerWaalsContact CE-NH2 3.25Å; M333-R543 VanDerWaalsContact SD-CZ 3.58Å; M333-R543 PolarHBondContact SD-NH2 3.4Å; M539-R543 WeakPolarHBondContact O-CB 3.32Å; M539-R543 WeakPolarHBondContact O-CG 3.41Å; M539-R543 PolarHBondContact O-N 3.38Å; L540-R543 CarbonylContact O-C 3.55Å; L540-R543 WeakPolarHBondContact O-CB 3.48Å; L540-R543 PolarHBondContact O-N 3.04Å; L540-R543 VanDerWaalsContact O-N 3.11Å; R543-I546 PolarHBondContact O-N 2.96Å; R543-A547 VanDerWaalsContact O-CB 3.28Å; R543-A547 WeakPolarHBondContact O-CB 3.34Å; R543-A547 PolarHBondContact O-N 3.46Å |
| 544 | Q | 46.7 | Very low | 49.1 | Very low | 104 Ų | 104 | 75.8 Ų | 75.8 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 174.6 | -73.9 | 171.1 | -39 | 0 | 0 | 110.3 | L540 S541 I546 A547 W548 W641 | L540-Q544 WeakPolarHBondContact O-CG 3.49Å; L540-Q544 PolarHBondContact O-N 3.26Å; S541-Q544 PolarHBondContact O-N 3.07Å; Q544-I546 PolarHBondContact O-N 2.84Å; Q544-A547 PolarHBondContact O-N 2.79Å; Q544-W548 VanDerWaalsContact O-CB 3.26Å; Q544-W548 WeakPolarHBondContact O-CB 3.25Å; Q544-W548 PolarHBondContact O-N 3.38Å; Q544-W641 HydrophobicContact CB-CH2 4.28Å; Q544-W641 HydrophobicContact CB-CZ2 4.41Å |
| 545 | A | 42.3 | Very low | 48.2 | Very low | 10 Ų | 10 | 76.7 Ų | 76.7 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S541 W548 I549 Y638 | S541-A545 VanDerWaalsContact O-CB 3.23Å; S541-A545 WeakPolarHBondContact O-CB 3.49Å; S541-A545 PolarHBondContact O-N 2.87Å; A545-W548 PolarHBondContact O-N 3.12Å; A545-I549 WeakPolarHBondContact O-CB 3.34Å; A545-I549 WeakPolarHBondContact O-CD1 3.02Å; A545-I549 WeakPolarHBondContact O-CG1 3.46Å; A545-I549 PolarHBondContact O-N 3.23Å; A545-Y638 HydrophobicContact CB-CE1 4.09Å |
| 546 | I | 43.5 | Very low | 47.1 | Very low | 72 Ų | 72 | 77.8 Ų | 77.8 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.9 | -72.9 | 163 | 0 | 0 | 0 | 110.8 | A542 R543 Q544 W548 I549 E550 | A542-I546 WeakPolarHBondContact O-CB 3.2Å; A542-I546 WeakPolarHBondContact O-CD1 3.23Å; A542-I546 WeakPolarHBondContact O-CG1 3.45Å; A542-I546 PolarHBondContact O-N 2.92Å; R543-I546 PolarHBondContact O-N 2.96Å; Q544-I546 PolarHBondContact O-N 2.84Å; I546-W548 VanDerWaalsContact C-N 3.27Å; I546-W548 PolarHBondContact O-N 2.85Å; I546-I549 CarbonylContact O-C 3.54Å; I546-I549 PolarHBondContact O-N 3.05Å; I546-E550 HydrophobicContact CG2-CG 4.25Å; I546-E550 WeakPolarHBondContact O-CB 3.38Å; I546-E550 VanDerWaalsContact O-CG 3.31Å; I546-E550 WeakPolarHBondContact O-CG 3.24Å; I546-E550 PolarHBondContact O-N 3.43Å |
| 547 | A | 47.9 | Very low | 46 | Very low | 54 Ų | 54 | 78.5 Ų | 78.5 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R543 Q544 Y551 | R543-A547 VanDerWaalsContact O-CB 3.28Å; R543-A547 WeakPolarHBondContact O-CB 3.34Å; R543-A547 PolarHBondContact O-N 3.46Å; Q544-A547 PolarHBondContact O-N 2.79Å; A547-Y551 WeakPolarHBondContact O-CB 3.49Å; A547-Y551 PolarHBondContact O-N 3.45Å |
| 548 | W | 50.2 | Low | 45.3 | Very low | 100 Ų | 100 | 83 Ų | 83 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 172.8 | -178.1 | 77.4 | 0 | 0 | 0 | 111.6 | Q544 A545 I546 E550 Y551 E552 | Q544-W548 VanDerWaalsContact O-CB 3.26Å; Q544-W548 WeakPolarHBondContact O-CB 3.25Å; Q544-W548 PolarHBondContact O-N 3.38Å; A545-W548 PolarHBondContact O-N 3.12Å; I546-W548 VanDerWaalsContact C-N 3.27Å; I546-W548 PolarHBondContact O-N 2.85Å; W548-E550 VanDerWaalsContact C-N 3.33Å; W548-E550 PolarHBondContact O-N 3.34Å; W548-Y551 CarbonylContact O-C 3.55Å; W548-Y551 WeakPolarHBondContact O-CB 3.31Å; W548-Y551 PolarHBondContact O-N 3.45Å; W548-Y551 VanDerWaalsContact O-N 3.16Å; W548-E552 HydrophobicContact CD2-CG 3.81Å; W548-E552 VanDerWaalsContact CE2-CG 3.41Å; W548-E552 HydrophobicContact CE3-CG 4.17Å; W548-E552 HydrophobicContact CG-CG 4.42Å; W548-E552 HydrophobicContact CH2-CG 3.85Å; W548-E552 HydrophobicContact CZ2-CG 3.44Å; W548-E552 VanDerWaalsContact CZ2-CG 3.44Å; W548-E552 HydrophobicContact CZ3-CG 4.18Å; W548-E552 PolarHBondContact NE1-OE1 3.41Å; W548-E552 WeakPolarHBondContact O-CB 3.3Å; W548-E552 VanDerWaalsContact O-CG 3.31Å; W548-E552 WeakPolarHBondContact O-CG 3.43Å; W548-E552 PolarHBondContact O-N 3.25Å |
| 549 | I | 44.2 | Very low | 44.9 | Very low | 39 Ų | 39 | 82.9 Ų | 82.9 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 173.6 | -71.6 | 163 | 0 | 0 | 0 | 110.4 | A545 I546 Y551 E552 W553 M561 | A545-I549 WeakPolarHBondContact O-CB 3.34Å; A545-I549 WeakPolarHBondContact O-CD1 3.02Å; A545-I549 WeakPolarHBondContact O-CG1 3.46Å; A545-I549 PolarHBondContact O-N 3.23Å; I546-I549 CarbonylContact O-C 3.54Å; I546-I549 PolarHBondContact O-N 3.05Å; I549-Y551 VanDerWaalsContact C-N 3.34Å; I549-E552 PolarHBondContact O-N 3.05Å; I549-W553 WeakPolarHBondContact O-CB 3.4Å; I549-W553 PolarHBondContact O-N 2.91Å; I549-M561 HydrophobicContact CD1-CE 4.42Å; I549-M561 HydrophobicContact CD1-SD 3.81Å |
| 550 | E | 44.7 | Very low | 44.5 | Very low | 122 Ų | 122 | 84 Ų | 84 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 174.3 | -75.1 | 175.3 | 171.9 | 0 | 0 | 111.1 | I546 W548 W553 V554 | I546-E550 HydrophobicContact CG2-CG 4.25Å; I546-E550 WeakPolarHBondContact O-CB 3.38Å; I546-E550 VanDerWaalsContact O-CG 3.31Å; I546-E550 WeakPolarHBondContact O-CG 3.24Å; I546-E550 PolarHBondContact O-N 3.43Å; W548-E550 VanDerWaalsContact C-N 3.33Å; W548-E550 PolarHBondContact O-N 3.34Å; E550-W553 PolarHBondContact O-N 3.01Å; E550-V554 WeakPolarHBondContact O-CB 3.29Å; E550-V554 VanDerWaalsContact O-CG2 3.22Å; E550-V554 WeakPolarHBondContact O-CG2 3.35Å; E550-V554 PolarHBondContact O-N 2.85Å |
| 551 | Y | 50.9 | Low | 44.1 | Very low | 130 Ų | 130 | 83.6 Ų | 83.6 | 51% | 0.51 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -51 | 174.1 | 177.2 | -93.9 | 0 | 0 | 0 | 111.6 | A547 W548 I549 W553 V554 H555 | A547-Y551 WeakPolarHBondContact O-CB 3.49Å; A547-Y551 PolarHBondContact O-N 3.45Å; W548-Y551 CarbonylContact O-C 3.55Å; W548-Y551 WeakPolarHBondContact O-CB 3.31Å; W548-Y551 PolarHBondContact O-N 3.45Å; W548-Y551 VanDerWaalsContact O-N 3.16Å; I549-Y551 VanDerWaalsContact C-N 3.34Å; Y551-W553 VanDerWaalsContact C-N 3.31Å; Y551-W553 PolarHBondContact O-N 2.89Å; Y551-V554 PolarHBondContact O-N 3.34Å; Y551-H555 AromaticContact CD2-CE1 3.63Å; Y551-H555 AromaticContact CD2-ND1 3.51Å; Y551-H555 AromaticContact CE2-CE1 3.58Å; Y551-H555 AromaticContact CE2-ND1 3.59Å; Y551-H555 AromaticContact CG-ND1 3.93Å; Y551-H555 WeakPolarHBondContact O-CB 3.13Å; Y551-H555 PolarHBondContact O-N 3.06Å; Y551-H555 PolarHBondContact O-ND1 3.48Å |
| 552 | E | 47.5 | Very low | 44 | Very low | 54 Ų | 54 | 83.4 Ų | 83.4 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 176.5 | -70.3 | -67.7 | 145.9 | 0 | 0 | 112 | W548 I549 H555 S556 N557 | W548-E552 HydrophobicContact CD2-CG 3.81Å; W548-E552 VanDerWaalsContact CE2-CG 3.41Å; W548-E552 HydrophobicContact CE3-CG 4.17Å; W548-E552 HydrophobicContact CG-CG 4.42Å; W548-E552 HydrophobicContact CH2-CG 3.85Å; W548-E552 HydrophobicContact CZ2-CG 3.44Å; W548-E552 VanDerWaalsContact CZ2-CG 3.44Å; W548-E552 HydrophobicContact CZ3-CG 4.18Å; W548-E552 PolarHBondContact NE1-OE1 3.41Å; W548-E552 WeakPolarHBondContact O-CB 3.3Å; W548-E552 VanDerWaalsContact O-CG 3.31Å; W548-E552 WeakPolarHBondContact O-CG 3.43Å; W548-E552 PolarHBondContact O-N 3.25Å; I549-E552 PolarHBondContact O-N 3.05Å; E552-H555 PolarHBondContact O-N 3.29Å; E552-S556 PolarHBondContact O-N 3.06Å; E552-N557 PolarHBondContact O-N 3.31Å |
| 553 | W | 43.9 | Very low | 44 | Very low | 139 Ų | 139 | 89.5 Ų | 89.5 | 53% | 0.527 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.8 | -176.1 | -82.4 | 0 | 0 | 0 | 111.6 | I549 E550 Y551 C559 | I549-W553 WeakPolarHBondContact O-CB 3.4Å; I549-W553 PolarHBondContact O-N 2.91Å; E550-W553 PolarHBondContact O-N 3.01Å; Y551-W553 VanDerWaalsContact C-N 3.31Å; Y551-W553 PolarHBondContact O-N 2.89Å; W553-C559 VanDerWaalsContact CZ3-O 3.3Å; W553-C559 WeakPolarHBondContact CZ3-O 3.25Å |
| 554 | V | 46.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 84.8 Ų | 84.8 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -77.3 | -30.3 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | E550 Y551 | E550-V554 WeakPolarHBondContact O-CB 3.29Å; E550-V554 VanDerWaalsContact O-CG2 3.22Å; E550-V554 WeakPolarHBondContact O-CG2 3.35Å; E550-V554 PolarHBondContact O-N 2.85Å; Y551-V554 PolarHBondContact O-N 3.34Å |
| 555 | H | 45.1 | Very low | 43.2 | Very low | 108 Ų | 108 | 83.2 Ų | 83.2 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -108.6 | 14.2 | -169.8 | -62.3 | 85.1 | 0 | 0 | 0 | 115.7 | Y551 E552 | Y551-H555 AromaticContact CD2-CE1 3.63Å; Y551-H555 AromaticContact CD2-ND1 3.51Å; Y551-H555 AromaticContact CE2-CE1 3.58Å; Y551-H555 AromaticContact CE2-ND1 3.59Å; Y551-H555 AromaticContact CG-ND1 3.93Å; Y551-H555 WeakPolarHBondContact O-CB 3.13Å; Y551-H555 PolarHBondContact O-N 3.06Å; Y551-H555 PolarHBondContact O-ND1 3.48Å; E552-H555 PolarHBondContact O-N 3.29Å |
| 556 | S | 36.6 | Very low | 42.8 | Very low | 99 Ų | 99 | 89 Ų | 89 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | 51.7 | 163.4 | -39.6 | 0 | 0 | 0 | 0 | 118.2 | E552 | E552-S556 PolarHBondContact O-N 3.06Š|
| 557 | N | 38 | Very low | 42.4 | Very low | 119 Ų | 119 | 90 Ų | 90 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | trans | -147.3 | 141 | 149.9 | -88.4 | -44.3 | 0 | 0 | 0 | 113.7 | E552 | E552-N557 PolarHBondContact O-N 3.31Š| ||
| 558 | R | 43.7 | Very low | 41.5 | Very low | 143 Ų | 143 | 93 Ų | 93 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | trans | -88.2 | 101.9 | -160.9 | -65.6 | 157.6 | 165.3 | 177.4 | 7.2 | 111.8 | R598 H599 Q600 | R558-R598 PolarHBondContact NH1-O 3.47Å; R558-H599 HydrophobicContact CB-CB 4.01Å; R558-H599 VanDerWaalsContact CD-CE1 3.44Å; R558-H599 WeakPolarHBondContact CD-CE1 3.22Å; R558-H599 WeakPolarHBondContact CD-ND1 3.23Å; R558-H599 PolarHBondContact NE-CE1 2.91Å; R558-H599 PolarHBondContact NE-ND1 3.02Å; R558-Q600 VanDerWaalsContact O-O 3.08Å | ||
| 559 | C | 41.7 | Very low | 40.5 | Very low | 40 Ų | 40 | 93.9 Ų | 93.9 | 27% | 0.27 | 50% | 0.496 | S | S | . | . | trans | -134.1 | 133.2 | -179.9 | -163.8 | 0 | 0 | 0 | 0 | 113.2 | W553 | W553-C559 VanDerWaalsContact CZ3-O 3.3Å; W553-C559 WeakPolarHBondContact CZ3-O 3.25Å | ||
| 560 | L | 41 | Very low | 39.6 | Very low | 63 Ų | 63 | 100 Ų | 100 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | trans | -118.4 | 104 | 174.7 | -158.6 | 126.3 | 0 | 0 | 0 | 108.9 | V562 L590 | L560-V562 HydrophobicContact CD2-CG2 3.8Å; L560-V562 PolarHBondContact O-N 3.35Å; L560-L590 HydrophobicContact CD1-CD1 4.33Å; L560-L590 HydrophobicContact CD2-CD1 3.74Å | ||
| 561 | M | 42.5 | Very low | 38.8 | Very low | 76 Ų | 76 | 102.9 Ų | 102.9 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | trans | -84.2 | 112 | -177.8 | -174 | -177.5 | 69 | 0 | 0 | 110.5 | I549 L604 | I549-M561 HydrophobicContact CD1-CE 4.42Å; I549-M561 HydrophobicContact CD1-SD 3.81Å; M561-L604 HydrophobicContact CG-CD1 3.97Å; M561-L604 HydrophobicContact SD-CD1 4.04Å | ||
| 562 | V | 42.1 | Very low | 37.7 | Very low | 35 Ų | 35 | 108.1 Ų | 108.1 | 21% | 0.212 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.5 | 170.5 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | L560 L583 | L560-V562 HydrophobicContact CD2-CG2 3.8Å; L560-V562 PolarHBondContact O-N 3.35Å; V562-L583 HydrophobicContact CB-CD2 4.27Å; V562-L583 HydrophobicContact CG1-CD2 3.26Å |
| 563 | R | 40.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 114.9 Ų | 114.9 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.7 | -175.5 | -157.9 | 179.8 | -171.3 | 162.3 | 4.6 | 108.9 | S565 | R563-S565 PolarHBondContact O-N 3.22Å |
| 564 | T | 39 | Very low | 35.8 | Very low | 21 Ų | 21 | 111.2 Ų | 111.2 | 13% | 0.129 | 59% | 0.59 | C | S | . | * | trans | -81.3 | 92 | 168.3 | 55.4 | 0 | 0 | 0 | 0 | 108.1 | L583 | T564-L583 HydrophobicContact CG2-CD1 3.29Å; T564-L583 HydrophobicContact CG2-CD2 4.14Å; T564-L583 HydrophobicContact CG2-CG 4.29Å | ||
| 565 | S | 35.8 | Very low | 35 | Very low | 72 Ų | 72 | 115.3 Ų | 115.3 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | trans | -93.4 | 121.2 | 164.8 | 59.9 | 0 | 0 | 0 | 0 | 108.9 | R563 S567 | R563-S565 PolarHBondContact O-N 3.22Å; S565-S567 PolarHBondContact O-N 3.05Å; S565-S567 PolarHBondContact O-OG 3.35Å | ||
| 566 | D | 34.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -50.3 | 95.2 | 171.4 | -66.3 | -28.6 | 0 | 0 | 0 | 111.1 | ||
| 567 | S | 35.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -159.9 | 4.1 | 167.2 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | S565 S569 | S565-S567 PolarHBondContact O-N 3.05Å; S565-S567 PolarHBondContact O-OG 3.35Å; S567-S569 PolarHBondContact O-N 2.87Å | ||
| 568 | C | 28.7 | Very low | 35.3 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 79% | 0.791 | 61% | 0.611 | S | S | * | * | trans | -95.7 | 65.4 | 169.5 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 569 | S | 28.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 112.8 Ų | 112.8 | 83% | 0.825 | 61% | 0.609 | S | S | * | * | trans | -128.2 | 12.9 | 166.2 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | S567 | S567-S569 PolarHBondContact O-N 2.87Š| ||
| 570 | E | 26.8 | Very low | 35.9 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -95.7 | 111.2 | 162.7 | -71.9 | -167.4 | 162.8 | 0 | 0 | 109.1 | ||
| 571 | K | 26.5 | Very low | 36.3 | Very low | 182 Ų | 182 | 111.1 Ų | 111.1 | 79% | 0.791 | 60% | 0.597 | S | S | * | * | trans | 86.3 | 114.8 | 176.1 | -49.4 | 158.2 | -172.8 | 179.8 | 0 | 110.9 | ||||
| 572 | W | 27.7 | Very low | 36.7 | Very low | 240 Ų | 240 | 113.9 Ų | 113.9 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | -144.4 | 148.3 | 55.5 | -81.8 | 69 | 0 | 0 | 0 | 112.8 | |||||
| 573 | E | 26.1 | Very low | 37.2 | Very low | 197 Ų | 197 | 113.4 Ų | 113.4 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -71.7 | 121.3 | 163.5 | -68.7 | 176.8 | 152.2 | 0 | 0 | 108.7 | ||
| 574 | G | 26.7 | Very low | 37.7 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 98 | 125.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 575 | E | 29.6 | Very low | 38.5 | Very low | 192 Ų | 192 | 113.3 Ų | 113.3 | 90% | 0.897 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 78 | 122.5 | 179.3 | -59.3 | -174.9 | 166.1 | 0 | 0 | 116.6 | A577 | E575-A577 VanDerWaalsContact C-N 3.27Å; E575-A577 PolarHBondContact O-N 3.03Å |
| 576 | L | 34.6 | Very low | 39.3 | Very low | 187 Ų | 187 | 114.7 Ų | 114.7 | 98% | 0.979 | 60% | 0.603 | S | S | * | * | trans | -60.6 | 82.8 | 169.3 | -76.6 | 137.4 | 0 | 0 | 0 | 109.4 | D578 | L576-D578 PolarHBondContact O-N 2.87Å; L576-D578 VanDerWaalsContact O-N 3.15Å | ||
| 577 | A | 38.6 | Very low | 40.3 | Very low | 82 Ų | 82 | 109.9 Ų | 109.9 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | trans | -76.1 | 100.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | E575 V579 | E575-A577 VanDerWaalsContact C-N 3.27Å; E575-A577 PolarHBondContact O-N 3.03Å; A577-V579 PolarHBondContact O-N 3.3Å | ||
| 578 | D | 52.5 | Low | 41.3 | Very low | 67 Ų | 67 | 108.7 Ų | 108.7 | 36% | 0.358 | 56% | 0.562 | S | S | . | * | trans | -66.4 | 111.4 | 172.2 | -168.7 | -14.8 | 0 | 0 | 0 | 109.1 | L576 T580 L581 E582 | L576-D578 PolarHBondContact O-N 2.87Å; L576-D578 VanDerWaalsContact O-N 3.15Å; D578-T580 PolarHBondContact O-N 3.07Å; D578-T580 WeakPolarHBondContact OD1-CB 3.49Å; D578-T580 PolarHBondContact OD1-N 3.44Å; D578-T580 PolarHBondContact OD1-OG1 3.41Å; D578-L581 HydrophobicContact CB-CB 4.16Å; D578-L581 VanDerWaalsContact O-CB 3.29Å; D578-L581 WeakPolarHBondContact O-CB 3.4Å; D578-L581 PolarHBondContact O-N 3.43Å; D578-E582 PolarHBondContact O-N 3.39Å | ||
| 579 | V | 48.7 | Very low | 42.6 | Very low | 80 Ų | 80 | 108.4 Ų | 108.4 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -53.1 | -27.7 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | A577 L583 | A577-V579 PolarHBondContact O-N 3.3Å; V579-L583 WeakPolarHBondContact O-CD1 3.43Å; V579-L583 WeakPolarHBondContact O-CG 3.47Å; V579-L583 PolarHBondContact O-N 3.24Å |
| 580 | T | 49 | Very low | 43.7 | Very low | 16 Ų | 16 | 106 Ų | 106 | 10% | 0.098 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.5 | -42.7 | 0 | 0 | 0 | 0 | 112 | D578 L583 V584 I617 Q620 | D578-T580 PolarHBondContact O-N 3.07Å; D578-T580 WeakPolarHBondContact OD1-CB 3.49Å; D578-T580 PolarHBondContact OD1-N 3.44Å; D578-T580 PolarHBondContact OD1-OG1 3.41Å; T580-L583 PolarHBondContact O-N 3.49Å; T580-V584 WeakPolarHBondContact O-CG2 3.49Å; T580-V584 PolarHBondContact O-N 3.43Å; T580-I617 HydrophobicContact CG2-CB 4.12Å; T580-I617 HydrophobicContact CG2-CG1 3.7Å; T580-Q620 HydrophobicContact CG2-CB 3.93Å; T580-Q620 HydrophobicContact CG2-CG 4.13Å |
| 581 | L | 49.7 | Very low | 45 | Very low | 51 Ų | 51 | 101.9 Ų | 101.9 | 27% | 0.267 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -33.5 | -178.9 | -165.8 | 74.4 | 0 | 0 | 0 | 112 | D578 R585 | D578-L581 HydrophobicContact CB-CB 4.16Å; D578-L581 VanDerWaalsContact O-CB 3.29Å; D578-L581 WeakPolarHBondContact O-CB 3.4Å; D578-L581 PolarHBondContact O-N 3.43Å; L581-R585 WeakPolarHBondContact O-CB 3.42Å; L581-R585 VanDerWaalsContact O-CG 3.23Å; L581-R585 WeakPolarHBondContact O-CG 3.39Å; L581-R585 PolarHBondContact O-N 3.24Å |
| 582 | E | 51 | Low | 46.5 | Very low | 134 Ų | 134 | 100.1 Ų | 100.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 174.7 | -78.8 | -159.2 | 152.7 | 0 | 0 | 112.3 | D578 R585 M586 | D578-E582 PolarHBondContact O-N 3.39Å; E582-R585 PolarHBondContact O-N 2.86Å; E582-M586 WeakPolarHBondContact O-CB 3.35Å; E582-M586 PolarHBondContact O-N 3.38Å |
| 583 | L | 52.6 | Low | 47.3 | Very low | 26 Ų | 26 | 95.5 Ų | 95.5 | 14% | 0.136 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 178.9 | -70.1 | 159.9 | 0 | 0 | 0 | 111.9 | V562 T564 V579 T580 M586 Y587 | V562-L583 HydrophobicContact CB-CD2 4.27Å; V562-L583 HydrophobicContact CG1-CD2 3.26Å; T564-L583 HydrophobicContact CG2-CD1 3.29Å; T564-L583 HydrophobicContact CG2-CD2 4.14Å; T564-L583 HydrophobicContact CG2-CG 4.29Å; V579-L583 WeakPolarHBondContact O-CD1 3.43Å; V579-L583 WeakPolarHBondContact O-CG 3.47Å; V579-L583 PolarHBondContact O-N 3.24Å; T580-L583 PolarHBondContact O-N 3.49Å; L583-M586 WeakPolarHBondContact O-CB 3.42Å; L583-M586 PolarHBondContact O-N 3.16Å; L583-Y587 PolarHBondContact O-N 3.45Å |
| 584 | V | 51.3 | Low | 48.3 | Very low | 6 Ų | 6 | 91.9 Ų | 91.9 | 4% | 0.036 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | T580 Y587 D588 Q620 D624 V626 | T580-V584 WeakPolarHBondContact O-CG2 3.49Å; T580-V584 PolarHBondContact O-N 3.43Å; V584-Y587 WeakPolarHBondContact O-CB 3.49Å; V584-Y587 PolarHBondContact O-N 2.85Å; V584-D588 PolarHBondContact O-N 3.33Å; V584-Q620 HydrophobicContact CG2-CG 4.33Å; V584-D624 HydrophobicContact CG1-CB 3.33Å; V584-D624 WeakPolarHBondContact CG1-OD2 3.4Å; V584-V626 HydrophobicContact CG1-CG2 4.02Å |
| 585 | R | 54 | Low | 49.4 | Very low | 158 Ų | 158 | 93.4 Ų | 93.4 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 172.4 | -73.5 | 175.6 | 176.9 | -172.7 | 0.6 | 113.1 | L581 E582 Y587 L589 | L581-R585 WeakPolarHBondContact O-CB 3.42Å; L581-R585 VanDerWaalsContact O-CG 3.23Å; L581-R585 WeakPolarHBondContact O-CG 3.39Å; L581-R585 PolarHBondContact O-N 3.24Å; E582-R585 PolarHBondContact O-N 2.86Å; R585-Y587 VanDerWaalsContact C-N 3.31Å; R585-L589 WeakPolarHBondContact O-CB 3.46Å; R585-L589 PolarHBondContact O-N 3.34Å; R585-L589 VanDerWaalsContact O-N 3.11Å |
| 586 | M | 53.2 | Low | 50.5 | Low | 101 Ų | 101 | 89 Ų | 89 | 50% | 0.498 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.5 | -111.1 | -173.4 | 64.3 | 0 | 0 | 111.6 | E582 L583 L589 L590 | E582-M586 WeakPolarHBondContact O-CB 3.35Å; E582-M586 PolarHBondContact O-N 3.38Å; L583-M586 WeakPolarHBondContact O-CB 3.42Å; L583-M586 PolarHBondContact O-N 3.16Å; M586-L589 WeakPolarHBondContact O-CB 3.29Å; M586-L589 PolarHBondContact O-N 3.38Å; M586-L590 HydrophobicContact CE-CD1 4.49Å; M586-L590 VanDerWaalsContact O-CG 3.32Å; M586-L590 WeakPolarHBondContact O-CG 3.45Å; M586-L590 PolarHBondContact O-N 3.18Å |
| 587 | Y | 55.5 | Low | 51 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.8 | 172.5 | -93.7 | 0 | 0 | 0 | 111.7 | L583 V584 R585 L589 L590 I591 V601 V626 I629 | L583-Y587 PolarHBondContact O-N 3.45Å; V584-Y587 WeakPolarHBondContact O-CB 3.49Å; V584-Y587 PolarHBondContact O-N 2.85Å; R585-Y587 VanDerWaalsContact C-N 3.31Å; Y587-L589 VanDerWaalsContact C-N 3.26Å; Y587-L589 PolarHBondContact O-N 3.08Å; Y587-L590 PolarHBondContact O-N 3.35Å; Y587-I591 HydrophobicContact CD1-CD1 3.51Å; Y587-I591 HydrophobicContact CD1-CG1 4.4Å; Y587-I591 HydrophobicContact CD2-CD1 4.44Å; Y587-I591 HydrophobicContact CE1-CD1 2.95Å; Y587-I591 HydrophobicContact CE1-CG1 4.01Å; Y587-I591 HydrophobicContact CE2-CD1 4.01Å; Y587-I591 HydrophobicContact CE2-CG1 4.25Å; Y587-I591 HydrophobicContact CG-CD1 4.22Å; Y587-I591 WeakPolarHBondContact O-CG1 3.39Å; Y587-I591 PolarHBondContact O-N 3.24Å; Y587-V601 HydrophobicContact CD2-CB 4.35Å; Y587-V601 HydrophobicContact CD2-CG1 4.24Å; Y587-V601 HydrophobicContact CD2-CG2 4.16Å; Y587-V601 HydrophobicContact CE2-CB 3.79Å; Y587-V601 HydrophobicContact CE2-CG1 4.18Å; Y587-V601 HydrophobicContact CE2-CG2 3.53Å; Y587-V626 HydrophobicContact CD1-CB 4.07Å; Y587-V626 HydrophobicContact CD1-CG1 3.61Å; Y587-V626 HydrophobicContact CD1-CG2 3.38Å; Y587-V626 HydrophobicContact CE1-CB 3.63Å; Y587-V626 HydrophobicContact CE1-CG1 2.97Å; Y587-V626 HydrophobicContact CE1-CG2 3.4Å; Y587-V626 HydrophobicContact CE2-CG1 4.12Å; Y587-V626 HydrophobicContact CG-CG1 4.39Å; Y587-V626 HydrophobicContact CG-CG2 4.5Å; Y587-I629 HydrophobicContact CE2-CG1 4.48Å |
| 588 | D | 56.5 | Low | 51.5 | Low | 69 Ų | 69 | 91.4 Ų | 91.4 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -39.1 | 175.4 | -177.1 | 45.6 | 0 | 0 | 0 | 112.2 | V584 L590 K592 | V584-D588 PolarHBondContact O-N 3.33Å; D588-L590 PolarHBondContact O-N 2.89Å; D588-K592 WeakPolarHBondContact O-CB 3.39Å; D588-K592 WeakPolarHBondContact O-CD 3.41Å; D588-K592 VanDerWaalsContact O-CG 3.26Å; D588-K592 WeakPolarHBondContact O-CG 3.46Å; D588-K592 PolarHBondContact O-N 2.95Å; D588-K592 WeakPolarHBondContact OD1-CE 3.32Å; D588-K592 IonicContact OD1-NZ 2.59Å; D588-K592 PolarHBondContact OD1-NZ 2.92Å; D588-K592 IonicContact OD2-NZ 2.91Å; D588-K592 PolarHBondContact OD2-NZ 3.18Å |
| 589 | L | 55.8 | Low | 51.4 | Low | 110 Ų | 110 | 91.1 Ų | 91.1 | 58% | 0.576 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.5 | -33.3 | 174.1 | -97.9 | 153.9 | 0 | 0 | 0 | 114.3 | R585 M586 Y587 | R585-L589 WeakPolarHBondContact O-CB 3.46Å; R585-L589 PolarHBondContact O-N 3.34Å; R585-L589 VanDerWaalsContact O-N 3.11Å; M586-L589 WeakPolarHBondContact O-CB 3.29Å; M586-L589 PolarHBondContact O-N 3.38Å; Y587-L589 VanDerWaalsContact C-N 3.26Å; Y587-L589 PolarHBondContact O-N 3.08Å |
| 590 | L | 51.3 | Low | 51.6 | Low | 69 Ų | 69 | 93.9 Ų | 93.9 | 36% | 0.361 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.4 | -37 | -179.2 | -76.9 | 165.4 | 0 | 0 | 0 | 112.1 | L560 M586 Y587 D588 | L560-L590 HydrophobicContact CD1-CD1 4.33Å; L560-L590 HydrophobicContact CD2-CD1 3.74Å; M586-L590 HydrophobicContact CE-CD1 4.49Å; M586-L590 VanDerWaalsContact O-CG 3.32Å; M586-L590 WeakPolarHBondContact O-CG 3.45Å; M586-L590 PolarHBondContact O-N 3.18Å; Y587-L590 PolarHBondContact O-N 3.35Å; D588-L590 PolarHBondContact O-N 2.89Å |
| 591 | I | 54.8 | Low | 51.7 | Low | 80 Ų | 80 | 93.9 Ų | 93.9 | 41% | 0.41 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 175.4 | -56.4 | 159.8 | 0 | 0 | 0 | 111.5 | Y587 K593 | Y587-I591 HydrophobicContact CD1-CD1 3.51Å; Y587-I591 HydrophobicContact CD1-CG1 4.4Å; Y587-I591 HydrophobicContact CD2-CD1 4.44Å; Y587-I591 HydrophobicContact CE1-CD1 2.95Å; Y587-I591 HydrophobicContact CE1-CG1 4.01Å; Y587-I591 HydrophobicContact CE2-CD1 4.01Å; Y587-I591 HydrophobicContact CE2-CG1 4.25Å; Y587-I591 HydrophobicContact CG-CD1 4.22Å; Y587-I591 WeakPolarHBondContact O-CG1 3.39Å; Y587-I591 PolarHBondContact O-N 3.24Å; I591-K593 PolarHBondContact O-N 2.91Å |
| 592 | K | 57.2 | Low | 52.2 | Low | 146 Ų | 146 | 93.4 Ų | 93.4 | 64% | 0.635 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6.3 | -178.6 | -75.8 | 172.6 | 176.8 | 164.3 | 0 | 114.3 | D588 | D588-K592 WeakPolarHBondContact O-CB 3.39Å; D588-K592 WeakPolarHBondContact O-CD 3.41Å; D588-K592 VanDerWaalsContact O-CG 3.26Å; D588-K592 WeakPolarHBondContact O-CG 3.46Å; D588-K592 PolarHBondContact O-N 2.95Å; D588-K592 WeakPolarHBondContact OD1-CE 3.32Å; D588-K592 IonicContact OD1-NZ 2.59Å; D588-K592 PolarHBondContact OD1-NZ 2.92Å; D588-K592 IonicContact OD2-NZ 2.91Å; D588-K592 PolarHBondContact OD2-NZ 3.18Å |
| 593 | K | 45.8 | Very low | 52.8 | Low | 142 Ų | 142 | 87.6 Ų | 87.6 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -108 | 128.8 | 177.8 | -80.7 | -169.2 | 174.6 | -178.6 | 0 | 112.2 | I591 | I591-K593 PolarHBondContact O-N 2.91Š|
| 594 | P | 46.2 | Very low | 53.3 | Low | 121 Ų | 121 | 87 Ų | 87 | 79% | 0.786 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 144.3 | 167.3 | -16.5 | 28.3 | 0 | 0 | 0 | 110.3 | ||
| 595 | P | 49.3 | Very low | 53.7 | Low | 95 Ų | 95 | 86.7 Ų | 86.7 | 62% | 0.617 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -105 | 24.4 | 21.2 | 40.7 | -37.7 | 0 | 0 | 0 | 115.7 | P597 | P595-P597 WeakPolarHBondContact O-CD 3.26Š|
| 596 | Y | 52.9 | Low | 54 | Low | 100 Ų | 100 | 83.1 Ų | 83.1 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | trans | -104 | 88.4 | -162.6 | -54.7 | -71.5 | 0 | 0 | 0 | 115 | H599 | Y596-H599 AromaticContact CD1-NE2 3.96Š| ||
| 597 | P | 45.5 | Very low | 54.4 | Low | 107 Ų | 107 | 82.3 Ų | 82.3 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | trans | -94.6 | -0.1 | -164.7 | -1.2 | 25 | 0 | 0 | 0 | 114.5 | P595 | P595-P597 WeakPolarHBondContact O-CD 3.26Š| ||
| 598 | R | 48.1 | Very low | 55 | Low | 211 Ų | 211 | 83.8 Ų | 83.8 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 179.7 | 89.5 | -174.5 | -107.1 | 165.9 | -166.6 | -167.4 | 3.4 | 114.6 | R558 | R558-R598 PolarHBondContact NH1-O 3.47Š|
| 599 | H | 51.8 | Low | 55.8 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | trans | -135.9 | 132 | -176.8 | -65.3 | 13.6 | 0 | 0 | 0 | 112.5 | R558 Y596 | R558-H599 HydrophobicContact CB-CB 4.01Å; R558-H599 VanDerWaalsContact CD-CE1 3.44Å; R558-H599 WeakPolarHBondContact CD-CE1 3.22Å; R558-H599 WeakPolarHBondContact CD-ND1 3.23Å; R558-H599 PolarHBondContact NE-CE1 2.91Å; R558-H599 PolarHBondContact NE-ND1 3.02Å; Y596-H599 AromaticContact CD1-NE2 3.96Å | ||
| 600 | Q | 52 | Low | 56.7 | Low | 138 Ų | 138 | 86.5 Ų | 86.5 | 65% | 0.645 | 43% | 0.431 | S | S | * | . | trans | -63.1 | 134.4 | 162.2 | -92.2 | 175.5 | -13.8 | 0 | 0 | 109 | R558 D628 | R558-Q600 VanDerWaalsContact O-O 3.08Å; Q600-D628 HydrophobicContact CG-CB 3.88Å | ||
| 601 | V | 52.2 | Low | 57.9 | Low | 15 Ų | 15 | 84.2 Ų | 84.2 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.6 | -178.9 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | Y587 D628 I629 D630 | Y587-V601 HydrophobicContact CD2-CB 4.35Å; Y587-V601 HydrophobicContact CD2-CG1 4.24Å; Y587-V601 HydrophobicContact CD2-CG2 4.16Å; Y587-V601 HydrophobicContact CE2-CB 3.79Å; Y587-V601 HydrophobicContact CE2-CG1 4.18Å; Y587-V601 HydrophobicContact CE2-CG2 3.53Å; V601-D628 PolarHBondContact N-O 3.31Å; V601-I629 HydrophobicContact CB-CG1 4.18Å; V601-I629 HydrophobicContact CG1-CG1 4.26Å; V601-I629 CarbonylContact O-C 3.56Å; V601-I629 WeakPolarHBondContact O-CA 3.28Å; V601-D630 PolarHBondContact O-N 3.24Å |
| 602 | I | 59.6 | Low | 58.8 | Low | 42 Ų | 42 | 85.2 Ų | 85.2 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.3 | 174 | -54.7 | 176.8 | 0 | 0 | 0 | 108.6 | L604 D630 R632 | I602-L604 HydrophobicContact CG2-CD2 3.82Å; I602-L604 HydrophobicContact CG2-CG 4.35Å; I602-D630 CarbonylContact C-O 3.59Å; I602-D630 WeakPolarHBondContact CA-O 3.41Å; I602-D630 HydrophobicContact CG1-CB 4.12Å; I602-R632 HydrophobicContact CG2-CG 4.33Å |
| 603 | L | 63.2 | Low | 59.3 | Low | 12 Ų | 12 | 82.2 Ų | 82.2 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.4 | 176.9 | -161.8 | 149.8 | 0 | 0 | 0 | 109 | I617 I629 D630 V631 R632 | L603-I617 HydrophobicContact CD2-CG2 4.04Å; L603-I629 HydrophobicContact CD1-CD1 4.15Å; L603-D630 PolarHBondContact N-O 3.36Å; L603-V631 HydrophobicContact CB-CG2 4.35Å; L603-V631 HydrophobicContact CD2-CG1 4.27Å; L603-V631 CarbonylContact O-C 3.45Å; L603-V631 WeakPolarHBondContact O-CA 3.43Å; L603-R632 PolarHBondContact O-N 3.02Å |
| 604 | L | 62.1 | Low | 60.5 | Low | 12 Ų | 12 | 76.8 Ų | 76.8 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.5 | -179.5 | -63.4 | -176.5 | 0 | 0 | 0 | 110.1 | M561 I602 R632 V634 F637 | M561-L604 HydrophobicContact CG-CD1 3.97Å; M561-L604 HydrophobicContact SD-CD1 4.04Å; I602-L604 HydrophobicContact CG2-CD2 3.82Å; I602-L604 HydrophobicContact CG2-CG 4.35Å; L604-R632 WeakPolarHBondContact CA-O 3.46Å; L604-R632 HydrophobicContact CD2-CB 3.94Å; L604-V634 HydrophobicContact CB-CG2 3.81Å; L604-F637 HydrophobicContact CD1-CD1 4.22Å; L604-F637 HydrophobicContact CD1-CE1 4.33Å; L604-F637 HydrophobicContact CD2-CB 4.06Å; L604-F637 HydrophobicContact CD2-CD1 4.17Å; L604-F637 HydrophobicContact CD2-CD2 4.13Å; L604-F637 HydrophobicContact CD2-CG 3.85Å |
| 605 | T | 61.2 | Low | 62 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.5 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | Y607 F614 V631 R632 N633 V634 | T605-Y607 PolarHBondContact O-N 3.23Å; T605-Y607 WeakPolarHBondContact OG1-CD2 3.46Å; T605-Y607 PolarHBondContact OG1-N 3.15Å; T605-F614 HydrophobicContact CG2-CD2 3.48Å; T605-F614 VanDerWaalsContact CG2-CD2 3.48Å; T605-F614 HydrophobicContact CG2-CE2 3.68Å; T605-V631 HydrophobicContact CG2-CG1 3.9Å; T605-R632 PolarHBondContact N-O 3.21Å; T605-N633 CarbonylContact O-C 3.59Å; T605-N633 VanDerWaalsContact O-CA 3.31Å; T605-N633 WeakPolarHBondContact O-CA 3.35Å; T605-V634 WeakPolarHBondContact O-CG2 3.2Å; T605-V634 PolarHBondContact O-N 2.94Å |
| 606 | D | 59 | Low | 63.2 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -75.9 | -16.2 | 174.8 | -62.1 | -11 | 0 | 0 | 0 | 111.4 | N633 V634 | D606-N633 PolarHBondContact O-ND2 2.99Å; D606-V634 WeakPolarHBondContact OD1-CG2 3.39Å |
| 607 | Y | 62 | Low | 63.9 | Low | 85 Ų | 85 | 74 Ų | 74 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -65.5 | 132 | 177.7 | -69.1 | -56.9 | 0 | 0 | 0 | 111.6 | T605 S611 E613 F614 I617 N633 | T605-Y607 PolarHBondContact O-N 3.23Å; T605-Y607 WeakPolarHBondContact OG1-CD2 3.46Å; T605-Y607 PolarHBondContact OG1-N 3.15Å; Y607-S611 WeakPolarHBondContact CB-OG 3.5Å; Y607-E613 HydrophobicContact CD1-CB 3.5Å; Y607-E613 HydrophobicContact CD1-CG 4.03Å; Y607-E613 HydrophobicContact CD2-CB 3.8Å; Y607-E613 HydrophobicContact CE1-CB 3.54Å; Y607-E613 HydrophobicContact CE1-CG 3.64Å; Y607-E613 HydrophobicContact CE2-CB 3.86Å; Y607-E613 HydrophobicContact CG-CB 3.66Å; Y607-F614 WeakPolarHBondContact O-CD2 3.34Å; Y607-I617 HydrophobicContact CD2-CD1 3.6Å; Y607-I617 HydrophobicContact CE2-CD1 4.03Å; Y607-N633 VanDerWaalsContact C-ND2 3.3Å; Y607-N633 PolarHBondContact O-ND2 3.34Å |
| 608 | S | 69.4 | Low | 65.1 | Low | 60 Ų | 60 | 75.3 Ų | 75.3 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | trans | -61.5 | 146.7 | 175.2 | 84.5 | 0 | 0 | 0 | 0 | 110.2 | K610 S611 F614 | S608-K610 PolarHBondContact O-N 3.5Å; S608-K610 PolarHBondContact OG-N 3.28Å; S608-S611 WeakPolarHBondContact O-CB 3.16Å; S608-S611 PolarHBondContact O-N 2.95Å; S608-S611 PolarHBondContact O-OG 3.04Å; S608-S611 PolarHBondContact OG-N 3.42Å; S608-F614 WeakPolarHBondContact O-CB 3.45Å | ||
| 609 | C | 71.4 | Confident | 66.4 | Low | 63 Ų | 63 | 67.5 Ų | 67.5 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -13.4 | 174.7 | 56.8 | 0 | 0 | 0 | 0 | 114 | F614 | C609-F614 HydrophobicContact CB-CE1 4.34Å; C609-F614 HydrophobicContact CB-CZ 4.35Å |
| 610 | K | 75.6 | Confident | 67.2 | Low | 174 Ų | 174 | 66.5 Ų | 66.5 | 76% | 0.757 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.3 | 177.2 | -60.4 | -176 | -178.2 | 178.6 | 0 | 114.2 | S608 | S608-K610 PolarHBondContact O-N 3.5Å; S608-K610 PolarHBondContact OG-N 3.28Å |
| 611 | S | 75.7 | Confident | 68 | Low | 20 Ų | 20 | 60.1 Ų | 60.1 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -74.2 | 151.7 | -176.7 | 66.5 | 0 | 0 | 0 | 0 | 112 | Y607 S608 E613 F614 K615 | Y607-S611 WeakPolarHBondContact CB-OG 3.5Å; S608-S611 WeakPolarHBondContact O-CB 3.16Å; S608-S611 PolarHBondContact O-N 2.95Å; S608-S611 PolarHBondContact O-OG 3.04Å; S608-S611 PolarHBondContact OG-N 3.42Å; S611-E613 WeakPolarHBondContact CB-OE2 3.45Å; S611-E613 PolarHBondContact O-N 3.48Å; S611-F614 PolarHBondContact O-N 3.47Å; S611-F614 WeakPolarHBondContact OG-CB 3.34Å; S611-F614 PolarHBondContact OG-N 3.49Å; S611-F614 VanDerWaalsContact OG-N 3.09Å; S611-K615 WeakPolarHBondContact O-CG 3.01Å; S611-K615 PolarHBondContact O-N 2.87Å |
| 612 | E | 74.3 | Confident | 68.8 | Low | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68 | -30.4 | 175 | -74.4 | -57.5 | 133 | 0 | 0 | 111 | K615 R616 | E612-K615 PolarHBondContact O-N 3.02Å; E612-K615 IonicContact OE1-NZ 2.88Å; E612-K615 PolarHBondContact OE1-NZ 3.06Å; E612-R616 WeakPolarHBondContact O-CB 3.23Å; E612-R616 WeakPolarHBondContact O-CG 3.35Å; E612-R616 PolarHBondContact O-N 2.77Å |
| 613 | E | 67.4 | Low | 69.3 | Low | 82 Ų | 82 | 72.2 Ų | 72.2 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.8 | -64.6 | 77 | -169.7 | 0 | 0 | 111.5 | Y607 S611 K615 R616 I617 | Y607-E613 HydrophobicContact CD1-CB 3.5Å; Y607-E613 HydrophobicContact CD1-CG 4.03Å; Y607-E613 HydrophobicContact CD2-CB 3.8Å; Y607-E613 HydrophobicContact CE1-CB 3.54Å; Y607-E613 HydrophobicContact CE1-CG 3.64Å; Y607-E613 HydrophobicContact CE2-CB 3.86Å; Y607-E613 HydrophobicContact CG-CB 3.66Å; S611-E613 WeakPolarHBondContact CB-OE2 3.45Å; S611-E613 PolarHBondContact O-N 3.48Å; E613-K615 VanDerWaalsContact C-N 3.33Å; E613-K615 PolarHBondContact O-N 3.35Å; E613-R616 PolarHBondContact O-N 3.49Å; E613-I617 WeakPolarHBondContact O-CG1 3.41Å; E613-I617 PolarHBondContact O-N 3.19Å |
| 614 | F | 71.1 | Confident | 69.3 | Low | 28 Ų | 28 | 75.4 Ų | 75.4 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174 | -173.6 | -84.1 | 0 | 0 | 0 | 111.8 | T605 Y607 S608 C609 S611 I617 Y618 V631 | T605-F614 HydrophobicContact CG2-CD2 3.48Å; T605-F614 VanDerWaalsContact CG2-CD2 3.48Å; T605-F614 HydrophobicContact CG2-CE2 3.68Å; Y607-F614 WeakPolarHBondContact O-CD2 3.34Å; S608-F614 WeakPolarHBondContact O-CB 3.45Å; C609-F614 HydrophobicContact CB-CE1 4.34Å; C609-F614 HydrophobicContact CB-CZ 4.35Å; S611-F614 PolarHBondContact O-N 3.47Å; S611-F614 WeakPolarHBondContact OG-CB 3.34Å; S611-F614 PolarHBondContact OG-N 3.49Å; S611-F614 VanDerWaalsContact OG-N 3.09Å; F614-I617 PolarHBondContact O-N 2.85Å; F614-Y618 PolarHBondContact O-N 3.15Å; F614-V631 HydrophobicContact CD2-CG1 4.26Å; F614-V631 HydrophobicContact CE2-CG1 3.74Å; F614-V631 HydrophobicContact CZ-CB 4.26Å; F614-V631 HydrophobicContact CZ-CG1 3.94Å; F614-V631 WeakPolarHBondContact CZ-O 3.47Å |
| 615 | K | 77.8 | Confident | 69.3 | Low | 103 Ų | 103 | 77.5 Ų | 77.5 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.9 | -65.3 | 176.6 | -165.8 | 166.6 | 0 | 112.1 | S611 E612 E613 Y618 A619 | S611-K615 WeakPolarHBondContact O-CG 3.01Å; S611-K615 PolarHBondContact O-N 2.87Å; E612-K615 PolarHBondContact O-N 3.02Å; E612-K615 IonicContact OE1-NZ 2.88Å; E612-K615 PolarHBondContact OE1-NZ 3.06Å; E613-K615 VanDerWaalsContact C-N 3.33Å; E613-K615 PolarHBondContact O-N 3.35Å; K615-Y618 PolarHBondContact O-N 3.16Å; K615-A619 VanDerWaalsContact O-CB 3.32Å; K615-A619 WeakPolarHBondContact O-CB 3.49Å; K615-A619 PolarHBondContact O-N 3.04Å |
| 616 | R | 74.5 | Confident | 69.4 | Low | 148 Ų | 148 | 78.3 Ų | 78.3 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 175.6 | -78.8 | -179.2 | -167.4 | 174.9 | 5.6 | 111.8 | E612 E613 Y618 A619 Q620 | E612-R616 WeakPolarHBondContact O-CB 3.23Å; E612-R616 WeakPolarHBondContact O-CG 3.35Å; E612-R616 PolarHBondContact O-N 2.77Å; E613-R616 PolarHBondContact O-N 3.49Å; R616-Y618 VanDerWaalsContact C-N 3.28Å; R616-Y618 PolarHBondContact O-N 3.48Å; R616-A619 PolarHBondContact O-N 3.35Å; R616-Q620 WeakPolarHBondContact O-CB 3.41Å; R616-Q620 PolarHBondContact O-N 2.89Å |
| 617 | I | 68.2 | Low | 69.3 | Low | 7 Ų | 7 | 82.2 Ų | 82.2 | 4% | 0.036 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 175.8 | -65.4 | 162.4 | 0 | 0 | 0 | 110.7 | T580 L603 Y607 E613 F614 A621 V631 | T580-I617 HydrophobicContact CG2-CB 4.12Å; T580-I617 HydrophobicContact CG2-CG1 3.7Å; L603-I617 HydrophobicContact CD2-CG2 4.04Å; Y607-I617 HydrophobicContact CD2-CD1 3.6Å; Y607-I617 HydrophobicContact CE2-CD1 4.03Å; E613-I617 WeakPolarHBondContact O-CG1 3.41Å; E613-I617 PolarHBondContact O-N 3.19Å; F614-I617 PolarHBondContact O-N 2.85Å; I617-A621 WeakPolarHBondContact O-CB 3.37Å; I617-A621 PolarHBondContact O-N 2.99Å; I617-V631 HydrophobicContact CG2-CG1 4.11Å; I617-V631 HydrophobicContact CG2-CG2 4.12Å |
| 618 | Y | 71.1 | Confident | 69.4 | Low | 134 Ų | 134 | 83.1 Ų | 83.1 | 53% | 0.525 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 178.5 | -168.9 | -91.8 | 0 | 0 | 0 | 112.7 | F614 K615 R616 K622 V631 | F614-Y618 PolarHBondContact O-N 3.15Å; K615-Y618 PolarHBondContact O-N 3.16Å; R616-Y618 VanDerWaalsContact C-N 3.28Å; R616-Y618 PolarHBondContact O-N 3.48Å; Y618-K622 PolarHBondContact O-N 3.29Å; Y618-V631 HydrophobicContact CD2-CG2 4.18Å |
| 619 | A | 75.5 | Confident | 69 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | K615 R616 K622 E623 | K615-A619 VanDerWaalsContact O-CB 3.32Å; K615-A619 WeakPolarHBondContact O-CB 3.49Å; K615-A619 PolarHBondContact O-N 3.04Å; R616-A619 PolarHBondContact O-N 3.35Å; A619-K622 WeakPolarHBondContact O-CB 3.4Å; A619-K622 PolarHBondContact O-N 2.68Å; A619-E623 PolarHBondContact O-N 3.11Å |
| 620 | Q | 69.1 | Low | 69 | Low | 41 Ų | 41 | 81.3 Ų | 81.3 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | -179.9 | -165.1 | 67.9 | 49.7 | 0 | 0 | 111.5 | T580 V584 R616 K622 E623 D624 | T580-Q620 HydrophobicContact CG2-CB 3.93Å; T580-Q620 HydrophobicContact CG2-CG 4.13Å; V584-Q620 HydrophobicContact CG2-CG 4.33Å; R616-Q620 WeakPolarHBondContact O-CB 3.41Å; R616-Q620 PolarHBondContact O-N 2.89Å; Q620-K622 PolarHBondContact O-N 3.44Å; Q620-E623 PolarHBondContact O-N 3.05Å; Q620-E623 VanDerWaalsContact O-N 3.15Å; Q620-D624 PolarHBondContact NE2-OD2 2.91Å; Q620-D624 PolarHBondContact O-N 2.59Å |
| 621 | A | 66.8 | Low | 68.6 | Low | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.8 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I617 V626 I629 | I617-A621 WeakPolarHBondContact O-CB 3.37Å; I617-A621 PolarHBondContact O-N 2.99Å; A621-V626 HydrophobicContact CB-CB 4.4Å; A621-V626 VanDerWaalsContact O-CB 3.24Å; A621-V626 WeakPolarHBondContact O-CB 3.47Å; A621-V626 PolarHBondContact O-N 3.31Å; A621-I629 HydrophobicContact CB-CD1 4.24Å; A621-I629 HydrophobicContact CB-CG2 4.11Å |
| 622 | K | 69 | Low | 68.3 | Low | 162 Ų | 162 | 76.3 Ų | 76.3 | 70% | 0.704 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 177 | -169.8 | 177.3 | -179.5 | -178.6 | 0 | 113 | Y618 A619 Q620 D624 G625 | Y618-K622 PolarHBondContact O-N 3.29Å; A619-K622 WeakPolarHBondContact O-CB 3.4Å; A619-K622 PolarHBondContact O-N 2.68Å; Q620-K622 PolarHBondContact O-N 3.44Å; K622-D624 VanDerWaalsContact C-N 3.34Å; K622-G625 PolarHBondContact O-N 3.23Å |
| 623 | E | 70.2 | Confident | 68.2 | Low | 149 Ų | 149 | 72.6 Ų | 72.6 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.1 | -35 | 176.3 | -78.9 | -178.3 | 177.2 | 0 | 0 | 112.6 | A619 Q620 G625 | A619-E623 PolarHBondContact O-N 3.11Å; Q620-E623 PolarHBondContact O-N 3.05Å; Q620-E623 VanDerWaalsContact O-N 3.15Å; E623-G625 VanDerWaalsContact C-N 3.25Å; E623-G625 PolarHBondContact O-N 3.32Å |
| 624 | D | 63.8 | Low | 67.9 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 13.1 | -178.6 | -72 | -44 | 0 | 0 | 0 | 113.7 | V584 Q620 K622 V626 | V584-D624 HydrophobicContact CG1-CB 3.33Å; V584-D624 WeakPolarHBondContact CG1-OD2 3.4Å; Q620-D624 PolarHBondContact NE2-OD2 2.91Å; Q620-D624 PolarHBondContact O-N 2.59Å; K622-D624 VanDerWaalsContact C-N 3.34Å; D624-V626 VanDerWaalsContact C-N 3.27Å; D624-V626 HydrophobicContact CB-CG2 4.46Å; D624-V626 PolarHBondContact O-N 2.96Å |
| 625 | G | 62.7 | Low | 67.3 | Low | 57 Ų | 57 | 70.2 Ų | 70.2 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K622 E623 E627 | K622-G625 PolarHBondContact O-N 3.23Å; E623-G625 VanDerWaalsContact C-N 3.25Å; E623-G625 PolarHBondContact O-N 3.32Å; G625-E627 VanDerWaalsContact C-N 3.35Å; G625-E627 PolarHBondContact O-N 2.9Å |
| 626 | V | 62.1 | Low | 66.7 | Low | 16 Ų | 16 | 69.1 Ų | 69.1 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -80.1 | 85.2 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | V584 Y587 A621 D624 I629 | V584-V626 HydrophobicContact CG1-CG2 4.02Å; Y587-V626 HydrophobicContact CD1-CB 4.07Å; Y587-V626 HydrophobicContact CD1-CG1 3.61Å; Y587-V626 HydrophobicContact CD1-CG2 3.38Å; Y587-V626 HydrophobicContact CE1-CB 3.63Å; Y587-V626 HydrophobicContact CE1-CG1 2.97Å; Y587-V626 HydrophobicContact CE1-CG2 3.4Å; Y587-V626 HydrophobicContact CE2-CG1 4.12Å; Y587-V626 HydrophobicContact CG-CG1 4.39Å; Y587-V626 HydrophobicContact CG-CG2 4.5Å; A621-V626 HydrophobicContact CB-CB 4.4Å; A621-V626 VanDerWaalsContact O-CB 3.24Å; A621-V626 WeakPolarHBondContact O-CB 3.47Å; A621-V626 PolarHBondContact O-N 3.31Å; D624-V626 VanDerWaalsContact C-N 3.27Å; D624-V626 HydrophobicContact CB-CG2 4.46Å; D624-V626 PolarHBondContact O-N 2.96Å; V626-I629 HydrophobicContact CB-CD1 4.47Å; V626-I629 HydrophobicContact CG1-CB 3.88Å; V626-I629 HydrophobicContact CG1-CD1 3.46Å; V626-I629 VanDerWaalsContact CG1-CD1 3.46Å; V626-I629 HydrophobicContact CG1-CG1 3.55Å | ||
| 627 | E | 58.6 | Low | 66.1 | Low | 166 Ų | 166 | 63.9 Ų | 63.9 | 78% | 0.776 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 136.8 | 168.6 | -61.8 | -175.1 | 171.1 | 0 | 0 | 108.8 | G625 | G625-E627 VanDerWaalsContact C-N 3.35Å; G625-E627 PolarHBondContact O-N 2.9Å |
| 628 | D | 63.2 | Low | 65.6 | Low | 104 Ų | 104 | 65.7 Ų | 65.7 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 36 | -177.2 | -61 | -34.7 | 0 | 0 | 0 | 118.5 | Q600 V601 | Q600-D628 HydrophobicContact CG-CB 3.88Å; V601-D628 PolarHBondContact N-O 3.31Å |
| 629 | I | 62 | Low | 65.1 | Low | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.2 | 164.2 | -102.8 | -177.9 | 0 | 0 | 0 | 112.1 | Y587 V601 L603 A621 V626 V631 | Y587-I629 HydrophobicContact CE2-CG1 4.48Å; V601-I629 HydrophobicContact CB-CG1 4.18Å; V601-I629 HydrophobicContact CG1-CG1 4.26Å; V601-I629 CarbonylContact O-C 3.56Å; V601-I629 WeakPolarHBondContact O-CA 3.28Å; L603-I629 HydrophobicContact CD1-CD1 4.15Å; A621-I629 HydrophobicContact CB-CD1 4.24Å; A621-I629 HydrophobicContact CB-CG2 4.11Å; V626-I629 HydrophobicContact CB-CD1 4.47Å; V626-I629 HydrophobicContact CG1-CB 3.88Å; V626-I629 HydrophobicContact CG1-CD1 3.46Å; V626-I629 VanDerWaalsContact CG1-CD1 3.46Å; V626-I629 HydrophobicContact CG1-CG1 3.55Å; I629-V631 HydrophobicContact CG2-CG2 3.41Å; I629-V631 VanDerWaalsContact CG2-CG2 3.41Å |
| 630 | D | 69.6 | Low | 64.5 | Low | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 96.3 | 170.4 | -179.1 | 9.7 | 0 | 0 | 0 | 109 | V601 I602 L603 R632 | V601-D630 PolarHBondContact O-N 3.24Å; I602-D630 CarbonylContact C-O 3.59Å; I602-D630 WeakPolarHBondContact CA-O 3.41Å; I602-D630 HydrophobicContact CG1-CB 4.12Å; L603-D630 PolarHBondContact N-O 3.36Å; D630-R632 WeakPolarHBondContact OD1-CG 3.26Å; D630-R632 IonicContact OD1-NE 2.72Å; D630-R632 PolarHBondContact OD1-NE 3.02Å; D630-R632 IonicContact OD2-CZ 3.86Å; D630-R632 VanDerWaalsContact OD2-CZ 3.27Å; D630-R632 IonicContact OD2-NE 3.13Å; D630-R632 PolarHBondContact OD2-NE 3.38Å; D630-R632 IonicContact OD2-NH2 3.91Å; D630-R632 PolarHBondContact OD2-NH2 3.15Å |
| 631 | V | 68.8 | Low | 63.6 | Low | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.4 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | L603 T605 F614 I617 Y618 I629 | L603-V631 HydrophobicContact CB-CG2 4.35Å; L603-V631 HydrophobicContact CD2-CG1 4.27Å; L603-V631 CarbonylContact O-C 3.45Å; L603-V631 WeakPolarHBondContact O-CA 3.43Å; T605-V631 HydrophobicContact CG2-CG1 3.9Å; F614-V631 HydrophobicContact CD2-CG1 4.26Å; F614-V631 HydrophobicContact CE2-CG1 3.74Å; F614-V631 HydrophobicContact CZ-CB 4.26Å; F614-V631 HydrophobicContact CZ-CG1 3.94Å; F614-V631 WeakPolarHBondContact CZ-O 3.47Å; I617-V631 HydrophobicContact CG2-CG1 4.11Å; I617-V631 HydrophobicContact CG2-CG2 4.12Å; Y618-V631 HydrophobicContact CD2-CG2 4.18Å; I629-V631 HydrophobicContact CG2-CG2 3.41Å; I629-V631 VanDerWaalsContact CG2-CG2 3.41Å |
| 632 | R | 69 | Low | 62.9 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.8 | 177.9 | -60.4 | -170.3 | -178.4 | -147 | 2.8 | 112.1 | I602 L603 L604 T605 D630 F637 E640 | I602-R632 HydrophobicContact CG2-CG 4.33Å; L603-R632 PolarHBondContact O-N 3.02Å; L604-R632 WeakPolarHBondContact CA-O 3.46Å; L604-R632 HydrophobicContact CD2-CB 3.94Å; T605-R632 PolarHBondContact N-O 3.21Å; D630-R632 WeakPolarHBondContact OD1-CG 3.26Å; D630-R632 IonicContact OD1-NE 2.72Å; D630-R632 PolarHBondContact OD1-NE 3.02Å; D630-R632 IonicContact OD2-CZ 3.86Å; D630-R632 VanDerWaalsContact OD2-CZ 3.27Å; D630-R632 IonicContact OD2-NE 3.13Å; D630-R632 PolarHBondContact OD2-NE 3.38Å; D630-R632 IonicContact OD2-NH2 3.91Å; D630-R632 PolarHBondContact OD2-NH2 3.15Å; R632-F637 HydrophobicContact CB-CB 4.4Å; R632-E640 IonicContact NH1-OE2 2.96Å; R632-E640 PolarHBondContact NH1-OE2 3.31Å |
| 633 | N | 71.3 | Confident | 62.3 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.8 | 165.5 | 177.6 | -91.6 | 0 | 0 | 0 | 109 | T605 D606 Y607 G635 D636 F637 | T605-N633 CarbonylContact O-C 3.59Å; T605-N633 VanDerWaalsContact O-CA 3.31Å; T605-N633 WeakPolarHBondContact O-CA 3.35Å; D606-N633 PolarHBondContact O-ND2 2.99Å; Y607-N633 VanDerWaalsContact C-ND2 3.3Å; Y607-N633 PolarHBondContact O-ND2 3.34Å; N633-G635 VanDerWaalsContact C-N 3.3Å; N633-G635 PolarHBondContact O-N 2.95Å; N633-G635 VanDerWaalsContact OD1-CA 3.28Å; N633-G635 WeakPolarHBondContact OD1-CA 3.44Å; N633-G635 PolarHBondContact OD1-N 3.39Å; N633-D636 HydrophobicContact CB-CB 4.1Å; N633-D636 WeakPolarHBondContact CB-OD2 3.4Å; N633-D636 PolarHBondContact O-N 3.34Å; N633-D636 PolarHBondContact OD1-N 3.48Å; N633-D636 VanDerWaalsContact OD1-N 3.08Å; N633-F637 WeakPolarHBondContact O-CB 3.42Å; N633-F637 PolarHBondContact O-N 3.37Å |
| 634 | V | 61.1 | Low | 61.3 | Low | 20 Ų | 20 | 70.1 Ų | 70.1 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 180 | 170 | 0 | 0 | 0 | 0 | 111 | L604 T605 D606 F637 Y638 | L604-V634 HydrophobicContact CB-CG2 3.81Å; T605-V634 WeakPolarHBondContact O-CG2 3.2Å; T605-V634 PolarHBondContact O-N 2.94Å; D606-V634 WeakPolarHBondContact OD1-CG2 3.39Å; V634-F637 PolarHBondContact O-N 2.91Å; V634-Y638 HydrophobicContact CG1-CD2 3.62Å; V634-Y638 HydrophobicContact CG1-CE2 3.55Å; V634-Y638 WeakPolarHBondContact O-CD2 3.4Å; V634-Y638 PolarHBondContact O-N 3.08Å |
| 635 | G | 59.4 | Low | 60.2 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N633 Y638 A639 | N633-G635 VanDerWaalsContact C-N 3.3Å; N633-G635 PolarHBondContact O-N 2.95Å; N633-G635 VanDerWaalsContact OD1-CA 3.28Å; N633-G635 WeakPolarHBondContact OD1-CA 3.44Å; N633-G635 PolarHBondContact OD1-N 3.39Å; G635-Y638 PolarHBondContact O-N 3.35Å; G635-A639 WeakPolarHBondContact O-CB 3.36Å; G635-A639 PolarHBondContact O-N 3Å |
| 636 | D | 64.9 | Low | 59 | Low | 79 Ų | 79 | 81.4 Ų | 81.4 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.2 | -66.6 | -26.3 | 0 | 0 | 0 | 111.4 | N633 Y638 A639 E640 | N633-D636 HydrophobicContact CB-CB 4.1Å; N633-D636 WeakPolarHBondContact CB-OD2 3.4Å; N633-D636 PolarHBondContact O-N 3.34Å; N633-D636 PolarHBondContact OD1-N 3.48Å; N633-D636 VanDerWaalsContact OD1-N 3.08Å; D636-Y638 PolarHBondContact O-N 3.1Å; D636-A639 PolarHBondContact O-N 2.97Å; D636-E640 PolarHBondContact O-N 3.07Å |
| 637 | F | 63 | Low | 58.8 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.3 | 177.5 | -97.3 | 0 | 0 | 0 | 111.9 | L604 R632 N633 V634 E640 W641 | L604-F637 HydrophobicContact CD1-CD1 4.22Å; L604-F637 HydrophobicContact CD1-CE1 4.33Å; L604-F637 HydrophobicContact CD2-CB 4.06Å; L604-F637 HydrophobicContact CD2-CD1 4.17Å; L604-F637 HydrophobicContact CD2-CD2 4.13Å; L604-F637 HydrophobicContact CD2-CG 3.85Å; R632-F637 HydrophobicContact CB-CB 4.4Å; N633-F637 WeakPolarHBondContact O-CB 3.42Å; N633-F637 PolarHBondContact O-N 3.37Å; V634-F637 PolarHBondContact O-N 2.91Å; F637-E640 PolarHBondContact O-N 2.97Å; F637-W641 WeakPolarHBondContact O-CB 3.42Å; F637-W641 PolarHBondContact O-N 3.01Å |
| 638 | Y | 56.3 | Low | 58.8 | Low | 45 Ų | 45 | 80.4 Ų | 80.4 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.5 | -83.6 | -67.8 | 0 | 0 | 0 | 112.7 | A545 V634 G635 D636 W641 I642 | A545-Y638 HydrophobicContact CB-CE1 4.09Å; V634-Y638 HydrophobicContact CG1-CD2 3.62Å; V634-Y638 HydrophobicContact CG1-CE2 3.55Å; V634-Y638 WeakPolarHBondContact O-CD2 3.4Å; V634-Y638 PolarHBondContact O-N 3.08Å; G635-Y638 PolarHBondContact O-N 3.35Å; D636-Y638 PolarHBondContact O-N 3.1Å; Y638-W641 HydrophobicContact CD1-CE3 4.19Å; Y638-W641 WeakPolarHBondContact O-CB 3.44Å; Y638-W641 PolarHBondContact O-N 3.41Å; Y638-I642 WeakPolarHBondContact O-CG1 3.43Å; Y638-I642 PolarHBondContact O-N 3.5Å |
| 639 | A | 61.3 | Low | 58.6 | Low | 47 Ų | 47 | 79.1 Ų | 79.1 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G635 D636 K643 | G635-A639 WeakPolarHBondContact O-CB 3.36Å; G635-A639 PolarHBondContact O-N 3Å; D636-A639 PolarHBondContact O-N 2.97Å; A639-K643 WeakPolarHBondContact O-CG 3.44Å; A639-K643 PolarHBondContact O-N 3.1Å |
| 640 | E | 61.8 | Low | 58.4 | Low | 107 Ų | 107 | 82.2 Ų | 82.2 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 170.3 | -73.6 | -173.7 | 167.6 | 0 | 0 | 112 | R632 D636 F637 K643 | R632-E640 IonicContact NH1-OE2 2.96Å; R632-E640 PolarHBondContact NH1-OE2 3.31Å; D636-E640 PolarHBondContact O-N 3.07Å; F637-E640 PolarHBondContact O-N 2.97Å; E640-K643 PolarHBondContact O-N 3.03Å |
| 641 | W | 51.9 | Low | 57.7 | Low | 34 Ų | 34 | 83.8 Ų | 83.8 | 13% | 0.129 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 177.5 | 176 | 72.7 | 0 | 0 | 0 | 112.2 | Q544 F637 Y638 K643 K644 E645 | Q544-W641 HydrophobicContact CB-CH2 4.28Å; Q544-W641 HydrophobicContact CB-CZ2 4.41Å; F637-W641 WeakPolarHBondContact O-CB 3.42Å; F637-W641 PolarHBondContact O-N 3.01Å; Y638-W641 HydrophobicContact CD1-CE3 4.19Å; Y638-W641 WeakPolarHBondContact O-CB 3.44Å; Y638-W641 PolarHBondContact O-N 3.41Å; W641-K643 PolarHBondContact O-N 2.63Å; W641-K644 PolarHBondContact O-N 3.2Å; W641-E645 VanDerWaalsContact CZ2-OE2 3.32Å; W641-E645 WeakPolarHBondContact CZ2-OE2 3.42Å |
| 642 | I | 51 | Low | 56.9 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.5 | -32.8 | 177.8 | -69.2 | 170.4 | 0 | 0 | 0 | 111.6 | Y638 K644 Y646 | Y638-I642 WeakPolarHBondContact O-CG1 3.43Å; Y638-I642 PolarHBondContact O-N 3.5Å; I642-K644 VanDerWaalsContact C-N 3.27Å; I642-K644 PolarHBondContact O-N 3.45Å; I642-Y646 HydrophobicContact CG2-CD2 4.46Å |
| 643 | K | 57.4 | Low | 56.1 | Low | 166 Ų | 166 | 89.3 Ų | 89.3 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.4 | 178.3 | -73.7 | 177.6 | -178.7 | 176.6 | 0 | 114.7 | A639 E640 W641 | A639-K643 WeakPolarHBondContact O-CG 3.44Å; A639-K643 PolarHBondContact O-N 3.1Å; E640-K643 PolarHBondContact O-N 3.03Å; W641-K643 PolarHBondContact O-N 2.63Å |
| 644 | K | 47.9 | Very low | 54.9 | Low | 186 Ų | 186 | 94.4 Ų | 94.4 | 81% | 0.809 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -16.5 | 178.3 | -77 | -175.6 | 175.5 | 179.3 | 0 | 113.6 | W641 I642 | W641-K644 PolarHBondContact O-N 3.2Å; I642-K644 VanDerWaalsContact C-N 3.27Å; I642-K644 PolarHBondContact O-N 3.45Å |
| 645 | E | 41.9 | Very low | 54.4 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | trans | -94.3 | -2.1 | 176.3 | -79 | -169.7 | 162.3 | 0 | 0 | 113.8 | W641 | W641-E645 VanDerWaalsContact CZ2-OE2 3.32Å; W641-E645 WeakPolarHBondContact CZ2-OE2 3.42Å | ||
| 646 | Y | 35.9 | Very low | 53.9 | Low | 251 Ų | 251 | 106 Ų | 106 | 98% | 0.984 | 49% | 0.485 | S | S | * | . | trans | -124.1 | 0 | 168.3 | -69.7 | -80.3 | 0 | 0 | 0 | 109.5 | I642 | I642-Y646 HydrophobicContact CG2-CD2 4.46Š|
Retrieved 646 of 646 residues in 151.9 ms
(Link to these results)