| 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 | 67.1 | Low | 82.3 | Confident | 194 Ų | 194 | 87 Ų | 87 | 96% | 0.956 | 47% | 0.465 | S | S | * | . | 0 | -58 | 0 | -140 | 175.2 | -147.2 | 0 | 0 | 111.3 | E3 I4 L5 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 VanDerWaalsContact O-N 3.07Å; M1-L5 PolarHBondContact O-N 3.17Å | |||
| 2 | N | 80.3 | Confident | 82.3 | Confident | 138 Ų | 138 | 81.1 Ų | 81.1 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -53.6 | -40.5 | -179.8 | -66.5 | -7.7 | 0 | 0 | 0 | 114.2 | L5 A6 | N2-L5 PolarHBondContact O-N 2.83Å; N2-A6 WeakPolarHBondContact O-CB 3.23Å; N2-A6 PolarHBondContact O-N 2.68Å |
| 3 | E | 81.5 | Confident | 81.8 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 177.2 | -68.1 | -175.9 | -163.7 | 0 | 0 | 114.2 | M1 A7 R34 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.39Å; E3-A7 WeakPolarHBondContact O-CB 3.48Å; E3-A7 PolarHBondContact O-N 2.72Å; E3-A7 VanDerWaalsContact O-N 3.11Å; E3-R34 IonicContact OE2-CZ 3.7Å; E3-R34 IonicContact OE2-NH1 2.73Å; E3-R34 PolarHBondContact OE2-NH1 3.25Å |
| 4 | I | 80.9 | Confident | 81 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 16% | 0.159 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 177 | -60.8 | 173.9 | 0 | 0 | 0 | 108.9 | M1 A6 A7 V8 T30 L31 Y36 | M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 VanDerWaalsContact O-N 3.07Å; I4-A6 PolarHBondContact O-N 2.77Å; I4-A7 PolarHBondContact O-N 3.13Å; I4-V8 HydrophobicContact CG2-CG2 4.31Å; I4-V8 WeakPolarHBondContact O-CB 3.43Å; I4-V8 VanDerWaalsContact O-CG2 3.27Å; I4-V8 WeakPolarHBondContact O-CG2 3.32Å; I4-V8 PolarHBondContact O-N 2.91Å; I4-T30 HydrophobicContact CG2-CG2 3.95Å; I4-L31 HydrophobicContact CD1-CD2 4.05Å; I4-Y36 HydrophobicContact CD1-CD2 3.89Å; I4-Y36 HydrophobicContact CD1-CE2 3.54Å; I4-Y36 HydrophobicContact CG1-CE2 4.19Å |
| 5 | L | 85.3 | Confident | 79.8 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177 | 180 | 63.5 | 0 | 0 | 0 | 111.5 | M1 N2 V8 L9 | M1-L5 PolarHBondContact O-N 3.17Å; N2-L5 PolarHBondContact O-N 2.83Å; L5-V8 PolarHBondContact O-N 3.19Å; L5-L9 HydrophobicContact CD1-CD1 4.06Å; L5-L9 HydrophobicContact CD1-CG 4.18Å; L5-L9 HydrophobicContact CG-CD1 3.93Å; L5-L9 HydrophobicContact CG-CG 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.95Å |
| 6 | A | 86.1 | Confident | 78.8 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N2 I4 V8 L9 D10 | N2-A6 WeakPolarHBondContact O-CB 3.23Å; N2-A6 PolarHBondContact O-N 2.68Å; I4-A6 PolarHBondContact O-N 2.77Å; A6-V8 PolarHBondContact O-N 2.95Å; A6-L9 PolarHBondContact O-N 2.91Å; A6-D10 WeakPolarHBondContact O-CB 3.1Å; A6-D10 VanDerWaalsContact O-CG 3.32Å; A6-D10 PolarHBondContact O-N 3.27Å |
| 7 | A | 85.1 | Confident | 78.7 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 16% | 0.157 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E3 I4 D10 N11 T30 | E3-A7 WeakPolarHBondContact O-CB 3.48Å; E3-A7 PolarHBondContact O-N 2.72Å; E3-A7 VanDerWaalsContact O-N 3.11Å; I4-A7 PolarHBondContact O-N 3.13Å; A7-D10 PolarHBondContact O-N 2.74Å; A7-N11 WeakPolarHBondContact O-CB 3.45Å; A7-N11 VanDerWaalsContact O-CG 3.3Å; A7-N11 PolarHBondContact O-N 2.67Å; A7-N11 PolarHBondContact O-ND2 3.07Å; A7-T30 HydrophobicContact CB-CG2 3.8Å |
| 8 | V | 85 | Confident | 78.6 | Confident | 8 Ų | 8 | 84.6 Ų | 84.6 | 5% | 0.048 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | I4 L5 A6 N11 L12 E26 V27 T30 | I4-V8 HydrophobicContact CG2-CG2 4.31Å; I4-V8 WeakPolarHBondContact O-CB 3.43Å; I4-V8 VanDerWaalsContact O-CG2 3.27Å; I4-V8 WeakPolarHBondContact O-CG2 3.32Å; I4-V8 PolarHBondContact O-N 2.91Å; L5-V8 PolarHBondContact O-N 3.19Å; A6-V8 PolarHBondContact O-N 2.95Å; V8-N11 PolarHBondContact O-N 2.96Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.28Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CG 3.41Å; V8-L12 PolarHBondContact O-N 2.67Å; V8-E26 HydrophobicContact CG1-CG 4.32Å; V8-V27 HydrophobicContact CG1-CG2 3.89Å; V8-V27 HydrophobicContact CG2-CG2 3.98Å; V8-T30 HydrophobicContact CG2-CG2 4.08Å; V8-T30 WeakPolarHBondContact CG2-OG1 3.27Å |
| 9 | L | 85.9 | Confident | 78.6 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 178.2 | -72.6 | 172 | 0 | 0 | 0 | 112 | L5 A6 L12 A13 | L5-L9 HydrophobicContact CD1-CD1 4.06Å; L5-L9 HydrophobicContact CD1-CG 4.18Å; L5-L9 HydrophobicContact CG-CD1 3.93Å; L5-L9 HydrophobicContact CG-CG 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 2.95Å; A6-L9 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-A13 PolarHBondContact O-N 2.89Å |
| 10 | D | 85.4 | Confident | 78.5 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 65% | 0.652 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 176.9 | -73.8 | -17.4 | 0 | 0 | 0 | 111.3 | A6 A7 A13 | A6-D10 WeakPolarHBondContact O-CB 3.1Å; A6-D10 VanDerWaalsContact O-CG 3.32Å; A6-D10 PolarHBondContact O-N 3.27Å; A7-D10 PolarHBondContact O-N 2.74Å; D10-A13 PolarHBondContact O-N 3.07Å |
| 11 | N | 82.3 | Confident | 78.4 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -30.8 | 178.5 | -68.6 | -17.3 | 0 | 0 | 0 | 112.7 | A7 V8 R22 E26 | A7-N11 WeakPolarHBondContact O-CB 3.45Å; A7-N11 VanDerWaalsContact O-CG 3.3Å; A7-N11 PolarHBondContact O-N 2.67Å; A7-N11 PolarHBondContact O-ND2 3.07Å; V8-N11 PolarHBondContact O-N 2.96Å; N11-R22 PolarHBondContact O-NH2 2.83Å; N11-E26 HydrophobicContact CB-CG 3.66Å; N11-E26 WeakPolarHBondContact CB-OE1 3.44Å; N11-E26 PolarHBondContact ND2-OE1 3.3Å |
| 12 | L | 82.7 | Confident | 79.1 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 8% | 0.084 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -74.6 | -25.6 | 176 | -74.7 | 172.2 | 0 | 0 | 0 | 113.5 | V8 L9 A14 L18 R22 V23 E26 | V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.28Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CG 3.41Å; V8-L12 PolarHBondContact O-N 2.67Å; L9-L12 PolarHBondContact O-N 3.21Å; L12-A14 PolarHBondContact O-N 2.98Å; L12-A14 VanDerWaalsContact O-N 3.09Å; L12-L18 HydrophobicContact CB-CD1 4.23Å; L12-L18 HydrophobicContact CD2-CD1 4.43Å; L12-R22 HydrophobicContact CD2-CG 4.01Å; L12-R22 PolarHBondContact O-NH2 2.88Å; L12-V23 HydrophobicContact CD1-CB 4.37Å; L12-V23 HydrophobicContact CD1-CG1 4.25Å; L12-V23 HydrophobicContact CD1-CG2 3.89Å; L12-V23 HydrophobicContact CD2-CG2 4.12Å; L12-E26 HydrophobicContact CD2-CB 4.17Å; L12-E26 HydrophobicContact CD2-CG 4.45Å; L12-E26 HydrophobicContact CG-CB 4.36Å; L12-E26 HydrophobicContact CG-CG 4.24Å |
| 13 | A | 76.3 | Confident | 79.3 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 71% | 0.711 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L9 D10 | L9-A13 PolarHBondContact O-N 2.89Å; D10-A13 PolarHBondContact O-N 3.07Å |
| 14 | A | 70.7 | Confident | 79.4 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -62.9 | 141 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 A16 R22 | L12-A14 PolarHBondContact O-N 2.98Å; L12-A14 VanDerWaalsContact O-N 3.09Å; A14-A16 PolarHBondContact O-N 2.98Å; A14-R22 PolarHBondContact O-NH1 3.16Å; A14-R22 PolarHBondContact O-NH2 3.39Å |
| 15 | A | 62.6 | Low | 79.7 | Confident | 115 Ų | 115 | 70 Ų | 70 | 95% | 0.95 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -63.3 | 23.4 | -160.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 16 | A | 64.3 | Low | 79.8 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -89.7 | 156.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A14 L18 R22 | A14-A16 PolarHBondContact O-N 2.98Å; A16-L18 PolarHBondContact O-N 3.27Å; A16-R22 PolarHBondContact O-NH1 3.06Å |
| 17 | P | 76.7 | Confident | 79.9 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 71% | 0.708 | 40% | 0.404 | S | S | * | . | trans | -55.8 | 135.8 | 171.6 | 20.5 | -30.2 | 0 | 0 | 0 | 110.7 | T19 | P17-T19 PolarHBondContact O-N 3.32Š| ||
| 18 | L | 77.3 | Confident | 80 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | trans | -80.6 | 110.1 | 178.4 | -148.7 | 104 | 0 | 0 | 0 | 108.3 | L12 A16 V23 | L12-L18 HydrophobicContact CB-CD1 4.23Å; L12-L18 HydrophobicContact CD2-CD1 4.43Å; A16-L18 PolarHBondContact O-N 3.27Å; L18-V23 HydrophobicContact CD2-CG2 4.18Å; L18-V23 HydrophobicContact CG-CG2 4.27Å | ||
| 19 | T | 77.5 | Confident | 80.1 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | trans | -114.4 | 156.5 | 173.4 | 64.5 | 0 | 0 | 0 | 0 | 110 | P17 E21 R22 V23 | P17-T19 PolarHBondContact O-N 3.32Å; T19-E21 PolarHBondContact O-N 3.25Å; T19-R22 PolarHBondContact O-N 3.09Å; T19-R22 WeakPolarHBondContact OG1-CB 3.49Å; T19-R22 PolarHBondContact OG1-N 2.84Å; T19-R22 VanDerWaalsContact OG1-N 3.17Å; T19-V23 WeakPolarHBondContact O-CG2 3.48Å; T19-V23 PolarHBondContact O-N 2.99Å; T19-V23 VanDerWaalsContact O-N 3.08Å | ||
| 20 | V | 76.3 | Confident | 80.3 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | R22 V23 Q24 | V20-R22 PolarHBondContact O-N 3.1Å; V20-V23 PolarHBondContact O-N 2.87Å; V20-Q24 HydrophobicContact CG1-CG 4.42Å; V20-Q24 VanDerWaalsContact O-CG 3.26Å; V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 2.96Å |
| 21 | E | 77.5 | Confident | 80.5 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.9 | -73 | 64.4 | -148.5 | 0 | 0 | 111.8 | T19 Q24 D25 R54 | T19-E21 PolarHBondContact O-N 3.25Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 PolarHBondContact O-N 3.05Å; E21-D25 VanDerWaalsContact O-CG 3.23Å; E21-D25 PolarHBondContact O-N 2.67Å; E21-R54 IonicContact OE1-CZ 2.94Å; E21-R54 IonicContact OE1-NH1 3.28Å; E21-R54 PolarHBondContact OE1-NH1 3.48Å; E21-R54 IonicContact OE1-NH2 2.76Å; E21-R54 PolarHBondContact OE1-NH2 3.48Å |
| 22 | R | 81.3 | Confident | 80.9 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 17% | 0.166 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.4 | -176.6 | -177.8 | 166.1 | -148.5 | -5 | 112.1 | N11 L12 A14 A16 T19 V20 Q24 D25 E26 | N11-R22 PolarHBondContact O-NH2 2.83Å; L12-R22 HydrophobicContact CD2-CG 4.01Å; L12-R22 PolarHBondContact O-NH2 2.88Å; A14-R22 PolarHBondContact O-NH1 3.16Å; A14-R22 PolarHBondContact O-NH2 3.39Å; A16-R22 PolarHBondContact O-NH1 3.06Å; T19-R22 PolarHBondContact O-N 3.09Å; T19-R22 WeakPolarHBondContact OG1-CB 3.49Å; T19-R22 PolarHBondContact OG1-N 2.84Å; T19-R22 VanDerWaalsContact OG1-N 3.17Å; V20-R22 PolarHBondContact O-N 3.1Å; R22-Q24 VanDerWaalsContact C-N 3.26Å; R22-Q24 PolarHBondContact O-N 3.4Å; R22-D25 PolarHBondContact O-N 3.43Å; R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.19Å |
| 23 | V | 84.2 | Confident | 81.1 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 29% | 0.285 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | L12 L18 T19 V20 E26 V27 | L12-V23 HydrophobicContact CD1-CB 4.37Å; L12-V23 HydrophobicContact CD1-CG1 4.25Å; L12-V23 HydrophobicContact CD1-CG2 3.89Å; L12-V23 HydrophobicContact CD2-CG2 4.12Å; L18-V23 HydrophobicContact CD2-CG2 4.18Å; L18-V23 HydrophobicContact CG-CG2 4.27Å; T19-V23 WeakPolarHBondContact O-CG2 3.48Å; T19-V23 PolarHBondContact O-N 2.99Å; T19-V23 VanDerWaalsContact O-N 3.08Å; V20-V23 PolarHBondContact O-N 2.87Å; V23-E26 PolarHBondContact O-N 3.09Å; V23-V27 VanDerWaalsContact O-CG2 3.24Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.04Å; V23-V27 VanDerWaalsContact O-N 3.08Å |
| 24 | Q | 84.8 | Confident | 81.7 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 179.1 | -67.6 | 176.1 | -6.5 | 0 | 0 | 113 | V20 E21 R22 E26 V27 E28 Y43 R47 | V20-Q24 HydrophobicContact CG1-CG 4.42Å; V20-Q24 VanDerWaalsContact O-CG 3.26Å; V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 2.96Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 PolarHBondContact O-N 3.05Å; R22-Q24 VanDerWaalsContact C-N 3.26Å; R22-Q24 PolarHBondContact O-N 3.4Å; Q24-E26 VanDerWaalsContact C-N 3.27Å; Q24-E26 PolarHBondContact O-N 2.9Å; Q24-V27 PolarHBondContact O-N 3.1Å; Q24-E28 WeakPolarHBondContact O-CB 3.41Å; Q24-E28 PolarHBondContact O-N 2.91Å; Q24-Y43 VanDerWaalsContact CA-OH 3.25Å; Q24-Y43 WeakPolarHBondContact CA-OH 3.13Å; Q24-Y43 WeakPolarHBondContact CB-OH 3.44Å; Q24-Y43 WeakPolarHBondContact CG-OH 3.3Å; Q24-Y43 WeakPolarHBondContact O-CE1 3.46Å; Q24-R47 VanDerWaalsContact CB-CZ 3.45Å |
| 25 | D | 85.6 | Confident | 82.5 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 177.4 | -68.4 | -21.5 | 0 | 0 | 0 | 111.5 | E21 R22 E28 R29 R47 | E21-D25 VanDerWaalsContact O-CG 3.23Å; E21-D25 PolarHBondContact O-N 2.67Å; R22-D25 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 3.47Å; D25-R29 WeakPolarHBondContact O-CB 3.27Å; D25-R29 PolarHBondContact O-N 3.16Å; D25-R47 IonicContact OD1-CZ 2.77Å; D25-R47 IonicContact OD1-NH1 3.87Å; D25-R47 PolarHBondContact OD1-NH1 3.48Å; D25-R47 IonicContact OD1-NH2 3.94Å; D25-R47 PolarHBondContact OD1-NH2 2.9Å |
| 26 | E | 88.3 | Confident | 83.7 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71 | -39.7 | 178.8 | -164.2 | 55.4 | -126.9 | 0 | 0 | 112.4 | V8 N11 L12 R22 V23 Q24 R29 T30 | V8-E26 HydrophobicContact CG1-CG 4.32Å; N11-E26 HydrophobicContact CB-CG 3.66Å; N11-E26 WeakPolarHBondContact CB-OE1 3.44Å; N11-E26 PolarHBondContact ND2-OE1 3.3Å; L12-E26 HydrophobicContact CD2-CB 4.17Å; L12-E26 HydrophobicContact CD2-CG 4.45Å; L12-E26 HydrophobicContact CG-CB 4.36Å; L12-E26 HydrophobicContact CG-CG 4.24Å; R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.19Å; V23-E26 PolarHBondContact O-N 3.09Å; Q24-E26 VanDerWaalsContact C-N 3.27Å; Q24-E26 PolarHBondContact O-N 2.9Å; E26-R29 PolarHBondContact O-N 3.19Å; E26-T30 VanDerWaalsContact O-CB 3.31Å; E26-T30 WeakPolarHBondContact O-CB 3.31Å; E26-T30 PolarHBondContact O-N 3.17Å; E26-T30 PolarHBondContact O-OG1 2.87Å |
| 27 | V | 88.2 | Confident | 84.8 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | V8 V23 Q24 T30 L31 Y43 | V8-V27 HydrophobicContact CG1-CG2 3.89Å; V8-V27 HydrophobicContact CG2-CG2 3.98Å; V23-V27 VanDerWaalsContact O-CG2 3.24Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.04Å; V23-V27 VanDerWaalsContact O-N 3.08Å; Q24-V27 PolarHBondContact O-N 3.1Å; V27-T30 PolarHBondContact O-N 3.4Å; V27-L31 HydrophobicContact CG1-CD1 3.89Å; V27-L31 HydrophobicContact CG1-CG 4.39Å; V27-L31 WeakPolarHBondContact O-CB 3.37Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.45Å; V27-Y43 HydrophobicContact CB-CE1 4.26Å; V27-Y43 HydrophobicContact CG1-CE1 4.01Å; V27-Y43 HydrophobicContact CG1-CE2 4.32Å |
| 28 | E | 86.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 178.2 | -176 | 178.8 | 137.5 | 0 | 0 | 111.8 | Q24 D25 T30 L31 M32 Y43 I44 R47 | Q24-E28 WeakPolarHBondContact O-CB 3.41Å; Q24-E28 PolarHBondContact O-N 2.91Å; D25-E28 PolarHBondContact O-N 3.47Å; E28-T30 PolarHBondContact O-N 2.89Å; E28-L31 PolarHBondContact O-N 3.44Å; E28-M32 HydrophobicContact CG-CE 3.91Å; E28-M32 WeakPolarHBondContact O-CG 3.41Å; E28-M32 PolarHBondContact O-N 3.1Å; E28-Y43 HydrophobicContact CB-CD1 4.04Å; E28-Y43 HydrophobicContact CB-CE1 4Å; E28-Y43 HydrophobicContact CG-CD1 4.48Å; E28-I44 HydrophobicContact CG-CD1 4.23Å; E28-I44 HydrophobicContact CG-CG1 3.96Å; E28-I44 WeakPolarHBondContact OE1-CG1 3.26Å; E28-I44 WeakPolarHBondContact OE2-CG1 3.27Å; E28-R47 IonicContact OE2-CZ 3.63Å; E28-R47 IonicContact OE2-NH1 2.94Å; E28-R47 PolarHBondContact OE2-NH1 3.48Å |
| 29 | R | 87.8 | Confident | 85.6 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 177.7 | -172.9 | -176.9 | -58.1 | -148.3 | 1.2 | 111.5 | D25 E26 L31 M32 E33 | D25-R29 WeakPolarHBondContact O-CB 3.27Å; D25-R29 PolarHBondContact O-N 3.16Å; E26-R29 PolarHBondContact O-N 3.19Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.31Å; R29-M32 PolarHBondContact O-N 3.26Å; R29-M32 VanDerWaalsContact O-N 3.17Å; R29-E33 HydrophobicContact CG-CG 4.38Å; R29-E33 WeakPolarHBondContact CG-OE1 3.24Å; R29-E33 WeakPolarHBondContact O-CB 3.41Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å |
| 30 | T | 90.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 179 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | I4 A7 V8 E26 V27 E28 R34 | I4-T30 HydrophobicContact CG2-CG2 3.95Å; A7-T30 HydrophobicContact CB-CG2 3.8Å; V8-T30 HydrophobicContact CG2-CG2 4.08Å; V8-T30 WeakPolarHBondContact CG2-OG1 3.27Å; E26-T30 VanDerWaalsContact O-CB 3.31Å; E26-T30 WeakPolarHBondContact O-CB 3.31Å; E26-T30 PolarHBondContact O-N 3.17Å; E26-T30 PolarHBondContact O-OG1 2.87Å; V27-T30 PolarHBondContact O-N 3.4Å; E28-T30 PolarHBondContact O-N 2.89Å; T30-R34 HydrophobicContact CG2-CG 4.25Å; T30-R34 VanDerWaalsContact O-CB 3.28Å; T30-R34 WeakPolarHBondContact O-CB 3.33Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 3.02Å |
| 31 | L | 89.7 | Confident | 86.5 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.2 | -74.5 | 168.5 | 0 | 0 | 0 | 111.8 | I4 V27 E28 R29 G35 Y36 V39 A40 Y43 | I4-L31 HydrophobicContact CD1-CD2 4.05Å; V27-L31 HydrophobicContact CG1-CD1 3.89Å; V27-L31 HydrophobicContact CG1-CG 4.39Å; V27-L31 WeakPolarHBondContact O-CB 3.37Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.45Å; E28-L31 PolarHBondContact O-N 3.44Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.31Å; L31-G35 PolarHBondContact O-N 3.14Å; L31-Y36 HydrophobicContact CD2-CD2 4.26Å; L31-Y36 HydrophobicContact CD2-CG 4.35Å; L31-Y36 PolarHBondContact O-N 3.03Å; L31-V39 HydrophobicContact CD1-CG1 4.26Å; L31-V39 HydrophobicContact CD2-CG1 4.12Å; L31-A40 HydrophobicContact CB-CB 3.97Å; L31-Y43 HydrophobicContact CD1-CD1 4.45Å; L31-Y43 HydrophobicContact CD1-CG 4.39Å |
| 32 | M | 89 | Confident | 86.9 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 176.5 | -69.3 | -172.5 | -175 | 0 | 0 | 112.2 | E28 R29 R34 G35 A40 I44 | E28-M32 HydrophobicContact CG-CE 3.91Å; E28-M32 WeakPolarHBondContact O-CG 3.41Å; E28-M32 PolarHBondContact O-N 3.1Å; R29-M32 PolarHBondContact O-N 3.26Å; R29-M32 VanDerWaalsContact O-N 3.17Å; M32-R34 VanDerWaalsContact C-N 3.29Å; M32-R34 PolarHBondContact O-N 2.94Å; M32-G35 PolarHBondContact O-N 3.45Å; M32-G35 VanDerWaalsContact O-N 3.12Å; M32-A40 HydrophobicContact CG-CB 3.9Å; M32-I44 HydrophobicContact CE-CD1 3.5Å; M32-I44 VanDerWaalsContact CE-CD1 3.5Å |
| 33 | E | 88.2 | Confident | 87.1 | Confident | 134 Ų | 134 | 72.4 Ų | 72.4 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.4 | -34.6 | 179.2 | -74.6 | 175.9 | 179.6 | 0 | 0 | 112.4 | R29 G35 | R29-E33 HydrophobicContact CG-CG 4.38Å; R29-E33 WeakPolarHBondContact CG-OE1 3.24Å; R29-E33 WeakPolarHBondContact O-CB 3.41Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å; E33-G35 VanDerWaalsContact C-N 3.28Å; E33-G35 PolarHBondContact O-N 3.07Å |
| 34 | R | 88.1 | Confident | 87.2 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.2 | 177.2 | -65.5 | -78 | -170.2 | 144.1 | 2.7 | 113.5 | E3 T30 M32 Y36 | E3-R34 IonicContact OE2-CZ 3.7Å; E3-R34 IonicContact OE2-NH1 2.73Å; E3-R34 PolarHBondContact OE2-NH1 3.25Å; T30-R34 HydrophobicContact CG2-CG 4.25Å; T30-R34 VanDerWaalsContact O-CB 3.28Å; T30-R34 WeakPolarHBondContact O-CB 3.33Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 3.02Å; M32-R34 VanDerWaalsContact C-N 3.29Å; M32-R34 PolarHBondContact O-N 2.94Å; R34-Y36 HydrophobicContact CB-CD2 3.65Å; R34-Y36 HydrophobicContact CB-CE2 3.73Å |
| 35 | G | 87.5 | Confident | 87.2 | Confident | 37 Ų | 37 | 76 Ų | 76 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 13.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L31 M32 E33 Y37 | L31-G35 PolarHBondContact O-N 3.14Å; M32-G35 PolarHBondContact O-N 3.45Å; M32-G35 VanDerWaalsContact O-N 3.12Å; E33-G35 VanDerWaalsContact C-N 3.28Å; E33-G35 PolarHBondContact O-N 3.07Å; G35-Y37 WeakPolarHBondContact O-CD2 3.03Å; G35-Y37 PolarHBondContact O-N 3.5Å |
| 36 | Y | 88.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 78 Ų | 78 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | trans | -84.1 | 53.7 | 177.4 | -64.7 | -76.1 | 0 | 0 | 0 | 111.9 | I4 L31 R34 E38 V39 A40 | I4-Y36 HydrophobicContact CD1-CD2 3.89Å; I4-Y36 HydrophobicContact CD1-CE2 3.54Å; I4-Y36 HydrophobicContact CG1-CE2 4.19Å; L31-Y36 HydrophobicContact CD2-CD2 4.26Å; L31-Y36 HydrophobicContact CD2-CG 4.35Å; L31-Y36 PolarHBondContact O-N 3.03Å; R34-Y36 HydrophobicContact CB-CD2 3.65Å; R34-Y36 HydrophobicContact CB-CE2 3.73Å; Y36-E38 PolarHBondContact O-N 3.37Å; Y36-V39 PolarHBondContact O-N 3.28Å; Y36-V39 VanDerWaalsContact O-N 3.13Å; Y36-A40 PolarHBondContact O-N 3.04Å | ||
| 37 | Y | 87.6 | Confident | 86.9 | Confident | 162 Ų | 162 | 78.4 Ų | 78.4 | 64% | 0.635 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | -170.7 | -58.2 | -67.3 | 0 | 0 | 0 | 114.2 | G35 V39 A40 K41 | G35-Y37 WeakPolarHBondContact O-CD2 3.03Å; G35-Y37 PolarHBondContact O-N 3.5Å; Y37-V39 VanDerWaalsContact C-N 3.34Å; Y37-V39 PolarHBondContact O-N 3.41Å; Y37-A40 PolarHBondContact O-N 2.89Å; Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 2.97Å |
| 38 | E | 83.6 | Confident | 86.7 | Confident | 148 Ų | 148 | 82.6 Ų | 82.6 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | 177.8 | -69.4 | -57.7 | 145.4 | 0 | 0 | 112 | Y36 A42 | Y36-E38 PolarHBondContact O-N 3.37Å; E38-A42 WeakPolarHBondContact O-CB 3.41Å; E38-A42 PolarHBondContact O-N 3.22Å |
| 39 | V | 87.4 | Confident | 86.5 | Confident | 80 Ų | 80 | 87.8 Ų | 87.8 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 177 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | L31 Y36 Y37 A42 Y43 | L31-V39 HydrophobicContact CD1-CG1 4.26Å; L31-V39 HydrophobicContact CD2-CG1 4.12Å; Y36-V39 PolarHBondContact O-N 3.28Å; Y36-V39 VanDerWaalsContact O-N 3.13Å; Y37-V39 VanDerWaalsContact C-N 3.34Å; Y37-V39 PolarHBondContact O-N 3.41Å; V39-A42 PolarHBondContact O-N 3.36Å; V39-Y43 WeakPolarHBondContact O-CB 3.36Å; V39-Y43 PolarHBondContact O-N 2.94Å |
| 40 | A | 86.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L31 M32 Y36 Y37 Y43 I44 | L31-A40 HydrophobicContact CB-CB 3.97Å; M32-A40 HydrophobicContact CG-CB 3.9Å; Y36-A40 PolarHBondContact O-N 3.04Å; Y37-A40 PolarHBondContact O-N 2.89Å; A40-Y43 WeakPolarHBondContact O-CB 3.3Å; A40-Y43 PolarHBondContact O-N 3.2Å; A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 2.92Å; A40-I44 PolarHBondContact O-N 2.96Å |
| 41 | K | 86.1 | Confident | 86 | Confident | 125 Ų | 125 | 88.1 Ų | 88.1 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.7 | -176 | -178 | 177.2 | -174.7 | 0 | 111.8 | Y37 Y43 I44 L45 | Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 2.97Å; K41-Y43 VanDerWaalsContact C-N 3.27Å; K41-Y43 PolarHBondContact O-N 3.12Å; K41-I44 PolarHBondContact O-N 3.49Å; K41-L45 HydrophobicContact CG-CD1 4.49Å; K41-L45 WeakPolarHBondContact O-CG 3.42Å; K41-L45 PolarHBondContact O-N 2.96Å; K41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | A | 85.1 | Confident | 85.7 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E38 V39 Y46 | E38-A42 WeakPolarHBondContact O-CB 3.41Å; E38-A42 PolarHBondContact O-N 3.22Å; V39-A42 PolarHBondContact O-N 3.36Å; A42-Y46 VanDerWaalsContact O-CB 3.27Å; A42-Y46 WeakPolarHBondContact O-CB 3.41Å; A42-Y46 PolarHBondContact O-N 2.79Å |
| 43 | Y | 85.7 | Confident | 85.6 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.5 | -176.2 | -108.4 | 0 | 0 | 0 | 112.7 | Q24 V27 E28 L31 V39 A40 K41 Y46 R47 | Q24-Y43 VanDerWaalsContact CA-OH 3.25Å; Q24-Y43 WeakPolarHBondContact CA-OH 3.13Å; Q24-Y43 WeakPolarHBondContact CB-OH 3.44Å; Q24-Y43 WeakPolarHBondContact CG-OH 3.3Å; Q24-Y43 WeakPolarHBondContact O-CE1 3.46Å; V27-Y43 HydrophobicContact CB-CE1 4.26Å; V27-Y43 HydrophobicContact CG1-CE1 4.01Å; V27-Y43 HydrophobicContact CG1-CE2 4.32Å; E28-Y43 HydrophobicContact CB-CD1 4.04Å; E28-Y43 HydrophobicContact CB-CE1 4Å; E28-Y43 HydrophobicContact CG-CD1 4.48Å; L31-Y43 HydrophobicContact CD1-CD1 4.45Å; L31-Y43 HydrophobicContact CD1-CG 4.39Å; V39-Y43 WeakPolarHBondContact O-CB 3.36Å; V39-Y43 PolarHBondContact O-N 2.94Å; A40-Y43 WeakPolarHBondContact O-CB 3.3Å; A40-Y43 PolarHBondContact O-N 3.2Å; K41-Y43 VanDerWaalsContact C-N 3.27Å; K41-Y43 PolarHBondContact O-N 3.12Å; Y43-Y46 WeakPolarHBondContact O-CB 3.46Å; Y43-Y46 PolarHBondContact O-N 3.02Å; Y43-R47 HydrophobicContact CD1-CG 4.35Å; Y43-R47 HydrophobicContact CE1-CG 4.07Å; Y43-R47 HydrophobicContact CE2-CG 4.44Å; Y43-R47 WeakPolarHBondContact O-CG 3.46Å; Y43-R47 PolarHBondContact O-N 3.22Å |
| 44 | I | 87.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 174.9 | -70.9 | 160.2 | 0 | 0 | 0 | 110.7 | E28 M32 A40 K41 Y46 R47 E48 | E28-I44 HydrophobicContact CG-CD1 4.23Å; E28-I44 HydrophobicContact CG-CG1 3.96Å; E28-I44 WeakPolarHBondContact OE1-CG1 3.26Å; E28-I44 WeakPolarHBondContact OE2-CG1 3.27Å; M32-I44 HydrophobicContact CE-CD1 3.5Å; M32-I44 VanDerWaalsContact CE-CD1 3.5Å; A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 2.92Å; A40-I44 PolarHBondContact O-N 2.96Å; K41-I44 PolarHBondContact O-N 3.49Å; I44-Y46 VanDerWaalsContact C-N 3.28Å; I44-Y46 PolarHBondContact O-N 2.88Å; I44-R47 WeakPolarHBondContact O-CB 3.18Å; I44-R47 PolarHBondContact O-N 3.27Å; I44-R47 VanDerWaalsContact O-N 3.13Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 3.32Å |
| 45 | L | 83.9 | Confident | 85.6 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 179.1 | -68.8 | 174.5 | 0 | 0 | 0 | 111.5 | K41 K49 | K41-L45 HydrophobicContact CG-CD1 4.49Å; K41-L45 WeakPolarHBondContact O-CG 3.42Å; K41-L45 PolarHBondContact O-N 2.96Å; K41-L45 VanDerWaalsContact O-N 3.08Å; L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 3.26Å |
| 46 | Y | 84.4 | Confident | 85.8 | Confident | 122 Ų | 122 | 86.8 Ų | 86.8 | 48% | 0.478 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 173.7 | 174.2 | -97.8 | 0 | 0 | 0 | 112.2 | A42 Y43 I44 K49 R50 | A42-Y46 VanDerWaalsContact O-CB 3.27Å; A42-Y46 WeakPolarHBondContact O-CB 3.41Å; A42-Y46 PolarHBondContact O-N 2.79Å; Y43-Y46 WeakPolarHBondContact O-CB 3.46Å; Y43-Y46 PolarHBondContact O-N 3.02Å; I44-Y46 VanDerWaalsContact C-N 3.28Å; I44-Y46 PolarHBondContact O-N 2.88Å; Y46-K49 PolarHBondContact O-N 3.13Å; Y46-R50 HydrophobicContact CD1-CG 4.4Å; Y46-R50 HydrophobicContact CE1-CG 3.99Å; Y46-R50 HydrophobicContact CE2-CG 4.16Å; Y46-R50 WeakPolarHBondContact O-CB 3.26Å; Y46-R50 VanDerWaalsContact O-CG 3.31Å; Y46-R50 WeakPolarHBondContact O-CG 3.23Å; Y46-R50 PolarHBondContact O-N 3.34Å; Y46-R50 PolarHBondContact OH-NE 2.84Å; Y46-R50 PolarHBondContact OH-NH2 2.69Å; Y46-R50 VanDerWaalsContact OH-NH2 3.17Å |
| 47 | R | 84.4 | Confident | 86 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 13% | 0.125 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.1 | -75 | -179.3 | 68.8 | -170.3 | 9.2 | 112.4 | Q24 D25 E28 Y43 I44 R50 S51 | Q24-R47 VanDerWaalsContact CB-CZ 3.45Å; D25-R47 IonicContact OD1-CZ 2.77Å; D25-R47 IonicContact OD1-NH1 3.87Å; D25-R47 PolarHBondContact OD1-NH1 3.48Å; D25-R47 IonicContact OD1-NH2 3.94Å; D25-R47 PolarHBondContact OD1-NH2 2.9Å; E28-R47 IonicContact OE2-CZ 3.63Å; E28-R47 IonicContact OE2-NH1 2.94Å; E28-R47 PolarHBondContact OE2-NH1 3.48Å; Y43-R47 HydrophobicContact CD1-CG 4.35Å; Y43-R47 HydrophobicContact CE1-CG 4.07Å; Y43-R47 HydrophobicContact CE2-CG 4.44Å; Y43-R47 WeakPolarHBondContact O-CG 3.46Å; Y43-R47 PolarHBondContact O-N 3.22Å; I44-R47 WeakPolarHBondContact O-CB 3.18Å; I44-R47 PolarHBondContact O-N 3.27Å; I44-R47 VanDerWaalsContact O-N 3.13Å; R47-R50 PolarHBondContact O-N 2.72Å; R47-S51 WeakPolarHBondContact O-CB 3.4Å; R47-S51 PolarHBondContact O-N 3.11Å; R47-S51 PolarHBondContact O-OG 3.04Å |
| 48 | E | 84.2 | Confident | 86.1 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.9 | -48.1 | 178.5 | -175.7 | 176.3 | -161.9 | 0 | 0 | 110.4 | I44 R50 S51 A52 | I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 3.32Å; E48-R50 PolarHBondContact O-N 2.93Å; E48-S51 PolarHBondContact O-N 3.42Å; E48-S51 VanDerWaalsContact O-N 3.14Å; E48-A52 PolarHBondContact O-N 3.38Å |
| 49 | K | 82.2 | Confident | 86.6 | Confident | 152 Ų | 152 | 74.6 Ų | 74.6 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.6 | -46 | 174.8 | -172.4 | 174.8 | -177.1 | 175.5 | 0 | 111.6 | L45 Y46 S51 A52 L53 | L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 3.26Å; Y46-K49 PolarHBondContact O-N 3.13Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 3.28Å; K49-A52 PolarHBondContact O-N 2.95Å; K49-L53 HydrophobicContact CG-CD1 4.38Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.48Å; K49-L53 PolarHBondContact O-N 2.87Å |
| 50 | R | 82.9 | Confident | 86.9 | Confident | 124 Ų | 124 | 70.8 Ų | 70.8 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 176.3 | -73.5 | -68.3 | -172.9 | -174.7 | 0.5 | 112.4 | Y46 R47 E48 L53 R54 | Y46-R50 HydrophobicContact CD1-CG 4.4Å; Y46-R50 HydrophobicContact CE1-CG 3.99Å; Y46-R50 HydrophobicContact CE2-CG 4.16Å; Y46-R50 WeakPolarHBondContact O-CB 3.26Å; Y46-R50 VanDerWaalsContact O-CG 3.31Å; Y46-R50 WeakPolarHBondContact O-CG 3.23Å; Y46-R50 PolarHBondContact O-N 3.34Å; Y46-R50 PolarHBondContact OH-NE 2.84Å; Y46-R50 PolarHBondContact OH-NH2 2.69Å; Y46-R50 VanDerWaalsContact OH-NH2 3.17Å; R47-R50 PolarHBondContact O-N 2.72Å; E48-R50 PolarHBondContact O-N 2.93Å; R50-L53 PolarHBondContact O-N 3.46Å; R50-R54 WeakPolarHBondContact O-CG 3.45Å; R50-R54 PolarHBondContact O-N 3.08Å |
| 51 | S | 84.4 | Confident | 87.2 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 178.6 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | R47 E48 K49 R54 R55 | R47-S51 WeakPolarHBondContact O-CB 3.4Å; R47-S51 PolarHBondContact O-N 3.11Å; R47-S51 PolarHBondContact O-OG 3.04Å; E48-S51 PolarHBondContact O-N 3.42Å; E48-S51 VanDerWaalsContact O-N 3.14Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 3.28Å; S51-R54 PolarHBondContact O-N 3.33Å; S51-R54 PolarHBondContact OG-NH2 3.47Å; S51-R54 VanDerWaalsContact OG-NH2 3.15Å; S51-R55 WeakPolarHBondContact O-CG 3.47Å; S51-R55 PolarHBondContact O-N 3.19Å |
| 52 | A | 84.1 | Confident | 87.5 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E48 K49 R54 R55 V56 | E48-A52 PolarHBondContact O-N 3.38Å; K49-A52 PolarHBondContact O-N 2.95Å; A52-R54 VanDerWaalsContact C-N 3.35Å; A52-R54 PolarHBondContact O-N 3Å; A52-R55 WeakPolarHBondContact O-CB 3.36Å; A52-R55 PolarHBondContact O-N 2.98Å; A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 3.45Å |
| 53 | L | 85.3 | Confident | 87.8 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.8 | -68 | 171.4 | 0 | 0 | 0 | 112.3 | K49 R50 R57 | K49-L53 HydrophobicContact CG-CD1 4.38Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.48Å; K49-L53 PolarHBondContact O-N 2.87Å; R50-L53 PolarHBondContact O-N 3.46Å; L53-R57 PolarHBondContact O-N 3.48Å |
| 54 | R | 87.5 | Confident | 88.1 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.1 | -77.8 | -171.1 | -69.4 | 172.8 | 3.5 | 111.9 | E21 R50 S51 A52 R57 H58 | E21-R54 IonicContact OE1-CZ 2.94Å; E21-R54 IonicContact OE1-NH1 3.28Å; E21-R54 PolarHBondContact OE1-NH1 3.48Å; E21-R54 IonicContact OE1-NH2 2.76Å; E21-R54 PolarHBondContact OE1-NH2 3.48Å; R50-R54 WeakPolarHBondContact O-CG 3.45Å; R50-R54 PolarHBondContact O-N 3.08Å; S51-R54 PolarHBondContact O-N 3.33Å; S51-R54 PolarHBondContact OG-NH2 3.47Å; S51-R54 VanDerWaalsContact OG-NH2 3.15Å; A52-R54 VanDerWaalsContact C-N 3.35Å; A52-R54 PolarHBondContact O-N 3Å; R54-R57 PolarHBondContact O-N 3.44Å; R54-H58 WeakPolarHBondContact O-CB 3.31Å; R54-H58 PolarHBondContact O-N 3.06Å |
| 55 | R | 89.8 | Confident | 88.2 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 178.2 | -75.1 | -173 | -62.3 | -101.6 | 6.2 | 112.1 | S51 A52 H58 T59 | S51-R55 WeakPolarHBondContact O-CG 3.47Å; S51-R55 PolarHBondContact O-N 3.19Å; A52-R55 WeakPolarHBondContact O-CB 3.36Å; A52-R55 PolarHBondContact O-N 2.98Å; R55-H58 PolarHBondContact O-N 3.03Å; R55-T59 WeakPolarHBondContact O-CB 3.32Å; R55-T59 PolarHBondContact O-N 3.35Å; R55-T59 PolarHBondContact O-OG1 3.42Å |
| 56 | V | 91.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | A52 H58 T59 I60 L87 A88 Q91 | A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 3.45Å; V56-H58 PolarHBondContact O-N 2.98Å; V56-T59 PolarHBondContact O-N 3.02Å; V56-I60 HydrophobicContact CG1-CD1 4.03Å; V56-I60 WeakPolarHBondContact O-CG1 3.16Å; V56-I60 PolarHBondContact O-N 3.46Å; V56-L87 HydrophobicContact CG1-CB 3.67Å; V56-L87 WeakPolarHBondContact CG1-O 3.32Å; V56-A88 HydrophobicContact CG2-CB 4.45Å; V56-Q91 HydrophobicContact CG1-CB 4.3Å |
| 57 | R | 92.9 | Very high | 88.7 | Confident | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 178.5 | -66.7 | -161.7 | -49 | -86.7 | 0.1 | 112.6 | L53 R54 T59 I60 A61 D70 L73 Q77 L87 | L53-R57 PolarHBondContact O-N 3.48Å; R54-R57 PolarHBondContact O-N 3.44Å; R57-T59 VanDerWaalsContact C-N 3.28Å; R57-T59 PolarHBondContact O-N 2.91Å; R57-I60 PolarHBondContact O-N 3.31Å; R57-A61 WeakPolarHBondContact O-CB 3.32Å; R57-A61 PolarHBondContact O-N 3.39Å; R57-D70 VanDerWaalsContact CB-OD1 3.27Å; R57-D70 WeakPolarHBondContact CB-OD1 3.05Å; R57-D70 IonicContact CZ-OD1 2.97Å; R57-D70 IonicContact NE-OD1 2.69Å; R57-D70 PolarHBondContact NE-OD1 3.14Å; R57-D70 IonicContact NH2-OD1 2.8Å; R57-L73 HydrophobicContact CB-CB 4.34Å; R57-L73 HydrophobicContact CB-CD1 4.31Å; R57-L73 HydrophobicContact CG-CB 3.92Å; R57-Q77 VanDerWaalsContact CD-OE1 3.29Å; R57-L87 HydrophobicContact CG-CD1 3.6Å |
| 58 | H | 90 | Very high | 89 | Confident | 93 Ų | 93 | 64.4 Ų | 64.4 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 179.6 | -167.1 | 57.6 | 0 | 0 | 0 | 111.5 | R54 R55 V56 A61 Q62 | R54-H58 WeakPolarHBondContact O-CB 3.31Å; R54-H58 PolarHBondContact O-N 3.06Å; R55-H58 PolarHBondContact O-N 3.03Å; V56-H58 PolarHBondContact O-N 2.98Å; H58-A61 PolarHBondContact O-N 3Å; H58-Q62 PolarHBondContact CD2-OE1 3.01Å; H58-Q62 PolarHBondContact CE1-NE2 3.25Å; H58-Q62 VanDerWaalsContact NE2-CD 3.31Å; H58-Q62 PolarHBondContact NE2-NE2 3.48Å; H58-Q62 VanDerWaalsContact O-CB 3.28Å; H58-Q62 WeakPolarHBondContact O-CB 3.24Å; H58-Q62 VanDerWaalsContact O-CG 3.25Å; H58-Q62 WeakPolarHBondContact O-CG 3.2Å; H58-Q62 PolarHBondContact O-N 2.8Å |
| 59 | T | 92.2 | Very high | 89.4 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 28% | 0.282 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | R55 V56 R57 T63 | R55-T59 WeakPolarHBondContact O-CB 3.32Å; R55-T59 PolarHBondContact O-N 3.35Å; R55-T59 PolarHBondContact O-OG1 3.42Å; V56-T59 PolarHBondContact O-N 3.02Å; R57-T59 VanDerWaalsContact C-N 3.28Å; R57-T59 PolarHBondContact O-N 2.91Å; T59-T63 VanDerWaalsContact O-CB 3.24Å; T59-T63 WeakPolarHBondContact O-CB 3.45Å; T59-T63 PolarHBondContact O-N 2.89Å; T59-T63 PolarHBondContact O-OG1 3.44Å |
| 60 | I | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 176.1 | -65.2 | 169.1 | 0 | 0 | 0 | 110.4 | V56 R57 Q62 T63 V64 L69 L73 L87 L90 Q91 F94 L111 | V56-I60 HydrophobicContact CG1-CD1 4.03Å; V56-I60 WeakPolarHBondContact O-CG1 3.16Å; V56-I60 PolarHBondContact O-N 3.46Å; R57-I60 PolarHBondContact O-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.22Å; I60-T63 PolarHBondContact O-N 2.91Å; I60-V64 WeakPolarHBondContact O-CG2 3.18Å; I60-V64 PolarHBondContact O-N 3.47Å; I60-L69 HydrophobicContact CG2-CD2 4.22Å; I60-L73 HydrophobicContact CB-CD1 3.87Å; I60-L73 HydrophobicContact CD1-CD1 4.49Å; I60-L73 HydrophobicContact CG2-CD1 3.75Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å; I60-L87 HydrophobicContact CD1-CB 4.3Å; I60-L90 HydrophobicContact CD1-CD2 4.48Å; I60-Q91 HydrophobicContact CD1-CB 4.03Å; I60-Q91 HydrophobicContact CG1-CB 3.92Å; I60-Q91 HydrophobicContact CG1-CG 4.16Å; I60-F94 HydrophobicContact CG2-CD1 4.43Å; I60-L111 HydrophobicContact CG2-CD1 3.83Å; I60-L111 HydrophobicContact CG2-CD2 3.71Å; I60-L111 HydrophobicContact CG2-CG 4.45Å |
| 61 | A | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R57 H58 V64 G65 D66 L69 | R57-A61 WeakPolarHBondContact O-CB 3.32Å; R57-A61 PolarHBondContact O-N 3.39Å; H58-A61 PolarHBondContact O-N 3Å; A61-V64 PolarHBondContact O-N 3.46Å; A61-G65 PolarHBondContact O-N 2.98Å; A61-D66 PolarHBondContact O-N 2.61Å; A61-L69 HydrophobicContact CB-CB 4.46Å |
| 62 | Q | 91.3 | Very high | 90.8 | Very high | 111 Ų | 111 | 52.3 Ų | 52.3 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.5 | -75.1 | -177.9 | -34.4 | 0 | 0 | 112.7 | H58 I60 G65 | H58-Q62 PolarHBondContact CD2-OE1 3.01Å; H58-Q62 PolarHBondContact CE1-NE2 3.25Å; H58-Q62 VanDerWaalsContact NE2-CD 3.31Å; H58-Q62 PolarHBondContact NE2-NE2 3.48Å; H58-Q62 VanDerWaalsContact O-CB 3.28Å; H58-Q62 WeakPolarHBondContact O-CB 3.24Å; H58-Q62 VanDerWaalsContact O-CG 3.25Å; H58-Q62 WeakPolarHBondContact O-CG 3.2Å; H58-Q62 PolarHBondContact O-N 2.8Å; I60-Q62 PolarHBondContact O-N 3.22Å; Q62-G65 PolarHBondContact O-N 2.9Å |
| 63 | T | 91.1 | Very high | 91.4 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 179.2 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | T59 I60 F94 R107 | T59-T63 VanDerWaalsContact O-CB 3.24Å; T59-T63 WeakPolarHBondContact O-CB 3.45Å; T59-T63 PolarHBondContact O-N 2.89Å; T59-T63 PolarHBondContact O-OG1 3.44Å; I60-T63 PolarHBondContact O-N 2.91Å; T63-F94 HydrophobicContact CG2-CD1 4.41Å; T63-F94 HydrophobicContact CG2-CE1 3.6Å; T63-F94 HydrophobicContact CG2-CZ 4Å; T63-R107 WeakPolarHBondContact O-CD 3.44Å; T63-R107 PolarHBondContact O-NE 3.18Å |
| 64 | V | 92.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | I60 A61 D66 L69 F94 R107 A108 L111 | I60-V64 WeakPolarHBondContact O-CG2 3.18Å; I60-V64 PolarHBondContact O-N 3.47Å; A61-V64 PolarHBondContact O-N 3.46Å; V64-D66 HydrophobicContact CG1-CB 4.09Å; V64-L69 HydrophobicContact CB-CD2 4.2Å; V64-L69 HydrophobicContact CG1-CD2 4.47Å; V64-L69 HydrophobicContact CG2-CD2 3.87Å; V64-F94 HydrophobicContact CG2-CE1 3.79Å; V64-F94 HydrophobicContact CG2-CZ 3.64Å; V64-R107 VanDerWaalsContact O-CZ 3.3Å; V64-R107 PolarHBondContact O-NE 3.24Å; V64-R107 PolarHBondContact O-NH2 3.06Å; V64-A108 HydrophobicContact CG1-CB 4.17Å; V64-L111 HydrophobicContact CG2-CB 4.33Å; V64-L111 HydrophobicContact CG2-CD2 3.77Å |
| 65 | G | 89.6 | Confident | 92.2 | Very high | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | 6.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A61 Q62 | A61-G65 PolarHBondContact O-N 2.98Å; Q62-G65 PolarHBondContact O-N 2.9Å |
| 66 | D | 89.8 | Confident | 92.5 | Very high | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | trans | -117.5 | 106.5 | -176.2 | -179.1 | 1.2 | 0 | 0 | 0 | 110.9 | A61 V64 S68 L69 H136 | A61-D66 PolarHBondContact O-N 2.61Å; V64-D66 HydrophobicContact CG1-CB 4.09Å; D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 VanDerWaalsContact CG-OG 3.26Å; D66-S68 PolarHBondContact O-N 3.02Å; D66-S68 WeakPolarHBondContact OD1-CA 3.39Å; D66-S68 VanDerWaalsContact OD1-CB 3.32Å; D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 2.95Å; D66-S68 PolarHBondContact OD1-OG 3.14Å; D66-S68 PolarHBondContact OD2-OG 3.3Å; D66-L69 HydrophobicContact CB-CB 4.43Å; D66-L69 VanDerWaalsContact O-CB 3.26Å; D66-L69 WeakPolarHBondContact O-CB 3.38Å; D66-L69 PolarHBondContact O-N 3.41Å; D66-H136 IonicContact OD2-CD2 2.7Å; D66-H136 IonicContact OD2-CE1 2.77Å; D66-H136 IonicContact OD2-NE2 3.71Å; D66-H136 PolarHBondContact OD2-NE2 3.22Å | ||
| 67 | N | 87.8 | Confident | 92.6 | Very high | 125 Ų | 125 | 45.6 Ų | 45.6 | 67% | 0.668 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.2 | 178.8 | -70.8 | -41 | 0 | 0 | 0 | 113.3 | L69 D70 | N67-L69 PolarHBondContact O-N 2.9Å; N67-D70 PolarHBondContact O-N 3.29Å |
| 68 | S | 90.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.4 | 178.8 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | D66 D70 H136 | D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 VanDerWaalsContact CG-OG 3.26Å; D66-S68 PolarHBondContact O-N 3.02Å; D66-S68 WeakPolarHBondContact OD1-CA 3.39Å; D66-S68 VanDerWaalsContact OD1-CB 3.32Å; D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 2.95Å; D66-S68 PolarHBondContact OD1-OG 3.14Å; D66-S68 PolarHBondContact OD2-OG 3.3Å; S68-D70 VanDerWaalsContact C-N 3.28Å; S68-D70 PolarHBondContact O-N 3.33Å; S68-H136 PolarHBondContact OG-CE1 3.39Å; S68-H136 PolarHBondContact OG-NE2 3.34Å |
| 69 | L | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -25.6 | 175.9 | -175.8 | 62.4 | 0 | 0 | 0 | 113.5 | I60 A61 V64 D66 N67 E71 V72 L73 L111 L133 | I60-L69 HydrophobicContact CG2-CD2 4.22Å; A61-L69 HydrophobicContact CB-CB 4.46Å; V64-L69 HydrophobicContact CB-CD2 4.2Å; V64-L69 HydrophobicContact CG1-CD2 4.47Å; V64-L69 HydrophobicContact CG2-CD2 3.87Å; D66-L69 HydrophobicContact CB-CB 4.43Å; D66-L69 VanDerWaalsContact O-CB 3.26Å; D66-L69 WeakPolarHBondContact O-CB 3.38Å; D66-L69 PolarHBondContact O-N 3.41Å; N67-L69 PolarHBondContact O-N 2.9Å; L69-E71 PolarHBondContact O-N 2.59Å; L69-V72 HydrophobicContact CD1-CB 4.31Å; L69-V72 PolarHBondContact O-N 3.13Å; L69-V72 VanDerWaalsContact O-N 3.14Å; L69-L73 HydrophobicContact CD1-CG 4.35Å; L69-L73 HydrophobicContact CD2-CD1 4.25Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4Å; L69-L73 WeakPolarHBondContact O-CG 3.03Å; L69-L73 PolarHBondContact O-N 2.96Å; L69-L111 HydrophobicContact CD2-CD2 3.6Å; L69-L133 HydrophobicContact CD1-CD2 3.94Å |
| 70 | D | 92.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -36.7 | -178.7 | -178.5 | 64.6 | 0 | 0 | 0 | 112 | R57 N67 S68 L73 R74 | R57-D70 VanDerWaalsContact CB-OD1 3.27Å; R57-D70 WeakPolarHBondContact CB-OD1 3.05Å; R57-D70 IonicContact CZ-OD1 2.97Å; R57-D70 IonicContact NE-OD1 2.69Å; R57-D70 PolarHBondContact NE-OD1 3.14Å; R57-D70 IonicContact NH2-OD1 2.8Å; N67-D70 PolarHBondContact O-N 3.29Å; S68-D70 VanDerWaalsContact C-N 3.28Å; S68-D70 PolarHBondContact O-N 3.33Å; D70-L73 PolarHBondContact O-N 3.2Å; D70-R74 VanDerWaalsContact O-CB 3.27Å; D70-R74 WeakPolarHBondContact O-CB 3.25Å; D70-R74 PolarHBondContact O-N 3.24Å |
| 71 | E | 92 | Very high | 92.8 | Very high | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.4 | 177.4 | 53.9 | -157.3 | 0 | 0 | 111.6 | L69 R74 R75 | L69-E71 PolarHBondContact O-N 2.59Å; E71-R74 VanDerWaalsContact CD-NH2 3.3Å; E71-R74 WeakPolarHBondContact O-CB 3.4Å; E71-R74 PolarHBondContact O-N 2.95Å; E71-R74 IonicContact OE1-CZ 2.63Å; E71-R74 IonicContact OE1-NE 3.29Å; E71-R74 IonicContact OE1-NH2 2.67Å; E71-R74 PolarHBondContact OE1-NH2 3.24Å; E71-R74 IonicContact OE2-CZ 3.77Å; E71-R74 IonicContact OE2-NE 3.27Å; E71-R74 PolarHBondContact OE2-NE 3.13Å; E71-R74 IonicContact OE2-NH2 2.83Å; E71-R74 PolarHBondContact OE2-NH2 2.76Å; E71-R74 VanDerWaalsContact OE2-NH2 3.12Å; E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 2.92Å |
| 72 | V | 94.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | L69 R74 R75 I76 R132 H136 | L69-V72 HydrophobicContact CD1-CB 4.31Å; L69-V72 PolarHBondContact O-N 3.13Å; L69-V72 VanDerWaalsContact O-N 3.14Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.25Å; V72-R75 PolarHBondContact O-N 2.8Å; V72-I76 HydrophobicContact CG1-CD1 3.9Å; V72-I76 WeakPolarHBondContact O-CG1 3.43Å; V72-I76 PolarHBondContact O-N 3.25Å; V72-R132 HydrophobicContact CG1-CB 4.39Å; V72-H136 HydrophobicContact CG2-CB 4.16Å; V72-H136 WeakPolarHBondContact CG2-ND1 3.08Å |
| 73 | L | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 176.1 | -67.3 | 173.3 | 0 | 0 | 0 | 112.1 | R57 I60 L69 D70 I76 Q77 L87 L90 L133 | R57-L73 HydrophobicContact CB-CB 4.34Å; R57-L73 HydrophobicContact CB-CD1 4.31Å; R57-L73 HydrophobicContact CG-CB 3.92Å; I60-L73 HydrophobicContact CB-CD1 3.87Å; I60-L73 HydrophobicContact CD1-CD1 4.49Å; I60-L73 HydrophobicContact CG2-CD1 3.75Å; I60-L73 HydrophobicContact CG2-CD2 4.42Å; L69-L73 HydrophobicContact CD1-CG 4.35Å; L69-L73 HydrophobicContact CD2-CD1 4.25Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4Å; L69-L73 WeakPolarHBondContact O-CG 3.03Å; L69-L73 PolarHBondContact O-N 2.96Å; D70-L73 PolarHBondContact O-N 3.2Å; L73-I76 HydrophobicContact CD2-CD1 4.41Å; L73-I76 PolarHBondContact O-N 3.29Å; L73-Q77 PolarHBondContact O-N 3.03Å; L73-L87 HydrophobicContact CB-CD1 3.97Å; L73-L87 HydrophobicContact CD2-CD1 4.19Å; L73-L87 HydrophobicContact CD2-CD2 4.14Å; L73-L90 HydrophobicContact CD2-CD2 4.49Å; L73-L133 HydrophobicContact CD2-CD2 4.24Å |
| 74 | R | 94.3 | Very high | 92.4 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.9 | -172.4 | -172.2 | 70.9 | 79 | -1.3 | 111 | D70 E71 V72 Q77 M78 | D70-R74 VanDerWaalsContact O-CB 3.27Å; D70-R74 WeakPolarHBondContact O-CB 3.25Å; D70-R74 PolarHBondContact O-N 3.24Å; E71-R74 VanDerWaalsContact CD-NH2 3.3Å; E71-R74 WeakPolarHBondContact O-CB 3.4Å; E71-R74 PolarHBondContact O-N 2.95Å; E71-R74 IonicContact OE1-CZ 2.63Å; E71-R74 IonicContact OE1-NE 3.29Å; E71-R74 IonicContact OE1-NH2 2.67Å; E71-R74 PolarHBondContact OE1-NH2 3.24Å; E71-R74 IonicContact OE2-CZ 3.77Å; E71-R74 IonicContact OE2-NE 3.27Å; E71-R74 PolarHBondContact OE2-NE 3.13Å; E71-R74 IonicContact OE2-NH2 2.83Å; E71-R74 PolarHBondContact OE2-NH2 2.76Å; E71-R74 VanDerWaalsContact OE2-NH2 3.12Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.25Å; R74-Q77 PolarHBondContact O-N 3.02Å; R74-M78 PolarHBondContact NH1-SD 3.4Å; R74-M78 WeakPolarHBondContact O-CG 3.09Å; R74-M78 PolarHBondContact O-N 3.4Å; R74-M78 VanDerWaalsContact O-N 3.11Å |
| 75 | R | 94.7 | Very high | 92.6 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175 | -68.1 | -174.2 | 71 | -153.8 | -9.4 | 111.9 | E71 V72 Q77 M78 D79 E193 | E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 2.92Å; V72-R75 PolarHBondContact O-N 2.8Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; R75-Q77 PolarHBondContact O-N 3.46Å; R75-M78 PolarHBondContact O-N 3.05Å; R75-D79 PolarHBondContact O-N 2.94Å; R75-E193 IonicContact CZ-OE1 3.39Å; R75-E193 IonicContact CZ-OE2 3.54Å; R75-E193 IonicContact NE-OE1 2.82Å; R75-E193 IonicContact NH1-OE1 3.36Å; R75-E193 PolarHBondContact NH1-OE1 3.3Å; R75-E193 IonicContact NH2-OE1 3.57Å; R75-E193 PolarHBondContact NH2-OE1 3.23Å; R75-E193 IonicContact NH2-OE2 3.12Å; R75-E193 PolarHBondContact NH2-OE2 2.88Å |
| 76 | I | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 172.7 | -71.5 | 160.2 | 0 | 0 | 0 | 110.6 | V72 L73 M78 D79 F80 L87 I129 R132 L133 | V72-I76 HydrophobicContact CG1-CD1 3.9Å; V72-I76 WeakPolarHBondContact O-CG1 3.43Å; V72-I76 PolarHBondContact O-N 3.25Å; L73-I76 HydrophobicContact CD2-CD1 4.41Å; L73-I76 PolarHBondContact O-N 3.29Å; I76-M78 PolarHBondContact O-N 3.07Å; I76-D79 PolarHBondContact O-N 3.19Å; I76-F80 HydrophobicContact CB-CD2 4.47Å; I76-F80 HydrophobicContact CG2-CD2 4.03Å; I76-F80 WeakPolarHBondContact O-CB 3.45Å; I76-F80 WeakPolarHBondContact O-CD2 3.45Å; I76-F80 PolarHBondContact O-N 3.18Å; I76-L87 HydrophobicContact CG2-CD2 3.83Å; I76-I129 HydrophobicContact CD1-CG2 3.97Å; I76-I129 HydrophobicContact CG1-CG2 4.34Å; I76-I129 HydrophobicContact CG2-CD1 4.12Å; I76-I129 HydrophobicContact CG2-CG1 4.07Å; I76-I129 HydrophobicContact CG2-CG2 3.91Å; I76-R132 HydrophobicContact CD1-CB 4.42Å; I76-L133 HydrophobicContact CD1-CD2 4.16Å; I76-L133 HydrophobicContact CD1-CG 4.38Å |
| 77 | Q | 93.2 | Very high | 93 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -28 | 176.2 | -98.9 | 176.3 | -11.6 | 0 | 0 | 114.4 | R57 L73 R74 R75 L87 | R57-Q77 VanDerWaalsContact CD-OE1 3.29Å; L73-Q77 PolarHBondContact O-N 3.03Å; R74-Q77 PolarHBondContact O-N 3.02Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; R75-Q77 PolarHBondContact O-N 3.46Å; Q77-L87 HydrophobicContact CG-CD1 3.58Å; Q77-L87 HydrophobicContact CG-CG 3.83Å |
| 78 | M | 92.6 | Very high | 93.2 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -80.1 | -40.4 | 178.3 | -75 | -178.8 | 56.2 | 0 | 0 | 112 | R74 R75 I76 T81 | R74-M78 PolarHBondContact NH1-SD 3.4Å; R74-M78 WeakPolarHBondContact O-CG 3.09Å; R74-M78 PolarHBondContact O-N 3.4Å; R74-M78 VanDerWaalsContact O-N 3.11Å; R75-M78 PolarHBondContact O-N 3.05Å; I76-M78 PolarHBondContact O-N 3.07Å; M78-T81 VanDerWaalsContact O-CG2 3.31Å; M78-T81 WeakPolarHBondContact O-CG2 3.4Å |
| 79 | D | 95 | Very high | 93.3 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -85 | -29.9 | -174 | -62.5 | -8.6 | 0 | 0 | 0 | 112 | R75 I76 R132 | R75-D79 PolarHBondContact O-N 2.94Å; I76-D79 PolarHBondContact O-N 3.19Å; D79-R132 IonicContact OD2-CZ 3.85Å; D79-R132 IonicContact OD2-NH1 3.81Å; D79-R132 PolarHBondContact OD2-NH1 2.86Å; D79-R132 IonicContact OD2-NH2 2.99Å; D79-R132 PolarHBondContact OD2-NH2 3.48Å |
| 80 | F | 95.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | trans | -115.7 | 78.9 | -179.2 | -53.6 | -80.1 | 0 | 0 | 0 | 110.5 | I76 Y85 K125 F128 I129 | I76-F80 HydrophobicContact CB-CD2 4.47Å; I76-F80 HydrophobicContact CG2-CD2 4.03Å; I76-F80 WeakPolarHBondContact O-CB 3.45Å; I76-F80 WeakPolarHBondContact O-CD2 3.45Å; I76-F80 PolarHBondContact O-N 3.18Å; F80-Y85 HydrophobicContact CB-CD2 4.3Å; F80-Y85 HydrophobicContact CB-CG 4.16Å; F80-K125 HydrophobicContact CD1-CB 3.82Å; F80-K125 HydrophobicContact CD1-CD 3.84Å; F80-K125 HydrophobicContact CD1-CG 4.46Å; F80-K125 HydrophobicContact CE1-CB 3.7Å; F80-K125 HydrophobicContact CE1-CD 3.99Å; F80-K125 HydrophobicContact CE1-CG 4.33Å; F80-F128 HydrophobicContact CE1-CB 4.48Å; F80-F128 HydrophobicContact CZ-CB 3.97Å; F80-I129 HydrophobicContact CB-CD1 4.12Å; F80-I129 HydrophobicContact CD1-CD1 4.3Å; F80-I129 HydrophobicContact CD1-CG1 4.34Å; F80-I129 HydrophobicContact CD2-CD1 3.9Å; F80-I129 HydrophobicContact CD2-CG1 3.59Å; F80-I129 HydrophobicContact CE1-CG1 4.38Å; F80-I129 HydrophobicContact CE2-CD1 4.41Å; F80-I129 HydrophobicContact CE2-CG1 3.63Å; F80-I129 HydrophobicContact CG-CD1 3.83Å; F80-I129 HydrophobicContact CG-CG1 3.96Å; F80-I129 HydrophobicContact CZ-CG1 4.03Å | ||
| 81 | T | 91.1 | Very high | 93.5 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 70% | 0.699 | 29% | 0.292 | S | S | * | . | trans | -84.6 | -14.9 | -172.9 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | M78 | M78-T81 VanDerWaalsContact O-CG2 3.31Å; M78-T81 WeakPolarHBondContact O-CG2 3.4Å | ||
| 82 | E | 89.6 | Confident | 93.5 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -69.1 | 142.8 | -179.2 | -56 | 127.2 | 157.7 | 0 | 0 | 110.7 | V84 Y85 K125 | E82-V84 HydrophobicContact CB-CG2 4.2Å; E82-V84 PolarHBondContact O-N 2.9Å; E82-V84 VanDerWaalsContact O-N 3.16Å; E82-Y85 HydrophobicContact CB-CD2 3.91Å; E82-Y85 HydrophobicContact CB-CE2 4.23Å; E82-Y85 PolarHBondContact O-N 3.3Å; E82-Y85 WeakPolarHBondContact OE2-CD2 3.26Å; E82-Y85 WeakPolarHBondContact OE2-CE2 3.47Å; E82-K125 VanDerWaalsContact CD-NZ 3.28Å; E82-K125 IonicContact OE1-NZ 2.74Å; E82-K125 PolarHBondContact OE1-NZ 2.81Å; E82-K125 IonicContact OE2-NZ 2.89Å; E82-K125 PolarHBondContact OE2-NZ 3.02Å |
| 83 | E | 88.3 | Confident | 93.5 | Very high | 175 Ų | 175 | 60.1 Ų | 60.1 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -59.4 | -32.4 | -171.9 | -174.4 | 173 | -172.6 | 0 | 0 | 113.6 | Y85 S86 | E83-Y85 PolarHBondContact O-N 3.05Å; E83-Y85 VanDerWaalsContact O-N 3.11Å; E83-S86 VanDerWaalsContact O-CB 3.3Å; E83-S86 WeakPolarHBondContact O-CB 3.34Å; E83-S86 PolarHBondContact O-N 3.22Å; E83-S86 PolarHBondContact O-OG 2.84Å |
| 84 | V | 91 | Very high | 93.4 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 47% | 0.473 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -61.5 | -17.3 | 176.3 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | E82 A123 W126 | E82-V84 HydrophobicContact CB-CG2 4.2Å; E82-V84 PolarHBondContact O-N 2.9Å; E82-V84 VanDerWaalsContact O-N 3.16Å; V84-A123 HydrophobicContact CB-CB 4.15Å; V84-A123 HydrophobicContact CG2-CB 4.28Å; V84-W126 PolarHBondContact O-NE1 3.12Å |
| 85 | Y | 95.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -106.1 | 21.3 | 177 | -54.9 | -61.5 | 0 | 0 | 0 | 113 | F80 E82 E83 L87 A123 P124 K125 W126 I129 | F80-Y85 HydrophobicContact CB-CD2 4.3Å; F80-Y85 HydrophobicContact CB-CG 4.16Å; E82-Y85 HydrophobicContact CB-CD2 3.91Å; E82-Y85 HydrophobicContact CB-CE2 4.23Å; E82-Y85 PolarHBondContact O-N 3.3Å; E82-Y85 WeakPolarHBondContact OE2-CD2 3.26Å; E82-Y85 WeakPolarHBondContact OE2-CE2 3.47Å; E83-Y85 PolarHBondContact O-N 3.05Å; E83-Y85 VanDerWaalsContact O-N 3.11Å; Y85-L87 PolarHBondContact O-N 3.15Å; Y85-A123 HydrophobicContact CE1-CB 3.78Å; Y85-A123 WeakPolarHBondContact OH-CA 3.05Å; Y85-P124 WeakPolarHBondContact OH-CD 3.4Å; Y85-K125 HydrophobicContact CD1-CB 4.25Å; Y85-K125 HydrophobicContact CE1-CB 3.58Å; Y85-K125 HydrophobicContact CE1-CG 4.37Å; Y85-K125 HydrophobicContact CE2-CB 4.07Å; Y85-K125 HydrophobicContact CE2-CD 3.8Å; Y85-K125 HydrophobicContact CE2-CG 4.16Å; Y85-K125 VanDerWaalsContact CZ-CB 3.48Å; Y85-K125 WeakPolarHBondContact OH-CG 3.29Å; Y85-K125 PolarHBondContact OH-N 3.35Å; Y85-W126 AromaticContact CD1-CD1 3.65Å; Y85-W126 HydrophobicContact CD1-CD2 4.22Å; Y85-W126 AromaticContact CD1-CE2 3.96Å; Y85-W126 HydrophobicContact CD1-CG 4.01Å; Y85-W126 AromaticContact CD1-NE1 3.58Å; Y85-W126 AromaticContact CE1-CD1 3.79Å; Y85-W126 HydrophobicContact CE1-CG 4.26Å; Y85-I129 HydrophobicContact CD1-CD1 4.03Å; Y85-I129 HydrophobicContact CG-CD1 4.27Å |
| 86 | S | 93.5 | Very high | 93.1 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | trans | -63.4 | 136.6 | -177.7 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | E83 A88 A89 L90 | E83-S86 VanDerWaalsContact O-CB 3.3Å; E83-S86 WeakPolarHBondContact O-CB 3.34Å; E83-S86 PolarHBondContact O-N 3.22Å; E83-S86 PolarHBondContact O-OG 2.84Å; S86-A88 PolarHBondContact O-N 3.2Å; S86-A89 WeakPolarHBondContact O-CB 3.43Å; S86-A89 PolarHBondContact O-N 2.88Å; S86-A89 VanDerWaalsContact O-N 3.16Å; S86-A89 PolarHBondContact OG-N 3.2Å; S86-L90 PolarHBondContact O-N 3.33Å | ||
| 87 | L | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -18.7 | 173.9 | -65.6 | -172.1 | 0 | 0 | 0 | 113.3 | V56 R57 I60 L73 I76 Q77 Y85 A89 L90 Q91 | V56-L87 HydrophobicContact CG1-CB 3.67Å; V56-L87 WeakPolarHBondContact CG1-O 3.32Å; R57-L87 HydrophobicContact CG-CD1 3.6Å; I60-L87 HydrophobicContact CD1-CB 4.3Å; L73-L87 HydrophobicContact CB-CD1 3.97Å; L73-L87 HydrophobicContact CD2-CD1 4.19Å; L73-L87 HydrophobicContact CD2-CD2 4.14Å; I76-L87 HydrophobicContact CG2-CD2 3.83Å; Q77-L87 HydrophobicContact CG-CD1 3.58Å; Q77-L87 HydrophobicContact CG-CG 3.83Å; Y85-L87 PolarHBondContact O-N 3.15Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-L90 HydrophobicContact CD2-CD2 3.99Å; L87-L90 PolarHBondContact O-N 3.33Å; L87-Q91 WeakPolarHBondContact O-CB 3.39Å; L87-Q91 PolarHBondContact O-N 3.19Å |
| 88 | A | 92.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | V56 S86 Q91 M92 | V56-A88 HydrophobicContact CG2-CB 4.45Å; S86-A88 PolarHBondContact O-N 3.2Å; A88-Q91 PolarHBondContact O-N 3.13Å; A88-M92 PolarHBondContact O-N 3.3Å |
| 89 | A | 92.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S86 L87 M92 K93 | S86-A89 WeakPolarHBondContact O-CB 3.43Å; S86-A89 PolarHBondContact O-N 2.88Å; S86-A89 VanDerWaalsContact O-N 3.16Å; S86-A89 PolarHBondContact OG-N 3.2Å; L87-A89 VanDerWaalsContact C-N 3.35Å; A89-M92 PolarHBondContact O-N 3.16Å; A89-K93 WeakPolarHBondContact O-CB 3.27Å; A89-K93 PolarHBondContact O-N 3.49Å |
| 90 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 174.1 | -178.5 | 61.2 | 0 | 0 | 0 | 112.1 | I60 L73 S86 L87 M92 K93 F94 L111 A114 A115 L118 W126 L133 | I60-L90 HydrophobicContact CD1-CD2 4.48Å; L73-L90 HydrophobicContact CD2-CD2 4.49Å; S86-L90 PolarHBondContact O-N 3.33Å; L87-L90 HydrophobicContact CD2-CD2 3.99Å; L87-L90 PolarHBondContact O-N 3.33Å; L90-M92 PolarHBondContact O-N 3.49Å; L90-K93 PolarHBondContact O-N 2.84Å; L90-F94 WeakPolarHBondContact O-CB 3.49Å; L90-F94 PolarHBondContact O-N 2.95Å; L90-L111 HydrophobicContact CD1-CD1 3.95Å; L90-L111 HydrophobicContact CD2-CD1 3.88Å; L90-L111 HydrophobicContact CG-CD1 3.79Å; L90-A114 HydrophobicContact CD1-CB 4.01Å; L90-A115 HydrophobicContact CD1-CB 3.82Å; L90-L118 HydrophobicContact CB-CD1 4.33Å; L90-L118 HydrophobicContact CD1-CD1 4.18Å; L90-W126 HydrophobicContact CB-CH2 3.79Å; L90-W126 HydrophobicContact CB-CZ3 4.06Å; L90-W126 HydrophobicContact CD1-CZ3 4.17Å; L90-W126 HydrophobicContact CD2-CZ3 4.28Å; L90-W126 HydrophobicContact CG-CZ3 4.4Å; L90-L133 HydrophobicContact CD2-CD1 4.1Å |
| 91 | Q | 94.9 | Very high | 91.3 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 178.1 | -179.5 | -174.6 | -11.6 | 0 | 0 | 110.9 | V56 I60 L87 A88 K93 F94 E95 | V56-Q91 HydrophobicContact CG1-CB 4.3Å; I60-Q91 HydrophobicContact CD1-CB 4.03Å; I60-Q91 HydrophobicContact CG1-CB 3.92Å; I60-Q91 HydrophobicContact CG1-CG 4.16Å; L87-Q91 WeakPolarHBondContact O-CB 3.39Å; L87-Q91 PolarHBondContact O-N 3.19Å; A88-Q91 PolarHBondContact O-N 3.13Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.28Å; Q91-F94 PolarHBondContact O-N 3.47Å; Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 VanDerWaalsContact CG-OE1 3.32Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.19Å; Q91-E95 PolarHBondContact NE2-OE1 3.1Å; Q91-E95 WeakPolarHBondContact O-CG 3.28Å; Q91-E95 PolarHBondContact O-N 3Å |
| 92 | M | 92.3 | Very high | 91.3 | Very high | 142 Ų | 142 | 68.7 Ų | 68.7 | 70% | 0.7 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | -178.5 | -174.4 | -178.1 | -66.2 | 0 | 0 | 111.9 | A88 A89 L90 S96 | A88-M92 PolarHBondContact O-N 3.3Å; A89-M92 PolarHBondContact O-N 3.16Å; L90-M92 PolarHBondContact O-N 3.49Å; M92-S96 PolarHBondContact O-N 3.13Å |
| 93 | K | 93.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 68 Ų | 68 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 176.9 | -170.6 | 68.7 | 173.7 | 178.2 | 0 | 111.3 | A89 L90 Q91 S96 F97 A114 E117 L118 | A89-K93 WeakPolarHBondContact O-CB 3.27Å; A89-K93 PolarHBondContact O-N 3.49Å; L90-K93 PolarHBondContact O-N 2.84Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.28Å; K93-S96 WeakPolarHBondContact O-CB 3.43Å; K93-S96 PolarHBondContact O-N 3.35Å; K93-S96 PolarHBondContact O-OG 3.21Å; K93-F97 HydrophobicContact CD-CE2 4.33Å; K93-F97 HydrophobicContact CG-CE2 4.13Å; K93-F97 VanDerWaalsContact O-CD2 3.23Å; K93-F97 WeakPolarHBondContact O-CD2 3.42Å; K93-A114 HydrophobicContact CB-CB 4.15Å; K93-A114 HydrophobicContact CG-CB 3.85Å; K93-E117 WeakPolarHBondContact CE-OE2 3.42Å; K93-E117 IonicContact NZ-OE2 3.88Å; K93-E117 PolarHBondContact NZ-OE2 2.85Å; K93-L118 HydrophobicContact CB-CD1 4.32Å; K93-L118 HydrophobicContact CB-CD2 4.44Å; K93-L118 HydrophobicContact CB-CG 4.44Å; K93-L118 HydrophobicContact CG-CD2 4.44Å; K93-L118 HydrophobicContact CG-CG 4.29Å |
| 94 | F | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.7 | 173.1 | -137.1 | 0 | 0 | 0 | 112.3 | I60 T63 V64 L90 Q91 S96 F97 C98 R107 A110 L111 A114 | I60-F94 HydrophobicContact CG2-CD1 4.43Å; T63-F94 HydrophobicContact CG2-CD1 4.41Å; T63-F94 HydrophobicContact CG2-CE1 3.6Å; T63-F94 HydrophobicContact CG2-CZ 4Å; V64-F94 HydrophobicContact CG2-CE1 3.79Å; V64-F94 HydrophobicContact CG2-CZ 3.64Å; L90-F94 WeakPolarHBondContact O-CB 3.49Å; L90-F94 PolarHBondContact O-N 2.95Å; Q91-F94 PolarHBondContact O-N 3.47Å; F94-S96 PolarHBondContact O-N 3.25Å; F94-S96 VanDerWaalsContact O-N 3.15Å; F94-F97 WeakPolarHBondContact O-CB 3.28Å; F94-F97 PolarHBondContact O-N 2.86Å; F94-C98 WeakPolarHBondContact CE2-SG 3.36Å; F94-C98 PolarHBondContact O-N 3.02Å; F94-C98 PolarHBondContact O-SG 2.66Å; F94-C98 VanDerWaalsContact O-SG 3.4Å; F94-R107 WeakPolarHBondContact CE2-O 3.25Å; F94-R107 HydrophobicContact CZ-CB 4.25Å; F94-A110 HydrophobicContact CD2-CB 4.26Å; F94-A110 HydrophobicContact CE2-CB 3.97Å; F94-L111 HydrophobicContact CB-CD1 3.86Å; F94-L111 HydrophobicContact CD1-CB 4.48Å; F94-L111 HydrophobicContact CD1-CD1 3.77Å; F94-L111 VanDerWaalsContact CD2-CA 3.44Å; F94-L111 HydrophobicContact CD2-CB 3.77Å; F94-L111 HydrophobicContact CD2-CD1 4.16Å; F94-L111 HydrophobicContact CE1-CB 4.43Å; F94-L111 HydrophobicContact CE1-CD1 4.33Å; F94-L111 HydrophobicContact CE2-CB 3.74Å; F94-L111 HydrophobicContact CG-CB 4.16Å; F94-L111 HydrophobicContact CG-CD1 3.66Å; F94-L111 HydrophobicContact CZ-CB 4.08Å; F94-A114 HydrophobicContact CB-CB 4.06Å |
| 95 | E | 91.7 | Very high | 91.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.2 | -32.4 | 176.4 | -74.5 | 170.9 | -178.6 | 0 | 0 | 111.9 | Q91 F97 C98 | Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 VanDerWaalsContact CG-OE1 3.32Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.19Å; Q91-E95 PolarHBondContact NE2-OE1 3.1Å; Q91-E95 WeakPolarHBondContact O-CG 3.28Å; Q91-E95 PolarHBondContact O-N 3Å; E95-F97 VanDerWaalsContact C-N 3.28Å; E95-F97 PolarHBondContact O-N 3.18Å; E95-C98 PolarHBondContact O-N 3.34Å |
| 96 | S | 90.2 | Very high | 91 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.3 | -22.2 | 175.4 | 82.4 | 0 | 0 | 0 | 0 | 114.5 | M92 K93 F94 | M92-S96 PolarHBondContact O-N 3.13Å; K93-S96 WeakPolarHBondContact O-CB 3.43Å; K93-S96 PolarHBondContact O-N 3.35Å; K93-S96 PolarHBondContact O-OG 3.21Å; F94-S96 PolarHBondContact O-N 3.25Å; F94-S96 VanDerWaalsContact O-N 3.15Å |
| 97 | F | 88.6 | Confident | 91.1 | Very high | 47 Ų | 47 | 69 Ų | 69 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -89.7 | -20.9 | 173.6 | -72.1 | -72.9 | 0 | 0 | 0 | 113.2 | K93 F94 E95 A110 K113 A114 E117 | K93-F97 HydrophobicContact CD-CE2 4.33Å; K93-F97 HydrophobicContact CG-CE2 4.13Å; K93-F97 VanDerWaalsContact O-CD2 3.23Å; K93-F97 WeakPolarHBondContact O-CD2 3.42Å; F94-F97 WeakPolarHBondContact O-CB 3.28Å; F94-F97 PolarHBondContact O-N 2.86Å; E95-F97 VanDerWaalsContact C-N 3.28Å; E95-F97 PolarHBondContact O-N 3.18Å; F97-A110 HydrophobicContact CB-CB 3.82Å; F97-K113 HydrophobicContact CE1-CD 4.13Å; F97-K113 HydrophobicContact CZ-CG 4.49Å; F97-A114 HydrophobicContact CD2-CB 3.94Å; F97-A114 HydrophobicContact CE2-CB 4.09Å; F97-E117 VanDerWaalsContact CZ-CD 3.45Å; F97-E117 VanDerWaalsContact CZ-OE1 3.25Å; F97-E117 WeakPolarHBondContact CZ-OE1 3.48Å; F97-E117 WeakPolarHBondContact CZ-OE2 3.33Å |
| 98 | C | 88.2 | Confident | 91.1 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | trans | -68 | 134.2 | -177.9 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | F94 E95 | F94-C98 WeakPolarHBondContact CE2-SG 3.36Å; F94-C98 PolarHBondContact O-N 3.02Å; F94-C98 PolarHBondContact O-SG 2.66Å; F94-C98 VanDerWaalsContact O-SG 3.4Å; E95-C98 PolarHBondContact O-N 3.34Å | ||
| 99 | R | 87.5 | Confident | 91.1 | Very high | 195 Ų | 195 | 72.4 Ų | 72.4 | 74% | 0.736 | 39% | 0.39 | S | S | * | . | trans | -130.4 | 149.5 | 175.5 | -62.2 | -178.3 | -178 | -171.7 | -0.3 | 109.9 | G101 M102 | R99-G101 PolarHBondContact O-N 3.35Å; R99-M102 HydrophobicContact CB-CG 4.22Å; R99-M102 HydrophobicContact CB-SD 4.02Å; R99-M102 PolarHBondContact N-SD 3.31Å; R99-M102 WeakPolarHBondContact O-CG 3.27Å; R99-M102 PolarHBondContact O-N 3.41Å | ||
| 100 | P | 84.3 | Confident | 91.2 | Very high | 138 Ų | 138 | 71.2 Ų | 71.2 | 90% | 0.896 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 136 | 173.3 | -22.2 | 32.9 | 0 | 0 | 0 | 111.3 | ||
| 101 | G | 86.2 | Confident | 91.2 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 83% | 0.825 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -0.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | R99 | R99-G101 PolarHBondContact O-N 3.35Š|
| 102 | M | 90.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | trans | -60.9 | 146.6 | 174.6 | -71.4 | 173.2 | 73.2 | 0 | 0 | 111.7 | R99 E106 R107 A110 | R99-M102 HydrophobicContact CB-CG 4.22Å; R99-M102 HydrophobicContact CB-SD 4.02Å; R99-M102 PolarHBondContact N-SD 3.31Å; R99-M102 WeakPolarHBondContact O-CG 3.27Å; R99-M102 PolarHBondContact O-N 3.41Å; M102-E106 WeakPolarHBondContact CA-OE2 3.22Å; M102-E106 HydrophobicContact CB-CB 4.11Å; M102-E106 VanDerWaalsContact CE-C 3.41Å; M102-E106 HydrophobicContact CE-CB 3.77Å; M102-E106 WeakPolarHBondContact CE-O 3.29Å; M102-E106 HydrophobicContact CG-CB 4.39Å; M102-R107 HydrophobicContact CB-CG 3.81Å; M102-R107 HydrophobicContact CE-CG 4.08Å; M102-R107 PolarHBondContact O-NH1 3.3Å; M102-R107 HydrophobicContact SD-CG 4.38Å; M102-A110 HydrophobicContact CE-CB 3.83Å | ||
| 103 | T | 90.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -75.1 | 169.3 | 168.9 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | D105 E106 R107 | T103-D105 VanDerWaalsContact C-N 3.31Å; T103-E106 PolarHBondContact N-OE2 2.99Å; T103-E106 PolarHBondContact O-N 3.04Å; T103-E106 WeakPolarHBondContact OG1-CG 3.36Å; T103-E106 PolarHBondContact OG1-N 3.13Å; T103-E106 VanDerWaalsContact OG1-N 3.13Å; T103-R107 WeakPolarHBondContact O-CG 3.4Å; T103-R107 PolarHBondContact O-N 2.81Å; T103-R107 VanDerWaalsContact O-N 3.08Å | ||
| 104 | E | 88.7 | Confident | 91.4 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 173.1 | -173.7 | 175.4 | 165.3 | 0 | 0 | 111.7 | R107 A108 | E104-R107 PolarHBondContact O-N 3.07Å; E104-A108 WeakPolarHBondContact O-CB 3.3Å; E104-A108 PolarHBondContact O-N 2.88Å |
| 105 | D | 88.1 | Confident | 91.4 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 176.2 | -74 | -34.4 | 0 | 0 | 0 | 112.1 | T103 R107 A108 E109 | T103-D105 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.03Å; D105-A108 PolarHBondContact O-N 3.31Å; D105-A108 VanDerWaalsContact O-N 3.17Å; D105-E109 WeakPolarHBondContact O-CG 3.35Å; D105-E109 PolarHBondContact O-N 3.06Å |
| 106 | E | 92.1 | Very high | 91.6 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 178.2 | -73.3 | 173.8 | 149.4 | 0 | 0 | 111.4 | M102 T103 A110 | M102-E106 WeakPolarHBondContact CA-OE2 3.22Å; M102-E106 HydrophobicContact CB-CB 4.11Å; M102-E106 VanDerWaalsContact CE-C 3.41Å; M102-E106 HydrophobicContact CE-CB 3.77Å; M102-E106 WeakPolarHBondContact CE-O 3.29Å; M102-E106 HydrophobicContact CG-CB 4.39Å; T103-E106 PolarHBondContact N-OE2 2.99Å; T103-E106 PolarHBondContact O-N 3.04Å; T103-E106 WeakPolarHBondContact OG1-CG 3.36Å; T103-E106 PolarHBondContact OG1-N 3.13Å; T103-E106 VanDerWaalsContact OG1-N 3.13Å; E106-A110 VanDerWaalsContact O-CB 3.27Å; E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.44Å |
| 107 | R | 94.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.8 | -38.7 | 175.8 | -70.6 | -171.5 | -58.1 | -97 | -2.3 | 111.9 | T63 V64 F94 M102 T103 E104 D105 A110 L111 | T63-R107 WeakPolarHBondContact O-CD 3.44Å; T63-R107 PolarHBondContact O-NE 3.18Å; V64-R107 VanDerWaalsContact O-CZ 3.3Å; V64-R107 PolarHBondContact O-NE 3.24Å; V64-R107 PolarHBondContact O-NH2 3.06Å; F94-R107 WeakPolarHBondContact CE2-O 3.25Å; F94-R107 HydrophobicContact CZ-CB 4.25Å; M102-R107 HydrophobicContact CB-CG 3.81Å; M102-R107 HydrophobicContact CE-CG 4.08Å; M102-R107 PolarHBondContact O-NH1 3.3Å; M102-R107 HydrophobicContact SD-CG 4.38Å; T103-R107 WeakPolarHBondContact O-CG 3.4Å; T103-R107 PolarHBondContact O-N 2.81Å; T103-R107 VanDerWaalsContact O-N 3.08Å; E104-R107 PolarHBondContact O-N 3.07Å; D105-R107 PolarHBondContact O-N 3.03Å; R107-A110 PolarHBondContact O-N 3.31Å; R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 PolarHBondContact O-N 2.76Å |
| 108 | A | 93.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 61 Ų | 61 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V64 E104 D105 L111 T112 S137 | V64-A108 HydrophobicContact CG1-CB 4.17Å; E104-A108 WeakPolarHBondContact O-CB 3.3Å; E104-A108 PolarHBondContact O-N 2.88Å; D105-A108 PolarHBondContact O-N 3.31Å; D105-A108 VanDerWaalsContact O-N 3.17Å; A108-L111 PolarHBondContact O-N 2.73Å; A108-T112 PolarHBondContact O-N 3.3Å; A108-T112 PolarHBondContact O-OG1 2.63Å; A108-S137 WeakPolarHBondContact CB-OG 3.25Å |
| 109 | E | 93.1 | Very high | 92.2 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 172.7 | -72.8 | -175.8 | 178.8 | 0 | 0 | 111.6 | D105 T112 K113 | D105-E109 WeakPolarHBondContact O-CG 3.35Å; D105-E109 PolarHBondContact O-N 3.06Å; E109-T112 PolarHBondContact O-N 2.79Å; E109-K113 WeakPolarHBondContact O-CB 3.43Å; E109-K113 PolarHBondContact O-N 3.34Å |
| 110 | A | 94 | Very high | 92.4 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F94 F97 M102 E106 R107 K113 A114 | F94-A110 HydrophobicContact CD2-CB 4.26Å; F94-A110 HydrophobicContact CE2-CB 3.97Å; F97-A110 HydrophobicContact CB-CB 3.82Å; M102-A110 HydrophobicContact CE-CB 3.83Å; E106-A110 VanDerWaalsContact O-CB 3.27Å; E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.44Å; R107-A110 PolarHBondContact O-N 3.31Å; A110-K113 PolarHBondContact O-N 2.97Å; A110-A114 WeakPolarHBondContact O-CB 3.26Å; A110-A114 PolarHBondContact O-N 3.04Å |
| 111 | L | 97.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.9 | 177.3 | 63.6 | 0 | 0 | 0 | 111.3 | I60 V64 L69 L90 F94 R107 A108 K113 A114 A115 L133 | I60-L111 HydrophobicContact CG2-CD1 3.83Å; I60-L111 HydrophobicContact CG2-CD2 3.71Å; I60-L111 HydrophobicContact CG2-CG 4.45Å; V64-L111 HydrophobicContact CG2-CB 4.33Å; V64-L111 HydrophobicContact CG2-CD2 3.77Å; L69-L111 HydrophobicContact CD2-CD2 3.6Å; L90-L111 HydrophobicContact CD1-CD1 3.95Å; L90-L111 HydrophobicContact CD2-CD1 3.88Å; L90-L111 HydrophobicContact CG-CD1 3.79Å; F94-L111 HydrophobicContact CB-CD1 3.86Å; F94-L111 HydrophobicContact CD1-CB 4.48Å; F94-L111 HydrophobicContact CD1-CD1 3.77Å; F94-L111 VanDerWaalsContact CD2-CA 3.44Å; F94-L111 HydrophobicContact CD2-CB 3.77Å; F94-L111 HydrophobicContact CD2-CD1 4.16Å; F94-L111 HydrophobicContact CE1-CB 4.43Å; F94-L111 HydrophobicContact CE1-CD1 4.33Å; F94-L111 HydrophobicContact CE2-CB 3.74Å; F94-L111 HydrophobicContact CG-CB 4.16Å; F94-L111 HydrophobicContact CG-CD1 3.66Å; F94-L111 HydrophobicContact CZ-CB 4.08Å; R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 PolarHBondContact O-N 2.76Å; A108-L111 PolarHBondContact O-N 2.73Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.19Å; L111-A114 WeakPolarHBondContact O-CB 3.08Å; L111-A114 PolarHBondContact O-N 3.41Å; L111-A115 PolarHBondContact O-N 3.01Å; L111-A115 VanDerWaalsContact O-N 3.16Å; L111-L133 HydrophobicContact CD2-CD2 3.99Å; L111-L133 HydrophobicContact CG-CD1 4.18Å; L111-L133 HydrophobicContact CG-CD2 4.42Å |
| 112 | T | 95.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.9 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | A108 E109 A114 A115 V116 L134 Y197 | A108-T112 PolarHBondContact O-N 3.3Å; A108-T112 PolarHBondContact O-OG1 2.63Å; E109-T112 PolarHBondContact O-N 2.79Å; T112-A114 VanDerWaalsContact C-N 3.32Å; T112-A114 PolarHBondContact O-N 3.36Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 3.11Å; T112-A115 VanDerWaalsContact O-N 3.16Å; T112-V116 WeakPolarHBondContact O-CG2 3.23Å; T112-V116 PolarHBondContact O-N 3.17Å; T112-L134 HydrophobicContact CG2-CB 3.92Å; T112-Y197 HydrophobicContact CG2-CD2 4.06Å; T112-Y197 HydrophobicContact CG2-CE2 3.48Å; T112-Y197 VanDerWaalsContact CG2-CE2 3.48Å |
| 113 | K | 93 | Very high | 92.9 | Very high | 108 Ų | 108 | 47.9 Ų | 47.9 | 47% | 0.47 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 177.1 | -174.5 | 175.9 | 179.4 | 179.7 | 0 | 112.5 | F97 E109 A110 L111 A115 V116 E117 | F97-K113 HydrophobicContact CE1-CD 4.13Å; F97-K113 HydrophobicContact CZ-CG 4.49Å; E109-K113 WeakPolarHBondContact O-CB 3.43Å; E109-K113 PolarHBondContact O-N 3.34Å; A110-K113 PolarHBondContact O-N 2.97Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.19Å; K113-A115 VanDerWaalsContact C-N 3.33Å; K113-A115 PolarHBondContact O-N 3.11Å; K113-V116 WeakPolarHBondContact O-CB 3.28Å; K113-V116 PolarHBondContact O-N 3.31Å; K113-E117 WeakPolarHBondContact CE-OE1 3.48Å; K113-E117 PolarHBondContact O-N 3.13Å |
| 114 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L90 K93 F94 F97 A110 L111 T112 E117 L118 | L90-A114 HydrophobicContact CD1-CB 4.01Å; K93-A114 HydrophobicContact CB-CB 4.15Å; K93-A114 HydrophobicContact CG-CB 3.85Å; F94-A114 HydrophobicContact CB-CB 4.06Å; F97-A114 HydrophobicContact CD2-CB 3.94Å; F97-A114 HydrophobicContact CE2-CB 4.09Å; A110-A114 WeakPolarHBondContact O-CB 3.26Å; A110-A114 PolarHBondContact O-N 3.04Å; L111-A114 WeakPolarHBondContact O-CB 3.08Å; L111-A114 PolarHBondContact O-N 3.41Å; T112-A114 VanDerWaalsContact C-N 3.32Å; T112-A114 PolarHBondContact O-N 3.36Å; A114-E117 PolarHBondContact O-N 2.98Å; A114-L118 WeakPolarHBondContact O-CG 3.34Å; A114-L118 PolarHBondContact O-N 3.44Å |
| 115 | A | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L90 L111 T112 K113 E117 L118 T119 W126 A130 L133 | L90-A115 HydrophobicContact CD1-CB 3.82Å; L111-A115 PolarHBondContact O-N 3.01Å; L111-A115 VanDerWaalsContact O-N 3.16Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 3.11Å; T112-A115 VanDerWaalsContact O-N 3.16Å; K113-A115 VanDerWaalsContact C-N 3.33Å; K113-A115 PolarHBondContact O-N 3.11Å; A115-E117 PolarHBondContact O-N 2.83Å; A115-L118 PolarHBondContact O-N 3.28Å; A115-T119 PolarHBondContact O-N 3.45Å; A115-T119 PolarHBondContact O-OG1 3.39Å; A115-W126 HydrophobicContact CB-CE3 4Å; A115-W126 HydrophobicContact CB-CZ3 4.29Å; A115-A130 HydrophobicContact CB-CB 3.82Å; A115-L133 HydrophobicContact CB-CD1 3.71Å |
| 116 | V | 94.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | 175.4 | 176 | 0 | 0 | 0 | 0 | 111 | T112 K113 L118 T119 A130 Y197 P713 | T112-V116 WeakPolarHBondContact O-CG2 3.23Å; T112-V116 PolarHBondContact O-N 3.17Å; K113-V116 WeakPolarHBondContact O-CB 3.28Å; K113-V116 PolarHBondContact O-N 3.31Å; V116-L118 PolarHBondContact O-N 2.96Å; V116-T119 WeakPolarHBondContact O-CB 3.37Å; V116-T119 PolarHBondContact O-N 2.91Å; V116-T119 PolarHBondContact O-OG1 3.44Å; V116-A130 HydrophobicContact CG2-CB 3.69Å; V116-Y197 HydrophobicContact CG1-CD1 4.34Å; V116-Y197 HydrophobicContact CG1-CE1 4.23Å; V116-Y197 HydrophobicContact CG2-CD1 3.51Å; V116-Y197 HydrophobicContact CG2-CD2 3.88Å; V116-Y197 HydrophobicContact CG2-CE1 3.44Å; V116-Y197 VanDerWaalsContact CG2-CE1 3.44Å; V116-Y197 HydrophobicContact CG2-CE2 3.82Å; V116-Y197 HydrophobicContact CG2-CG 3.73Å; V116-P713 HydrophobicContact CG1-CG 3.65Å |
| 117 | E | 91.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 35.9 Ų | 35.9 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.9 | -17.4 | 179.1 | -75.3 | -168 | -160.8 | 0 | 0 | 114.3 | K93 F97 K113 A114 A115 T119 | K93-E117 WeakPolarHBondContact CE-OE2 3.42Å; K93-E117 IonicContact NZ-OE2 3.88Å; K93-E117 PolarHBondContact NZ-OE2 2.85Å; F97-E117 VanDerWaalsContact CZ-CD 3.45Å; F97-E117 VanDerWaalsContact CZ-OE1 3.25Å; F97-E117 WeakPolarHBondContact CZ-OE1 3.48Å; F97-E117 WeakPolarHBondContact CZ-OE2 3.33Å; K113-E117 WeakPolarHBondContact CE-OE1 3.48Å; K113-E117 PolarHBondContact O-N 3.13Å; A114-E117 PolarHBondContact O-N 2.98Å; A115-E117 PolarHBondContact O-N 2.83Å; E117-T119 VanDerWaalsContact C-N 3.26Å |
| 118 | L | 94.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.3 | 170.9 | -69.6 | 169.7 | 0 | 0 | 0 | 112.7 | L90 K93 A114 A115 V116 T120 W126 | L90-L118 HydrophobicContact CB-CD1 4.33Å; L90-L118 HydrophobicContact CD1-CD1 4.18Å; K93-L118 HydrophobicContact CB-CD1 4.32Å; K93-L118 HydrophobicContact CB-CD2 4.44Å; K93-L118 HydrophobicContact CB-CG 4.44Å; K93-L118 HydrophobicContact CG-CD2 4.44Å; K93-L118 HydrophobicContact CG-CG 4.29Å; A114-L118 WeakPolarHBondContact O-CG 3.34Å; A114-L118 PolarHBondContact O-N 3.44Å; A115-L118 PolarHBondContact O-N 3.28Å; V116-L118 PolarHBondContact O-N 2.96Å; L118-T120 PolarHBondContact O-N 2.81Å; L118-W126 HydrophobicContact CB-CB 4.43Å; L118-W126 HydrophobicContact CB-CD2 3.65Å; L118-W126 HydrophobicContact CB-CE3 4.21Å; L118-W126 HydrophobicContact CB-CG 3.72Å; L118-W126 HydrophobicContact CB-CZ2 4.44Å; L118-W126 HydrophobicContact CD1-CD2 4.18Å; L118-W126 HydrophobicContact CD1-CE3 4.17Å; L118-W126 HydrophobicContact CD1-CH2 3.81Å; L118-W126 HydrophobicContact CD1-CZ2 3.74Å; L118-W126 HydrophobicContact CD1-CZ3 3.99Å |
| 119 | T | 94.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | trans | -70.2 | 118.2 | 177.7 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | A115 V116 E117 W126 E127 F702 P713 V715 | A115-T119 PolarHBondContact O-N 3.45Å; A115-T119 PolarHBondContact O-OG1 3.39Å; V116-T119 WeakPolarHBondContact O-CB 3.37Å; V116-T119 PolarHBondContact O-N 2.91Å; V116-T119 PolarHBondContact O-OG1 3.44Å; E117-T119 VanDerWaalsContact C-N 3.26Å; T119-W126 WeakPolarHBondContact OG1-CB 3Å; T119-E127 HydrophobicContact CG2-CB 4.11Å; T119-E127 PolarHBondContact OG1-N 2.85Å; T119-F702 HydrophobicContact CG2-CE2 4.42Å; T119-F702 WeakPolarHBondContact O-CE2 3.02Å; T119-F702 WeakPolarHBondContact O-CZ 3.26Å; T119-P713 HydrophobicContact CG2-CB 3.96Å; T119-P713 HydrophobicContact CG2-CG 4.12Å; T119-V715 HydrophobicContact CG2-CG2 3.75Å | ||
| 120 | T | 91.5 | Very high | 94.6 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 31% | 0.313 | 15% | 0.147 | S | C | . | . | trans | -134 | 174.9 | 179 | 57.3 | 0 | 0 | 0 | 0 | 110 | L118 E122 A123 P124 | L118-T120 PolarHBondContact O-N 2.81Å; T120-E122 VanDerWaalsContact C-N 3.26Å; T120-E122 PolarHBondContact O-N 2.92Å; T120-A123 CarbonylContact O-C 3.55Å; T120-A123 WeakPolarHBondContact OG1-CB 2.96Å; T120-A123 PolarHBondContact OG1-N 3.43Å; T120-P124 VanDerWaalsContact O-CA 3.31Å; T120-P124 WeakPolarHBondContact O-CA 3.08Å | ||
| 121 | A | 88.6 | Confident | 94.7 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -67.5 | -30.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F702 L719 W724 | A121-F702 HydrophobicContact CB-CB 3.78Å; A121-F702 HydrophobicContact CB-CG 4.26Å; A121-L719 HydrophobicContact CB-CD2 4.46Å; A121-W724 HydrophobicContact CB-CH2 3.91Å; A121-W724 HydrophobicContact CB-CZ3 3.87Å |
| 122 | E | 89.2 | Confident | 94.8 | Very high | 133 Ų | 133 | 30.4 Ų | 30.4 | 62% | 0.621 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -84.6 | -27.5 | 179.9 | -60.9 | 72.6 | -160 | 0 | 0 | 112.5 | T120 P124 | T120-E122 VanDerWaalsContact C-N 3.26Å; T120-E122 PolarHBondContact O-N 2.92Å; E122-P124 WeakPolarHBondContact O-CD 3.04Å |
| 123 | A | 93.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -124.4 | 60.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V84 Y85 T120 K125 W126 | V84-A123 HydrophobicContact CB-CB 4.15Å; V84-A123 HydrophobicContact CG2-CB 4.28Å; Y85-A123 HydrophobicContact CE1-CB 3.78Å; Y85-A123 WeakPolarHBondContact OH-CA 3.05Å; T120-A123 CarbonylContact O-C 3.55Å; T120-A123 WeakPolarHBondContact OG1-CB 2.96Å; T120-A123 PolarHBondContact OG1-N 3.43Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.48Å; A123-W126 PolarHBondContact O-N 3.22Å |
| 124 | P | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.3 | -172.7 | 25.3 | -33.9 | 0 | 0 | 0 | 113.4 | Y85 T120 E122 W126 E127 V715 L719 | Y85-P124 WeakPolarHBondContact OH-CD 3.4Å; T120-P124 VanDerWaalsContact O-CA 3.31Å; T120-P124 WeakPolarHBondContact O-CA 3.08Å; E122-P124 WeakPolarHBondContact O-CD 3.04Å; P124-W126 PolarHBondContact O-N 2.81Å; P124-E127 WeakPolarHBondContact O-CG 3.34Å; P124-E127 PolarHBondContact O-N 3.33Å; P124-E127 VanDerWaalsContact O-N 3.07Å; P124-V715 HydrophobicContact CB-CB 4.31Å; P124-V715 HydrophobicContact CB-CG1 3.43Å; P124-V715 VanDerWaalsContact CB-CG1 3.43Å; P124-V715 HydrophobicContact CB-CG2 4.16Å; P124-L719 HydrophobicContact CB-CB 4.43Å; P124-L719 HydrophobicContact CG-CB 4.3Å; P124-L719 WeakPolarHBondContact CG-O 3.22Å |
| 125 | K | 96.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 27 Ų | 27 | 30% | 0.3 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.7 | -175.5 | -54.2 | 177 | -169.7 | 165.4 | 0 | 114.1 | F80 E82 Y85 A123 E127 F128 I129 | F80-K125 HydrophobicContact CD1-CB 3.82Å; F80-K125 HydrophobicContact CD1-CD 3.84Å; F80-K125 HydrophobicContact CD1-CG 4.46Å; F80-K125 HydrophobicContact CE1-CB 3.7Å; F80-K125 HydrophobicContact CE1-CD 3.99Å; F80-K125 HydrophobicContact CE1-CG 4.33Å; E82-K125 VanDerWaalsContact CD-NZ 3.28Å; E82-K125 IonicContact OE1-NZ 2.74Å; E82-K125 PolarHBondContact OE1-NZ 2.81Å; E82-K125 IonicContact OE2-NZ 2.89Å; E82-K125 PolarHBondContact OE2-NZ 3.02Å; Y85-K125 HydrophobicContact CD1-CB 4.25Å; Y85-K125 HydrophobicContact CE1-CB 3.58Å; Y85-K125 HydrophobicContact CE1-CG 4.37Å; Y85-K125 HydrophobicContact CE2-CB 4.07Å; Y85-K125 HydrophobicContact CE2-CD 3.8Å; Y85-K125 HydrophobicContact CE2-CG 4.16Å; Y85-K125 VanDerWaalsContact CZ-CB 3.48Å; Y85-K125 WeakPolarHBondContact OH-CG 3.29Å; Y85-K125 PolarHBondContact OH-N 3.35Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.48Å; K125-E127 PolarHBondContact O-N 2.91Å; K125-F128 HydrophobicContact CB-CD2 4.47Å; K125-F128 PolarHBondContact O-N 3.01Å; K125-I129 PolarHBondContact O-N 3.42Å |
| 126 | W | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -26.2 | 168.6 | -83.7 | 114.5 | 0 | 0 | 0 | 112.5 | V84 Y85 L90 A115 L118 T119 A123 P124 F128 I129 A130 | V84-W126 PolarHBondContact O-NE1 3.12Å; Y85-W126 AromaticContact CD1-CD1 3.65Å; Y85-W126 HydrophobicContact CD1-CD2 4.22Å; Y85-W126 AromaticContact CD1-CE2 3.96Å; Y85-W126 HydrophobicContact CD1-CG 4.01Å; Y85-W126 AromaticContact CD1-NE1 3.58Å; Y85-W126 AromaticContact CE1-CD1 3.79Å; Y85-W126 HydrophobicContact CE1-CG 4.26Å; L90-W126 HydrophobicContact CB-CH2 3.79Å; L90-W126 HydrophobicContact CB-CZ3 4.06Å; L90-W126 HydrophobicContact CD1-CZ3 4.17Å; L90-W126 HydrophobicContact CD2-CZ3 4.28Å; L90-W126 HydrophobicContact CG-CZ3 4.4Å; A115-W126 HydrophobicContact CB-CE3 4Å; A115-W126 HydrophobicContact CB-CZ3 4.29Å; L118-W126 HydrophobicContact CB-CB 4.43Å; L118-W126 HydrophobicContact CB-CD2 3.65Å; L118-W126 HydrophobicContact CB-CE3 4.21Å; L118-W126 HydrophobicContact CB-CG 3.72Å; L118-W126 HydrophobicContact CB-CZ2 4.44Å; L118-W126 HydrophobicContact CD1-CD2 4.18Å; L118-W126 HydrophobicContact CD1-CE3 4.17Å; L118-W126 HydrophobicContact CD1-CH2 3.81Å; L118-W126 HydrophobicContact CD1-CZ2 3.74Å; L118-W126 HydrophobicContact CD1-CZ3 3.99Å; T119-W126 WeakPolarHBondContact OG1-CB 3Å; A123-W126 PolarHBondContact O-N 3.22Å; P124-W126 PolarHBondContact O-N 2.81Å; W126-F128 VanDerWaalsContact C-N 3.3Å; W126-F128 PolarHBondContact O-N 3.45Å; W126-I129 HydrophobicContact CD2-CD1 4.05Å; W126-I129 HydrophobicContact CE3-CB 3.86Å; W126-I129 HydrophobicContact CE3-CD1 3.69Å; W126-I129 HydrophobicContact CE3-CG1 4.36Å; W126-I129 HydrophobicContact CE3-CG2 3.78Å; W126-I129 HydrophobicContact CH2-CD1 4.34Å; W126-I129 HydrophobicContact CZ3-CB 4.22Å; W126-I129 HydrophobicContact CZ3-CD1 3.86Å; W126-I129 HydrophobicContact CZ3-CG2 3.65Å; W126-I129 PolarHBondContact O-N 3.33Å; W126-A130 VanDerWaalsContact O-CB 3.3Å; W126-A130 WeakPolarHBondContact O-CB 3.35Å; W126-A130 PolarHBondContact O-N 3.45Å |
| 127 | E | 95.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -33.7 | 175.1 | 77.9 | -176.4 | 144.6 | 0 | 0 | 112.9 | T119 P124 K125 A131 T196 Y197 | T119-E127 HydrophobicContact CG2-CB 4.11Å; T119-E127 PolarHBondContact OG1-N 2.85Å; P124-E127 WeakPolarHBondContact O-CG 3.34Å; P124-E127 PolarHBondContact O-N 3.33Å; P124-E127 VanDerWaalsContact O-N 3.07Å; K125-E127 PolarHBondContact O-N 2.91Å; E127-A131 PolarHBondContact O-N 3.4Å; E127-A131 VanDerWaalsContact O-N 3.09Å; E127-T196 HydrophobicContact CG-CG2 3.96Å; E127-T196 WeakPolarHBondContact OE2-CG2 3.46Å; E127-Y197 VanDerWaalsContact O-CB 3.29Å; E127-Y197 WeakPolarHBondContact O-CB 3.27Å; E127-Y197 PolarHBondContact O-N 2.61Å |
| 128 | F | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 24.6 Ų | 24.6 | 24% | 0.241 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.9 | -37.2 | 175.6 | -63.5 | -85.4 | 0 | 0 | 0 | 110.9 | F80 K125 W126 A130 A131 R132 F195 T196 | F80-F128 HydrophobicContact CE1-CB 4.48Å; F80-F128 HydrophobicContact CZ-CB 3.97Å; K125-F128 HydrophobicContact CB-CD2 4.47Å; K125-F128 PolarHBondContact O-N 3.01Å; W126-F128 VanDerWaalsContact C-N 3.3Å; W126-F128 PolarHBondContact O-N 3.45Å; F128-A130 VanDerWaalsContact C-N 3.35Å; F128-A131 WeakPolarHBondContact O-CB 3.46Å; F128-A131 PolarHBondContact O-N 3.31Å; F128-R132 WeakPolarHBondContact O-CG 3.49Å; F128-R132 PolarHBondContact O-N 2.85Å; F128-F195 WeakPolarHBondContact CD1-O 3.22Å; F128-T196 HydrophobicContact CD1-CG2 4.44Å; F128-T196 HydrophobicContact CE1-CG2 3.79Å; F128-T196 HydrophobicContact CE2-CG2 4.36Å; F128-T196 HydrophobicContact CZ-CG2 3.75Å |
| 129 | I | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 174.2 | -62.1 | 172.7 | 0 | 0 | 0 | 110 | I76 F80 Y85 K125 W126 A131 R132 L133 | I76-I129 HydrophobicContact CD1-CG2 3.97Å; I76-I129 HydrophobicContact CG1-CG2 4.34Å; I76-I129 HydrophobicContact CG2-CD1 4.12Å; I76-I129 HydrophobicContact CG2-CG1 4.07Å; I76-I129 HydrophobicContact CG2-CG2 3.91Å; F80-I129 HydrophobicContact CB-CD1 4.12Å; F80-I129 HydrophobicContact CD1-CD1 4.3Å; F80-I129 HydrophobicContact CD1-CG1 4.34Å; F80-I129 HydrophobicContact CD2-CD1 3.9Å; F80-I129 HydrophobicContact CD2-CG1 3.59Å; F80-I129 HydrophobicContact CE1-CG1 4.38Å; F80-I129 HydrophobicContact CE2-CD1 4.41Å; F80-I129 HydrophobicContact CE2-CG1 3.63Å; F80-I129 HydrophobicContact CG-CD1 3.83Å; F80-I129 HydrophobicContact CG-CG1 3.96Å; F80-I129 HydrophobicContact CZ-CG1 4.03Å; Y85-I129 HydrophobicContact CD1-CD1 4.03Å; Y85-I129 HydrophobicContact CG-CD1 4.27Å; K125-I129 PolarHBondContact O-N 3.42Å; W126-I129 HydrophobicContact CD2-CD1 4.05Å; W126-I129 HydrophobicContact CE3-CB 3.86Å; W126-I129 HydrophobicContact CE3-CD1 3.69Å; W126-I129 HydrophobicContact CE3-CG1 4.36Å; W126-I129 HydrophobicContact CE3-CG2 3.78Å; W126-I129 HydrophobicContact CH2-CD1 4.34Å; W126-I129 HydrophobicContact CZ3-CB 4.22Å; W126-I129 HydrophobicContact CZ3-CD1 3.86Å; W126-I129 HydrophobicContact CZ3-CG2 3.65Å; W126-I129 PolarHBondContact O-N 3.33Å; I129-A131 VanDerWaalsContact C-N 3.31Å; I129-A131 PolarHBondContact O-N 3.39Å; I129-R132 PolarHBondContact O-N 3.3Å; I129-L133 HydrophobicContact CG2-CD1 4.28Å; I129-L133 WeakPolarHBondContact O-CG 3.49Å; I129-L133 PolarHBondContact O-N 2.91Å; I129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | A | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A115 V116 W126 F128 L133 L134 Y197 | A115-A130 HydrophobicContact CB-CB 3.82Å; V116-A130 HydrophobicContact CG2-CB 3.69Å; W126-A130 VanDerWaalsContact O-CB 3.3Å; W126-A130 WeakPolarHBondContact O-CB 3.35Å; W126-A130 PolarHBondContact O-N 3.45Å; F128-A130 VanDerWaalsContact C-N 3.35Å; A130-L133 PolarHBondContact O-N 2.96Å; A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.4Å; A130-Y197 HydrophobicContact CB-CD2 3.95Å; A130-Y197 HydrophobicContact CB-CG 4.02Å |
| 131 | A | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E127 F128 I129 L133 L134 N135 F195 L200 | E127-A131 PolarHBondContact O-N 3.4Å; E127-A131 VanDerWaalsContact O-N 3.09Å; F128-A131 WeakPolarHBondContact O-CB 3.46Å; F128-A131 PolarHBondContact O-N 3.31Å; I129-A131 VanDerWaalsContact C-N 3.31Å; I129-A131 PolarHBondContact O-N 3.39Å; A131-L133 PolarHBondContact O-N 2.98Å; A131-L134 PolarHBondContact O-N 3.29Å; A131-N135 WeakPolarHBondContact O-CB 3.4Å; A131-N135 PolarHBondContact O-N 2.89Å; A131-F195 HydrophobicContact CB-CB 4.5Å; A131-F195 WeakPolarHBondContact CB-O 3.32Å; A131-L200 HydrophobicContact CB-CD2 4.49Å; A131-L200 WeakPolarHBondContact O-CD2 3.19Å |
| 132 | R | 98 | Very high | 95.9 | Very high | 31 Ų | 31 | 31 Ų | 31 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 178.5 | -70.8 | 179.9 | -178.2 | -157 | 5.6 | 112.2 | V72 I76 D79 F128 I129 N135 H136 E193 | V72-R132 HydrophobicContact CG1-CB 4.39Å; I76-R132 HydrophobicContact CD1-CB 4.42Å; D79-R132 IonicContact OD2-CZ 3.85Å; D79-R132 IonicContact OD2-NH1 3.81Å; D79-R132 PolarHBondContact OD2-NH1 2.86Å; D79-R132 IonicContact OD2-NH2 2.99Å; D79-R132 PolarHBondContact OD2-NH2 3.48Å; F128-R132 WeakPolarHBondContact O-CG 3.49Å; F128-R132 PolarHBondContact O-N 2.85Å; I129-R132 PolarHBondContact O-N 3.3Å; R132-N135 PolarHBondContact O-N 3.32Å; R132-H136 WeakPolarHBondContact O-CB 3.45Å; R132-H136 PolarHBondContact O-N 3.45Å; R132-E193 IonicContact CZ-OE1 2.83Å; R132-E193 IonicContact NH1-OE1 2.7Å; R132-E193 IonicContact NH2-OE2 2.76Å |
| 133 | L | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 175.6 | -64.8 | 169.4 | 0 | 0 | 0 | 111.3 | L69 L73 I76 L90 L111 A115 I129 A130 A131 N135 H136 S137 | L69-L133 HydrophobicContact CD1-CD2 3.94Å; L73-L133 HydrophobicContact CD2-CD2 4.24Å; I76-L133 HydrophobicContact CD1-CD2 4.16Å; I76-L133 HydrophobicContact CD1-CG 4.38Å; L90-L133 HydrophobicContact CD2-CD1 4.1Å; L111-L133 HydrophobicContact CD2-CD2 3.99Å; L111-L133 HydrophobicContact CG-CD1 4.18Å; L111-L133 HydrophobicContact CG-CD2 4.42Å; A115-L133 HydrophobicContact CB-CD1 3.71Å; I129-L133 HydrophobicContact CG2-CD1 4.28Å; I129-L133 WeakPolarHBondContact O-CG 3.49Å; I129-L133 PolarHBondContact O-N 2.91Å; I129-L133 VanDerWaalsContact O-N 3.08Å; A130-L133 PolarHBondContact O-N 2.96Å; A131-L133 PolarHBondContact O-N 2.98Å; L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.39Å; L133-H136 PolarHBondContact O-N 3.23Å; L133-S137 PolarHBondContact O-N 2.91Å; L133-S137 VanDerWaalsContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 3.2Å |
| 134 | L | 97 | Very high | 96.1 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 174.3 | 176.9 | 61.1 | 0 | 0 | 0 | 111.4 | T112 A130 A131 H136 S137 F138 Y197 L200 D201 L204 | T112-L134 HydrophobicContact CG2-CB 3.92Å; A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.4Å; A131-L134 PolarHBondContact O-N 3.29Å; L134-H136 VanDerWaalsContact C-N 3.34Å; L134-H136 PolarHBondContact O-N 2.6Å; L134-S137 PolarHBondContact O-N 3.36Å; L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 PolarHBondContact O-N 2.95Å; L134-Y197 HydrophobicContact CB-CD2 4.2Å; L134-Y197 HydrophobicContact CB-CE2 4.14Å; L134-Y197 HydrophobicContact CD2-CD2 3.91Å; L134-Y197 HydrophobicContact CD2-CE2 3.68Å; L134-Y197 HydrophobicContact CG-CE2 4.37Å; L134-L200 HydrophobicContact CB-CD2 4.23Å; L134-L200 HydrophobicContact CD2-CB 4.34Å; L134-L200 HydrophobicContact CD2-CD2 4.01Å; L134-L200 HydrophobicContact CD2-CG 4.01Å; L134-L200 HydrophobicContact CG-CD2 4.08Å; L134-L200 HydrophobicContact CG-CG 4.5Å; L134-D201 HydrophobicContact CD2-CB 4.12Å; L134-L204 HydrophobicContact CD2-CD1 4.38Å; L134-L204 HydrophobicContact CG-CD1 4.34Å |
| 135 | N | 97.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | -179 | -163.9 | 36.3 | 0 | 0 | 0 | 111.3 | A131 R132 L133 F138 R139 D192 L200 | A131-N135 WeakPolarHBondContact O-CB 3.4Å; A131-N135 PolarHBondContact O-N 2.89Å; R132-N135 PolarHBondContact O-N 3.32Å; L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.39Å; N135-F138 PolarHBondContact O-N 2.9Å; N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.27Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; N135-R139 PolarHBondContact O-N 2.99Å; N135-D192 WeakPolarHBondContact ND2-CB 3.26Å; N135-D192 PolarHBondContact ND2-OD2 3.5Å; N135-L200 HydrophobicContact CB-CD2 3.68Å |
| 136 | H | 96.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -54.9 | 176.1 | -178.8 | 69.2 | 0 | 0 | 0 | 111.7 | D66 S68 V72 R132 L133 L134 F138 R139 C140 | D66-H136 IonicContact OD2-CD2 2.7Å; D66-H136 IonicContact OD2-CE1 2.77Å; D66-H136 IonicContact OD2-NE2 3.71Å; D66-H136 PolarHBondContact OD2-NE2 3.22Å; S68-H136 PolarHBondContact OG-CE1 3.39Å; S68-H136 PolarHBondContact OG-NE2 3.34Å; V72-H136 HydrophobicContact CG2-CB 4.16Å; V72-H136 WeakPolarHBondContact CG2-ND1 3.08Å; R132-H136 WeakPolarHBondContact O-CB 3.45Å; R132-H136 PolarHBondContact O-N 3.45Å; L133-H136 PolarHBondContact O-N 3.23Å; L134-H136 VanDerWaalsContact C-N 3.34Å; L134-H136 PolarHBondContact O-N 2.6Å; H136-F138 VanDerWaalsContact C-N 3.26Å; H136-F138 PolarHBondContact O-N 2.83Å; H136-R139 PolarHBondContact O-N 3.11Å; H136-R139 VanDerWaalsContact O-N 3.11Å; H136-C140 PolarHBondContact O-N 3.1Å; H136-C140 PolarHBondContact O-SG 3.11Å; H136-C140 VanDerWaalsContact O-SG 3.4Å |
| 137 | S | 95.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | A108 L133 L134 R141 | A108-S137 WeakPolarHBondContact CB-OG 3.25Å; L133-S137 PolarHBondContact O-N 2.91Å; L133-S137 VanDerWaalsContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 3.2Å; L134-S137 PolarHBondContact O-N 3.36Å; S137-R141 WeakPolarHBondContact O-CG 3.03Å; S137-R141 PolarHBondContact O-N 2.88Å; S137-R141 PolarHBondContact O-NE 3.31Å; S137-R141 VanDerWaalsContact O-NE 3.12Å |
| 138 | F | 96.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 172.3 | 163.8 | -106.1 | 0 | 0 | 0 | 111.8 | L134 N135 H136 C140 R141 N142 L204 P216 T219 | L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 PolarHBondContact O-N 2.95Å; N135-F138 PolarHBondContact O-N 2.9Å; H136-F138 VanDerWaalsContact C-N 3.26Å; H136-F138 PolarHBondContact O-N 2.83Å; F138-C140 PolarHBondContact O-N 3.36Å; F138-R141 PolarHBondContact O-N 3.15Å; F138-N142 HydrophobicContact CE2-CB 3.95Å; F138-N142 HydrophobicContact CZ-CB 3.96Å; F138-N142 WeakPolarHBondContact O-CB 3.3Å; F138-N142 PolarHBondContact O-N 3.27Å; F138-L204 HydrophobicContact CB-CD1 4.03Å; F138-L204 HydrophobicContact CD1-CD1 4.29Å; F138-L204 HydrophobicContact CD1-CD2 3.91Å; F138-L204 HydrophobicContact CD2-CD1 4.22Å; F138-L204 HydrophobicContact CD2-CD2 3.98Å; F138-L204 HydrophobicContact CE1-CD2 3.82Å; F138-L204 HydrophobicContact CE2-CD2 3.9Å; F138-L204 HydrophobicContact CG-CD1 3.87Å; F138-L204 HydrophobicContact CG-CD2 4Å; F138-L204 HydrophobicContact CZ-CD2 3.81Å; F138-P216 HydrophobicContact CE2-CB 3.84Å; F138-T219 HydrophobicContact CE1-CG2 4.03Å; F138-T219 HydrophobicContact CZ-CG2 4.21Å |
| 139 | R | 95.3 | Very high | 95.7 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64 | -40.8 | -177.7 | -73.3 | -175.9 | 107.3 | -143.8 | -2.1 | 112.3 | N135 H136 N142 A143 | N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.27Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; N135-R139 PolarHBondContact O-N 2.99Å; H136-R139 PolarHBondContact O-N 3.11Å; H136-R139 VanDerWaalsContact O-N 3.11Å; R139-N142 PolarHBondContact O-N 3.04Å; R139-A143 VanDerWaalsContact O-CB 3.3Å; R139-A143 WeakPolarHBondContact O-CB 3.21Å; R139-A143 PolarHBondContact O-N 3.49Å |
| 140 | C | 94 | Very high | 95.4 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | H136 F138 A143 Q144 | H136-C140 PolarHBondContact O-N 3.1Å; H136-C140 PolarHBondContact O-SG 3.11Å; H136-C140 VanDerWaalsContact O-SG 3.4Å; F138-C140 PolarHBondContact O-N 3.36Å; C140-A143 PolarHBondContact O-N 3.39Å; C140-Q144 VanDerWaalsContact O-CG 3.31Å; C140-Q144 WeakPolarHBondContact O-CG 3.46Å; C140-Q144 PolarHBondContact O-N 3.41Å |
| 141 | R | 92.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.5 | -72.5 | -177.9 | -66.7 | 177.7 | -3.9 | 112.1 | S137 F138 A143 Q144 E145 | S137-R141 WeakPolarHBondContact O-CG 3.03Å; S137-R141 PolarHBondContact O-N 2.88Å; S137-R141 PolarHBondContact O-NE 3.31Å; S137-R141 VanDerWaalsContact O-NE 3.12Å; F138-R141 PolarHBondContact O-N 3.15Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.03Å; R141-Q144 WeakPolarHBondContact O-CB 3.45Å; R141-Q144 PolarHBondContact O-N 3.11Å; R141-E145 WeakPolarHBondContact O-CG 3.38Å; R141-E145 PolarHBondContact O-N 3.29Å |
| 142 | N | 95 | Very high | 94.6 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 179.1 | -175.2 | -101.1 | 0 | 0 | 0 | 111.7 | F138 R139 E145 W146 P216 L217 T219 | F138-N142 HydrophobicContact CE2-CB 3.95Å; F138-N142 HydrophobicContact CZ-CB 3.96Å; F138-N142 WeakPolarHBondContact O-CB 3.3Å; F138-N142 PolarHBondContact O-N 3.27Å; R139-N142 PolarHBondContact O-N 3.04Å; N142-E145 PolarHBondContact O-N 2.7Å; N142-W146 PolarHBondContact O-N 3.1Å; N142-W146 VanDerWaalsContact O-N 3.1Å; N142-P216 PolarHBondContact ND2-O 3.41Å; N142-L217 VanDerWaalsContact ND2-C 3.28Å; N142-L217 PolarHBondContact ND2-O 3.1Å; N142-T219 WeakPolarHBondContact OD1-CG2 3.38Å |
| 143 | A | 93.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R139 C140 R141 E145 W146 E147 | R139-A143 VanDerWaalsContact O-CB 3.3Å; R139-A143 WeakPolarHBondContact O-CB 3.21Å; R139-A143 PolarHBondContact O-N 3.49Å; C140-A143 PolarHBondContact O-N 3.39Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.03Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.21Å; A143-W146 PolarHBondContact O-N 2.99Å; A143-E147 WeakPolarHBondContact O-CB 3.27Å; A143-E147 PolarHBondContact O-N 3.12Å |
| 144 | Q | 93.2 | Very high | 94.3 | Very high | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 175.3 | -71.8 | 169.9 | 1.2 | 0 | 0 | 112.2 | C140 R141 W146 E147 G148 | C140-Q144 VanDerWaalsContact O-CG 3.31Å; C140-Q144 WeakPolarHBondContact O-CG 3.46Å; C140-Q144 PolarHBondContact O-N 3.41Å; R141-Q144 WeakPolarHBondContact O-CB 3.45Å; R141-Q144 PolarHBondContact O-N 3.11Å; Q144-W146 VanDerWaalsContact C-N 3.3Å; Q144-W146 PolarHBondContact O-N 3.09Å; Q144-E147 PolarHBondContact O-N 3.03Å; Q144-G148 PolarHBondContact O-N 2.99Å |
| 145 | E | 94.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176 | -70.5 | -66.4 | 154.3 | 0 | 0 | 111.4 | R141 N142 A143 R149 V215 L217 | R141-E145 WeakPolarHBondContact O-CG 3.38Å; R141-E145 PolarHBondContact O-N 3.29Å; N142-E145 PolarHBondContact O-N 2.7Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.21Å; E145-R149 VanDerWaalsContact O-CD 3.23Å; E145-R149 WeakPolarHBondContact O-CD 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.36Å; E145-R149 PolarHBondContact O-N 2.94Å; E145-R149 PolarHBondContact O-NH1 2.91Å; E145-R149 IonicContact OE2-CZ 3.87Å; E145-R149 IonicContact OE2-NH1 3.05Å; E145-R149 PolarHBondContact OE2-NH1 3.08Å; E145-R149 IonicContact OE2-NH2 3.18Å; E145-R149 PolarHBondContact OE2-NH2 2.94Å; E145-V215 HydrophobicContact CG-CG1 3.9Å; E145-L217 HydrophobicContact CB-CD2 4.28Å |
| 146 | W | 96.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75 | -38.8 | 178.3 | -76.2 | 123.8 | 0 | 0 | 0 | 113.6 | N142 A143 Q144 R149 G150 V151 R157 Y160 L161 L217 | N142-W146 PolarHBondContact O-N 3.1Å; N142-W146 VanDerWaalsContact O-N 3.1Å; A143-W146 PolarHBondContact O-N 2.99Å; Q144-W146 VanDerWaalsContact C-N 3.3Å; Q144-W146 PolarHBondContact O-N 3.09Å; W146-R149 HydrophobicContact CE3-CB 4.39Å; W146-R149 CarbonylContact O-C 3.59Å; W146-R149 PolarHBondContact O-N 3.23Å; W146-R149 VanDerWaalsContact O-N 3.11Å; W146-G150 PolarHBondContact O-N 3.17Å; W146-G150 VanDerWaalsContact O-N 3.11Å; W146-V151 HydrophobicContact CE3-CB 3.86Å; W146-V151 HydrophobicContact CE3-CG1 4.16Å; W146-V151 HydrophobicContact CZ3-CB 4.15Å; W146-V151 HydrophobicContact CZ3-CG1 4.17Å; W146-V151 HydrophobicContact CZ3-CG2 4.46Å; W146-V151 PolarHBondContact O-N 2.83Å; W146-R157 HydrophobicContact CD2-CG 3.77Å; W146-R157 HydrophobicContact CE3-CG 3.83Å; W146-R157 HydrophobicContact CG-CG 4.49Å; W146-R157 HydrophobicContact CH2-CB 3.58Å; W146-R157 HydrophobicContact CH2-CG 3.74Å; W146-R157 HydrophobicContact CZ2-CB 3.71Å; W146-R157 HydrophobicContact CZ2-CG 3.69Å; W146-R157 HydrophobicContact CZ3-CB 4.04Å; W146-R157 HydrophobicContact CZ3-CG 3.82Å; W146-Y160 HydrophobicContact CH2-CD1 4.1Å; W146-Y160 AromaticContact CZ3-CD1 3.92Å; W146-Y160 HydrophobicContact CZ3-CD1 3.92Å; W146-Y160 HydrophobicContact CZ3-CG 4.13Å; W146-L161 HydrophobicContact CH2-CD1 4.42Å; W146-L161 HydrophobicContact CH2-CD2 4.12Å; W146-L161 HydrophobicContact CH2-CG 4.01Å; W146-L161 HydrophobicContact CZ2-CD1 4.44Å; W146-L161 HydrophobicContact CZ2-CD2 4.49Å; W146-L161 HydrophobicContact CZ2-CG 4.46Å; W146-L217 HydrophobicContact CZ2-CB 4.22Å; W146-L217 VanDerWaalsContact CZ2-O 3.31Å; W146-L217 WeakPolarHBondContact CZ2-O 3.5Å; W146-L217 PolarHBondContact NE1-O 3.42Å |
| 147 | E | 94.7 | Very high | 94.3 | Very high | 158 Ų | 158 | 54.9 Ų | 54.9 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.4 | -47.1 | 173.1 | -175.3 | 176.2 | -169 | 0 | 0 | 111 | A143 Q144 R149 G150 | A143-E147 WeakPolarHBondContact O-CB 3.27Å; A143-E147 PolarHBondContact O-N 3.12Å; Q144-E147 PolarHBondContact O-N 3.03Å; E147-R149 PolarHBondContact O-N 3.34Å; E147-R149 VanDerWaalsContact O-N 3.11Å; E147-G150 PolarHBondContact O-N 2.87Å |
| 148 | G | 92.8 | Very high | 94.4 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q144 | Q144-G148 PolarHBondContact O-N 2.99Š|
| 149 | R | 93.5 | Very high | 94.5 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -8.8 | 174.1 | -73 | 161.6 | -177.2 | 65 | -9.2 | 113.3 | E145 W146 E147 V151 Y160 | E145-R149 VanDerWaalsContact O-CD 3.23Å; E145-R149 WeakPolarHBondContact O-CD 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.36Å; E145-R149 PolarHBondContact O-N 2.94Å; E145-R149 PolarHBondContact O-NH1 2.91Å; E145-R149 IonicContact OE2-CZ 3.87Å; E145-R149 IonicContact OE2-NH1 3.05Å; E145-R149 PolarHBondContact OE2-NH1 3.08Å; E145-R149 IonicContact OE2-NH2 3.18Å; E145-R149 PolarHBondContact OE2-NH2 2.94Å; W146-R149 HydrophobicContact CE3-CB 4.39Å; W146-R149 CarbonylContact O-C 3.59Å; W146-R149 PolarHBondContact O-N 3.23Å; W146-R149 VanDerWaalsContact O-N 3.11Å; E147-R149 PolarHBondContact O-N 3.34Å; E147-R149 VanDerWaalsContact O-N 3.11Å; R149-V151 VanDerWaalsContact C-N 3.35Å; R149-V151 HydrophobicContact CB-CG2 4.3Å; R149-Y160 HydrophobicContact CB-CE2 4.5Å; R149-Y160 HydrophobicContact CG-CE2 4.21Å; R149-Y160 PolarHBondContact NE-OH 2.86Å |
| 150 | G | 93.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 32.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W146 E147 | W146-G150 PolarHBondContact O-N 3.17Å; W146-G150 VanDerWaalsContact O-N 3.11Å; E147-G150 PolarHBondContact O-N 2.87Å |
| 151 | V | 91.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | trans | -121.8 | 118.1 | -177.2 | -179.4 | 0 | 0 | 0 | 0 | 110 | W146 R149 R157 | W146-V151 HydrophobicContact CE3-CB 3.86Å; W146-V151 HydrophobicContact CE3-CG1 4.16Å; W146-V151 HydrophobicContact CZ3-CB 4.15Å; W146-V151 HydrophobicContact CZ3-CG1 4.17Å; W146-V151 HydrophobicContact CZ3-CG2 4.46Å; W146-V151 PolarHBondContact O-N 2.83Å; R149-V151 VanDerWaalsContact C-N 3.35Å; R149-V151 HydrophobicContact CB-CG2 4.3Å; V151-R157 HydrophobicContact CG1-CB 4.28Å; V151-R157 HydrophobicContact CG1-CG 3.65Å | ||
| 152 | G | 86.3 | Confident | 95 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | trans | -101.4 | -49.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R157 | G152-R157 PolarHBondContact O-NH2 2.89Š| ||
| 153 | D | 93.8 | Very high | 95 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -93.7 | 159.3 | -172.3 | 66.3 | -37.9 | 0 | 0 | 0 | 112.9 | Y155 G156 R157 H177 | D153-Y155 VanDerWaalsContact C-N 3.33Å; D153-Y155 PolarHBondContact O-N 2.91Å; D153-G156 PolarHBondContact O-N 3.4Å; D153-G156 WeakPolarHBondContact OD1-CA 3.42Å; D153-G156 PolarHBondContact OD1-N 2.89Å; D153-R157 WeakPolarHBondContact O-CG 3.37Å; D153-R157 PolarHBondContact O-N 2.83Å; D153-R157 VanDerWaalsContact O-N 3.07Å; D153-H177 IonicContact OD2-CE1 2.62Å |
| 154 | L | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -43.5 | -178.9 | -179.9 | 62.1 | 0 | 0 | 0 | 112.4 | G156 R157 L158 I180 E184 E222 L225 | L154-G156 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.32Å; L154-R157 WeakPolarHBondContact O-CB 3.32Å; L154-R157 PolarHBondContact O-N 3.13Å; L154-R157 VanDerWaalsContact O-N 3.11Å; L154-L158 HydrophobicContact CD1-CD2 4.32Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 4.41Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.36Å; L154-L158 PolarHBondContact O-N 2.83Å; L154-I180 HydrophobicContact CB-CG2 4.29Å; L154-I180 HydrophobicContact CD2-CG2 4.02Å; L154-I180 HydrophobicContact CG-CG2 3.95Å; L154-E184 HydrophobicContact CB-CB 3.9Å; L154-E184 HydrophobicContact CB-CG 3.83Å; L154-E184 HydrophobicContact CD2-CB 3.82Å; L154-E184 HydrophobicContact CD2-CG 4.37Å; L154-E184 PolarHBondContact N-OE1 3Å; L154-E184 PolarHBondContact N-OE2 2.66Å; L154-E222 HydrophobicContact CD1-CG 4.21Å; L154-L225 HydrophobicContact CD2-CD2 3.61Å |
| 155 | Y | 97.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 26% | 0.255 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.3 | -178 | -87.6 | 0 | 0 | 0 | 111.6 | D153 R157 L158 R159 L172 H177 I180 | D153-Y155 VanDerWaalsContact C-N 3.33Å; D153-Y155 PolarHBondContact O-N 2.91Å; Y155-R157 VanDerWaalsContact C-N 3.27Å; Y155-R157 PolarHBondContact O-N 3.35Å; Y155-L158 PolarHBondContact O-N 3.04Å; Y155-R159 WeakPolarHBondContact O-CB 3.36Å; Y155-R159 PolarHBondContact O-N 2.8Å; Y155-L172 HydrophobicContact CD2-CD2 4.05Å; Y155-L172 HydrophobicContact CE2-CD2 3.88Å; Y155-H177 WeakPolarHBondContact CB-ND1 3.24Å; Y155-H177 AromaticContact CD1-CE1 3.55Å; Y155-H177 AromaticContact CD1-ND1 3.05Å; Y155-H177 WeakPolarHBondContact CD1-ND1 3.36Å; Y155-H177 HydrophobicContact CD2-CB 4.11Å; Y155-H177 AromaticContact CD2-ND1 3.36Å; Y155-H177 WeakPolarHBondContact CD2-ND1 2.99Å; Y155-H177 AromaticContact CE1-ND1 3.48Å; Y155-H177 WeakPolarHBondContact CE1-ND1 3.01Å; Y155-H177 HydrophobicContact CE2-CB 3.99Å; Y155-H177 AromaticContact CE2-ND1 3.76Å; Y155-H177 AromaticContact CG-CE1 3.58Å; Y155-H177 AromaticContact CG-ND1 2.98Å; Y155-H177 AromaticContact CZ-ND1 3.82Å; Y155-I180 HydrophobicContact CD2-CB 4.08Å; Y155-I180 HydrophobicContact CD2-CG1 4.11Å; Y155-I180 HydrophobicContact CD2-CG2 4.27Å |
| 156 | G | 97.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D153 L154 R159 Y160 | D153-G156 PolarHBondContact O-N 3.4Å; D153-G156 WeakPolarHBondContact OD1-CA 3.42Å; D153-G156 PolarHBondContact OD1-N 2.89Å; L154-G156 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.32Å; G156-R159 PolarHBondContact O-N 3.07Å; G156-Y160 WeakPolarHBondContact O-CB 3.21Å; G156-Y160 PolarHBondContact O-N 3.22Å |
| 157 | R | 97.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 178 | -65 | 177.9 | -164.7 | 170.3 | 9.2 | 111.3 | W146 V151 G152 D153 L154 Y155 R159 Y160 L161 E222 | W146-R157 HydrophobicContact CD2-CG 3.77Å; W146-R157 HydrophobicContact CE3-CG 3.83Å; W146-R157 HydrophobicContact CG-CG 4.49Å; W146-R157 HydrophobicContact CH2-CB 3.58Å; W146-R157 HydrophobicContact CH2-CG 3.74Å; W146-R157 HydrophobicContact CZ2-CB 3.71Å; W146-R157 HydrophobicContact CZ2-CG 3.69Å; W146-R157 HydrophobicContact CZ3-CB 4.04Å; W146-R157 HydrophobicContact CZ3-CG 3.82Å; V151-R157 HydrophobicContact CG1-CB 4.28Å; V151-R157 HydrophobicContact CG1-CG 3.65Å; G152-R157 PolarHBondContact O-NH2 2.89Å; D153-R157 WeakPolarHBondContact O-CG 3.37Å; D153-R157 PolarHBondContact O-N 2.83Å; D153-R157 VanDerWaalsContact O-N 3.07Å; L154-R157 WeakPolarHBondContact O-CB 3.32Å; L154-R157 PolarHBondContact O-N 3.13Å; L154-R157 VanDerWaalsContact O-N 3.11Å; Y155-R157 VanDerWaalsContact C-N 3.27Å; Y155-R157 PolarHBondContact O-N 3.35Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.22Å; R157-Y160 PolarHBondContact O-N 3.47Å; R157-L161 WeakPolarHBondContact O-CG 3.08Å; R157-L161 PolarHBondContact O-N 3.02Å; R157-E222 IonicContact CZ-OE1 3.22Å; R157-E222 IonicContact NH1-OE1 2.75Å; R157-E222 PolarHBondContact NH1-OE1 3.25Å |
| 158 | L | 97.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 177.8 | -65.5 | -169.7 | 0 | 0 | 0 | 111.8 | L154 Y155 L161 T162 Y167 L172 I180 | L154-L158 HydrophobicContact CD1-CD2 4.32Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 4.41Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.36Å; L154-L158 PolarHBondContact O-N 2.83Å; Y155-L158 PolarHBondContact O-N 3.04Å; L158-L161 PolarHBondContact O-N 3.36Å; L158-T162 VanDerWaalsContact O-CB 3.31Å; L158-T162 WeakPolarHBondContact O-CB 3.27Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.48Å; L158-Y167 HydrophobicContact CD2-CD1 4.36Å; L158-Y167 HydrophobicContact CD2-CD2 3.97Å; L158-Y167 HydrophobicContact CD2-CE1 3.86Å; L158-Y167 HydrophobicContact CD2-CE2 3.49Å; L158-Y167 VanDerWaalsContact CD2-CE2 3.49Å; L158-Y167 HydrophobicContact CD2-CG 4.42Å; L158-Y167 VanDerWaalsContact CD2-CZ 3.44Å; L158-L172 HydrophobicContact CB-CD1 4.32Å; L158-L172 HydrophobicContact CB-CD2 3.92Å; L158-L172 HydrophobicContact CB-CG 4.35Å; L158-L172 HydrophobicContact CD1-CD2 4.24Å; L158-I180 HydrophobicContact CD1-CD1 4.02Å; L158-I180 HydrophobicContact CD1-CG2 4.08Å |
| 159 | R | 97.4 | Very high | 95.7 | Very high | 116 Ų | 116 | 49.3 Ų | 49.3 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 175.5 | -173.2 | -176.9 | 61.7 | 75.5 | -3.3 | 110.8 | Y155 G156 R157 L161 T162 D163 L172 | Y155-R159 WeakPolarHBondContact O-CB 3.36Å; Y155-R159 PolarHBondContact O-N 2.8Å; G156-R159 PolarHBondContact O-N 3.07Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.22Å; R159-L161 PolarHBondContact O-N 2.88Å; R159-T162 WeakPolarHBondContact O-CB 3.21Å; R159-T162 PolarHBondContact O-N 3.04Å; R159-D163 IonicContact NH1-OD2 2.82Å; R159-D163 PolarHBondContact NH1-OD2 3.29Å; R159-D163 WeakPolarHBondContact O-CB 3.06Å; R159-D163 PolarHBondContact O-N 3.33Å; R159-L172 HydrophobicContact CB-CD1 4.12Å |
| 160 | Y | 97.1 | Very high | 95.8 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 176.6 | 179.1 | -83.9 | 0 | 0 | 0 | 112.1 | W146 R149 G156 R157 T162 D163 K164 | W146-Y160 HydrophobicContact CH2-CD1 4.1Å; W146-Y160 AromaticContact CZ3-CD1 3.92Å; W146-Y160 HydrophobicContact CZ3-CD1 3.92Å; W146-Y160 HydrophobicContact CZ3-CG 4.13Å; R149-Y160 HydrophobicContact CB-CE2 4.5Å; R149-Y160 HydrophobicContact CG-CE2 4.21Å; R149-Y160 PolarHBondContact NE-OH 2.86Å; G156-Y160 WeakPolarHBondContact O-CB 3.21Å; G156-Y160 PolarHBondContact O-N 3.22Å; R157-Y160 PolarHBondContact O-N 3.47Å; Y160-T162 VanDerWaalsContact C-N 3.33Å; Y160-T162 PolarHBondContact O-N 3.44Å; Y160-D163 PolarHBondContact O-N 2.96Å; Y160-K164 HydrophobicContact CD1-CG 4.21Å; Y160-K164 HydrophobicContact CE1-CG 3.78Å; Y160-K164 WeakPolarHBondContact O-CG 3.49Å; Y160-K164 PolarHBondContact O-N 2.86Å; Y160-K164 VanDerWaalsContact O-N 3.09Å |
| 161 | L | 97.5 | Very high | 96 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -37 | -179.6 | -64.1 | 173 | 0 | 0 | 0 | 111.8 | W146 R157 L158 R159 K164 G165 L166 Y167 I209 L217 | W146-L161 HydrophobicContact CH2-CD1 4.42Å; W146-L161 HydrophobicContact CH2-CD2 4.12Å; W146-L161 HydrophobicContact CH2-CG 4.01Å; W146-L161 HydrophobicContact CZ2-CD1 4.44Å; W146-L161 HydrophobicContact CZ2-CD2 4.49Å; W146-L161 HydrophobicContact CZ2-CG 4.46Å; R157-L161 WeakPolarHBondContact O-CG 3.08Å; R157-L161 PolarHBondContact O-N 3.02Å; L158-L161 PolarHBondContact O-N 3.36Å; R159-L161 PolarHBondContact O-N 2.88Å; L161-K164 PolarHBondContact O-N 3.4Å; L161-G165 PolarHBondContact O-N 3.16Å; L161-L166 HydrophobicContact CB-CB 4.44Å; L161-L166 HydrophobicContact CD2-CB 4.43Å; L161-L166 HydrophobicContact CD2-CD1 4.15Å; L161-L166 PolarHBondContact O-N 2.62Å; L161-Y167 HydrophobicContact CB-CD2 4.33Å; L161-Y167 HydrophobicContact CB-CG 4.38Å; L161-Y167 HydrophobicContact CD1-CD2 4.01Å; L161-Y167 PolarHBondContact O-N 2.86Å; L161-I209 HydrophobicContact CD1-CD1 4.4Å; L161-I209 HydrophobicContact CD1-CG2 4.38Å; L161-I209 HydrophobicContact CD2-CG2 4.11Å; L161-L217 HydrophobicContact CD2-CB 4.07Å; L161-L217 HydrophobicContact CD2-CD1 3.69Å |
| 162 | T | 97.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 172.3 | -58.4 | 0 | 0 | 0 | 0 | 111 | L158 R159 Y160 K164 G165 D169 | L158-T162 VanDerWaalsContact O-CB 3.31Å; L158-T162 WeakPolarHBondContact O-CB 3.27Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.48Å; R159-T162 WeakPolarHBondContact O-CB 3.21Å; R159-T162 PolarHBondContact O-N 3.04Å; Y160-T162 VanDerWaalsContact C-N 3.33Å; Y160-T162 PolarHBondContact O-N 3.44Å; T162-K164 PolarHBondContact O-N 2.75Å; T162-K164 VanDerWaalsContact O-N 3.14Å; T162-G165 WeakPolarHBondContact O-CA 3.39Å; T162-G165 PolarHBondContact O-N 3.44Å; T162-D169 HydrophobicContact CG2-CB 3.75Å |
| 163 | D | 96.7 | Very high | 96.7 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.4 | -26.7 | 178.8 | -67.8 | -19.5 | 0 | 0 | 0 | 112.4 | R159 Y160 | R159-D163 IonicContact NH1-OD2 2.82Å; R159-D163 PolarHBondContact NH1-OD2 3.29Å; R159-D163 WeakPolarHBondContact O-CB 3.06Å; R159-D163 PolarHBondContact O-N 3.33Å; Y160-D163 PolarHBondContact O-N 2.96Å |
| 164 | K | 95.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 46.1 Ų | 46.1 | 47% | 0.47 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3 | 174.6 | -63.8 | -56.9 | -179.1 | -171.3 | 0 | 114.2 | Y160 L161 T162 L166 | Y160-K164 HydrophobicContact CD1-CG 4.21Å; Y160-K164 HydrophobicContact CE1-CG 3.78Å; Y160-K164 WeakPolarHBondContact O-CG 3.49Å; Y160-K164 PolarHBondContact O-N 2.86Å; Y160-K164 VanDerWaalsContact O-N 3.09Å; L161-K164 PolarHBondContact O-N 3.4Å; T162-K164 PolarHBondContact O-N 2.75Å; T162-K164 VanDerWaalsContact O-N 3.14Å; K164-L166 VanDerWaalsContact C-N 3.31Å; K164-L166 HydrophobicContact CB-CD1 4.11Å; K164-L166 HydrophobicContact CB-CG 4.06Å |
| 165 | G | 96 | Very high | 96.9 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 30.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L161 T162 | L161-G165 PolarHBondContact O-N 3.16Å; T162-G165 WeakPolarHBondContact O-CA 3.39Å; T162-G165 PolarHBondContact O-N 3.44Å |
| 166 | L | 96.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -102.2 | -23.4 | 177.9 | -61 | 177.1 | 0 | 0 | 0 | 112.3 | L161 K164 I209 L217 | L161-L166 HydrophobicContact CB-CB 4.44Å; L161-L166 HydrophobicContact CD2-CB 4.43Å; L161-L166 HydrophobicContact CD2-CD1 4.15Å; L161-L166 PolarHBondContact O-N 2.62Å; K164-L166 VanDerWaalsContact C-N 3.31Å; K164-L166 HydrophobicContact CB-CD1 4.11Å; K164-L166 HydrophobicContact CB-CG 4.06Å; L166-I209 HydrophobicContact CB-CG2 3.99Å; L166-L217 HydrophobicContact CD1-CD1 4.22Å |
| 167 | Y | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -117.9 | 147.9 | 176.9 | -147.1 | -89.4 | 0 | 0 | 0 | 109.6 | L158 L161 D169 I171 I209 G226 R266 | L158-Y167 HydrophobicContact CD2-CD1 4.36Å; L158-Y167 HydrophobicContact CD2-CD2 3.97Å; L158-Y167 HydrophobicContact CD2-CE1 3.86Å; L158-Y167 HydrophobicContact CD2-CE2 3.49Å; L158-Y167 VanDerWaalsContact CD2-CE2 3.49Å; L158-Y167 HydrophobicContact CD2-CG 4.42Å; L158-Y167 VanDerWaalsContact CD2-CZ 3.44Å; L161-Y167 HydrophobicContact CB-CD2 4.33Å; L161-Y167 HydrophobicContact CB-CG 4.38Å; L161-Y167 HydrophobicContact CD1-CD2 4.01Å; L161-Y167 PolarHBondContact O-N 2.86Å; Y167-D169 PolarHBondContact O-N 3.4Å; Y167-I171 HydrophobicContact CD1-CB 4.2Å; Y167-I171 HydrophobicContact CD1-CG1 4.21Å; Y167-I171 HydrophobicContact CE1-CB 3.67Å; Y167-I171 HydrophobicContact CE1-CG1 3.61Å; Y167-I171 HydrophobicContact CE1-CG2 3.8Å; Y167-I209 HydrophobicContact CD2-CD1 3.19Å; Y167-I209 HydrophobicContact CE2-CD1 3.6Å; Y167-I209 HydrophobicContact CG-CD1 4.24Å; Y167-G226 VanDerWaalsContact OH-CA 3.25Å; Y167-G226 WeakPolarHBondContact OH-CA 3.44Å; Y167-R266 CarbonylContact C-O 3.4Å; Y167-R266 WeakPolarHBondContact CA-O 3.44Å; Y167-R266 WeakPolarHBondContact CD1-O 3.46Å; Y167-R266 HydrophobicContact CD2-CG 4.16Å; Y167-R266 HydrophobicContact CE1-CB 3.92Å; Y167-R266 HydrophobicContact CE1-CG 4.49Å; Y167-R266 HydrophobicContact CE2-CB 3.84Å; Y167-R266 HydrophobicContact CE2-CG 3.5Å; Y167-R266 VanDerWaalsContact CZ-CB 3.46Å; Y167-R266 WeakPolarHBondContact OH-CB 3.3Å |
| 168 | G | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -69.1 | 120 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y170 I171 R266 | G168-Y170 PolarHBondContact O-N 3.04Å; G168-I171 PolarHBondContact O-N 3.32Å; G168-R266 PolarHBondContact N-O 3.33Å | ||
| 169 | D | 96.7 | Very high | 96.7 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.8 | -32.1 | 175.3 | 59 | -10.9 | 0 | 0 | 0 | 112.6 | T162 Y167 I171 L172 A173 | T162-D169 HydrophobicContact CG2-CB 3.75Å; Y167-D169 PolarHBondContact O-N 3.4Å; D169-I171 PolarHBondContact O-N 3.08Å; D169-I171 VanDerWaalsContact O-N 3.13Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 VanDerWaalsContact O-N 3.15Å; D169-A173 PolarHBondContact O-N 3.2Å |
| 170 | Y | 96 | Very high | 96.8 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.8 | -28.5 | 175 | 64.9 | -99.6 | 0 | 0 | 0 | 113.3 | G168 A173 H174 H230 M233 R266 K267 H270 | G168-Y170 PolarHBondContact O-N 3.04Å; Y170-A173 PolarHBondContact O-N 3.3Å; Y170-H174 PolarHBondContact O-N 3.32Å; Y170-H174 PolarHBondContact O-ND1 3.19Å; Y170-H230 AromaticContact CE2-CD2 3.46Å; Y170-H230 VanDerWaalsContact CE2-CD2 3.46Å; Y170-H230 WeakPolarHBondContact CE2-CD2 3.32Å; Y170-H230 AromaticContact CE2-CE1 3.94Å; Y170-H230 AromaticContact CE2-NE2 3.4Å; Y170-H230 WeakPolarHBondContact CE2-NE2 3.34Å; Y170-H230 AromaticContact CZ-CE1 3.89Å; Y170-H230 AromaticContact CZ-NE2 3.74Å; Y170-H230 PolarHBondContact OH-CE1 3.38Å; Y170-H230 PolarHBondContact OH-ND1 3.03Å; Y170-H230 PolarHBondContact OH-NE2 2.79Å; Y170-M233 HydrophobicContact CD2-CE 3.8Å; Y170-M233 HydrophobicContact CD2-SD 3.63Å; Y170-M233 HydrophobicContact CE2-CE 4.24Å; Y170-M233 HydrophobicContact CE2-SD 4.32Å; Y170-R266 WeakPolarHBondContact OH-CA 3.4Å; Y170-R266 PolarHBondContact OH-N 2.77Å; Y170-K267 WeakPolarHBondContact CE1-O 3.28Å; Y170-K267 PolarHBondContact OH-O 3.29Å; Y170-H270 HydrophobicContact CE1-CB 4.47Å; Y170-H270 AromaticContact CE1-ND1 3.51Å; Y170-H270 AromaticContact CZ-ND1 4Å; Y170-H270 WeakPolarHBondContact OH-CB 3.37Å |
| 171 | I | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.2 | -49.8 | 176.8 | -62.1 | -68 | 0 | 0 | 0 | 110.6 | Y167 G168 D169 A173 H174 Y175 L229 H230 M233 | Y167-I171 HydrophobicContact CD1-CB 4.2Å; Y167-I171 HydrophobicContact CD1-CG1 4.21Å; Y167-I171 HydrophobicContact CE1-CB 3.67Å; Y167-I171 HydrophobicContact CE1-CG1 3.61Å; Y167-I171 HydrophobicContact CE1-CG2 3.8Å; G168-I171 PolarHBondContact O-N 3.32Å; D169-I171 PolarHBondContact O-N 3.08Å; D169-I171 VanDerWaalsContact O-N 3.13Å; I171-A173 PolarHBondContact O-N 2.83Å; I171-H174 PolarHBondContact O-N 2.82Å; I171-H174 VanDerWaalsContact O-N 3.15Å; I171-Y175 HydrophobicContact CG2-CD2 4.21Å; I171-Y175 WeakPolarHBondContact O-CD2 3.45Å; I171-Y175 PolarHBondContact O-N 2.93Å; I171-L229 HydrophobicContact CG2-CB 4.47Å; I171-H230 HydrophobicContact CD1-CB 3.81Å; I171-M233 HydrophobicContact CD1-SD 4.42Å |
| 172 | L | 97 | Very high | 96.8 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.2 | -19.1 | 178 | -67.6 | 179.9 | 0 | 0 | 0 | 112.8 | Y155 L158 R159 D169 H174 | Y155-L172 HydrophobicContact CD2-CD2 4.05Å; Y155-L172 HydrophobicContact CE2-CD2 3.88Å; L158-L172 HydrophobicContact CB-CD1 4.32Å; L158-L172 HydrophobicContact CB-CD2 3.92Å; L158-L172 HydrophobicContact CB-CG 4.35Å; L158-L172 HydrophobicContact CD1-CD2 4.24Å; R159-L172 HydrophobicContact CB-CD1 4.12Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 VanDerWaalsContact O-N 3.15Å; L172-H174 VanDerWaalsContact C-N 3.31Å |
| 173 | A | 96.5 | Very high | 96.8 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.8 | -23.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | D169 Y170 I171 | D169-A173 PolarHBondContact O-N 3.2Å; Y170-A173 PolarHBondContact O-N 3.3Å; I171-A173 PolarHBondContact O-N 2.83Å |
| 174 | H | 96.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 51 Ų | 51 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -105.6 | -16.5 | -175.5 | -72.2 | 79.7 | 0 | 0 | 0 | 114.6 | Y170 I171 L172 M233 R239 | Y170-H174 PolarHBondContact O-N 3.32Å; Y170-H174 PolarHBondContact O-ND1 3.19Å; I171-H174 PolarHBondContact O-N 2.82Å; I171-H174 VanDerWaalsContact O-N 3.15Å; L172-H174 VanDerWaalsContact C-N 3.31Å; H174-M233 HydrophobicContact CB-CG 3.51Å; H174-M233 HydrophobicContact CB-SD 3.92Å; H174-M233 VanDerWaalsContact CD2-CG 3.46Å; H174-M233 WeakPolarHBondContact CD2-CG 3.43Å; H174-M233 PolarHBondContact ND1-SD 3.22Å; H174-R239 PolarHBondContact O-NH1 3.08Å |
| 175 | Y | 97.5 | Very high | 97 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -119 | 134.9 | -179.3 | -70.7 | -80.7 | 0 | 0 | 0 | 111.7 | I171 E179 I180 L229 M233 R239 M240 V243 | I171-Y175 HydrophobicContact CG2-CD2 4.21Å; I171-Y175 WeakPolarHBondContact O-CD2 3.45Å; I171-Y175 PolarHBondContact O-N 2.93Å; Y175-E179 WeakPolarHBondContact CA-OE2 3.43Å; Y175-E179 HydrophobicContact CD1-CB 4.09Å; Y175-I180 HydrophobicContact CG-CD1 4.07Å; Y175-L229 HydrophobicContact CD1-CD2 4.01Å; Y175-L229 HydrophobicContact CD2-CD2 4.06Å; Y175-L229 HydrophobicContact CE1-CD2 3.74Å; Y175-L229 HydrophobicContact CE2-CB 3.99Å; Y175-L229 HydrophobicContact CE2-CD2 3.82Å; Y175-L229 WeakPolarHBondContact CE2-O 3.39Å; Y175-L229 HydrophobicContact CG-CD2 4.15Å; Y175-L229 PolarHBondContact OH-O 3.31Å; Y175-M233 PolarHBondContact OH-N 3.33Å; Y175-R239 HydrophobicContact CE1-CG 3.89Å; Y175-M240 HydrophobicContact CD1-SD 4.02Å; Y175-M240 HydrophobicContact CE1-SD 3.78Å; Y175-V243 HydrophobicContact CE1-CG2 4.1Å; Y175-V243 WeakPolarHBondContact OH-CG2 3.45Å |
| 176 | T | 96.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | trans | -73.6 | 166 | 173.9 | 83.9 | 0 | 0 | 0 | 0 | 111.5 | E178 E179 I180 | T176-E178 VanDerWaalsContact C-N 3.26Å; T176-E178 WeakPolarHBondContact CB-OE2 2.98Å; T176-E178 PolarHBondContact O-N 3.4Å; T176-E178 PolarHBondContact OG1-N 3.01Å; T176-E178 PolarHBondContact OG1-OE2 2.8Å; T176-E179 PolarHBondContact N-OE2 3.41Å; T176-E179 PolarHBondContact O-N 3.46Å; T176-E179 PolarHBondContact OG1-N 2.98Å; T176-I180 WeakPolarHBondContact O-CG1 3.43Å; T176-I180 PolarHBondContact O-N 3.01Å | ||
| 177 | H | 96 | Very high | 97.3 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 174.9 | -174.7 | 79.9 | 0 | 0 | 0 | 111.7 | D153 Y155 I180 A181 | D153-H177 IonicContact OD2-CE1 2.62Å; Y155-H177 WeakPolarHBondContact CB-ND1 3.24Å; Y155-H177 AromaticContact CD1-CE1 3.55Å; Y155-H177 AromaticContact CD1-ND1 3.05Å; Y155-H177 WeakPolarHBondContact CD1-ND1 3.36Å; Y155-H177 HydrophobicContact CD2-CB 4.11Å; Y155-H177 AromaticContact CD2-ND1 3.36Å; Y155-H177 WeakPolarHBondContact CD2-ND1 2.99Å; Y155-H177 AromaticContact CE1-ND1 3.48Å; Y155-H177 WeakPolarHBondContact CE1-ND1 3.01Å; Y155-H177 HydrophobicContact CE2-CB 3.99Å; Y155-H177 AromaticContact CE2-ND1 3.76Å; Y155-H177 AromaticContact CG-CE1 3.58Å; Y155-H177 AromaticContact CG-ND1 2.98Å; Y155-H177 AromaticContact CZ-ND1 3.82Å; H177-I180 PolarHBondContact O-N 3.44Å; H177-A181 WeakPolarHBondContact O-CB 3.3Å; H177-A181 PolarHBondContact O-N 3.04Å |
| 178 | E | 97 | Very high | 97.3 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 178.3 | -58.2 | 71.9 | -156.2 | 0 | 0 | 112.2 | T176 A181 M182 | T176-E178 VanDerWaalsContact C-N 3.26Å; T176-E178 WeakPolarHBondContact CB-OE2 2.98Å; T176-E178 PolarHBondContact O-N 3.4Å; T176-E178 PolarHBondContact OG1-N 3.01Å; T176-E178 PolarHBondContact OG1-OE2 2.8Å; E178-A181 PolarHBondContact O-N 2.92Å; E178-M182 WeakPolarHBondContact O-CB 3.17Å; E178-M182 PolarHBondContact O-N 3.48Å |
| 179 | E | 97.7 | Very high | 97.3 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 175.3 | -71.8 | 179.9 | 132.3 | 0 | 0 | 111.5 | Y175 T176 M182 A183 M240 | Y175-E179 WeakPolarHBondContact CA-OE2 3.43Å; Y175-E179 HydrophobicContact CD1-CB 4.09Å; T176-E179 PolarHBondContact N-OE2 3.41Å; T176-E179 PolarHBondContact O-N 3.46Å; T176-E179 PolarHBondContact OG1-N 2.98Å; E179-M182 WeakPolarHBondContact O-CB 3.41Å; E179-M182 PolarHBondContact O-N 3.19Å; E179-A183 WeakPolarHBondContact O-CB 3.33Å; E179-A183 PolarHBondContact O-N 3.21Å; E179-M240 HydrophobicContact CB-CE 4.49Å; E179-M240 HydrophobicContact CB-SD 3.92Å; E179-M240 HydrophobicContact CG-CG 4.32Å; E179-M240 HydrophobicContact CG-SD 4.18Å; E179-M240 VanDerWaalsContact O-CE 3.29Å; E179-M240 WeakPolarHBondContact O-CE 3.16Å |
| 180 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 174.9 | -63.5 | -58.6 | 0 | 0 | 0 | 111.3 | L154 Y155 L158 Y175 T176 H177 M182 A183 E184 L229 | L154-I180 HydrophobicContact CB-CG2 4.29Å; L154-I180 HydrophobicContact CD2-CG2 4.02Å; L154-I180 HydrophobicContact CG-CG2 3.95Å; Y155-I180 HydrophobicContact CD2-CB 4.08Å; Y155-I180 HydrophobicContact CD2-CG1 4.11Å; Y155-I180 HydrophobicContact CD2-CG2 4.27Å; L158-I180 HydrophobicContact CD1-CD1 4.02Å; L158-I180 HydrophobicContact CD1-CG2 4.08Å; Y175-I180 HydrophobicContact CG-CD1 4.07Å; T176-I180 WeakPolarHBondContact O-CG1 3.43Å; T176-I180 PolarHBondContact O-N 3.01Å; H177-I180 PolarHBondContact O-N 3.44Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.11Å; I180-A183 WeakPolarHBondContact O-CB 3.26Å; I180-A183 PolarHBondContact O-N 3.4Å; I180-E184 PolarHBondContact O-N 3.11Å; I180-L229 HydrophobicContact CD1-CD1 3.88Å; I180-L229 HydrophobicContact CD1-CD2 4.12Å |
| 181 | A | 97.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 53 Ų | 53 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | H177 E178 E184 G185 | H177-A181 WeakPolarHBondContact O-CB 3.3Å; H177-A181 PolarHBondContact O-N 3.04Å; E178-A181 PolarHBondContact O-N 2.92Å; A181-E184 PolarHBondContact O-N 2.9Å; A181-G185 PolarHBondContact O-N 3.14Å |
| 182 | M | 98 | Very high | 97.4 | Very high | 106 Ų | 106 | 53.3 Ų | 53.3 | 52% | 0.522 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 172.1 | -175.6 | -177.2 | -64.3 | 0 | 0 | 111.6 | E178 E179 I180 E184 G185 F186 M240 | E178-M182 WeakPolarHBondContact O-CB 3.17Å; E178-M182 PolarHBondContact O-N 3.48Å; E179-M182 WeakPolarHBondContact O-CB 3.41Å; E179-M182 PolarHBondContact O-N 3.19Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.11Å; M182-E184 VanDerWaalsContact C-N 3.34Å; M182-E184 PolarHBondContact O-N 3.06Å; M182-G185 PolarHBondContact O-N 2.94Å; M182-G185 VanDerWaalsContact O-N 3.15Å; M182-F186 HydrophobicContact CG-CE1 4.17Å; M182-F186 HydrophobicContact CG-CZ 3.96Å; M182-F186 HydrophobicContact SD-CZ 4.42Å; M182-M240 HydrophobicContact SD-CB 3.94Å; M182-M240 HydrophobicContact SD-CG 4.04Å |
| 183 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | E179 I180 G185 F186 L225 L229 M240 | E179-A183 WeakPolarHBondContact O-CB 3.33Å; E179-A183 PolarHBondContact O-N 3.21Å; I180-A183 WeakPolarHBondContact O-CB 3.26Å; I180-A183 PolarHBondContact O-N 3.4Å; A183-G185 PolarHBondContact O-N 3.3Å; A183-F186 VanDerWaalsContact O-CB 3.29Å; A183-F186 WeakPolarHBondContact O-CB 3.4Å; A183-F186 PolarHBondContact O-N 3.12Å; A183-L225 HydrophobicContact CB-CD1 4.14Å; A183-L225 HydrophobicContact CB-CD2 4.07Å; A183-L225 HydrophobicContact CB-CG 4.44Å; A183-L225 VanDerWaalsContact O-CD2 3.26Å; A183-L225 WeakPolarHBondContact O-CD2 3.29Å; A183-L229 HydrophobicContact CB-CD2 4.18Å; A183-M240 HydrophobicContact CB-CE 3.77Å |
| 184 | E | 98.3 | Very high | 97.4 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57 | -38 | 174.2 | -173.9 | 168.4 | -153 | 0 | 0 | 111.3 | L154 I180 A181 M182 F186 L187 | L154-E184 HydrophobicContact CB-CB 3.9Å; L154-E184 HydrophobicContact CB-CG 3.83Å; L154-E184 HydrophobicContact CD2-CB 3.82Å; L154-E184 HydrophobicContact CD2-CG 4.37Å; L154-E184 PolarHBondContact N-OE1 3Å; L154-E184 PolarHBondContact N-OE2 2.66Å; I180-E184 PolarHBondContact O-N 3.11Å; A181-E184 PolarHBondContact O-N 2.9Å; M182-E184 VanDerWaalsContact C-N 3.34Å; M182-E184 PolarHBondContact O-N 3.06Å; E184-F186 PolarHBondContact O-N 3.14Å; E184-F186 VanDerWaalsContact O-N 3.15Å; E184-L187 HydrophobicContact CG-CD1 4.17Å; E184-L187 WeakPolarHBondContact O-CB 3.36Å; E184-L187 WeakPolarHBondContact O-CG 3.41Å; E184-L187 PolarHBondContact O-N 3.19Å; E184-L187 VanDerWaalsContact O-N 3.15Å |
| 185 | G | 98 | Very high | 97.4 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A181 M182 A183 | A181-G185 PolarHBondContact O-N 3.14Å; M182-G185 PolarHBondContact O-N 2.94Å; M182-G185 VanDerWaalsContact O-N 3.15Å; A183-G185 PolarHBondContact O-N 3.3Å |
| 186 | F | 98.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -19.6 | 174.3 | -56 | -24.5 | 0 | 0 | 0 | 113.2 | M182 A183 E184 C188 L225 M240 V243 K244 Y247 | M182-F186 HydrophobicContact CG-CE1 4.17Å; M182-F186 HydrophobicContact CG-CZ 3.96Å; M182-F186 HydrophobicContact SD-CZ 4.42Å; A183-F186 VanDerWaalsContact O-CB 3.29Å; A183-F186 WeakPolarHBondContact O-CB 3.4Å; A183-F186 PolarHBondContact O-N 3.12Å; E184-F186 PolarHBondContact O-N 3.14Å; E184-F186 VanDerWaalsContact O-N 3.15Å; F186-C188 PolarHBondContact O-N 3.31Å; F186-L225 HydrophobicContact CD2-CD1 4.43Å; F186-M240 HydrophobicContact CE2-CE 3.94Å; F186-M240 HydrophobicContact CZ-CE 4.42Å; F186-V243 HydrophobicContact CD2-CG1 4.25Å; F186-V243 HydrophobicContact CE2-CB 4.46Å; F186-V243 HydrophobicContact CE2-CG1 4.22Å; F186-K244 HydrophobicContact CD1-CD 4.14Å; F186-K244 HydrophobicContact CD1-CG 4.29Å; F186-K244 HydrophobicContact CD2-CB 3.9Å; F186-K244 HydrophobicContact CD2-CG 4.25Å; F186-K244 HydrophobicContact CE1-CB 4.48Å; F186-K244 HydrophobicContact CE1-CD 4.12Å; F186-K244 HydrophobicContact CE1-CG 4.49Å; F186-K244 HydrophobicContact CE2-CB 3.77Å; F186-K244 HydrophobicContact CE2-CG 4.44Å; F186-K244 HydrophobicContact CG-CB 4.33Å; F186-K244 HydrophobicContact CG-CG 4.18Å; F186-K244 HydrophobicContact CZ-CB 4.08Å; F186-K244 HydrophobicContact CZ-CD 4.48Å; F186-Y247 HydrophobicContact CB-CD1 4.18Å; F186-Y247 HydrophobicContact CB-CE1 4.45Å; F186-Y247 WeakPolarHBondContact O-CE1 3.23Å |
| 187 | L | 98.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | trans | -58.3 | 129.8 | -176.5 | -64.9 | 172.4 | 0 | 0 | 0 | 110.9 | E184 P189 Q221 E222 L225 Y247 | E184-L187 HydrophobicContact CG-CD1 4.17Å; E184-L187 WeakPolarHBondContact O-CB 3.36Å; E184-L187 WeakPolarHBondContact O-CG 3.41Å; E184-L187 PolarHBondContact O-N 3.19Å; E184-L187 VanDerWaalsContact O-N 3.15Å; L187-P189 WeakPolarHBondContact O-CD 3.26Å; L187-Q221 HydrophobicContact CD2-CB 3.79Å; L187-Q221 WeakPolarHBondContact CD2-O 3.37Å; L187-E222 HydrophobicContact CD1-CG 4.36Å; L187-L225 HydrophobicContact CD1-CD2 4.43Å; L187-L225 HydrophobicContact CD2-CB 3.88Å; L187-L225 HydrophobicContact CD2-CD2 3.7Å; L187-L225 HydrophobicContact CD2-CG 4.39Å; L187-L225 HydrophobicContact CG-CD2 3.95Å; L187-Y247 HydrophobicContact CD2-CE2 4.24Å | ||
| 188 | C | 98.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | trans | -122.5 | 86.1 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 109 | F186 E190 R191 Y247 | F186-C188 PolarHBondContact O-N 3.31Å; C188-E190 PolarHBondContact O-N 2.83Å; C188-E190 VanDerWaalsContact O-N 3.13Å; C188-E190 PolarHBondContact SG-OE2 2.85Å; C188-R191 HydrophobicContact CB-CG 4.14Å; C188-R191 WeakPolarHBondContact O-CB 3.13Å; C188-R191 PolarHBondContact O-N 3.1Å; C188-Y247 PolarHBondContact N-OH 3.14Å | ||
| 189 | P | 95.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 29% | 0.292 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -56.1 | -27.1 | -178 | -27.6 | 37 | 0 | 0 | 0 | 114.6 | L187 R191 D192 | L187-P189 WeakPolarHBondContact O-CD 3.26Å; P189-R191 PolarHBondContact O-N 3.43Å; P189-D192 WeakPolarHBondContact O-CB 3.41Å; P189-D192 PolarHBondContact O-N 3.16Å |
| 190 | E | 96.3 | Very high | 97 | Very high | 112 Ų | 112 | 37.1 Ų | 37.1 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -61.2 | -24.3 | 178.5 | -59 | 72.5 | -155.9 | 0 | 0 | 111.8 | C188 D192 E193 | C188-E190 PolarHBondContact O-N 2.83Å; C188-E190 VanDerWaalsContact O-N 3.13Å; C188-E190 PolarHBondContact SG-OE2 2.85Å; E190-D192 PolarHBondContact O-N 2.99Å; E190-E193 WeakPolarHBondContact O-CB 3.37Å; E190-E193 WeakPolarHBondContact O-CG 3.46Å; E190-E193 PolarHBondContact O-N 2.96Å; E190-E193 VanDerWaalsContact O-N 3.1Å |
| 191 | R | 97.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -69.1 | -14.1 | 176.1 | -66.4 | 179.4 | -173.4 | 169.6 | 3.6 | 113.5 | C188 P189 E193 L194 D248 S251 | C188-R191 HydrophobicContact CB-CG 4.14Å; C188-R191 WeakPolarHBondContact O-CB 3.13Å; C188-R191 PolarHBondContact O-N 3.1Å; P189-R191 PolarHBondContact O-N 3.43Å; R191-E193 PolarHBondContact O-N 3.17Å; R191-L194 HydrophobicContact CB-CD1 4.22Å; R191-L194 HydrophobicContact CG-CD1 4.44Å; R191-L194 WeakPolarHBondContact O-CB 3.29Å; R191-L194 WeakPolarHBondContact O-CG 3.45Å; R191-L194 PolarHBondContact O-N 3.28Å; R191-L194 VanDerWaalsContact O-N 3.13Å; R191-D248 IonicContact CZ-OD1 2.81Å; R191-D248 VanDerWaalsContact CZ-OD1 3.25Å; R191-D248 IonicContact NH1-OD1 3.94Å; R191-D248 PolarHBondContact NH1-OD1 3.23Å; R191-D248 IonicContact NH2-OD1 3.85Å; R191-D248 PolarHBondContact NH2-OD1 2.77Å; R191-S251 PolarHBondContact NH1-OG 3.07Å |
| 192 | D | 98 | Very high | 96.5 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.3 | -18.6 | 170.1 | -68.3 | -16.5 | 0 | 0 | 0 | 112.1 | N135 P189 E190 L194 F195 Q221 | N135-D192 WeakPolarHBondContact ND2-CB 3.26Å; N135-D192 PolarHBondContact ND2-OD2 3.5Å; P189-D192 WeakPolarHBondContact O-CB 3.41Å; P189-D192 PolarHBondContact O-N 3.16Å; E190-D192 PolarHBondContact O-N 2.99Å; D192-L194 PolarHBondContact O-N 2.97Å; D192-F195 HydrophobicContact CB-CD2 4.38Å; D192-F195 VanDerWaalsContact O-CD2 3.32Å; D192-F195 WeakPolarHBondContact O-CD2 3.34Å; D192-F195 PolarHBondContact O-N 3.1Å; D192-Q221 WeakPolarHBondContact OD1-CG 3.44Å; D192-Q221 PolarHBondContact OD1-NE2 2.93Å |
| 193 | E | 96.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -74.4 | -10.1 | 177 | -58.6 | -175.3 | 155.6 | 0 | 0 | 113.4 | R75 R132 E190 R191 F195 | R75-E193 IonicContact CZ-OE1 3.39Å; R75-E193 IonicContact CZ-OE2 3.54Å; R75-E193 IonicContact NE-OE1 2.82Å; R75-E193 IonicContact NH1-OE1 3.36Å; R75-E193 PolarHBondContact NH1-OE1 3.3Å; R75-E193 IonicContact NH2-OE1 3.57Å; R75-E193 PolarHBondContact NH2-OE1 3.23Å; R75-E193 IonicContact NH2-OE2 3.12Å; R75-E193 PolarHBondContact NH2-OE2 2.88Å; R132-E193 IonicContact CZ-OE1 2.83Å; R132-E193 IonicContact NH1-OE1 2.7Å; R132-E193 IonicContact NH2-OE2 2.76Å; E190-E193 WeakPolarHBondContact O-CB 3.37Å; E190-E193 WeakPolarHBondContact O-CG 3.46Å; E190-E193 PolarHBondContact O-N 2.96Å; E190-E193 VanDerWaalsContact O-N 3.1Å; R191-E193 PolarHBondContact O-N 3.17Å; E193-F195 VanDerWaalsContact C-N 3.27Å |
| 194 | L | 96.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 44% | 0.44 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -75.8 | -16 | 174.1 | -59.9 | 175.8 | 0 | 0 | 0 | 112.4 | R191 D192 M253 | R191-L194 HydrophobicContact CB-CD1 4.22Å; R191-L194 HydrophobicContact CG-CD1 4.44Å; R191-L194 WeakPolarHBondContact O-CB 3.29Å; R191-L194 WeakPolarHBondContact O-CG 3.45Å; R191-L194 PolarHBondContact O-N 3.28Å; R191-L194 VanDerWaalsContact O-N 3.13Å; D192-L194 PolarHBondContact O-N 2.97Å; L194-M253 HydrophobicContact CB-CG 4.37Å |
| 195 | F | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | trans | -75.3 | 137.1 | -178.2 | -70.4 | -67.7 | 0 | 0 | 0 | 112.4 | F128 A131 D192 E193 L200 L203 P220 F224 M253 L688 | F128-F195 WeakPolarHBondContact CD1-O 3.22Å; A131-F195 HydrophobicContact CB-CB 4.5Å; A131-F195 WeakPolarHBondContact CB-O 3.32Å; D192-F195 HydrophobicContact CB-CD2 4.38Å; D192-F195 VanDerWaalsContact O-CD2 3.32Å; D192-F195 WeakPolarHBondContact O-CD2 3.34Å; D192-F195 PolarHBondContact O-N 3.1Å; E193-F195 VanDerWaalsContact C-N 3.27Å; F195-L200 HydrophobicContact CB-CB 3.88Å; F195-L200 HydrophobicContact CD2-CD1 4Å; F195-L200 HydrophobicContact CE2-CD1 4.3Å; F195-L200 HydrophobicContact CG-CB 4.16Å; F195-L200 HydrophobicContact CG-CD1 4.34Å; F195-L203 HydrophobicContact CE1-CD1 3.63Å; F195-L203 HydrophobicContact CZ-CD1 3.5Å; F195-L203 VanDerWaalsContact CZ-CD1 3.5Å; F195-P220 HydrophobicContact CE2-CB 3.68Å; F195-P220 HydrophobicContact CE2-CG 4.2Å; F195-P220 HydrophobicContact CZ-CB 3.96Å; F195-F224 AromaticContact CZ-CE2 3.84Å; F195-F224 HydrophobicContact CZ-CE2 3.84Å; F195-F224 HydrophobicContact CZ-CZ 4.08Å; F195-M253 HydrophobicContact CD1-CE 3.96Å; F195-M253 HydrophobicContact CE1-CE 3.25Å; F195-M253 HydrophobicContact CE1-SD 4.08Å; F195-M253 HydrophobicContact CE2-CE 3.9Å; F195-M253 HydrophobicContact CZ-CE 3.22Å; F195-L688 HydrophobicContact CE1-CD2 4.45Å | ||
| 196 | T | 95.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -75.9 | 157 | 155.8 | 63 | 0 | 0 | 0 | 0 | 109.5 | E127 F128 S198 G199 L200 | E127-T196 HydrophobicContact CG-CG2 3.96Å; E127-T196 WeakPolarHBondContact OE2-CG2 3.46Å; F128-T196 HydrophobicContact CD1-CG2 4.44Å; F128-T196 HydrophobicContact CE1-CG2 3.79Å; F128-T196 HydrophobicContact CE2-CG2 4.36Å; F128-T196 HydrophobicContact CZ-CG2 3.75Å; T196-S198 VanDerWaalsContact C-N 3.28Å; T196-S198 PolarHBondContact O-N 2.8Å; T196-S198 PolarHBondContact OG1-OG 3.42Å; T196-G199 PolarHBondContact O-N 2.8Å; T196-G199 PolarHBondContact OG1-N 2.89Å; T196-L200 PolarHBondContact O-N 3.3Å | ||
| 197 | Y | 95.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.9 | -46.3 | -179.4 | 171.6 | -102.9 | 0 | 0 | 0 | 112 | T112 V116 E127 A130 L134 G199 L200 D201 L712 | T112-Y197 HydrophobicContact CG2-CD2 4.06Å; T112-Y197 HydrophobicContact CG2-CE2 3.48Å; T112-Y197 VanDerWaalsContact CG2-CE2 3.48Å; V116-Y197 HydrophobicContact CG1-CD1 4.34Å; V116-Y197 HydrophobicContact CG1-CE1 4.23Å; V116-Y197 HydrophobicContact CG2-CD1 3.51Å; V116-Y197 HydrophobicContact CG2-CD2 3.88Å; V116-Y197 HydrophobicContact CG2-CE1 3.44Å; V116-Y197 VanDerWaalsContact CG2-CE1 3.44Å; V116-Y197 HydrophobicContact CG2-CE2 3.82Å; V116-Y197 HydrophobicContact CG2-CG 3.73Å; E127-Y197 VanDerWaalsContact O-CB 3.29Å; E127-Y197 WeakPolarHBondContact O-CB 3.27Å; E127-Y197 PolarHBondContact O-N 2.61Å; A130-Y197 HydrophobicContact CB-CD2 3.95Å; A130-Y197 HydrophobicContact CB-CG 4.02Å; L134-Y197 HydrophobicContact CB-CD2 4.2Å; L134-Y197 HydrophobicContact CB-CE2 4.14Å; L134-Y197 HydrophobicContact CD2-CD2 3.91Å; L134-Y197 HydrophobicContact CD2-CE2 3.68Å; L134-Y197 HydrophobicContact CG-CE2 4.37Å; Y197-G199 VanDerWaalsContact C-N 3.33Å; Y197-G199 PolarHBondContact O-N 2.82Å; Y197-L200 PolarHBondContact O-N 3.4Å; Y197-D201 VanDerWaalsContact O-CB 3.25Å; Y197-D201 WeakPolarHBondContact O-CB 3.47Å; Y197-D201 PolarHBondContact O-N 2.74Å; Y197-L712 HydrophobicContact CD1-CD2 4.25Å; Y197-L712 HydrophobicContact CE1-CD2 3.59Å |
| 198 | S | 92.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -33.2 | 179.7 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | T196 L202 R714 | T196-S198 VanDerWaalsContact C-N 3.28Å; T196-S198 PolarHBondContact O-N 2.8Å; T196-S198 PolarHBondContact OG1-OG 3.42Å; S198-L202 VanDerWaalsContact O-CB 3.24Å; S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 PolarHBondContact O-N 3.19Å; S198-L202 VanDerWaalsContact O-N 3.17Å; S198-R714 PolarHBondContact OG-NH1 3.21Å |
| 199 | G | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -49.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T196 Y197 L202 L203 I687 | T196-G199 PolarHBondContact O-N 2.8Å; T196-G199 PolarHBondContact OG1-N 2.89Å; Y197-G199 VanDerWaalsContact C-N 3.33Å; Y197-G199 PolarHBondContact O-N 2.82Å; G199-L202 PolarHBondContact O-N 3.37Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 PolarHBondContact O-N 3.36Å; G199-I687 WeakPolarHBondContact CA-O 3.39Å |
| 200 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -45.1 | 179.5 | -176.9 | 60.3 | 0 | 0 | 0 | 112.2 | A131 L134 N135 F195 T196 Y197 L202 L203 L204 P220 | A131-L200 HydrophobicContact CB-CD2 4.49Å; A131-L200 WeakPolarHBondContact O-CD2 3.19Å; L134-L200 HydrophobicContact CB-CD2 4.23Å; L134-L200 HydrophobicContact CD2-CB 4.34Å; L134-L200 HydrophobicContact CD2-CD2 4.01Å; L134-L200 HydrophobicContact CD2-CG 4.01Å; L134-L200 HydrophobicContact CG-CD2 4.08Å; L134-L200 HydrophobicContact CG-CG 4.5Å; N135-L200 HydrophobicContact CB-CD2 3.68Å; F195-L200 HydrophobicContact CB-CB 3.88Å; F195-L200 HydrophobicContact CD2-CD1 4Å; F195-L200 HydrophobicContact CE2-CD1 4.3Å; F195-L200 HydrophobicContact CG-CB 4.16Å; F195-L200 HydrophobicContact CG-CD1 4.34Å; T196-L200 PolarHBondContact O-N 3.3Å; Y197-L200 PolarHBondContact O-N 3.4Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.95Å; L200-L203 PolarHBondContact O-N 2.75Å; L200-L203 VanDerWaalsContact O-N 3.14Å; L200-L204 HydrophobicContact CD1-CD1 3.95Å; L200-L204 HydrophobicContact CD1-CD2 4.33Å; L200-L204 HydrophobicContact CD1-CG 3.88Å; L200-L204 HydrophobicContact CD2-CD1 4.47Å; L200-L204 HydrophobicContact CG-CD1 3.87Å; L200-L204 HydrophobicContact CG-CG 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.26Å; L200-L204 PolarHBondContact O-N 3.36Å; L200-P220 HydrophobicContact CD1-CG 3.83Å |
| 201 | D | 93.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 178.1 | -177.7 | 71.9 | 0 | 0 | 0 | 111.4 | L134 Y197 K205 | L134-D201 HydrophobicContact CD2-CB 4.12Å; Y197-D201 VanDerWaalsContact O-CB 3.25Å; Y197-D201 WeakPolarHBondContact O-CB 3.47Å; Y197-D201 PolarHBondContact O-N 2.74Å; D201-K205 WeakPolarHBondContact O-CB 3.49Å; D201-K205 VanDerWaalsContact O-CG 3.3Å; D201-K205 WeakPolarHBondContact O-CG 3.47Å; D201-K205 PolarHBondContact O-N 2.69Å; D201-K205 VanDerWaalsContact O-N 3.08Å; D201-K205 WeakPolarHBondContact OD1-CE 3.47Å; D201-K205 IonicContact OD1-NZ 2.73Å; D201-K205 PolarHBondContact OD1-NZ 3.45Å; D201-K205 WeakPolarHBondContact OD2-CD 3.3Å; D201-K205 WeakPolarHBondContact OD2-CE 3.48Å; D201-K205 IonicContact OD2-NZ 3.81Å; D201-K205 PolarHBondContact OD2-NZ 3.02Å |
| 202 | L | 92 | Very high | 94.4 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 174.7 | 176.1 | 63.2 | 0 | 0 | 0 | 111.6 | S198 G199 L200 K205 R206 Y207 I687 | S198-L202 VanDerWaalsContact O-CB 3.24Å; S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 PolarHBondContact O-N 3.19Å; S198-L202 VanDerWaalsContact O-N 3.17Å; G199-L202 PolarHBondContact O-N 3.37Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.95Å; L202-K205 PolarHBondContact O-N 2.86Å; L202-R206 HydrophobicContact CD1-CB 4.3Å; L202-R206 VanDerWaalsContact O-CB 3.26Å; L202-R206 WeakPolarHBondContact O-CB 3.4Å; L202-R206 PolarHBondContact O-N 3.48Å; L202-Y207 HydrophobicContact CD1-CE2 4.42Å; L202-Y207 HydrophobicContact CD2-CE2 4.36Å; L202-Y207 HydrophobicContact CG-CE2 4.02Å; L202-I687 HydrophobicContact CB-CG2 4.47Å; L202-I687 HydrophobicContact CD2-CB 4.07Å; L202-I687 HydrophobicContact CD2-CG2 3.66Å |
| 203 | L | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -51.7 | -180 | -174.5 | 150.5 | 0 | 0 | 0 | 111.7 | F195 G199 L200 K205 R206 Y207 V208 P220 M223 F224 L688 | F195-L203 HydrophobicContact CE1-CD1 3.63Å; F195-L203 HydrophobicContact CZ-CD1 3.5Å; F195-L203 VanDerWaalsContact CZ-CD1 3.5Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 PolarHBondContact O-N 3.36Å; L200-L203 PolarHBondContact O-N 2.75Å; L200-L203 VanDerWaalsContact O-N 3.14Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3Å; L203-R206 PolarHBondContact O-N 3.24Å; L203-Y207 PolarHBondContact O-N 2.85Å; L203-V208 HydrophobicContact CD2-CG1 3.49Å; L203-V208 VanDerWaalsContact CD2-CG1 3.49Å; L203-V208 PolarHBondContact O-N 3.37Å; L203-P220 HydrophobicContact CD1-CB 4.41Å; L203-P220 HydrophobicContact CD2-CB 3.82Å; L203-P220 HydrophobicContact CD2-CG 3.85Å; L203-M223 HydrophobicContact CD1-CE 3.67Å; L203-M223 HydrophobicContact CD1-SD 4.1Å; L203-M223 HydrophobicContact CD2-SD 4.12Å; L203-M223 HydrophobicContact CG-CE 4.19Å; L203-M223 HydrophobicContact CG-SD 3.93Å; L203-F224 HydrophobicContact CD1-CZ 4.18Å; L203-L688 HydrophobicContact CD1-CD1 4.02Å; L203-L688 HydrophobicContact CD1-CD2 4.49Å; L203-L688 HydrophobicContact CD1-CG 4.15Å; L203-L688 HydrophobicContact CG-CD1 4.5Å |
| 204 | L | 95.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | -178.1 | -66.5 | 177.8 | 0 | 0 | 0 | 112.7 | L134 F138 L200 V208 Q210 P220 | L134-L204 HydrophobicContact CD2-CD1 4.38Å; L134-L204 HydrophobicContact CG-CD1 4.34Å; F138-L204 HydrophobicContact CB-CD1 4.03Å; F138-L204 HydrophobicContact CD1-CD1 4.29Å; F138-L204 HydrophobicContact CD1-CD2 3.91Å; F138-L204 HydrophobicContact CD2-CD1 4.22Å; F138-L204 HydrophobicContact CD2-CD2 3.98Å; F138-L204 HydrophobicContact CE1-CD2 3.82Å; F138-L204 HydrophobicContact CE2-CD2 3.9Å; F138-L204 HydrophobicContact CG-CD1 3.87Å; F138-L204 HydrophobicContact CG-CD2 4Å; F138-L204 HydrophobicContact CZ-CD2 3.81Å; L200-L204 HydrophobicContact CD1-CD1 3.95Å; L200-L204 HydrophobicContact CD1-CD2 4.33Å; L200-L204 HydrophobicContact CD1-CG 3.88Å; L200-L204 HydrophobicContact CD2-CD1 4.47Å; L200-L204 HydrophobicContact CG-CD1 3.87Å; L200-L204 HydrophobicContact CG-CG 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.26Å; L200-L204 PolarHBondContact O-N 3.36Å; L204-V208 HydrophobicContact CD2-CG1 4.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.43Å; L204-Q210 PolarHBondContact O-NE2 3.12Å; L204-Q210 VanDerWaalsContact O-NE2 3.1Å; L204-P220 HydrophobicContact CD2-CG 4.26Å |
| 205 | K | 90 | Very high | 93.5 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 53% | 0.53 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -79.9 | -32.6 | 179 | -74.3 | 174.1 | 178.8 | 162.4 | 0 | 113.3 | D201 L202 L203 Q210 | D201-K205 WeakPolarHBondContact O-CB 3.49Å; D201-K205 VanDerWaalsContact O-CG 3.3Å; D201-K205 WeakPolarHBondContact O-CG 3.47Å; D201-K205 PolarHBondContact O-N 2.69Å; D201-K205 VanDerWaalsContact O-N 3.08Å; D201-K205 WeakPolarHBondContact OD1-CE 3.47Å; D201-K205 IonicContact OD1-NZ 2.73Å; D201-K205 PolarHBondContact OD1-NZ 3.45Å; D201-K205 WeakPolarHBondContact OD2-CD 3.3Å; D201-K205 WeakPolarHBondContact OD2-CE 3.48Å; D201-K205 IonicContact OD2-NZ 3.81Å; D201-K205 PolarHBondContact OD2-NZ 3.02Å; L202-K205 PolarHBondContact O-N 2.86Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3Å; K205-Q210 PolarHBondContact O-NE2 3.46Å; K205-Q210 VanDerWaalsContact O-NE2 3.09Å |
| 206 | R | 88 | Confident | 93.4 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -117.8 | -35.1 | -165.6 | -172.7 | 177.9 | -176.7 | 164.9 | 10.1 | 115.1 | L202 L203 R348 | L202-R206 HydrophobicContact CD1-CB 4.3Å; L202-R206 VanDerWaalsContact O-CB 3.26Å; L202-R206 WeakPolarHBondContact O-CB 3.4Å; L202-R206 PolarHBondContact O-N 3.48Å; L203-R206 PolarHBondContact O-N 3.24Å; R206-R348 VanDerWaalsContact NH2-NE 3.15Å |
| 207 | Y | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -39.6 | -164.8 | -70 | -86.4 | 0 | 0 | 0 | 113 | L202 L203 T259 M262 S263 R266 S684 L688 | L202-Y207 HydrophobicContact CD1-CE2 4.42Å; L202-Y207 HydrophobicContact CD2-CE2 4.36Å; L202-Y207 HydrophobicContact CG-CE2 4.02Å; L203-Y207 PolarHBondContact O-N 2.85Å; Y207-T259 HydrophobicContact CE1-CG2 4.15Å; Y207-M262 HydrophobicContact CD1-CB 3.6Å; Y207-M262 HydrophobicContact CE1-CB 3.56Å; Y207-S263 WeakPolarHBondContact CE1-OG 3.29Å; Y207-R266 PolarHBondContact O-NH2 2.73Å; Y207-S684 WeakPolarHBondContact OH-CB 3.01Å; Y207-S684 PolarHBondContact OH-OG 3.36Å; Y207-L688 HydrophobicContact CD2-CD1 4.18Å; Y207-L688 HydrophobicContact CE2-CD1 4.15Å; Y207-L688 HydrophobicContact CG-CD1 4.46Å |
| 208 | V | 96.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.9 | 156.1 | 179.8 | -59 | 0 | 0 | 0 | 0 | 112.5 | L203 L204 Q210 P216 E218 M223 | L203-V208 HydrophobicContact CD2-CG1 3.49Å; L203-V208 VanDerWaalsContact CD2-CG1 3.49Å; L203-V208 PolarHBondContact O-N 3.37Å; L204-V208 HydrophobicContact CD2-CG1 4.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.43Å; V208-Q210 HydrophobicContact CG2-CG 4.46Å; V208-Q210 PolarHBondContact O-N 3.43Å; V208-P216 HydrophobicContact CG2-CB 4Å; V208-E218 VanDerWaalsContact CA-OE2 3.29Å; V208-E218 WeakPolarHBondContact CA-OE2 3.44Å; V208-E218 HydrophobicContact CB-CB 4.22Å; V208-E218 WeakPolarHBondContact CB-O 3.31Å; V208-E218 WeakPolarHBondContact CG1-O 3.34Å; V208-M223 HydrophobicContact CG1-CB 4.37Å; V208-M223 HydrophobicContact CG1-CG 4.46Å; V208-M223 HydrophobicContact CG1-SD 4.22Å |
| 209 | I | 96.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | trans | -67.7 | 132 | 171.8 | -67.6 | 174.8 | 0 | 0 | 0 | 110.1 | L161 L166 Y167 L217 E218 R266 | L161-I209 HydrophobicContact CD1-CD1 4.4Å; L161-I209 HydrophobicContact CD1-CG2 4.38Å; L161-I209 HydrophobicContact CD2-CG2 4.11Å; L166-I209 HydrophobicContact CB-CG2 3.99Å; Y167-I209 HydrophobicContact CD2-CD1 3.19Å; Y167-I209 HydrophobicContact CE2-CD1 3.6Å; Y167-I209 HydrophobicContact CG-CD1 4.24Å; I209-L217 PolarHBondContact O-N 2.96Å; I209-E218 HydrophobicContact CB-CB 3.98Å; I209-E218 PolarHBondContact N-OE2 3.35Å; I209-R266 HydrophobicContact CD1-CG 3.96Å | ||
| 210 | Q | 94.5 | Very high | 93.8 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -121.1 | 150.1 | 177.6 | -66.9 | 174.1 | -9.5 | 0 | 0 | 110.1 | L204 K205 V208 V215 P216 | L204-Q210 PolarHBondContact O-NE2 3.12Å; L204-Q210 VanDerWaalsContact O-NE2 3.1Å; K205-Q210 PolarHBondContact O-NE2 3.46Å; K205-Q210 VanDerWaalsContact O-NE2 3.09Å; V208-Q210 HydrophobicContact CG2-CG 4.46Å; V208-Q210 PolarHBondContact O-N 3.43Å; Q210-V215 CarbonylContact C-O 2.84Å; Q210-V215 WeakPolarHBondContact CA-O 3.22Å; Q210-P216 HydrophobicContact CG-CB 4.45Å; Q210-P216 HydrophobicContact CG-CG 4.35Å |
| 211 | S | 93.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | trans | -62 | 167.5 | 166.6 | 78.1 | 0 | 0 | 0 | 0 | 110.8 | S213 R214 V215 | S211-S213 PolarHBondContact O-N 3.34Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S213 PolarHBondContact OG-N 2.95Å; S211-S213 VanDerWaalsContact OG-N 3.17Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S211-R214 WeakPolarHBondContact O-CA 3.34Å; S211-R214 PolarHBondContact O-N 2.97Å; S211-R214 PolarHBondContact OG-N 3.01Å; S211-V215 PolarHBondContact N-O 3.01Å; S211-V215 WeakPolarHBondContact OG-CB 3.49Å; S211-V215 PolarHBondContact OG-N 3.47Å | ||
| 212 | R | 89.8 | Confident | 94.1 | Very high | 223 Ų | 223 | 46.6 Ų | 46.6 | 84% | 0.842 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.7 | 172.4 | -62.6 | -173 | -176.7 | -174.9 | 1.4 | 113.3 | R214 | R212-R214 VanDerWaalsContact C-N 3.3Š|
| 213 | S | 90.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 45 Ų | 45 | 66% | 0.664 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 12.2 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | S211 V215 | S211-S213 PolarHBondContact O-N 3.34Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S213 PolarHBondContact OG-N 2.95Å; S211-S213 VanDerWaalsContact OG-N 3.17Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S213-V215 VanDerWaalsContact C-N 3.32Å; S213-V215 PolarHBondContact O-N 3.31Å |
| 214 | R | 89.1 | Confident | 94.6 | Very high | 197 Ų | 197 | 45.2 Ų | 45.2 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | trans | 65.7 | 26.2 | 179.5 | -54.8 | -175.2 | 177 | 177.8 | -0.5 | 115.1 | S211 R212 P216 | S211-R214 WeakPolarHBondContact O-CA 3.34Å; S211-R214 PolarHBondContact O-N 2.97Å; S211-R214 PolarHBondContact OG-N 3.01Å; R212-R214 VanDerWaalsContact C-N 3.3Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å | ||
| 215 | V | 92.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 26% | 0.255 | 21% | 0.205 | S | C | . | . | trans | -85.5 | 121.8 | 173 | -179.5 | 0 | 0 | 0 | 0 | 109 | E145 Q210 S211 S213 L217 | E145-V215 HydrophobicContact CG-CG1 3.9Å; Q210-V215 CarbonylContact C-O 2.84Å; Q210-V215 WeakPolarHBondContact CA-O 3.22Å; S211-V215 PolarHBondContact N-O 3.01Å; S211-V215 WeakPolarHBondContact OG-CB 3.49Å; S211-V215 PolarHBondContact OG-N 3.47Å; S213-V215 VanDerWaalsContact C-N 3.32Å; S213-V215 PolarHBondContact O-N 3.31Å; V215-L217 HydrophobicContact CG1-CD2 4.44Å; V215-L217 PolarHBondContact O-N 2.95Å | ||
| 216 | P | 94.9 | Very high | 95.2 | Very high | 34 Ų | 34 | 39 Ų | 39 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 121.4 | 176.7 | -22.7 | 35.8 | 0 | 0 | 0 | 112.5 | F138 N142 V208 Q210 R214 | F138-P216 HydrophobicContact CE2-CB 3.84Å; N142-P216 PolarHBondContact ND2-O 3.41Å; V208-P216 HydrophobicContact CG2-CB 4Å; Q210-P216 HydrophobicContact CG-CB 4.45Å; Q210-P216 HydrophobicContact CG-CG 4.35Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å |
| 217 | L | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -107.9 | -9.7 | -177.3 | -63.7 | 178.1 | 0 | 0 | 0 | 113.3 | N142 E145 W146 L161 L166 I209 V215 | N142-L217 VanDerWaalsContact ND2-C 3.28Å; N142-L217 PolarHBondContact ND2-O 3.1Å; E145-L217 HydrophobicContact CB-CD2 4.28Å; W146-L217 HydrophobicContact CZ2-CB 4.22Å; W146-L217 VanDerWaalsContact CZ2-O 3.31Å; W146-L217 WeakPolarHBondContact CZ2-O 3.5Å; W146-L217 PolarHBondContact NE1-O 3.42Å; L161-L217 HydrophobicContact CD2-CB 4.07Å; L161-L217 HydrophobicContact CD2-CD1 3.69Å; L166-L217 HydrophobicContact CD1-CD1 4.22Å; I209-L217 PolarHBondContact O-N 2.96Å; V215-L217 HydrophobicContact CG1-CD2 4.44Å; V215-L217 PolarHBondContact O-N 2.95Å | ||
| 218 | E | 96.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -118.1 | 131.6 | -177.4 | 177.6 | -175.4 | -121.1 | 0 | 0 | 109.8 | V208 I209 E222 M223 R266 | V208-E218 VanDerWaalsContact CA-OE2 3.29Å; V208-E218 WeakPolarHBondContact CA-OE2 3.44Å; V208-E218 HydrophobicContact CB-CB 4.22Å; V208-E218 WeakPolarHBondContact CB-O 3.31Å; V208-E218 WeakPolarHBondContact CG1-O 3.34Å; I209-E218 HydrophobicContact CB-CB 3.98Å; I209-E218 PolarHBondContact N-OE2 3.35Å; E218-E222 HydrophobicContact CG-CB 3.88Å; E218-M223 VanDerWaalsContact CD-CA 3.45Å; E218-M223 HydrophobicContact CG-CB 4.02Å; E218-M223 WeakPolarHBondContact OE1-CA 3.23Å; E218-R266 WeakPolarHBondContact OE1-CD 3.09Å; E218-R266 IonicContact OE1-CZ 3.33Å; E218-R266 IonicContact OE1-NE 3.19Å; E218-R266 PolarHBondContact OE1-NE 3.4Å; E218-R266 IonicContact OE1-NH2 3.84Å; E218-R266 IonicContact OE2-CZ 2.6Å; E218-R266 IonicContact OE2-NE 3.05Å; E218-R266 PolarHBondContact OE2-NE 2.93Å; E218-R266 IonicContact OE2-NH2 3.71Å; E218-R266 PolarHBondContact OE2-NH2 2.97Å |
| 219 | T | 97.6 | Very high | 96 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | trans | -76.4 | 160.2 | 173.4 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | F138 N142 Q221 E222 M223 | F138-T219 HydrophobicContact CE1-CG2 4.03Å; F138-T219 HydrophobicContact CZ-CG2 4.21Å; N142-T219 WeakPolarHBondContact OD1-CG2 3.38Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 2.71Å; T219-E222 WeakPolarHBondContact CB-OE2 3.49Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.49Å; T219-E222 PolarHBondContact N-OE2 3.12Å; T219-E222 PolarHBondContact O-N 3.21Å; T219-E222 WeakPolarHBondContact OG1-CB 3.49Å; T219-E222 WeakPolarHBondContact OG1-CG 3.26Å; T219-E222 PolarHBondContact OG1-N 3.38Å; T219-E222 PolarHBondContact OG1-OE2 2.99Å; T219-M223 WeakPolarHBondContact O-CB 3.21Å; T219-M223 PolarHBondContact O-N 3.46Å | ||
| 220 | P | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.9 | -40.8 | 176.9 | -23.4 | 31.2 | 0 | 0 | 0 | 113.3 | F195 L200 L203 L204 M223 F224 | F195-P220 HydrophobicContact CE2-CB 3.68Å; F195-P220 HydrophobicContact CE2-CG 4.2Å; F195-P220 HydrophobicContact CZ-CB 3.96Å; L200-P220 HydrophobicContact CD1-CG 3.83Å; L203-P220 HydrophobicContact CD1-CB 4.41Å; L203-P220 HydrophobicContact CD2-CB 3.82Å; L203-P220 HydrophobicContact CD2-CG 3.85Å; L204-P220 HydrophobicContact CD2-CG 4.26Å; P220-M223 VanDerWaalsContact O-CB 3.31Å; P220-M223 WeakPolarHBondContact O-CB 3.35Å; P220-M223 PolarHBondContact O-N 2.9Å; P220-F224 WeakPolarHBondContact O-CD2 3.39Å; P220-F224 PolarHBondContact O-N 2.83Å; P220-F224 VanDerWaalsContact O-N 3.1Å |
| 221 | Q | 98.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | 179 | -58.7 | -52.3 | -43.7 | 0 | 0 | 112.6 | L187 D192 T219 M223 F224 L225 Y247 S251 | L187-Q221 HydrophobicContact CD2-CB 3.79Å; L187-Q221 WeakPolarHBondContact CD2-O 3.37Å; D192-Q221 WeakPolarHBondContact OD1-CG 3.44Å; D192-Q221 PolarHBondContact OD1-NE2 2.93Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 2.71Å; Q221-M223 VanDerWaalsContact C-N 3.29Å; Q221-M223 PolarHBondContact O-N 3.33Å; Q221-F224 PolarHBondContact O-N 3.29Å; Q221-L225 WeakPolarHBondContact O-CB 3.31Å; Q221-L225 PolarHBondContact O-N 3.42Å; Q221-Y247 PolarHBondContact OE1-OH 3.3Å; Q221-S251 VanDerWaalsContact OE1-CB 3.24Å |
| 222 | E | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 172.3 | -72.3 | 167.1 | 146.3 | 0 | 0 | 111.7 | L154 R157 L187 E218 T219 L225 G226 | L154-E222 HydrophobicContact CD1-CG 4.21Å; R157-E222 IonicContact CZ-OE1 3.22Å; R157-E222 IonicContact NH1-OE1 2.75Å; R157-E222 PolarHBondContact NH1-OE1 3.25Å; L187-E222 HydrophobicContact CD1-CG 4.36Å; E218-E222 HydrophobicContact CG-CB 3.88Å; T219-E222 WeakPolarHBondContact CB-OE2 3.49Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.49Å; T219-E222 PolarHBondContact N-OE2 3.12Å; T219-E222 PolarHBondContact O-N 3.21Å; T219-E222 WeakPolarHBondContact OG1-CB 3.49Å; T219-E222 WeakPolarHBondContact OG1-CG 3.26Å; T219-E222 PolarHBondContact OG1-N 3.38Å; T219-E222 PolarHBondContact OG1-OE2 2.99Å; E222-L225 PolarHBondContact O-N 3.17Å; E222-G226 PolarHBondContact O-N 2.92Å |
| 223 | M | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.2 | -51.2 | 174.6 | -173.3 | -155.4 | 70.6 | 0 | 0 | 111.2 | L203 V208 E218 T219 P220 Q221 L225 G226 I227 M262 R266 | L203-M223 HydrophobicContact CD1-CE 3.67Å; L203-M223 HydrophobicContact CD1-SD 4.1Å; L203-M223 HydrophobicContact CD2-SD 4.12Å; L203-M223 HydrophobicContact CG-CE 4.19Å; L203-M223 HydrophobicContact CG-SD 3.93Å; V208-M223 HydrophobicContact CG1-CB 4.37Å; V208-M223 HydrophobicContact CG1-CG 4.46Å; V208-M223 HydrophobicContact CG1-SD 4.22Å; E218-M223 VanDerWaalsContact CD-CA 3.45Å; E218-M223 HydrophobicContact CG-CB 4.02Å; E218-M223 WeakPolarHBondContact OE1-CA 3.23Å; T219-M223 WeakPolarHBondContact O-CB 3.21Å; T219-M223 PolarHBondContact O-N 3.46Å; P220-M223 VanDerWaalsContact O-CB 3.31Å; P220-M223 WeakPolarHBondContact O-CB 3.35Å; P220-M223 PolarHBondContact O-N 2.9Å; Q221-M223 VanDerWaalsContact C-N 3.29Å; Q221-M223 PolarHBondContact O-N 3.33Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.36Å; M223-G226 PolarHBondContact O-N 3.07Å; M223-I227 HydrophobicContact CE-CD1 4.22Å; M223-I227 HydrophobicContact CG-CD1 4.22Å; M223-I227 WeakPolarHBondContact O-CD1 3.26Å; M223-I227 VanDerWaalsContact O-CG1 3.25Å; M223-I227 WeakPolarHBondContact O-CG1 3.26Å; M223-I227 PolarHBondContact O-N 3.36Å; M223-M262 HydrophobicContact CE-CE 3.7Å; M223-R266 VanDerWaalsContact CG-NH2 3.26Å |
| 224 | F | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 1% | 0.013 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 177.6 | -67.4 | -57.4 | 0 | 0 | 0 | 112.2 | F195 L203 P220 Q221 I227 A228 Y247 L250 M253 M262 L688 | F195-F224 AromaticContact CZ-CE2 3.84Å; F195-F224 HydrophobicContact CZ-CE2 3.84Å; F195-F224 HydrophobicContact CZ-CZ 4.08Å; L203-F224 HydrophobicContact CD1-CZ 4.18Å; P220-F224 WeakPolarHBondContact O-CD2 3.39Å; P220-F224 PolarHBondContact O-N 2.83Å; P220-F224 VanDerWaalsContact O-N 3.1Å; Q221-F224 PolarHBondContact O-N 3.29Å; F224-I227 PolarHBondContact O-N 2.6Å; F224-A228 WeakPolarHBondContact O-CB 3.12Å; F224-A228 PolarHBondContact O-N 3.2Å; F224-Y247 HydrophobicContact CB-CD2 3.89Å; F224-Y247 HydrophobicContact CB-CE2 4.01Å; F224-L250 HydrophobicContact CB-CB 4.4Å; F224-L250 HydrophobicContact CD1-CB 3.63Å; F224-L250 HydrophobicContact CE1-CB 4.2Å; F224-L250 HydrophobicContact CG-CB 4.25Å; F224-M253 HydrophobicContact CE2-CE 3.67Å; F224-M253 HydrophobicContact CZ-CE 3.59Å; F224-M253 HydrophobicContact CZ-SD 4.02Å; F224-M262 HydrophobicContact CD1-CE 4.38Å; F224-M262 HydrophobicContact CE1-CE 3.81Å; F224-L688 HydrophobicContact CZ-CD2 4.34Å |
| 225 | L | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.5 | -175.8 | 63.6 | 0 | 0 | 0 | 111.5 | L154 A183 F186 L187 Q221 E222 M223 I227 A228 L229 V243 Y247 | L154-L225 HydrophobicContact CD2-CD2 3.61Å; A183-L225 HydrophobicContact CB-CD1 4.14Å; A183-L225 HydrophobicContact CB-CD2 4.07Å; A183-L225 HydrophobicContact CB-CG 4.44Å; A183-L225 VanDerWaalsContact O-CD2 3.26Å; A183-L225 WeakPolarHBondContact O-CD2 3.29Å; F186-L225 HydrophobicContact CD2-CD1 4.43Å; L187-L225 HydrophobicContact CD1-CD2 4.43Å; L187-L225 HydrophobicContact CD2-CB 3.88Å; L187-L225 HydrophobicContact CD2-CD2 3.7Å; L187-L225 HydrophobicContact CD2-CG 4.39Å; L187-L225 HydrophobicContact CG-CD2 3.95Å; Q221-L225 WeakPolarHBondContact O-CB 3.31Å; Q221-L225 PolarHBondContact O-N 3.42Å; E222-L225 PolarHBondContact O-N 3.17Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.36Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 3.29Å; L225-A228 CarbonylContact O-C 3.55Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.07Å; L225-A228 VanDerWaalsContact O-N 3.12Å; L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.22Å; L225-L229 PolarHBondContact O-N 3.45Å; L225-V243 HydrophobicContact CD1-CG1 3.87Å; L225-Y247 HydrophobicContact CB-CD2 3.97Å; L225-Y247 HydrophobicContact CB-CE2 4.36Å; L225-Y247 HydrophobicContact CD1-CD2 4.28Å; L225-Y247 HydrophobicContact CD1-CG 4.28Å |
| 226 | G | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y167 E222 M223 H230 | Y167-G226 VanDerWaalsContact OH-CA 3.25Å; Y167-G226 WeakPolarHBondContact OH-CA 3.44Å; E222-G226 PolarHBondContact O-N 2.92Å; M223-G226 PolarHBondContact O-N 3.07Å; G226-H230 WeakPolarHBondContact O-CB 3.37Å; G226-H230 PolarHBondContact O-N 3.48Å |
| 227 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 169.9 | -65 | 162.8 | 0 | 0 | 0 | 110.2 | M223 F224 L225 H230 L231 L250 M262 A265 | M223-I227 HydrophobicContact CE-CD1 4.22Å; M223-I227 HydrophobicContact CG-CD1 4.22Å; M223-I227 WeakPolarHBondContact O-CD1 3.26Å; M223-I227 VanDerWaalsContact O-CG1 3.25Å; M223-I227 WeakPolarHBondContact O-CG1 3.26Å; M223-I227 PolarHBondContact O-N 3.36Å; F224-I227 PolarHBondContact O-N 2.6Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 3.29Å; I227-H230 WeakPolarHBondContact O-CB 3.32Å; I227-H230 PolarHBondContact O-N 3.13Å; I227-L231 HydrophobicContact CG2-CD1 3.82Å; I227-L231 HydrophobicContact CG2-CG 4.23Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 3.04Å; I227-L250 HydrophobicContact CB-CD1 4.31Å; I227-L250 HydrophobicContact CG2-CD1 3.78Å; I227-M262 HydrophobicContact CD1-CE 4.11Å; I227-M262 HydrophobicContact CD1-SD 3.92Å; I227-A265 HydrophobicContact CB-CB 4.48Å; I227-A265 HydrophobicContact CG1-CB 4.11Å; I227-A265 HydrophobicContact CG2-CB 4.32Å |
| 228 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F224 L225 H230 L231 A232 V243 F246 | F224-A228 WeakPolarHBondContact O-CB 3.12Å; F224-A228 PolarHBondContact O-N 3.2Å; L225-A228 CarbonylContact O-C 3.55Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.07Å; L225-A228 VanDerWaalsContact O-N 3.12Å; A228-H230 VanDerWaalsContact C-N 3.29Å; A228-H230 PolarHBondContact O-N 2.92Å; A228-L231 PolarHBondContact O-N 3.25Å; A228-A232 WeakPolarHBondContact O-CB 3.16Å; A228-A232 PolarHBondContact O-N 3.35Å; A228-V243 HydrophobicContact CB-CG1 4.31Å; A228-V243 WeakPolarHBondContact CB-O 3.25Å; A228-F246 HydrophobicContact CB-CB 3.73Å |
| 229 | L | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 171.4 | -73.8 | 169.2 | 0 | 0 | 0 | 110.5 | I171 Y175 I180 A183 L225 A232 M233 V243 | I171-L229 HydrophobicContact CG2-CB 4.47Å; Y175-L229 HydrophobicContact CD1-CD2 4.01Å; Y175-L229 HydrophobicContact CD2-CD2 4.06Å; Y175-L229 HydrophobicContact CE1-CD2 3.74Å; Y175-L229 HydrophobicContact CE2-CB 3.99Å; Y175-L229 HydrophobicContact CE2-CD2 3.82Å; Y175-L229 WeakPolarHBondContact CE2-O 3.39Å; Y175-L229 HydrophobicContact CG-CD2 4.15Å; Y175-L229 PolarHBondContact OH-O 3.31Å; I180-L229 HydrophobicContact CD1-CD1 3.88Å; I180-L229 HydrophobicContact CD1-CD2 4.12Å; A183-L229 HydrophobicContact CB-CD2 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.22Å; L225-L229 PolarHBondContact O-N 3.45Å; L229-A232 PolarHBondContact O-N 2.85Å; L229-M233 PolarHBondContact O-N 3.06Å; L229-V243 HydrophobicContact CD2-CG1 3.93Å; L229-V243 HydrophobicContact CD2-CG2 4.01Å; L229-V243 HydrophobicContact CG-CG1 4.26Å |
| 230 | H | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 177.5 | -167 | -167.6 | 0 | 0 | 0 | 111.7 | Y170 I171 G226 I227 A228 A232 M233 A265 R266 L565 | Y170-H230 AromaticContact CE2-CD2 3.46Å; Y170-H230 VanDerWaalsContact CE2-CD2 3.46Å; Y170-H230 WeakPolarHBondContact CE2-CD2 3.32Å; Y170-H230 AromaticContact CE2-CE1 3.94Å; Y170-H230 AromaticContact CE2-NE2 3.4Å; Y170-H230 WeakPolarHBondContact CE2-NE2 3.34Å; Y170-H230 AromaticContact CZ-CE1 3.89Å; Y170-H230 AromaticContact CZ-NE2 3.74Å; Y170-H230 PolarHBondContact OH-CE1 3.38Å; Y170-H230 PolarHBondContact OH-ND1 3.03Å; Y170-H230 PolarHBondContact OH-NE2 2.79Å; I171-H230 HydrophobicContact CD1-CB 3.81Å; G226-H230 WeakPolarHBondContact O-CB 3.37Å; G226-H230 PolarHBondContact O-N 3.48Å; I227-H230 WeakPolarHBondContact O-CB 3.32Å; I227-H230 PolarHBondContact O-N 3.13Å; A228-H230 VanDerWaalsContact C-N 3.29Å; A228-H230 PolarHBondContact O-N 2.92Å; H230-A232 VanDerWaalsContact C-N 3.29Å; H230-A232 PolarHBondContact O-N 2.99Å; H230-M233 VanDerWaalsContact O-CB 3.27Å; H230-M233 WeakPolarHBondContact O-CB 3.31Å; H230-M233 PolarHBondContact O-N 3.25Å; H230-A265 HydrophobicContact CB-CB 4.26Å; H230-A265 WeakPolarHBondContact ND1-CA 3.25Å; H230-A265 VanDerWaalsContact ND1-CB 3.33Å; H230-A265 WeakPolarHBondContact ND1-CB 3.22Å; H230-R266 PolarHBondContact ND1-N 2.97Å; H230-R266 VanDerWaalsContact ND1-N 3.19Å; H230-L565 WeakPolarHBondContact O-CD1 3.27Å |
| 231 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -29.2 | -178.3 | -69 | 173.9 | 0 | 0 | 0 | 113.5 | I227 A228 F246 M257 T261 A558 N561 V562 | I227-L231 HydrophobicContact CG2-CD1 3.82Å; I227-L231 HydrophobicContact CG2-CG 4.23Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 3.04Å; A228-L231 PolarHBondContact O-N 3.25Å; L231-F246 HydrophobicContact CB-CD2 3.7Å; L231-F246 HydrophobicContact CB-CE2 3.94Å; L231-F246 HydrophobicContact CB-CG 4.4Å; L231-M257 HydrophobicContact CD1-CE 4.37Å; L231-M257 HydrophobicContact CD1-CG 4.38Å; L231-M257 HydrophobicContact CD1-SD 4.43Å; L231-M257 HydrophobicContact CD2-CE 4.46Å; L231-T261 HydrophobicContact CD2-CG2 4.31Å; L231-A558 HydrophobicContact CD1-CB 4.23Å; L231-N561 WeakPolarHBondContact O-CB 3.3Å; L231-N561 PolarHBondContact O-ND2 3.5Å; L231-V562 HydrophobicContact CD2-CG2 3.59Å |
| 232 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -94.4 | 0.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A228 L229 H230 N234 E235 R239 W242 V243 F246 | A228-A232 WeakPolarHBondContact O-CB 3.16Å; A228-A232 PolarHBondContact O-N 3.35Å; L229-A232 PolarHBondContact O-N 2.85Å; H230-A232 VanDerWaalsContact C-N 3.29Å; H230-A232 PolarHBondContact O-N 2.99Å; A232-N234 PolarHBondContact O-N 3.2Å; A232-N234 VanDerWaalsContact O-N 3.1Å; A232-E235 HydrophobicContact CB-CG 4.18Å; A232-E235 VanDerWaalsContact O-CB 3.28Å; A232-E235 WeakPolarHBondContact O-CB 3.31Å; A232-E235 WeakPolarHBondContact O-CG 3.31Å; A232-E235 PolarHBondContact O-N 2.92Å; A232-R239 WeakPolarHBondContact O-CG 3.18Å; A232-W242 HydrophobicContact CB-CB 4.16Å; A232-V243 HydrophobicContact CB-CB 4.44Å; A232-V243 HydrophobicContact CB-CG2 3.53Å; A232-F246 HydrophobicContact CB-CD2 3.9Å; A232-F246 HydrophobicContact CB-CE2 3.82Å |
| 233 | M | 96.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -37.4 | -169.5 | -174.8 | 166.7 | 61.8 | 0 | 0 | 113.9 | Y170 I171 H174 Y175 L229 H230 L565 | Y170-M233 HydrophobicContact CD2-CE 3.8Å; Y170-M233 HydrophobicContact CD2-SD 3.63Å; Y170-M233 HydrophobicContact CE2-CE 4.24Å; Y170-M233 HydrophobicContact CE2-SD 4.32Å; I171-M233 HydrophobicContact CD1-SD 4.42Å; H174-M233 HydrophobicContact CB-CG 3.51Å; H174-M233 HydrophobicContact CB-SD 3.92Å; H174-M233 VanDerWaalsContact CD2-CG 3.46Å; H174-M233 WeakPolarHBondContact CD2-CG 3.43Å; H174-M233 PolarHBondContact ND1-SD 3.22Å; Y175-M233 PolarHBondContact OH-N 3.33Å; L229-M233 PolarHBondContact O-N 3.06Å; H230-M233 VanDerWaalsContact O-CB 3.27Å; H230-M233 WeakPolarHBondContact O-CB 3.31Å; H230-M233 PolarHBondContact O-N 3.25Å; M233-L565 HydrophobicContact CB-CD2 4.26Å; M233-L565 HydrophobicContact CE-CD2 3.45Å; M233-L565 VanDerWaalsContact CE-CD2 3.45Å |
| 234 | N | 94.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 28.7 Ų | 28.7 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 8.2 | -179 | -67.5 | -12.2 | 0 | 0 | 0 | 113.7 | A232 G236 L565 | A232-N234 PolarHBondContact O-N 3.2Å; A232-N234 VanDerWaalsContact O-N 3.1Å; N234-G236 PolarHBondContact O-N 3.36Å; N234-L565 WeakPolarHBondContact ND2-CD2 3.48Å |
| 235 | E | 96.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -70.5 | 125.7 | 175.8 | -66.6 | -62.8 | 146.4 | 0 | 0 | 110.3 | A232 R239 W242 R557 N561 K632 | A232-E235 HydrophobicContact CB-CG 4.18Å; A232-E235 VanDerWaalsContact O-CB 3.28Å; A232-E235 WeakPolarHBondContact O-CB 3.31Å; A232-E235 WeakPolarHBondContact O-CG 3.31Å; A232-E235 PolarHBondContact O-N 2.92Å; E235-R239 HydrophobicContact CB-CB 4.22Å; E235-R239 HydrophobicContact CB-CG 4.22Å; E235-R239 PolarHBondContact O-NE 2.94Å; E235-R239 PolarHBondContact O-NH2 2.85Å; E235-W242 HydrophobicContact CG-CB 4.07Å; E235-W242 HydrophobicContact CG-CG 4.04Å; E235-R557 WeakPolarHBondContact OE1-CD 3.34Å; E235-R557 IonicContact OE1-NH1 2.86Å; E235-R557 PolarHBondContact OE1-NH1 2.92Å; E235-R557 IonicContact OE2-CZ 3.82Å; E235-R557 IonicContact OE2-NH1 3.9Å; E235-R557 PolarHBondContact OE2-NH1 3.34Å; E235-N561 PolarHBondContact OE1-ND2 2.87Å; E235-N561 PolarHBondContact OE1-OD1 3.37Å; E235-K632 IonicContact OE1-NZ 2.66Å; E235-K632 PolarHBondContact OE1-NZ 3.13Å; E235-K632 IonicContact OE2-NZ 2.98Å | ||
| 236 | G | 85.4 | Confident | 96.6 | Very high | 80 Ų | 80 | 31.8 Ų | 31.8 | 83% | 0.825 | 18% | 0.183 | S | C | * | . | trans | -90.4 | -32 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N234 | N234-G236 PolarHBondContact O-N 3.36Š| ||
| 237 | S | 87.4 | Confident | 96.6 | Very high | 74 Ų | 74 | 31.6 Ų | 31.6 | 52% | 0.517 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -119.2 | 137.2 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | R239 | S237-R239 VanDerWaalsContact C-N 3.27Å; S237-R239 PolarHBondContact O-N 3.3Å |
| 238 | D | 92.3 | Very high | 96.6 | Very high | 120 Ų | 120 | 32.5 Ų | 32.5 | 64% | 0.642 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 48.5 | 44 | 179.6 | -168.2 | 25.5 | 0 | 0 | 0 | 114.3 | M240 G241 W242 | D238-M240 VanDerWaalsContact C-N 3.26Å; D238-M240 PolarHBondContact O-N 2.76Å; D238-G241 WeakPolarHBondContact O-CA 3.36Å; D238-G241 PolarHBondContact O-N 2.67Å; D238-G241 WeakPolarHBondContact OD1-CA 3.35Å; D238-G241 PolarHBondContact OD1-N 3.36Å; D238-G241 VanDerWaalsContact OD1-N 3.13Å; D238-W242 VanDerWaalsContact O-CD1 3.32Å; D238-W242 PolarHBondContact O-N 2.75Å |
| 239 | R | 96.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 25% | 0.253 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -50.9 | -46 | -179.1 | -178 | -179.3 | -58.7 | 176 | -0.9 | 112.2 | H174 Y175 A232 E235 S237 W242 V243 | H174-R239 PolarHBondContact O-NH1 3.08Å; Y175-R239 HydrophobicContact CE1-CG 3.89Å; A232-R239 WeakPolarHBondContact O-CG 3.18Å; E235-R239 HydrophobicContact CB-CB 4.22Å; E235-R239 HydrophobicContact CB-CG 4.22Å; E235-R239 PolarHBondContact O-NE 2.94Å; E235-R239 PolarHBondContact O-NH2 2.85Å; S237-R239 VanDerWaalsContact C-N 3.27Å; S237-R239 PolarHBondContact O-N 3.3Å; R239-W242 WeakPolarHBondContact O-CB 3.07Å; R239-W242 PolarHBondContact O-N 2.94Å; R239-V243 WeakPolarHBondContact O-CG2 3.45Å; R239-V243 PolarHBondContact O-N 2.81Å |
| 240 | M | 98 | Very high | 96.6 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -31.7 | -179.5 | -62.7 | -47.3 | -60.8 | 0 | 0 | 112.8 | Y175 E179 M182 A183 F186 D238 W242 V243 K244 | Y175-M240 HydrophobicContact CD1-SD 4.02Å; Y175-M240 HydrophobicContact CE1-SD 3.78Å; E179-M240 HydrophobicContact CB-CE 4.49Å; E179-M240 HydrophobicContact CB-SD 3.92Å; E179-M240 HydrophobicContact CG-CG 4.32Å; E179-M240 HydrophobicContact CG-SD 4.18Å; E179-M240 VanDerWaalsContact O-CE 3.29Å; E179-M240 WeakPolarHBondContact O-CE 3.16Å; M182-M240 HydrophobicContact SD-CB 3.94Å; M182-M240 HydrophobicContact SD-CG 4.04Å; A183-M240 HydrophobicContact CB-CE 3.77Å; F186-M240 HydrophobicContact CE2-CE 3.94Å; F186-M240 HydrophobicContact CZ-CE 4.42Å; D238-M240 VanDerWaalsContact C-N 3.26Å; D238-M240 PolarHBondContact O-N 2.76Å; M240-W242 VanDerWaalsContact C-N 3.34Å; M240-V243 HydrophobicContact CE-CB 4.29Å; M240-V243 HydrophobicContact CE-CG1 4.32Å; M240-V243 HydrophobicContact CE-CG2 4.31Å; M240-V243 PolarHBondContact O-N 2.82Å; M240-V243 HydrophobicContact SD-CG2 4.19Å; M240-K244 PolarHBondContact O-N 2.86Å |
| 241 | G | 98.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D238 K244 R245 | D238-G241 WeakPolarHBondContact O-CA 3.36Å; D238-G241 PolarHBondContact O-N 2.67Å; D238-G241 WeakPolarHBondContact OD1-CA 3.35Å; D238-G241 PolarHBondContact OD1-N 3.36Å; D238-G241 VanDerWaalsContact OD1-N 3.13Å; G241-K244 PolarHBondContact O-N 3.1Å; G241-R245 PolarHBondContact O-N 2.76Å |
| 242 | W | 98.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 37 Ų | 37 | 9% | 0.087 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 174.1 | -72.7 | 115.1 | 0 | 0 | 0 | 113.3 | A232 E235 D238 R239 M240 K244 R245 F246 R557 | A232-W242 HydrophobicContact CB-CB 4.16Å; E235-W242 HydrophobicContact CG-CB 4.07Å; E235-W242 HydrophobicContact CG-CG 4.04Å; D238-W242 VanDerWaalsContact O-CD1 3.32Å; D238-W242 PolarHBondContact O-N 2.75Å; R239-W242 WeakPolarHBondContact O-CB 3.07Å; R239-W242 PolarHBondContact O-N 2.94Å; M240-W242 VanDerWaalsContact C-N 3.34Å; W242-K244 PolarHBondContact O-N 3.16Å; W242-R245 HydrophobicContact CE3-CB 4.45Å; W242-R245 VanDerWaalsContact CZ3-CZ 3.5Å; W242-R245 PolarHBondContact O-N 3.23Å; W242-R245 VanDerWaalsContact O-N 3.16Å; W242-F246 HydrophobicContact CB-CE2 4.22Å; W242-F246 HydrophobicContact CE3-CE1 4.19Å; W242-F246 HydrophobicContact CE3-CZ 4.17Å; W242-F246 WeakPolarHBondContact O-CD2 3.16Å; W242-F246 WeakPolarHBondContact O-CG 3.44Å; W242-F246 PolarHBondContact O-N 2.89Å; W242-R557 VanDerWaalsContact CZ2-CZ 3.48Å; W242-R557 HydrophobicContact CZ3-CB 4.46Å |
| 243 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.2 | -48 | 171.6 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | Y175 F186 L225 A228 L229 A232 R239 M240 F246 Y247 | Y175-V243 HydrophobicContact CE1-CG2 4.1Å; Y175-V243 WeakPolarHBondContact OH-CG2 3.45Å; F186-V243 HydrophobicContact CD2-CG1 4.25Å; F186-V243 HydrophobicContact CE2-CB 4.46Å; F186-V243 HydrophobicContact CE2-CG1 4.22Å; L225-V243 HydrophobicContact CD1-CG1 3.87Å; A228-V243 HydrophobicContact CB-CG1 4.31Å; A228-V243 WeakPolarHBondContact CB-O 3.25Å; L229-V243 HydrophobicContact CD2-CG1 3.93Å; L229-V243 HydrophobicContact CD2-CG2 4.01Å; L229-V243 HydrophobicContact CG-CG1 4.26Å; A232-V243 HydrophobicContact CB-CB 4.44Å; A232-V243 HydrophobicContact CB-CG2 3.53Å; R239-V243 WeakPolarHBondContact O-CG2 3.45Å; R239-V243 PolarHBondContact O-N 2.81Å; M240-V243 HydrophobicContact CE-CB 4.29Å; M240-V243 HydrophobicContact CE-CG1 4.32Å; M240-V243 HydrophobicContact CE-CG2 4.31Å; M240-V243 PolarHBondContact O-N 2.82Å; M240-V243 HydrophobicContact SD-CG2 4.19Å; V243-F246 PolarHBondContact O-N 2.73Å; V243-Y247 VanDerWaalsContact O-CB 3.28Å; V243-Y247 WeakPolarHBondContact O-CB 3.34Å; V243-Y247 PolarHBondContact O-N 3.46Å |
| 244 | K | 98.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 179 | -170.6 | 178.5 | -177.2 | -61 | 0 | 112.6 | F186 M240 G241 W242 Y247 D248 | F186-K244 HydrophobicContact CD1-CD 4.14Å; F186-K244 HydrophobicContact CD1-CG 4.29Å; F186-K244 HydrophobicContact CD2-CB 3.9Å; F186-K244 HydrophobicContact CD2-CG 4.25Å; F186-K244 HydrophobicContact CE1-CB 4.48Å; F186-K244 HydrophobicContact CE1-CD 4.12Å; F186-K244 HydrophobicContact CE1-CG 4.49Å; F186-K244 HydrophobicContact CE2-CB 3.77Å; F186-K244 HydrophobicContact CE2-CG 4.44Å; F186-K244 HydrophobicContact CG-CB 4.33Å; F186-K244 HydrophobicContact CG-CG 4.18Å; F186-K244 HydrophobicContact CZ-CB 4.08Å; F186-K244 HydrophobicContact CZ-CD 4.48Å; M240-K244 PolarHBondContact O-N 2.86Å; G241-K244 PolarHBondContact O-N 3.1Å; W242-K244 PolarHBondContact O-N 3.16Å; K244-Y247 PolarHBondContact O-N 3.3Å; K244-D248 IonicContact NZ-OD2 2.77Å; K244-D248 PolarHBondContact NZ-OD2 3.33Å; K244-D248 WeakPolarHBondContact O-CB 3.34Å; K244-D248 PolarHBondContact O-N 3.13Å |
| 245 | R | 98.7 | Very high | 96.8 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 26% | 0.26 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -45.8 | 177.9 | -74.2 | -177.5 | 68.1 | 168.6 | 10.1 | 112.1 | G241 W242 D248 M249 R550 E553 T554 | G241-R245 PolarHBondContact O-N 2.76Å; W242-R245 HydrophobicContact CE3-CB 4.45Å; W242-R245 VanDerWaalsContact CZ3-CZ 3.5Å; W242-R245 PolarHBondContact O-N 3.23Å; W242-R245 VanDerWaalsContact O-N 3.16Å; R245-D248 PolarHBondContact O-N 3.2Å; R245-M249 PolarHBondContact O-N 3.02Å; R245-M249 VanDerWaalsContact O-N 3.1Å; R245-R550 PolarHBondContact NH2-O 2.67Å; R245-E553 IonicContact CZ-OE1 3.98Å; R245-E553 IonicContact CZ-OE2 3.05Å; R245-E553 IonicContact NH1-OE1 3.69Å; R245-E553 PolarHBondContact NH1-OE1 2.86Å; R245-E553 IonicContact NH1-OE2 2.66Å; R245-E553 VanDerWaalsContact NH2-CD 3.27Å; R245-E553 IonicContact NH2-OE1 2.67Å; R245-E553 IonicContact NH2-OE2 2.81Å; R245-E553 PolarHBondContact NH2-OE2 2.92Å; R245-T554 HydrophobicContact CB-CG2 3.78Å; R245-T554 VanDerWaalsContact CZ-OG1 3.27Å; R245-T554 PolarHBondContact NE-OG1 2.97Å; R245-T554 PolarHBondContact NH2-OG1 2.87Å |
| 246 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 177.4 | -62.6 | -29.3 | 0 | 0 | 0 | 111.3 | A228 L231 A232 W242 V243 D248 M249 L250 T554 R557 A558 | A228-F246 HydrophobicContact CB-CB 3.73Å; L231-F246 HydrophobicContact CB-CD2 3.7Å; L231-F246 HydrophobicContact CB-CE2 3.94Å; L231-F246 HydrophobicContact CB-CG 4.4Å; A232-F246 HydrophobicContact CB-CD2 3.9Å; A232-F246 HydrophobicContact CB-CE2 3.82Å; W242-F246 HydrophobicContact CB-CE2 4.22Å; W242-F246 HydrophobicContact CE3-CE1 4.19Å; W242-F246 HydrophobicContact CE3-CZ 4.17Å; W242-F246 WeakPolarHBondContact O-CD2 3.16Å; W242-F246 WeakPolarHBondContact O-CG 3.44Å; W242-F246 PolarHBondContact O-N 2.89Å; V243-F246 PolarHBondContact O-N 2.73Å; F246-D248 PolarHBondContact O-N 2.73Å; F246-M249 HydrophobicContact CD1-CE 3.92Å; F246-M249 WeakPolarHBondContact O-CG 3.23Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 WeakPolarHBondContact O-CD1 3.37Å; F246-L250 WeakPolarHBondContact O-CG 3.22Å; F246-L250 PolarHBondContact O-N 3.44Å; F246-T554 HydrophobicContact CD1-CG2 3.58Å; F246-T554 HydrophobicContact CE1-CG2 3.86Å; F246-T554 WeakPolarHBondContact CE1-O 3.47Å; F246-R557 HydrophobicContact CZ-CB 4.47Å; F246-R557 HydrophobicContact CZ-CG 4.1Å; F246-A558 HydrophobicContact CD1-CB 3.94Å; F246-A558 HydrophobicContact CE1-CB 3.68Å; F246-A558 HydrophobicContact CZ-CB 4.21Å |
| 247 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 174.8 | 169.5 | -103 | 0 | 0 | 0 | 111.6 | F186 L187 C188 Q221 F224 L225 V243 K244 L250 S251 | F186-Y247 HydrophobicContact CB-CD1 4.18Å; F186-Y247 HydrophobicContact CB-CE1 4.45Å; F186-Y247 WeakPolarHBondContact O-CE1 3.23Å; L187-Y247 HydrophobicContact CD2-CE2 4.24Å; C188-Y247 PolarHBondContact N-OH 3.14Å; Q221-Y247 PolarHBondContact OE1-OH 3.3Å; F224-Y247 HydrophobicContact CB-CD2 3.89Å; F224-Y247 HydrophobicContact CB-CE2 4.01Å; L225-Y247 HydrophobicContact CB-CD2 3.97Å; L225-Y247 HydrophobicContact CB-CE2 4.36Å; L225-Y247 HydrophobicContact CD1-CD2 4.28Å; L225-Y247 HydrophobicContact CD1-CG 4.28Å; V243-Y247 VanDerWaalsContact O-CB 3.28Å; V243-Y247 WeakPolarHBondContact O-CB 3.34Å; V243-Y247 PolarHBondContact O-N 3.46Å; K244-Y247 PolarHBondContact O-N 3.3Å; Y247-L250 PolarHBondContact O-N 2.89Å; Y247-S251 VanDerWaalsContact O-CB 3.31Å; Y247-S251 WeakPolarHBondContact O-CB 3.14Å; Y247-S251 PolarHBondContact O-N 2.89Å; Y247-S251 PolarHBondContact O-OG 3.26Å |
| 248 | D | 98.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | -177.3 | -83.4 | -32.4 | 0 | 0 | 0 | 112.1 | R191 K244 R245 F246 L250 R252 | R191-D248 IonicContact CZ-OD1 2.81Å; R191-D248 VanDerWaalsContact CZ-OD1 3.25Å; R191-D248 IonicContact NH1-OD1 3.94Å; R191-D248 PolarHBondContact NH1-OD1 3.23Å; R191-D248 IonicContact NH2-OD1 3.85Å; R191-D248 PolarHBondContact NH2-OD1 2.77Å; K244-D248 IonicContact NZ-OD2 2.77Å; K244-D248 PolarHBondContact NZ-OD2 3.33Å; K244-D248 WeakPolarHBondContact O-CB 3.34Å; K244-D248 PolarHBondContact O-N 3.13Å; R245-D248 PolarHBondContact O-N 3.2Å; F246-D248 PolarHBondContact O-N 2.73Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.3Å; D248-R252 VanDerWaalsContact O-CB 3.29Å; D248-R252 WeakPolarHBondContact O-CB 3.42Å; D248-R252 WeakPolarHBondContact O-CG 3.5Å; D248-R252 PolarHBondContact O-N 3.24Å; D248-R252 VanDerWaalsContact O-N 3.09Å; D248-R252 IonicContact OD1-NH2 2.62Å |
| 249 | M | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -33.4 | -179.1 | 72.6 | 174 | -173.5 | 0 | 0 | 112.8 | R245 F246 E254 V255 M257 T554 A555 A558 | R245-M249 PolarHBondContact O-N 3.02Å; R245-M249 VanDerWaalsContact O-N 3.1Å; F246-M249 HydrophobicContact CD1-CE 3.92Å; F246-M249 WeakPolarHBondContact O-CG 3.23Å; M249-E254 WeakPolarHBondContact O-CB 3.35Å; M249-E254 PolarHBondContact O-N 2.98Å; M249-E254 VanDerWaalsContact O-N 3.12Å; M249-V255 HydrophobicContact CB-CB 4.29Å; M249-V255 HydrophobicContact CB-CG2 4.07Å; M249-V255 HydrophobicContact CE-CG1 4.43Å; M249-V255 HydrophobicContact CG-CB 4.13Å; M249-V255 HydrophobicContact CG-CG2 4.27Å; M249-V255 PolarHBondContact O-N 2.91Å; M249-V255 VanDerWaalsContact O-N 3.09Å; M249-V255 HydrophobicContact SD-CB 3.97Å; M249-V255 HydrophobicContact SD-CG1 4.25Å; M249-V255 HydrophobicContact SD-CG2 3.91Å; M249-M257 HydrophobicContact CE-SD 4.47Å; M249-T554 HydrophobicContact CE-CG2 4.23Å; M249-T554 HydrophobicContact CG-CG2 4.32Å; M249-T554 HydrophobicContact SD-CG2 3.47Å; M249-T554 WeakPolarHBondContact SD-CG2 3.5Å; M249-A555 HydrophobicContact SD-CB 4.47Å; M249-A558 HydrophobicContact CE-CB 3.81Å |
| 250 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -77.3 | -49.5 | -179.5 | -64.8 | 174.3 | 0 | 0 | 0 | 111.3 | F224 I227 F246 Y247 D248 R252 M253 V255 M257 | F224-L250 HydrophobicContact CB-CB 4.4Å; F224-L250 HydrophobicContact CD1-CB 3.63Å; F224-L250 HydrophobicContact CE1-CB 4.2Å; F224-L250 HydrophobicContact CG-CB 4.25Å; I227-L250 HydrophobicContact CB-CD1 4.31Å; I227-L250 HydrophobicContact CG2-CD1 3.78Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 WeakPolarHBondContact O-CD1 3.37Å; F246-L250 WeakPolarHBondContact O-CG 3.22Å; F246-L250 PolarHBondContact O-N 3.44Å; Y247-L250 PolarHBondContact O-N 2.89Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.3Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 2.99Å; L250-M253 PolarHBondContact O-N 3.1Å; L250-V255 WeakPolarHBondContact CD2-O 2.77Å; L250-M257 HydrophobicContact CD2-CG 3.85Å; L250-M257 HydrophobicContact CD2-SD 4.4Å |
| 251 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.6 | -20.8 | -177 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | R191 Q221 Y247 M253 | R191-S251 PolarHBondContact NH1-OG 3.07Å; Q221-S251 VanDerWaalsContact OE1-CB 3.24Å; Y247-S251 VanDerWaalsContact O-CB 3.31Å; Y247-S251 WeakPolarHBondContact O-CB 3.14Å; Y247-S251 PolarHBondContact O-N 2.89Å; Y247-S251 PolarHBondContact O-OG 3.26Å; S251-M253 VanDerWaalsContact C-N 3.27Å |
| 252 | R | 98.3 | Very high | 97 | Very high | 89 Ų | 89 | 17.4 Ų | 17.4 | 34% | 0.336 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.1 | 169.8 | -67.8 | 175.7 | -175.7 | 165.5 | 3 | 113.7 | D248 L250 E254 Y547 | D248-R252 VanDerWaalsContact O-CB 3.29Å; D248-R252 WeakPolarHBondContact O-CB 3.42Å; D248-R252 WeakPolarHBondContact O-CG 3.5Å; D248-R252 PolarHBondContact O-N 3.24Å; D248-R252 VanDerWaalsContact O-N 3.09Å; D248-R252 IonicContact OD1-NH2 2.62Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 2.99Å; R252-E254 HydrophobicContact CB-CG 3.83Å; R252-E254 WeakPolarHBondContact CD-OE1 3.38Å; R252-E254 PolarHBondContact O-N 2.8Å; R252-Y547 PolarHBondContact NH1-OH 2.86Å |
| 253 | M | 97.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 22.2 | -175.8 | -48.2 | -58.3 | 158 | 0 | 0 | 113.9 | L194 F195 F224 L250 S251 S536 N539 L688 | L194-M253 HydrophobicContact CB-CG 4.37Å; F195-M253 HydrophobicContact CD1-CE 3.96Å; F195-M253 HydrophobicContact CE1-CE 3.25Å; F195-M253 HydrophobicContact CE1-SD 4.08Å; F195-M253 HydrophobicContact CE2-CE 3.9Å; F195-M253 HydrophobicContact CZ-CE 3.22Å; F224-M253 HydrophobicContact CE2-CE 3.67Å; F224-M253 HydrophobicContact CZ-CE 3.59Å; F224-M253 HydrophobicContact CZ-SD 4.02Å; L250-M253 PolarHBondContact O-N 3.1Å; S251-M253 VanDerWaalsContact C-N 3.27Å; M253-S536 WeakPolarHBondContact O-CB 3.3Å; M253-S536 PolarHBondContact O-OG 3.26Å; M253-N539 PolarHBondContact O-ND2 3.4Å; M253-L688 HydrophobicContact SD-CD2 3.95Å |
| 254 | E | 98.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 19 Ų | 19 | 9% | 0.089 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -79.2 | -35.6 | 179.9 | -72.9 | 173.1 | 174.6 | 0 | 0 | 111.4 | M249 R252 S536 L540 Y547 | M249-E254 WeakPolarHBondContact O-CB 3.35Å; M249-E254 PolarHBondContact O-N 2.98Å; M249-E254 VanDerWaalsContact O-N 3.12Å; R252-E254 HydrophobicContact CB-CG 3.83Å; R252-E254 WeakPolarHBondContact CD-OE1 3.38Å; R252-E254 PolarHBondContact O-N 2.8Å; E254-S536 PolarHBondContact O-N 3.22Å; E254-L540 HydrophobicContact CB-CD2 3.82Å; E254-L540 HydrophobicContact CB-CG 4.35Å; E254-L540 HydrophobicContact CG-CD2 3.85Å; E254-Y547 VanDerWaalsContact CD-OH 3.28Å; E254-Y547 PolarHBondContact OE1-OH 3.27Å; E254-Y547 PolarHBondContact OE2-OH 2.88Å |
| 255 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.8 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | M249 L250 A533 S534 L535 T551 A555 | M249-V255 HydrophobicContact CB-CB 4.29Å; M249-V255 HydrophobicContact CB-CG2 4.07Å; M249-V255 HydrophobicContact CE-CG1 4.43Å; M249-V255 HydrophobicContact CG-CB 4.13Å; M249-V255 HydrophobicContact CG-CG2 4.27Å; M249-V255 PolarHBondContact O-N 2.91Å; M249-V255 VanDerWaalsContact O-N 3.09Å; M249-V255 HydrophobicContact SD-CB 3.97Å; M249-V255 HydrophobicContact SD-CG1 4.25Å; M249-V255 HydrophobicContact SD-CG2 3.91Å; L250-V255 WeakPolarHBondContact CD2-O 2.77Å; V255-A533 HydrophobicContact CG1-CB 4.33Å; V255-S534 WeakPolarHBondContact CA-O 3.39Å; V255-L535 HydrophobicContact CG2-CD2 3.84Å; V255-T551 HydrophobicContact CG2-CG2 3.71Å; V255-A555 HydrophobicContact CG1-CB 4.24Å; V255-A555 HydrophobicContact CG2-CB 4.47Å |
| 256 | T | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.018 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.7 | 168.8 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | A533 S534 | T256-A533 CarbonylContact O-C 3.54Å; T256-A533 VanDerWaalsContact O-CA 3.31Å; T256-A533 WeakPolarHBondContact O-CA 3.28Å; T256-S534 PolarHBondContact N-O 2.97Å; T256-S534 PolarHBondContact O-N 2.9Å |
| 257 | M | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 162.6 | 168.5 | -54.2 | -55.7 | -71.2 | 0 | 0 | 109.6 | L231 M249 L250 T261 M262 A533 A558 L559 V562 | L231-M257 HydrophobicContact CD1-CE 4.37Å; L231-M257 HydrophobicContact CD1-CG 4.38Å; L231-M257 HydrophobicContact CD1-SD 4.43Å; L231-M257 HydrophobicContact CD2-CE 4.46Å; M249-M257 HydrophobicContact CE-SD 4.47Å; L250-M257 HydrophobicContact CD2-CG 3.85Å; L250-M257 HydrophobicContact CD2-SD 4.4Å; M257-T261 HydrophobicContact CB-CG2 3.81Å; M257-T261 HydrophobicContact CE-CG2 4.21Å; M257-T261 HydrophobicContact CG-CG2 4.03Å; M257-M262 HydrophobicContact CB-CG 4.06Å; M257-M262 HydrophobicContact CB-SD 4.05Å; M257-M262 HydrophobicContact CG-SD 4.49Å; M257-M262 VanDerWaalsContact O-CG 3.29Å; M257-M262 WeakPolarHBondContact O-CG 3.43Å; M257-A533 HydrophobicContact CE-CB 4.28Å; M257-A533 HydrophobicContact SD-CB 3.91Å; M257-A558 HydrophobicContact CE-CB 4.27Å; M257-A558 HydrophobicContact SD-CB 4.43Å; M257-L559 HydrophobicContact CE-CD2 4.02Å; M257-V562 HydrophobicContact CE-CG2 3.96Å |
| 258 | A | 92.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 11% | 0.107 | 8% | 0.084 | C | C | . | . | trans | -57.4 | 157.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P260 T261 M262 S274 L532 | A258-P260 VanDerWaalsContact C-CD 3.49Å; A258-P260 VanDerWaalsContact C-N 3.34Å; A258-T261 PolarHBondContact O-N 3.4Å; A258-T261 VanDerWaalsContact O-N 3.1Å; A258-M262 WeakPolarHBondContact O-CG 3.42Å; A258-M262 PolarHBondContact O-N 3.09Å; A258-S274 WeakPolarHBondContact CB-OG 3.45Å; A258-L532 HydrophobicContact CB-CB 4.08Å; A258-L532 VanDerWaalsContact CB-O 3.29Å; A258-L532 WeakPolarHBondContact CB-O 3.39Å; A258-L532 PolarHBondContact N-O 3.1Å | ||
| 259 | T | 91.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.2 | -43.1 | -177.1 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | Y207 M262 S263 S684 | Y207-T259 HydrophobicContact CE1-CG2 4.15Å; T259-M262 PolarHBondContact O-N 3.38Å; T259-S263 VanDerWaalsContact O-CB 3.25Å; T259-S263 WeakPolarHBondContact O-CB 3.28Å; T259-S263 PolarHBondContact O-N 3.2Å; T259-S263 PolarHBondContact O-OG 3.17Å; T259-S684 PolarHBondContact OG1-OG 3.16Å |
| 260 | P | 90.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.2 | -22.4 | 34.4 | 0 | 0 | 0 | 112.7 | A258 M262 S263 N264 S274 | A258-P260 VanDerWaalsContact C-CD 3.49Å; A258-P260 VanDerWaalsContact C-N 3.34Å; P260-M262 PolarHBondContact O-N 3.46Å; P260-S263 PolarHBondContact O-N 2.75Å; P260-N264 VanDerWaalsContact O-CB 3.23Å; P260-N264 WeakPolarHBondContact O-CB 3.13Å; P260-N264 PolarHBondContact O-N 3.19Å; P260-S274 VanDerWaalsContact CD-OG 3.28Å; P260-S274 WeakPolarHBondContact CD-OG 3.49Å; P260-S274 WeakPolarHBondContact CG-OG 3.44Å |
| 261 | T | 94.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 175.3 | -42 | 0 | 0 | 0 | 0 | 111.3 | L231 M257 A258 S263 A265 L272 V562 | L231-T261 HydrophobicContact CD2-CG2 4.31Å; M257-T261 HydrophobicContact CB-CG2 3.81Å; M257-T261 HydrophobicContact CE-CG2 4.21Å; M257-T261 HydrophobicContact CG-CG2 4.03Å; A258-T261 PolarHBondContact O-N 3.4Å; A258-T261 VanDerWaalsContact O-N 3.1Å; T261-S263 VanDerWaalsContact C-N 3.27Å; T261-S263 PolarHBondContact O-N 2.99Å; T261-A265 HydrophobicContact CG2-CB 4.46Å; T261-A265 WeakPolarHBondContact O-CB 3.47Å; T261-A265 PolarHBondContact O-N 3.5Å; T261-L272 HydrophobicContact CG2-CD2 4.48Å; T261-L272 PolarHBondContact N-O 2.96Å; T261-L272 PolarHBondContact OG1-O 3.14Å; T261-V562 HydrophobicContact CG2-CG2 4.28Å |
| 262 | M | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -37 | 177.7 | -68.5 | -64.6 | -63.7 | 0 | 0 | 112.5 | Y207 M223 F224 I227 M257 A258 T259 P260 R266 L688 | Y207-M262 HydrophobicContact CD1-CB 3.6Å; Y207-M262 HydrophobicContact CE1-CB 3.56Å; M223-M262 HydrophobicContact CE-CE 3.7Å; F224-M262 HydrophobicContact CD1-CE 4.38Å; F224-M262 HydrophobicContact CE1-CE 3.81Å; I227-M262 HydrophobicContact CD1-CE 4.11Å; I227-M262 HydrophobicContact CD1-SD 3.92Å; M257-M262 HydrophobicContact CB-CG 4.06Å; M257-M262 HydrophobicContact CB-SD 4.05Å; M257-M262 HydrophobicContact CG-SD 4.49Å; M257-M262 VanDerWaalsContact O-CG 3.29Å; M257-M262 WeakPolarHBondContact O-CG 3.43Å; A258-M262 WeakPolarHBondContact O-CG 3.42Å; A258-M262 PolarHBondContact O-N 3.09Å; T259-M262 PolarHBondContact O-N 3.38Å; P260-M262 PolarHBondContact O-N 3.46Å; M262-R266 PolarHBondContact O-NH1 3.23Å; M262-L688 HydrophobicContact CE-CD1 3.97Å; M262-L688 HydrophobicContact CE-CD2 4.49Å |
| 263 | S | 92 | Very high | 93.2 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -86 | -35.7 | -174 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | Y207 T259 P260 T261 K267 | Y207-S263 WeakPolarHBondContact CE1-OG 3.29Å; T259-S263 VanDerWaalsContact O-CB 3.25Å; T259-S263 WeakPolarHBondContact O-CB 3.28Å; T259-S263 PolarHBondContact O-N 3.2Å; T259-S263 PolarHBondContact O-OG 3.17Å; P260-S263 PolarHBondContact O-N 2.75Å; T261-S263 VanDerWaalsContact C-N 3.27Å; T261-S263 PolarHBondContact O-N 2.99Å; S263-K267 VanDerWaalsContact O-CD 3.25Å; S263-K267 WeakPolarHBondContact O-CD 3.39Å; S263-K267 WeakPolarHBondContact O-CE 3.4Å; S263-K267 PolarHBondContact O-NZ 3.24Å |
| 264 | N | 93.2 | Very high | 92.5 | Very high | 43 Ų | 43 | 23.4 Ų | 23.4 | 23% | 0.23 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -114.3 | -20.8 | -164.6 | -60.8 | -23.9 | 0 | 0 | 0 | 113.4 | P260 R266 K267 Q271 | P260-N264 VanDerWaalsContact O-CB 3.23Å; P260-N264 WeakPolarHBondContact O-CB 3.13Å; P260-N264 PolarHBondContact O-N 3.19Å; N264-R266 PolarHBondContact O-N 3.26Å; N264-K267 WeakPolarHBondContact O-CB 3.47Å; N264-K267 PolarHBondContact O-N 2.98Å; N264-K267 VanDerWaalsContact O-N 3.07Å; N264-Q271 VanDerWaalsContact CB-O 3.25Å; N264-Q271 WeakPolarHBondContact CB-O 3.38Å; N264-Q271 PolarHBondContact ND2-O 3.49Å |
| 265 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 140 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I227 H230 T261 K267 L272 | I227-A265 HydrophobicContact CB-CB 4.48Å; I227-A265 HydrophobicContact CG1-CB 4.11Å; I227-A265 HydrophobicContact CG2-CB 4.32Å; H230-A265 HydrophobicContact CB-CB 4.26Å; H230-A265 WeakPolarHBondContact ND1-CA 3.25Å; H230-A265 VanDerWaalsContact ND1-CB 3.33Å; H230-A265 WeakPolarHBondContact ND1-CB 3.22Å; T261-A265 HydrophobicContact CG2-CB 4.46Å; T261-A265 WeakPolarHBondContact O-CB 3.47Å; T261-A265 PolarHBondContact O-N 3.5Å; A265-K267 PolarHBondContact O-N 2.88Å; A265-L272 HydrophobicContact CB-CD2 3.93Å |
| 266 | R | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | -6.8 | -173.8 | 89.7 | -131.6 | 168.3 | -101.4 | 0.3 | 117.2 | Y167 G168 Y170 Y207 I209 E218 M223 H230 M262 N264 | Y167-R266 CarbonylContact C-O 3.4Å; Y167-R266 WeakPolarHBondContact CA-O 3.44Å; Y167-R266 WeakPolarHBondContact CD1-O 3.46Å; Y167-R266 HydrophobicContact CD2-CG 4.16Å; Y167-R266 HydrophobicContact CE1-CB 3.92Å; Y167-R266 HydrophobicContact CE1-CG 4.49Å; Y167-R266 HydrophobicContact CE2-CB 3.84Å; Y167-R266 HydrophobicContact CE2-CG 3.5Å; Y167-R266 VanDerWaalsContact CZ-CB 3.46Å; Y167-R266 WeakPolarHBondContact OH-CB 3.3Å; G168-R266 PolarHBondContact N-O 3.33Å; Y170-R266 WeakPolarHBondContact OH-CA 3.4Å; Y170-R266 PolarHBondContact OH-N 2.77Å; Y207-R266 PolarHBondContact O-NH2 2.73Å; I209-R266 HydrophobicContact CD1-CG 3.96Å; E218-R266 WeakPolarHBondContact OE1-CD 3.09Å; E218-R266 IonicContact OE1-CZ 3.33Å; E218-R266 IonicContact OE1-NE 3.19Å; E218-R266 PolarHBondContact OE1-NE 3.4Å; E218-R266 IonicContact OE1-NH2 3.84Å; E218-R266 IonicContact OE2-CZ 2.6Å; E218-R266 IonicContact OE2-NE 3.05Å; E218-R266 PolarHBondContact OE2-NE 2.93Å; E218-R266 IonicContact OE2-NH2 3.71Å; E218-R266 PolarHBondContact OE2-NH2 2.97Å; M223-R266 VanDerWaalsContact CG-NH2 3.26Å; H230-R266 PolarHBondContact ND1-N 2.97Å; H230-R266 VanDerWaalsContact ND1-N 3.19Å; M262-R266 PolarHBondContact O-NH1 3.23Å; N264-R266 PolarHBondContact O-N 3.26Å |
| 267 | K | 94.5 | Very high | 92 | Very high | 49 Ų | 49 | 23.2 Ų | 23.2 | 21% | 0.213 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -89.2 | 157.4 | 174.4 | -64.7 | -176.3 | -179.8 | 163.1 | 0 | 110.1 | Y170 S263 N264 A265 Y269 | Y170-K267 WeakPolarHBondContact CE1-O 3.28Å; Y170-K267 PolarHBondContact OH-O 3.29Å; S263-K267 VanDerWaalsContact O-CD 3.25Å; S263-K267 WeakPolarHBondContact O-CD 3.39Å; S263-K267 WeakPolarHBondContact O-CE 3.4Å; S263-K267 PolarHBondContact O-NZ 3.24Å; N264-K267 WeakPolarHBondContact O-CB 3.47Å; N264-K267 PolarHBondContact O-N 2.98Å; N264-K267 VanDerWaalsContact O-N 3.07Å; A265-K267 PolarHBondContact O-N 2.88Å; K267-Y269 VanDerWaalsContact C-N 3.27Å; K267-Y269 PolarHBondContact O-N 2.95Å |
| 268 | P | 91.7 | Very high | 92 | Very high | 49 Ų | 49 | 23.2 Ų | 23.2 | 32% | 0.318 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -54.1 | -42.6 | 179.3 | -27.5 | 34.6 | 0 | 0 | 0 | 113.5 | H270 | P268-H270 PolarHBondContact O-ND1 3.34Å; P268-H270 VanDerWaalsContact O-ND1 3.1Å |
| 269 | Y | 85.2 | Confident | 92.3 | Very high | 193 Ų | 193 | 22.6 Ų | 22.6 | 76% | 0.757 | 11% | 0.111 | S | C | * | . | S | Bend | trans | -94 | 97.9 | 174 | -62.6 | -71.6 | 0 | 0 | 0 | 110.5 | K267 | K267-Y269 VanDerWaalsContact C-N 3.27Å; K267-Y269 PolarHBondContact O-N 2.95Å |
| 270 | H | 85.3 | Confident | 92.6 | Very high | 46 Ų | 46 | 21.8 Ų | 21.8 | 21% | 0.213 | 11% | 0.106 | C | C | . | . | trans | -108.9 | 55 | -168.3 | 55.8 | -84.4 | 0 | 0 | 0 | 112.9 | Y170 P268 L272 L565 F567 | Y170-H270 HydrophobicContact CE1-CB 4.47Å; Y170-H270 AromaticContact CE1-ND1 3.51Å; Y170-H270 AromaticContact CZ-ND1 4Å; Y170-H270 WeakPolarHBondContact OH-CB 3.37Å; P268-H270 PolarHBondContact O-ND1 3.34Å; P268-H270 VanDerWaalsContact O-ND1 3.1Å; H270-L272 HydrophobicContact CB-CD2 4.41Å; H270-L272 WeakPolarHBondContact O-CG 3.46Å; H270-L272 PolarHBondContact O-N 3.06Å; H270-L565 PolarHBondContact CD2-O 3.34Å; H270-L565 VanDerWaalsContact CD2-O 3.22Å; H270-F567 PolarHBondContact O-N 3.15Å | ||
| 271 | Q | 89.1 | Confident | 92.8 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | trans | -71.6 | 118.1 | 166.2 | -163.4 | -61.9 | -34.1 | 0 | 0 | 108.1 | N264 S273 F567 P569 | N264-Q271 VanDerWaalsContact CB-O 3.25Å; N264-Q271 WeakPolarHBondContact CB-O 3.38Å; N264-Q271 PolarHBondContact ND2-O 3.49Å; Q271-S273 VanDerWaalsContact CD-O 3.22Å; Q271-S273 PolarHBondContact NE2-O 3.3Å; Q271-S273 PolarHBondContact OE1-O 2.93Å; Q271-F567 HydrophobicContact CB-CD1 4.32Å; Q271-F567 WeakPolarHBondContact CG-O 3.45Å; Q271-P569 HydrophobicContact CG-CG 4.25Å | ||
| 272 | L | 92.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | trans | -108.3 | -19.1 | -171.8 | -53.4 | -176.5 | 0 | 0 | 0 | 114.2 | T261 A265 H270 V562 L565 N566 | T261-L272 HydrophobicContact CG2-CD2 4.48Å; T261-L272 PolarHBondContact N-O 2.96Å; T261-L272 PolarHBondContact OG1-O 3.14Å; A265-L272 HydrophobicContact CB-CD2 3.93Å; H270-L272 HydrophobicContact CB-CD2 4.41Å; H270-L272 WeakPolarHBondContact O-CG 3.46Å; H270-L272 PolarHBondContact O-N 3.06Å; L272-V562 HydrophobicContact CB-CG1 3.84Å; L272-V562 HydrophobicContact CD1-CG1 4.36Å; L272-V562 HydrophobicContact CD1-CG2 4.45Å; L272-L565 HydrophobicContact CD1-CB 4.07Å; L272-N566 HydrophobicContact CB-CB 4.43Å; L272-N566 PolarHBondContact N-OD1 3.03Å | ||
| 273 | S | 90.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -88.4 | 152.7 | -176.9 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | Q271 V529 N531 N566 | Q271-S273 VanDerWaalsContact CD-O 3.22Å; Q271-S273 PolarHBondContact NE2-O 3.3Å; Q271-S273 PolarHBondContact OE1-O 2.93Å; S273-V529 VanDerWaalsContact CB-CG1 3.44Å; S273-V529 WeakPolarHBondContact OG-CG1 3.02Å; S273-N531 WeakPolarHBondContact CB-OD1 3.44Å; S273-N531 PolarHBondContact OG-OD1 2.86Å; S273-N566 PolarHBondContact N-OD1 3.49Å; S273-N566 PolarHBondContact OG-ND2 3.34Å | ||
| 274 | S | 82.8 | Confident | 92.7 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | trans | -92.7 | -70.7 | -172.8 | -60.5 | 0 | 0 | 0 | 0 | 115.4 | A258 P260 G302 G303 C530 | A258-S274 WeakPolarHBondContact CB-OG 3.45Å; P260-S274 VanDerWaalsContact CD-OG 3.28Å; P260-S274 WeakPolarHBondContact CD-OG 3.49Å; P260-S274 WeakPolarHBondContact CG-OG 3.44Å; S274-G302 VanDerWaalsContact O-CA 3.23Å; S274-G302 WeakPolarHBondContact O-CA 3.08Å; S274-G303 PolarHBondContact O-N 2.97Å; S274-C530 PolarHBondContact N-O 3.4Å | ||
| 275 | C | 91.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 165.8 | -172.8 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | G303 N490 C530 | C275-G303 CarbonylContact C-O 3.55Å; C275-G303 VanDerWaalsContact CA-O 3.23Å; C275-G303 WeakPolarHBondContact CA-O 3.27Å; C275-N490 HydrophobicContact CB-CB 4.12Å; C275-C530 VanDerWaalsContact C-SG 3.5Å; C275-C530 HydrophobicContact CB-CB 4.25Å; C275-C530 PolarHBondContact O-N 3.24Å; C275-C530 PolarHBondContact O-SG 2.7Å |
| 276 | F | 95.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.2 | 179.4 | -59.1 | -96.3 | 0 | 0 | 0 | 110.5 | V297 G303 M304 G305 F527 V528 V529 A573 | F276-V297 HydrophobicContact CB-CG1 4.36Å; F276-V297 HydrophobicContact CB-CG2 4.38Å; F276-V297 HydrophobicContact CD1-CG2 4.41Å; F276-V297 HydrophobicContact CD2-CB 4.23Å; F276-V297 HydrophobicContact CD2-CG1 3.26Å; F276-V297 HydrophobicContact CD2-CG2 3.9Å; F276-V297 HydrophobicContact CE2-CG1 3.76Å; F276-V297 HydrophobicContact CE2-CG2 4.27Å; F276-V297 HydrophobicContact CG-CG1 4.02Å; F276-V297 HydrophobicContact CG-CG2 3.96Å; F276-G303 PolarHBondContact N-O 3.36Å; F276-M304 HydrophobicContact CB-SD 3.84Å; F276-M304 CarbonylContact O-C 3.6Å; F276-M304 WeakPolarHBondContact O-CA 3.45Å; F276-G305 PolarHBondContact O-N 3.35Å; F276-F527 HydrophobicContact CB-CD1 4.35Å; F276-F527 HydrophobicContact CB-CE1 3.58Å; F276-F527 HydrophobicContact CB-CZ 4.23Å; F276-F527 HydrophobicContact CD1-CD1 4.09Å; F276-F527 AromaticContact CD1-CE1 3.64Å; F276-F527 HydrophobicContact CD1-CE1 3.64Å; F276-F527 AromaticContact CG-CE1 3.91Å; F276-F527 HydrophobicContact CG-CE1 3.91Å; F276-V528 CarbonylContact C-O 3.44Å; F276-V528 WeakPolarHBondContact CA-O 3.36Å; F276-V529 HydrophobicContact CD1-CB 4.41Å; F276-V529 HydrophobicContact CD1-CG1 4.33Å; F276-V529 HydrophobicContact CD1-CG2 3.87Å; F276-V529 HydrophobicContact CE1-CB 4.38Å; F276-V529 HydrophobicContact CE1-CG1 3.89Å; F276-V529 HydrophobicContact CE1-CG2 3.87Å; F276-V529 HydrophobicContact CZ-CG1 4.48Å; F276-A573 HydrophobicContact CD1-CB 4.07Å; F276-A573 HydrophobicContact CE1-CB 3.92Å |
| 277 | V | 97.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.2 | 176.5 | -154.2 | 0 | 0 | 0 | 0 | 110.8 | G305 C488 S489 N490 I495 M499 V528 | V277-G305 CarbonylContact C-O 3.58Å; V277-G305 VanDerWaalsContact CA-O 3.26Å; V277-G305 WeakPolarHBondContact CA-O 3.46Å; V277-G305 WeakPolarHBondContact CG1-O 3.43Å; V277-C488 WeakPolarHBondContact CG1-SG 3.36Å; V277-S489 WeakPolarHBondContact CG1-O 3.47Å; V277-N490 HydrophobicContact CG2-CB 3.76Å; V277-I495 HydrophobicContact CG2-CG2 4.39Å; V277-M499 HydrophobicContact CB-CE 4.08Å; V277-M499 HydrophobicContact CB-SD 4.43Å; V277-M499 HydrophobicContact CG1-CE 3.36Å; V277-M499 HydrophobicContact CG1-SD 3.78Å; V277-V528 HydrophobicContact CB-CB 3.77Å; V277-V528 HydrophobicContact CB-CG1 4.31Å; V277-V528 HydrophobicContact CB-CG2 4.32Å; V277-V528 HydrophobicContact CG2-CB 3.83Å; V277-V528 HydrophobicContact CG2-CG1 3.79Å; V277-V528 PolarHBondContact N-O 2.82Å; V277-V528 VanDerWaalsContact N-O 3.08Å; V277-V528 PolarHBondContact O-N 3.48Å |
| 278 | D | 97.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.7 | -179.3 | -166.9 | 16.8 | 0 | 0 | 0 | 112.4 | S290 M304 G305 Y307 M499 F527 | D278-S290 WeakPolarHBondContact OD2-CA 3.16Å; D278-S290 WeakPolarHBondContact OD2-CB 3.48Å; D278-S290 PolarHBondContact OD2-OG 3.34Å; D278-M304 HydrophobicContact CB-CE 3.24Å; D278-G305 PolarHBondContact N-O 2.89Å; D278-Y307 PolarHBondContact O-N 3.16Å; D278-M499 VanDerWaalsContact C-CE 3.49Å; D278-M499 WeakPolarHBondContact O-CE 3.28Å; D278-F527 HydrophobicContact CB-CD2 3.93Å; D278-F527 HydrophobicContact CB-CE2 3.6Å; D278-F527 HydrophobicContact CB-CZ 4.42Å |
| 279 | T | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.4 | 174.4 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | P281 Y307 K310 Y487 M499 P501 | T279-P281 VanDerWaalsContact O-CD 3.23Å; T279-P281 WeakPolarHBondContact O-CD 3.28Å; T279-Y307 HydrophobicContact CG2-CD1 4.01Å; T279-K310 HydrophobicContact CG2-CD 3.84Å; T279-K310 HydrophobicContact CG2-CG 4.31Å; T279-Y487 HydrophobicContact CG2-CD2 4.16Å; T279-Y487 HydrophobicContact CG2-CE2 4.35Å; T279-M499 WeakPolarHBondContact OG1-CB 3.4Å; T279-M499 WeakPolarHBondContact OG1-CE 3.42Å; T279-P501 HydrophobicContact CG2-CB 3.98Å; T279-P501 HydrophobicContact CG2-CG 4.31Å |
| 280 | V | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -74.2 | 118.1 | -175 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | I287 M306 Y307 F308 V311 | V280-I287 HydrophobicContact CG1-CB 4.36Å; V280-I287 HydrophobicContact CG1-CG1 3.85Å; V280-M306 HydrophobicContact CG2-CB 4.25Å; V280-M306 HydrophobicContact CG2-CE 3.7Å; V280-Y307 WeakPolarHBondContact CB-O 3.11Å; V280-Y307 WeakPolarHBondContact CG2-O 3.14Å; V280-Y307 PolarHBondContact N-O 3.36Å; V280-F308 HydrophobicContact CG1-CE1 4.2Å; V280-F308 HydrophobicContact CG1-CZ 4.36Å; V280-F308 HydrophobicContact CG2-CD2 3.89Å; V280-F308 HydrophobicContact CG2-CE1 4.48Å; V280-F308 HydrophobicContact CG2-CE2 3.7Å; V280-F308 HydrophobicContact CG2-CG 4.42Å; V280-F308 HydrophobicContact CG2-CZ 4.01Å; V280-V311 HydrophobicContact CB-CG2 4.22Å; V280-V311 HydrophobicContact CG1-CG2 3.81Å | ||
| 281 | P | 95.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | trans | -72.4 | 153 | 177.9 | -11.2 | 26.6 | 0 | 0 | 0 | 112 | T279 S283 I287 P501 I502 | T279-P281 VanDerWaalsContact O-CD 3.23Å; T279-P281 WeakPolarHBondContact O-CD 3.28Å; P281-S283 PolarHBondContact O-N 2.86Å; P281-I287 VanDerWaalsContact O-CG1 3.29Å; P281-I287 WeakPolarHBondContact O-CG1 3.45Å; P281-P501 HydrophobicContact CB-CB 4.2Å; P281-P501 HydrophobicContact CG-CB 3.89Å; P281-I502 WeakPolarHBondContact CG-O 3.25Å | ||
| 282 | D | 95.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -83.8 | 55.9 | 175.5 | -175.5 | 45.4 | 0 | 0 | 0 | 113 | K310 R312 H411 | D282-K310 WeakPolarHBondContact CB-O 3.35Å; D282-R312 PolarHBondContact O-NH2 2.87Å; D282-R312 WeakPolarHBondContact OD1-CB 3.33Å; D282-R312 WeakPolarHBondContact OD1-CG 3.49Å; D282-R312 IonicContact OD1-CZ 3.66Å; D282-R312 PolarHBondContact OD1-N 2.86Å; D282-R312 IonicContact OD1-NE 3.72Å; D282-R312 PolarHBondContact OD1-NE 2.99Å; D282-R312 IonicContact OD1-NH2 3.44Å; D282-R312 IonicContact OD2-CZ 2.77Å; D282-R312 IonicContact OD2-NE 3.75Å; D282-R312 PolarHBondContact OD2-NE 3.47Å; D282-R312 IonicContact OD2-NH2 2.91Å; D282-R312 PolarHBondContact OD2-NH2 2.96Å; D282-H411 IonicContact OD2-CG 3.43Å; D282-H411 IonicContact OD2-ND1 2.71Å; D282-H411 PolarHBondContact OD2-ND1 2.94Å; D282-H411 VanDerWaalsContact OD2-ND1 3.11Å |
| 283 | S | 92.4 | Very high | 94 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 38% | 0.378 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -143.5 | 153.2 | 174 | 72.1 | 0 | 0 | 0 | 0 | 110.9 | P281 D285 G286 I287 | P281-S283 PolarHBondContact O-N 2.86Å; S283-D285 VanDerWaalsContact C-N 3.32Å; S283-D285 PolarHBondContact O-N 3.31Å; S283-G286 PolarHBondContact O-N 3.03Å; S283-G286 WeakPolarHBondContact OG-CA 3.41Å; S283-G286 PolarHBondContact OG-N 3.39Å; S283-I287 WeakPolarHBondContact O-CG1 3.5Å; S283-I287 PolarHBondContact O-N 3.5Å |
| 284 | L | 91 | Very high | 94.1 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 56% | 0.56 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -56.7 | -49 | 179.1 | -178.9 | 66.8 | 0 | 0 | 0 | 111.1 | G286 I287 Y288 W331 | L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 3.25Å; L284-I287 PolarHBondContact O-N 3.07Å; L284-Y288 HydrophobicContact CD1-CD2 3.74Å; L284-Y288 HydrophobicContact CD1-CE2 3.65Å; L284-Y288 HydrophobicContact CG-CD2 4.29Å; L284-Y288 WeakPolarHBondContact O-CD2 3.35Å; L284-Y288 PolarHBondContact O-N 3.07Å; L284-W331 HydrophobicContact CD1-CH2 3.74Å; L284-W331 HydrophobicContact CD1-CZ3 4.36Å |
| 285 | D | 90.9 | Very high | 94.6 | Very high | 109 Ų | 109 | 31 Ų | 31 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -65.2 | -38.1 | 179.9 | -59.9 | -39.8 | 0 | 0 | 0 | 111.7 | S283 R289 | S283-D285 VanDerWaalsContact C-N 3.32Å; S283-D285 PolarHBondContact O-N 3.31Å; D285-R289 WeakPolarHBondContact O-CB 3.4Å; D285-R289 PolarHBondContact O-N 3.06Å |
| 286 | G | 92.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S283 L284 R289 S290 | S283-G286 PolarHBondContact O-N 3.03Å; S283-G286 WeakPolarHBondContact OG-CA 3.41Å; S283-G286 PolarHBondContact OG-N 3.39Å; L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 3.25Å; G286-R289 WeakPolarHBondContact O-CB 3.32Å; G286-R289 PolarHBondContact O-N 3.29Å; G286-S290 PolarHBondContact O-N 3.23Å; G286-S290 PolarHBondContact O-OG 3.21Å |
| 287 | I | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 179.5 | -64.3 | 164.7 | 0 | 0 | 0 | 110.6 | V280 P281 S283 L284 R289 S290 L291 V311 W331 | V280-I287 HydrophobicContact CG1-CB 4.36Å; V280-I287 HydrophobicContact CG1-CG1 3.85Å; P281-I287 VanDerWaalsContact O-CG1 3.29Å; P281-I287 WeakPolarHBondContact O-CG1 3.45Å; S283-I287 WeakPolarHBondContact O-CG1 3.5Å; S283-I287 PolarHBondContact O-N 3.5Å; L284-I287 PolarHBondContact O-N 3.07Å; I287-R289 VanDerWaalsContact C-N 3.3Å; I287-R289 PolarHBondContact O-N 2.88Å; I287-S290 PolarHBondContact O-N 2.87Å; I287-L291 HydrophobicContact CG2-CD1 4.35Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 2.74Å; I287-V311 HydrophobicContact CD1-CG1 4.23Å; I287-V311 HydrophobicContact CD1-CG2 4.48Å; I287-V311 HydrophobicContact CG1-CG2 4.44Å; I287-W331 HydrophobicContact CB-CE3 4.49Å; I287-W331 HydrophobicContact CD1-CD2 3.91Å; I287-W331 HydrophobicContact CD1-CE3 4.39Å; I287-W331 HydrophobicContact CD1-CG 4.24Å; I287-W331 HydrophobicContact CD1-CH2 4.49Å; I287-W331 HydrophobicContact CD1-CZ2 4.01Å; I287-W331 HydrophobicContact CG2-CB 4.36Å; I287-W331 HydrophobicContact CG2-CD2 3.88Å; I287-W331 HydrophobicContact CG2-CE3 3.52Å; I287-W331 HydrophobicContact CG2-CG 4.25Å; I287-W331 HydrophobicContact CG2-CZ3 4.07Å |
| 288 | Y | 95.6 | Very high | 93.7 | Very high | 127 Ų | 127 | 34 Ų | 34 | 50% | 0.498 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.7 | -31.5 | 177.2 | -89.5 | -85.8 | 0 | 0 | 0 | 112.6 | L284 L291 D292 W331 | L284-Y288 HydrophobicContact CD1-CD2 3.74Å; L284-Y288 HydrophobicContact CD1-CE2 3.65Å; L284-Y288 HydrophobicContact CG-CD2 4.29Å; L284-Y288 WeakPolarHBondContact O-CD2 3.35Å; L284-Y288 PolarHBondContact O-N 3.07Å; Y288-L291 HydrophobicContact CD1-CD1 4.42Å; Y288-L291 PolarHBondContact O-N 3.1Å; Y288-D292 WeakPolarHBondContact O-CB 3.26Å; Y288-D292 PolarHBondContact O-N 3.14Å; Y288-W331 HydrophobicContact CD2-CZ3 4.42Å; Y288-W331 HydrophobicContact CE2-CH2 4.46Å; Y288-W331 AromaticContact CE2-CZ3 3.86Å; Y288-W331 HydrophobicContact CE2-CZ3 3.86Å |
| 289 | R | 94.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 172.3 | -178.6 | 60.5 | 63.7 | -163.1 | 4.4 | 111.5 | D285 G286 I287 L291 D292 N293 I502 | D285-R289 WeakPolarHBondContact O-CB 3.4Å; D285-R289 PolarHBondContact O-N 3.06Å; G286-R289 WeakPolarHBondContact O-CB 3.32Å; G286-R289 PolarHBondContact O-N 3.29Å; I287-R289 VanDerWaalsContact C-N 3.3Å; I287-R289 PolarHBondContact O-N 2.88Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3.26Å; R289-D292 IonicContact NH1-OD2 2.7Å; R289-D292 PolarHBondContact NH1-OD2 3.24Å; R289-D292 PolarHBondContact O-N 2.96Å; R289-N293 WeakPolarHBondContact O-CB 3.47Å; R289-N293 PolarHBondContact O-N 3.35Å; R289-N293 PolarHBondContact O-ND2 3.34Å; R289-I502 HydrophobicContact CG-CD1 4.28Å |
| 290 | S | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 175.2 | -71 | 0 | 0 | 0 | 0 | 112.2 | D278 G286 I287 N293 F294 | D278-S290 WeakPolarHBondContact OD2-CA 3.16Å; D278-S290 WeakPolarHBondContact OD2-CB 3.48Å; D278-S290 PolarHBondContact OD2-OG 3.34Å; G286-S290 PolarHBondContact O-N 3.23Å; G286-S290 PolarHBondContact O-OG 3.21Å; I287-S290 PolarHBondContact O-N 2.87Å; S290-N293 PolarHBondContact O-N 3.39Å; S290-F294 WeakPolarHBondContact O-CB 3.47Å; S290-F294 PolarHBondContact O-N 3.33Å |
| 291 | L | 95.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 172.6 | -71.3 | 169.4 | 0 | 0 | 0 | 112.7 | I287 Y288 R289 N293 F294 A295 L334 V335 | I287-L291 HydrophobicContact CG2-CD1 4.35Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 2.74Å; Y288-L291 HydrophobicContact CD1-CD1 4.42Å; Y288-L291 PolarHBondContact O-N 3.1Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3.26Å; L291-N293 VanDerWaalsContact C-N 3.34Å; L291-F294 PolarHBondContact O-N 3.04Å; L291-A295 PolarHBondContact O-N 3.46Å; L291-L334 HydrophobicContact CD1-CB 3.74Å; L291-L334 HydrophobicContact CD1-CD1 3.99Å; L291-L334 HydrophobicContact CD2-CB 4.19Å; L291-V335 HydrophobicContact CD2-CB 4.19Å; L291-V335 HydrophobicContact CD2-CG2 3.51Å |
| 292 | D | 94.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 173.6 | 172.9 | 46.9 | 0 | 0 | 0 | 111.3 | Y288 R289 F294 A295 K296 | Y288-D292 WeakPolarHBondContact O-CB 3.26Å; Y288-D292 PolarHBondContact O-N 3.14Å; R289-D292 IonicContact NH1-OD2 2.7Å; R289-D292 PolarHBondContact NH1-OD2 3.24Å; R289-D292 PolarHBondContact O-N 2.96Å; D292-F294 PolarHBondContact O-N 3.28Å; D292-A295 PolarHBondContact O-N 3.49Å; D292-K296 WeakPolarHBondContact O-CG 3.42Å; D292-K296 PolarHBondContact O-N 2.84Å; D292-K296 WeakPolarHBondContact OD1-CE 3.42Å; D292-K296 IonicContact OD1-NZ 2.67Å; D292-K296 PolarHBondContact OD1-NZ 2.89Å; D292-K296 IonicContact OD2-NZ 3.82Å; D292-K296 PolarHBondContact OD2-NZ 2.94Å |
| 293 | N | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.5 | -71.8 | -16.9 | 0 | 0 | 0 | 111.3 | R289 S290 L291 A295 K296 V297 I502 F527 L570 | R289-N293 WeakPolarHBondContact O-CB 3.47Å; R289-N293 PolarHBondContact O-N 3.35Å; R289-N293 PolarHBondContact O-ND2 3.34Å; S290-N293 PolarHBondContact O-N 3.39Å; L291-N293 VanDerWaalsContact C-N 3.34Å; N293-A295 PolarHBondContact O-N 3Å; N293-K296 PolarHBondContact O-N 3.05Å; N293-V297 WeakPolarHBondContact O-CG2 3.43Å; N293-V297 PolarHBondContact O-N 3.06Å; N293-I502 VanDerWaalsContact ND2-CD1 3.31Å; N293-I502 WeakPolarHBondContact ND2-CD1 3.37Å; N293-F527 HydrophobicContact CB-CE2 3.93Å; N293-F527 HydrophobicContact CB-CZ 4.2Å; N293-L570 HydrophobicContact CB-CD1 3.64Å |
| 294 | F | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.7 | 174.8 | -135.7 | 0 | 0 | 0 | 111.9 | S290 L291 D292 K296 V297 S298 M304 M306 V335 T338 A339 V352 | S290-F294 WeakPolarHBondContact O-CB 3.47Å; S290-F294 PolarHBondContact O-N 3.33Å; L291-F294 PolarHBondContact O-N 3.04Å; D292-F294 PolarHBondContact O-N 3.28Å; F294-K296 VanDerWaalsContact C-N 3.33Å; F294-K296 PolarHBondContact O-N 2.93Å; F294-V297 PolarHBondContact O-N 3.38Å; F294-S298 WeakPolarHBondContact O-CB 3.48Å; F294-S298 PolarHBondContact O-N 3.33Å; F294-M304 HydrophobicContact CB-CG 4.45Å; F294-M304 HydrophobicContact CD2-CB 3.43Å; F294-M304 VanDerWaalsContact CD2-CB 3.43Å; F294-M304 HydrophobicContact CD2-CG 3.69Å; F294-M304 HydrophobicContact CD2-SD 4.4Å; F294-M304 HydrophobicContact CE2-CB 3.57Å; F294-M304 HydrophobicContact CE2-CG 4.32Å; F294-M304 HydrophobicContact CG-CB 4.39Å; F294-M304 HydrophobicContact CG-CG 4.27Å; F294-M306 HydrophobicContact CB-SD 4.39Å; F294-M306 HydrophobicContact CG-SD 4.44Å; F294-V335 HydrophobicContact CD1-CG1 4.2Å; F294-V335 HydrophobicContact CE1-CG1 4.04Å; F294-V335 WeakPolarHBondContact CE1-O 3.45Å; F294-T338 HydrophobicContact CD1-CG2 3.64Å; F294-T338 HydrophobicContact CE1-CG2 3.98Å; F294-T338 HydrophobicContact CG-CG2 4.46Å; F294-A339 HydrophobicContact CE1-CB 3.86Å; F294-A339 HydrophobicContact CZ-CB 3.75Å; F294-V352 HydrophobicContact CE1-CB 4.24Å; F294-V352 HydrophobicContact CE1-CG1 4.09Å; F294-V352 HydrophobicContact CE2-CB 4.05Å; F294-V352 HydrophobicContact CZ-CB 3.71Å; F294-V352 HydrophobicContact CZ-CG1 3.85Å; F294-V352 HydrophobicContact CZ-CG2 4.44Å |
| 295 | A | 91.9 | Very high | 90.6 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 21% | 0.207 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L291 D292 N293 S298 K299 T338 V342 | L291-A295 PolarHBondContact O-N 3.46Å; D292-A295 PolarHBondContact O-N 3.49Å; N293-A295 PolarHBondContact O-N 3Å; A295-S298 PolarHBondContact O-N 2.88Å; A295-K299 WeakPolarHBondContact O-CB 3.36Å; A295-K299 PolarHBondContact O-N 3.34Å; A295-T338 HydrophobicContact CB-CG2 3.86Å; A295-V342 HydrophobicContact CB-CG2 4.14Å |
| 296 | K | 90.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 34% | 0.339 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.4 | -74.4 | 168.1 | 178.7 | 159.9 | 0 | 111.9 | D292 N293 F294 F300 L570 | D292-K296 WeakPolarHBondContact O-CG 3.42Å; D292-K296 PolarHBondContact O-N 2.84Å; D292-K296 WeakPolarHBondContact OD1-CE 3.42Å; D292-K296 IonicContact OD1-NZ 2.67Å; D292-K296 PolarHBondContact OD1-NZ 2.89Å; D292-K296 IonicContact OD2-NZ 3.82Å; D292-K296 PolarHBondContact OD2-NZ 2.94Å; N293-K296 PolarHBondContact O-N 3.05Å; F294-K296 VanDerWaalsContact C-N 3.33Å; F294-K296 PolarHBondContact O-N 2.93Å; K296-F300 WeakPolarHBondContact O-CD2 3.45Å; K296-L570 HydrophobicContact CB-CD2 3.95Å; K296-L570 HydrophobicContact CB-CG 4.38Å; K296-L570 HydrophobicContact CD-CD2 3.47Å; K296-L570 VanDerWaalsContact CD-CD2 3.47Å; K296-L570 HydrophobicContact CG-CD2 4.36Å |
| 297 | V | 88.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.1 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | F276 N293 F294 K299 F300 G301 G302 M304 F527 L570 | F276-V297 HydrophobicContact CB-CG1 4.36Å; F276-V297 HydrophobicContact CB-CG2 4.38Å; F276-V297 HydrophobicContact CD1-CG2 4.41Å; F276-V297 HydrophobicContact CD2-CB 4.23Å; F276-V297 HydrophobicContact CD2-CG1 3.26Å; F276-V297 HydrophobicContact CD2-CG2 3.9Å; F276-V297 HydrophobicContact CE2-CG1 3.76Å; F276-V297 HydrophobicContact CE2-CG2 4.27Å; F276-V297 HydrophobicContact CG-CG1 4.02Å; F276-V297 HydrophobicContact CG-CG2 3.96Å; N293-V297 WeakPolarHBondContact O-CG2 3.43Å; N293-V297 PolarHBondContact O-N 3.06Å; F294-V297 PolarHBondContact O-N 3.38Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 2.95Å; V297-F300 PolarHBondContact O-N 3.15Å; V297-F300 VanDerWaalsContact O-N 3.13Å; V297-G301 PolarHBondContact O-N 3.04Å; V297-G302 PolarHBondContact O-N 3.11Å; V297-G302 VanDerWaalsContact O-N 3.09Å; V297-M304 HydrophobicContact CG1-SD 4.46Å; V297-F527 HydrophobicContact CG2-CE1 4.26Å; V297-F527 HydrophobicContact CG2-CZ 4.2Å; V297-L570 HydrophobicContact CG2-CD1 3.74Å; V297-L570 HydrophobicContact CG2-CG 4.47Å |
| 298 | S | 87.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | -179.3 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | F294 A295 F300 G301 V342 Q344 | F294-S298 WeakPolarHBondContact O-CB 3.48Å; F294-S298 PolarHBondContact O-N 3.33Å; A295-S298 PolarHBondContact O-N 2.88Å; S298-F300 PolarHBondContact O-N 3.11Å; S298-F300 VanDerWaalsContact O-N 3.08Å; S298-G301 PolarHBondContact O-N 3.4Å; S298-V342 PolarHBondContact OG-O 2.98Å; S298-Q344 WeakPolarHBondContact O-CG 3.36Å; S298-Q344 PolarHBondContact O-NE2 3.38Å |
| 299 | K | 83.8 | Confident | 91.5 | Very high | 140 Ų | 140 | 23.9 Ų | 23.9 | 61% | 0.609 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -51.9 | -33.9 | 176.1 | 179 | -178.2 | 175.9 | -178.3 | 0 | 113 | A295 V297 V342 | A295-K299 WeakPolarHBondContact O-CB 3.36Å; A295-K299 PolarHBondContact O-N 3.34Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 2.95Å; K299-V342 HydrophobicContact CB-CG1 3.99Å |
| 300 | F | 78.9 | Confident | 91.6 | Very high | 76 Ų | 76 | 21.2 Ų | 21.2 | 33% | 0.333 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 12.2 | -178.3 | -64.6 | -75 | 0 | 0 | 0 | 114.3 | K296 V297 S298 F567 P569 | K296-F300 WeakPolarHBondContact O-CD2 3.45Å; V297-F300 PolarHBondContact O-N 3.15Å; V297-F300 VanDerWaalsContact O-N 3.13Å; S298-F300 PolarHBondContact O-N 3.11Å; S298-F300 VanDerWaalsContact O-N 3.08Å; F300-F567 HydrophobicContact CE1-CE1 4.21Å; F300-F567 HydrophobicContact CZ-CE1 4.21Å; F300-P569 HydrophobicContact CB-CG 4.02Å; F300-P569 HydrophobicContact CD2-CB 3.56Å; F300-P569 HydrophobicContact CD2-CG 3.62Å; F300-P569 HydrophobicContact CE2-CB 3.95Å; F300-P569 HydrophobicContact CE2-CG 4.36Å; F300-P569 HydrophobicContact CG-CB 4.47Å; F300-P569 HydrophobicContact CG-CG 4.05Å |
| 301 | G | 77.1 | Confident | 91.8 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 23% | 0.227 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 1.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | V297 S298 Q344 | V297-G301 PolarHBondContact O-N 3.04Å; S298-G301 PolarHBondContact O-N 3.4Å; G301-Q344 VanDerWaalsContact CA-CD 3.45Å |
| 302 | G | 82.2 | Confident | 91.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | trans | -83.4 | 137.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S274 V297 | S274-G302 VanDerWaalsContact O-CA 3.23Å; S274-G302 WeakPolarHBondContact O-CA 3.08Å; V297-G302 PolarHBondContact O-N 3.11Å; V297-G302 VanDerWaalsContact O-N 3.09Å | ||
| 303 | G | 89.5 | Confident | 92 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 156.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | S274 C275 F276 A351 | S274-G303 PolarHBondContact O-N 2.97Å; C275-G303 CarbonylContact C-O 3.55Å; C275-G303 VanDerWaalsContact CA-O 3.23Å; C275-G303 WeakPolarHBondContact CA-O 3.27Å; F276-G303 PolarHBondContact N-O 3.36Å; G303-A351 WeakPolarHBondContact CA-O 3.35Å |
| 304 | M | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.9 | -172.8 | -163.3 | 71.2 | 177.5 | 0 | 0 | 112.9 | F276 D278 F294 V297 M306 A351 V352 A353 F527 | F276-M304 HydrophobicContact CB-SD 3.84Å; F276-M304 CarbonylContact O-C 3.6Å; F276-M304 WeakPolarHBondContact O-CA 3.45Å; D278-M304 HydrophobicContact CB-CE 3.24Å; F294-M304 HydrophobicContact CB-CG 4.45Å; F294-M304 HydrophobicContact CD2-CB 3.43Å; F294-M304 VanDerWaalsContact CD2-CB 3.43Å; F294-M304 HydrophobicContact CD2-CG 3.69Å; F294-M304 HydrophobicContact CD2-SD 4.4Å; F294-M304 HydrophobicContact CE2-CB 3.57Å; F294-M304 HydrophobicContact CE2-CG 4.32Å; F294-M304 HydrophobicContact CG-CB 4.39Å; F294-M304 HydrophobicContact CG-CG 4.27Å; V297-M304 HydrophobicContact CG1-SD 4.46Å; M304-M306 HydrophobicContact CE-CG 4.16Å; M304-M306 HydrophobicContact CG-CG 3.56Å; M304-M306 HydrophobicContact CG-SD 4.16Å; M304-A351 PolarHBondContact N-O 3.46Å; M304-V352 HydrophobicContact CB-CB 4.17Å; M304-V352 HydrophobicContact CB-CG2 3.93Å; M304-V352 HydrophobicContact CG-CG2 4.33Å; M304-V352 CarbonylContact O-C 3.55Å; M304-V352 VanDerWaalsContact O-CA 3.28Å; M304-V352 WeakPolarHBondContact O-CA 3.42Å; M304-A353 PolarHBondContact O-N 3.34Å; M304-F527 HydrophobicContact CE-CE2 3.86Å; M304-F527 HydrophobicContact CE-CZ 3.62Å; M304-F527 HydrophobicContact SD-CZ 4.25Å |
| 305 | G | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F276 V277 D278 A353 | F276-G305 PolarHBondContact O-N 3.35Å; V277-G305 CarbonylContact C-O 3.58Å; V277-G305 VanDerWaalsContact CA-O 3.26Å; V277-G305 WeakPolarHBondContact CA-O 3.46Å; V277-G305 WeakPolarHBondContact CG1-O 3.43Å; D278-G305 PolarHBondContact N-O 2.89Å; G305-A353 CarbonylContact C-O 3.53Å; G305-A353 WeakPolarHBondContact CA-O 3.34Å |
| 306 | M | 98.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.9 | -179 | -61.4 | -175.3 | 74.6 | 0 | 0 | 110.5 | V280 F294 M304 F308 V335 V352 A353 V354 Y355 | V280-M306 HydrophobicContact CG2-CB 4.25Å; V280-M306 HydrophobicContact CG2-CE 3.7Å; F294-M306 HydrophobicContact CB-SD 4.39Å; F294-M306 HydrophobicContact CG-SD 4.44Å; M304-M306 HydrophobicContact CE-CG 4.16Å; M304-M306 HydrophobicContact CG-CG 3.56Å; M304-M306 HydrophobicContact CG-SD 4.16Å; M306-F308 HydrophobicContact CB-CD2 4.05Å; M306-F308 HydrophobicContact CB-CE2 3.8Å; M306-F308 HydrophobicContact CE-CE2 4.07Å; M306-F308 HydrophobicContact CE-CZ 4.38Å; M306-F308 HydrophobicContact SD-CE2 4.35Å; M306-V335 HydrophobicContact CE-CG2 4.16Å; M306-V335 HydrophobicContact SD-CG1 3.82Å; M306-V335 HydrophobicContact SD-CG2 3.89Å; M306-V352 HydrophobicContact CG-CG2 3.98Å; M306-V352 HydrophobicContact SD-CG2 3.96Å; M306-A353 PolarHBondContact N-O 2.83Å; M306-V354 HydrophobicContact CB-CG2 4.46Å; M306-V354 CarbonylContact O-C 3.59Å; M306-V354 WeakPolarHBondContact O-CA 3.49Å; M306-Y355 PolarHBondContact O-N 3.46Å |
| 307 | Y | 98.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.7 | 174.6 | 179.1 | -109.2 | 0 | 0 | 0 | 111 | D278 T279 V280 G309 K310 D357 E422 R471 Y487 C488 | D278-Y307 PolarHBondContact O-N 3.16Å; T279-Y307 HydrophobicContact CG2-CD1 4.01Å; V280-Y307 WeakPolarHBondContact CB-O 3.11Å; V280-Y307 WeakPolarHBondContact CG2-O 3.14Å; V280-Y307 PolarHBondContact N-O 3.36Å; Y307-G309 VanDerWaalsContact CZ-CA 3.47Å; Y307-K310 HydrophobicContact CD1-CG 4.19Å; Y307-K310 HydrophobicContact CE1-CG 3.74Å; Y307-D357 PolarHBondContact OH-OD2 2.91Å; Y307-E422 HydrophobicContact CE1-CG 4.27Å; Y307-E422 WeakPolarHBondContact OH-CB 3.29Å; Y307-E422 WeakPolarHBondContact OH-CG 3.34Å; Y307-R471 PolarHBondContact OH-NH2 2.93Å; Y307-R471 VanDerWaalsContact OH-NH2 3.14Å; Y307-Y487 HydrophobicContact CD1-CD1 4.3Å; Y307-Y487 AromaticContact CD1-CG 3.94Å; Y307-Y487 HydrophobicContact CD1-CG 3.94Å; Y307-Y487 AromaticContact CE1-CD1 3.66Å; Y307-Y487 HydrophobicContact CE1-CD1 3.66Å; Y307-Y487 AromaticContact CE1-CG 3.76Å; Y307-Y487 HydrophobicContact CE1-CG 3.76Å; Y307-Y487 HydrophobicContact CG-CG 4.38Å; Y307-Y487 AromaticContact CZ-CD1 3.82Å; Y307-C488 HydrophobicContact CD2-CB 3.95Å; Y307-C488 HydrophobicContact CG-CB 4.4Å |
| 308 | F | 98.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | trans | -100.5 | -0.2 | 179.4 | -89.1 | -101 | 0 | 0 | 0 | 113.5 | V280 M306 K310 V311 V328 W331 I332 V335 V354 Y355 L356 | V280-F308 HydrophobicContact CG1-CE1 4.2Å; V280-F308 HydrophobicContact CG1-CZ 4.36Å; V280-F308 HydrophobicContact CG2-CD2 3.89Å; V280-F308 HydrophobicContact CG2-CE1 4.48Å; V280-F308 HydrophobicContact CG2-CE2 3.7Å; V280-F308 HydrophobicContact CG2-CG 4.42Å; V280-F308 HydrophobicContact CG2-CZ 4.01Å; M306-F308 HydrophobicContact CB-CD2 4.05Å; M306-F308 HydrophobicContact CB-CE2 3.8Å; M306-F308 HydrophobicContact CE-CE2 4.07Å; M306-F308 HydrophobicContact CE-CZ 4.38Å; M306-F308 HydrophobicContact SD-CE2 4.35Å; F308-K310 PolarHBondContact O-N 3.29Å; F308-V311 HydrophobicContact CD1-CB 4.38Å; F308-V311 HydrophobicContact CD1-CG2 3.93Å; F308-V311 HydrophobicContact CE1-CG2 4.48Å; F308-V311 WeakPolarHBondContact O-CB 3.5Å; F308-V311 PolarHBondContact O-N 3.1Å; F308-V328 HydrophobicContact CD1-CB 4.46Å; F308-W331 HydrophobicContact CE1-CB 3.73Å; F308-I332 HydrophobicContact CD1-CG1 4.21Å; F308-I332 HydrophobicContact CE1-CG1 4.18Å; F308-I332 HydrophobicContact CE2-CG1 4.47Å; F308-I332 HydrophobicContact CG-CG1 4.38Å; F308-I332 HydrophobicContact CZ-CG1 4.3Å; F308-V335 HydrophobicContact CE2-CG2 3.98Å; F308-V335 HydrophobicContact CZ-CG2 3.65Å; F308-V354 HydrophobicContact CB-CG1 4.19Å; F308-V354 HydrophobicContact CD2-CB 4.49Å; F308-V354 HydrophobicContact CD2-CG1 3.53Å; F308-V354 HydrophobicContact CD2-CG2 4.27Å; F308-V354 HydrophobicContact CE2-CG1 4.17Å; F308-V354 HydrophobicContact CE2-CG2 4.12Å; F308-V354 HydrophobicContact CG-CG1 4.04Å; F308-Y355 PolarHBondContact N-O 3.22Å; F308-L356 HydrophobicContact CB-CD1 4.21Å | ||
| 309 | G | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y307 P410 | Y307-G309 VanDerWaalsContact CZ-CA 3.47Å; G309-P410 WeakPolarHBondContact O-CG 3.45Å |
| 310 | K | 97.5 | Very high | 91 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 11% | 0.109 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -27.4 | 171.9 | -55.6 | -155.6 | 158.9 | -78.2 | 0 | 113.4 | T279 D282 Y307 F308 E422 D423 P501 | T279-K310 HydrophobicContact CG2-CD 3.84Å; T279-K310 HydrophobicContact CG2-CG 4.31Å; D282-K310 WeakPolarHBondContact CB-O 3.35Å; Y307-K310 HydrophobicContact CD1-CG 4.19Å; Y307-K310 HydrophobicContact CE1-CG 3.74Å; F308-K310 PolarHBondContact O-N 3.29Å; K310-E422 HydrophobicContact CG-CG 4.18Å; K310-E422 WeakPolarHBondContact CG-OE1 3.4Å; K310-E422 IonicContact NZ-OE1 2.77Å; K310-E422 PolarHBondContact NZ-OE1 3.48Å; K310-D423 IonicContact NZ-OD1 3.77Å; K310-D423 PolarHBondContact NZ-OD1 2.91Å; K310-D423 IonicContact NZ-OD2 3.47Å; K310-P501 HydrophobicContact CD-CG 4.33Å |
| 311 | V | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -69.8 | 134.1 | -172.1 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | V280 I287 F308 V328 H360 P410 | V280-V311 HydrophobicContact CB-CG2 4.22Å; V280-V311 HydrophobicContact CG1-CG2 3.81Å; I287-V311 HydrophobicContact CD1-CG1 4.23Å; I287-V311 HydrophobicContact CD1-CG2 4.48Å; I287-V311 HydrophobicContact CG1-CG2 4.44Å; F308-V311 HydrophobicContact CD1-CB 4.38Å; F308-V311 HydrophobicContact CD1-CG2 3.93Å; F308-V311 HydrophobicContact CE1-CG2 4.48Å; F308-V311 WeakPolarHBondContact O-CB 3.5Å; F308-V311 PolarHBondContact O-N 3.1Å; V311-V328 HydrophobicContact CB-CG1 4.03Å; V311-V328 HydrophobicContact CG1-CG1 4.06Å; V311-H360 PolarHBondContact O-NE2 2.91Å; V311-P410 WeakPolarHBondContact O-CG 3.5Å |
| 312 | R | 97.1 | Very high | 91.4 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -61 | 143.4 | -177.3 | 72.5 | -169.6 | 68.2 | -166.4 | -0.3 | 112.8 | D282 T317 A325 H411 | D282-R312 PolarHBondContact O-NH2 2.87Å; D282-R312 WeakPolarHBondContact OD1-CB 3.33Å; D282-R312 WeakPolarHBondContact OD1-CG 3.49Å; D282-R312 IonicContact OD1-CZ 3.66Å; D282-R312 PolarHBondContact OD1-N 2.86Å; D282-R312 IonicContact OD1-NE 3.72Å; D282-R312 PolarHBondContact OD1-NE 2.99Å; D282-R312 IonicContact OD1-NH2 3.44Å; D282-R312 IonicContact OD2-CZ 2.77Å; D282-R312 IonicContact OD2-NE 3.75Å; D282-R312 PolarHBondContact OD2-NE 3.47Å; D282-R312 IonicContact OD2-NH2 2.91Å; D282-R312 PolarHBondContact OD2-NH2 2.96Å; R312-T317 PolarHBondContact NH1-O 3.02Å; R312-A325 HydrophobicContact CG-CB 3.87Å; R312-H411 HydrophobicContact CB-CB 3.5Å; R312-H411 VanDerWaalsContact CB-CB 3.5Å; R312-H411 PolarHBondContact NH2-CE1 2.96Å; R312-H411 PolarHBondContact NH2-ND1 3.34Å |
| 313 | A | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -72 | 163.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S316 A325 R361 D362 C409 | A313-S316 WeakPolarHBondContact O-CB 3.3Å; A313-S316 PolarHBondContact O-N 2.8Å; A313-A325 WeakPolarHBondContact O-CB 3.49Å; A313-R361 HydrophobicContact CB-CB 3.72Å; A313-R361 HydrophobicContact CB-CG 4.4Å; A313-D362 WeakPolarHBondContact CA-OD2 3.49Å; A313-D362 WeakPolarHBondContact CB-OD1 3.33Å; A313-C409 HydrophobicContact CB-CB 3.92Å; A313-C409 PolarHBondContact N-SG 2.97Å |
| 314 | A | 94.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 142.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | S316 A325 R361 D362 | A314-S316 PolarHBondContact O-N 3.13Å; A314-A325 WeakPolarHBondContact CA-O 3.41Å; A314-R361 PolarHBondContact O-NE 3.44Å; A314-R361 PolarHBondContact O-NH2 2.93Å; A314-D362 PolarHBondContact N-OD1 3.01Å; A314-D362 PolarHBondContact N-OD2 2.56Å |
| 315 | G | 89.8 | Confident | 91 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G323 A325 | G315-G323 WeakPolarHBondContact O-CA 3.5Å; G315-G323 PolarHBondContact O-N 2.71Å; G315-A325 PolarHBondContact N-O 3.33Å |
| 316 | S | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -65.9 | 162.9 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | A313 A314 A324 A325 C409 | A313-S316 WeakPolarHBondContact O-CB 3.3Å; A313-S316 PolarHBondContact O-N 2.8Å; A314-S316 PolarHBondContact O-N 3.13Å; S316-A324 PolarHBondContact O-N 2.99Å; S316-A325 WeakPolarHBondContact O-CB 3.42Å; S316-A325 PolarHBondContact O-N 2.95Å; S316-C409 VanDerWaalsContact CB-SG 3.59Å; S316-C409 PolarHBondContact OG-SG 3.18Å | ||
| 317 | T | 87.8 | Confident | 90.3 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | trans | -67.2 | 143.2 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | R312 F321 Q322 | R312-T317 PolarHBondContact NH1-O 3.02Å; T317-F321 VanDerWaalsContact CA-O 3.25Å; T317-F321 WeakPolarHBondContact CA-O 3.36Å; T317-Q322 HydrophobicContact CG2-CG 4.16Å | ||
| 318 | I | 83.6 | Confident | 90.2 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 35% | 0.349 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -124.8 | 121.4 | 162.2 | -62.8 | 179.4 | 0 | 0 | 0 | 107.9 | G320 F321 A324 A325 | I318-G320 PolarHBondContact O-N 3.3Å; I318-G320 VanDerWaalsContact O-N 3.14Å; I318-F321 PolarHBondContact N-O 2.99Å; I318-F321 VanDerWaalsContact N-O 3.09Å; I318-F321 WeakPolarHBondContact O-CB 3.26Å; I318-F321 PolarHBondContact O-N 2.73Å; I318-A324 HydrophobicContact CB-CB 3.93Å; I318-A324 HydrophobicContact CD1-CB 4.3Å; I318-A324 HydrophobicContact CG1-CB 4.14Å; I318-A325 HydrophobicContact CD1-CB 4.14Å; I318-A325 HydrophobicContact CG1-CB 4.14Å |
| 319 | R | 83.3 | Confident | 90.1 | Very high | 237 Ų | 237 | 47 Ų | 47 | 89% | 0.894 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 36.5 | -179 | -59.5 | 178.5 | 179.9 | -179.5 | -0.3 | 113.3 | F321 | R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 HydrophobicContact CB-CD2 4.47Å; R319-F321 PolarHBondContact O-N 3.4Å |
| 320 | G | 80.6 | Confident | 89.9 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I318 Q322 | I318-G320 PolarHBondContact O-N 3.3Å; I318-G320 VanDerWaalsContact O-N 3.14Å; G320-Q322 PolarHBondContact O-N 3.36Å |
| 321 | F | 81.7 | Confident | 89.8 | Confident | 152 Ų | 152 | 56.4 Ų | 56.4 | 67% | 0.667 | 31% | 0.31 | S | S | * | . | B | Isolated β-bridge | trans | -80.6 | 112.9 | 175.6 | -64.7 | -83.5 | 0 | 0 | 0 | 110.5 | T317 I318 R319 A324 | T317-F321 VanDerWaalsContact CA-O 3.25Å; T317-F321 WeakPolarHBondContact CA-O 3.36Å; I318-F321 PolarHBondContact N-O 2.99Å; I318-F321 VanDerWaalsContact N-O 3.09Å; I318-F321 WeakPolarHBondContact O-CB 3.26Å; I318-F321 PolarHBondContact O-N 2.73Å; R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 HydrophobicContact CB-CD2 4.47Å; R319-F321 PolarHBondContact O-N 3.4Å; F321-A324 HydrophobicContact CB-CB 4.18Å; F321-A324 WeakPolarHBondContact O-CB 3.49Å |
| 322 | Q | 82.8 | Confident | 89.8 | Confident | 148 Ų | 148 | 56.4 Ų | 56.4 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 146.3 | 175.4 | -62.4 | -67 | -16.5 | 0 | 0 | 111.1 | T317 G320 A324 | T317-Q322 HydrophobicContact CG2-CG 4.16Å; G320-Q322 PolarHBondContact O-N 3.36Å; Q322-A324 PolarHBondContact O-N 3.33Å |
| 323 | G | 82.6 | Confident | 89.7 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 2.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G315 | G315-G323 WeakPolarHBondContact O-CA 3.5Å; G315-G323 PolarHBondContact O-N 2.71Å |
| 324 | A | 83.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 61 Ų | 61 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | trans | -83.3 | -25.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S316 I318 F321 Q322 | S316-A324 PolarHBondContact O-N 2.99Å; I318-A324 HydrophobicContact CB-CB 3.93Å; I318-A324 HydrophobicContact CD1-CB 4.3Å; I318-A324 HydrophobicContact CG1-CB 4.14Å; F321-A324 HydrophobicContact CB-CB 4.18Å; F321-A324 WeakPolarHBondContact O-CB 3.49Å; Q322-A324 PolarHBondContact O-N 3.33Å | ||
| 325 | A | 89.3 | Confident | 89.7 | Confident | 9 Ų | 9 | 59 Ų | 59 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | trans | -75 | 135.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R312 A313 A314 G315 S316 I318 | R312-A325 HydrophobicContact CG-CB 3.87Å; A313-A325 WeakPolarHBondContact O-CB 3.49Å; A314-A325 WeakPolarHBondContact CA-O 3.41Å; G315-A325 PolarHBondContact N-O 3.33Å; S316-A325 WeakPolarHBondContact O-CB 3.42Å; S316-A325 PolarHBondContact O-N 2.95Å; I318-A325 HydrophobicContact CD1-CB 4.14Å; I318-A325 HydrophobicContact CG1-CB 4.14Å | ||
| 326 | G | 88.1 | Confident | 89.8 | Confident | 32 Ų | 32 | 58 Ų | 58 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | trans | -82.5 | -5.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 327 | G | 93.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | trans | 75.8 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I329 D362 | G327-I329 VanDerWaalsContact C-N 3.35Å; G327-I329 PolarHBondContact O-N 2.93Å; G327-D362 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 328 | V | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.3 | -31.5 | -172.8 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | F308 V311 R330 W331 I332 L356 D362 | F308-V328 HydrophobicContact CD1-CB 4.46Å; V311-V328 HydrophobicContact CB-CG1 4.03Å; V311-V328 HydrophobicContact CG1-CG1 4.06Å; V328-R330 VanDerWaalsContact C-N 3.32Å; V328-R330 PolarHBondContact O-N 2.8Å; V328-W331 WeakPolarHBondContact O-CB 3.5Å; V328-W331 PolarHBondContact O-N 3.03Å; V328-I332 HydrophobicContact CB-CD1 4.18Å; V328-I332 HydrophobicContact CG2-CD1 4.02Å; V328-I332 VanDerWaalsContact O-CG1 3.31Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.93Å; V328-L356 HydrophobicContact CG1-CD1 4.3Å; V328-L356 HydrophobicContact CG2-CD1 4.37Å; V328-L356 HydrophobicContact CG2-CD2 4.21Å; V328-D362 HydrophobicContact CG2-CB 3.7Å; V328-D362 PolarHBondContact N-OD2 2.73Å |
| 329 | I | 95.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | -173.2 | -53.5 | -56.9 | 0 | 0 | 0 | 112.3 | G327 W331 I332 R333 E365 F366 L369 M378 | G327-I329 VanDerWaalsContact C-N 3.35Å; G327-I329 PolarHBondContact O-N 2.93Å; I329-W331 VanDerWaalsContact C-N 3.31Å; I329-W331 PolarHBondContact O-N 2.9Å; I329-I332 PolarHBondContact O-N 2.87Å; I329-R333 PolarHBondContact O-N 3.1Å; I329-E365 HydrophobicContact CD1-CB 4.29Å; I329-E365 HydrophobicContact CG1-CB 4.13Å; I329-F366 HydrophobicContact CD1-CB 3.97Å; I329-F366 HydrophobicContact CD1-CD2 4.46Å; I329-L369 HydrophobicContact CD1-CD2 4Å; I329-L369 HydrophobicContact CD1-CG 4.29Å; I329-L369 HydrophobicContact CG2-CD2 3.81Å; I329-M378 HydrophobicContact CB-CE 3.76Å; I329-M378 HydrophobicContact CG1-CE 4.05Å; I329-M378 HydrophobicContact CG2-CB 4.14Å; I329-M378 HydrophobicContact CG2-CE 3.64Å; I329-M378 HydrophobicContact CG2-SD 4.03Å |
| 330 | R | 93.5 | Very high | 90.6 | Very high | 164 Ų | 164 | 51.1 Ų | 51.1 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 179 | -65 | -172.4 | -179.9 | -163.1 | 0.3 | 112.3 | V328 | V328-R330 VanDerWaalsContact C-N 3.32Å; V328-R330 PolarHBondContact O-N 2.8Å |
| 331 | W | 96.4 | Very high | 90.9 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.2 | -39.1 | 176.2 | -59.5 | 117.2 | 0 | 0 | 0 | 111.8 | L284 I287 Y288 F308 V328 I329 R333 L334 V335 | L284-W331 HydrophobicContact CD1-CH2 3.74Å; L284-W331 HydrophobicContact CD1-CZ3 4.36Å; I287-W331 HydrophobicContact CB-CE3 4.49Å; I287-W331 HydrophobicContact CD1-CD2 3.91Å; I287-W331 HydrophobicContact CD1-CE3 4.39Å; I287-W331 HydrophobicContact CD1-CG 4.24Å; I287-W331 HydrophobicContact CD1-CH2 4.49Å; I287-W331 HydrophobicContact CD1-CZ2 4.01Å; I287-W331 HydrophobicContact CG2-CB 4.36Å; I287-W331 HydrophobicContact CG2-CD2 3.88Å; I287-W331 HydrophobicContact CG2-CE3 3.52Å; I287-W331 HydrophobicContact CG2-CG 4.25Å; I287-W331 HydrophobicContact CG2-CZ3 4.07Å; Y288-W331 HydrophobicContact CD2-CZ3 4.42Å; Y288-W331 HydrophobicContact CE2-CH2 4.46Å; Y288-W331 AromaticContact CE2-CZ3 3.86Å; Y288-W331 HydrophobicContact CE2-CZ3 3.86Å; F308-W331 HydrophobicContact CE1-CB 3.73Å; V328-W331 WeakPolarHBondContact O-CB 3.5Å; V328-W331 PolarHBondContact O-N 3.03Å; I329-W331 VanDerWaalsContact C-N 3.31Å; I329-W331 PolarHBondContact O-N 2.9Å; W331-R333 PolarHBondContact O-N 2.93Å; W331-L334 HydrophobicContact CE3-CD1 3.82Å; W331-L334 HydrophobicContact CZ3-CD1 4.03Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 2.88Å; W331-V335 PolarHBondContact O-N 3.21Å |
| 332 | I | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -32.5 | 175.5 | -66.6 | 167.2 | 0 | 0 | 0 | 111.2 | F308 V328 I329 L334 V335 N336 V354 F366 L369 A380 V383 | F308-I332 HydrophobicContact CD1-CG1 4.21Å; F308-I332 HydrophobicContact CE1-CG1 4.18Å; F308-I332 HydrophobicContact CE2-CG1 4.47Å; F308-I332 HydrophobicContact CG-CG1 4.38Å; F308-I332 HydrophobicContact CZ-CG1 4.3Å; V328-I332 HydrophobicContact CB-CD1 4.18Å; V328-I332 HydrophobicContact CG2-CD1 4.02Å; V328-I332 VanDerWaalsContact O-CG1 3.31Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.93Å; I329-I332 PolarHBondContact O-N 2.87Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 2.81Å; I332-V335 WeakPolarHBondContact O-CA 3.21Å; I332-V335 VanDerWaalsContact O-CB 3.28Å; I332-V335 WeakPolarHBondContact O-CB 3.4Å; I332-V335 PolarHBondContact O-N 3.1Å; I332-V335 VanDerWaalsContact O-N 3.13Å; I332-N336 PolarHBondContact O-N 3.12Å; I332-V354 HydrophobicContact CD1-CG1 3.81Å; I332-V354 HydrophobicContact CG1-CG1 3.98Å; I332-V354 HydrophobicContact CG2-CG2 4.39Å; I332-F366 HydrophobicContact CD1-CD2 3.67Å; I332-F366 HydrophobicContact CD1-CE2 3.76Å; I332-L369 HydrophobicContact CD1-CD1 4.25Å; I332-L369 HydrophobicContact CG2-CD1 3.91Å; I332-L369 HydrophobicContact CG2-CD2 4.43Å; I332-A380 HydrophobicContact CG2-CB 4.05Å; I332-V383 HydrophobicContact CG2-CB 4.42Å; I332-V383 HydrophobicContact CG2-CG1 4.08Å; I332-V383 HydrophobicContact CG2-CG2 4.14Å |
| 333 | R | 94.2 | Very high | 90.4 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 172 | -172.8 | 180 | 175.3 | 167.1 | 11.9 | 112.7 | I329 W331 V335 N336 D337 R377 | I329-R333 PolarHBondContact O-N 3.1Å; W331-R333 PolarHBondContact O-N 2.93Å; R333-V335 PolarHBondContact O-N 3.38Å; R333-N336 VanDerWaalsContact O-CB 3.28Å; R333-N336 WeakPolarHBondContact O-CB 3.48Å; R333-N336 PolarHBondContact O-N 3.43Å; R333-N336 VanDerWaalsContact O-N 3.16Å; R333-D337 PolarHBondContact O-N 3.31Å; R333-R377 PolarHBondContact NH1-O 3.29Å |
| 334 | L | 95.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -33.7 | 173.6 | -59.9 | -179 | 0 | 0 | 0 | 111.5 | L291 W331 I332 T338 | L291-L334 HydrophobicContact CD1-CB 3.74Å; L291-L334 HydrophobicContact CD1-CD1 3.99Å; L291-L334 HydrophobicContact CD2-CB 4.19Å; W331-L334 HydrophobicContact CE3-CD1 3.82Å; W331-L334 HydrophobicContact CZ3-CD1 4.03Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 2.88Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 2.81Å; L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.2Å; L334-T338 PolarHBondContact O-OG1 2.92Å |
| 335 | V | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | L291 F294 M306 F308 W331 I332 R333 T338 A339 V352 V354 V383 | L291-V335 HydrophobicContact CD2-CB 4.19Å; L291-V335 HydrophobicContact CD2-CG2 3.51Å; F294-V335 HydrophobicContact CD1-CG1 4.2Å; F294-V335 HydrophobicContact CE1-CG1 4.04Å; F294-V335 WeakPolarHBondContact CE1-O 3.45Å; M306-V335 HydrophobicContact CE-CG2 4.16Å; M306-V335 HydrophobicContact SD-CG1 3.82Å; M306-V335 HydrophobicContact SD-CG2 3.89Å; F308-V335 HydrophobicContact CE2-CG2 3.98Å; F308-V335 HydrophobicContact CZ-CG2 3.65Å; W331-V335 PolarHBondContact O-N 3.21Å; I332-V335 WeakPolarHBondContact O-CA 3.21Å; I332-V335 VanDerWaalsContact O-CB 3.28Å; I332-V335 WeakPolarHBondContact O-CB 3.4Å; I332-V335 PolarHBondContact O-N 3.1Å; I332-V335 VanDerWaalsContact O-N 3.13Å; R333-V335 PolarHBondContact O-N 3.38Å; V335-T338 PolarHBondContact O-N 3.3Å; V335-A339 PolarHBondContact O-N 3.25Å; V335-V352 HydrophobicContact CG1-CB 4.21Å; V335-V352 HydrophobicContact CG1-CG1 3.58Å; V335-V352 HydrophobicContact CG1-CG2 3.71Å; V335-V354 HydrophobicContact CG1-CG2 4.35Å; V335-V383 HydrophobicContact CG1-CG2 4.37Å |
| 336 | N | 93.4 | Very high | 86.1 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.2 | -54.6 | 174.4 | -169.5 | 96.5 | 0 | 0 | 0 | 111.4 | I332 R333 T338 A339 V340 A380 H381 D382 V383 | I332-N336 PolarHBondContact O-N 3.12Å; R333-N336 VanDerWaalsContact O-CB 3.28Å; R333-N336 WeakPolarHBondContact O-CB 3.48Å; R333-N336 PolarHBondContact O-N 3.43Å; R333-N336 VanDerWaalsContact O-N 3.16Å; N336-T338 PolarHBondContact O-N 2.7Å; N336-A339 WeakPolarHBondContact O-CB 3.42Å; N336-A339 PolarHBondContact O-N 3.09Å; N336-V340 WeakPolarHBondContact O-CG2 3.2Å; N336-V340 PolarHBondContact O-N 3.37Å; N336-A380 HydrophobicContact CB-CB 3.89Å; N336-A380 VanDerWaalsContact OD1-CA 3.28Å; N336-A380 WeakPolarHBondContact OD1-CA 3.28Å; N336-H381 PolarHBondContact OD1-N 3.32Å; N336-D382 PolarHBondContact ND2-OD2 2.92Å; N336-D382 WeakPolarHBondContact OD1-CB 3.39Å; N336-D382 PolarHBondContact OD1-N 3.08Å; N336-D382 PolarHBondContact OD1-OD2 3.07Å; N336-V383 HydrophobicContact CB-CG2 3.84Å |
| 337 | D | 92.9 | Very high | 84.4 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -32.2 | -176.9 | -64.8 | -16.9 | 0 | 0 | 0 | 111.5 | R333 A341 | R333-D337 PolarHBondContact O-N 3.31Å; D337-A341 WeakPolarHBondContact O-CB 3.47Å; D337-A341 PolarHBondContact O-N 3.27Å |
| 338 | T | 92.3 | Very high | 82.6 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 172.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | F294 A295 L334 V335 N336 V340 A341 V342 | F294-T338 HydrophobicContact CD1-CG2 3.64Å; F294-T338 HydrophobicContact CE1-CG2 3.98Å; F294-T338 HydrophobicContact CG-CG2 4.46Å; A295-T338 HydrophobicContact CB-CG2 3.86Å; L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.2Å; L334-T338 PolarHBondContact O-OG1 2.92Å; V335-T338 PolarHBondContact O-N 3.3Å; N336-T338 PolarHBondContact O-N 2.7Å; T338-V340 VanDerWaalsContact C-N 3.3Å; T338-V340 PolarHBondContact O-N 2.91Å; T338-A341 PolarHBondContact O-N 3.31Å; T338-V342 HydrophobicContact CG2-CG2 4.34Å; T338-V342 WeakPolarHBondContact O-CG2 3.48Å; T338-V342 PolarHBondContact O-N 3.4Å |
| 339 | A | 88.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | F294 V335 N336 G350 V352 | F294-A339 HydrophobicContact CE1-CB 3.86Å; F294-A339 HydrophobicContact CZ-CB 3.75Å; V335-A339 PolarHBondContact O-N 3.25Å; N336-A339 WeakPolarHBondContact O-CB 3.42Å; N336-A339 PolarHBondContact O-N 3.09Å; A339-G350 WeakPolarHBondContact O-CA 3.2Å; A339-G350 PolarHBondContact O-N 3.34Å; A339-V352 HydrophobicContact CB-CG1 4.2Å |
| 340 | V | 88.3 | Confident | 80.3 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.2 | -43.6 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | N336 T338 D382 | N336-V340 WeakPolarHBondContact O-CG2 3.2Å; N336-V340 PolarHBondContact O-N 3.37Å; T338-V340 VanDerWaalsContact C-N 3.3Å; T338-V340 PolarHBondContact O-N 2.91Å; V340-D382 HydrophobicContact CG2-CB 4.26Å; V340-D382 VanDerWaalsContact CG2-OD2 3.26Å; V340-D382 WeakPolarHBondContact CG2-OD2 3.42Å |
| 341 | A | 88 | Confident | 80 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 69% | 0.694 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71 | -32.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D337 T338 D343 | D337-A341 WeakPolarHBondContact O-CB 3.47Å; D337-A341 PolarHBondContact O-N 3.27Å; T338-A341 PolarHBondContact O-N 3.31Å; A341-D343 PolarHBondContact O-N 2.83Å |
| 342 | V | 84.1 | Confident | 79.9 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 52.4 | -178.1 | -163 | 0 | 0 | 0 | 0 | 110.8 | A295 S298 K299 T338 Q344 | A295-V342 HydrophobicContact CB-CG2 4.14Å; S298-V342 PolarHBondContact OG-O 2.98Å; K299-V342 HydrophobicContact CB-CG1 3.99Å; T338-V342 HydrophobicContact CG2-CG2 4.34Å; T338-V342 WeakPolarHBondContact O-CG2 3.48Å; T338-V342 PolarHBondContact O-N 3.4Å; V342-Q344 VanDerWaalsContact C-N 3.35Å; V342-Q344 PolarHBondContact O-N 3.3Å |
| 343 | D | 69.1 | Low | 79.9 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | trans | -85.7 | 69.1 | 176.8 | -176.8 | 2.8 | 0 | 0 | 0 | 111.4 | A341 L345 G346 Q349 | A341-D343 PolarHBondContact O-N 2.83Å; D343-L345 WeakPolarHBondContact O-CA 3.29Å; D343-L345 PolarHBondContact O-N 2.89Å; D343-G346 PolarHBondContact O-N 3.44Å; D343-Q349 VanDerWaalsContact OD1-CA 3.23Å; D343-Q349 WeakPolarHBondContact OD1-CA 3.43Å; D343-Q349 PolarHBondContact OD1-N 2.9Å; D343-Q349 VanDerWaalsContact OD1-N 3.15Å | ||
| 344 | Q | 64.3 | Low | 80.1 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | 28.6 | 41.3 | 155.1 | -56.5 | 175.9 | 31.6 | 0 | 0 | 118.5 | S298 G301 V342 G346 M347 R348 | S298-Q344 WeakPolarHBondContact O-CG 3.36Å; S298-Q344 PolarHBondContact O-NE2 3.38Å; G301-Q344 VanDerWaalsContact CA-CD 3.45Å; V342-Q344 VanDerWaalsContact C-N 3.35Å; V342-Q344 PolarHBondContact O-N 3.3Å; Q344-G346 PolarHBondContact O-N 2.87Å; Q344-G346 VanDerWaalsContact O-N 3.11Å; Q344-M347 WeakPolarHBondContact O-CB 3.34Å; Q344-M347 PolarHBondContact O-N 2.91Å; Q344-M347 VanDerWaalsContact O-N 3.09Å; Q344-R348 WeakPolarHBondContact CB-O 3.39Å; Q344-R348 WeakPolarHBondContact CG-O 3.43Å; Q344-R348 PolarHBondContact NE2-O 3.12Å; Q344-R348 VanDerWaalsContact OE1-CB 3.23Å |
| 345 | L | 51.5 | Low | 80.3 | Confident | 187 Ų | 187 | 51.8 Ų | 51.8 | 98% | 0.979 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | 51.4 | 30 | -172.9 | -56.4 | 169.1 | 0 | 0 | 0 | 113.3 | D343 | D343-L345 WeakPolarHBondContact O-CA 3.29Å; D343-L345 PolarHBondContact O-N 2.89Å |
| 346 | G | 50.2 | Low | 80.4 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | 78.2 | 10.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | D343 Q344 | D343-G346 PolarHBondContact O-N 3.44Å; Q344-G346 PolarHBondContact O-N 2.87Å; Q344-G346 VanDerWaalsContact O-N 3.11Å |
| 347 | M | 50.3 | Low | 80.7 | Confident | 160 Ų | 160 | 51.2 Ų | 51.2 | 79% | 0.788 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -78.5 | -33.9 | 176.5 | -74.6 | -81 | -175.3 | 0 | 0 | 112.8 | Q344 | Q344-M347 WeakPolarHBondContact O-CB 3.34Å; Q344-M347 PolarHBondContact O-N 2.91Å; Q344-M347 VanDerWaalsContact O-N 3.09Å |
| 348 | R | 56.8 | Low | 81 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -163.9 | 130.5 | 179.1 | -95.7 | -176.6 | 175.1 | 165.6 | -0.6 | 110.2 | R206 Q344 | R206-R348 VanDerWaalsContact NH2-NE 3.15Å; Q344-R348 WeakPolarHBondContact CB-O 3.39Å; Q344-R348 WeakPolarHBondContact CG-O 3.43Å; Q344-R348 PolarHBondContact NE2-O 3.12Å; Q344-R348 VanDerWaalsContact OE1-CB 3.23Å |
| 349 | Q | 66 | Low | 81.3 | Confident | 144 Ų | 144 | 46.3 Ų | 46.3 | 67% | 0.673 | 27% | 0.266 | S | S | * | . | trans | -57.3 | 140.8 | 171.4 | -70.7 | -179 | -42.4 | 0 | 0 | 111.3 | D343 A351 | D343-Q349 VanDerWaalsContact OD1-CA 3.23Å; D343-Q349 WeakPolarHBondContact OD1-CA 3.43Å; D343-Q349 PolarHBondContact OD1-N 2.9Å; D343-Q349 VanDerWaalsContact OD1-N 3.15Å; Q349-A351 PolarHBondContact O-N 3.2Å | ||
| 350 | G | 77.3 | Confident | 81.7 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | trans | -58.6 | 134.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A339 | A339-G350 WeakPolarHBondContact O-CA 3.2Å; A339-G350 PolarHBondContact O-N 3.34Å | ||
| 351 | A | 87.5 | Confident | 82.2 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 21% | 0.207 | 25% | 0.246 | C | C | . | . | trans | -133 | 130.5 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | G303 M304 Q349 F384 L491 | G303-A351 WeakPolarHBondContact CA-O 3.35Å; M304-A351 PolarHBondContact N-O 3.46Å; Q349-A351 PolarHBondContact O-N 3.2Å; A351-F384 HydrophobicContact CB-CE2 4.46Å; A351-L491 HydrophobicContact CB-CD1 4.18Å; A351-L491 HydrophobicContact CB-CD2 3.53Å | ||
| 352 | V | 95 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 130.9 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | F294 M304 M306 V335 A339 V354 V383 F384 | F294-V352 HydrophobicContact CE1-CB 4.24Å; F294-V352 HydrophobicContact CE1-CG1 4.09Å; F294-V352 HydrophobicContact CE2-CB 4.05Å; F294-V352 HydrophobicContact CZ-CB 3.71Å; F294-V352 HydrophobicContact CZ-CG1 3.85Å; F294-V352 HydrophobicContact CZ-CG2 4.44Å; M304-V352 HydrophobicContact CB-CB 4.17Å; M304-V352 HydrophobicContact CB-CG2 3.93Å; M304-V352 HydrophobicContact CG-CG2 4.33Å; M304-V352 CarbonylContact O-C 3.55Å; M304-V352 VanDerWaalsContact O-CA 3.28Å; M304-V352 WeakPolarHBondContact O-CA 3.42Å; M306-V352 HydrophobicContact CG-CG2 3.98Å; M306-V352 HydrophobicContact SD-CG2 3.96Å; V335-V352 HydrophobicContact CG1-CB 4.21Å; V335-V352 HydrophobicContact CG1-CG1 3.58Å; V335-V352 HydrophobicContact CG1-CG2 3.71Å; A339-V352 HydrophobicContact CB-CG1 4.2Å; V352-V354 HydrophobicContact CG2-CG2 4.36Å; V352-V383 HydrophobicContact CG1-CG2 4.05Å; V352-F384 WeakPolarHBondContact O-CD2 3.28Å; V352-F384 PolarHBondContact O-N 2.88Å |
| 353 | A | 97.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | M304 G305 M306 Y355 F384 F467 L491 | M304-A353 PolarHBondContact O-N 3.34Å; G305-A353 CarbonylContact C-O 3.53Å; G305-A353 WeakPolarHBondContact CA-O 3.34Å; M306-A353 PolarHBondContact N-O 2.83Å; A353-Y355 HydrophobicContact CB-CD2 4.39Å; A353-Y355 HydrophobicContact CB-CE2 3.68Å; A353-F384 CarbonylContact C-O 3.54Å; A353-F384 WeakPolarHBondContact CA-O 3.35Å; A353-F384 HydrophobicContact CB-CB 4.29Å; A353-F467 HydrophobicContact CB-CD2 4.31Å; A353-F467 HydrophobicContact CB-CE2 4.07Å; A353-L491 HydrophobicContact CB-CD1 4.15Å |
| 354 | V | 98.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.6 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 108.8 | M306 F308 I332 V335 V352 F366 V383 F384 P385 A386 | M306-V354 HydrophobicContact CB-CG2 4.46Å; M306-V354 CarbonylContact O-C 3.59Å; M306-V354 WeakPolarHBondContact O-CA 3.49Å; F308-V354 HydrophobicContact CB-CG1 4.19Å; F308-V354 HydrophobicContact CD2-CB 4.49Å; F308-V354 HydrophobicContact CD2-CG1 3.53Å; F308-V354 HydrophobicContact CD2-CG2 4.27Å; F308-V354 HydrophobicContact CE2-CG1 4.17Å; F308-V354 HydrophobicContact CE2-CG2 4.12Å; F308-V354 HydrophobicContact CG-CG1 4.04Å; I332-V354 HydrophobicContact CD1-CG1 3.81Å; I332-V354 HydrophobicContact CG1-CG1 3.98Å; I332-V354 HydrophobicContact CG2-CG2 4.39Å; V335-V354 HydrophobicContact CG1-CG2 4.35Å; V352-V354 HydrophobicContact CG2-CG2 4.36Å; V354-F366 HydrophobicContact CB-CE2 4.31Å; V354-F366 HydrophobicContact CG1-CE2 3.76Å; V354-F366 HydrophobicContact CG1-CZ 4.24Å; V354-F366 WeakPolarHBondContact O-CZ 3.34Å; V354-V383 HydrophobicContact CB-CG1 3.8Å; V354-V383 HydrophobicContact CG2-CG1 3.51Å; V354-F384 PolarHBondContact N-O 2.86Å; V354-P385 CarbonylContact O-C 3.48Å; V354-A386 PolarHBondContact O-N 2.95Å |
| 355 | Y | 98.8 | Very high | 86 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.1 | -179.2 | -68.9 | -107.5 | 0 | 0 | 0 | 111.3 | M306 F308 A353 A386 F469 C488 S489 N490 T493 | M306-Y355 PolarHBondContact O-N 3.46Å; F308-Y355 PolarHBondContact N-O 3.22Å; A353-Y355 HydrophobicContact CB-CD2 4.39Å; A353-Y355 HydrophobicContact CB-CE2 3.68Å; Y355-A386 WeakPolarHBondContact CA-O 3.43Å; Y355-A386 HydrophobicContact CD1-CB 3.29Å; Y355-A386 HydrophobicContact CD2-CB 3.97Å; Y355-A386 HydrophobicContact CE1-CB 3.31Å; Y355-A386 HydrophobicContact CE2-CB 3.98Å; Y355-A386 HydrophobicContact CG-CB 3.62Å; Y355-F469 HydrophobicContact CD1-CB 4.23Å; Y355-F469 HydrophobicContact CE1-CB 4.12Å; Y355-C488 VanDerWaalsContact CB-CB 3.44Å; Y355-C488 HydrophobicContact CD1-CB 3.72Å; Y355-C488 HydrophobicContact CD2-CB 3.81Å; Y355-C488 HydrophobicContact CE1-CB 4.39Å; Y355-C488 HydrophobicContact CE2-CB 4.48Å; Y355-C488 HydrophobicContact CG-CB 3.4Å; Y355-S489 WeakPolarHBondContact CE2-O 3.49Å; Y355-S489 WeakPolarHBondContact OH-CB 3.33Å; Y355-N490 PolarHBondContact OH-O 3.23Å; Y355-T493 WeakPolarHBondContact OH-CG2 3.21Å |
| 356 | L | 98.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.4 | 176.7 | -163.8 | 71.7 | 0 | 0 | 0 | 110.4 | F308 V328 H360 F366 A386 V387 C388 | F308-L356 HydrophobicContact CB-CD1 4.21Å; V328-L356 HydrophobicContact CG1-CD1 4.3Å; V328-L356 HydrophobicContact CG2-CD1 4.37Å; V328-L356 HydrophobicContact CG2-CD2 4.21Å; L356-H360 HydrophobicContact CD1-CB 4.09Å; L356-H360 HydrophobicContact CD2-CB 4.07Å; L356-H360 HydrophobicContact CG-CB 3.8Å; L356-F366 HydrophobicContact CB-CD1 4.05Å; L356-F366 HydrophobicContact CB-CD2 4.44Å; L356-F366 HydrophobicContact CB-CE1 3.93Å; L356-F366 HydrophobicContact CB-CE2 4.35Å; L356-F366 HydrophobicContact CB-CG 4.3Å; L356-F366 HydrophobicContact CB-CZ 4.08Å; L356-F366 HydrophobicContact CD2-CB 3.73Å; L356-F366 HydrophobicContact CD2-CD1 4.04Å; L356-F366 HydrophobicContact CD2-CD2 4.15Å; L356-F366 HydrophobicContact CD2-CG 3.71Å; L356-A386 PolarHBondContact N-O 3.28Å; L356-V387 CarbonylContact O-C 3.59Å; L356-V387 VanDerWaalsContact O-CA 3.26Å; L356-V387 WeakPolarHBondContact O-CA 3.44Å; L356-C388 PolarHBondContact O-N 2.97Å |
| 357 | D | 98.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 146.7 | 178.1 | -78.4 | -75.2 | 0 | 0 | 0 | 114.1 | Y307 W359 H360 C388 R471 | Y307-D357 PolarHBondContact OH-OD2 2.91Å; D357-W359 HydrophobicContact CB-CD2 4.18Å; D357-W359 HydrophobicContact CB-CG 4.11Å; D357-W359 HydrophobicContact CB-CZ2 4.35Å; D357-W359 VanDerWaalsContact CB-NE1 3.32Å; D357-W359 PolarHBondContact O-N 3.22Å; D357-W359 PolarHBondContact OD1-NE1 2.89Å; D357-H360 HydrophobicContact CB-CB 4.43Å; D357-H360 WeakPolarHBondContact O-CB 3.38Å; D357-H360 PolarHBondContact O-N 3.26Å; D357-C388 WeakPolarHBondContact OD1-CB 3.45Å; D357-R471 IonicContact OD1-CZ 3.63Å; D357-R471 IonicContact OD1-NE 2.76Å; D357-R471 PolarHBondContact OD1-NE 3.24Å; D357-R471 IonicContact OD1-NH2 3.28Å; D357-R471 PolarHBondContact OD1-NH2 3.45Å; D357-R471 IonicContact OD2-NH2 3.48Å; D357-R471 PolarHBondContact OD2-NH2 3.36Å |
| 358 | A | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L363 V387 C388 Y389 W405 L407 | A358-L363 VanDerWaalsContact O-CD2 3.28Å; A358-L363 WeakPolarHBondContact O-CD2 3.2Å; A358-V387 HydrophobicContact CB-CG1 3.9Å; A358-C388 WeakPolarHBondContact CB-O 3.22Å; A358-C388 PolarHBondContact N-O 3.35Å; A358-Y389 HydrophobicContact CB-CD1 3.71Å; A358-Y389 HydrophobicContact CB-CE1 4.14Å; A358-W405 PolarHBondContact O-NE1 3.24Å; A358-L407 WeakPolarHBondContact O-CD2 3.22Å |
| 359 | W | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -1.1 | 176.2 | 59.9 | -93 | 0 | 0 | 0 | 113.3 | D357 W405 L407 M408 P410 I413 L421 E422 W429 Y433 | D357-W359 HydrophobicContact CB-CD2 4.18Å; D357-W359 HydrophobicContact CB-CG 4.11Å; D357-W359 HydrophobicContact CB-CZ2 4.35Å; D357-W359 VanDerWaalsContact CB-NE1 3.32Å; D357-W359 PolarHBondContact O-N 3.22Å; D357-W359 PolarHBondContact OD1-NE1 2.89Å; W359-W405 HydrophobicContact CB-CZ2 4.18Å; W359-L407 CarbonylContact O-C 3.56Å; W359-L407 WeakPolarHBondContact O-CA 3.4Å; W359-M408 PolarHBondContact O-N 3.14Å; W359-P410 HydrophobicContact CH2-CB 4.17Å; W359-P410 HydrophobicContact CZ3-CB 4.47Å; W359-I413 HydrophobicContact CE3-CD1 4.41Å; W359-I413 HydrophobicContact CH2-CD1 4.36Å; W359-I413 HydrophobicContact CZ3-CD1 3.75Å; W359-L421 HydrophobicContact CD2-CD2 4.03Å; W359-L421 HydrophobicContact CE3-CD2 4.04Å; W359-L421 HydrophobicContact CH2-CB 3.98Å; W359-L421 HydrophobicContact CH2-CD2 4.16Å; W359-L421 HydrophobicContact CH2-CG 4.31Å; W359-L421 HydrophobicContact CZ2-CB 4.11Å; W359-L421 HydrophobicContact CZ2-CD2 4.1Å; W359-L421 HydrophobicContact CZ2-CG 4.07Å; W359-L421 HydrophobicContact CZ3-CD2 4.14Å; W359-E422 HydrophobicContact CH2-CB 4.4Å; W359-E422 HydrophobicContact CZ2-CB 3.81Å; W359-W429 HydrophobicContact CB-CZ2 4.4Å; W359-W429 AromaticContact CD1-CZ2 3.3Å; W359-W429 HydrophobicContact CD2-CZ2 4.48Å; W359-W429 AromaticContact CG-CZ2 3.83Å; W359-W429 HydrophobicContact CG-CZ2 3.83Å; W359-W429 AromaticContact NE1-CE2 3.97Å; W359-W429 AromaticContact NE1-CZ2 3.65Å; W359-W429 AromaticContact NE1-NE1 3.73Å; W359-Y433 HydrophobicContact CB-CE2 4.07Å |
| 360 | H | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 135.9 | -178.7 | -168.9 | -84.5 | 0 | 0 | 0 | 111.3 | V311 L356 D357 D362 L363 P410 | V311-H360 PolarHBondContact O-NE2 2.91Å; L356-H360 HydrophobicContact CD1-CB 4.09Å; L356-H360 HydrophobicContact CD2-CB 4.07Å; L356-H360 HydrophobicContact CG-CB 3.8Å; D357-H360 HydrophobicContact CB-CB 4.43Å; D357-H360 WeakPolarHBondContact O-CB 3.38Å; D357-H360 PolarHBondContact O-N 3.26Å; H360-D362 VanDerWaalsContact C-N 3.25Å; H360-D362 IonicContact CE1-OD2 2.74Å; H360-D362 PolarHBondContact ND1-N 3.04Å; H360-D362 PolarHBondContact O-N 3.33Å; H360-D362 VanDerWaalsContact O-N 3.16Å; H360-L363 WeakPolarHBondContact O-CB 3.44Å; H360-L363 PolarHBondContact O-N 3.34Å; H360-P410 WeakPolarHBondContact NE2-CD 3.47Å |
| 361 | R | 98 | Very high | 94.7 | Very high | 17 Ų | 17 | 12.4 Ų | 12.4 | 6% | 0.064 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.5 | -175 | -173.2 | 167.7 | 72.5 | -158.4 | 0.2 | 115.1 | A313 A314 L363 L407 M408 E412 E443 R445 | A313-R361 HydrophobicContact CB-CB 3.72Å; A313-R361 HydrophobicContact CB-CG 4.4Å; A314-R361 PolarHBondContact O-NE 3.44Å; A314-R361 PolarHBondContact O-NH2 2.93Å; R361-L363 VanDerWaalsContact C-N 3.33Å; R361-L407 HydrophobicContact CB-CB 4.47Å; R361-M408 WeakPolarHBondContact CB-O 3.45Å; R361-M408 PolarHBondContact N-O 2.64Å; R361-E412 IonicContact CZ-OE1 2.9Å; R361-E412 IonicContact NH1-OE1 2.99Å; R361-E412 PolarHBondContact NH1-OE1 3.41Å; R361-E412 IonicContact NH1-OE2 3.54Å; R361-E412 PolarHBondContact NH1-OE2 3.39Å; R361-E412 IonicContact NH2-OE1 3.92Å; R361-E412 PolarHBondContact NH2-OE1 3.05Å; R361-E412 VanDerWaalsContact NH2-OE1 3.1Å; R361-E443 IonicContact NH1-OE2 3.39Å; R361-R445 HydrophobicContact CG-CB 4.19Å; R361-R445 PolarHBondContact O-NH1 3.34Å |
| 362 | D | 98 | Very high | 93.9 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.2 | 178.6 | -63.2 | -8.1 | 0 | 0 | 0 | 114 | A313 A314 G327 V328 H360 E365 F366 | A313-D362 WeakPolarHBondContact CA-OD2 3.49Å; A313-D362 WeakPolarHBondContact CB-OD1 3.33Å; A314-D362 PolarHBondContact N-OD1 3.01Å; A314-D362 PolarHBondContact N-OD2 2.56Å; G327-D362 WeakPolarHBondContact CA-OD2 3.33Å; V328-D362 HydrophobicContact CG2-CB 3.7Å; V328-D362 PolarHBondContact N-OD2 2.73Å; H360-D362 VanDerWaalsContact C-N 3.25Å; H360-D362 IonicContact CE1-OD2 2.74Å; H360-D362 PolarHBondContact ND1-N 3.04Å; H360-D362 PolarHBondContact O-N 3.33Å; H360-D362 VanDerWaalsContact O-N 3.16Å; D362-E365 PolarHBondContact O-N 2.96Å; D362-F366 WeakPolarHBondContact O-CB 3.31Å; D362-F366 PolarHBondContact O-N 3.45Å |
| 363 | L | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.9 | -45.4 | -176.3 | 178.2 | 74.2 | 0 | 0 | 0 | 113.9 | A358 H360 R361 E365 F366 L367 V387 L407 I452 | A358-L363 VanDerWaalsContact O-CD2 3.28Å; A358-L363 WeakPolarHBondContact O-CD2 3.2Å; H360-L363 WeakPolarHBondContact O-CB 3.44Å; H360-L363 PolarHBondContact O-N 3.34Å; R361-L363 VanDerWaalsContact C-N 3.33Å; L363-E365 VanDerWaalsContact C-N 3.32Å; L363-E365 PolarHBondContact O-N 2.94Å; L363-F366 HydrophobicContact CD1-CD1 4.22Å; L363-F366 WeakPolarHBondContact O-CB 3.38Å; L363-F366 PolarHBondContact O-N 3.07Å; L363-L367 HydrophobicContact CD1-CD1 4.35Å; L363-L367 HydrophobicContact CD1-CG 4.22Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 HydrophobicContact CG-CG 4.36Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 3.1Å; L363-V387 HydrophobicContact CD1-CG1 4.15Å; L363-V387 HydrophobicContact CD1-CG2 3.81Å; L363-L407 HydrophobicContact CD2-CD2 4.36Å; L363-I452 HydrophobicContact CD2-CD1 4.31Å; L363-I452 HydrophobicContact CD2-CG2 3.85Å |
| 364 | P | 95.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 28 Ų | 28 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -179 | -27.8 | 38.9 | 0 | 0 | 0 | 113.1 | L407 I452 L455 | P364-L407 HydrophobicContact CG-CD1 3.72Å; P364-I452 HydrophobicContact CG-CD1 4.27Å; P364-L455 HydrophobicContact CB-CD1 4.03Å |
| 365 | E | 94 | Very high | 90.2 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 176.3 | -65.4 | 70.4 | -154 | 0 | 0 | 111.2 | I329 D362 L363 L367 Q368 R445 | I329-E365 HydrophobicContact CD1-CB 4.29Å; I329-E365 HydrophobicContact CG1-CB 4.13Å; D362-E365 PolarHBondContact O-N 2.96Å; L363-E365 VanDerWaalsContact C-N 3.32Å; L363-E365 PolarHBondContact O-N 2.94Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 2.64Å; E365-Q368 WeakPolarHBondContact O-CB 3.27Å; E365-Q368 PolarHBondContact O-N 3.02Å; E365-R445 IonicContact OE1-CZ 3.73Å; E365-R445 VanDerWaalsContact OE1-CZ 3.28Å; E365-R445 IonicContact OE1-NH1 3.84Å; E365-R445 PolarHBondContact OE1-NH1 3.24Å; E365-R445 IonicContact OE1-NH2 3.42Å; E365-R445 PolarHBondContact OE1-NH2 3.43Å; E365-R445 IonicContact OE2-CZ 3.1Å; E365-R445 IonicContact OE2-NH1 2.95Å; E365-R445 PolarHBondContact OE2-NH1 2.74Å; E365-R445 IonicContact OE2-NH2 3.74Å |
| 366 | F | 96.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 175.6 | 175.7 | -101.2 | 0 | 0 | 0 | 112.5 | I329 I332 V354 L356 D362 L363 Q368 L369 P385 A386 V387 | I329-F366 HydrophobicContact CD1-CB 3.97Å; I329-F366 HydrophobicContact CD1-CD2 4.46Å; I332-F366 HydrophobicContact CD1-CD2 3.67Å; I332-F366 HydrophobicContact CD1-CE2 3.76Å; V354-F366 HydrophobicContact CB-CE2 4.31Å; V354-F366 HydrophobicContact CG1-CE2 3.76Å; V354-F366 HydrophobicContact CG1-CZ 4.24Å; V354-F366 WeakPolarHBondContact O-CZ 3.34Å; L356-F366 HydrophobicContact CB-CD1 4.05Å; L356-F366 HydrophobicContact CB-CD2 4.44Å; L356-F366 HydrophobicContact CB-CE1 3.93Å; L356-F366 HydrophobicContact CB-CE2 4.35Å; L356-F366 HydrophobicContact CB-CG 4.3Å; L356-F366 HydrophobicContact CB-CZ 4.08Å; L356-F366 HydrophobicContact CD2-CB 3.73Å; L356-F366 HydrophobicContact CD2-CD1 4.04Å; L356-F366 HydrophobicContact CD2-CD2 4.15Å; L356-F366 HydrophobicContact CD2-CG 3.71Å; D362-F366 WeakPolarHBondContact O-CB 3.31Å; D362-F366 PolarHBondContact O-N 3.45Å; L363-F366 HydrophobicContact CD1-CD1 4.22Å; L363-F366 WeakPolarHBondContact O-CB 3.38Å; L363-F366 PolarHBondContact O-N 3.07Å; F366-Q368 PolarHBondContact O-N 2.94Å; F366-Q368 VanDerWaalsContact O-N 3.15Å; F366-L369 HydrophobicContact CD2-CD1 3.42Å; F366-L369 VanDerWaalsContact CD2-CD1 3.42Å; F366-L369 HydrophobicContact CD2-CG 4.39Å; F366-L369 HydrophobicContact CE2-CD1 3.61Å; F366-L369 HydrophobicContact CG-CD1 4.25Å; F366-L369 WeakPolarHBondContact O-CB 3.5Å; F366-L369 VanDerWaalsContact O-CG 3.22Å; F366-L369 WeakPolarHBondContact O-CG 3.43Å; F366-L369 PolarHBondContact O-N 3.32Å; F366-P385 HydrophobicContact CD1-CB 4.42Å; F366-P385 HydrophobicContact CE1-CB 3.62Å; F366-P385 HydrophobicContact CE2-CB 4.05Å; F366-P385 HydrophobicContact CZ-CB 3.4Å; F366-P385 VanDerWaalsContact CZ-CB 3.4Å; F366-A386 WeakPolarHBondContact CE1-O 3.33Å; F366-V387 HydrophobicContact CD1-CG2 4.47Å; F366-V387 HydrophobicContact CE1-CG2 4.11Å |
| 367 | L | 94.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.5 | 175.1 | -66.9 | 172.9 | 0 | 0 | 0 | 113.6 | L363 E365 V387 L455 V456 P466 | L363-L367 HydrophobicContact CD1-CD1 4.35Å; L363-L367 HydrophobicContact CD1-CG 4.22Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 HydrophobicContact CG-CG 4.36Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 3.1Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 2.64Å; L367-V387 HydrophobicContact CD2-CG2 4.01Å; L367-L455 HydrophobicContact CD1-CB 3.67Å; L367-V456 HydrophobicContact CD1-CG2 3.81Å; L367-V456 HydrophobicContact CD2-CG2 4.16Å; L367-P466 HydrophobicContact CD2-CB 4.17Å; L367-P466 HydrophobicContact CD2-CG 3.6Å |
| 368 | Q | 90.2 | Very high | 87.7 | Confident | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.5 | 176.2 | -57.9 | -53.6 | -60.2 | 0 | 0 | 113.6 | E365 F366 R370 T371 K379 | E365-Q368 WeakPolarHBondContact O-CB 3.27Å; E365-Q368 PolarHBondContact O-N 3.02Å; F366-Q368 PolarHBondContact O-N 2.94Å; F366-Q368 VanDerWaalsContact O-N 3.15Å; Q368-R370 VanDerWaalsContact C-N 3.27Å; Q368-R370 PolarHBondContact O-N 3.23Å; Q368-R370 VanDerWaalsContact O-N 3.15Å; Q368-T371 PolarHBondContact O-N 3.24Å; Q368-T371 VanDerWaalsContact O-N 3.14Å; Q368-T371 PolarHBondContact O-OG1 3.44Å; Q368-K379 PolarHBondContact O-NZ 2.91Å |
| 369 | L | 90.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -37.8 | -172.1 | -81.2 | 174.4 | 0 | 0 | 0 | 114.7 | I329 I332 F366 K379 A380 | I329-L369 HydrophobicContact CD1-CD2 4Å; I329-L369 HydrophobicContact CD1-CG 4.29Å; I329-L369 HydrophobicContact CG2-CD2 3.81Å; I332-L369 HydrophobicContact CD1-CD1 4.25Å; I332-L369 HydrophobicContact CG2-CD1 3.91Å; I332-L369 HydrophobicContact CG2-CD2 4.43Å; F366-L369 HydrophobicContact CD2-CD1 3.42Å; F366-L369 VanDerWaalsContact CD2-CD1 3.42Å; F366-L369 HydrophobicContact CD2-CG 4.39Å; F366-L369 HydrophobicContact CE2-CD1 3.61Å; F366-L369 HydrophobicContact CG-CD1 4.25Å; F366-L369 WeakPolarHBondContact O-CB 3.5Å; F366-L369 VanDerWaalsContact O-CG 3.22Å; F366-L369 WeakPolarHBondContact O-CG 3.43Å; F366-L369 PolarHBondContact O-N 3.32Å; L369-K379 WeakPolarHBondContact O-CA 3.34Å; L369-A380 HydrophobicContact CD2-CB 4.04Å; L369-A380 PolarHBondContact O-N 3.46Å |
| 370 | R | 85.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 50 Ų | 50 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 0.2 | -175.6 | -57.5 | -167.9 | 80.3 | -158 | 2.9 | 114.1 | Q368 H381 V383 P385 T463 | Q368-R370 VanDerWaalsContact C-N 3.27Å; Q368-R370 PolarHBondContact O-N 3.23Å; Q368-R370 VanDerWaalsContact O-N 3.15Å; R370-H381 PolarHBondContact NE-O 3.35Å; R370-H381 PolarHBondContact NH2-O 3.38Å; R370-V383 VanDerWaalsContact CD-O 3.26Å; R370-V383 WeakPolarHBondContact CD-O 3.42Å; R370-V383 PolarHBondContact NE-O 2.84Å; R370-P385 HydrophobicContact CG-CG 4.35Å; R370-T463 HydrophobicContact CB-CG2 4.24Å |
| 371 | T | 76.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | trans | -74.5 | 141.1 | 178.9 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | Q368 N373 K379 | Q368-T371 PolarHBondContact O-N 3.24Å; Q368-T371 VanDerWaalsContact O-N 3.14Å; Q368-T371 PolarHBondContact O-OG1 3.44Å; T371-N373 PolarHBondContact O-N 3.04Å; T371-K379 WeakPolarHBondContact O-CD 3.32Å; T371-K379 WeakPolarHBondContact O-CE 3.49Å; T371-K379 PolarHBondContact O-NZ 3.19Å; T371-K379 VanDerWaalsContact O-NZ 3.13Å; T371-K379 PolarHBondContact OG1-NZ 3.46Å | ||
| 372 | N | 70.2 | Confident | 85.9 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.7 | -15.1 | -176.7 | -65.6 | -28.5 | 0 | 0 | 0 | 114.1 | ||
| 373 | N | 69.6 | Low | 85.7 | Confident | 137 Ų | 137 | 55 Ų | 55 | 73% | 0.733 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -105.3 | 144 | -176.1 | -64.1 | -28.4 | 0 | 0 | 0 | 111.5 | T371 K379 | T371-N373 PolarHBondContact O-N 3.04Å; N373-K379 VanDerWaalsContact O-CE 3.26Å; N373-K379 WeakPolarHBondContact O-CE 3.31Å; N373-K379 PolarHBondContact O-NZ 3.31Å |
| 374 | G | 68.8 | Low | 85.6 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 68% | 0.68 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 117.1 | -172.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D376 | G374-D376 PolarHBondContact O-N 2.86Š|
| 375 | D | 76.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | trans | -65.7 | 114.6 | 177.3 | -175.1 | -3.1 | 0 | 0 | 0 | 110.1 | R377 M378 | D375-R377 PolarHBondContact O-N 3.09Å; D375-R377 VanDerWaalsContact O-N 3.1Å; D375-R377 VanDerWaalsContact OD1-CB 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.49Å; D375-R377 WeakPolarHBondContact OD1-CG 3.42Å; D375-R377 PolarHBondContact OD1-N 3.36Å; D375-M378 HydrophobicContact CB-CG 4.25Å; D375-M378 WeakPolarHBondContact O-CB 3.35Å; D375-M378 PolarHBondContact O-N 2.85Å | ||
| 376 | D | 80.8 | Confident | 85.9 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -53.5 | -28.7 | 175.9 | -175.4 | 65 | 0 | 0 | 0 | 112 | G374 M378 K379 | G374-D376 PolarHBondContact O-N 2.86Å; D376-M378 PolarHBondContact O-N 2.94Å; D376-M378 VanDerWaalsContact O-N 3.09Å; D376-K379 WeakPolarHBondContact O-CB 3.38Å; D376-K379 PolarHBondContact O-N 3.35Å; D376-K379 VanDerWaalsContact O-N 3.1Å |
| 377 | R | 79.9 | Confident | 86 | Confident | 179 Ų | 179 | 53.4 Ų | 53.4 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.3 | -15.4 | 178 | -60.8 | 172.6 | 175 | 167.2 | -0.1 | 114.2 | R333 D375 | R333-R377 PolarHBondContact NH1-O 3.29Å; D375-R377 PolarHBondContact O-N 3.09Å; D375-R377 VanDerWaalsContact O-N 3.1Å; D375-R377 VanDerWaalsContact OD1-CB 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.49Å; D375-R377 WeakPolarHBondContact OD1-CG 3.42Å; D375-R377 PolarHBondContact OD1-N 3.36Å |
| 378 | M | 83.1 | Confident | 86.2 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -107.6 | 17.1 | -179.9 | -59 | -64.1 | -74.6 | 0 | 0 | 112 | I329 D375 D376 | I329-M378 HydrophobicContact CB-CE 3.76Å; I329-M378 HydrophobicContact CG1-CE 4.05Å; I329-M378 HydrophobicContact CG2-CB 4.14Å; I329-M378 HydrophobicContact CG2-CE 3.64Å; I329-M378 HydrophobicContact CG2-SD 4.03Å; D375-M378 HydrophobicContact CB-CG 4.25Å; D375-M378 WeakPolarHBondContact O-CB 3.35Å; D375-M378 PolarHBondContact O-N 2.85Å; D376-M378 PolarHBondContact O-N 2.94Å; D376-M378 VanDerWaalsContact O-N 3.09Å |
| 379 | K | 87.2 | Confident | 86.7 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | trans | -108.3 | 152.1 | -178.8 | -55.5 | -58.4 | 178.8 | 173.5 | 0 | 112.7 | Q368 L369 T371 N373 D376 | Q368-K379 PolarHBondContact O-NZ 2.91Å; L369-K379 WeakPolarHBondContact O-CA 3.34Å; T371-K379 WeakPolarHBondContact O-CD 3.32Å; T371-K379 WeakPolarHBondContact O-CE 3.49Å; T371-K379 PolarHBondContact O-NZ 3.19Å; T371-K379 VanDerWaalsContact O-NZ 3.13Å; T371-K379 PolarHBondContact OG1-NZ 3.46Å; N373-K379 VanDerWaalsContact O-CE 3.26Å; N373-K379 WeakPolarHBondContact O-CE 3.31Å; N373-K379 PolarHBondContact O-NZ 3.31Å; D376-K379 WeakPolarHBondContact O-CB 3.38Å; D376-K379 PolarHBondContact O-N 3.35Å; D376-K379 VanDerWaalsContact O-N 3.1Å | ||
| 380 | A | 90.7 | Very high | 87 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | -151.7 | 84.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.2 | I332 N336 L369 V383 | I332-A380 HydrophobicContact CG2-CB 4.05Å; N336-A380 HydrophobicContact CB-CB 3.89Å; N336-A380 VanDerWaalsContact OD1-CA 3.28Å; N336-A380 WeakPolarHBondContact OD1-CA 3.28Å; L369-A380 HydrophobicContact CD2-CB 4.04Å; L369-A380 PolarHBondContact O-N 3.46Å; A380-V383 HydrophobicContact CB-CB 4.11Å; A380-V383 HydrophobicContact CB-CG2 3.96Å | ||
| 381 | H | 88.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 32% | 0.319 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -24.7 | -170.9 | -66.2 | -75 | 0 | 0 | 0 | 114 | N336 R370 | N336-H381 PolarHBondContact OD1-N 3.32Å; R370-H381 PolarHBondContact NE-O 3.35Å; R370-H381 PolarHBondContact NH2-O 3.38Å |
| 382 | D | 89.2 | Confident | 88.7 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.1 | -178.8 | -51.7 | -71.8 | 0 | 0 | 0 | 112.7 | N336 V340 | N336-D382 PolarHBondContact ND2-OD2 2.92Å; N336-D382 WeakPolarHBondContact OD1-CB 3.39Å; N336-D382 PolarHBondContact OD1-N 3.08Å; N336-D382 PolarHBondContact OD1-OD2 3.07Å; V340-D382 HydrophobicContact CG2-CB 4.26Å; V340-D382 VanDerWaalsContact CG2-OD2 3.26Å; V340-D382 WeakPolarHBondContact CG2-OD2 3.42Å |
| 383 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.5 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 110 | I332 V335 N336 V352 V354 R370 A380 P385 | I332-V383 HydrophobicContact CG2-CB 4.42Å; I332-V383 HydrophobicContact CG2-CG1 4.08Å; I332-V383 HydrophobicContact CG2-CG2 4.14Å; V335-V383 HydrophobicContact CG1-CG2 4.37Å; N336-V383 HydrophobicContact CB-CG2 3.84Å; V352-V383 HydrophobicContact CG1-CG2 4.05Å; V354-V383 HydrophobicContact CB-CG1 3.8Å; V354-V383 HydrophobicContact CG2-CG1 3.51Å; R370-V383 VanDerWaalsContact CD-O 3.26Å; R370-V383 WeakPolarHBondContact CD-O 3.42Å; R370-V383 PolarHBondContact NE-O 2.84Å; A380-V383 HydrophobicContact CB-CB 4.11Å; A380-V383 HydrophobicContact CB-CG2 3.96Å; V383-P385 VanDerWaalsContact O-CD 3.3Å; V383-P385 WeakPolarHBondContact O-CD 3.35Å |
| 384 | F | 96.2 | Very high | 91.4 | Very high | 50 Ų | 50 | 35.6 Ų | 35.6 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 105.2 | 172 | -60.5 | -86.7 | 0 | 0 | 0 | 110 | A351 V352 A353 V354 T465 F467 L491 | A351-F384 HydrophobicContact CB-CE2 4.46Å; V352-F384 WeakPolarHBondContact O-CD2 3.28Å; V352-F384 PolarHBondContact O-N 2.88Å; A353-F384 CarbonylContact C-O 3.54Å; A353-F384 WeakPolarHBondContact CA-O 3.35Å; A353-F384 HydrophobicContact CB-CB 4.29Å; V354-F384 PolarHBondContact N-O 2.86Å; F384-T465 HydrophobicContact CD1-CG2 4.3Å; F384-F467 HydrophobicContact CB-CE1 4.4Å; F384-F467 HydrophobicContact CB-CE2 3.68Å; F384-F467 HydrophobicContact CB-CZ 3.58Å; F384-F467 HydrophobicContact CD1-CE1 4.44Å; F384-F467 AromaticContact CD1-CZ 3.85Å; F384-F467 HydrophobicContact CD1-CZ 3.85Å; F384-F467 HydrophobicContact CG-CE2 4.36Å; F384-F467 AromaticContact CG-CZ 3.92Å; F384-F467 HydrophobicContact CG-CZ 3.92Å; F384-L491 HydrophobicContact CD2-CD1 3.76Å; F384-L491 HydrophobicContact CE2-CD1 4.25Å |
| 385 | P | 98.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 145.4 | 178.3 | 27.4 | -31.9 | 0 | 0 | 0 | 110.4 | V354 F366 R370 V383 T465 P466 F467 | V354-P385 CarbonylContact O-C 3.48Å; F366-P385 HydrophobicContact CD1-CB 4.42Å; F366-P385 HydrophobicContact CE1-CB 3.62Å; F366-P385 HydrophobicContact CE2-CB 4.05Å; F366-P385 HydrophobicContact CZ-CB 3.4Å; F366-P385 VanDerWaalsContact CZ-CB 3.4Å; R370-P385 HydrophobicContact CG-CG 4.35Å; V383-P385 VanDerWaalsContact O-CD 3.3Å; V383-P385 WeakPolarHBondContact O-CD 3.35Å; P385-T465 WeakPolarHBondContact CG-OG1 3.32Å; P385-P466 CarbonylContact O-C 3.59Å; P385-P466 WeakPolarHBondContact O-CA 3.38Å; P385-F467 PolarHBondContact O-N 3.4Å |
| 386 | A | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | V354 Y355 L356 F366 F467 | V354-A386 PolarHBondContact O-N 2.95Å; Y355-A386 WeakPolarHBondContact CA-O 3.43Å; Y355-A386 HydrophobicContact CD1-CB 3.29Å; Y355-A386 HydrophobicContact CD2-CB 3.97Å; Y355-A386 HydrophobicContact CE1-CB 3.31Å; Y355-A386 HydrophobicContact CE2-CB 3.98Å; Y355-A386 HydrophobicContact CG-CB 3.62Å; L356-A386 PolarHBondContact N-O 3.28Å; F366-A386 WeakPolarHBondContact CE1-O 3.33Å; A386-F467 CarbonylContact C-O 3.59Å; A386-F467 WeakPolarHBondContact CA-O 3.43Å; A386-F467 HydrophobicContact CB-CB 3.71Å; A386-F467 HydrophobicContact CB-CD2 4.14Å; A386-F467 HydrophobicContact CB-CG 4.23Å |
| 387 | V | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133 | -176.1 | 178 | 0 | 0 | 0 | 0 | 111 | L356 A358 L363 F366 L367 Y389 P466 F467 F469 | L356-V387 CarbonylContact O-C 3.59Å; L356-V387 VanDerWaalsContact O-CA 3.26Å; L356-V387 WeakPolarHBondContact O-CA 3.44Å; A358-V387 HydrophobicContact CB-CG1 3.9Å; L363-V387 HydrophobicContact CD1-CG1 4.15Å; L363-V387 HydrophobicContact CD1-CG2 3.81Å; F366-V387 HydrophobicContact CD1-CG2 4.47Å; F366-V387 HydrophobicContact CE1-CG2 4.11Å; L367-V387 HydrophobicContact CD2-CG2 4.01Å; V387-Y389 HydrophobicContact CB-CD2 4.5Å; V387-Y389 HydrophobicContact CB-CE1 4.2Å; V387-Y389 HydrophobicContact CB-CE2 3.7Å; V387-Y389 WeakPolarHBondContact CB-OH 3.2Å; V387-Y389 HydrophobicContact CG1-CD1 3.98Å; V387-Y389 HydrophobicContact CG1-CD2 4.24Å; V387-Y389 HydrophobicContact CG1-CE1 3.46Å; V387-Y389 VanDerWaalsContact CG1-CE1 3.46Å; V387-Y389 HydrophobicContact CG1-CE2 3.75Å; V387-Y389 HydrophobicContact CG1-CG 4.35Å; V387-Y389 WeakPolarHBondContact O-CD2 3.44Å; V387-Y389 VanDerWaalsContact O-CE2 3.29Å; V387-Y389 WeakPolarHBondContact O-CE2 3.4Å; V387-P466 HydrophobicContact CB-CB 4.4Å; V387-P466 HydrophobicContact CG2-CB 3.69Å; V387-P466 HydrophobicContact CG2-CG 3.92Å; V387-F467 PolarHBondContact N-O 3.08Å; V387-F469 PolarHBondContact O-N 3.5Å |
| 388 | C | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.8 | 175 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | L356 D357 A358 F469 Y487 | L356-C388 PolarHBondContact O-N 2.97Å; D357-C388 WeakPolarHBondContact OD1-CB 3.45Å; A358-C388 WeakPolarHBondContact CB-O 3.22Å; A358-C388 PolarHBondContact N-O 3.35Å; C388-F469 CarbonylContact C-O 3.59Å; C388-F469 WeakPolarHBondContact CA-O 3.05Å; C388-F469 HydrophobicContact CB-CD1 3.93Å; C388-F469 VanDerWaalsContact SG-CD1 3.58Å; C388-Y487 PolarHBondContact SG-O 3.15Å |
| 389 | Y | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124 | -175.4 | -58.8 | -82.6 | 0 | 0 | 0 | 111.5 | A358 V387 F393 W394 V456 A468 F469 R471 | A358-Y389 HydrophobicContact CB-CD1 3.71Å; A358-Y389 HydrophobicContact CB-CE1 4.14Å; V387-Y389 HydrophobicContact CB-CD2 4.5Å; V387-Y389 HydrophobicContact CB-CE1 4.2Å; V387-Y389 HydrophobicContact CB-CE2 3.7Å; V387-Y389 WeakPolarHBondContact CB-OH 3.2Å; V387-Y389 HydrophobicContact CG1-CD1 3.98Å; V387-Y389 HydrophobicContact CG1-CD2 4.24Å; V387-Y389 HydrophobicContact CG1-CE1 3.46Å; V387-Y389 VanDerWaalsContact CG1-CE1 3.46Å; V387-Y389 HydrophobicContact CG1-CE2 3.75Å; V387-Y389 HydrophobicContact CG1-CG 4.35Å; V387-Y389 WeakPolarHBondContact O-CD2 3.44Å; V387-Y389 VanDerWaalsContact O-CE2 3.29Å; V387-Y389 WeakPolarHBondContact O-CE2 3.4Å; Y389-F393 AromaticContact CD1-CD1 3.5Å; Y389-F393 HydrophobicContact CD1-CD1 3.5Å; Y389-F393 VanDerWaalsContact CD1-CD1 3.5Å; Y389-F393 AromaticContact CD1-CE1 3.71Å; Y389-F393 HydrophobicContact CD1-CE1 3.71Å; Y389-F393 HydrophobicContact CD1-CG 4.21Å; Y389-F393 HydrophobicContact CE1-CD1 4.07Å; Y389-F393 AromaticContact CE1-CE1 3.77Å; Y389-F393 HydrophobicContact CE1-CE1 3.77Å; Y389-F393 HydrophobicContact CE1-CZ 4.4Å; Y389-F393 HydrophobicContact CG-CD1 4.45Å; Y389-W394 HydrophobicContact CD1-CH2 4.31Å; Y389-W394 AromaticContact CD1-CZ2 3.68Å; Y389-W394 HydrophobicContact CD1-CZ2 3.68Å; Y389-W394 AromaticContact CD2-CZ2 3.73Å; Y389-W394 HydrophobicContact CD2-CZ2 3.73Å; Y389-W394 HydrophobicContact CE1-CH2 4.12Å; Y389-W394 AromaticContact CE1-CZ2 3.83Å; Y389-W394 HydrophobicContact CE1-CZ2 3.83Å; Y389-W394 AromaticContact CE2-CZ2 3.89Å; Y389-W394 HydrophobicContact CE2-CZ2 3.89Å; Y389-W394 AromaticContact CG-CE2 3.79Å; Y389-W394 AromaticContact CG-CZ2 3.63Å; Y389-W394 HydrophobicContact CG-CZ2 3.63Å; Y389-W394 AromaticContact CG-NE1 3.69Å; Y389-W394 AromaticContact CZ-CZ2 3.93Å; Y389-V456 HydrophobicContact CE1-CG2 4.44Å; Y389-V456 WeakPolarHBondContact OH-CG1 3.41Å; Y389-V456 WeakPolarHBondContact OH-CG2 3.43Å; Y389-A468 HydrophobicContact CD2-CB 4.23Å; Y389-A468 HydrophobicContact CE2-CB 3.78Å; Y389-F469 PolarHBondContact N-O 2.93Å; Y389-R471 WeakPolarHBondContact O-CB 3.36Å; Y389-R471 PolarHBondContact O-N 3.05Å |
| 390 | P | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -75 | 154 | 164.5 | 32.5 | -33.2 | 0 | 0 | 0 | 110.5 | L392 F393 W405 W429 | P390-L392 PolarHBondContact O-N 2.99Å; P390-F393 HydrophobicContact CG-CB 4.21Å; P390-F393 WeakPolarHBondContact O-CB 3.33Å; P390-F393 PolarHBondContact O-N 3.46Å; P390-W405 HydrophobicContact CG-CH2 4.15Å; P390-W405 HydrophobicContact CG-CZ2 4.36Å; P390-W429 HydrophobicContact CB-CD2 4.16Å; P390-W429 HydrophobicContact CB-CE3 3.7Å; P390-W429 HydrophobicContact CB-CH2 3.89Å; P390-W429 HydrophobicContact CB-CZ2 4.3Å; P390-W429 HydrophobicContact CB-CZ3 3.55Å; P390-W429 HydrophobicContact CG-CE3 4.27Å; P390-W429 HydrophobicContact CG-CH2 3.51Å; P390-W429 HydrophobicContact CG-CZ2 4.03Å; P390-W429 HydrophobicContact CG-CZ3 3.63Å | ||
| 391 | D | 98.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -32.5 | -179.2 | -76.9 | -14.3 | 0 | 0 | 0 | 111.7 | F393 W394 R395 D472 R476 W776 | D391-F393 PolarHBondContact O-N 2.98Å; D391-W394 PolarHBondContact O-N 3Å; D391-R395 WeakPolarHBondContact O-CB 3.25Å; D391-R395 PolarHBondContact O-N 3.36Å; D391-D472 HydrophobicContact CB-CB 4.28Å; D391-D472 WeakPolarHBondContact CB-OD2 3.4Å; D391-D472 VanDerWaalsContact CG-CB 3.47Å; D391-D472 PolarHBondContact N-OD2 3.47Å; D391-D472 WeakPolarHBondContact OD2-CB 3.48Å; D391-R476 IonicContact OD2-CZ 3.85Å; D391-R476 IonicContact OD2-NH1 2.85Å; D391-R476 IonicContact OD2-NH2 3.85Å; D391-R476 PolarHBondContact OD2-NH2 3.28Å; D391-W776 HydrophobicContact CB-CZ2 4.23Å; D391-W776 PolarHBondContact OD1-NE1 3.48Å |
| 392 | L | 98.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.1 | -37.8 | 175.3 | -178.5 | 63.1 | 0 | 0 | 0 | 112.8 | P390 L396 W405 W429 E430 Y433 | P390-L392 PolarHBondContact O-N 2.99Å; L392-L396 HydrophobicContact CD1-CD1 4.22Å; L392-L396 HydrophobicContact CD1-CG 4.18Å; L392-L396 HydrophobicContact CG-CD1 4.18Å; L392-L396 WeakPolarHBondContact O-CB 3.28Å; L392-L396 VanDerWaalsContact O-CG 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 2.9Å; L392-W405 HydrophobicContact CD2-CH2 4.37Å; L392-W405 HydrophobicContact CD2-CZ3 4.02Å; L392-W405 HydrophobicContact CG-CH2 4.46Å; L392-W405 HydrophobicContact CG-CZ3 4.05Å; L392-W429 HydrophobicContact CB-CZ3 4.19Å; L392-W429 HydrophobicContact CD2-CZ3 4.04Å; L392-E430 HydrophobicContact CB-CG 3.97Å; L392-E430 HydrophobicContact CD2-CG 4.28Å; L392-Y433 HydrophobicContact CD2-CD1 3.86Å; L392-Y433 HydrophobicContact CD2-CE1 4.13Å |
| 393 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | -179.2 | 177.8 | -96.6 | 0 | 0 | 0 | 111.2 | Y389 P390 D391 L396 A397 W405 V449 I452 V453 | Y389-F393 AromaticContact CD1-CD1 3.5Å; Y389-F393 HydrophobicContact CD1-CD1 3.5Å; Y389-F393 VanDerWaalsContact CD1-CD1 3.5Å; Y389-F393 AromaticContact CD1-CE1 3.71Å; Y389-F393 HydrophobicContact CD1-CE1 3.71Å; Y389-F393 HydrophobicContact CD1-CG 4.21Å; Y389-F393 HydrophobicContact CE1-CD1 4.07Å; Y389-F393 AromaticContact CE1-CE1 3.77Å; Y389-F393 HydrophobicContact CE1-CE1 3.77Å; Y389-F393 HydrophobicContact CE1-CZ 4.4Å; Y389-F393 HydrophobicContact CG-CD1 4.45Å; P390-F393 HydrophobicContact CG-CB 4.21Å; P390-F393 WeakPolarHBondContact O-CB 3.33Å; P390-F393 PolarHBondContact O-N 3.46Å; D391-F393 PolarHBondContact O-N 2.98Å; F393-L396 PolarHBondContact O-N 2.85Å; F393-A397 WeakPolarHBondContact O-CB 3.45Å; F393-A397 PolarHBondContact O-N 2.89Å; F393-W405 HydrophobicContact CB-CH2 3.97Å; F393-W405 HydrophobicContact CB-CZ2 4.12Å; F393-W405 HydrophobicContact CD2-CD2 4.1Å; F393-W405 AromaticContact CD2-CE2 3.78Å; F393-W405 HydrophobicContact CD2-CH2 4.35Å; F393-W405 AromaticContact CD2-CZ2 3.92Å; F393-W405 HydrophobicContact CD2-CZ2 3.92Å; F393-W405 HydrophobicContact CG-CZ2 4.49Å; F393-V449 HydrophobicContact CD2-CG1 4.48Å; F393-V449 HydrophobicContact CE2-CG1 4.09Å; F393-V449 HydrophobicContact CZ-CG1 4.39Å; F393-I452 HydrophobicContact CE2-CB 3.99Å; F393-I452 HydrophobicContact CE2-CG2 3.67Å; F393-I452 HydrophobicContact CZ-CB 4.16Å; F393-I452 HydrophobicContact CZ-CG2 3.66Å; F393-V453 HydrophobicContact CE1-CG2 4.1Å; F393-V453 HydrophobicContact CZ-CG2 3.74Å |
| 394 | W | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 179.1 | -65.7 | 128.8 | 0 | 0 | 0 | 112.6 | Y389 D391 L396 A397 E398 N470 L769 Y772 L773 W776 | Y389-W394 HydrophobicContact CD1-CH2 4.31Å; Y389-W394 AromaticContact CD1-CZ2 3.68Å; Y389-W394 HydrophobicContact CD1-CZ2 3.68Å; Y389-W394 AromaticContact CD2-CZ2 3.73Å; Y389-W394 HydrophobicContact CD2-CZ2 3.73Å; Y389-W394 HydrophobicContact CE1-CH2 4.12Å; Y389-W394 AromaticContact CE1-CZ2 3.83Å; Y389-W394 HydrophobicContact CE1-CZ2 3.83Å; Y389-W394 AromaticContact CE2-CZ2 3.89Å; Y389-W394 HydrophobicContact CE2-CZ2 3.89Å; Y389-W394 AromaticContact CG-CE2 3.79Å; Y389-W394 AromaticContact CG-CZ2 3.63Å; Y389-W394 HydrophobicContact CG-CZ2 3.63Å; Y389-W394 AromaticContact CG-NE1 3.69Å; Y389-W394 AromaticContact CZ-CZ2 3.93Å; D391-W394 PolarHBondContact O-N 3Å; W394-L396 VanDerWaalsContact C-N 3.35Å; W394-L396 PolarHBondContact O-N 3.33Å; W394-A397 HydrophobicContact CE3-CB 4.23Å; W394-A397 PolarHBondContact O-N 2.65Å; W394-A397 VanDerWaalsContact O-N 3.15Å; W394-E398 PolarHBondContact O-N 2.83Å; W394-N470 PolarHBondContact NE1-OD1 3.37Å; W394-L769 HydrophobicContact CZ3-CD1 4.31Å; W394-Y772 AromaticContact CH2-CD1 3.62Å; W394-Y772 HydrophobicContact CH2-CD1 3.62Å; W394-Y772 HydrophobicContact CH2-CE1 4.48Å; W394-Y772 HydrophobicContact CH2-CG 4.22Å; W394-Y772 AromaticContact CZ2-CD1 3.88Å; W394-Y772 HydrophobicContact CZ2-CD1 3.88Å; W394-L773 HydrophobicContact CB-CD2 4.25Å; W394-L773 HydrophobicContact CE3-CD2 3.98Å; W394-W776 HydrophobicContact CB-CB 4.38Å; W394-W776 HydrophobicContact CB-CD2 3.4Å; W394-W776 HydrophobicContact CB-CE3 3.65Å; W394-W776 HydrophobicContact CB-CG 3.72Å; W394-W776 HydrophobicContact CB-CH2 4.39Å; W394-W776 HydrophobicContact CB-CZ2 4.18Å; W394-W776 HydrophobicContact CB-CZ3 4.14Å; W394-W776 AromaticContact CD1-CD1 3.51Å; W394-W776 AromaticContact CD1-CG 3.6Å; W394-W776 HydrophobicContact CG-CB 4.14Å; W394-W776 HydrophobicContact CG-CD2 4.06Å; W394-W776 AromaticContact CG-CG 3.82Å; W394-W776 HydrophobicContact CG-CG 3.82Å |
| 395 | R | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 173.3 | -166.1 | -173.1 | -51.2 | 138 | 10.5 | 111.2 | D391 E398 E399 E430 W776 | D391-R395 WeakPolarHBondContact O-CB 3.25Å; D391-R395 PolarHBondContact O-N 3.36Å; R395-E398 PolarHBondContact O-N 2.97Å; R395-E399 HydrophobicContact CG-CG 4.44Å; R395-E399 WeakPolarHBondContact CG-OE1 3.4Å; R395-E399 WeakPolarHBondContact O-CB 3.4Å; R395-E399 WeakPolarHBondContact O-CG 3.45Å; R395-E399 PolarHBondContact O-N 2.84Å; R395-E430 IonicContact CZ-OE1 3.81Å; R395-E430 IonicContact CZ-OE2 3.84Å; R395-E430 IonicContact NH1-OE1 2.8Å; R395-E430 PolarHBondContact NH1-OE1 3.44Å; R395-E430 IonicContact NH1-OE2 3.29Å; R395-E430 PolarHBondContact NH1-OE2 2.9Å; R395-E430 IonicContact NH2-OE1 2.99Å; R395-E430 PolarHBondContact NH2-OE1 3.28Å; R395-E430 IonicContact NH2-OE2 2.75Å; R395-W776 HydrophobicContact CB-CH2 3.96Å; R395-W776 HydrophobicContact CB-CZ2 4.31Å; R395-W776 HydrophobicContact CG-CH2 4.47Å |
| 396 | L | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 174.8 | -68.1 | 174.5 | 0 | 0 | 0 | 112.1 | L392 F393 W394 E398 N400 I401 A403 W405 V449 | L392-L396 HydrophobicContact CD1-CD1 4.22Å; L392-L396 HydrophobicContact CD1-CG 4.18Å; L392-L396 HydrophobicContact CG-CD1 4.18Å; L392-L396 WeakPolarHBondContact O-CB 3.28Å; L392-L396 VanDerWaalsContact O-CG 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 2.9Å; F393-L396 PolarHBondContact O-N 2.85Å; W394-L396 VanDerWaalsContact C-N 3.35Å; W394-L396 PolarHBondContact O-N 3.33Å; L396-E398 PolarHBondContact O-N 3.47Å; L396-N400 CarbonylContact O-C 3.57Å; L396-N400 WeakPolarHBondContact O-CA 3.38Å; L396-N400 PolarHBondContact O-N 3.17Å; L396-I401 WeakPolarHBondContact O-CA 3.5Å; L396-I401 PolarHBondContact O-N 3.46Å; L396-I401 VanDerWaalsContact O-N 3.11Å; L396-A403 HydrophobicContact CD1-CB 4.47Å; L396-A403 HydrophobicContact CD2-CB 4.05Å; L396-W405 HydrophobicContact CD1-CE3 3.9Å; L396-W405 HydrophobicContact CD1-CZ3 3.9Å; L396-V449 HydrophobicContact CB-CG2 3.89Å; L396-V449 HydrophobicContact CD1-CG2 4.12Å |
| 397 | A | 98.1 | Very high | 98.2 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F393 W394 V449 V453 L773 | F393-A397 WeakPolarHBondContact O-CB 3.45Å; F393-A397 PolarHBondContact O-N 2.89Å; W394-A397 HydrophobicContact CE3-CB 4.23Å; W394-A397 PolarHBondContact O-N 2.65Å; W394-A397 VanDerWaalsContact O-N 3.15Å; A397-V449 HydrophobicContact CB-CG1 3.79Å; A397-V453 HydrophobicContact CB-CG2 4.05Å; A397-L773 HydrophobicContact CB-CD2 4.33Å |
| 398 | E | 98 | Very high | 98.2 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 35% | 0.35 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -84.2 | -50.6 | 176 | -174.7 | 169 | -136.8 | 0 | 0 | 112.7 | W394 R395 L396 L773 R777 | W394-E398 PolarHBondContact O-N 2.83Å; R395-E398 PolarHBondContact O-N 2.97Å; L396-E398 PolarHBondContact O-N 3.47Å; E398-L773 HydrophobicContact CB-CD1 4.06Å; E398-L773 HydrophobicContact CB-CD2 4.08Å; E398-L773 HydrophobicContact CG-CD1 4.35Å; E398-R777 IonicContact OE1-CZ 2.74Å; E398-R777 IonicContact OE1-NE 3.8Å; E398-R777 IonicContact OE1-NH1 3.48Å; E398-R777 PolarHBondContact OE1-NH1 3.35Å |
| 399 | E | 97.9 | Very high | 98.2 | Very high | 143 Ų | 143 | 34.8 Ų | 34.8 | 67% | 0.668 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -88.5 | -31.5 | -169.2 | -63.2 | 174 | -174.9 | 0 | 0 | 113.4 | R395 | R395-E399 HydrophobicContact CG-CG 4.44Å; R395-E399 WeakPolarHBondContact CG-OE1 3.4Å; R395-E399 WeakPolarHBondContact O-CB 3.4Å; R395-E399 WeakPolarHBondContact O-CG 3.45Å; R395-E399 PolarHBondContact O-N 2.84Å |
| 400 | N | 97.5 | Very high | 98.1 | Very high | 90 Ų | 90 | 35 Ų | 35 | 48% | 0.481 | 18% | 0.179 | S | C | . | . | trans | -155.5 | 71.5 | -175.4 | -172.8 | 3.9 | 0 | 0 | 0 | 111.6 | L396 D402 A403 | L396-N400 CarbonylContact O-C 3.57Å; L396-N400 WeakPolarHBondContact O-CA 3.38Å; L396-N400 PolarHBondContact O-N 3.17Å; N400-D402 PolarHBondContact O-N 3.37Å; N400-D402 VanDerWaalsContact O-N 3.15Å; N400-A403 HydrophobicContact CB-CB 4.25Å; N400-A403 WeakPolarHBondContact O-CB 3.28Å; N400-A403 PolarHBondContact O-N 3.43Å | ||
| 401 | I | 97.1 | Very high | 98 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.7 | -171.5 | -158.6 | 173.4 | 0 | 0 | 0 | 113.6 | L396 A403 V449 K450 L769 | L396-I401 WeakPolarHBondContact O-CA 3.5Å; L396-I401 PolarHBondContact O-N 3.46Å; L396-I401 VanDerWaalsContact O-N 3.11Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-V449 WeakPolarHBondContact O-CB 3.31Å; I401-K450 HydrophobicContact CD1-CB 4.46Å; I401-K450 HydrophobicContact CD1-CG 4.44Å; I401-K450 HydrophobicContact CG1-CB 3.94Å; I401-K450 HydrophobicContact CG1-CG 4.42Å; I401-K450 WeakPolarHBondContact O-CB 3.44Å; I401-K450 PolarHBondContact O-N 3.21Å; I401-L769 HydrophobicContact CD1-CD2 3.88Å |
| 402 | D | 97.9 | Very high | 97.9 | Very high | 94 Ų | 94 | 36.8 Ų | 36.8 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.5 | 176.9 | -61.2 | -65.3 | 0 | 0 | 0 | 112.5 | N400 K450 | N400-D402 PolarHBondContact O-N 3.37Å; N400-D402 VanDerWaalsContact O-N 3.15Å; D402-K450 WeakPolarHBondContact OD1-CD 3.47Å; D402-K450 IonicContact OD1-NZ 2.6Å; D402-K450 PolarHBondContact OD1-NZ 3.16Å; D402-K450 VanDerWaalsContact OD1-NZ 3.08Å |
| 403 | A | 97.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -59.5 | 147.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L396 N400 I401 W405 T448 V449 | L396-A403 HydrophobicContact CD1-CB 4.47Å; L396-A403 HydrophobicContact CD2-CB 4.05Å; N400-A403 HydrophobicContact CB-CB 4.25Å; N400-A403 WeakPolarHBondContact O-CB 3.28Å; N400-A403 PolarHBondContact O-N 3.43Å; I401-A403 VanDerWaalsContact C-N 3.28Å; A403-W405 PolarHBondContact O-N 2.99Å; A403-T448 WeakPolarHBondContact O-CA 3.24Å; A403-V449 HydrophobicContact CB-CG2 4.45Å; A403-V449 PolarHBondContact O-N 3.34Å |
| 404 | P | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 39.8 Ų | 39.8 | 55% | 0.552 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.7 | 173.2 | 28.6 | -33.8 | 0 | 0 | 0 | 110.7 | V447 | P404-V447 CarbonylContact C-O 3.4Å; P404-V447 WeakPolarHBondContact CA-O 3.39Å |
| 405 | W | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.3 | 170.8 | -167.9 | -112.8 | 0 | 0 | 0 | 109.1 | A358 W359 P390 L392 F393 L396 A403 W429 Y433 V447 V449 | A358-W405 PolarHBondContact O-NE1 3.24Å; W359-W405 HydrophobicContact CB-CZ2 4.18Å; P390-W405 HydrophobicContact CG-CH2 4.15Å; P390-W405 HydrophobicContact CG-CZ2 4.36Å; L392-W405 HydrophobicContact CD2-CH2 4.37Å; L392-W405 HydrophobicContact CD2-CZ3 4.02Å; L392-W405 HydrophobicContact CG-CH2 4.46Å; L392-W405 HydrophobicContact CG-CZ3 4.05Å; F393-W405 HydrophobicContact CB-CH2 3.97Å; F393-W405 HydrophobicContact CB-CZ2 4.12Å; F393-W405 HydrophobicContact CD2-CD2 4.1Å; F393-W405 AromaticContact CD2-CE2 3.78Å; F393-W405 HydrophobicContact CD2-CH2 4.35Å; F393-W405 AromaticContact CD2-CZ2 3.92Å; F393-W405 HydrophobicContact CD2-CZ2 3.92Å; F393-W405 HydrophobicContact CG-CZ2 4.49Å; L396-W405 HydrophobicContact CD1-CE3 3.9Å; L396-W405 HydrophobicContact CD1-CZ3 3.9Å; A403-W405 PolarHBondContact O-N 2.99Å; W405-W429 HydrophobicContact CH2-CH2 4.15Å; W405-Y433 HydrophobicContact CH2-CE1 4.42Å; W405-Y433 HydrophobicContact CZ3-CE1 4.12Å; W405-V447 HydrophobicContact CB-CG2 4.24Å; W405-V447 PolarHBondContact N-O 3.25Å; W405-V447 WeakPolarHBondContact O-CG2 3.48Å; W405-V447 PolarHBondContact O-N 3.05Å; W405-V447 VanDerWaalsContact O-O 3.14Å; W405-V449 HydrophobicContact CB-CG2 3.87Å; W405-V449 HydrophobicContact CD2-CG2 4.48Å; W405-V449 HydrophobicContact CE3-CG2 4.24Å; W405-V449 HydrophobicContact CG-CG2 4.38Å |
| 406 | H | 98.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.4 | -174.7 | -59.9 | -84.5 | 0 | 0 | 0 | 110.3 | Y433 V437 K444 S446 | H406-Y433 WeakPolarHBondContact CA-OH 3.25Å; H406-Y433 WeakPolarHBondContact CB-OH 3.37Å; H406-Y433 PolarHBondContact N-OH 3.05Å; H406-Y433 WeakPolarHBondContact O-CE2 3.49Å; H406-Y433 PolarHBondContact O-OH 2.87Å; H406-V437 HydrophobicContact CB-CG2 3.78Å; H406-V437 VanDerWaalsContact CD2-CG1 3.41Å; H406-V437 WeakPolarHBondContact CD2-CG1 3.48Å; H406-K444 HydrophobicContact CB-CB 4.43Å; H406-K444 HydrophobicContact CB-CG 4.18Å; H406-S446 PolarHBondContact CE1-OG 2.89Å; H406-S446 PolarHBondContact ND1-OG 2.87Å |
| 407 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.8 | 174.5 | -46.6 | 169.5 | 0 | 0 | 0 | 110.4 | A358 W359 R361 L363 P364 R445 V447 I452 | A358-L407 WeakPolarHBondContact O-CD2 3.22Å; W359-L407 CarbonylContact O-C 3.56Å; W359-L407 WeakPolarHBondContact O-CA 3.4Å; R361-L407 HydrophobicContact CB-CB 4.47Å; L363-L407 HydrophobicContact CD2-CD2 4.36Å; P364-L407 HydrophobicContact CG-CD1 3.72Å; L407-R445 HydrophobicContact CB-CB 4.25Å; L407-R445 HydrophobicContact CD1-CG 4.42Å; L407-R445 PolarHBondContact N-O 3.31Å; L407-R445 PolarHBondContact O-N 2.72Å; L407-V447 HydrophobicContact CD1-CG2 4.37Å; L407-V447 HydrophobicContact CG-CG2 4.4Å; L407-I452 HydrophobicContact CD1-CD1 4.38Å |
| 408 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -134.9 | 164.6 | -171.1 | -67.7 | 178.4 | -71.7 | 0 | 0 | 112 | W359 R361 I413 L421 Y433 C436 V437 I442 K444 | W359-M408 PolarHBondContact O-N 3.14Å; R361-M408 WeakPolarHBondContact CB-O 3.45Å; R361-M408 PolarHBondContact N-O 2.64Å; M408-I413 HydrophobicContact CB-CD1 3.91Å; M408-I413 HydrophobicContact CB-CG1 4.46Å; M408-I413 HydrophobicContact CE-CD1 4.39Å; M408-I413 HydrophobicContact SD-CD1 4.48Å; M408-L421 HydrophobicContact CE-CD2 4.48Å; M408-Y433 HydrophobicContact CE-CD2 3.57Å; M408-Y433 HydrophobicContact CE-CE2 3.46Å; M408-Y433 VanDerWaalsContact CE-CE2 3.46Å; M408-C436 HydrophobicContact CE-CB 3.82Å; M408-C436 HydrophobicContact SD-CB 3.73Å; M408-V437 HydrophobicContact CE-CG2 3.92Å; M408-V437 HydrophobicContact SD-CG2 4.38Å; M408-I442 HydrophobicContact CB-CG2 4.37Å; M408-I442 HydrophobicContact CG-CG2 4.1Å; M408-I442 HydrophobicContact SD-CG2 3.83Å; M408-K444 HydrophobicContact CG-CG 3.77Å; M408-K444 HydrophobicContact SD-CG 4Å |
| 409 | C | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -92.9 | 126.9 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | A313 S316 H411 E412 I413 | A313-C409 HydrophobicContact CB-CB 3.92Å; A313-C409 PolarHBondContact N-SG 2.97Å; S316-C409 VanDerWaalsContact CB-SG 3.59Å; S316-C409 PolarHBondContact OG-SG 3.18Å; C409-H411 VanDerWaalsContact C-N 3.26Å; C409-H411 PolarHBondContact O-N 3.15Å; C409-E412 HydrophobicContact CB-CB 4.04Å; C409-E412 HydrophobicContact CB-CG 3.88Å; C409-E412 PolarHBondContact O-N 3.23Å; C409-I413 WeakPolarHBondContact O-CG1 3.4Å; C409-I413 PolarHBondContact O-N 3.15Å; C409-I413 VanDerWaalsContact O-N 3.12Å | ||
| 410 | P | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -35.9 | 179.2 | 24.7 | -34.5 | 0 | 0 | 0 | 112.3 | G309 V311 W359 H360 I413 L414 | G309-P410 WeakPolarHBondContact O-CG 3.45Å; V311-P410 WeakPolarHBondContact O-CG 3.5Å; W359-P410 HydrophobicContact CH2-CB 4.17Å; W359-P410 HydrophobicContact CZ3-CB 4.47Å; H360-P410 WeakPolarHBondContact NE2-CD 3.47Å; P410-I413 PolarHBondContact O-N 3.06Å; P410-L414 WeakPolarHBondContact O-CB 3.26Å; P410-L414 PolarHBondContact O-N 3.16Å |
| 411 | H | 96.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 15% | 0.148 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -40.3 | 178.2 | -177.2 | 81.2 | 0 | 0 | 0 | 113.3 | D282 R312 C409 L414 T415 | D282-H411 IonicContact OD2-CG 3.43Å; D282-H411 IonicContact OD2-ND1 2.71Å; D282-H411 PolarHBondContact OD2-ND1 2.94Å; D282-H411 VanDerWaalsContact OD2-ND1 3.11Å; R312-H411 HydrophobicContact CB-CB 3.5Å; R312-H411 VanDerWaalsContact CB-CB 3.5Å; R312-H411 PolarHBondContact NH2-CE1 2.96Å; R312-H411 PolarHBondContact NH2-ND1 3.34Å; C409-H411 VanDerWaalsContact C-N 3.26Å; C409-H411 PolarHBondContact O-N 3.15Å; H411-L414 PolarHBondContact O-N 3Å; H411-T415 WeakPolarHBondContact O-CB 3.09Å; H411-T415 PolarHBondContact O-N 3.06Å; H411-T415 PolarHBondContact O-OG1 3.28Å |
| 412 | E | 95.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 31 Ų | 31 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 176.4 | -70.6 | 169.5 | -154.4 | 0 | 0 | 110.6 | R361 C409 T415 V416 E443 | R361-E412 IonicContact CZ-OE1 2.9Å; R361-E412 IonicContact NH1-OE1 2.99Å; R361-E412 PolarHBondContact NH1-OE1 3.41Å; R361-E412 IonicContact NH1-OE2 3.54Å; R361-E412 PolarHBondContact NH1-OE2 3.39Å; R361-E412 IonicContact NH2-OE1 3.92Å; R361-E412 PolarHBondContact NH2-OE1 3.05Å; R361-E412 VanDerWaalsContact NH2-OE1 3.1Å; C409-E412 HydrophobicContact CB-CB 4.04Å; C409-E412 HydrophobicContact CB-CG 3.88Å; C409-E412 PolarHBondContact O-N 3.23Å; E412-T415 PolarHBondContact O-N 2.99Å; E412-V416 WeakPolarHBondContact O-CB 3.46Å; E412-V416 VanDerWaalsContact O-CG2 3.29Å; E412-V416 WeakPolarHBondContact O-CG2 3.36Å; E412-V416 PolarHBondContact O-N 3.43Å; E412-E443 PolarHBondContact OE2-N 3.45Å |
| 413 | I | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 174.7 | -65.6 | 166.3 | 0 | 0 | 0 | 110.1 | W359 M408 C409 P410 T415 V416 K417 Y419 L421 C436 I442 | W359-I413 HydrophobicContact CE3-CD1 4.41Å; W359-I413 HydrophobicContact CH2-CD1 4.36Å; W359-I413 HydrophobicContact CZ3-CD1 3.75Å; M408-I413 HydrophobicContact CB-CD1 3.91Å; M408-I413 HydrophobicContact CB-CG1 4.46Å; M408-I413 HydrophobicContact CE-CD1 4.39Å; M408-I413 HydrophobicContact SD-CD1 4.48Å; C409-I413 WeakPolarHBondContact O-CG1 3.4Å; C409-I413 PolarHBondContact O-N 3.15Å; C409-I413 VanDerWaalsContact O-N 3.12Å; P410-I413 PolarHBondContact O-N 3.06Å; I413-T415 VanDerWaalsContact C-N 3.29Å; I413-T415 PolarHBondContact O-N 3.03Å; I413-V416 PolarHBondContact O-N 3.06Å; I413-K417 HydrophobicContact CG2-CB 4.43Å; I413-K417 HydrophobicContact CG2-CG 4.36Å; I413-K417 WeakPolarHBondContact O-CA 3.48Å; I413-K417 VanDerWaalsContact O-CB 3.28Å; I413-K417 WeakPolarHBondContact O-CB 3.46Å; I413-K417 PolarHBondContact O-N 3.4Å; I413-Y419 HydrophobicContact CG2-CD2 4.44Å; I413-Y419 HydrophobicContact CG2-CE2 4.17Å; I413-L421 HydrophobicContact CD1-CB 4.08Å; I413-L421 HydrophobicContact CD1-CD2 3.96Å; I413-L421 HydrophobicContact CG2-CB 4.12Å; I413-C436 HydrophobicContact CG1-CB 4.5Å; I413-I442 HydrophobicContact CG1-CD1 4.2Å; I413-I442 HydrophobicContact CG1-CG2 4.23Å |
| 414 | L | 96.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 32.3 Ų | 32.3 | 44% | 0.44 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 179.3 | -178.3 | 62 | 0 | 0 | 0 | 111.8 | P410 H411 G418 Y419 A420 | P410-L414 WeakPolarHBondContact O-CB 3.26Å; P410-L414 PolarHBondContact O-N 3.16Å; H411-L414 PolarHBondContact O-N 3Å; L414-G418 WeakPolarHBondContact O-CA 3.43Å; L414-G418 PolarHBondContact O-N 3.33Å; L414-Y419 WeakPolarHBondContact CA-O 3.44Å; L414-A420 HydrophobicContact CD1-CB 4.4Å |
| 415 | T | 94.7 | Very high | 97.4 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 60% | 0.595 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -67 | -41.5 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | H411 E412 I413 | H411-T415 WeakPolarHBondContact O-CB 3.09Å; H411-T415 PolarHBondContact O-N 3.06Å; H411-T415 PolarHBondContact O-OG1 3.28Å; E412-T415 PolarHBondContact O-N 2.99Å; I413-T415 VanDerWaalsContact C-N 3.29Å; I413-T415 PolarHBondContact O-N 3.03Å |
| 416 | V | 96.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -84.6 | -39.1 | -174.2 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | E412 I413 R441 I442 | E412-V416 WeakPolarHBondContact O-CB 3.46Å; E412-V416 VanDerWaalsContact O-CG2 3.29Å; E412-V416 WeakPolarHBondContact O-CG2 3.36Å; E412-V416 PolarHBondContact O-N 3.43Å; I413-V416 PolarHBondContact O-N 3.06Å; V416-R441 HydrophobicContact CG1-CB 3.93Å; V416-R441 VanDerWaalsContact CG1-CZ 3.48Å; V416-R441 HydrophobicContact CG2-CB 4.23Å; V416-I442 HydrophobicContact CB-CD1 4.38Å; V416-I442 HydrophobicContact CB-CG1 4.02Å; V416-I442 HydrophobicContact CG1-CD1 4.25Å; V416-I442 HydrophobicContact CG1-CG1 3.96Å; V416-I442 HydrophobicContact CG2-CG1 4.17Å |
| 417 | K | 97.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -103.6 | -16.7 | -172.1 | -61.6 | -67.1 | -164.4 | 174.8 | 0 | 113.7 | I413 Y419 D435 D439 I442 | I413-K417 HydrophobicContact CG2-CB 4.43Å; I413-K417 HydrophobicContact CG2-CG 4.36Å; I413-K417 WeakPolarHBondContact O-CA 3.48Å; I413-K417 VanDerWaalsContact O-CB 3.28Å; I413-K417 WeakPolarHBondContact O-CB 3.46Å; I413-K417 PolarHBondContact O-N 3.4Å; K417-Y419 HydrophobicContact CB-CD1 3.73Å; K417-Y419 HydrophobicContact CB-CD2 4.47Å; K417-Y419 HydrophobicContact CB-CE1 3.45Å; K417-Y419 VanDerWaalsContact CB-CE1 3.45Å; K417-Y419 HydrophobicContact CB-CE2 4.16Å; K417-Y419 HydrophobicContact CB-CG 4.26Å; K417-Y419 HydrophobicContact CD-CE1 4.39Å; K417-Y419 HydrophobicContact CG-CE1 4.13Å; K417-Y419 WeakPolarHBondContact O-CD1 3.43Å; K417-Y419 PolarHBondContact O-N 3.27Å; K417-D435 VanDerWaalsContact CE-OD2 3.25Å; K417-D435 WeakPolarHBondContact CE-OD2 3.41Å; K417-D435 PolarHBondContact NZ-O 2.82Å; K417-D435 IonicContact NZ-OD1 3.39Å; K417-D435 PolarHBondContact NZ-OD1 3.37Å; K417-D435 IonicContact NZ-OD2 3.9Å; K417-D435 PolarHBondContact NZ-OD2 3.32Å; K417-D439 WeakPolarHBondContact CE-OD2 3.24Å; K417-D439 IonicContact NZ-OD2 2.76Å; K417-D439 PolarHBondContact NZ-OD2 3.45Å; K417-I442 HydrophobicContact CD-CD1 4.48Å; K417-I442 HydrophobicContact CG-CD1 3.97Å |
| 418 | G | 95.9 | Very high | 97.2 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 74.5 | 10.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L414 | L414-G418 WeakPolarHBondContact O-CA 3.43Å; L414-G418 PolarHBondContact O-N 3.33Å |
| 419 | Y | 97.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -135.8 | 152.3 | 175.2 | 60.9 | -104.8 | 0 | 0 | 0 | 110.4 | I413 L414 K417 Y424 R432 D435 | I413-Y419 HydrophobicContact CG2-CD2 4.44Å; I413-Y419 HydrophobicContact CG2-CE2 4.17Å; L414-Y419 WeakPolarHBondContact CA-O 3.44Å; K417-Y419 HydrophobicContact CB-CD1 3.73Å; K417-Y419 HydrophobicContact CB-CD2 4.47Å; K417-Y419 HydrophobicContact CB-CE1 3.45Å; K417-Y419 VanDerWaalsContact CB-CE1 3.45Å; K417-Y419 HydrophobicContact CB-CE2 4.16Å; K417-Y419 HydrophobicContact CB-CG 4.26Å; K417-Y419 HydrophobicContact CD-CE1 4.39Å; K417-Y419 HydrophobicContact CG-CE1 4.13Å; K417-Y419 WeakPolarHBondContact O-CD1 3.43Å; K417-Y419 PolarHBondContact O-N 3.27Å; Y419-Y424 HydrophobicContact CD2-CE2 4.05Å; Y419-Y424 HydrophobicContact CG-CE2 4.35Å; Y419-R432 VanDerWaalsContact CE1-NH1 3.31Å; Y419-R432 HydrophobicContact CE2-CB 3.85Å; Y419-R432 HydrophobicContact CE2-CG 3.97Å; Y419-D435 PolarHBondContact OH-OD2 2.87Å |
| 420 | A | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | trans | -91.3 | 116.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L414 E422 D423 Y424 | L414-A420 HydrophobicContact CD1-CB 4.4Å; A420-E422 WeakPolarHBondContact CB-OE1 3.44Å; A420-E422 PolarHBondContact O-N 2.95Å; A420-D423 WeakPolarHBondContact O-CB 3.19Å; A420-D423 PolarHBondContact O-N 2.93Å; A420-Y424 WeakPolarHBondContact O-CD2 3.4Å; A420-Y424 VanDerWaalsContact O-CE2 3.3Å; A420-Y424 WeakPolarHBondContact O-CE2 3.4Å | ||
| 421 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.8 | -35.1 | -174.7 | 176.2 | 62.1 | 0 | 0 | 0 | 111.2 | W359 M408 I413 D423 Y424 W429 R432 Y433 | W359-L421 HydrophobicContact CD2-CD2 4.03Å; W359-L421 HydrophobicContact CE3-CD2 4.04Å; W359-L421 HydrophobicContact CH2-CB 3.98Å; W359-L421 HydrophobicContact CH2-CD2 4.16Å; W359-L421 HydrophobicContact CH2-CG 4.31Å; W359-L421 HydrophobicContact CZ2-CB 4.11Å; W359-L421 HydrophobicContact CZ2-CD2 4.1Å; W359-L421 HydrophobicContact CZ2-CG 4.07Å; W359-L421 HydrophobicContact CZ3-CD2 4.14Å; M408-L421 HydrophobicContact CE-CD2 4.48Å; I413-L421 HydrophobicContact CD1-CB 4.08Å; I413-L421 HydrophobicContact CD1-CD2 3.96Å; I413-L421 HydrophobicContact CG2-CB 4.12Å; L421-D423 PolarHBondContact O-N 2.88Å; L421-D423 VanDerWaalsContact O-N 3.15Å; L421-Y424 PolarHBondContact O-N 2.74Å; L421-W429 HydrophobicContact CD1-CG 4.35Å; L421-W429 HydrophobicContact CD2-CZ2 4.22Å; L421-R432 HydrophobicContact CD1-CB 3.65Å; L421-Y433 HydrophobicContact CD2-CD2 4.02Å |
| 422 | E | 97.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -65.3 | -10.7 | 177.3 | 71.8 | -79 | -171 | 0 | 0 | 114.5 | Y307 K310 W359 A420 Y424 R471 M485 Y487 | Y307-E422 HydrophobicContact CE1-CG 4.27Å; Y307-E422 WeakPolarHBondContact OH-CB 3.29Å; Y307-E422 WeakPolarHBondContact OH-CG 3.34Å; K310-E422 HydrophobicContact CG-CG 4.18Å; K310-E422 WeakPolarHBondContact CG-OE1 3.4Å; K310-E422 IonicContact NZ-OE1 2.77Å; K310-E422 PolarHBondContact NZ-OE1 3.48Å; W359-E422 HydrophobicContact CH2-CB 4.4Å; W359-E422 HydrophobicContact CZ2-CB 3.81Å; A420-E422 WeakPolarHBondContact CB-OE1 3.44Å; A420-E422 PolarHBondContact O-N 2.95Å; E422-Y424 PolarHBondContact O-N 3.34Å; E422-R471 PolarHBondContact O-NH1 3.02Å; E422-M485 WeakPolarHBondContact O-CE 3.4Å; E422-Y487 HydrophobicContact CG-CD1 4.37Å; E422-Y487 HydrophobicContact CG-CE1 4.11Å; E422-Y487 WeakPolarHBondContact O-CE1 3.29Å |
| 423 | D | 97.7 | Very high | 97.5 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -82.8 | 0.4 | 178.7 | -65.6 | -5.2 | 0 | 0 | 0 | 112.5 | K310 A420 L421 Y487 | K310-D423 IonicContact NZ-OD1 3.77Å; K310-D423 PolarHBondContact NZ-OD1 2.91Å; K310-D423 IonicContact NZ-OD2 3.47Å; A420-D423 WeakPolarHBondContact O-CB 3.19Å; A420-D423 PolarHBondContact O-N 2.93Å; L421-D423 PolarHBondContact O-N 2.88Å; L421-D423 VanDerWaalsContact O-N 3.15Å; D423-Y487 VanDerWaalsContact OD1-CE1 3.3Å; D423-Y487 WeakPolarHBondContact OD1-CE1 3.48Å; D423-Y487 PolarHBondContact OD1-OH 3.4Å |
| 424 | Y | 98.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | trans | -116.5 | 162.6 | -177.8 | -56 | -85.6 | 0 | 0 | 0 | 111.8 | Y419 A420 L421 E422 E428 W429 R432 R471 | Y419-Y424 HydrophobicContact CD2-CE2 4.05Å; Y419-Y424 HydrophobicContact CG-CE2 4.35Å; A420-Y424 WeakPolarHBondContact O-CD2 3.4Å; A420-Y424 VanDerWaalsContact O-CE2 3.3Å; A420-Y424 WeakPolarHBondContact O-CE2 3.4Å; L421-Y424 PolarHBondContact O-N 2.74Å; E422-Y424 PolarHBondContact O-N 3.34Å; Y424-E428 HydrophobicContact CD1-CG 3.75Å; Y424-E428 HydrophobicContact CE1-CG 4.29Å; Y424-E428 HydrophobicContact CG-CG 4.48Å; Y424-W429 VanDerWaalsContact O-CD1 3.23Å; Y424-R432 VanDerWaalsContact CZ-CZ 3.41Å; Y424-R432 PolarHBondContact OH-NH1 2.77Å; Y424-R471 PolarHBondContact O-NH1 2.79Å; Y424-R471 VanDerWaalsContact O-NH1 3.07Å | ||
| 425 | W | 97.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | trans | -147.8 | 165.4 | 172.7 | 66 | -85.9 | 0 | 0 | 0 | 110.5 | W429 R471 D472 N475 R476 | W425-W429 PolarHBondContact O-N 2.8Å; W425-R471 HydrophobicContact CB-CG 4.32Å; W425-D472 WeakPolarHBondContact CA-OD1 3.3Å; W425-D472 WeakPolarHBondContact CB-OD1 3.49Å; W425-D472 HydrophobicContact CE3-CB 4.33Å; W425-N475 HydrophobicContact CB-CB 4.23Å; W425-N475 HydrophobicContact CD2-CB 3.59Å; W425-N475 HydrophobicContact CE3-CB 4.24Å; W425-N475 HydrophobicContact CG-CB 3.56Å; W425-N475 HydrophobicContact CZ2-CB 4.43Å; W425-R476 HydrophobicContact CH2-CB 3.77Å; W425-R476 HydrophobicContact CH2-CG 4.21Å; W425-R476 HydrophobicContact CZ3-CB 3.6Å; W425-R476 HydrophobicContact CZ3-CG 4.21Å | ||
| 426 | G | 97.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | 61.5 | -144.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E428 W429 E430 D472 | G426-E428 VanDerWaalsContact C-N 3.31Å; G426-E428 PolarHBondContact O-N 2.94Å; G426-W429 WeakPolarHBondContact O-CB 3.36Å; G426-W429 PolarHBondContact O-N 2.73Å; G426-W429 VanDerWaalsContact O-N 3.08Å; G426-E430 PolarHBondContact O-N 2.98Å; G426-D472 VanDerWaalsContact N-CG 3.33Å; G426-D472 PolarHBondContact N-OD1 2.71Å |
| 427 | T | 97.7 | Very high | 97.9 | Very high | 123 Ų | 123 | 46.6 Ų | 46.6 | 76% | 0.755 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.9 | -34.2 | -172.3 | 53 | 0 | 0 | 0 | 0 | 113.9 | E430 K431 | T427-E430 PolarHBondContact O-N 2.98Å; T427-K431 WeakPolarHBondContact O-CB 3.37Å; T427-K431 PolarHBondContact O-N 3.27Å |
| 428 | E | 98 | Very high | 97.8 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.8 | -36 | 177.2 | -177.4 | 62 | -170.5 | 0 | 0 | 111.3 | Y424 G426 R432 | Y424-E428 HydrophobicContact CD1-CG 3.75Å; Y424-E428 HydrophobicContact CE1-CG 4.29Å; Y424-E428 HydrophobicContact CG-CG 4.48Å; G426-E428 VanDerWaalsContact C-N 3.31Å; G426-E428 PolarHBondContact O-N 2.94Å; E428-R432 WeakPolarHBondContact O-CG 3.45Å; E428-R432 PolarHBondContact O-N 3.4Å; E428-R432 VanDerWaalsContact O-N 3.13Å; E428-R432 IonicContact OE1-CZ 2.9Å; E428-R432 IonicContact OE1-NE 3.79Å; E428-R432 PolarHBondContact OE1-NE 3.15Å; E428-R432 IonicContact OE1-NH2 2.81Å; E428-R432 PolarHBondContact OE1-NH2 3.43Å |
| 429 | W | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 171.5 | -177.5 | 92.1 | 0 | 0 | 0 | 111.4 | W359 P390 L392 W405 L421 Y424 W425 G426 K431 R432 Y433 | W359-W429 HydrophobicContact CB-CZ2 4.4Å; W359-W429 AromaticContact CD1-CZ2 3.3Å; W359-W429 HydrophobicContact CD2-CZ2 4.48Å; W359-W429 AromaticContact CG-CZ2 3.83Å; W359-W429 HydrophobicContact CG-CZ2 3.83Å; W359-W429 AromaticContact NE1-CE2 3.97Å; W359-W429 AromaticContact NE1-CZ2 3.65Å; W359-W429 AromaticContact NE1-NE1 3.73Å; P390-W429 HydrophobicContact CB-CD2 4.16Å; P390-W429 HydrophobicContact CB-CE3 3.7Å; P390-W429 HydrophobicContact CB-CH2 3.89Å; P390-W429 HydrophobicContact CB-CZ2 4.3Å; P390-W429 HydrophobicContact CB-CZ3 3.55Å; P390-W429 HydrophobicContact CG-CE3 4.27Å; P390-W429 HydrophobicContact CG-CH2 3.51Å; P390-W429 HydrophobicContact CG-CZ2 4.03Å; P390-W429 HydrophobicContact CG-CZ3 3.63Å; L392-W429 HydrophobicContact CB-CZ3 4.19Å; L392-W429 HydrophobicContact CD2-CZ3 4.04Å; W405-W429 HydrophobicContact CH2-CH2 4.15Å; L421-W429 HydrophobicContact CD1-CG 4.35Å; L421-W429 HydrophobicContact CD2-CZ2 4.22Å; Y424-W429 VanDerWaalsContact O-CD1 3.23Å; W425-W429 PolarHBondContact O-N 2.8Å; G426-W429 WeakPolarHBondContact O-CB 3.36Å; G426-W429 PolarHBondContact O-N 2.73Å; G426-W429 VanDerWaalsContact O-N 3.08Å; W429-K431 VanDerWaalsContact C-N 3.34Å; W429-K431 PolarHBondContact O-N 3.36Å; W429-R432 PolarHBondContact O-N 3.4Å; W429-Y433 HydrophobicContact CH2-CD1 4.17Å; W429-Y433 AromaticContact CH2-CD2 3.62Å; W429-Y433 HydrophobicContact CH2-CD2 3.62Å; W429-Y433 HydrophobicContact CH2-CE2 4.24Å; W429-Y433 AromaticContact CH2-CG 3.57Å; W429-Y433 HydrophobicContact CH2-CG 3.57Å; W429-Y433 AromaticContact CZ2-CD2 3.83Å; W429-Y433 HydrophobicContact CZ2-CD2 3.83Å; W429-Y433 HydrophobicContact CZ2-CG 4.07Å; W429-Y433 HydrophobicContact CZ3-CD1 4.37Å; W429-Y433 HydrophobicContact CZ3-CD2 4.5Å; W429-Y433 HydrophobicContact CZ3-CG 4.01Å; W429-Y433 WeakPolarHBondContact O-CB 3.45Å; W429-Y433 PolarHBondContact O-N 3.4Å |
| 430 | E | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.7 | -69.5 | -173.5 | -150.2 | 0 | 0 | 111.6 | L392 R395 G426 T427 R432 Y433 L434 | L392-E430 HydrophobicContact CB-CG 3.97Å; L392-E430 HydrophobicContact CD2-CG 4.28Å; R395-E430 IonicContact CZ-OE1 3.81Å; R395-E430 IonicContact CZ-OE2 3.84Å; R395-E430 IonicContact NH1-OE1 2.8Å; R395-E430 PolarHBondContact NH1-OE1 3.44Å; R395-E430 IonicContact NH1-OE2 3.29Å; R395-E430 PolarHBondContact NH1-OE2 2.9Å; R395-E430 IonicContact NH2-OE1 2.99Å; R395-E430 PolarHBondContact NH2-OE1 3.28Å; R395-E430 IonicContact NH2-OE2 2.75Å; G426-E430 PolarHBondContact O-N 2.98Å; T427-E430 PolarHBondContact O-N 2.98Å; E430-R432 VanDerWaalsContact C-N 3.35Å; E430-R432 PolarHBondContact O-N 3.11Å; E430-Y433 PolarHBondContact O-N 3Å; E430-L434 WeakPolarHBondContact O-CG 3.16Å; E430-L434 PolarHBondContact O-N 3.36Å |
| 431 | K | 98.5 | Very high | 97.7 | Very high | 139 Ų | 139 | 60 Ų | 60 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.5 | -46.6 | 176.2 | -178.8 | -171.4 | 174.6 | -171 | 0 | 111.8 | T427 W429 D435 | T427-K431 WeakPolarHBondContact O-CB 3.37Å; T427-K431 PolarHBondContact O-N 3.27Å; W429-K431 VanDerWaalsContact C-N 3.34Å; W429-K431 PolarHBondContact O-N 3.36Å; K431-D435 WeakPolarHBondContact O-CB 3.28Å; K431-D435 PolarHBondContact O-N 3.13Å |
| 432 | R | 98.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 179.9 | -72.8 | 175.4 | -175.1 | -93.4 | -4.1 | 112.3 | Y419 L421 Y424 E428 W429 E430 L434 D435 C436 | Y419-R432 VanDerWaalsContact CE1-NH1 3.31Å; Y419-R432 HydrophobicContact CE2-CB 3.85Å; Y419-R432 HydrophobicContact CE2-CG 3.97Å; L421-R432 HydrophobicContact CD1-CB 3.65Å; Y424-R432 VanDerWaalsContact CZ-CZ 3.41Å; Y424-R432 PolarHBondContact OH-NH1 2.77Å; E428-R432 WeakPolarHBondContact O-CG 3.45Å; E428-R432 PolarHBondContact O-N 3.4Å; E428-R432 VanDerWaalsContact O-N 3.13Å; E428-R432 IonicContact OE1-CZ 2.9Å; E428-R432 IonicContact OE1-NE 3.79Å; E428-R432 PolarHBondContact OE1-NE 3.15Å; E428-R432 IonicContact OE1-NH2 2.81Å; E428-R432 PolarHBondContact OE1-NH2 3.43Å; W429-R432 PolarHBondContact O-N 3.4Å; E430-R432 VanDerWaalsContact C-N 3.35Å; E430-R432 PolarHBondContact O-N 3.11Å; R432-L434 VanDerWaalsContact C-N 3.35Å; R432-L434 PolarHBondContact O-N 3.25Å; R432-D435 PolarHBondContact O-N 3.45Å; R432-C436 PolarHBondContact O-N 2.84Å; R432-C436 PolarHBondContact O-SG 2.86Å |
| 433 | Y | 98.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -50 | 173.9 | 175.2 | -103.2 | 0 | 0 | 0 | 110.5 | W359 L392 W405 H406 M408 L421 W429 E430 D435 C436 V437 | W359-Y433 HydrophobicContact CB-CE2 4.07Å; L392-Y433 HydrophobicContact CD2-CD1 3.86Å; L392-Y433 HydrophobicContact CD2-CE1 4.13Å; W405-Y433 HydrophobicContact CH2-CE1 4.42Å; W405-Y433 HydrophobicContact CZ3-CE1 4.12Å; H406-Y433 WeakPolarHBondContact CA-OH 3.25Å; H406-Y433 WeakPolarHBondContact CB-OH 3.37Å; H406-Y433 PolarHBondContact N-OH 3.05Å; H406-Y433 WeakPolarHBondContact O-CE2 3.49Å; H406-Y433 PolarHBondContact O-OH 2.87Å; M408-Y433 HydrophobicContact CE-CD2 3.57Å; M408-Y433 HydrophobicContact CE-CE2 3.46Å; M408-Y433 VanDerWaalsContact CE-CE2 3.46Å; L421-Y433 HydrophobicContact CD2-CD2 4.02Å; W429-Y433 HydrophobicContact CH2-CD1 4.17Å; W429-Y433 AromaticContact CH2-CD2 3.62Å; W429-Y433 HydrophobicContact CH2-CD2 3.62Å; W429-Y433 HydrophobicContact CH2-CE2 4.24Å; W429-Y433 AromaticContact CH2-CG 3.57Å; W429-Y433 HydrophobicContact CH2-CG 3.57Å; W429-Y433 AromaticContact CZ2-CD2 3.83Å; W429-Y433 HydrophobicContact CZ2-CD2 3.83Å; W429-Y433 HydrophobicContact CZ2-CG 4.07Å; W429-Y433 HydrophobicContact CZ3-CD1 4.37Å; W429-Y433 HydrophobicContact CZ3-CD2 4.5Å; W429-Y433 HydrophobicContact CZ3-CG 4.01Å; W429-Y433 WeakPolarHBondContact O-CB 3.45Å; W429-Y433 PolarHBondContact O-N 3.4Å; E430-Y433 PolarHBondContact O-N 3Å; Y433-D435 PolarHBondContact O-N 3.48Å; Y433-C436 WeakPolarHBondContact O-CB 3.31Å; Y433-C436 PolarHBondContact O-N 2.86Å; Y433-V437 HydrophobicContact CD1-CG2 4.18Å; Y433-V437 HydrophobicContact CD2-CG2 4.42Å; Y433-V437 HydrophobicContact CE1-CG2 3.78Å; Y433-V437 HydrophobicContact CE2-CG2 4.06Å; Y433-V437 HydrophobicContact CG-CG2 4.48Å; Y433-V437 VanDerWaalsContact O-CG2 3.3Å; Y433-V437 WeakPolarHBondContact O-CG2 3.48Å; Y433-V437 PolarHBondContact O-N 3.01Å |
| 434 | L | 98.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 65.1 Ų | 65.1 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 177.6 | -66.8 | 173.7 | 0 | 0 | 0 | 112.7 | E430 R432 C436 V437 N438 | E430-L434 WeakPolarHBondContact O-CG 3.16Å; E430-L434 PolarHBondContact O-N 3.36Å; R432-L434 VanDerWaalsContact C-N 3.35Å; R432-L434 PolarHBondContact O-N 3.25Å; L434-C436 VanDerWaalsContact C-N 3.33Å; L434-V437 PolarHBondContact O-N 3.26Å; L434-N438 WeakPolarHBondContact O-CB 3.46Å; L434-N438 PolarHBondContact O-N 2.6Å; L434-N438 PolarHBondContact O-ND2 2.8Å |
| 435 | D | 98.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 172.1 | 174.9 | 47 | 0 | 0 | 0 | 112.3 | K417 Y419 K431 R432 Y433 D439 | K417-D435 VanDerWaalsContact CE-OD2 3.25Å; K417-D435 WeakPolarHBondContact CE-OD2 3.41Å; K417-D435 PolarHBondContact NZ-O 2.82Å; K417-D435 IonicContact NZ-OD1 3.39Å; K417-D435 PolarHBondContact NZ-OD1 3.37Å; K417-D435 IonicContact NZ-OD2 3.9Å; K417-D435 PolarHBondContact NZ-OD2 3.32Å; Y419-D435 PolarHBondContact OH-OD2 2.87Å; K431-D435 WeakPolarHBondContact O-CB 3.28Å; K431-D435 PolarHBondContact O-N 3.13Å; R432-D435 PolarHBondContact O-N 3.45Å; Y433-D435 PolarHBondContact O-N 3.48Å; D435-D439 PolarHBondContact O-N 2.68Å |
| 436 | C | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 172.7 | -67.7 | 0 | 0 | 0 | 0 | 112 | M408 I413 R432 Y433 L434 N438 D439 I442 | M408-C436 HydrophobicContact CE-CB 3.82Å; M408-C436 HydrophobicContact SD-CB 3.73Å; I413-C436 HydrophobicContact CG1-CB 4.5Å; R432-C436 PolarHBondContact O-N 2.84Å; R432-C436 PolarHBondContact O-SG 2.86Å; Y433-C436 WeakPolarHBondContact O-CB 3.31Å; Y433-C436 PolarHBondContact O-N 2.86Å; L434-C436 VanDerWaalsContact C-N 3.33Å; C436-N438 VanDerWaalsContact C-N 3.26Å; C436-N438 PolarHBondContact O-N 3.39Å; C436-D439 PolarHBondContact O-N 2.85Å; C436-D439 VanDerWaalsContact O-N 3.13Å; C436-I442 HydrophobicContact CB-CD1 3.87Å |
| 437 | V | 97.8 | Very high | 97 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 178.7 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | H406 M408 Y433 L434 K444 | H406-V437 HydrophobicContact CB-CG2 3.78Å; H406-V437 VanDerWaalsContact CD2-CG1 3.41Å; H406-V437 WeakPolarHBondContact CD2-CG1 3.48Å; M408-V437 HydrophobicContact CE-CG2 3.92Å; M408-V437 HydrophobicContact SD-CG2 4.38Å; Y433-V437 HydrophobicContact CD1-CG2 4.18Å; Y433-V437 HydrophobicContact CD2-CG2 4.42Å; Y433-V437 HydrophobicContact CE1-CG2 3.78Å; Y433-V437 HydrophobicContact CE2-CG2 4.06Å; Y433-V437 HydrophobicContact CG-CG2 4.48Å; Y433-V437 VanDerWaalsContact O-CG2 3.3Å; Y433-V437 WeakPolarHBondContact O-CG2 3.48Å; Y433-V437 PolarHBondContact O-N 3.01Å; L434-V437 PolarHBondContact O-N 3.26Å; V437-K444 WeakPolarHBondContact O-CD 3.36Å; V437-K444 PolarHBondContact O-NZ 3.26Å |
| 438 | N | 97 | Very high | 97 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 68% | 0.684 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.1 | 179.9 | -68.5 | -45 | 0 | 0 | 0 | 114.3 | L434 C436 P440 | L434-N438 WeakPolarHBondContact O-CB 3.46Å; L434-N438 PolarHBondContact O-N 2.6Å; L434-N438 PolarHBondContact O-ND2 2.8Å; C436-N438 VanDerWaalsContact C-N 3.26Å; C436-N438 PolarHBondContact O-N 3.39Å; N438-P440 WeakPolarHBondContact O-CD 3.42Å |
| 439 | D | 97.7 | Very high | 97 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | trans | -85.4 | 115.7 | -179.9 | -160.8 | -45.8 | 0 | 0 | 0 | 111.4 | K417 D435 C436 R441 I442 K444 | K417-D439 WeakPolarHBondContact CE-OD2 3.24Å; K417-D439 IonicContact NZ-OD2 2.76Å; K417-D439 PolarHBondContact NZ-OD2 3.45Å; D435-D439 PolarHBondContact O-N 2.68Å; C436-D439 PolarHBondContact O-N 2.85Å; C436-D439 VanDerWaalsContact O-N 3.13Å; D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 VanDerWaalsContact O-N 3.14Å; D439-R441 VanDerWaalsContact OD1-CB 3.28Å; D439-R441 WeakPolarHBondContact OD1-CB 3.33Å; D439-R441 WeakPolarHBondContact OD1-CG 3.47Å; D439-R441 IonicContact OD1-CZ 2.71Å; D439-R441 PolarHBondContact OD1-N 3.22Å; D439-R441 IonicContact OD1-NE 3.16Å; D439-R441 PolarHBondContact OD1-NE 2.81Å; D439-R441 IonicContact OD1-NH2 2.98Å; D439-R441 IonicContact OD2-CZ 3.28Å; D439-R441 IonicContact OD2-NE 3.75Å; D439-R441 PolarHBondContact OD2-NE 3.24Å; D439-R441 IonicContact OD2-NH2 2.82Å; D439-R441 PolarHBondContact OD2-NH2 3.49Å; D439-I442 HydrophobicContact CB-CD1 4.13Å; D439-I442 HydrophobicContact CB-CG1 4.39Å; D439-I442 PolarHBondContact O-N 2.93Å; D439-K444 PolarHBondContact O-NZ 2.69Å | ||
| 440 | P | 95.2 | Very high | 97 | Very high | 123 Ų | 123 | 63 Ų | 63 | 80% | 0.799 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.4 | -177.4 | 28.8 | -35.8 | 0 | 0 | 0 | 113.7 | N438 I442 | N438-P440 WeakPolarHBondContact O-CD 3.42Å; P440-I442 VanDerWaalsContact C-N 3.34Å |
| 441 | R | 94.4 | Very high | 97 | Very high | 162 Ų | 162 | 64.4 Ų | 64.4 | 61% | 0.611 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.4 | 179.3 | -59.2 | 172.1 | -68.2 | 169 | 2.4 | 113.4 | V416 D439 | V416-R441 HydrophobicContact CG1-CB 3.93Å; V416-R441 VanDerWaalsContact CG1-CZ 3.48Å; V416-R441 HydrophobicContact CG2-CB 4.23Å; D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 VanDerWaalsContact O-N 3.14Å; D439-R441 VanDerWaalsContact OD1-CB 3.28Å; D439-R441 WeakPolarHBondContact OD1-CB 3.33Å; D439-R441 WeakPolarHBondContact OD1-CG 3.47Å; D439-R441 IonicContact OD1-CZ 2.71Å; D439-R441 PolarHBondContact OD1-N 3.22Å; D439-R441 IonicContact OD1-NE 3.16Å; D439-R441 PolarHBondContact OD1-NE 2.81Å; D439-R441 IonicContact OD1-NH2 2.98Å; D439-R441 IonicContact OD2-CZ 3.28Å; D439-R441 IonicContact OD2-NE 3.75Å; D439-R441 PolarHBondContact OD2-NE 3.24Å; D439-R441 IonicContact OD2-NH2 2.82Å; D439-R441 PolarHBondContact OD2-NH2 3.49Å |
| 442 | I | 94.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -98.8 | 130 | 179.9 | -60.6 | 172.5 | 0 | 0 | 0 | 108.1 | M408 I413 V416 K417 C436 D439 P440 K444 | M408-I442 HydrophobicContact CB-CG2 4.37Å; M408-I442 HydrophobicContact CG-CG2 4.1Å; M408-I442 HydrophobicContact SD-CG2 3.83Å; I413-I442 HydrophobicContact CG1-CD1 4.2Å; I413-I442 HydrophobicContact CG1-CG2 4.23Å; V416-I442 HydrophobicContact CB-CD1 4.38Å; V416-I442 HydrophobicContact CB-CG1 4.02Å; V416-I442 HydrophobicContact CG1-CD1 4.25Å; V416-I442 HydrophobicContact CG1-CG1 3.96Å; V416-I442 HydrophobicContact CG2-CG1 4.17Å; K417-I442 HydrophobicContact CD-CD1 4.48Å; K417-I442 HydrophobicContact CG-CD1 3.97Å; C436-I442 HydrophobicContact CB-CD1 3.87Å; D439-I442 HydrophobicContact CB-CD1 4.13Å; D439-I442 HydrophobicContact CB-CG1 4.39Å; D439-I442 PolarHBondContact O-N 2.93Å; P440-I442 VanDerWaalsContact C-N 3.34Å; I442-K444 WeakPolarHBondContact O-CE 3.38Å; I442-K444 PolarHBondContact O-NZ 2.89Å |
| 443 | E | 92.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | trans | -79.2 | 138.4 | 177.6 | -168.9 | -178.9 | 171.5 | 0 | 0 | 110.6 | R361 E412 | R361-E443 IonicContact NH1-OE2 3.39Å; E412-E443 PolarHBondContact OE2-N 3.45Å | ||
| 444 | K | 95 | Very high | 96.8 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | trans | -124.1 | 130 | -177.9 | -73.3 | 142.9 | -102.5 | -168.7 | 0 | 110.4 | H406 M408 V437 D439 I442 | H406-K444 HydrophobicContact CB-CB 4.43Å; H406-K444 HydrophobicContact CB-CG 4.18Å; M408-K444 HydrophobicContact CG-CG 3.77Å; M408-K444 HydrophobicContact SD-CG 4Å; V437-K444 WeakPolarHBondContact O-CD 3.36Å; V437-K444 PolarHBondContact O-NZ 3.26Å; D439-K444 PolarHBondContact O-NZ 2.69Å; I442-K444 WeakPolarHBondContact O-CE 3.38Å; I442-K444 PolarHBondContact O-NZ 2.89Å | ||
| 445 | R | 96.5 | Very high | 96.6 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 99 | 161.4 | 180 | -177.9 | -176.2 | 179.3 | 9.7 | 108.1 | R361 E365 L407 | R361-R445 HydrophobicContact CG-CB 4.19Å; R361-R445 PolarHBondContact O-NH1 3.34Å; E365-R445 IonicContact OE1-CZ 3.73Å; E365-R445 VanDerWaalsContact OE1-CZ 3.28Å; E365-R445 IonicContact OE1-NH1 3.84Å; E365-R445 PolarHBondContact OE1-NH1 3.24Å; E365-R445 IonicContact OE1-NH2 3.42Å; E365-R445 PolarHBondContact OE1-NH2 3.43Å; E365-R445 IonicContact OE2-CZ 3.1Å; E365-R445 IonicContact OE2-NH1 2.95Å; E365-R445 PolarHBondContact OE2-NH1 2.74Å; E365-R445 IonicContact OE2-NH2 3.74Å; L407-R445 HydrophobicContact CB-CB 4.25Å; L407-R445 HydrophobicContact CD1-CG 4.42Å; L407-R445 PolarHBondContact N-O 3.31Å; L407-R445 PolarHBondContact O-N 2.72Å |
| 446 | S | 96.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.6 | 177.8 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | H406 | H406-S446 PolarHBondContact CE1-OG 2.89Å; H406-S446 PolarHBondContact ND1-OG 2.87Å |
| 447 | V | 97.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 55 Ų | 55 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 175.3 | 172.7 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | P404 W405 L407 I452 | P404-V447 CarbonylContact C-O 3.4Å; P404-V447 WeakPolarHBondContact CA-O 3.39Å; W405-V447 HydrophobicContact CB-CG2 4.24Å; W405-V447 PolarHBondContact N-O 3.25Å; W405-V447 WeakPolarHBondContact O-CG2 3.48Å; W405-V447 PolarHBondContact O-N 3.05Å; W405-V447 VanDerWaalsContact O-O 3.14Å; L407-V447 HydrophobicContact CD1-CG2 4.37Å; L407-V447 HydrophobicContact CG-CG2 4.4Å; V447-I452 HydrophobicContact CG2-CD1 3.78Å; V447-I452 HydrophobicContact CG2-CG1 3.65Å |
| 448 | T | 98.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 154.1 | 167.9 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | A403 K450 D451 I452 | A403-T448 WeakPolarHBondContact O-CA 3.24Å; T448-K450 PolarHBondContact O-N 3.24Å; T448-D451 PolarHBondContact N-OD2 3.47Å; T448-D451 PolarHBondContact O-N 3.35Å; T448-D451 VanDerWaalsContact O-N 3.1Å; T448-D451 PolarHBondContact OG1-N 3.37Å; T448-D451 VanDerWaalsContact OG1-N 3.1Å; T448-D451 PolarHBondContact OG1-OD2 3.2Å; T448-I452 PolarHBondContact O-N 3.1Å |
| 449 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.2 | -41.7 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | F393 L396 A397 I401 A403 W405 D451 I452 V453 | F393-V449 HydrophobicContact CD2-CG1 4.48Å; F393-V449 HydrophobicContact CE2-CG1 4.09Å; F393-V449 HydrophobicContact CZ-CG1 4.39Å; L396-V449 HydrophobicContact CB-CG2 3.89Å; L396-V449 HydrophobicContact CD1-CG2 4.12Å; A397-V449 HydrophobicContact CB-CG1 3.79Å; I401-V449 WeakPolarHBondContact O-CB 3.31Å; A403-V449 HydrophobicContact CB-CG2 4.45Å; A403-V449 PolarHBondContact O-N 3.34Å; W405-V449 HydrophobicContact CB-CG2 3.87Å; W405-V449 HydrophobicContact CD2-CG2 4.48Å; W405-V449 HydrophobicContact CE3-CG2 4.24Å; W405-V449 HydrophobicContact CG-CG2 4.38Å; V449-D451 VanDerWaalsContact C-N 3.28Å; V449-D451 PolarHBondContact O-N 3.12Å; V449-I452 PolarHBondContact O-N 3.3Å; V449-I452 VanDerWaalsContact O-N 3.16Å; V449-V453 HydrophobicContact CG1-CG2 4.04Å; V449-V453 WeakPolarHBondContact O-CG2 3.38Å; V449-V453 PolarHBondContact O-N 2.81Å |
| 450 | K | 97.7 | Very high | 95.3 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -52.5 | -41.2 | 173.7 | -171.4 | 175.2 | -173.7 | 172.7 | 0 | 113.7 | I401 D402 T448 R454 | I401-K450 HydrophobicContact CD1-CB 4.46Å; I401-K450 HydrophobicContact CD1-CG 4.44Å; I401-K450 HydrophobicContact CG1-CB 3.94Å; I401-K450 HydrophobicContact CG1-CG 4.42Å; I401-K450 WeakPolarHBondContact O-CB 3.44Å; I401-K450 PolarHBondContact O-N 3.21Å; D402-K450 WeakPolarHBondContact OD1-CD 3.47Å; D402-K450 IonicContact OD1-NZ 2.6Å; D402-K450 PolarHBondContact OD1-NZ 3.16Å; D402-K450 VanDerWaalsContact OD1-NZ 3.08Å; T448-K450 PolarHBondContact O-N 3.24Å; K450-R454 VanDerWaalsContact O-CB 3.29Å; K450-R454 WeakPolarHBondContact O-CB 3.05Å; K450-R454 PolarHBondContact O-N 3.19Å |
| 451 | D | 97.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 179.4 | -65 | -38.4 | 0 | 0 | 0 | 111.3 | T448 V449 R454 L455 | T448-D451 PolarHBondContact N-OD2 3.47Å; T448-D451 PolarHBondContact O-N 3.35Å; T448-D451 VanDerWaalsContact O-N 3.1Å; T448-D451 PolarHBondContact OG1-N 3.37Å; T448-D451 VanDerWaalsContact OG1-N 3.1Å; T448-D451 PolarHBondContact OG1-OD2 3.2Å; V449-D451 VanDerWaalsContact C-N 3.28Å; V449-D451 PolarHBondContact O-N 3.12Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 IonicContact OD1-CZ 3.11Å; D451-R454 IonicContact OD1-NH1 3.99Å; D451-R454 PolarHBondContact OD1-NH1 2.91Å; D451-L455 WeakPolarHBondContact O-CG 3.37Å; D451-L455 PolarHBondContact O-N 2.75Å |
| 452 | I | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.8 | -61.7 | -54.8 | 0 | 0 | 0 | 111.1 | L363 P364 F393 L407 V447 T448 V449 R454 L455 V456 | L363-I452 HydrophobicContact CD2-CD1 4.31Å; L363-I452 HydrophobicContact CD2-CG2 3.85Å; P364-I452 HydrophobicContact CG-CD1 4.27Å; F393-I452 HydrophobicContact CE2-CB 3.99Å; F393-I452 HydrophobicContact CE2-CG2 3.67Å; F393-I452 HydrophobicContact CZ-CB 4.16Å; F393-I452 HydrophobicContact CZ-CG2 3.66Å; L407-I452 HydrophobicContact CD1-CD1 4.38Å; V447-I452 HydrophobicContact CG2-CD1 3.78Å; V447-I452 HydrophobicContact CG2-CG1 3.65Å; T448-I452 PolarHBondContact O-N 3.1Å; V449-I452 PolarHBondContact O-N 3.3Å; V449-I452 VanDerWaalsContact O-N 3.16Å; I452-R454 VanDerWaalsContact C-N 3.29Å; I452-R454 PolarHBondContact O-N 2.98Å; I452-L455 HydrophobicContact CD1-CD1 4.43Å; I452-L455 PolarHBondContact O-N 2.89Å; I452-L455 VanDerWaalsContact O-N 3.11Å; I452-V456 HydrophobicContact CG2-CG2 4.22Å; I452-V456 WeakPolarHBondContact O-CG2 3.47Å; I452-V456 PolarHBondContact O-N 2.86Å |
| 453 | V | 97.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56 | -45.6 | 175.8 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | F393 A397 V449 L455 V456 L457 L769 | F393-V453 HydrophobicContact CE1-CG2 4.1Å; F393-V453 HydrophobicContact CZ-CG2 3.74Å; A397-V453 HydrophobicContact CB-CG2 4.05Å; V449-V453 HydrophobicContact CG1-CG2 4.04Å; V449-V453 WeakPolarHBondContact O-CG2 3.38Å; V449-V453 PolarHBondContact O-N 2.81Å; V453-L455 VanDerWaalsContact C-N 3.33Å; V453-L455 PolarHBondContact O-N 3.21Å; V453-V456 PolarHBondContact O-N 3.37Å; V453-L457 HydrophobicContact CG1-CD1 3.66Å; V453-L457 HydrophobicContact CG1-CG 4.15Å; V453-L457 WeakPolarHBondContact O-CB 3.15Å; V453-L457 VanDerWaalsContact O-CG 3.27Å; V453-L457 WeakPolarHBondContact O-CG 3.41Å; V453-L457 PolarHBondContact O-N 3Å; V453-L769 HydrophobicContact CG1-CD1 3.7Å; V453-L769 HydrophobicContact CG1-CD2 4.05Å; V453-L769 HydrophobicContact CG1-CG 4.38Å |
| 454 | R | 95.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 40.9 Ų | 40.9 | 42% | 0.423 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.3 | -171.6 | -173.1 | -62.3 | 112 | -4 | 111.8 | K450 D451 I452 R458 | K450-R454 VanDerWaalsContact O-CB 3.29Å; K450-R454 WeakPolarHBondContact O-CB 3.05Å; K450-R454 PolarHBondContact O-N 3.19Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 IonicContact OD1-CZ 3.11Å; D451-R454 IonicContact OD1-NH1 3.99Å; D451-R454 PolarHBondContact OD1-NH1 2.91Å; I452-R454 VanDerWaalsContact C-N 3.29Å; I452-R454 PolarHBondContact O-N 2.98Å; R454-R458 WeakPolarHBondContact O-CB 3.25Å; R454-R458 PolarHBondContact O-N 3.13Å |
| 455 | L | 94.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 17% | 0.173 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.7 | -68.1 | 177.5 | 0 | 0 | 0 | 112 | P364 L367 D451 I452 V453 S459 | P364-L455 HydrophobicContact CB-CD1 4.03Å; L367-L455 HydrophobicContact CD1-CB 3.67Å; D451-L455 WeakPolarHBondContact O-CG 3.37Å; D451-L455 PolarHBondContact O-N 2.75Å; I452-L455 HydrophobicContact CD1-CD1 4.43Å; I452-L455 PolarHBondContact O-N 2.89Å; I452-L455 VanDerWaalsContact O-N 3.11Å; V453-L455 VanDerWaalsContact C-N 3.33Å; V453-L455 PolarHBondContact O-N 3.21Å; L455-S459 WeakPolarHBondContact O-CB 3.29Å; L455-S459 PolarHBondContact O-N 3.26Å |
| 456 | V | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.4 | -52.5 | 178.4 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | L367 Y389 I452 V453 S459 A460 P466 | L367-V456 HydrophobicContact CD1-CG2 3.81Å; L367-V456 HydrophobicContact CD2-CG2 4.16Å; Y389-V456 HydrophobicContact CE1-CG2 4.44Å; Y389-V456 WeakPolarHBondContact OH-CG1 3.41Å; Y389-V456 WeakPolarHBondContact OH-CG2 3.43Å; I452-V456 HydrophobicContact CG2-CG2 4.22Å; I452-V456 WeakPolarHBondContact O-CG2 3.47Å; I452-V456 PolarHBondContact O-N 2.86Å; V453-V456 PolarHBondContact O-N 3.37Å; V456-S459 PolarHBondContact O-N 2.8Å; V456-A460 WeakPolarHBondContact O-CB 3.19Å; V456-A460 PolarHBondContact O-N 2.95Å; V456-P466 HydrophobicContact CG1-CG 4.09Å |
| 457 | L | 94.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | -176.4 | -63.6 | -179.7 | 0 | 0 | 0 | 111.9 | V453 A460 V461 M765 V768 L769 Y772 | V453-L457 HydrophobicContact CG1-CD1 3.66Å; V453-L457 HydrophobicContact CG1-CG 4.15Å; V453-L457 WeakPolarHBondContact O-CB 3.15Å; V453-L457 VanDerWaalsContact O-CG 3.27Å; V453-L457 WeakPolarHBondContact O-CG 3.41Å; V453-L457 PolarHBondContact O-N 3Å; L457-A460 PolarHBondContact O-N 2.93Å; L457-V461 WeakPolarHBondContact O-CB 3.39Å; L457-V461 VanDerWaalsContact O-CG2 3.24Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.26Å; L457-M765 HydrophobicContact CB-SD 3.67Å; L457-V768 HydrophobicContact CD2-CB 4.38Å; L457-V768 HydrophobicContact CD2-CG1 3.8Å; L457-L769 HydrophobicContact CD1-CB 3.74Å; L457-L769 HydrophobicContact CD1-CD1 4.42Å; L457-Y772 HydrophobicContact CD2-CD2 4.01Å; L457-Y772 HydrophobicContact CD2-CE2 3.93Å |
| 458 | R | 90 | Very high | 94 | Very high | 77 Ų | 77 | 29 Ų | 29 | 29% | 0.291 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.7 | -50.7 | 173.8 | -175.9 | 176.6 | 70.5 | -131.9 | 3.7 | 111 | R454 A460 V461 E462 M765 | R454-R458 WeakPolarHBondContact O-CB 3.25Å; R454-R458 PolarHBondContact O-N 3.13Å; R458-A460 VanDerWaalsContact C-N 3.33Å; R458-A460 PolarHBondContact O-N 3.01Å; R458-V461 PolarHBondContact O-N 3.17Å; R458-E462 WeakPolarHBondContact CD-OE1 3.42Å; R458-E462 HydrophobicContact CG-CG 4.34Å; R458-E462 WeakPolarHBondContact CG-OE1 3.3Å; R458-E462 WeakPolarHBondContact O-CB 3.33Å; R458-E462 VanDerWaalsContact O-CG 3.31Å; R458-E462 WeakPolarHBondContact O-CG 3.26Å; R458-E462 PolarHBondContact O-N 2.86Å; R458-M765 HydrophobicContact CB-CE 4.32Å |
| 459 | S | 89.2 | Confident | 94 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | L455 V456 V461 E462 T463 T465 | L455-S459 WeakPolarHBondContact O-CB 3.29Å; L455-S459 PolarHBondContact O-N 3.26Å; V456-S459 PolarHBondContact O-N 2.8Å; S459-V461 VanDerWaalsContact C-N 3.34Å; S459-V461 PolarHBondContact O-N 3.04Å; S459-E462 PolarHBondContact O-N 3.36Å; S459-T463 PolarHBondContact O-N 2.82Å; S459-T463 PolarHBondContact O-OG1 2.97Å; S459-T463 VanDerWaalsContact O-OG1 3.04Å; S459-T465 CarbonylContact C-O 3.5Å; S459-T465 VanDerWaalsContact CB-O 3.28Å; S459-T465 WeakPolarHBondContact CB-O 3.33Å; S459-T465 PolarHBondContact OG-O 2.76Å |
| 460 | A | 91.1 | Very high | 94 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V456 L457 R458 G464 T465 V786 | V456-A460 WeakPolarHBondContact O-CB 3.19Å; V456-A460 PolarHBondContact O-N 2.95Å; L457-A460 PolarHBondContact O-N 2.93Å; R458-A460 VanDerWaalsContact C-N 3.33Å; R458-A460 PolarHBondContact O-N 3.01Å; A460-G464 WeakPolarHBondContact O-CA 3.41Å; A460-G464 PolarHBondContact O-N 3.46Å; A460-T465 VanDerWaalsContact CA-O 3.25Å; A460-T465 WeakPolarHBondContact CA-O 3.26Å; A460-T465 PolarHBondContact N-O 3.2Å; A460-V786 HydrophobicContact CB-CB 4.37Å; A460-V786 HydrophobicContact CB-CG2 4.07Å |
| 461 | V | 87.9 | Confident | 94 | Very high | 40 Ų | 40 | 23.4 Ų | 23.4 | 24% | 0.242 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.6 | -40.4 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | L457 R458 S459 I759 M765 V768 S788 | L457-V461 WeakPolarHBondContact O-CB 3.39Å; L457-V461 VanDerWaalsContact O-CG2 3.24Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.26Å; R458-V461 PolarHBondContact O-N 3.17Å; S459-V461 VanDerWaalsContact C-N 3.34Å; S459-V461 PolarHBondContact O-N 3.04Å; V461-I759 HydrophobicContact CB-CD1 4.44Å; V461-I759 HydrophobicContact CG1-CD1 4.33Å; V461-I759 HydrophobicContact CG2-CD1 3.79Å; V461-M765 HydrophobicContact CB-CE 4.34Å; V461-M765 HydrophobicContact CG2-CE 4.11Å; V461-M765 HydrophobicContact CG2-SD 4.29Å; V461-V768 HydrophobicContact CG2-CG2 4.42Å; V461-S788 WeakPolarHBondContact O-CB 3.25Å; V461-S788 PolarHBondContact O-OG 2.92Å |
| 462 | E | 84.5 | Confident | 94.1 | Very high | 122 Ų | 122 | 20.7 Ų | 20.7 | 57% | 0.57 | 10% | 0.096 | S | C | * | . | H | α-helix | trans | -77.2 | -40.5 | -176 | -73.1 | 175.3 | -173 | 0 | 0 | 113.2 | R458 S459 | R458-E462 WeakPolarHBondContact CD-OE1 3.42Å; R458-E462 HydrophobicContact CG-CG 4.34Å; R458-E462 WeakPolarHBondContact CG-OE1 3.3Å; R458-E462 WeakPolarHBondContact O-CB 3.33Å; R458-E462 VanDerWaalsContact O-CG 3.31Å; R458-E462 WeakPolarHBondContact O-CG 3.26Å; R458-E462 PolarHBondContact O-N 2.86Å; S459-E462 PolarHBondContact O-N 3.36Å |
| 463 | T | 84.6 | Confident | 94.1 | Very high | 26 Ų | 26 | 20.9 Ų | 20.9 | 16% | 0.16 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -122.2 | -4.5 | -170.9 | 75.4 | 0 | 0 | 0 | 0 | 113.7 | R370 S459 T465 Y785 | R370-T463 HydrophobicContact CB-CG2 4.24Å; S459-T463 PolarHBondContact O-N 2.82Å; S459-T463 PolarHBondContact O-OG1 2.97Å; S459-T463 VanDerWaalsContact O-OG1 3.04Å; T463-T465 PolarHBondContact O-N 2.8Å; T463-T465 PolarHBondContact OG1-N 3.46Å; T463-T465 PolarHBondContact OG1-O 2.78Å; T463-T465 PolarHBondContact OG1-OG1 3.19Å; T463-Y785 PolarHBondContact O-OH 2.89Å |
| 464 | G | 90.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 74.9 | 2.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A460 Y785 V786 | A460-G464 WeakPolarHBondContact O-CA 3.41Å; A460-G464 PolarHBondContact O-N 3.46Å; G464-Y785 VanDerWaalsContact CA-CE1 3.48Å; G464-V786 WeakPolarHBondContact CA-O 3.42Å; G464-V786 PolarHBondContact O-N 2.67Å |
| 465 | T | 93.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -132 | 152.8 | -178 | 62 | 0 | 0 | 0 | 0 | 108.8 | F384 P385 S459 A460 T463 F467 Y785 | F384-T465 HydrophobicContact CD1-CG2 4.3Å; P385-T465 WeakPolarHBondContact CG-OG1 3.32Å; S459-T465 CarbonylContact C-O 3.5Å; S459-T465 VanDerWaalsContact CB-O 3.28Å; S459-T465 WeakPolarHBondContact CB-O 3.33Å; S459-T465 PolarHBondContact OG-O 2.76Å; A460-T465 VanDerWaalsContact CA-O 3.25Å; A460-T465 WeakPolarHBondContact CA-O 3.26Å; A460-T465 PolarHBondContact N-O 3.2Å; T463-T465 PolarHBondContact O-N 2.8Å; T463-T465 PolarHBondContact OG1-N 3.46Å; T463-T465 PolarHBondContact OG1-O 2.78Å; T463-T465 PolarHBondContact OG1-OG1 3.19Å; T465-F467 HydrophobicContact CG2-CD1 3.97Å; T465-F467 HydrophobicContact CG2-CE1 3.6Å; T465-F467 HydrophobicContact CG2-CZ 4.39Å; T465-Y785 HydrophobicContact CG2-CE2 4.12Å | ||
| 466 | P | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | cis | -79.7 | 149.4 | 17.7 | 32.8 | -39 | 0 | 0 | 0 | 113.2 | L367 P385 V387 V456 | L367-P466 HydrophobicContact CD2-CB 4.17Å; L367-P466 HydrophobicContact CD2-CG 3.6Å; P385-P466 CarbonylContact O-C 3.59Å; P385-P466 WeakPolarHBondContact O-CA 3.38Å; V387-P466 HydrophobicContact CB-CB 4.4Å; V387-P466 HydrophobicContact CG2-CB 3.69Å; V387-P466 HydrophobicContact CG2-CG 3.92Å; V456-P466 HydrophobicContact CG1-CG 4.09Å | ||
| 467 | F | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 152.3 | 162.8 | -49.3 | -20.9 | 0 | 0 | 0 | 109.1 | A353 F384 P385 A386 V387 T465 L491 T493 Y784 Y785 | A353-F467 HydrophobicContact CB-CD2 4.31Å; A353-F467 HydrophobicContact CB-CE2 4.07Å; F384-F467 HydrophobicContact CB-CE1 4.4Å; F384-F467 HydrophobicContact CB-CE2 3.68Å; F384-F467 HydrophobicContact CB-CZ 3.58Å; F384-F467 HydrophobicContact CD1-CE1 4.44Å; F384-F467 AromaticContact CD1-CZ 3.85Å; F384-F467 HydrophobicContact CD1-CZ 3.85Å; F384-F467 HydrophobicContact CG-CE2 4.36Å; F384-F467 AromaticContact CG-CZ 3.92Å; F384-F467 HydrophobicContact CG-CZ 3.92Å; P385-F467 PolarHBondContact O-N 3.4Å; A386-F467 CarbonylContact C-O 3.59Å; A386-F467 WeakPolarHBondContact CA-O 3.43Å; A386-F467 HydrophobicContact CB-CB 3.71Å; A386-F467 HydrophobicContact CB-CD2 4.14Å; A386-F467 HydrophobicContact CB-CG 4.23Å; V387-F467 PolarHBondContact N-O 3.08Å; T465-F467 HydrophobicContact CG2-CD1 3.97Å; T465-F467 HydrophobicContact CG2-CE1 3.6Å; T465-F467 HydrophobicContact CG2-CZ 4.39Å; F467-L491 WeakPolarHBondContact CE2-O 3.34Å; F467-T493 HydrophobicContact CB-CG2 3.65Å; F467-T493 HydrophobicContact CD2-CG2 3.41Å; F467-T493 VanDerWaalsContact CD2-CG2 3.41Å; F467-T493 HydrophobicContact CE2-CG2 4.27Å; F467-T493 HydrophobicContact CG-CG2 3.8Å; F467-Y784 HydrophobicContact CD1-CD2 4.32Å; F467-Y784 WeakPolarHBondContact CD1-O 3.31Å; F467-Y784 HydrophobicContact CD2-CD2 4.16Å; F467-Y784 HydrophobicContact CD2-CE2 4.28Å; F467-Y784 HydrophobicContact CE1-CD2 4.07Å; F467-Y784 HydrophobicContact CE1-CE2 4.03Å; F467-Y784 WeakPolarHBondContact CE1-O 3.29Å; F467-Y784 AromaticContact CE2-CD2 3.94Å; F467-Y784 HydrophobicContact CE2-CD2 3.94Å; F467-Y784 AromaticContact CE2-CE2 3.61Å; F467-Y784 HydrophobicContact CE2-CE2 3.61Å; F467-Y784 HydrophobicContact CG-CD2 4.32Å; F467-Y784 WeakPolarHBondContact CG-O 3.29Å; F467-Y784 AromaticContact CZ-CD2 3.87Å; F467-Y784 HydrophobicContact CZ-CD2 3.87Å; F467-Y784 AromaticContact CZ-CE2 3.44Å; F467-Y784 HydrophobicContact CZ-CE2 3.44Å; F467-Y784 VanDerWaalsContact CZ-CE2 3.44Å; F467-Y785 AromaticContact CE1-CD2 3.62Å; F467-Y785 HydrophobicContact CE1-CD2 3.62Å; F467-Y785 HydrophobicContact CE1-CE2 4.11Å; F467-Y785 HydrophobicContact CZ-CD2 4.33Å |
| 468 | A | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y389 Y772 T782 I783 | Y389-A468 HydrophobicContact CD2-CB 4.23Å; Y389-A468 HydrophobicContact CE2-CB 3.78Å; A468-Y772 HydrophobicContact CB-CD1 4.48Å; A468-Y772 HydrophobicContact CB-CE1 3.93Å; A468-T782 CarbonylContact O-C 3.56Å; A468-T782 WeakPolarHBondContact O-CA 3.39Å; A468-I783 HydrophobicContact CB-CB 3.95Å; A468-I783 HydrophobicContact CB-CD1 4.37Å; A468-I783 HydrophobicContact CB-CG1 4.44Å; A468-I783 PolarHBondContact N-O 2.68Å; A468-I783 PolarHBondContact O-N 2.86Å |
| 469 | F | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 109.3 | 174.9 | 179.1 | -89.7 | 0 | 0 | 0 | 109.3 | Y355 V387 C388 Y389 R471 V474 I486 T782 | Y355-F469 HydrophobicContact CD1-CB 4.23Å; Y355-F469 HydrophobicContact CE1-CB 4.12Å; V387-F469 PolarHBondContact O-N 3.5Å; C388-F469 CarbonylContact C-O 3.59Å; C388-F469 WeakPolarHBondContact CA-O 3.05Å; C388-F469 HydrophobicContact CB-CD1 3.93Å; C388-F469 VanDerWaalsContact SG-CD1 3.58Å; Y389-F469 PolarHBondContact N-O 2.93Å; F469-R471 HydrophobicContact CD1-CB 4.33Å; F469-R471 HydrophobicContact CE1-CB 4.2Å; F469-R471 PolarHBondContact O-N 3.13Å; F469-R471 VanDerWaalsContact O-N 3.1Å; F469-V474 HydrophobicContact CD2-CG2 4.21Å; F469-V474 HydrophobicContact CE1-CB 4.34Å; F469-V474 HydrophobicContact CE1-CG1 4.48Å; F469-V474 HydrophobicContact CE1-CG2 4.32Å; F469-V474 HydrophobicContact CE2-CB 4.24Å; F469-V474 HydrophobicContact CE2-CG1 3.98Å; F469-V474 HydrophobicContact CE2-CG2 3.72Å; F469-V474 HydrophobicContact CZ-CB 3.83Å; F469-V474 HydrophobicContact CZ-CG1 3.58Å; F469-V474 HydrophobicContact CZ-CG2 3.78Å; F469-I486 HydrophobicContact CE2-CG2 4.32Å; F469-I486 HydrophobicContact CZ-CG2 3.84Å; F469-T782 HydrophobicContact CD2-CG2 3.83Å |
| 470 | N | 98.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 87.4 | -179.5 | -70.5 | -30.9 | 0 | 0 | 0 | 109.6 | W394 D472 S473 V474 V780 K781 | W394-N470 PolarHBondContact NE1-OD1 3.37Å; N470-D472 VanDerWaalsContact C-N 3.31Å; N470-D472 PolarHBondContact O-N 2.98Å; N470-S473 PolarHBondContact O-N 2.66Å; N470-S473 VanDerWaalsContact O-N 3.15Å; N470-V474 WeakPolarHBondContact O-CG2 3.46Å; N470-V474 PolarHBondContact O-N 3.5Å; N470-V780 PolarHBondContact ND2-O 3.01Å; N470-K781 PolarHBondContact N-O 3.03Å |
| 471 | R | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -47.4 | -49.3 | -171.3 | 170.3 | -170.7 | -84.2 | -95.8 | -7.6 | 113.1 | Y307 D357 Y389 E422 Y424 W425 F469 V474 N475 | Y307-R471 PolarHBondContact OH-NH2 2.93Å; Y307-R471 VanDerWaalsContact OH-NH2 3.14Å; D357-R471 IonicContact OD1-CZ 3.63Å; D357-R471 IonicContact OD1-NE 2.76Å; D357-R471 PolarHBondContact OD1-NE 3.24Å; D357-R471 IonicContact OD1-NH2 3.28Å; D357-R471 PolarHBondContact OD1-NH2 3.45Å; D357-R471 IonicContact OD2-NH2 3.48Å; D357-R471 PolarHBondContact OD2-NH2 3.36Å; Y389-R471 WeakPolarHBondContact O-CB 3.36Å; Y389-R471 PolarHBondContact O-N 3.05Å; E422-R471 PolarHBondContact O-NH1 3.02Å; Y424-R471 PolarHBondContact O-NH1 2.79Å; Y424-R471 VanDerWaalsContact O-NH1 3.07Å; W425-R471 HydrophobicContact CB-CG 4.32Å; F469-R471 HydrophobicContact CD1-CB 4.33Å; F469-R471 HydrophobicContact CE1-CB 4.2Å; F469-R471 PolarHBondContact O-N 3.13Å; F469-R471 VanDerWaalsContact O-N 3.1Å; R471-V474 PolarHBondContact O-N 3.3Å; R471-N475 PolarHBondContact O-N 2.76Å; R471-N475 PolarHBondContact O-ND2 3.47Å |
| 472 | D | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.9 | -40.8 | -174.3 | -67.9 | -12.7 | 0 | 0 | 0 | 111.1 | D391 W425 G426 N470 V474 N475 R476 | D391-D472 HydrophobicContact CB-CB 4.28Å; D391-D472 WeakPolarHBondContact CB-OD2 3.4Å; D391-D472 VanDerWaalsContact CG-CB 3.47Å; D391-D472 PolarHBondContact N-OD2 3.47Å; D391-D472 WeakPolarHBondContact OD2-CB 3.48Å; W425-D472 WeakPolarHBondContact CA-OD1 3.3Å; W425-D472 WeakPolarHBondContact CB-OD1 3.49Å; W425-D472 HydrophobicContact CE3-CB 4.33Å; G426-D472 VanDerWaalsContact N-CG 3.33Å; G426-D472 PolarHBondContact N-OD1 2.71Å; N470-D472 VanDerWaalsContact C-N 3.31Å; N470-D472 PolarHBondContact O-N 2.98Å; D472-V474 VanDerWaalsContact C-N 3.32Å; D472-V474 PolarHBondContact O-N 3.15Å; D472-N475 PolarHBondContact O-N 2.76Å; D472-R476 WeakPolarHBondContact O-CB 3.28Å; D472-R476 PolarHBondContact O-N 2.95Å |
| 473 | S | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.8 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | N470 M477 | N470-S473 PolarHBondContact O-N 2.66Å; N470-S473 VanDerWaalsContact O-N 3.15Å; S473-M477 WeakPolarHBondContact O-CG 3.26Å; S473-M477 PolarHBondContact O-N 3.05Å |
| 474 | V | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -53.9 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F469 N470 R471 D472 M477 N478 I486 A496 K781 | F469-V474 HydrophobicContact CD2-CG2 4.21Å; F469-V474 HydrophobicContact CE1-CB 4.34Å; F469-V474 HydrophobicContact CE1-CG1 4.48Å; F469-V474 HydrophobicContact CE1-CG2 4.32Å; F469-V474 HydrophobicContact CE2-CB 4.24Å; F469-V474 HydrophobicContact CE2-CG1 3.98Å; F469-V474 HydrophobicContact CE2-CG2 3.72Å; F469-V474 HydrophobicContact CZ-CB 3.83Å; F469-V474 HydrophobicContact CZ-CG1 3.58Å; F469-V474 HydrophobicContact CZ-CG2 3.78Å; N470-V474 WeakPolarHBondContact O-CG2 3.46Å; N470-V474 PolarHBondContact O-N 3.5Å; R471-V474 PolarHBondContact O-N 3.3Å; D472-V474 VanDerWaalsContact C-N 3.32Å; D472-V474 PolarHBondContact O-N 3.15Å; V474-M477 PolarHBondContact O-N 2.93Å; V474-N478 PolarHBondContact O-N 3.26Å; V474-N478 VanDerWaalsContact O-N 3.17Å; V474-I486 HydrophobicContact CG1-CB 3.89Å; V474-I486 HydrophobicContact CG1-CD1 3.67Å; V474-I486 HydrophobicContact CG1-CG1 4.36Å; V474-I486 HydrophobicContact CG1-CG2 3.74Å; V474-A496 HydrophobicContact CG1-CB 3.79Å; V474-K781 HydrophobicContact CG2-CB 3.65Å; V474-K781 HydrophobicContact CG2-CD 4.21Å; V474-K781 HydrophobicContact CG2-CG 3.91Å |
| 475 | N | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72 | -31 | -175.4 | -77.6 | -79.4 | 0 | 0 | 0 | 112.9 | W425 R471 D472 M477 N478 M485 I486 | W425-N475 HydrophobicContact CB-CB 4.23Å; W425-N475 HydrophobicContact CD2-CB 3.59Å; W425-N475 HydrophobicContact CE3-CB 4.24Å; W425-N475 HydrophobicContact CG-CB 3.56Å; W425-N475 HydrophobicContact CZ2-CB 4.43Å; R471-N475 PolarHBondContact O-N 2.76Å; R471-N475 PolarHBondContact O-ND2 3.47Å; D472-N475 PolarHBondContact O-N 2.76Å; N475-M477 PolarHBondContact O-N 2.81Å; N475-N478 WeakPolarHBondContact O-CB 3.36Å; N475-N478 PolarHBondContact O-N 3.04Å; N475-M485 PolarHBondContact OD1-SD 2.87Å; N475-I486 PolarHBondContact ND2-O 3.07Å; N475-I486 PolarHBondContact OD1-N 3.03Å |
| 476 | R | 97.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 17.3 Ų | 17.3 | 36% | 0.362 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -57.5 | -39.1 | 172.2 | -173.2 | -177 | -59.9 | 121 | 3.8 | 112.6 | D391 W425 D472 K651 | D391-R476 IonicContact OD2-CZ 3.85Å; D391-R476 IonicContact OD2-NH1 2.85Å; D391-R476 IonicContact OD2-NH2 3.85Å; D391-R476 PolarHBondContact OD2-NH2 3.28Å; W425-R476 HydrophobicContact CH2-CB 3.77Å; W425-R476 HydrophobicContact CH2-CG 4.21Å; W425-R476 HydrophobicContact CZ3-CB 3.6Å; W425-R476 HydrophobicContact CZ3-CG 4.21Å; D472-R476 WeakPolarHBondContact O-CB 3.28Å; D472-R476 PolarHBondContact O-N 2.95Å; R476-K651 PolarHBondContact O-NZ 3.2Å; R476-K651 VanDerWaalsContact O-NZ 3.12Å |
| 477 | M | 97.9 | Very high | 97.9 | Very high | 29 Ų | 29 | 18 Ų | 18 | 14% | 0.143 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4.3 | -175.6 | -61.7 | -58.3 | -73.6 | 0 | 0 | 113.6 | S473 V474 N475 P479 K651 R652 | S473-M477 WeakPolarHBondContact O-CG 3.26Å; S473-M477 PolarHBondContact O-N 3.05Å; V474-M477 PolarHBondContact O-N 2.93Å; N475-M477 PolarHBondContact O-N 2.81Å; M477-P479 WeakPolarHBondContact O-CD 3.28Å; M477-K651 HydrophobicContact CE-CB 4.43Å; M477-K651 HydrophobicContact SD-CB 4.2Å; M477-R652 HydrophobicContact CE-CG 3.7Å; M477-R652 PolarHBondContact O-NH2 3.35Å |
| 478 | N | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.011 | 11% | 0.105 | C | C | . | . | trans | -69.4 | 115.7 | 178.7 | 178.8 | 9.4 | 0 | 0 | 0 | 110.6 | V474 N475 N480 G481 I486 N498 Y675 | V474-N478 PolarHBondContact O-N 3.26Å; V474-N478 VanDerWaalsContact O-N 3.17Å; N475-N478 WeakPolarHBondContact O-CB 3.36Å; N475-N478 PolarHBondContact O-N 3.04Å; N478-N480 PolarHBondContact O-N 3.39Å; N478-N480 VanDerWaalsContact O-N 3.12Å; N478-N480 PolarHBondContact OD1-N 3.04Å; N478-G481 PolarHBondContact ND2-N 3.17Å; N478-G481 PolarHBondContact O-N 3.39Å; N478-I486 HydrophobicContact CB-CD1 3.69Å; N478-I486 HydrophobicContact CB-CG1 4.44Å; N478-I486 VanDerWaalsContact CG-CD1 3.49Å; N478-N498 PolarHBondContact ND2-OD1 3.05Å; N478-Y675 PolarHBondContact OD1-OH 3.28Å | ||
| 479 | P | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.6 | -179.7 | 22.9 | -29.7 | 0 | 0 | 0 | 114.5 | M477 D642 W643 Y648 Y675 D750 | M477-P479 WeakPolarHBondContact O-CD 3.28Å; P479-D642 HydrophobicContact CB-CB 4.29Å; P479-D642 WeakPolarHBondContact O-CB 3.47Å; P479-D642 PolarHBondContact O-N 3.13Å; P479-W643 HydrophobicContact CB-CZ2 4.27Å; P479-W643 HydrophobicContact CG-CZ2 4.46Å; P479-Y648 HydrophobicContact CB-CD2 4.17Å; P479-Y675 HydrophobicContact CG-CD1 3.88Å; P479-Y675 HydrophobicContact CG-CE1 3.94Å; P479-D750 HydrophobicContact CG-CB 4.39Å |
| 480 | N | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 26.4 | -175 | -59.5 | -80.1 | 0 | 0 | 0 | 112.7 | N478 H482 T483 N498 Y580 Y635 A674 Y675 | N478-N480 PolarHBondContact O-N 3.39Å; N478-N480 VanDerWaalsContact O-N 3.12Å; N478-N480 PolarHBondContact OD1-N 3.04Å; N480-H482 VanDerWaalsContact C-ND1 3.29Å; N480-H482 WeakPolarHBondContact CA-ND1 3.47Å; N480-H482 PolarHBondContact O-N 3.4Å; N480-H482 VanDerWaalsContact O-N 3.1Å; N480-H482 PolarHBondContact O-ND1 2.88Å; N480-T483 PolarHBondContact O-N 3.16Å; N480-T483 PolarHBondContact O-OG1 3.13Å; N480-T483 VanDerWaalsContact O-OG1 3.12Å; N480-N498 PolarHBondContact O-ND2 3.47Å; N480-Y580 HydrophobicContact CB-CE1 4.27Å; N480-Y635 WeakPolarHBondContact OD1-CE2 3.48Å; N480-Y635 PolarHBondContact OD1-OH 3.02Å; N480-A674 PolarHBondContact ND2-O 2.97Å; N480-Y675 VanDerWaalsContact ND2-CZ 3.32Å |
| 481 | G | 97 | Very high | 97.6 | Very high | 42 Ų | 42 | 19 Ų | 19 | 43% | 0.433 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N478 T483 | N478-G481 PolarHBondContact ND2-N 3.17Å; N478-G481 PolarHBondContact O-N 3.39Å; G481-T483 PolarHBondContact O-N 2.88Å |
| 482 | H | 97.4 | Very high | 97.5 | Very high | 77 Ų | 77 | 20 Ų | 20 | 36% | 0.356 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.3 | 176.6 | 66.1 | -52.6 | 0 | 0 | 0 | 113.9 | N480 L637 E639 G640 S641 | N480-H482 VanDerWaalsContact C-ND1 3.29Å; N480-H482 WeakPolarHBondContact CA-ND1 3.47Å; N480-H482 PolarHBondContact O-N 3.4Å; N480-H482 VanDerWaalsContact O-N 3.1Å; N480-H482 PolarHBondContact O-ND1 2.88Å; H482-L637 PolarHBondContact CE1-O 2.68Å; H482-L637 PolarHBondContact NE2-O 2.94Å; H482-E639 PolarHBondContact CD2-O 3.18Å; H482-E639 PolarHBondContact NE2-O 3.03Å; H482-G640 WeakPolarHBondContact CB-O 3.39Å; H482-G640 PolarHBondContact CD2-O 3.19Å; H482-G640 VanDerWaalsContact CG-O 3.28Å; H482-S641 VanDerWaalsContact CE1-CA 3.5Å; H482-S641 WeakPolarHBondContact CE1-CA 2.9Å; H482-S641 PolarHBondContact NE2-N 3.1Å |
| 483 | T | 95.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 20 Ų | 20 | 36% | 0.362 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -8 | -173.5 | 46.2 | 0 | 0 | 0 | 0 | 114 | N480 G481 N498 L637 | N480-T483 PolarHBondContact O-N 3.16Å; N480-T483 PolarHBondContact O-OG1 3.13Å; N480-T483 VanDerWaalsContact O-OG1 3.12Å; G481-T483 PolarHBondContact O-N 2.88Å; T483-N498 PolarHBondContact OG1-ND2 3.24Å; T483-L637 HydrophobicContact CG2-CB 4.44Å; T483-L637 HydrophobicContact CG2-CD1 4.43Å; T483-L637 HydrophobicContact CG2-CD2 4.21Å |
| 484 | G | 95.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 19.9 Ų | 19.9 | 31% | 0.309 | 12% | 0.115 | S | C | . | . | trans | -179.8 | -172.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N498 | G484-N498 PolarHBondContact N-ND2 3.43Å; G484-N498 PolarHBondContact O-OD1 3.32Å | ||
| 485 | M | 96.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 20 Ų | 20 | 6% | 0.059 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -134.9 | 145.6 | -172.7 | -160 | -76.3 | -114.1 | 0 | 0 | 110.4 | E422 N475 Y487 N498 M499 | E422-M485 WeakPolarHBondContact O-CE 3.4Å; N475-M485 PolarHBondContact OD1-SD 2.87Å; M485-Y487 HydrophobicContact CE-CD1 3.23Å; M485-Y487 HydrophobicContact CE-CE1 3.27Å; M485-Y487 HydrophobicContact CE-CG 4.08Å; M485-Y487 HydrophobicContact SD-CD1 3.92Å; M485-Y487 HydrophobicContact SD-CE1 4.08Å; M485-Y487 HydrophobicContact SD-CG 4.21Å; M485-N498 WeakPolarHBondContact O-CA 3.32Å; M485-M499 PolarHBondContact O-N 3.45Å |
| 486 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | trans | -99 | 100.8 | 175.9 | -46.9 | 176.8 | 0 | 0 | 0 | 109.8 | F469 V474 N475 N478 C488 A496 Q497 | F469-I486 HydrophobicContact CE2-CG2 4.32Å; F469-I486 HydrophobicContact CZ-CG2 3.84Å; V474-I486 HydrophobicContact CG1-CB 3.89Å; V474-I486 HydrophobicContact CG1-CD1 3.67Å; V474-I486 HydrophobicContact CG1-CG1 4.36Å; V474-I486 HydrophobicContact CG1-CG2 3.74Å; N475-I486 PolarHBondContact ND2-O 3.07Å; N475-I486 PolarHBondContact OD1-N 3.03Å; N478-I486 HydrophobicContact CB-CD1 3.69Å; N478-I486 HydrophobicContact CB-CG1 4.44Å; N478-I486 VanDerWaalsContact CG-CD1 3.49Å; I486-C488 WeakPolarHBondContact CG2-O 3.47Å; I486-A496 HydrophobicContact CD1-CB 4.06Å; I486-A496 WeakPolarHBondContact CD1-O 3.49Å; I486-A496 HydrophobicContact CG2-CB 4.24Å; I486-Q497 WeakPolarHBondContact CG2-O 3.22Å | ||
| 487 | Y | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | trans | -78.3 | -34.4 | -179.1 | -61.7 | -76.4 | 0 | 0 | 0 | 113.3 | T279 Y307 C388 E422 D423 M485 M499 | T279-Y487 HydrophobicContact CG2-CD2 4.16Å; T279-Y487 HydrophobicContact CG2-CE2 4.35Å; Y307-Y487 HydrophobicContact CD1-CD1 4.3Å; Y307-Y487 AromaticContact CD1-CG 3.94Å; Y307-Y487 HydrophobicContact CD1-CG 3.94Å; Y307-Y487 AromaticContact CE1-CD1 3.66Å; Y307-Y487 HydrophobicContact CE1-CD1 3.66Å; Y307-Y487 AromaticContact CE1-CG 3.76Å; Y307-Y487 HydrophobicContact CE1-CG 3.76Å; Y307-Y487 HydrophobicContact CG-CG 4.38Å; Y307-Y487 AromaticContact CZ-CD1 3.82Å; C388-Y487 PolarHBondContact SG-O 3.15Å; E422-Y487 HydrophobicContact CG-CD1 4.37Å; E422-Y487 HydrophobicContact CG-CE1 4.11Å; E422-Y487 WeakPolarHBondContact O-CE1 3.29Å; D423-Y487 VanDerWaalsContact OD1-CE1 3.3Å; D423-Y487 WeakPolarHBondContact OD1-CE1 3.48Å; D423-Y487 PolarHBondContact OD1-OH 3.4Å; M485-Y487 HydrophobicContact CE-CD1 3.23Å; M485-Y487 HydrophobicContact CE-CE1 3.27Å; M485-Y487 HydrophobicContact CE-CG 4.08Å; M485-Y487 HydrophobicContact SD-CD1 3.92Å; M485-Y487 HydrophobicContact SD-CE1 4.08Å; M485-Y487 HydrophobicContact SD-CG 4.21Å; Y487-M499 HydrophobicContact CD2-CB 3.77Å; Y487-M499 HydrophobicContact CE2-CB 4.32Å; Y487-M499 WeakPolarHBondContact CE2-O 3.46Å | ||
| 488 | C | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | trans | -158 | -171.6 | -176 | 83.1 | 0 | 0 | 0 | 0 | 112.4 | V277 Y307 Y355 I486 | V277-C488 WeakPolarHBondContact CG1-SG 3.36Å; Y307-C488 HydrophobicContact CD2-CB 3.95Å; Y307-C488 HydrophobicContact CG-CB 4.4Å; Y355-C488 VanDerWaalsContact CB-CB 3.44Å; Y355-C488 HydrophobicContact CD1-CB 3.72Å; Y355-C488 HydrophobicContact CD2-CB 3.81Å; Y355-C488 HydrophobicContact CE1-CB 4.39Å; Y355-C488 HydrophobicContact CE2-CB 4.48Å; Y355-C488 HydrophobicContact CG-CB 3.4Å; I486-C488 WeakPolarHBondContact CG2-O 3.47Å | ||
| 489 | S | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | trans | -120.8 | 179.4 | 178 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | V277 Y355 T493 E494 I495 | V277-S489 WeakPolarHBondContact CG1-O 3.47Å; Y355-S489 WeakPolarHBondContact CE2-O 3.49Å; Y355-S489 WeakPolarHBondContact OH-CB 3.33Å; S489-T493 VanDerWaalsContact OG-C 3.22Å; S489-T493 VanDerWaalsContact OG-CA 3.25Å; S489-T493 WeakPolarHBondContact OG-CA 3.49Å; S489-E494 PolarHBondContact OG-N 3.09Å; S489-I495 VanDerWaalsContact CA-O 3.3Å; S489-I495 WeakPolarHBondContact CA-O 3.36Å; S489-I495 WeakPolarHBondContact CB-O 3.31Å; S489-I495 PolarHBondContact OG-N 3.47Å; S489-I495 VanDerWaalsContact OG-N 3.15Å; S489-I495 PolarHBondContact OG-O 3Å | ||
| 490 | N | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -76.3 | -174.2 | 176 | 69.1 | -42.3 | 0 | 0 | 0 | 112 | C275 V277 Y355 C492 T493 E494 I495 | C275-N490 HydrophobicContact CB-CB 4.12Å; V277-N490 HydrophobicContact CG2-CB 3.76Å; Y355-N490 PolarHBondContact OH-O 3.23Å; N490-C492 PolarHBondContact O-N 3.07Å; N490-C492 VanDerWaalsContact O-N 3.16Å; N490-T493 PolarHBondContact O-N 2.94Å; N490-T493 PolarHBondContact OD1-N 3.17Å; N490-E494 PolarHBondContact ND2-OE1 3.34Å; N490-E494 PolarHBondContact ND2-OE2 2.97Å; N490-E494 VanDerWaalsContact ND2-OE2 3.1Å; N490-E494 PolarHBondContact OD1-N 3.05Å; N490-E494 PolarHBondContact OD1-OE2 3.09Å; N490-E494 VanDerWaalsContact OD1-OE2 3.05Å; N490-I495 HydrophobicContact CB-CB 3.98Å; N490-I495 HydrophobicContact CB-CG1 4.02Å; N490-I495 WeakPolarHBondContact OD1-CB 3.32Å; N490-I495 WeakPolarHBondContact OD1-CG1 3.32Å; N490-I495 PolarHBondContact OD1-N 3.29Å; N490-I495 VanDerWaalsContact OD1-N 3.15Å | ||
| 491 | L | 94.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 17.9 Ų | 17.9 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -35.8 | 176.5 | 177.4 | 63.3 | 0 | 0 | 0 | 113.7 | A351 A353 F384 F467 Y784 | A351-L491 HydrophobicContact CB-CD1 4.18Å; A351-L491 HydrophobicContact CB-CD2 3.53Å; A353-L491 HydrophobicContact CB-CD1 4.15Å; F384-L491 HydrophobicContact CD2-CD1 3.76Å; F384-L491 HydrophobicContact CE2-CD1 4.25Å; F467-L491 WeakPolarHBondContact CE2-O 3.34Å; L491-Y784 WeakPolarHBondContact O-CE2 3.36Å |
| 492 | C | 95.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 16.6 Ų | 16.6 | 14% | 0.142 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 0.4 | -171.7 | -65 | 0 | 0 | 0 | 0 | 113.4 | N490 E494 P681 S754 Y784 | N490-C492 PolarHBondContact O-N 3.07Å; N490-C492 VanDerWaalsContact O-N 3.16Å; C492-E494 WeakPolarHBondContact CA-OE2 3.41Å; C492-E494 WeakPolarHBondContact CB-OE2 3.37Å; C492-E494 PolarHBondContact O-N 2.93Å; C492-P681 HydrophobicContact CB-CG 3.91Å; C492-S754 VanDerWaalsContact O-CB 3.24Å; C492-S754 WeakPolarHBondContact O-CB 3.47Å; C492-S754 PolarHBondContact O-OG 2.81Å; C492-Y784 WeakPolarHBondContact O-CD2 3.36Å |
| 493 | T | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 67.8 | 20 | 174.8 | 70.6 | 0 | 0 | 0 | 0 | 116.8 | Y355 F467 S489 N490 T782 Y784 | Y355-T493 WeakPolarHBondContact OH-CG2 3.21Å; F467-T493 HydrophobicContact CB-CG2 3.65Å; F467-T493 HydrophobicContact CD2-CG2 3.41Å; F467-T493 VanDerWaalsContact CD2-CG2 3.41Å; F467-T493 HydrophobicContact CE2-CG2 4.27Å; F467-T493 HydrophobicContact CG-CG2 3.8Å; S489-T493 VanDerWaalsContact OG-C 3.22Å; S489-T493 VanDerWaalsContact OG-CA 3.25Å; S489-T493 WeakPolarHBondContact OG-CA 3.49Å; N490-T493 PolarHBondContact O-N 2.94Å; N490-T493 PolarHBondContact OD1-N 3.17Å; T493-T782 VanDerWaalsContact O-CB 3.23Å; T493-T782 WeakPolarHBondContact O-CB 3.47Å; T493-T782 VanDerWaalsContact O-CG2 3.26Å; T493-T782 WeakPolarHBondContact O-CG2 3.03Å; T493-T782 PolarHBondContact O-OG1 2.73Å; T493-Y784 HydrophobicContact CG2-CD2 3.91Å; T493-Y784 WeakPolarHBondContact OG1-CA 3.33Å; T493-Y784 VanDerWaalsContact OG1-CB 3.27Å; T493-Y784 WeakPolarHBondContact OG1-CB 3.46Å |
| 494 | E | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | trans | -101.5 | -15.2 | 177.8 | 74.9 | -73 | -175.8 | 0 | 0 | 114.1 | S489 N490 C492 A678 V679 A680 Q751 A752 S754 | S489-E494 PolarHBondContact OG-N 3.09Å; N490-E494 PolarHBondContact ND2-OE1 3.34Å; N490-E494 PolarHBondContact ND2-OE2 2.97Å; N490-E494 VanDerWaalsContact ND2-OE2 3.1Å; N490-E494 PolarHBondContact OD1-N 3.05Å; N490-E494 PolarHBondContact OD1-OE2 3.09Å; N490-E494 VanDerWaalsContact OD1-OE2 3.05Å; C492-E494 WeakPolarHBondContact CA-OE2 3.41Å; C492-E494 WeakPolarHBondContact CB-OE2 3.37Å; C492-E494 PolarHBondContact O-N 2.93Å; E494-A678 HydrophobicContact CB-CB 4.39Å; E494-A678 HydrophobicContact CG-CB 4.04Å; E494-V679 WeakPolarHBondContact CB-O 3.33Å; E494-A680 HydrophobicContact CG-CB 3.91Å; E494-Q751 WeakPolarHBondContact O-CB 3.38Å; E494-A752 CarbonylContact O-C 3.51Å; E494-A752 WeakPolarHBondContact O-CA 3.49Å; E494-A752 WeakPolarHBondContact O-CB 3.44Å; E494-A752 PolarHBondContact O-N 3.04Å; E494-S754 WeakPolarHBondContact CB-OG 3.4Å; E494-S754 PolarHBondContact OE2-OG 3.43Å | ||
| 495 | I | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | -96.6 | 126.5 | -172.3 | -61 | -72.8 | 0 | 0 | 0 | 110 | V277 S489 N490 Q497 V528 C530 L532 A678 | V277-I495 HydrophobicContact CG2-CG2 4.39Å; S489-I495 VanDerWaalsContact CA-O 3.3Å; S489-I495 WeakPolarHBondContact CA-O 3.36Å; S489-I495 WeakPolarHBondContact CB-O 3.31Å; S489-I495 PolarHBondContact OG-N 3.47Å; S489-I495 VanDerWaalsContact OG-N 3.15Å; S489-I495 PolarHBondContact OG-O 3Å; N490-I495 HydrophobicContact CB-CB 3.98Å; N490-I495 HydrophobicContact CB-CG1 4.02Å; N490-I495 WeakPolarHBondContact OD1-CB 3.32Å; N490-I495 WeakPolarHBondContact OD1-CG1 3.32Å; N490-I495 PolarHBondContact OD1-N 3.29Å; N490-I495 VanDerWaalsContact OD1-N 3.15Å; I495-Q497 HydrophobicContact CG2-CG 3.99Å; I495-V528 HydrophobicContact CG2-CG1 3.6Å; I495-C530 HydrophobicContact CD1-CB 3.94Å; I495-C530 HydrophobicContact CG1-CB 4.23Å; I495-C530 WeakPolarHBondContact CG1-SG 3.46Å; I495-L532 HydrophobicContact CD1-CD2 4.07Å; I495-A678 HydrophobicContact CD1-CB 4.09Å | ||
| 496 | A | 98.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | trans | -137.3 | 90.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V474 I486 Y675 Q751 | V474-A496 HydrophobicContact CG1-CB 3.79Å; I486-A496 HydrophobicContact CD1-CB 4.06Å; I486-A496 WeakPolarHBondContact CD1-O 3.49Å; I486-A496 HydrophobicContact CG2-CB 4.24Å; A496-Y675 WeakPolarHBondContact O-CE1 3.49Å; A496-Q751 HydrophobicContact CB-CB 4.17Å | ||
| 497 | Q | 98.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | trans | -133.7 | 156.5 | -174.7 | -58.4 | 179.7 | 24.2 | 0 | 0 | 110.5 | I486 I495 M499 V528 S582 Y675 | I486-Q497 WeakPolarHBondContact CG2-O 3.22Å; I495-Q497 HydrophobicContact CG2-CG 3.99Å; Q497-M499 WeakPolarHBondContact O-CG 3.5Å; Q497-V528 HydrophobicContact CB-CG1 4.01Å; Q497-V528 HydrophobicContact CB-CG2 3.91Å; Q497-V528 HydrophobicContact CG-CG1 4.2Å; Q497-S582 VanDerWaalsContact CD-CB 3.41Å; Q497-S582 PolarHBondContact OE1-OG 3.17Å; Q497-Y675 HydrophobicContact CB-CD2 4.31Å; Q497-Y675 HydrophobicContact CB-CE1 4.43Å; Q497-Y675 HydrophobicContact CB-CE2 3.83Å; Q497-Y675 HydrophobicContact CG-CD1 4.2Å; Q497-Y675 HydrophobicContact CG-CD2 3.76Å; Q497-Y675 HydrophobicContact CG-CE1 4.24Å; Q497-Y675 HydrophobicContact CG-CE2 3.81Å; Q497-Y675 HydrophobicContact CG-CG 3.95Å | ||
| 498 | N | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | trans | -59.1 | 139.2 | 179 | -73.4 | -11.3 | 0 | 0 | 0 | 111.5 | N478 N480 T483 G484 M485 V528 Y580 Y675 | N478-N498 PolarHBondContact ND2-OD1 3.05Å; N480-N498 PolarHBondContact O-ND2 3.47Å; T483-N498 PolarHBondContact OG1-ND2 3.24Å; G484-N498 PolarHBondContact N-ND2 3.43Å; G484-N498 PolarHBondContact O-OD1 3.32Å; M485-N498 WeakPolarHBondContact O-CA 3.32Å; N498-V528 WeakPolarHBondContact O-CG2 3.18Å; N498-Y580 HydrophobicContact CB-CE1 4.2Å; N498-Y580 WeakPolarHBondContact CB-OH 3.07Å; N498-Y580 PolarHBondContact ND2-OH 2.89Å; N498-Y675 PolarHBondContact N-OH 3.05Å; N498-Y675 PolarHBondContact OD1-OH 2.92Å | ||
| 499 | M | 97.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 150.1 | -175.5 | -69.4 | 176.8 | 71.7 | 0 | 0 | 109.8 | V277 D278 T279 M485 Y487 Q497 V528 | V277-M499 HydrophobicContact CB-CE 4.08Å; V277-M499 HydrophobicContact CB-SD 4.43Å; V277-M499 HydrophobicContact CG1-CE 3.36Å; V277-M499 HydrophobicContact CG1-SD 3.78Å; D278-M499 VanDerWaalsContact C-CE 3.49Å; D278-M499 WeakPolarHBondContact O-CE 3.28Å; T279-M499 WeakPolarHBondContact OG1-CB 3.4Å; T279-M499 WeakPolarHBondContact OG1-CE 3.42Å; M485-M499 PolarHBondContact O-N 3.45Å; Y487-M499 HydrophobicContact CD2-CB 3.77Å; Y487-M499 HydrophobicContact CE2-CB 4.32Å; Y487-M499 WeakPolarHBondContact CE2-O 3.46Å; Q497-M499 WeakPolarHBondContact O-CG 3.5Å; M499-V528 HydrophobicContact CG-CG2 3.8Å |
| 500 | A | 96.5 | Very high | 93.4 | Very high | 31 Ų | 31 | 39 Ų | 39 | 26% | 0.256 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -153.6 | 144.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G525 E526 | A500-G525 CarbonylContact O-C 3.6Å; A500-G525 VanDerWaalsContact O-CA 3.28Å; A500-G525 WeakPolarHBondContact O-CA 3.12Å; A500-E526 HydrophobicContact CB-CB 4.17Å; A500-E526 HydrophobicContact CB-CG 3.92Å; A500-E526 PolarHBondContact O-N 2.73Å |
| 501 | P | 95 | Very high | 92.9 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | trans | -69.6 | 149.2 | 179.3 | 28.6 | -32.2 | 0 | 0 | 0 | 111.7 | T279 P281 K310 G525 | T279-P501 HydrophobicContact CG2-CB 3.98Å; T279-P501 HydrophobicContact CG2-CG 4.31Å; P281-P501 HydrophobicContact CB-CB 4.2Å; P281-P501 HydrophobicContact CG-CB 3.89Å; K310-P501 HydrophobicContact CD-CG 4.33Å; P501-G525 WeakPolarHBondContact O-CA 3.42Å | ||
| 502 | I | 92.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | trans | -69.7 | 140.6 | 167.6 | -62.6 | 168.9 | 0 | 0 | 0 | 108.8 | P281 R289 N293 T522 Y572 | P281-I502 WeakPolarHBondContact CG-O 3.25Å; R289-I502 HydrophobicContact CG-CD1 4.28Å; N293-I502 VanDerWaalsContact ND2-CD1 3.31Å; N293-I502 WeakPolarHBondContact ND2-CD1 3.37Å; I502-T522 HydrophobicContact CG2-CG2 4.46Å; I502-Y572 HydrophobicContact CD1-CD1 4.49Å; I502-Y572 HydrophobicContact CD1-CD2 3.77Å; I502-Y572 HydrophobicContact CD1-CE2 3.86Å; I502-Y572 HydrophobicContact CD1-CG 4.11Å | ||
| 503 | E | 90.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.1 | 179.2 | -170.8 | -173.6 | 145.6 | 0 | 0 | 110.4 | T522 R523 | E503-T522 CarbonylContact O-C 3.57Å; E503-T522 VanDerWaalsContact O-CA 3.26Å; E503-T522 WeakPolarHBondContact O-CA 3.32Å; E503-R523 HydrophobicContact CB-CB 4.13Å; E503-R523 PolarHBondContact N-O 2.93Å; E503-R523 PolarHBondContact O-N 3.34Å; E503-R523 IonicContact OE1-CZ 3.24Å; E503-R523 IonicContact OE1-NH1 2.8Å; E503-R523 PolarHBondContact OE1-NH1 2.67Å; E503-R523 IonicContact OE2-CZ 3.79Å; E503-R523 IonicContact OE2-NH1 2.64Å; E503-R523 PolarHBondContact OE2-NH1 2.79Å |
| 504 | H | 87.7 | Confident | 91.3 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 39% | 0.394 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.2 | 169.4 | 176.3 | -82.5 | 0 | 0 | 0 | 109.5 | S506 T507 | H504-S506 PolarHBondContact NE2-O 3.39Å; H504-T507 PolarHBondContact NE2-OG1 3.45Å |
| 505 | I | 87.9 | Confident | 90.6 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -57.2 | -179.1 | -59.9 | 175.1 | 0 | 0 | 0 | 110.5 | A521 R523 | I505-A521 HydrophobicContact CB-CB 4.22Å; I505-A521 WeakPolarHBondContact CB-O 3.17Å; I505-A521 PolarHBondContact N-O 3.11Å; I505-R523 HydrophobicContact CD1-CB 3.98Å; I505-R523 HydrophobicContact CG1-CB 4.3Å |
| 506 | S | 86.5 | Confident | 90.1 | Very high | 29 Ų | 29 | 68 Ų | 68 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 158.1 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | H504 E508 T520 A521 | H504-S506 PolarHBondContact NE2-O 3.39Å; S506-E508 PolarHBondContact OG-OE1 2.83Å; S506-T520 CarbonylContact O-C 3.34Å; S506-T520 WeakPolarHBondContact O-CA 3.33Å; S506-A521 PolarHBondContact N-O 3.37Å; S506-A521 PolarHBondContact O-N 2.92Å |
| 507 | T | 87.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.6 | 165.1 | -63.2 | 0 | 0 | 0 | 0 | 107.5 | H504 V518 V519 | H504-T507 PolarHBondContact NE2-OG1 3.45Å; T507-V518 HydrophobicContact CG2-CG1 3.69Å; T507-V519 CarbonylContact C-O 3.47Å; T507-V519 WeakPolarHBondContact CA-O 3.44Å |
| 508 | E | 89.1 | Confident | 89.1 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143 | -174.6 | -69.2 | 168.9 | -149.4 | 0 | 0 | 109.6 | S506 V518 V519 | S506-E508 PolarHBondContact OG-OE1 2.83Å; E508-V518 WeakPolarHBondContact O-CA 3.33Å; E508-V519 PolarHBondContact N-O 3.46Å; E508-V519 PolarHBondContact O-N 2.9Å |
| 509 | V | 88.3 | Confident | 88.5 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.6 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | T516 V517 V518 | V509-T516 HydrophobicContact CG1-CG2 3.42Å; V509-T516 VanDerWaalsContact CG1-CG2 3.42Å; V509-V517 WeakPolarHBondContact CA-O 2.75Å; V509-V518 HydrophobicContact CG2-CG1 4.44Å; V509-V518 HydrophobicContact CG2-CG2 4.12Å |
| 510 | H | 88.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 80 Ų | 80 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.3 | 175.1 | 54.9 | -99.4 | 0 | 0 | 0 | 110.6 | V517 V519 | H510-V517 PolarHBondContact N-O 2.75Å; H510-V517 PolarHBondContact O-N 2.97Å; H510-V519 WeakPolarHBondContact CE1-CG2 3.36Å |
| 511 | T | 85.9 | Confident | 87.4 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.7 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | D515 | T511-D515 CarbonylContact C-O 3.57Å; T511-D515 WeakPolarHBondContact CA-O 3.39Å |
| 512 | E | 80.3 | Confident | 87.1 | Confident | 111 Ų | 111 | 79.9 Ų | 79.9 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.5 | 176.5 | -163.2 | 174.5 | -168.4 | 0 | 0 | 108.9 | G514 D515 V517 | E512-G514 PolarHBondContact O-N 3.3Å; E512-D515 PolarHBondContact N-O 2.81Å; E512-D515 PolarHBondContact O-N 3.44Å; E512-V517 HydrophobicContact CB-CG2 4.37Å |
| 513 | N | 85.7 | Confident | 87 | Confident | 163 Ų | 163 | 85 Ų | 85 | 87% | 0.872 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 26.2 | -179 | -59.2 | -41.1 | 0 | 0 | 0 | 115.8 | ||
| 514 | G | 86.4 | Confident | 86.7 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -10.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | E512 | E512-G514 PolarHBondContact O-N 3.3Š|
| 515 | D | 84.5 | Confident | 86.9 | Confident | 116 Ų | 116 | 79 Ų | 79 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.3 | 177.2 | -69.1 | -38 | 0 | 0 | 0 | 111 | T511 E512 V517 | T511-D515 CarbonylContact C-O 3.57Å; T511-D515 WeakPolarHBondContact CA-O 3.39Å; E512-D515 PolarHBondContact N-O 2.81Å; E512-D515 PolarHBondContact O-N 3.44Å; D515-V517 PolarHBondContact O-N 2.91Å |
| 516 | T | 87.6 | Confident | 87.2 | Confident | 103 Ų | 103 | 76 Ų | 76 | 63% | 0.632 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.4 | 173 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | V509 | V509-T516 HydrophobicContact CG1-CG2 3.42Å; V509-T516 VanDerWaalsContact CG1-CG2 3.42Å |
| 517 | V | 87.5 | Confident | 87.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 30% | 0.303 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.8 | -179.4 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | V509 H510 E512 D515 V519 | V509-V517 WeakPolarHBondContact CA-O 2.75Å; H510-V517 PolarHBondContact N-O 2.75Å; H510-V517 PolarHBondContact O-N 2.97Å; E512-V517 HydrophobicContact CB-CG2 4.37Å; D515-V517 PolarHBondContact O-N 2.91Å; V517-V519 HydrophobicContact CG1-CG2 3.96Å |
| 518 | V | 87.1 | Confident | 88.1 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.3 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | T507 E508 V509 | T507-V518 HydrophobicContact CG2-CG1 3.69Å; E508-V518 WeakPolarHBondContact O-CA 3.33Å; V509-V518 HydrophobicContact CG2-CG1 4.44Å; V509-V518 HydrophobicContact CG2-CG2 4.12Å |
| 519 | V | 86.1 | Confident | 88.5 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.1 | 179 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | T507 E508 H510 V517 | T507-V519 CarbonylContact C-O 3.47Å; T507-V519 WeakPolarHBondContact CA-O 3.44Å; E508-V519 PolarHBondContact N-O 3.46Å; E508-V519 PolarHBondContact O-N 2.9Å; H510-V519 WeakPolarHBondContact CE1-CG2 3.36Å; V517-V519 HydrophobicContact CG1-CG2 3.96Å |
| 520 | T | 84 | Confident | 88.8 | Confident | 61 Ų | 61 | 61 Ų | 61 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.5 | 173.9 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | S506 T522 | S506-T520 CarbonylContact O-C 3.34Å; S506-T520 WeakPolarHBondContact O-CA 3.33Å; T520-T522 HydrophobicContact CG2-CG2 4.28Å |
| 521 | A | 87.6 | Confident | 89.2 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 131.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I505 S506 | I505-A521 HydrophobicContact CB-CB 4.22Å; I505-A521 WeakPolarHBondContact CB-O 3.17Å; I505-A521 PolarHBondContact N-O 3.11Å; S506-A521 PolarHBondContact N-O 3.37Å; S506-A521 PolarHBondContact O-N 2.92Å |
| 522 | T | 87.4 | Confident | 89.7 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 23% | 0.233 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.5 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | I502 E503 T520 Y572 | I502-T522 HydrophobicContact CG2-CG2 4.46Å; E503-T522 CarbonylContact O-C 3.57Å; E503-T522 VanDerWaalsContact O-CA 3.26Å; E503-T522 WeakPolarHBondContact O-CA 3.32Å; T520-T522 HydrophobicContact CG2-CG2 4.28Å; T522-Y572 PolarHBondContact OG1-OH 3.43Å |
| 523 | R | 90.7 | Very high | 90.6 | Very high | 123 Ų | 123 | 48.3 Ų | 48.3 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.9 | 166.7 | -167.9 | 173.1 | -69.7 | 126.6 | 6.1 | 108 | E503 I505 G525 | E503-R523 HydrophobicContact CB-CB 4.13Å; E503-R523 PolarHBondContact N-O 2.93Å; E503-R523 PolarHBondContact O-N 3.34Å; E503-R523 IonicContact OE1-CZ 3.24Å; E503-R523 IonicContact OE1-NH1 2.8Å; E503-R523 PolarHBondContact OE1-NH1 2.67Å; E503-R523 IonicContact OE2-CZ 3.79Å; E503-R523 IonicContact OE2-NH1 2.64Å; E503-R523 PolarHBondContact OE2-NH1 2.79Å; I505-R523 HydrophobicContact CD1-CB 3.98Å; I505-R523 HydrophobicContact CG1-CB 4.3Å; R523-G525 PolarHBondContact O-N 3.46Å |
| 524 | P | 85.6 | Confident | 91.2 | Very high | 55 Ų | 55 | 41 Ų | 41 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -63.1 | 127.1 | 173.7 | 27.7 | -33.4 | 0 | 0 | 0 | 108.7 | Y572 L575 | P524-Y572 HydrophobicContact CB-CD1 3.95Å; P524-L575 HydrophobicContact CB-CD1 4.06Å; P524-L575 HydrophobicContact CG-CD1 4.14Å | ||
| 525 | G | 90.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | trans | -71.9 | -161.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A500 P501 R523 | A500-G525 CarbonylContact O-C 3.6Å; A500-G525 VanDerWaalsContact O-CA 3.28Å; A500-G525 WeakPolarHBondContact O-CA 3.12Å; P501-G525 WeakPolarHBondContact O-CA 3.42Å; R523-G525 PolarHBondContact O-N 3.46Å | ||
| 526 | E | 95.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 107.1 | 169.3 | -56.4 | -64.4 | 180 | 0 | 0 | 109.5 | A500 T576 K579 Y580 | A500-E526 HydrophobicContact CB-CB 4.17Å; A500-E526 HydrophobicContact CB-CG 3.92Å; A500-E526 PolarHBondContact O-N 2.73Å; E526-T576 WeakPolarHBondContact CA-OG1 3.1Å; E526-T576 HydrophobicContact CB-CG2 4.27Å; E526-T576 WeakPolarHBondContact OE2-CG2 3.34Å; E526-T576 PolarHBondContact OE2-OG1 3.2Å; E526-K579 VanDerWaalsContact CD-NZ 3.32Å; E526-K579 IonicContact OE1-NZ 2.81Å; E526-K579 PolarHBondContact OE1-NZ 3.25Å; E526-K579 IonicContact OE2-NZ 3.21Å; E526-K579 PolarHBondContact OE2-NZ 2.89Å; E526-Y580 HydrophobicContact CG-CE2 4.27Å |
| 527 | F | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | trans | -106.2 | 99.6 | -177 | -162.9 | -81.6 | 0 | 0 | 0 | 109 | F276 D278 N293 V297 M304 L570 A573 T576 | F276-F527 HydrophobicContact CB-CD1 4.35Å; F276-F527 HydrophobicContact CB-CE1 3.58Å; F276-F527 HydrophobicContact CB-CZ 4.23Å; F276-F527 HydrophobicContact CD1-CD1 4.09Å; F276-F527 AromaticContact CD1-CE1 3.64Å; F276-F527 HydrophobicContact CD1-CE1 3.64Å; F276-F527 AromaticContact CG-CE1 3.91Å; F276-F527 HydrophobicContact CG-CE1 3.91Å; D278-F527 HydrophobicContact CB-CD2 3.93Å; D278-F527 HydrophobicContact CB-CE2 3.6Å; D278-F527 HydrophobicContact CB-CZ 4.42Å; N293-F527 HydrophobicContact CB-CE2 3.93Å; N293-F527 HydrophobicContact CB-CZ 4.2Å; V297-F527 HydrophobicContact CG2-CE1 4.26Å; V297-F527 HydrophobicContact CG2-CZ 4.2Å; M304-F527 HydrophobicContact CE-CE2 3.86Å; M304-F527 HydrophobicContact CE-CZ 3.62Å; M304-F527 HydrophobicContact SD-CZ 4.25Å; F527-L570 HydrophobicContact CE1-CD1 3.81Å; F527-L570 HydrophobicContact CE2-CD1 4.1Å; F527-L570 HydrophobicContact CZ-CD1 3.5Å; F527-A573 HydrophobicContact CD1-CB 3.72Å; F527-A573 HydrophobicContact CE1-CB 4.21Å; F527-T576 PolarHBondContact N-OG1 2.7Å; F527-T576 VanDerWaalsContact O-CB 3.31Å; F527-T576 WeakPolarHBondContact O-CB 3.49Å; F527-T576 WeakPolarHBondContact O-CG2 3.33Å | ||
| 528 | V | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 145.5 | -167.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | F276 V277 I495 Q497 N498 M499 | F276-V528 CarbonylContact C-O 3.44Å; F276-V528 WeakPolarHBondContact CA-O 3.36Å; V277-V528 HydrophobicContact CB-CB 3.77Å; V277-V528 HydrophobicContact CB-CG1 4.31Å; V277-V528 HydrophobicContact CB-CG2 4.32Å; V277-V528 HydrophobicContact CG2-CB 3.83Å; V277-V528 HydrophobicContact CG2-CG1 3.79Å; V277-V528 PolarHBondContact N-O 2.82Å; V277-V528 VanDerWaalsContact N-O 3.08Å; V277-V528 PolarHBondContact O-N 3.48Å; I495-V528 HydrophobicContact CG2-CG1 3.6Å; Q497-V528 HydrophobicContact CB-CG1 4.01Å; Q497-V528 HydrophobicContact CB-CG2 3.91Å; Q497-V528 HydrophobicContact CG-CG1 4.2Å; N498-V528 WeakPolarHBondContact O-CG2 3.18Å; M499-V528 HydrophobicContact CG-CG2 3.8Å |
| 529 | V | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.5 | 178.5 | -173 | 0 | 0 | 0 | 0 | 110.3 | S273 F276 Y568 A573 N577 | S273-V529 VanDerWaalsContact CB-CG1 3.44Å; S273-V529 WeakPolarHBondContact OG-CG1 3.02Å; F276-V529 HydrophobicContact CD1-CB 4.41Å; F276-V529 HydrophobicContact CD1-CG1 4.33Å; F276-V529 HydrophobicContact CD1-CG2 3.87Å; F276-V529 HydrophobicContact CE1-CB 4.38Å; F276-V529 HydrophobicContact CE1-CG1 3.89Å; F276-V529 HydrophobicContact CE1-CG2 3.87Å; F276-V529 HydrophobicContact CZ-CG1 4.48Å; V529-Y568 HydrophobicContact CG1-CE1 4.47Å; V529-Y568 HydrophobicContact CG2-CE1 4.45Å; V529-A573 HydrophobicContact CG2-CB 3.69Å; V529-A573 WeakPolarHBondContact CG2-O 2.69Å; V529-N577 HydrophobicContact CB-CB 4.23Å; V529-N577 HydrophobicContact CG2-CB 4.04Å |
| 530 | C | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -103.4 | 107 | -179.5 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | S274 C275 I495 L532 | S274-C530 PolarHBondContact N-O 3.4Å; C275-C530 VanDerWaalsContact C-SG 3.5Å; C275-C530 HydrophobicContact CB-CB 4.25Å; C275-C530 PolarHBondContact O-N 3.24Å; C275-C530 PolarHBondContact O-SG 2.7Å; I495-C530 HydrophobicContact CD1-CB 3.94Å; I495-C530 HydrophobicContact CG1-CB 4.23Å; I495-C530 WeakPolarHBondContact CG1-SG 3.46Å; C530-L532 HydrophobicContact CB-CD1 4.13Å; C530-L532 HydrophobicContact CB-CG 4.09Å | ||
| 531 | N | 97 | Very high | 95.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.011 | 11% | 0.109 | C | C | . | . | trans | -103 | 100.9 | 172.6 | -52.7 | -59.8 | 0 | 0 | 0 | 108.4 | S273 V562 N577 S582 G584 | S273-N531 WeakPolarHBondContact CB-OD1 3.44Å; S273-N531 PolarHBondContact OG-OD1 2.86Å; N531-V562 HydrophobicContact CB-CG1 4.24Å; N531-N577 PolarHBondContact ND2-ND2 2.85Å; N531-N577 PolarHBondContact ND2-OD1 2.97Å; N531-S582 PolarHBondContact ND2-O 2.93Å; N531-G584 PolarHBondContact O-N 2.87Å | ||
| 532 | L | 96.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 18.3 Ų | 18.3 | 8% | 0.084 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.7 | -164.4 | -62.2 | 175.8 | 0 | 0 | 0 | 112.8 | A258 I495 C530 G584 A678 A680 | A258-L532 HydrophobicContact CB-CB 4.08Å; A258-L532 VanDerWaalsContact CB-O 3.29Å; A258-L532 WeakPolarHBondContact CB-O 3.39Å; A258-L532 PolarHBondContact N-O 3.1Å; I495-L532 HydrophobicContact CD1-CD2 4.07Å; C530-L532 HydrophobicContact CB-CD1 4.13Å; C530-L532 HydrophobicContact CB-CG 4.09Å; L532-G584 WeakPolarHBondContact CA-O 3.3Å; L532-G584 VanDerWaalsContact CD2-O 3.25Å; L532-G584 WeakPolarHBondContact CD2-O 3.49Å; L532-A678 HydrophobicContact CD2-CB 4.27Å; L532-A680 HydrophobicContact CD1-CB 3.97Å |
| 533 | A | 98 | Very high | 96 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V255 T256 M257 L559 G584 L585 G586 | V255-A533 HydrophobicContact CG1-CB 4.33Å; T256-A533 CarbonylContact O-C 3.54Å; T256-A533 VanDerWaalsContact O-CA 3.31Å; T256-A533 WeakPolarHBondContact O-CA 3.28Å; M257-A533 HydrophobicContact CE-CB 4.28Å; M257-A533 HydrophobicContact SD-CB 3.91Å; A533-L559 HydrophobicContact CB-CD1 4.04Å; A533-L559 HydrophobicContact CB-CD2 3.77Å; A533-L559 HydrophobicContact CB-CG 4.03Å; A533-G584 PolarHBondContact N-O 2.67Å; A533-L585 HydrophobicContact CB-CD1 4.19Å; A533-G586 PolarHBondContact O-N 2.86Å |
| 534 | S | 98.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 130.5 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | V255 T256 G586 | V255-S534 WeakPolarHBondContact CA-O 3.39Å; T256-S534 PolarHBondContact N-O 2.97Å; T256-S534 PolarHBondContact O-N 2.9Å; S534-G586 WeakPolarHBondContact CA-O 3.4Å |
| 535 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.1 | 167.2 | -56.6 | 176.3 | 0 | 0 | 0 | 109.1 | V255 L537 L540 M548 T551 V552 L585 G586 V587 S588 I617 | V255-L535 HydrophobicContact CG2-CD2 3.84Å; L535-L537 HydrophobicContact CB-CD2 4.16Å; L535-L537 PolarHBondContact O-N 2.9Å; L535-L540 HydrophobicContact CB-CD1 3.84Å; L535-L540 HydrophobicContact CD2-CD1 4.37Å; L535-M548 HydrophobicContact CD1-CE 4.27Å; L535-T551 HydrophobicContact CD2-CG2 4.33Å; L535-V552 HydrophobicContact CD1-CG2 3.92Å; L535-L585 HydrophobicContact CD1-CD2 4.29Å; L535-L585 HydrophobicContact CD2-CD1 4.07Å; L535-L585 HydrophobicContact CD2-CD2 4.4Å; L535-L585 HydrophobicContact CG-CD1 4.02Å; L535-L585 HydrophobicContact CG-CD2 4.35Å; L535-L585 HydrophobicContact CG-CG 4.28Å; L535-G586 PolarHBondContact N-O 3.46Å; L535-V587 HydrophobicContact CB-CG1 4.44Å; L535-V587 CarbonylContact O-C 3.49Å; L535-V587 WeakPolarHBondContact O-CA 3.49Å; L535-S588 PolarHBondContact O-N 2.99Å; L535-S588 VanDerWaalsContact O-O 3.13Å; L535-S588 PolarHBondContact O-OG 3.5Å; L535-I617 HydrophobicContact CD1-CD1 4.01Å; L535-I617 HydrophobicContact CD1-CG1 4.03Å; L535-I617 HydrophobicContact CD1-CG2 4.07Å |
| 536 | S | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 85.8 | 174.5 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | M253 E254 G538 N539 L540 | M253-S536 WeakPolarHBondContact O-CB 3.3Å; M253-S536 PolarHBondContact O-OG 3.26Å; E254-S536 PolarHBondContact O-N 3.22Å; S536-G538 VanDerWaalsContact C-N 3.27Å; S536-G538 PolarHBondContact O-N 3.22Å; S536-G538 VanDerWaalsContact O-N 3.16Å; S536-N539 WeakPolarHBondContact O-CA 3.32Å; S536-N539 PolarHBondContact O-N 3.07Å; S536-L540 PolarHBondContact O-N 2.92Å |
| 537 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -59.5 | -32.5 | -169 | -60.7 | 179.6 | 0 | 0 | 0 | 114.2 | L535 N539 L540 V542 V587 S588 Y590 M593 I617 | L535-L537 HydrophobicContact CB-CD2 4.16Å; L535-L537 PolarHBondContact O-N 2.9Å; L537-N539 VanDerWaalsContact C-N 3.27Å; L537-N539 PolarHBondContact O-N 2.71Å; L537-L540 PolarHBondContact O-N 2.94Å; L537-V542 HydrophobicContact CB-CG1 4.36Å; L537-V542 HydrophobicContact CD2-CG1 4.14Å; L537-V587 HydrophobicContact CD1-CB 3.74Å; L537-V587 HydrophobicContact CD1-CG1 3.99Å; L537-V587 HydrophobicContact CD1-CG2 3.97Å; L537-V587 HydrophobicContact CD2-CB 4.34Å; L537-V587 HydrophobicContact CD2-CG1 4.04Å; L537-V587 HydrophobicContact CG-CB 3.92Å; L537-V587 HydrophobicContact CG-CG1 4.16Å; L537-S588 PolarHBondContact N-O 3.31Å; L537-Y590 HydrophobicContact CD1-CD2 4.16Å; L537-M593 HydrophobicContact CB-CB 3.79Å; L537-M593 HydrophobicContact CB-CG 4.1Å; L537-M593 HydrophobicContact CB-SD 3.9Å; L537-M593 HydrophobicContact CD1-CE 4.48Å; L537-M593 HydrophobicContact CD1-SD 3.86Å; L537-M593 HydrophobicContact CG-SD 4.39Å; L537-I617 HydrophobicContact CD2-CD1 4.03Å |
| 538 | G | 96.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -69.1 | -23.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S536 K596 | S536-G538 VanDerWaalsContact C-N 3.27Å; S536-G538 PolarHBondContact O-N 3.22Å; S536-G538 VanDerWaalsContact O-N 3.16Å; G538-K596 WeakPolarHBondContact O-CD 3.23Å; G538-K596 PolarHBondContact O-NZ 3.14Å |
| 539 | N | 97.6 | Very high | 97.6 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -94.9 | -5.8 | 179 | -59 | -6.6 | 0 | 0 | 0 | 111.8 | M253 S536 L537 S689 | M253-N539 PolarHBondContact O-ND2 3.4Å; S536-N539 WeakPolarHBondContact O-CA 3.32Å; S536-N539 PolarHBondContact O-N 3.07Å; L537-N539 VanDerWaalsContact C-N 3.27Å; L537-N539 PolarHBondContact O-N 2.71Å; N539-S689 PolarHBondContact ND2-O 3.26Å |
| 540 | L | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -106.4 | 143.1 | -176.9 | -76.4 | 167.6 | 0 | 0 | 0 | 111.9 | E254 L535 S536 L537 V542 Y547 M548 T551 R597 | E254-L540 HydrophobicContact CB-CD2 3.82Å; E254-L540 HydrophobicContact CB-CG 4.35Å; E254-L540 HydrophobicContact CG-CD2 3.85Å; L535-L540 HydrophobicContact CB-CD1 3.84Å; L535-L540 HydrophobicContact CD2-CD1 4.37Å; S536-L540 PolarHBondContact O-N 2.92Å; L537-L540 PolarHBondContact O-N 2.94Å; L540-V542 VanDerWaalsContact C-N 3.26Å; L540-V542 HydrophobicContact CB-CG1 4.15Å; L540-V542 PolarHBondContact O-N 2.86Å; L540-Y547 HydrophobicContact CD2-CD1 4.41Å; L540-Y547 HydrophobicContact CD2-CE1 4.07Å; L540-M548 HydrophobicContact CB-SD 4Å; L540-M548 HydrophobicContact CD1-SD 4.16Å; L540-M548 HydrophobicContact CD2-SD 4.41Å; L540-M548 HydrophobicContact CG-SD 4.44Å; L540-T551 HydrophobicContact CD2-CG2 4.06Å; L540-R597 PolarHBondContact O-NH2 3.39Å |
| 541 | P | 97.5 | Very high | 97.9 | Very high | 52 Ų | 52 | 34 Ų | 34 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | trans | -78.6 | 77.1 | 169.3 | 33.8 | -33.6 | 0 | 0 | 0 | 109.1 | E543 D544 Y547 | P541-E543 PolarHBondContact O-N 2.86Å; P541-D544 HydrophobicContact CB-CB 4.1Å; P541-D544 HydrophobicContact CG-CB 4.24Å; P541-D544 PolarHBondContact O-N 2.95Å; P541-Y547 HydrophobicContact CG-CD1 3.59Å; P541-Y547 HydrophobicContact CG-CE1 4.17Å; P541-Y547 HydrophobicContact CG-CG 3.86Å | ||
| 542 | V | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.6 | -170.6 | -51.4 | 0 | 0 | 0 | 0 | 114.2 | L537 L540 M548 M593 F609 V613 | L537-V542 HydrophobicContact CB-CG1 4.36Å; L537-V542 HydrophobicContact CD2-CG1 4.14Å; L540-V542 VanDerWaalsContact C-N 3.26Å; L540-V542 HydrophobicContact CB-CG1 4.15Å; L540-V542 PolarHBondContact O-N 2.86Å; V542-M548 HydrophobicContact CB-SD 4.43Å; V542-M548 HydrophobicContact CG1-CE 4.48Å; V542-M548 HydrophobicContact CG1-SD 4.31Å; V542-M593 HydrophobicContact CG1-CG 4.39Å; V542-M593 HydrophobicContact CG1-SD 4.17Å; V542-M593 HydrophobicContact CG2-CG 4.28Å; V542-M593 HydrophobicContact CG2-SD 4.08Å; V542-F609 HydrophobicContact CG2-CE1 4.22Å; V542-F609 HydrophobicContact CG2-CE2 4.45Å; V542-F609 HydrophobicContact CG2-CZ 3.55Å; V542-V613 HydrophobicContact CB-CG1 4.24Å; V542-V613 HydrophobicContact CB-CG2 4.15Å; V542-V613 HydrophobicContact CG2-CG1 4.49Å; V542-V613 HydrophobicContact CG2-CG2 3.64Å |
| 543 | E | 96.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 36.4 Ų | 36.4 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18.7 | 174.1 | -55.9 | 93.5 | 147.6 | 0 | 0 | 113.8 | P541 E545 R597 F609 | P541-E543 PolarHBondContact O-N 2.86Å; E543-E545 PolarHBondContact O-N 2.84Å; E543-E545 VanDerWaalsContact O-N 3.12Å; E543-R597 VanDerWaalsContact CD-NE 3.27Å; E543-R597 VanDerWaalsContact OE1-CD 3.28Å; E543-R597 WeakPolarHBondContact OE1-CD 3.5Å; E543-R597 IonicContact OE1-CZ 3.72Å; E543-R597 IonicContact OE1-NE 3.75Å; E543-R597 PolarHBondContact OE1-NE 3.03Å; E543-R597 IonicContact OE1-NH2 2.98Å; E543-R597 IonicContact OE2-CZ 2.98Å; E543-R597 IonicContact OE2-NE 3.7Å; E543-R597 PolarHBondContact OE2-NE 3.47Å; E543-R597 IonicContact OE2-NH2 3.11Å; E543-R597 PolarHBondContact OE2-NH2 3.36Å; E543-F609 HydrophobicContact CG-CE2 4.19Å |
| 544 | D | 98 | Very high | 98.1 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | trans | -80.8 | 91.7 | 171.8 | -176.4 | -23.5 | 0 | 0 | 0 | 108.6 | P541 A546 Y547 M548 | P541-D544 HydrophobicContact CB-CB 4.1Å; P541-D544 HydrophobicContact CG-CB 4.24Å; P541-D544 PolarHBondContact O-N 2.95Å; D544-A546 PolarHBondContact O-N 2.89Å; D544-A546 PolarHBondContact OD1-N 3.42Å; D544-A546 VanDerWaalsContact OD1-N 3.17Å; D544-Y547 VanDerWaalsContact CG-CB 3.41Å; D544-Y547 PolarHBondContact O-N 2.65Å; D544-Y547 PolarHBondContact OD1-N 3.5Å; D544-M548 WeakPolarHBondContact O-CB 3.45Å; D544-M548 WeakPolarHBondContact O-CG 3.15Å; D544-M548 PolarHBondContact O-N 3.43Å | ||
| 545 | E | 95.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 36.4 Ų | 36.4 | 54% | 0.542 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.1 | -41.8 | -176.6 | -73 | -169.3 | -174.7 | 0 | 0 | 112.5 | E543 M548 E549 H616 | E543-E545 PolarHBondContact O-N 2.84Å; E543-E545 VanDerWaalsContact O-N 3.12Å; E545-M548 PolarHBondContact O-N 2.98Å; E545-E549 WeakPolarHBondContact O-CB 3.46Å; E545-E549 WeakPolarHBondContact O-CG 3.48Å; E545-E549 PolarHBondContact O-N 3.31Å; E545-H616 WeakPolarHBondContact CA-NE2 3.36Å; E545-H616 VanDerWaalsContact CB-CE1 3.4Å; E545-H616 WeakPolarHBondContact CB-CE1 3.45Å; E545-H616 PolarHBondContact O-NE2 2.9Å |
| 546 | A | 98.1 | Very high | 98.1 | Very high | 48 Ų | 48 | 36.4 Ų | 36.4 | 40% | 0.397 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.5 | -37.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D544 R550 | D544-A546 PolarHBondContact O-N 2.89Å; D544-A546 PolarHBondContact OD1-N 3.42Å; D544-A546 VanDerWaalsContact OD1-N 3.17Å; A546-R550 WeakPolarHBondContact O-CG 3.47Å; A546-R550 PolarHBondContact O-N 3.45Å; A546-R550 PolarHBondContact O-NH1 2.99Å |
| 547 | Y | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 19% | 0.192 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 173.9 | -163.9 | -83.7 | 0 | 0 | 0 | 111.8 | R252 E254 L540 P541 D544 R550 T551 | R252-Y547 PolarHBondContact NH1-OH 2.86Å; E254-Y547 VanDerWaalsContact CD-OH 3.28Å; E254-Y547 PolarHBondContact OE1-OH 3.27Å; E254-Y547 PolarHBondContact OE2-OH 2.88Å; L540-Y547 HydrophobicContact CD2-CD1 4.41Å; L540-Y547 HydrophobicContact CD2-CE1 4.07Å; P541-Y547 HydrophobicContact CG-CD1 3.59Å; P541-Y547 HydrophobicContact CG-CE1 4.17Å; P541-Y547 HydrophobicContact CG-CG 3.86Å; D544-Y547 VanDerWaalsContact CG-CB 3.41Å; D544-Y547 PolarHBondContact O-N 2.65Å; D544-Y547 PolarHBondContact OD1-N 3.5Å; Y547-R550 PolarHBondContact O-N 2.99Å; Y547-T551 WeakPolarHBondContact CE1-OG1 3.46Å; Y547-T551 WeakPolarHBondContact O-CB 3.45Å; Y547-T551 PolarHBondContact O-N 3.38Å; Y547-T551 PolarHBondContact O-OG1 3.44Å |
| 548 | M | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.6 | -75.4 | -61.2 | -67 | 0 | 0 | 111.6 | L535 L540 V542 D544 E545 R550 T551 V552 H616 I617 | L535-M548 HydrophobicContact CD1-CE 4.27Å; L540-M548 HydrophobicContact CB-SD 4Å; L540-M548 HydrophobicContact CD1-SD 4.16Å; L540-M548 HydrophobicContact CD2-SD 4.41Å; L540-M548 HydrophobicContact CG-SD 4.44Å; V542-M548 HydrophobicContact CB-SD 4.43Å; V542-M548 HydrophobicContact CG1-CE 4.48Å; V542-M548 HydrophobicContact CG1-SD 4.31Å; D544-M548 WeakPolarHBondContact O-CB 3.45Å; D544-M548 WeakPolarHBondContact O-CG 3.15Å; D544-M548 PolarHBondContact O-N 3.43Å; E545-M548 PolarHBondContact O-N 2.98Å; M548-R550 PolarHBondContact O-N 3.37Å; M548-T551 PolarHBondContact O-N 3.46Å; M548-V552 WeakPolarHBondContact O-CB 3.23Å; M548-V552 VanDerWaalsContact O-CG2 3.27Å; M548-V552 WeakPolarHBondContact O-CG2 3.39Å; M548-V552 PolarHBondContact O-N 3.02Å; M548-H616 WeakPolarHBondContact CB-NE2 3.36Å; M548-I617 HydrophobicContact CE-CD1 4.24Å; M548-I617 HydrophobicContact CE-CG1 3.8Å |
| 549 | E | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 176.6 | -80.5 | -166.3 | 178.6 | 0 | 0 | 111.9 | E545 T551 V552 E553 A620 K623 | E545-E549 WeakPolarHBondContact O-CB 3.46Å; E545-E549 WeakPolarHBondContact O-CG 3.48Å; E545-E549 PolarHBondContact O-N 3.31Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 2.9Å; E549-V552 PolarHBondContact O-N 3.24Å; E549-E553 VanDerWaalsContact O-CB 3.28Å; E549-E553 WeakPolarHBondContact O-CB 3.49Å; E549-E553 PolarHBondContact O-N 2.89Å; E549-A620 HydrophobicContact CB-CB 4.41Å; E549-A620 HydrophobicContact CG-CB 3.94Å; E549-K623 IonicContact OE1-NZ 2.66Å; E549-K623 PolarHBondContact OE1-NZ 3.46Å; E549-K623 IonicContact OE2-NZ 2.76Å; E549-K623 PolarHBondContact OE2-NZ 2.81Å |
| 550 | R | 98.7 | Very high | 98.3 | Very high | 124 Ų | 124 | 34.8 Ų | 34.8 | 47% | 0.468 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.5 | -38 | 178.4 | -71.9 | -172.9 | -59 | -89.4 | 0.6 | 112.7 | R245 A546 Y547 M548 T554 | R245-R550 PolarHBondContact NH2-O 2.67Å; A546-R550 WeakPolarHBondContact O-CG 3.47Å; A546-R550 PolarHBondContact O-N 3.45Å; A546-R550 PolarHBondContact O-NH1 2.99Å; Y547-R550 PolarHBondContact O-N 2.99Å; M548-R550 PolarHBondContact O-N 3.37Å; R550-T554 PolarHBondContact O-N 3.01Å; R550-T554 VanDerWaalsContact O-N 3.12Å; R550-T554 PolarHBondContact O-OG1 2.8Å |
| 551 | T | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.4 | -47.3 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | V255 L535 L540 Y547 M548 E549 E553 T554 A555 | V255-T551 HydrophobicContact CG2-CG2 3.71Å; L535-T551 HydrophobicContact CD2-CG2 4.33Å; L540-T551 HydrophobicContact CD2-CG2 4.06Å; Y547-T551 WeakPolarHBondContact CE1-OG1 3.46Å; Y547-T551 WeakPolarHBondContact O-CB 3.45Å; Y547-T551 PolarHBondContact O-N 3.38Å; Y547-T551 PolarHBondContact O-OG1 3.44Å; M548-T551 PolarHBondContact O-N 3.46Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 2.9Å; T551-E553 PolarHBondContact O-N 3.26Å; T551-T554 WeakPolarHBondContact O-CB 3.19Å; T551-T554 PolarHBondContact O-N 3.45Å; T551-A555 PolarHBondContact O-N 2.95Å |
| 552 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.8 | L535 M548 E549 T554 A555 I556 L585 A620 A621 | L535-V552 HydrophobicContact CD1-CG2 3.92Å; M548-V552 WeakPolarHBondContact O-CB 3.23Å; M548-V552 VanDerWaalsContact O-CG2 3.27Å; M548-V552 WeakPolarHBondContact O-CG2 3.39Å; M548-V552 PolarHBondContact O-N 3.02Å; E549-V552 PolarHBondContact O-N 3.24Å; V552-T554 VanDerWaalsContact C-N 3.29Å; V552-T554 PolarHBondContact O-N 3.44Å; V552-A555 PolarHBondContact O-N 2.9Å; V552-A555 VanDerWaalsContact O-N 3.13Å; V552-I556 HydrophobicContact CG1-CG1 4.01Å; V552-I556 WeakPolarHBondContact O-CB 3.49Å; V552-I556 VanDerWaalsContact O-CG1 3.26Å; V552-I556 WeakPolarHBondContact O-CG1 3.17Å; V552-I556 PolarHBondContact O-N 3.29Å; V552-L585 HydrophobicContact CG1-CD2 3.94Å; V552-L585 HydrophobicContact CG2-CD2 4.45Å; V552-A620 HydrophobicContact CB-CB 3.79Å; V552-A620 HydrophobicContact CG1-CB 3.75Å; V552-A620 HydrophobicContact CG2-CB 4.12Å; V552-A621 HydrophobicContact CG1-CB 3.91Å |
| 553 | E | 98.7 | Very high | 98.2 | Very high | 70 Ų | 70 | 32.1 Ų | 32.1 | 33% | 0.327 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -56.4 | -44.6 | 175.5 | -176.6 | -147.7 | 154.1 | 0 | 0 | 112 | R245 E549 T551 R557 A624 | R245-E553 IonicContact CZ-OE1 3.98Å; R245-E553 IonicContact CZ-OE2 3.05Å; R245-E553 IonicContact NH1-OE1 3.69Å; R245-E553 PolarHBondContact NH1-OE1 2.86Å; R245-E553 IonicContact NH1-OE2 2.66Å; R245-E553 VanDerWaalsContact NH2-CD 3.27Å; R245-E553 IonicContact NH2-OE1 2.67Å; R245-E553 IonicContact NH2-OE2 2.81Å; R245-E553 PolarHBondContact NH2-OE2 2.92Å; E549-E553 VanDerWaalsContact O-CB 3.28Å; E549-E553 WeakPolarHBondContact O-CB 3.49Å; E549-E553 PolarHBondContact O-N 2.89Å; T551-E553 PolarHBondContact O-N 3.26Å; E553-R557 PolarHBondContact O-N 2.96Å; E553-R557 VanDerWaalsContact O-N 3.09Å; E553-A624 HydrophobicContact CB-CB 3.92Å; E553-A624 HydrophobicContact CG-CB 4Å |
| 554 | T | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.4 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | R245 F246 M249 R550 T551 V552 R557 A558 | R245-T554 HydrophobicContact CB-CG2 3.78Å; R245-T554 VanDerWaalsContact CZ-OG1 3.27Å; R245-T554 PolarHBondContact NE-OG1 2.97Å; R245-T554 PolarHBondContact NH2-OG1 2.87Å; F246-T554 HydrophobicContact CD1-CG2 3.58Å; F246-T554 HydrophobicContact CE1-CG2 3.86Å; F246-T554 WeakPolarHBondContact CE1-O 3.47Å; M249-T554 HydrophobicContact CE-CG2 4.23Å; M249-T554 HydrophobicContact CG-CG2 4.32Å; M249-T554 HydrophobicContact SD-CG2 3.47Å; M249-T554 WeakPolarHBondContact SD-CG2 3.5Å; R550-T554 PolarHBondContact O-N 3.01Å; R550-T554 VanDerWaalsContact O-N 3.12Å; R550-T554 PolarHBondContact O-OG1 2.8Å; T551-T554 WeakPolarHBondContact O-CB 3.19Å; T551-T554 PolarHBondContact O-N 3.45Å; V552-T554 VanDerWaalsContact C-N 3.29Å; V552-T554 PolarHBondContact O-N 3.44Å; T554-R557 PolarHBondContact O-N 2.91Å; T554-A558 WeakPolarHBondContact O-CB 3.5Å; T554-A558 PolarHBondContact O-N 2.65Å |
| 555 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M249 V255 T551 V552 A558 L559 L585 | M249-A555 HydrophobicContact SD-CB 4.47Å; V255-A555 HydrophobicContact CG1-CB 4.24Å; V255-A555 HydrophobicContact CG2-CB 4.47Å; T551-A555 PolarHBondContact O-N 2.95Å; V552-A555 PolarHBondContact O-N 2.9Å; V552-A555 VanDerWaalsContact O-N 3.13Å; A555-A558 PolarHBondContact O-N 2.62Å; A555-L559 WeakPolarHBondContact O-CB 2.98Å; A555-L559 WeakPolarHBondContact O-CG 3.47Å; A555-L559 PolarHBondContact O-N 2.77Å; A555-L585 HydrophobicContact CB-CD1 3.92Å; A555-L585 HydrophobicContact CB-CD2 4.28Å |
| 556 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.2 | -67.2 | -67.4 | 0 | 0 | 0 | 110.6 | V552 L559 D560 I583 L585 A621 A624 D625 L628 | V552-I556 HydrophobicContact CG1-CG1 4.01Å; V552-I556 WeakPolarHBondContact O-CB 3.49Å; V552-I556 VanDerWaalsContact O-CG1 3.26Å; V552-I556 WeakPolarHBondContact O-CG1 3.17Å; V552-I556 PolarHBondContact O-N 3.29Å; I556-L559 PolarHBondContact O-N 2.86Å; I556-D560 PolarHBondContact O-N 2.96Å; I556-I583 HydrophobicContact CD1-CD1 3.66Å; I556-I583 HydrophobicContact CG2-CD1 4Å; I556-L585 HydrophobicContact CD1-CB 4.2Å; I556-L585 HydrophobicContact CD1-CD2 4.02Å; I556-L585 HydrophobicContact CG1-CD2 4.31Å; I556-A621 HydrophobicContact CD1-CB 4.01Å; I556-A621 HydrophobicContact CG1-CB 4.29Å; I556-A624 HydrophobicContact CB-CB 4.27Å; I556-A624 HydrophobicContact CG1-CB 4.43Å; I556-A624 HydrophobicContact CG2-CB 4.35Å; I556-D625 HydrophobicContact CG2-CB 4.22Å; I556-L628 HydrophobicContact CG2-CD1 3.79Å |
| 557 | R | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 174.7 | -176.9 | 177.8 | -74.4 | -104.1 | -2.5 | 112.1 | E235 W242 F246 E553 T554 L559 D560 N561 L628 E631 K632 | E235-R557 WeakPolarHBondContact OE1-CD 3.34Å; E235-R557 IonicContact OE1-NH1 2.86Å; E235-R557 PolarHBondContact OE1-NH1 2.92Å; E235-R557 IonicContact OE2-CZ 3.82Å; E235-R557 IonicContact OE2-NH1 3.9Å; E235-R557 PolarHBondContact OE2-NH1 3.34Å; W242-R557 VanDerWaalsContact CZ2-CZ 3.48Å; W242-R557 HydrophobicContact CZ3-CB 4.46Å; F246-R557 HydrophobicContact CZ-CB 4.47Å; F246-R557 HydrophobicContact CZ-CG 4.1Å; E553-R557 PolarHBondContact O-N 2.96Å; E553-R557 VanDerWaalsContact O-N 3.09Å; T554-R557 PolarHBondContact O-N 2.91Å; R557-L559 VanDerWaalsContact C-N 3.28Å; R557-L559 PolarHBondContact O-N 3.12Å; R557-D560 PolarHBondContact O-N 3.15Å; R557-N561 VanDerWaalsContact O-CG 3.24Å; R557-N561 PolarHBondContact O-N 3.47Å; R557-N561 PolarHBondContact O-OD1 3.3Å; R557-L628 HydrophobicContact CB-CD1 4.32Å; R557-L628 HydrophobicContact CB-CD2 4.33Å; R557-L628 HydrophobicContact CG-CD2 4.14Å; R557-L628 VanDerWaalsContact CZ-CD2 3.45Å; R557-L628 VanDerWaalsContact NH2-CD2 3.27Å; R557-E631 IonicContact CZ-OE1 3.8Å; R557-E631 IonicContact CZ-OE2 2.65Å; R557-E631 IonicContact NH1-OE1 2.65Å; R557-E631 PolarHBondContact NH1-OE1 3.19Å; R557-E631 IonicContact NH1-OE2 3.21Å; R557-E631 IonicContact NH2-OE1 3.84Å; R557-E631 PolarHBondContact NH2-OE1 3.47Å; R557-E631 IonicContact NH2-OE2 3.69Å; R557-E631 PolarHBondContact NH2-OE2 3.08Å; R557-K632 VanDerWaalsContact NH1-CE 3.29Å |
| 558 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L231 F246 M249 M257 T554 A555 N561 V562 | L231-A558 HydrophobicContact CD1-CB 4.23Å; F246-A558 HydrophobicContact CD1-CB 3.94Å; F246-A558 HydrophobicContact CE1-CB 3.68Å; F246-A558 HydrophobicContact CZ-CB 4.21Å; M249-A558 HydrophobicContact CE-CB 3.81Å; M257-A558 HydrophobicContact CE-CB 4.27Å; M257-A558 HydrophobicContact SD-CB 4.43Å; T554-A558 WeakPolarHBondContact O-CB 3.5Å; T554-A558 PolarHBondContact O-N 2.65Å; A555-A558 PolarHBondContact O-N 2.62Å; A558-N561 PolarHBondContact O-N 3.42Å; A558-V562 WeakPolarHBondContact O-CG2 3.39Å; A558-V562 PolarHBondContact O-N 2.81Å; A558-V562 VanDerWaalsContact O-N 3.08Å |
| 559 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.4 | -73.5 | 173.2 | 0 | 0 | 0 | 113.1 | M257 A533 A555 I556 R557 N561 V562 I583 L585 | M257-L559 HydrophobicContact CE-CD2 4.02Å; A533-L559 HydrophobicContact CB-CD1 4.04Å; A533-L559 HydrophobicContact CB-CD2 3.77Å; A533-L559 HydrophobicContact CB-CG 4.03Å; A555-L559 WeakPolarHBondContact O-CB 2.98Å; A555-L559 WeakPolarHBondContact O-CG 3.47Å; A555-L559 PolarHBondContact O-N 2.77Å; I556-L559 PolarHBondContact O-N 2.86Å; R557-L559 VanDerWaalsContact C-N 3.28Å; R557-L559 PolarHBondContact O-N 3.12Å; L559-N561 VanDerWaalsContact C-N 3.28Å; L559-N561 PolarHBondContact O-N 2.96Å; L559-V562 WeakPolarHBondContact O-CB 3.39Å; L559-V562 PolarHBondContact O-N 3.32Å; L559-I583 HydrophobicContact CB-CB 3.89Å; L559-I583 HydrophobicContact CB-CD1 4.03Å; L559-I583 HydrophobicContact CB-CG2 3.76Å; L559-I583 HydrophobicContact CD1-CB 4.26Å; L559-I583 HydrophobicContact CD1-CD1 4.32Å; L559-L585 HydrophobicContact CD1-CB 3.9Å; L559-L585 HydrophobicContact CD1-CD1 4.33Å |
| 560 | D | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 173 | 178 | 59.9 | 0 | 0 | 0 | 110.8 | I556 R557 V562 I563 R581 L628 K632 R672 N673 | I556-D560 PolarHBondContact O-N 2.96Å; R557-D560 PolarHBondContact O-N 3.15Å; D560-V562 VanDerWaalsContact C-N 3.34Å; D560-V562 PolarHBondContact O-N 2.91Å; D560-I563 WeakPolarHBondContact O-CB 3.2Å; D560-I563 PolarHBondContact O-N 2.98Å; D560-R581 PolarHBondContact O-NH2 3.33Å; D560-R581 IonicContact OD1-CZ 3.54Å; D560-R581 IonicContact OD1-NE 2.97Å; D560-R581 PolarHBondContact OD1-NE 3.15Å; D560-R581 IonicContact OD1-NH2 3.74Å; D560-R581 PolarHBondContact OD1-NH2 3.12Å; D560-R581 IonicContact OD2-NH2 3.05Å; D560-L628 HydrophobicContact CB-CD1 4.21Å; D560-K632 IonicContact OD2-NZ 3.21Å; D560-R672 VanDerWaalsContact OD1-CG 3.26Å; D560-R672 WeakPolarHBondContact OD1-CG 3.44Å; D560-R672 IonicContact OD1-CZ 2.7Å; D560-R672 IonicContact OD1-NE 3.51Å; D560-R672 PolarHBondContact OD1-NE 2.99Å; D560-R672 IonicContact OD2-NE 3.69Å; D560-R672 PolarHBondContact OD2-NE 3.4Å; D560-N673 PolarHBondContact OD1-OD1 2.99Å |
| 561 | N | 98 | Very high | 95.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.5 | -34.4 | 179.2 | -68.9 | -5 | 0 | 0 | 0 | 112.5 | L231 E235 R557 A558 L559 I563 D564 L565 K632 | L231-N561 WeakPolarHBondContact O-CB 3.3Å; L231-N561 PolarHBondContact O-ND2 3.5Å; E235-N561 PolarHBondContact OE1-ND2 2.87Å; E235-N561 PolarHBondContact OE1-OD1 3.37Å; R557-N561 VanDerWaalsContact O-CG 3.24Å; R557-N561 PolarHBondContact O-N 3.47Å; R557-N561 PolarHBondContact O-OD1 3.3Å; A558-N561 PolarHBondContact O-N 3.42Å; L559-N561 VanDerWaalsContact C-N 3.28Å; L559-N561 PolarHBondContact O-N 2.96Å; N561-I563 PolarHBondContact O-N 3.48Å; N561-D564 PolarHBondContact O-N 3.32Å; N561-D564 VanDerWaalsContact O-N 3.14Å; N561-L565 HydrophobicContact CB-CD1 4.08Å; N561-L565 WeakPolarHBondContact O-CB 3.4Å; N561-L565 WeakPolarHBondContact O-CD1 3.42Å; N561-L565 WeakPolarHBondContact O-CG 3.44Å; N561-L565 PolarHBondContact O-N 3.12Å; N561-K632 PolarHBondContact OD1-NZ 3.4Å |
| 562 | V | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.2 | -37.5 | 174.5 | 166.6 | 0 | 0 | 0 | 0 | 111 | L231 M257 T261 L272 N531 A558 L559 D560 D564 L565 N566 | L231-V562 HydrophobicContact CD2-CG2 3.59Å; M257-V562 HydrophobicContact CE-CG2 3.96Å; T261-V562 HydrophobicContact CG2-CG2 4.28Å; L272-V562 HydrophobicContact CB-CG1 3.84Å; L272-V562 HydrophobicContact CD1-CG1 4.36Å; L272-V562 HydrophobicContact CD1-CG2 4.45Å; N531-V562 HydrophobicContact CB-CG1 4.24Å; A558-V562 WeakPolarHBondContact O-CG2 3.39Å; A558-V562 PolarHBondContact O-N 2.81Å; A558-V562 VanDerWaalsContact O-N 3.08Å; L559-V562 WeakPolarHBondContact O-CB 3.39Å; L559-V562 PolarHBondContact O-N 3.32Å; D560-V562 VanDerWaalsContact C-N 3.34Å; D560-V562 PolarHBondContact O-N 2.91Å; V562-D564 VanDerWaalsContact C-N 3.33Å; V562-D564 PolarHBondContact O-N 3.49Å; V562-L565 PolarHBondContact O-N 3.26Å; V562-N566 WeakPolarHBondContact O-CB 3.27Å; V562-N566 PolarHBondContact O-N 3.4Å |
| 563 | I | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | -179.5 | -63.9 | 162 | 0 | 0 | 0 | 111.5 | D560 N561 Y568 R581 I583 N673 | D560-I563 WeakPolarHBondContact O-CB 3.2Å; D560-I563 PolarHBondContact O-N 2.98Å; N561-I563 PolarHBondContact O-N 3.48Å; I563-Y568 PolarHBondContact O-OH 3.15Å; I563-R581 HydrophobicContact CD1-CB 3.81Å; I563-I583 HydrophobicContact CD1-CG2 3.66Å; I563-I583 HydrophobicContact CG1-CG2 4.41Å; I563-N673 WeakPolarHBondContact CD1-OD1 3.49Å |
| 564 | D | 95.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 22.4 Ų | 22.4 | 37% | 0.374 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -81.1 | -25.3 | -176.2 | -61.9 | -39.1 | 0 | 0 | 0 | 112.6 | N561 V562 R581 R672 | N561-D564 PolarHBondContact O-N 3.32Å; N561-D564 VanDerWaalsContact O-N 3.14Å; V562-D564 VanDerWaalsContact C-N 3.33Å; V562-D564 PolarHBondContact O-N 3.49Å; D564-R581 VanDerWaalsContact CG-NH2 3.32Å; D564-R581 IonicContact OD1-CZ 2.69Å; D564-R581 IonicContact OD1-NH1 3.8Å; D564-R581 PolarHBondContact OD1-NH1 3.16Å; D564-R581 IonicContact OD1-NH2 3.39Å; D564-R581 PolarHBondContact OD1-NH2 3.04Å; D564-R581 IonicContact OD2-CZ 3.42Å; D564-R581 IonicContact OD2-NH1 2.75Å; D564-R581 IonicContact OD2-NH2 3.87Å; D564-R581 PolarHBondContact OD2-NH2 2.95Å; D564-R672 IonicContact OD2-NH2 2.66Å |
| 565 | L | 95.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -91.7 | -13.4 | -177.7 | -65.2 | 171.4 | 0 | 0 | 0 | 113.9 | H230 M233 N234 H270 L272 N561 V562 | H230-L565 WeakPolarHBondContact O-CD1 3.27Å; M233-L565 HydrophobicContact CB-CD2 4.26Å; M233-L565 HydrophobicContact CE-CD2 3.45Å; M233-L565 VanDerWaalsContact CE-CD2 3.45Å; N234-L565 WeakPolarHBondContact ND2-CD2 3.48Å; H270-L565 PolarHBondContact CD2-O 3.34Å; H270-L565 VanDerWaalsContact CD2-O 3.22Å; L272-L565 HydrophobicContact CD1-CB 4.07Å; N561-L565 HydrophobicContact CB-CD1 4.08Å; N561-L565 WeakPolarHBondContact O-CB 3.4Å; N561-L565 WeakPolarHBondContact O-CD1 3.42Å; N561-L565 WeakPolarHBondContact O-CG 3.44Å; N561-L565 PolarHBondContact O-N 3.12Å; V562-L565 PolarHBondContact O-N 3.26Å |
| 566 | N | 93.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 137.7 | -171 | -177.6 | 45 | 0 | 0 | 0 | 113.2 | L272 S273 V562 Y568 | L272-N566 HydrophobicContact CB-CB 4.43Å; L272-N566 PolarHBondContact N-OD1 3.03Å; S273-N566 PolarHBondContact N-OD1 3.49Å; S273-N566 PolarHBondContact OG-ND2 3.34Å; V562-N566 WeakPolarHBondContact O-CB 3.27Å; V562-N566 PolarHBondContact O-N 3.4Å; N566-Y568 HydrophobicContact CB-CD2 4.48Å; N566-Y568 HydrophobicContact CB-CE2 3.85Å; N566-Y568 WeakPolarHBondContact ND2-CD1 3.29Å; N566-Y568 WeakPolarHBondContact ND2-CE1 3.44Å; N566-Y568 WeakPolarHBondContact O-CD2 3.41Å; N566-Y568 WeakPolarHBondContact O-CE2 3.06Å |
| 567 | F | 89.4 | Confident | 94.3 | Very high | 85 Ų | 85 | 25.1 Ų | 25.1 | 37% | 0.373 | 12% | 0.118 | S | C | . | . | P | Polyproline II helix | trans | -79.6 | 123.8 | 161.8 | 175.6 | -96.8 | 0 | 0 | 0 | 110.5 | H270 Q271 F300 | H270-F567 PolarHBondContact O-N 3.15Å; Q271-F567 HydrophobicContact CB-CD1 4.32Å; Q271-F567 WeakPolarHBondContact CG-O 3.45Å; F300-F567 HydrophobicContact CE1-CE1 4.21Å; F300-F567 HydrophobicContact CZ-CE1 4.21Å |
| 568 | Y | 88.8 | Confident | 94.2 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 124.5 | -179.5 | -63.8 | -93.5 | 0 | 0 | 0 | 111.4 | V529 I563 N566 L570 A573 R574 N577 | V529-Y568 HydrophobicContact CG1-CE1 4.47Å; V529-Y568 HydrophobicContact CG2-CE1 4.45Å; I563-Y568 PolarHBondContact O-OH 3.15Å; N566-Y568 HydrophobicContact CB-CD2 4.48Å; N566-Y568 HydrophobicContact CB-CE2 3.85Å; N566-Y568 WeakPolarHBondContact ND2-CD1 3.29Å; N566-Y568 WeakPolarHBondContact ND2-CE1 3.44Å; N566-Y568 WeakPolarHBondContact O-CD2 3.41Å; N566-Y568 WeakPolarHBondContact O-CE2 3.06Å; Y568-L570 PolarHBondContact O-N 2.89Å; Y568-A573 HydrophobicContact CD1-CB 4.17Å; Y568-R574 HydrophobicContact CD1-CB 4.09Å; Y568-R574 HydrophobicContact CD2-CB 3.78Å; Y568-R574 HydrophobicContact CD2-CG 3.59Å; Y568-R574 HydrophobicContact CE2-CB 4.32Å; Y568-R574 HydrophobicContact CE2-CG 3.86Å; Y568-R574 HydrophobicContact CG-CB 3.65Å; Y568-R574 HydrophobicContact CG-CG 4.03Å; Y568-N577 HydrophobicContact CE1-CB 3.85Å; Y568-N577 PolarHBondContact OH-ND2 2.94Å |
| 569 | P | 85.2 | Confident | 94 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 14% | 0.143 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -61.1 | -26.1 | 172.2 | -28.5 | 37.7 | 0 | 0 | 0 | 114.6 | Q271 F300 | Q271-P569 HydrophobicContact CG-CG 4.25Å; F300-P569 HydrophobicContact CB-CG 4.02Å; F300-P569 HydrophobicContact CD2-CB 3.56Å; F300-P569 HydrophobicContact CD2-CG 3.62Å; F300-P569 HydrophobicContact CE2-CB 3.95Å; F300-P569 HydrophobicContact CE2-CG 4.36Å; F300-P569 HydrophobicContact CG-CB 4.47Å; F300-P569 HydrophobicContact CG-CG 4.05Å |
| 570 | L | 90.4 | Very high | 94 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -134.4 | 135.1 | -174.2 | -67.4 | 173.4 | 0 | 0 | 0 | 109.8 | N293 K296 V297 F527 Y568 Y572 A573 R574 | N293-L570 HydrophobicContact CB-CD1 3.64Å; K296-L570 HydrophobicContact CB-CD2 3.95Å; K296-L570 HydrophobicContact CB-CG 4.38Å; K296-L570 HydrophobicContact CD-CD2 3.47Å; K296-L570 VanDerWaalsContact CD-CD2 3.47Å; K296-L570 HydrophobicContact CG-CD2 4.36Å; V297-L570 HydrophobicContact CG2-CD1 3.74Å; V297-L570 HydrophobicContact CG2-CG 4.47Å; F527-L570 HydrophobicContact CE1-CD1 3.81Å; F527-L570 HydrophobicContact CE2-CD1 4.1Å; F527-L570 HydrophobicContact CZ-CD1 3.5Å; Y568-L570 PolarHBondContact O-N 2.89Å; L570-Y572 VanDerWaalsContact C-N 3.3Å; L570-Y572 PolarHBondContact O-N 2.96Å; L570-A573 HydrophobicContact CB-CB 4.19Å; L570-A573 WeakPolarHBondContact O-CB 3.27Å; L570-A573 PolarHBondContact O-N 3.15Å; L570-R574 PolarHBondContact O-N 2.94Å |
| 571 | E | 91.6 | Very high | 94 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 47% | 0.472 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67 | -33.1 | 178.9 | -169 | 66.2 | 174.5 | 0 | 0 | 112.4 | A573 R574 L575 | E571-A573 VanDerWaalsContact C-N 3.29Å; E571-A573 PolarHBondContact O-N 2.67Å; E571-R574 WeakPolarHBondContact O-CB 3.32Å; E571-R574 PolarHBondContact O-N 3.46Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E571-R574 IonicContact OE1-CZ 2.7Å; E571-R574 IonicContact OE1-NE 2.81Å; E571-R574 PolarHBondContact OE1-NE 2.76Å; E571-R574 IonicContact OE1-NH2 3.25Å; E571-R574 PolarHBondContact OE1-NH2 2.96Å; E571-R574 IonicContact OE2-CZ 3.78Å; E571-R574 IonicContact OE2-NE 3.71Å; E571-R574 PolarHBondContact OE2-NE 3.27Å; E571-L575 HydrophobicContact CG-CD1 4.49Å; E571-L575 WeakPolarHBondContact O-CG 3.44Å; E571-L575 PolarHBondContact O-N 2.89Å |
| 572 | Y | 91.9 | Very high | 94 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 15% | 0.153 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 173.6 | -50.6 | -58.2 | 0 | 0 | 0 | 111.8 | I502 T522 P524 L570 R574 L575 T576 | I502-Y572 HydrophobicContact CD1-CD1 4.49Å; I502-Y572 HydrophobicContact CD1-CD2 3.77Å; I502-Y572 HydrophobicContact CD1-CE2 3.86Å; I502-Y572 HydrophobicContact CD1-CG 4.11Å; T522-Y572 PolarHBondContact OG1-OH 3.43Å; P524-Y572 HydrophobicContact CB-CD1 3.95Å; L570-Y572 VanDerWaalsContact C-N 3.3Å; L570-Y572 PolarHBondContact O-N 2.96Å; Y572-R574 PolarHBondContact O-N 3.43Å; Y572-L575 PolarHBondContact O-N 3.49Å; Y572-T576 PolarHBondContact O-N 2.98Å; Y572-T576 PolarHBondContact O-OG1 2.58Å |
| 573 | A | 92.8 | Very high | 94 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F276 F527 V529 Y568 L570 E571 N577 | F276-A573 HydrophobicContact CD1-CB 4.07Å; F276-A573 HydrophobicContact CE1-CB 3.92Å; F527-A573 HydrophobicContact CD1-CB 3.72Å; F527-A573 HydrophobicContact CE1-CB 4.21Å; V529-A573 HydrophobicContact CG2-CB 3.69Å; V529-A573 WeakPolarHBondContact CG2-O 2.69Å; Y568-A573 HydrophobicContact CD1-CB 4.17Å; L570-A573 HydrophobicContact CB-CB 4.19Å; L570-A573 WeakPolarHBondContact O-CB 3.27Å; L570-A573 PolarHBondContact O-N 3.15Å; E571-A573 VanDerWaalsContact C-N 3.29Å; E571-A573 PolarHBondContact O-N 2.67Å; A573-N577 VanDerWaalsContact O-CB 3.24Å; A573-N577 WeakPolarHBondContact O-CB 3.38Å; A573-N577 PolarHBondContact O-N 3.15Å |
| 574 | R | 94.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 175.8 | -169.3 | -177.6 | 73.6 | 72.3 | 2.3 | 111.4 | Y568 L570 E571 Y572 N577 Q578 | Y568-R574 HydrophobicContact CD1-CB 4.09Å; Y568-R574 HydrophobicContact CD2-CB 3.78Å; Y568-R574 HydrophobicContact CD2-CG 3.59Å; Y568-R574 HydrophobicContact CE2-CB 4.32Å; Y568-R574 HydrophobicContact CE2-CG 3.86Å; Y568-R574 HydrophobicContact CG-CB 3.65Å; Y568-R574 HydrophobicContact CG-CG 4.03Å; L570-R574 PolarHBondContact O-N 2.94Å; E571-R574 WeakPolarHBondContact O-CB 3.32Å; E571-R574 PolarHBondContact O-N 3.46Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E571-R574 IonicContact OE1-CZ 2.7Å; E571-R574 IonicContact OE1-NE 2.81Å; E571-R574 PolarHBondContact OE1-NE 2.76Å; E571-R574 IonicContact OE1-NH2 3.25Å; E571-R574 PolarHBondContact OE1-NH2 2.96Å; E571-R574 IonicContact OE2-CZ 3.78Å; E571-R574 IonicContact OE2-NE 3.71Å; E571-R574 PolarHBondContact OE2-NE 3.27Å; Y572-R574 PolarHBondContact O-N 3.43Å; R574-N577 PolarHBondContact O-N 2.99Å; R574-Q578 WeakPolarHBondContact O-CB 3.46Å; R574-Q578 VanDerWaalsContact O-CG 3.3Å; R574-Q578 WeakPolarHBondContact O-CG 3.38Å; R574-Q578 PolarHBondContact O-N 3.5Å |
| 575 | L | 95.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 33% | 0.33 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.6 | -47.4 | -178.7 | -69.2 | 171.7 | 0 | 0 | 0 | 112.2 | P524 E571 Y572 Q578 K579 | P524-L575 HydrophobicContact CB-CD1 4.06Å; P524-L575 HydrophobicContact CG-CD1 4.14Å; E571-L575 HydrophobicContact CG-CD1 4.49Å; E571-L575 WeakPolarHBondContact O-CG 3.44Å; E571-L575 PolarHBondContact O-N 2.89Å; Y572-L575 PolarHBondContact O-N 3.49Å; L575-Q578 PolarHBondContact O-N 3.07Å; L575-K579 WeakPolarHBondContact O-CB 3.27Å; L575-K579 PolarHBondContact O-N 2.82Å |
| 576 | T | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | E526 F527 Y572 Q578 K579 Y580 | E526-T576 WeakPolarHBondContact CA-OG1 3.1Å; E526-T576 HydrophobicContact CB-CG2 4.27Å; E526-T576 WeakPolarHBondContact OE2-CG2 3.34Å; E526-T576 PolarHBondContact OE2-OG1 3.2Å; F527-T576 PolarHBondContact N-OG1 2.7Å; F527-T576 VanDerWaalsContact O-CB 3.31Å; F527-T576 WeakPolarHBondContact O-CB 3.49Å; F527-T576 WeakPolarHBondContact O-CG2 3.33Å; Y572-T576 PolarHBondContact O-N 2.98Å; Y572-T576 PolarHBondContact O-OG1 2.58Å; T576-Q578 VanDerWaalsContact C-N 3.32Å; T576-Q578 PolarHBondContact O-N 2.99Å; T576-K579 PolarHBondContact O-N 3.16Å; T576-Y580 HydrophobicContact CG2-CD2 4.05Å; T576-Y580 HydrophobicContact CG2-CE2 4.49Å; T576-Y580 PolarHBondContact O-N 3.28Å |
| 577 | N | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.3 | -32 | 180 | -154.5 | 32.5 | 0 | 0 | 0 | 112.4 | V529 N531 Y568 A573 R574 R581 | V529-N577 HydrophobicContact CB-CB 4.23Å; V529-N577 HydrophobicContact CG2-CB 4.04Å; N531-N577 PolarHBondContact ND2-ND2 2.85Å; N531-N577 PolarHBondContact ND2-OD1 2.97Å; Y568-N577 HydrophobicContact CE1-CB 3.85Å; Y568-N577 PolarHBondContact OH-ND2 2.94Å; A573-N577 VanDerWaalsContact O-CB 3.24Å; A573-N577 WeakPolarHBondContact O-CB 3.38Å; A573-N577 PolarHBondContact O-N 3.15Å; R574-N577 PolarHBondContact O-N 2.99Å; N577-R581 WeakPolarHBondContact O-CA 3.47Å; N577-R581 PolarHBondContact O-N 3.15Å |
| 578 | Q | 95 | Very high | 95.1 | Very high | 87 Ų | 87 | 24.4 Ų | 24.4 | 41% | 0.407 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -71.6 | -33.5 | 172.7 | -75.5 | -177.6 | -19.3 | 0 | 0 | 113.1 | R574 L575 T576 R581 | R574-Q578 WeakPolarHBondContact O-CB 3.46Å; R574-Q578 VanDerWaalsContact O-CG 3.3Å; R574-Q578 WeakPolarHBondContact O-CG 3.38Å; R574-Q578 PolarHBondContact O-N 3.5Å; L575-Q578 PolarHBondContact O-N 3.07Å; T576-Q578 VanDerWaalsContact C-N 3.32Å; T576-Q578 PolarHBondContact O-N 2.99Å; Q578-R581 WeakPolarHBondContact O-CG 3.25Å |
| 579 | K | 95.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 23.2 Ų | 23.2 | 28% | 0.283 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -71.8 | -48.9 | -178 | -171.3 | -172.8 | -54.1 | 170.8 | 0 | 112.5 | E526 L575 T576 A636 L637 | E526-K579 VanDerWaalsContact CD-NZ 3.32Å; E526-K579 IonicContact OE1-NZ 2.81Å; E526-K579 PolarHBondContact OE1-NZ 3.25Å; E526-K579 IonicContact OE2-NZ 3.21Å; E526-K579 PolarHBondContact OE2-NZ 2.89Å; L575-K579 WeakPolarHBondContact O-CB 3.27Å; L575-K579 PolarHBondContact O-N 2.82Å; T576-K579 PolarHBondContact O-N 3.16Å; K579-A636 PolarHBondContact O-N 3.44Å; K579-L637 HydrophobicContact CD-CD1 3.72Å; K579-L637 HydrophobicContact CD-CG 4.28Å; K579-L637 HydrophobicContact CG-CD1 3.79Å; K579-L637 HydrophobicContact CG-CG 3.96Å |
| 580 | Y | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -92.4 | -27.7 | -179.6 | -72.8 | -84 | 0 | 0 | 0 | 113.2 | N480 N498 E526 T576 S582 L637 A674 Y675 | N480-Y580 HydrophobicContact CB-CE1 4.27Å; N498-Y580 HydrophobicContact CB-CE1 4.2Å; N498-Y580 WeakPolarHBondContact CB-OH 3.07Å; N498-Y580 PolarHBondContact ND2-OH 2.89Å; E526-Y580 HydrophobicContact CG-CE2 4.27Å; T576-Y580 HydrophobicContact CG2-CD2 4.05Å; T576-Y580 HydrophobicContact CG2-CE2 4.49Å; T576-Y580 PolarHBondContact O-N 3.28Å; Y580-S582 VanDerWaalsContact C-N 3.34Å; Y580-S582 WeakPolarHBondContact CB-OG 3.4Å; Y580-S582 PolarHBondContact O-N 3.01Å; Y580-L637 HydrophobicContact CD1-CD1 4.11Å; Y580-L637 HydrophobicContact CD2-CD1 4.46Å; Y580-L637 HydrophobicContact CE1-CD1 3.52Å; Y580-L637 HydrophobicContact CE2-CD1 3.91Å; Y580-A674 HydrophobicContact CD1-CB 3.87Å; Y580-A674 HydrophobicContact CG-CB 4.44Å; Y580-A674 WeakPolarHBondContact O-CB 3.38Å; Y580-A674 PolarHBondContact O-N 3.29Å; Y580-Y675 AromaticContact CD1-CE2 3.84Å; Y580-Y675 HydrophobicContact CD1-CE2 3.84Å; Y580-Y675 HydrophobicContact CE1-CE2 4.43Å; Y580-Y675 HydrophobicContact CG-CE2 4.38Å |
| 581 | R | 98 | Very high | 96.5 | Very high | 15 Ų | 15 | 21.8 Ų | 21.8 | 6% | 0.057 | 10% | 0.098 | C | C | . | . | trans | 51.1 | 55 | -172 | -57.9 | -166.6 | 66.1 | 86.9 | -2.4 | 111.2 | D560 I563 D564 N577 Q578 R672 N673 | D560-R581 PolarHBondContact O-NH2 3.33Å; D560-R581 IonicContact OD1-CZ 3.54Å; D560-R581 IonicContact OD1-NE 2.97Å; D560-R581 PolarHBondContact OD1-NE 3.15Å; D560-R581 IonicContact OD1-NH2 3.74Å; D560-R581 PolarHBondContact OD1-NH2 3.12Å; D560-R581 IonicContact OD2-NH2 3.05Å; I563-R581 HydrophobicContact CD1-CB 3.81Å; D564-R581 VanDerWaalsContact CG-NH2 3.32Å; D564-R581 IonicContact OD1-CZ 2.69Å; D564-R581 IonicContact OD1-NH1 3.8Å; D564-R581 PolarHBondContact OD1-NH1 3.16Å; D564-R581 IonicContact OD1-NH2 3.39Å; D564-R581 PolarHBondContact OD1-NH2 3.04Å; D564-R581 IonicContact OD2-CZ 3.42Å; D564-R581 IonicContact OD2-NH1 2.75Å; D564-R581 IonicContact OD2-NH2 3.87Å; D564-R581 PolarHBondContact OD2-NH2 2.95Å; N577-R581 WeakPolarHBondContact O-CA 3.47Å; N577-R581 PolarHBondContact O-N 3.15Å; Q578-R581 WeakPolarHBondContact O-CG 3.25Å; R581-R672 VanDerWaalsContact CZ-CZ 3.46Å; R581-R672 VanDerWaalsContact NE-CZ 3.29Å; R581-R672 VanDerWaalsContact NE-NE 3.16Å; R581-N673 VanDerWaalsContact CB-OD1 3.32Å; R581-N673 WeakPolarHBondContact CB-OD1 3.26Å; R581-N673 VanDerWaalsContact O-CA 3.31Å; R581-N673 WeakPolarHBondContact O-CA 3.23Å; R581-N673 WeakPolarHBondContact O-CB 3.39Å; R581-N673 VanDerWaalsContact O-CG 3.25Å; R581-N673 PolarHBondContact O-OD1 3.45Å | ||
| 582 | S | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | trans | -78.5 | 129.7 | -172 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | Q497 N531 Y580 Y675 | Q497-S582 VanDerWaalsContact CD-CB 3.41Å; Q497-S582 PolarHBondContact OE1-OG 3.17Å; N531-S582 PolarHBondContact ND2-O 2.93Å; Y580-S582 VanDerWaalsContact C-N 3.34Å; Y580-S582 WeakPolarHBondContact CB-OG 3.4Å; Y580-S582 PolarHBondContact O-N 3.01Å; S582-Y675 WeakPolarHBondContact OG-CD2 3.42Å | ||
| 583 | I | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -122.6 | 165.9 | 170.8 | 66.2 | 173.3 | 0 | 0 | 0 | 110.3 | I556 L559 I563 N673 Y675 L676 Q751 | I556-I583 HydrophobicContact CD1-CD1 3.66Å; I556-I583 HydrophobicContact CG2-CD1 4Å; L559-I583 HydrophobicContact CB-CB 3.89Å; L559-I583 HydrophobicContact CB-CD1 4.03Å; L559-I583 HydrophobicContact CB-CG2 3.76Å; L559-I583 HydrophobicContact CD1-CB 4.26Å; L559-I583 HydrophobicContact CD1-CD1 4.32Å; I563-I583 HydrophobicContact CD1-CG2 3.66Å; I563-I583 HydrophobicContact CG1-CG2 4.41Å; I583-N673 HydrophobicContact CD1-CB 4.26Å; I583-N673 HydrophobicContact CG1-CB 4.08Å; I583-Y675 WeakPolarHBondContact CG1-O 3.18Å; I583-Y675 PolarHBondContact N-O 3.5Å; I583-Y675 VanDerWaalsContact N-O 3.07Å; I583-Y675 CarbonylContact O-C 3.58Å; I583-Y675 VanDerWaalsContact O-O 3.06Å; I583-L676 HydrophobicContact CD1-CD2 4.04Å; I583-L676 HydrophobicContact CG1-CD2 4.16Å; I583-Q751 PolarHBondContact O-NE2 3.11Å | ||
| 584 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 90.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | N531 L532 A533 G586 L676 | N531-G584 PolarHBondContact O-N 2.87Å; L532-G584 WeakPolarHBondContact CA-O 3.3Å; L532-G584 VanDerWaalsContact CD2-O 3.25Å; L532-G584 WeakPolarHBondContact CD2-O 3.49Å; A533-G584 PolarHBondContact N-O 2.67Å; G584-G586 PolarHBondContact O-N 2.89Å; G584-L676 CarbonylContact C-O 3.58Å; G584-L676 WeakPolarHBondContact CA-O 3.3Å |
| 585 | L | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.8 | 168.4 | -177.3 | 62.6 | 0 | 0 | 0 | 108.8 | A533 L535 V552 A555 I556 L559 L676 L677 A678 | A533-L585 HydrophobicContact CB-CD1 4.19Å; L535-L585 HydrophobicContact CD1-CD2 4.29Å; L535-L585 HydrophobicContact CD2-CD1 4.07Å; L535-L585 HydrophobicContact CD2-CD2 4.4Å; L535-L585 HydrophobicContact CG-CD1 4.02Å; L535-L585 HydrophobicContact CG-CD2 4.35Å; L535-L585 HydrophobicContact CG-CG 4.28Å; V552-L585 HydrophobicContact CG1-CD2 3.94Å; V552-L585 HydrophobicContact CG2-CD2 4.45Å; A555-L585 HydrophobicContact CB-CD1 3.92Å; A555-L585 HydrophobicContact CB-CD2 4.28Å; I556-L585 HydrophobicContact CD1-CB 4.2Å; I556-L585 HydrophobicContact CD1-CD2 4.02Å; I556-L585 HydrophobicContact CG1-CD2 4.31Å; L559-L585 HydrophobicContact CD1-CB 3.9Å; L559-L585 HydrophobicContact CD1-CD1 4.33Å; L585-L676 PolarHBondContact N-O 2.92Å; L585-L677 HydrophobicContact CB-CD2 3.88Å; L585-L677 HydrophobicContact CD2-CD2 4.44Å; L585-L677 HydrophobicContact CG-CD2 4.43Å; L585-L677 WeakPolarHBondContact O-CA 3.46Å; L585-L677 WeakPolarHBondContact O-CD2 3.48Å; L585-A678 CarbonylContact C-O 3.53Å; L585-A678 PolarHBondContact O-N 3.08Å |
| 586 | G | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -165.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A533 S534 L535 G584 A678 | A533-G586 PolarHBondContact O-N 2.86Å; S534-G586 WeakPolarHBondContact CA-O 3.4Å; L535-G586 PolarHBondContact N-O 3.46Å; G584-G586 PolarHBondContact O-N 2.89Å; G586-A678 WeakPolarHBondContact CA-O 3.2Å; G586-A678 PolarHBondContact N-O 3.39Å |
| 587 | V | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.4 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L535 L537 F614 I617 V679 I695 | L535-V587 HydrophobicContact CB-CG1 4.44Å; L535-V587 CarbonylContact O-C 3.49Å; L535-V587 WeakPolarHBondContact O-CA 3.49Å; L537-V587 HydrophobicContact CD1-CB 3.74Å; L537-V587 HydrophobicContact CD1-CG1 3.99Å; L537-V587 HydrophobicContact CD1-CG2 3.97Å; L537-V587 HydrophobicContact CD2-CB 4.34Å; L537-V587 HydrophobicContact CD2-CG1 4.04Å; L537-V587 HydrophobicContact CG-CB 3.92Å; L537-V587 HydrophobicContact CG-CG1 4.16Å; V587-F614 HydrophobicContact CG1-CE1 4.37Å; V587-F614 HydrophobicContact CG1-CZ 4.11Å; V587-F614 HydrophobicContact CG2-CE1 4.41Å; V587-F614 HydrophobicContact CG2-CZ 3.73Å; V587-I617 HydrophobicContact CG1-CD1 4.18Å; V587-V679 HydrophobicContact CG2-CG1 4.04Å; V587-V679 HydrophobicContact CG2-CG2 4.37Å; V587-I695 HydrophobicContact CG2-CG2 3.76Å |
| 588 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 169 | 166.4 | 66.4 | 0 | 0 | 0 | 0 | 109 | L535 L537 Y590 T682 G694 | L535-S588 PolarHBondContact O-N 2.99Å; L535-S588 VanDerWaalsContact O-O 3.13Å; L535-S588 PolarHBondContact O-OG 3.5Å; L537-S588 PolarHBondContact N-O 3.31Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; S588-T682 VanDerWaalsContact CB-OG1 3.29Å; S588-T682 WeakPolarHBondContact CB-OG1 3.34Å; S588-G694 WeakPolarHBondContact CA-O 3.45Å |
| 589 | G | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | 73.9 | 25.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | H592 M593 T691 S692 | G589-H592 WeakPolarHBondContact O-CB 3.34Å; G589-H592 PolarHBondContact O-N 3.29Å; G589-M593 WeakPolarHBondContact O-CB 3.42Å; G589-M593 PolarHBondContact O-N 2.76Å; G589-T691 WeakPolarHBondContact CA-OG1 3.32Å; G589-S692 VanDerWaalsContact C-OG 3.25Å; G589-S692 WeakPolarHBondContact CA-O 3.5Å; G589-S692 WeakPolarHBondContact CA-OG 3.18Å; G589-S692 PolarHBondContact N-O 3.05Å | ||
| 590 | Y | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | -177.3 | -174.3 | -104.7 | 0 | 0 | 0 | 113 | L537 S588 H592 M593 L594 W601 H606 T610 F614 S692 G694 I695 R745 | L537-Y590 HydrophobicContact CD1-CD2 4.16Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; Y590-H592 VanDerWaalsContact C-N 3.29Å; Y590-H592 PolarHBondContact O-N 3.44Å; Y590-M593 HydrophobicContact CD2-CE 3.96Å; Y590-M593 HydrophobicContact CE2-CE 3.92Å; Y590-M593 WeakPolarHBondContact O-CB 3.43Å; Y590-M593 PolarHBondContact O-N 2.94Å; Y590-L594 HydrophobicContact CD1-CD1 4.3Å; Y590-L594 HydrophobicContact CE1-CD1 3.93Å; Y590-L594 PolarHBondContact O-N 3.28Å; Y590-W601 AromaticContact CD1-CH2 3.7Å; Y590-W601 HydrophobicContact CD1-CH2 3.7Å; Y590-W601 AromaticContact CD1-CZ3 3.8Å; Y590-W601 HydrophobicContact CD1-CZ3 3.8Å; Y590-W601 AromaticContact CE1-CH2 3.86Å; Y590-W601 HydrophobicContact CE1-CH2 3.86Å; Y590-W601 HydrophobicContact CE1-CZ2 4.43Å; Y590-W601 HydrophobicContact CE1-CZ3 4.06Å; Y590-H606 AromaticContact CE1-NE2 3.47Å; Y590-H606 WeakPolarHBondContact CE1-NE2 3.21Å; Y590-H606 AromaticContact CZ-NE2 3.44Å; Y590-H606 PolarHBondContact OH-CD2 3.22Å; Y590-H606 PolarHBondContact OH-NE2 3.36Å; Y590-T610 HydrophobicContact CE2-CG2 3.98Å; Y590-T610 WeakPolarHBondContact OH-CB 3.47Å; Y590-T610 WeakPolarHBondContact OH-CG2 3.39Å; Y590-T610 PolarHBondContact OH-OG1 2.85Å; Y590-F614 HydrophobicContact CD2-CE2 4.33Å; Y590-F614 HydrophobicContact CE2-CE2 4.02Å; Y590-S692 PolarHBondContact N-OG 3.34Å; Y590-G694 VanDerWaalsContact CB-O 3.3Å; Y590-G694 WeakPolarHBondContact CB-O 3.42Å; Y590-G694 PolarHBondContact N-O 2.8Å; Y590-I695 HydrophobicContact CD2-CG2 4.34Å; Y590-I695 HydrophobicContact CG-CB 4.39Å; Y590-I695 HydrophobicContact CG-CG2 4.23Å; Y590-R745 VanDerWaalsContact CZ-NH1 3.28Å; Y590-R745 PolarHBondContact OH-NH1 3.24Å |
| 591 | H | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | 174.8 | -157.8 | 161.4 | 0 | 0 | 0 | 111.6 | M593 L594 A595 W601 S692 P697 I698 Y726 Y727 K728 | H591-M593 VanDerWaalsContact C-N 3.35Å; H591-M593 PolarHBondContact O-N 3.39Å; H591-L594 PolarHBondContact O-N 3.49Å; H591-A595 WeakPolarHBondContact O-CB 3.47Å; H591-A595 PolarHBondContact O-N 2.63Å; H591-W601 HydrophobicContact CB-CE3 4.42Å; H591-W601 HydrophobicContact CB-CZ3 3.81Å; H591-W601 AromaticContact CD2-CE3 3.85Å; H591-W601 AromaticContact CE1-CE3 3.97Å; H591-W601 AromaticContact CG-CE3 3.87Å; H591-W601 AromaticContact CG-CZ3 3.72Å; H591-W601 AromaticContact ND1-CE3 3.95Å; H591-W601 AromaticContact ND1-CZ3 3.89Å; H591-W601 AromaticContact NE2-CE3 3.93Å; H591-S692 PolarHBondContact N-OG 2.96Å; H591-P697 VanDerWaalsContact ND1-CA 3.29Å; H591-P697 WeakPolarHBondContact ND1-CA 3.46Å; H591-I698 HydrophobicContact CB-CG2 4.44Å; H591-I698 PolarHBondContact ND1-N 2.93Å; H591-Y726 PolarHBondContact NE2-O 3.43Å; H591-Y726 VanDerWaalsContact NE2-O 3.1Å; H591-Y727 HydrophobicContact CB-CE1 4.34Å; H591-Y727 AromaticContact CD2-CD1 3.67Å; H591-Y727 AromaticContact CD2-CE1 3.86Å; H591-Y727 AromaticContact CE1-CD1 3.92Å; H591-Y727 AromaticContact CG-CD1 3.9Å; H591-Y727 AromaticContact CG-CE1 3.92Å; H591-Y727 AromaticContact NE2-CD1 3.68Å; H591-K728 PolarHBondContact CE1-O 2.92Å |
| 592 | H | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 173.7 | -178.1 | -164.7 | 0 | 0 | 0 | 112 | G589 Y590 L594 A595 K596 T691 S692 P717 E718 Y727 | G589-H592 WeakPolarHBondContact O-CB 3.34Å; G589-H592 PolarHBondContact O-N 3.29Å; Y590-H592 VanDerWaalsContact C-N 3.29Å; Y590-H592 PolarHBondContact O-N 3.44Å; H592-L594 VanDerWaalsContact C-N 3.34Å; H592-L594 PolarHBondContact O-N 2.97Å; H592-A595 PolarHBondContact O-N 2.89Å; H592-K596 VanDerWaalsContact O-CB 3.23Å; H592-K596 WeakPolarHBondContact O-CB 3.44Å; H592-K596 PolarHBondContact O-N 2.83Å; H592-T691 PolarHBondContact ND1-OG1 2.86Å; H592-S692 PolarHBondContact N-OG 3.26Å; H592-P717 HydrophobicContact CB-CB 4.17Å; H592-P717 HydrophobicContact CB-CG 4.2Å; H592-P717 WeakPolarHBondContact ND1-CB 3.33Å; H592-E718 IonicContact CE1-OE1 3.55Å; H592-E718 VanDerWaalsContact NE2-CD 3.33Å; H592-E718 WeakPolarHBondContact NE2-CG 3.38Å; H592-E718 IonicContact NE2-OE1 3.69Å; H592-E718 PolarHBondContact NE2-OE1 3.29Å; H592-E718 IonicContact NE2-OE2 2.72Å; H592-Y727 WeakPolarHBondContact CA-OH 3.43Å |
| 593 | M | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 175.5 | 179.2 | -162.9 | 68 | 0 | 0 | 112.1 | L537 V542 G589 Y590 H591 R597 F609 V613 | L537-M593 HydrophobicContact CB-CB 3.79Å; L537-M593 HydrophobicContact CB-CG 4.1Å; L537-M593 HydrophobicContact CB-SD 3.9Å; L537-M593 HydrophobicContact CD1-CE 4.48Å; L537-M593 HydrophobicContact CD1-SD 3.86Å; L537-M593 HydrophobicContact CG-SD 4.39Å; V542-M593 HydrophobicContact CG1-CG 4.39Å; V542-M593 HydrophobicContact CG1-SD 4.17Å; V542-M593 HydrophobicContact CG2-CG 4.28Å; V542-M593 HydrophobicContact CG2-SD 4.08Å; G589-M593 WeakPolarHBondContact O-CB 3.42Å; G589-M593 PolarHBondContact O-N 2.76Å; Y590-M593 HydrophobicContact CD2-CE 3.96Å; Y590-M593 HydrophobicContact CE2-CE 3.92Å; Y590-M593 WeakPolarHBondContact O-CB 3.43Å; Y590-M593 PolarHBondContact O-N 2.94Å; H591-M593 VanDerWaalsContact C-N 3.35Å; H591-M593 PolarHBondContact O-N 3.39Å; M593-R597 VanDerWaalsContact CG-NH1 3.33Å; M593-R597 VanDerWaalsContact O-CD 3.3Å; M593-R597 WeakPolarHBondContact O-CD 3.37Å; M593-R597 WeakPolarHBondContact O-CG 3.28Å; M593-R597 PolarHBondContact O-NH1 2.85Å; M593-F609 HydrophobicContact CE-CD1 4.04Å; M593-F609 HydrophobicContact CE-CE1 3.73Å; M593-F609 HydrophobicContact CG-CE1 4.02Å; M593-F609 HydrophobicContact SD-CE1 3.8Å; M593-V613 HydrophobicContact SD-CG1 4.2Å; M593-V613 HydrophobicContact SD-CG2 4.35Å |
| 594 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -49 | 179.9 | -62.6 | 175 | 0 | 0 | 0 | 112.1 | Y590 H591 H592 K596 R597 G598 I599 W601 H606 F609 | Y590-L594 HydrophobicContact CD1-CD1 4.3Å; Y590-L594 HydrophobicContact CE1-CD1 3.93Å; Y590-L594 PolarHBondContact O-N 3.28Å; H591-L594 PolarHBondContact O-N 3.49Å; H592-L594 VanDerWaalsContact C-N 3.34Å; H592-L594 PolarHBondContact O-N 2.97Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 2.88Å; L594-R597 CarbonylContact O-C 3.36Å; L594-R597 PolarHBondContact O-N 3.28Å; L594-G598 PolarHBondContact O-N 2.84Å; L594-I599 HydrophobicContact CB-CB 4.39Å; L594-I599 HydrophobicContact CD2-CB 4.23Å; L594-I599 HydrophobicContact CD2-CG2 4.07Å; L594-I599 PolarHBondContact O-N 3.47Å; L594-W601 HydrophobicContact CD1-CE3 3.91Å; L594-W601 HydrophobicContact CD1-CZ3 4.21Å; L594-H606 VanDerWaalsContact CD1-CD2 3.44Å; L594-H606 WeakPolarHBondContact CD1-CD2 3.38Å; L594-F609 HydrophobicContact CD2-CD1 4Å |
| 595 | A | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H591 H592 R597 G598 Y727 | H591-A595 WeakPolarHBondContact O-CB 3.47Å; H591-A595 PolarHBondContact O-N 2.63Å; H592-A595 PolarHBondContact O-N 2.89Å; A595-R597 PolarHBondContact O-N 2.86Å; A595-G598 PolarHBondContact O-N 2.92Å; A595-G598 VanDerWaalsContact O-N 3.09Å; A595-Y727 HydrophobicContact CB-CD1 4.06Å; A595-Y727 HydrophobicContact CB-CD2 4.04Å; A595-Y727 HydrophobicContact CB-CE1 3.69Å; A595-Y727 HydrophobicContact CB-CE2 3.67Å; A595-Y727 HydrophobicContact CB-CG 4.22Å; A595-Y727 VanDerWaalsContact CB-CZ 3.48Å |
| 596 | K | 96.8 | Very high | 97.9 | Very high | 91 Ų | 91 | 32 Ų | 32 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.1 | -25 | 175.6 | -175.5 | 169.6 | -173.3 | 161 | 0 | 113.6 | G538 H592 L594 E718 | G538-K596 WeakPolarHBondContact O-CD 3.23Å; G538-K596 PolarHBondContact O-NZ 3.14Å; H592-K596 VanDerWaalsContact O-CB 3.23Å; H592-K596 WeakPolarHBondContact O-CB 3.44Å; H592-K596 PolarHBondContact O-N 2.83Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 2.88Å; K596-E718 WeakPolarHBondContact CD-OE2 3.46Å; K596-E718 WeakPolarHBondContact CE-OE1 3.26Å; K596-E718 VanDerWaalsContact CE-OE2 3.28Å; K596-E718 WeakPolarHBondContact CE-OE2 3.25Å; K596-E718 IonicContact NZ-OE1 2.88Å; K596-E718 PolarHBondContact NZ-OE1 3.01Å; K596-E718 IonicContact NZ-OE2 3.74Å |
| 597 | R | 97.3 | Very high | 97.9 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 21% | 0.208 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.4 | -179.5 | -70.1 | 165.3 | 178.2 | 74.5 | 6 | 113.2 | L540 E543 M593 L594 A595 I599 | L540-R597 PolarHBondContact O-NH2 3.39Å; E543-R597 VanDerWaalsContact CD-NE 3.27Å; E543-R597 VanDerWaalsContact OE1-CD 3.28Å; E543-R597 WeakPolarHBondContact OE1-CD 3.5Å; E543-R597 IonicContact OE1-CZ 3.72Å; E543-R597 IonicContact OE1-NE 3.75Å; E543-R597 PolarHBondContact OE1-NE 3.03Å; E543-R597 IonicContact OE1-NH2 2.98Å; E543-R597 IonicContact OE2-CZ 2.98Å; E543-R597 IonicContact OE2-NE 3.7Å; E543-R597 PolarHBondContact OE2-NE 3.47Å; E543-R597 IonicContact OE2-NH2 3.11Å; E543-R597 PolarHBondContact OE2-NH2 3.36Å; M593-R597 VanDerWaalsContact CG-NH1 3.33Å; M593-R597 VanDerWaalsContact O-CD 3.3Å; M593-R597 WeakPolarHBondContact O-CD 3.37Å; M593-R597 WeakPolarHBondContact O-CG 3.28Å; M593-R597 PolarHBondContact O-NH1 2.85Å; L594-R597 CarbonylContact O-C 3.36Å; L594-R597 PolarHBondContact O-N 3.28Å; A595-R597 PolarHBondContact O-N 2.86Å; R597-I599 HydrophobicContact CB-CD1 4.02Å; R597-I599 HydrophobicContact CB-CG1 4.02Å; R597-I599 PolarHBondContact O-N 2.68Å |
| 598 | G | 97.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 26% | 0.258 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 25.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L594 A595 Y726 | L594-G598 PolarHBondContact O-N 2.84Å; A595-G598 PolarHBondContact O-N 2.92Å; A595-G598 VanDerWaalsContact O-N 3.09Å; G598-Y726 VanDerWaalsContact C-CD1 3.44Å; G598-Y726 VanDerWaalsContact CA-CZ 3.44Å; G598-Y726 WeakPolarHBondContact O-CD1 3.43Å; G598-Y726 WeakPolarHBondContact O-CE1 3.32Å |
| 599 | I | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | trans | -96.2 | 123.1 | 179.5 | -58 | 176 | 0 | 0 | 0 | 108.8 | L594 R597 E605 H606 F609 | L594-I599 HydrophobicContact CB-CB 4.39Å; L594-I599 HydrophobicContact CD2-CB 4.23Å; L594-I599 HydrophobicContact CD2-CG2 4.07Å; L594-I599 PolarHBondContact O-N 3.47Å; R597-I599 HydrophobicContact CB-CD1 4.02Å; R597-I599 HydrophobicContact CB-CG1 4.02Å; R597-I599 PolarHBondContact O-N 2.68Å; I599-E605 HydrophobicContact CD1-CG 4.34Å; I599-E605 HydrophobicContact CG1-CG 4.23Å; I599-E605 HydrophobicContact CG2-CB 4.42Å; I599-E605 HydrophobicContact CG2-CG 4.12Å; I599-H606 HydrophobicContact CG2-CB 3.74Å; I599-F609 HydrophobicContact CD1-CB 3.92Å; I599-F609 HydrophobicContact CD1-CD1 3.64Å; I599-F609 HydrophobicContact CD1-CD2 4.09Å; I599-F609 HydrophobicContact CD1-CE1 4.17Å; I599-F609 HydrophobicContact CD1-CG 3.6Å | ||
| 600 | R | 97.2 | Very high | 97.9 | Very high | 165 Ų | 165 | 37.4 Ų | 37.4 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | trans | -73.5 | 145.7 | 175.2 | -65.4 | -177.3 | -178.3 | -178.4 | 1.4 | 110.8 | E602 S603 H606 Y726 | R600-E602 VanDerWaalsContact C-N 3.31Å; R600-E602 PolarHBondContact O-N 3.1Å; R600-S603 PolarHBondContact O-OG 3.14Å; R600-H606 WeakPolarHBondContact O-CB 3.4Å; R600-Y726 HydrophobicContact CG-CD1 3.8Å; R600-Y726 HydrophobicContact CG-CE1 3.95Å | ||
| 601 | W | 97.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -61.5 | -36.4 | 177.4 | -167.2 | -78.8 | 0 | 0 | 0 | 113.5 | Y590 H591 L594 S603 H606 I695 P697 I733 S738 | Y590-W601 AromaticContact CD1-CH2 3.7Å; Y590-W601 HydrophobicContact CD1-CH2 3.7Å; Y590-W601 AromaticContact CD1-CZ3 3.8Å; Y590-W601 HydrophobicContact CD1-CZ3 3.8Å; Y590-W601 AromaticContact CE1-CH2 3.86Å; Y590-W601 HydrophobicContact CE1-CH2 3.86Å; Y590-W601 HydrophobicContact CE1-CZ2 4.43Å; Y590-W601 HydrophobicContact CE1-CZ3 4.06Å; H591-W601 HydrophobicContact CB-CE3 4.42Å; H591-W601 HydrophobicContact CB-CZ3 3.81Å; H591-W601 AromaticContact CD2-CE3 3.85Å; H591-W601 AromaticContact CE1-CE3 3.97Å; H591-W601 AromaticContact CG-CE3 3.87Å; H591-W601 AromaticContact CG-CZ3 3.72Å; H591-W601 AromaticContact ND1-CE3 3.95Å; H591-W601 AromaticContact ND1-CZ3 3.89Å; H591-W601 AromaticContact NE2-CE3 3.93Å; L594-W601 HydrophobicContact CD1-CE3 3.91Å; L594-W601 HydrophobicContact CD1-CZ3 4.21Å; W601-S603 PolarHBondContact O-N 3.48Å; W601-H606 PolarHBondContact O-CE1 3.32Å; W601-H606 PolarHBondContact O-ND1 2.85Å; W601-I695 WeakPolarHBondContact CH2-O 3.48Å; W601-P697 HydrophobicContact CD2-CB 4.41Å; W601-P697 HydrophobicContact CE3-CB 4.16Å; W601-P697 HydrophobicContact CH2-CB 3.78Å; W601-P697 HydrophobicContact CH2-CG 4.07Å; W601-P697 HydrophobicContact CZ2-CB 4.04Å; W601-P697 HydrophobicContact CZ2-CG 4.01Å; W601-P697 HydrophobicContact CZ3-CB 3.85Å; W601-I733 HydrophobicContact CB-CD1 4.39Å; W601-I733 HydrophobicContact CD2-CD1 3.93Å; W601-I733 HydrophobicContact CG-CD1 3.82Å; W601-I733 HydrophobicContact CG-CG1 4.42Å; W601-I733 HydrophobicContact CG-CG2 4.42Å; W601-S738 PolarHBondContact NE1-OG 3.04Å; W601-S738 VanDerWaalsContact NE1-OG 3.1Å |
| 602 | E | 96.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -101.9 | 62.8 | -175.9 | -62.9 | 161.5 | 142.6 | 0 | 0 | 110.1 | R600 K728 I733 D734 W737 | R600-E602 VanDerWaalsContact C-N 3.31Å; R600-E602 PolarHBondContact O-N 3.1Å; E602-K728 IonicContact OE1-NZ 2.91Å; E602-K728 PolarHBondContact OE1-NZ 2.89Å; E602-K728 WeakPolarHBondContact OE2-CD 3.49Å; E602-K728 IonicContact OE2-NZ 2.64Å; E602-K728 PolarHBondContact OE2-NZ 3.19Å; E602-I733 HydrophobicContact CG-CG2 4.4Å; E602-I733 WeakPolarHBondContact OE1-CA 3.42Å; E602-D734 PolarHBondContact OE1-N 2.96Å; E602-W737 HydrophobicContact CB-CD2 4.03Å; E602-W737 HydrophobicContact CB-CG 3.96Å; E602-W737 HydrophobicContact CG-CB 4.27Å; E602-W737 HydrophobicContact CG-CD2 4.49Å; E602-W737 HydrophobicContact CG-CG 3.89Å |
| 603 | S | 96.8 | Very high | 98 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -144.4 | 153.9 | 179.7 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | R600 W601 E605 H606 L607 W737 | R600-S603 PolarHBondContact O-OG 3.14Å; W601-S603 PolarHBondContact O-N 3.48Å; S603-E605 PolarHBondContact O-N 3Å; S603-H606 WeakPolarHBondContact O-CB 3.38Å; S603-H606 PolarHBondContact O-N 2.95Å; S603-H606 PolarHBondContact OG-N 3.22Å; S603-H606 VanDerWaalsContact OG-N 3.13Å; S603-L607 PolarHBondContact O-N 2.85Å; S603-W737 WeakPolarHBondContact O-CZ3 3.44Å |
| 604 | D | 98.3 | Very high | 98 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.9 | -27.5 | 173.7 | -64.8 | -41.2 | 0 | 0 | 0 | 111.9 | H606 L607 A608 | D604-H606 VanDerWaalsContact C-N 3.33Å; D604-H606 PolarHBondContact O-N 3.49Å; D604-L607 WeakPolarHBondContact O-CB 3.31Å; D604-L607 PolarHBondContact O-N 3.42Å; D604-A608 PolarHBondContact O-N 3.4Å |
| 605 | E | 98.5 | Very high | 97.9 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 54% | 0.542 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59 | -42.9 | 171.7 | -177.3 | -179.8 | -158.1 | 0 | 0 | 111.5 | I599 S603 L607 A608 F609 | I599-E605 HydrophobicContact CD1-CG 4.34Å; I599-E605 HydrophobicContact CG1-CG 4.23Å; I599-E605 HydrophobicContact CG2-CB 4.42Å; I599-E605 HydrophobicContact CG2-CG 4.12Å; S603-E605 PolarHBondContact O-N 3Å; E605-L607 VanDerWaalsContact C-N 3.33Å; E605-L607 PolarHBondContact O-N 2.87Å; E605-A608 PolarHBondContact O-N 2.82Å; E605-F609 WeakPolarHBondContact O-CB 3.43Å; E605-F609 PolarHBondContact O-N 2.67Å |
| 606 | H | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.8 | 159 | -142.5 | 0 | 0 | 0 | 112.1 | Y590 L594 I599 R600 W601 S603 D604 T610 | Y590-H606 AromaticContact CE1-NE2 3.47Å; Y590-H606 WeakPolarHBondContact CE1-NE2 3.21Å; Y590-H606 AromaticContact CZ-NE2 3.44Å; Y590-H606 PolarHBondContact OH-CD2 3.22Å; Y590-H606 PolarHBondContact OH-NE2 3.36Å; L594-H606 VanDerWaalsContact CD1-CD2 3.44Å; L594-H606 WeakPolarHBondContact CD1-CD2 3.38Å; I599-H606 HydrophobicContact CG2-CB 3.74Å; R600-H606 WeakPolarHBondContact O-CB 3.4Å; W601-H606 PolarHBondContact O-CE1 3.32Å; W601-H606 PolarHBondContact O-ND1 2.85Å; S603-H606 WeakPolarHBondContact O-CB 3.38Å; S603-H606 PolarHBondContact O-N 2.95Å; S603-H606 PolarHBondContact OG-N 3.22Å; S603-H606 VanDerWaalsContact OG-N 3.13Å; D604-H606 VanDerWaalsContact C-N 3.33Å; D604-H606 PolarHBondContact O-N 3.49Å; H606-T610 PolarHBondContact CD2-OG1 2.59Å; H606-T610 VanDerWaalsContact CD2-OG1 3.24Å; H606-T610 WeakPolarHBondContact O-CB 3.39Å; H606-T610 PolarHBondContact O-N 3.43Å; H606-T610 PolarHBondContact O-OG1 2.83Å |
| 607 | L | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 179.6 | -61.3 | -173.8 | 0 | 0 | 0 | 111.3 | S603 D604 E605 T610 D611 W737 R740 A741 L744 | S603-L607 PolarHBondContact O-N 2.85Å; D604-L607 WeakPolarHBondContact O-CB 3.31Å; D604-L607 PolarHBondContact O-N 3.42Å; E605-L607 VanDerWaalsContact C-N 3.33Å; E605-L607 PolarHBondContact O-N 2.87Å; L607-T610 PolarHBondContact O-N 3.04Å; L607-D611 PolarHBondContact O-N 3.41Å; L607-W737 HydrophobicContact CD1-CE3 4.17Å; L607-W737 HydrophobicContact CD1-CZ3 3.89Å; L607-W737 HydrophobicContact CG-CE3 4.3Å; L607-W737 HydrophobicContact CG-CZ3 4.21Å; L607-R740 HydrophobicContact CD1-CB 4.37Å; L607-R740 HydrophobicContact CD2-CB 4.24Å; L607-A741 HydrophobicContact CD2-CB 3.69Å; L607-L744 HydrophobicContact CB-CD1 3.65Å; L607-L744 HydrophobicContact CD2-CD1 4.1Å; L607-L744 HydrophobicContact CG-CD1 4.3Å |
| 608 | A | 98.6 | Very high | 98.1 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 54% | 0.537 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D604 E605 T610 D611 A612 | D604-A608 PolarHBondContact O-N 3.4Å; E605-A608 PolarHBondContact O-N 2.82Å; A608-T610 VanDerWaalsContact C-N 3.33Å; A608-T610 PolarHBondContact O-N 3.01Å; A608-D611 PolarHBondContact O-N 3.36Å; A608-A612 PolarHBondContact O-N 2.85Å |
| 609 | F | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 179 | -175.8 | -109.1 | 0 | 0 | 0 | 111.8 | V542 E543 M593 L594 I599 E605 A612 V613 | V542-F609 HydrophobicContact CG2-CE1 4.22Å; V542-F609 HydrophobicContact CG2-CE2 4.45Å; V542-F609 HydrophobicContact CG2-CZ 3.55Å; E543-F609 HydrophobicContact CG-CE2 4.19Å; M593-F609 HydrophobicContact CE-CD1 4.04Å; M593-F609 HydrophobicContact CE-CE1 3.73Å; M593-F609 HydrophobicContact CG-CE1 4.02Å; M593-F609 HydrophobicContact SD-CE1 3.8Å; L594-F609 HydrophobicContact CD2-CD1 4Å; I599-F609 HydrophobicContact CD1-CB 3.92Å; I599-F609 HydrophobicContact CD1-CD1 3.64Å; I599-F609 HydrophobicContact CD1-CD2 4.09Å; I599-F609 HydrophobicContact CD1-CE1 4.17Å; I599-F609 HydrophobicContact CD1-CG 3.6Å; E605-F609 WeakPolarHBondContact O-CB 3.43Å; E605-F609 PolarHBondContact O-N 2.67Å; F609-A612 PolarHBondContact O-N 2.87Å; F609-V613 HydrophobicContact CD1-CG2 4.32Å; F609-V613 HydrophobicContact CE1-CG2 3.91Å; F609-V613 HydrophobicContact CE2-CG2 4.15Å; F609-V613 HydrophobicContact CZ-CG2 3.79Å; F609-V613 WeakPolarHBondContact O-CG2 3.26Å; F609-V613 PolarHBondContact O-N 2.99Å |
| 610 | T | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 178 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | Y590 H606 L607 A608 A612 V613 F614 R745 | Y590-T610 HydrophobicContact CE2-CG2 3.98Å; Y590-T610 WeakPolarHBondContact OH-CB 3.47Å; Y590-T610 WeakPolarHBondContact OH-CG2 3.39Å; Y590-T610 PolarHBondContact OH-OG1 2.85Å; H606-T610 PolarHBondContact CD2-OG1 2.59Å; H606-T610 VanDerWaalsContact CD2-OG1 3.24Å; H606-T610 WeakPolarHBondContact O-CB 3.39Å; H606-T610 PolarHBondContact O-N 3.43Å; H606-T610 PolarHBondContact O-OG1 2.83Å; L607-T610 PolarHBondContact O-N 3.04Å; A608-T610 VanDerWaalsContact C-N 3.33Å; A608-T610 PolarHBondContact O-N 3.01Å; T610-A612 VanDerWaalsContact C-N 3.31Å; T610-A612 PolarHBondContact O-N 2.72Å; T610-V613 PolarHBondContact O-N 3.48Å; T610-F614 HydrophobicContact CG2-CD2 3.98Å; T610-F614 HydrophobicContact CG2-CE2 4.28Å; T610-F614 WeakPolarHBondContact O-CD2 3.46Å; T610-F614 PolarHBondContact O-N 2.82Å; T610-R745 HydrophobicContact CG2-CG 3.17Å |
| 611 | D | 98.4 | Very high | 98.3 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 19% | 0.187 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -47.6 | 177.8 | -168.8 | 64 | 0 | 0 | 0 | 110.4 | L607 A608 F614 E615 R747 H748 | L607-D611 PolarHBondContact O-N 3.41Å; A608-D611 PolarHBondContact O-N 3.36Å; D611-F614 PolarHBondContact O-N 3.31Å; D611-E615 WeakPolarHBondContact O-CB 3.39Å; D611-E615 PolarHBondContact O-N 2.85Å; D611-R747 IonicContact OD1-CZ 3.61Å; D611-R747 IonicContact OD1-NE 2.72Å; D611-R747 IonicContact OD1-NH2 2.68Å; D611-R747 PolarHBondContact OD1-NH2 3.2Å; D611-R747 IonicContact OD2-NH2 3.2Å; D611-R747 PolarHBondContact OD2-NH2 3.27Å; D611-H748 PolarHBondContact O-NE2 3.47Å; D611-H748 IonicContact OD1-CD2 2.88Å; D611-H748 IonicContact OD1-CE1 3.93Å; D611-H748 IonicContact OD1-NE2 3.9Å; D611-H748 PolarHBondContact OD1-NE2 3.49Å |
| 612 | A | 98.1 | Very high | 98.4 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A608 F609 T610 F614 E615 H616 | A608-A612 PolarHBondContact O-N 2.85Å; F609-A612 PolarHBondContact O-N 2.87Å; T610-A612 VanDerWaalsContact C-N 3.31Å; T610-A612 PolarHBondContact O-N 2.72Å; A612-F614 PolarHBondContact O-N 3.12Å; A612-E615 PolarHBondContact O-N 3.29Å; A612-H616 WeakPolarHBondContact O-CB 3.36Å; A612-H616 PolarHBondContact O-N 3.12Å |
| 613 | V | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | -179.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | V542 M593 F609 T610 H616 I617 | V542-V613 HydrophobicContact CB-CG1 4.24Å; V542-V613 HydrophobicContact CB-CG2 4.15Å; V542-V613 HydrophobicContact CG2-CG1 4.49Å; V542-V613 HydrophobicContact CG2-CG2 3.64Å; M593-V613 HydrophobicContact SD-CG1 4.2Å; M593-V613 HydrophobicContact SD-CG2 4.35Å; F609-V613 HydrophobicContact CD1-CG2 4.32Å; F609-V613 HydrophobicContact CE1-CG2 3.91Å; F609-V613 HydrophobicContact CE2-CG2 4.15Å; F609-V613 HydrophobicContact CZ-CG2 3.79Å; F609-V613 WeakPolarHBondContact O-CG2 3.26Å; F609-V613 PolarHBondContact O-N 2.99Å; T610-V613 PolarHBondContact O-N 3.48Å; V613-H616 PolarHBondContact O-N 2.67Å; V613-I617 HydrophobicContact CG1-CD1 3.85Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.32Å; V613-I617 PolarHBondContact O-N 2.79Å |
| 614 | F | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.9 | -33.1 | -179.1 | -86.6 | -100.9 | 0 | 0 | 0 | 112.9 | V587 Y590 T610 D611 A612 H616 N618 V679 R745 H748 I749 | V587-F614 HydrophobicContact CG1-CE1 4.37Å; V587-F614 HydrophobicContact CG1-CZ 4.11Å; V587-F614 HydrophobicContact CG2-CE1 4.41Å; V587-F614 HydrophobicContact CG2-CZ 3.73Å; Y590-F614 HydrophobicContact CD2-CE2 4.33Å; Y590-F614 HydrophobicContact CE2-CE2 4.02Å; T610-F614 HydrophobicContact CG2-CD2 3.98Å; T610-F614 HydrophobicContact CG2-CE2 4.28Å; T610-F614 WeakPolarHBondContact O-CD2 3.46Å; T610-F614 PolarHBondContact O-N 2.82Å; D611-F614 PolarHBondContact O-N 3.31Å; A612-F614 PolarHBondContact O-N 3.12Å; F614-H616 VanDerWaalsContact C-N 3.31Å; F614-N618 WeakPolarHBondContact O-CB 3.39Å; F614-N618 PolarHBondContact O-N 3.45Å; F614-V679 HydrophobicContact CE1-CG2 4.24Å; F614-R745 HydrophobicContact CD1-CB 4.05Å; F614-R745 HydrophobicContact CD1-CG 4.11Å; F614-R745 HydrophobicContact CD2-CB 4.5Å; F614-R745 HydrophobicContact CD2-CG 3.7Å; F614-R745 HydrophobicContact CE1-CB 4.19Å; F614-R745 HydrophobicContact CE1-CG 4.16Å; F614-R745 HydrophobicContact CE2-CG 3.75Å; F614-R745 HydrophobicContact CG-CB 4.21Å; F614-R745 HydrophobicContact CG-CG 3.88Å; F614-R745 HydrophobicContact CZ-CB 4.47Å; F614-R745 HydrophobicContact CZ-CG 3.98Å; F614-H748 HydrophobicContact CB-CB 3.93Å; F614-I749 HydrophobicContact CD1-CD1 4.2Å; F614-I749 HydrophobicContact CD1-CG1 4.17Å; F614-I749 HydrophobicContact CE1-CD1 3.96Å; F614-I749 HydrophobicContact CE1-CG1 4.29Å |
| 615 | E | 98.4 | Very high | 98.6 | Very high | 42 Ų | 42 | 24.9 Ų | 24.9 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 169.5 | -168.5 | -178.3 | 153.2 | 0 | 0 | 110.8 | D611 A612 N618 Y619 Y654 K658 W659 H748 | D611-E615 WeakPolarHBondContact O-CB 3.39Å; D611-E615 PolarHBondContact O-N 2.85Å; A612-E615 PolarHBondContact O-N 3.29Å; E615-N618 PolarHBondContact O-N 3.17Å; E615-Y619 WeakPolarHBondContact O-CB 3.47Å; E615-Y619 PolarHBondContact O-N 3.33Å; E615-Y654 HydrophobicContact CG-CE1 4.06Å; E615-K658 IonicContact OE1-NZ 2.77Å; E615-W659 HydrophobicContact CG-CZ2 3.97Å; E615-W659 PolarHBondContact OE1-NE1 3.29Å; E615-H748 WeakPolarHBondContact CA-ND1 3.23Å; E615-H748 VanDerWaalsContact CB-CE1 3.45Å; E615-H748 WeakPolarHBondContact CB-CE1 3.34Å |
| 616 | H | 98.3 | Very high | 98.6 | Very high | 11 Ų | 11 | 19.6 Ų | 19.6 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 180 | -170.1 | 57.7 | 0 | 0 | 0 | 112.5 | E545 M548 A612 V613 F614 N618 Y619 A620 | E545-H616 WeakPolarHBondContact CA-NE2 3.36Å; E545-H616 VanDerWaalsContact CB-CE1 3.4Å; E545-H616 WeakPolarHBondContact CB-CE1 3.45Å; E545-H616 PolarHBondContact O-NE2 2.9Å; M548-H616 WeakPolarHBondContact CB-NE2 3.36Å; A612-H616 WeakPolarHBondContact O-CB 3.36Å; A612-H616 PolarHBondContact O-N 3.12Å; V613-H616 PolarHBondContact O-N 2.67Å; F614-H616 VanDerWaalsContact C-N 3.31Å; H616-N618 VanDerWaalsContact C-N 3.32Å; H616-N618 PolarHBondContact O-N 3.05Å; H616-Y619 PolarHBondContact O-N 3.27Å; H616-A620 WeakPolarHBondContact O-CB 3.49Å; H616-A620 PolarHBondContact O-N 3.46Å |
| 617 | I | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 175.5 | -69.8 | 164.8 | 0 | 0 | 0 | 110.7 | L535 L537 M548 V587 V613 A620 A621 L677 | L535-I617 HydrophobicContact CD1-CD1 4.01Å; L535-I617 HydrophobicContact CD1-CG1 4.03Å; L535-I617 HydrophobicContact CD1-CG2 4.07Å; L537-I617 HydrophobicContact CD2-CD1 4.03Å; M548-I617 HydrophobicContact CE-CD1 4.24Å; M548-I617 HydrophobicContact CE-CG1 3.8Å; V587-I617 HydrophobicContact CG1-CD1 4.18Å; V613-I617 HydrophobicContact CG1-CD1 3.85Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.32Å; V613-I617 PolarHBondContact O-N 2.79Å; I617-A620 PolarHBondContact O-N 3.16Å; I617-A621 VanDerWaalsContact O-CB 3.31Å; I617-A621 WeakPolarHBondContact O-CB 3.45Å; I617-A621 PolarHBondContact O-N 2.77Å; I617-L677 HydrophobicContact CG2-CD2 4.37Å |
| 618 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 178.8 | 179.4 | 51.6 | 0 | 0 | 0 | 112.2 | F614 E615 H616 A620 A621 V622 Y648 Y654 W659 L677 H748 | F614-N618 WeakPolarHBondContact O-CB 3.39Å; F614-N618 PolarHBondContact O-N 3.45Å; E615-N618 PolarHBondContact O-N 3.17Å; H616-N618 VanDerWaalsContact C-N 3.32Å; H616-N618 PolarHBondContact O-N 3.05Å; N618-A620 PolarHBondContact O-N 2.76Å; N618-A621 PolarHBondContact O-N 3.1Å; N618-V622 WeakPolarHBondContact O-CG2 3.34Å; N618-V622 PolarHBondContact O-N 2.82Å; N618-Y648 PolarHBondContact OD1-OH 3.07Å; N618-Y654 WeakPolarHBondContact ND2-CE2 3.21Å; N618-Y654 PolarHBondContact ND2-OH 3.3Å; N618-W659 HydrophobicContact CB-CH2 4.44Å; N618-W659 WeakPolarHBondContact ND2-CH2 3.36Å; N618-L677 HydrophobicContact CB-CD1 3.83Å; N618-H748 HydrophobicContact CB-CB 4.18Å; N618-H748 PolarHBondContact OD1-O 3.07Å |
| 619 | Y | 98.8 | Very high | 98.6 | Very high | 34 Ų | 34 | 18 Ų | 18 | 13% | 0.133 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 175.3 | -174.4 | -96 | 0 | 0 | 0 | 111.2 | E615 H616 A621 V622 K623 K658 W659 L662 | E615-Y619 WeakPolarHBondContact O-CB 3.47Å; E615-Y619 PolarHBondContact O-N 3.33Å; H616-Y619 PolarHBondContact O-N 3.27Å; Y619-A621 VanDerWaalsContact C-N 3.34Å; Y619-A621 PolarHBondContact O-N 3.15Å; Y619-V622 PolarHBondContact O-N 3.25Å; Y619-K623 HydrophobicContact CE1-CD 4.01Å; Y619-K623 VanDerWaalsContact O-CB 3.25Å; Y619-K623 WeakPolarHBondContact O-CB 3.42Å; Y619-K623 PolarHBondContact O-N 3Å; Y619-K658 HydrophobicContact CD2-CD 4.49Å; Y619-K658 HydrophobicContact CE2-CB 4.13Å; Y619-K658 HydrophobicContact CE2-CD 4.25Å; Y619-K658 HydrophobicContact CE2-CG 4.17Å; Y619-K658 WeakPolarHBondContact CE2-O 3.39Å; Y619-K658 PolarHBondContact OH-O 3Å; Y619-W659 AromaticContact CD2-CD2 3.74Å; Y619-W659 HydrophobicContact CD2-CD2 3.74Å; Y619-W659 AromaticContact CD2-CE2 3.71Å; Y619-W659 AromaticContact CD2-CE3 3.83Å; Y619-W659 HydrophobicContact CD2-CE3 3.83Å; Y619-W659 HydrophobicContact CD2-CG 4.42Å; Y619-W659 AromaticContact CD2-CH2 3.88Å; Y619-W659 HydrophobicContact CD2-CH2 3.88Å; Y619-W659 AromaticContact CD2-CZ2 3.8Å; Y619-W659 HydrophobicContact CD2-CZ2 3.8Å; Y619-W659 AromaticContact CD2-CZ3 3.9Å; Y619-W659 HydrophobicContact CD2-CZ3 3.9Å; Y619-W659 HydrophobicContact CE2-CD2 4.31Å; Y619-W659 HydrophobicContact CE2-CE3 4.37Å; Y619-W659 HydrophobicContact CG-CH2 4.28Å; Y619-W659 HydrophobicContact CG-CZ2 4.2Å; Y619-L662 HydrophobicContact CD2-CD2 3.66Å; Y619-L662 HydrophobicContact CE2-CB 4.06Å; Y619-L662 HydrophobicContact CE2-CD2 3.56Å; Y619-L662 HydrophobicContact CE2-CG 4.45Å; Y619-L662 HydrophobicContact CG-CD2 4.34Å |
| 620 | A | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E549 V552 H616 I617 N618 K623 A624 | E549-A620 HydrophobicContact CB-CB 4.41Å; E549-A620 HydrophobicContact CG-CB 3.94Å; V552-A620 HydrophobicContact CB-CB 3.79Å; V552-A620 HydrophobicContact CG1-CB 3.75Å; V552-A620 HydrophobicContact CG2-CB 4.12Å; H616-A620 WeakPolarHBondContact O-CB 3.49Å; H616-A620 PolarHBondContact O-N 3.46Å; I617-A620 PolarHBondContact O-N 3.16Å; N618-A620 PolarHBondContact O-N 2.76Å; A620-K623 PolarHBondContact O-N 3.12Å; A620-A624 VanDerWaalsContact O-CB 3.28Å; A620-A624 WeakPolarHBondContact O-CB 3.49Å; A620-A624 PolarHBondContact O-N 3.15Å |
| 621 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V552 I556 I617 N618 Y619 A624 D625 L676 L677 | V552-A621 HydrophobicContact CG1-CB 3.91Å; I556-A621 HydrophobicContact CD1-CB 4.01Å; I556-A621 HydrophobicContact CG1-CB 4.29Å; I617-A621 VanDerWaalsContact O-CB 3.31Å; I617-A621 WeakPolarHBondContact O-CB 3.45Å; I617-A621 PolarHBondContact O-N 2.77Å; N618-A621 PolarHBondContact O-N 3.1Å; Y619-A621 VanDerWaalsContact C-N 3.34Å; Y619-A621 PolarHBondContact O-N 3.15Å; A621-A624 PolarHBondContact O-N 3.49Å; A621-D625 WeakPolarHBondContact O-CB 3.42Å; A621-D625 PolarHBondContact O-N 3.1Å; A621-L676 HydrophobicContact CB-CD1 4.33Å; A621-L677 HydrophobicContact CB-CD2 3.93Å |
| 622 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 111 | N618 Y619 D625 T626 W643 Y648 F649 L662 V666 M671 L676 | N618-V622 WeakPolarHBondContact O-CG2 3.34Å; N618-V622 PolarHBondContact O-N 2.82Å; Y619-V622 PolarHBondContact O-N 3.25Å; V622-D625 PolarHBondContact O-N 3.35Å; V622-T626 WeakPolarHBondContact O-CG2 3.32Å; V622-T626 PolarHBondContact O-N 3.31Å; V622-W643 HydrophobicContact CG1-CZ3 4.16Å; V622-W643 HydrophobicContact CG2-CH2 3.83Å; V622-W643 HydrophobicContact CG2-CZ3 3.67Å; V622-Y648 HydrophobicContact CG2-CE1 4.33Å; V622-F649 HydrophobicContact CG1-CE1 4.29Å; V622-F649 HydrophobicContact CG1-CZ 4.22Å; V622-L662 HydrophobicContact CB-CD2 4Å; V622-L662 HydrophobicContact CG1-CD1 4.28Å; V622-L662 HydrophobicContact CG1-CD2 3.8Å; V622-L662 HydrophobicContact CG1-CG 3.99Å; V622-V666 HydrophobicContact CG1-CG2 3.75Å; V622-M671 HydrophobicContact CB-CE 4.45Å; V622-M671 HydrophobicContact CG1-CE 4.04Å; V622-M671 HydrophobicContact CG1-SD 4.21Å; V622-L676 HydrophobicContact CB-CD1 4.49Å; V622-L676 HydrophobicContact CG2-CD1 3.84Å |
| 623 | K | 98.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 29.7 Ų | 29.7 | 37% | 0.37 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.7 | -176.7 | -178.1 | 178.4 | -173.8 | 0 | 112.3 | E549 Y619 A620 T626 A627 L662 | E549-K623 IonicContact OE1-NZ 2.66Å; E549-K623 PolarHBondContact OE1-NZ 3.46Å; E549-K623 IonicContact OE2-NZ 2.76Å; E549-K623 PolarHBondContact OE2-NZ 2.81Å; Y619-K623 HydrophobicContact CE1-CD 4.01Å; Y619-K623 VanDerWaalsContact O-CB 3.25Å; Y619-K623 WeakPolarHBondContact O-CB 3.42Å; Y619-K623 PolarHBondContact O-N 3Å; A620-K623 PolarHBondContact O-N 3.12Å; K623-T626 WeakPolarHBondContact O-CG2 3.45Å; K623-A627 PolarHBondContact O-N 3.25Å; K623-L662 HydrophobicContact CB-CD1 4.1Å; K623-L662 HydrophobicContact CB-CD2 4.36Å |
| 624 | A | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E553 I556 A620 A621 A627 L628 | E553-A624 HydrophobicContact CB-CB 3.92Å; E553-A624 HydrophobicContact CG-CB 4Å; I556-A624 HydrophobicContact CB-CB 4.27Å; I556-A624 HydrophobicContact CG1-CB 4.43Å; I556-A624 HydrophobicContact CG2-CB 4.35Å; A620-A624 VanDerWaalsContact O-CB 3.28Å; A620-A624 WeakPolarHBondContact O-CB 3.49Å; A620-A624 PolarHBondContact O-N 3.15Å; A621-A624 PolarHBondContact O-N 3.49Å; A624-A627 WeakPolarHBondContact O-CB 3.48Å; A624-A627 PolarHBondContact O-N 2.98Å; A624-L628 PolarHBondContact O-N 3.42Å |
| 625 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.4 | -38 | -176.1 | -164.6 | 76.9 | 0 | 0 | 0 | 113 | I556 A621 V622 A627 L628 A629 M671 R672 N673 L676 | I556-D625 HydrophobicContact CG2-CB 4.22Å; A621-D625 WeakPolarHBondContact O-CB 3.42Å; A621-D625 PolarHBondContact O-N 3.1Å; V622-D625 PolarHBondContact O-N 3.35Å; D625-A627 VanDerWaalsContact C-N 3.3Å; D625-A627 PolarHBondContact O-N 3.09Å; D625-L628 WeakPolarHBondContact O-CB 3.47Å; D625-L628 PolarHBondContact O-N 2.85Å; D625-A629 PolarHBondContact O-N 3.25Å; D625-M671 HydrophobicContact CB-CE 3.68Å; D625-M671 WeakPolarHBondContact OD2-CE 3.19Å; D625-R672 PolarHBondContact O-N 2.71Å; D625-R672 WeakPolarHBondContact OD2-CA 3.12Å; D625-R672 PolarHBondContact OD2-N 3.43Å; D625-N673 WeakPolarHBondContact OD1-CB 3.48Å; D625-N673 PolarHBondContact OD1-N 3.48Å; D625-N673 PolarHBondContact OD1-ND2 3.4Å; D625-N673 PolarHBondContact OD2-N 3.09Å; D625-L676 HydrophobicContact CB-CD1 4.23Å; D625-L676 HydrophobicContact CB-CD2 3.86Å |
| 626 | T | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | V622 K623 A629 R630 L662 T665 V666 Q669 G670 | V622-T626 WeakPolarHBondContact O-CG2 3.32Å; V622-T626 PolarHBondContact O-N 3.31Å; K623-T626 WeakPolarHBondContact O-CG2 3.45Å; T626-A629 PolarHBondContact O-N 3.39Å; T626-R630 PolarHBondContact O-N 3.39Å; T626-R630 VanDerWaalsContact O-N 3.1Å; T626-L662 HydrophobicContact CG2-CD1 4.12Å; T626-T665 HydrophobicContact CG2-CG2 4.17Å; T626-V666 HydrophobicContact CG2-CG2 4.25Å; T626-Q669 PolarHBondContact O-NE2 2.92Å; T626-Q669 PolarHBondContact OG1-NE2 3.44Å; T626-G670 WeakPolarHBondContact CA-O 3.29Å; T626-G670 WeakPolarHBondContact CB-O 3.24Å; T626-G670 PolarHBondContact OG1-O 3.21Å |
| 627 | A | 98.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | K623 A624 D625 R630 E631 | K623-A627 PolarHBondContact O-N 3.25Å; A624-A627 WeakPolarHBondContact O-CB 3.48Å; A624-A627 PolarHBondContact O-N 2.98Å; D625-A627 VanDerWaalsContact C-N 3.3Å; D625-A627 PolarHBondContact O-N 3.09Å; A627-R630 WeakPolarHBondContact O-CB 3.46Å; A627-R630 PolarHBondContact O-N 3.08Å; A627-E631 PolarHBondContact O-N 2.99Å |
| 628 | L | 97.6 | Very high | 98 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 171 | -78 | 171.2 | 0 | 0 | 0 | 112.2 | I556 R557 D560 A624 D625 R630 E631 K632 R672 | I556-L628 HydrophobicContact CG2-CD1 3.79Å; R557-L628 HydrophobicContact CB-CD1 4.32Å; R557-L628 HydrophobicContact CB-CD2 4.33Å; R557-L628 HydrophobicContact CG-CD2 4.14Å; R557-L628 VanDerWaalsContact CZ-CD2 3.45Å; R557-L628 VanDerWaalsContact NH2-CD2 3.27Å; D560-L628 HydrophobicContact CB-CD1 4.21Å; A624-L628 PolarHBondContact O-N 3.42Å; D625-L628 WeakPolarHBondContact O-CB 3.47Å; D625-L628 PolarHBondContact O-N 2.85Å; L628-R630 VanDerWaalsContact C-N 3.28Å; L628-R630 PolarHBondContact O-N 3Å; L628-E631 PolarHBondContact O-N 3.29Å; L628-E631 VanDerWaalsContact O-N 3.12Å; L628-K632 HydrophobicContact CD2-CD 4.45Å; L628-K632 PolarHBondContact O-N 2.62Å; L628-R672 HydrophobicContact CB-CB 3.72Å; L628-R672 HydrophobicContact CB-CG 3.99Å |
| 629 | A | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D625 T626 E631 G633 R634 G670 R672 | D625-A629 PolarHBondContact O-N 3.25Å; T626-A629 PolarHBondContact O-N 3.39Å; A629-E631 VanDerWaalsContact C-N 3.29Å; A629-E631 PolarHBondContact O-N 3.11Å; A629-G633 CarbonylContact O-C 3.57Å; A629-G633 VanDerWaalsContact O-C 3.29Å; A629-G633 WeakPolarHBondContact O-CA 3.4Å; A629-G633 PolarHBondContact O-N 3.27Å; A629-R634 HydrophobicContact CB-CB 4.23Å; A629-G670 WeakPolarHBondContact CB-O 3.47Å; A629-R672 HydrophobicContact CB-CB 4.24Å; A629-R672 VanDerWaalsContact CB-N 3.34Å |
| 630 | R | 97.8 | Very high | 98 | Very high | 179 Ų | 179 | 42.6 Ų | 42.6 | 68% | 0.675 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.6 | -36.2 | 174.1 | -176.4 | -179.5 | 65.5 | -177.8 | 0.8 | 112.5 | T626 A627 L628 | T626-R630 PolarHBondContact O-N 3.39Å; T626-R630 VanDerWaalsContact O-N 3.1Å; A627-R630 WeakPolarHBondContact O-CB 3.46Å; A627-R630 PolarHBondContact O-N 3.08Å; L628-R630 VanDerWaalsContact C-N 3.28Å; L628-R630 PolarHBondContact O-N 3Å |
| 631 | E | 96 | Very high | 98 | Very high | 100 Ų | 100 | 42.5 Ų | 42.5 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -82.5 | -51.2 | -178.3 | -177.4 | -174 | 126.7 | 0 | 0 | 113.3 | R557 A627 L628 A629 | R557-E631 IonicContact CZ-OE1 3.8Å; R557-E631 IonicContact CZ-OE2 2.65Å; R557-E631 IonicContact NH1-OE1 2.65Å; R557-E631 PolarHBondContact NH1-OE1 3.19Å; R557-E631 IonicContact NH1-OE2 3.21Å; R557-E631 IonicContact NH2-OE1 3.84Å; R557-E631 PolarHBondContact NH2-OE1 3.47Å; R557-E631 IonicContact NH2-OE2 3.69Å; R557-E631 PolarHBondContact NH2-OE2 3.08Å; A627-E631 PolarHBondContact O-N 2.99Å; L628-E631 PolarHBondContact O-N 3.29Å; L628-E631 VanDerWaalsContact O-N 3.12Å; A629-E631 VanDerWaalsContact C-N 3.29Å; A629-E631 PolarHBondContact O-N 3.11Å |
| 632 | K | 95.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -107.9 | -1.8 | -169.6 | -62.2 | -173.2 | 179 | 179 | 0 | 113.4 | E235 R557 D560 N561 L628 R672 | E235-K632 IonicContact OE1-NZ 2.66Å; E235-K632 PolarHBondContact OE1-NZ 3.13Å; E235-K632 IonicContact OE2-NZ 2.98Å; R557-K632 VanDerWaalsContact NH1-CE 3.29Å; D560-K632 IonicContact OD2-NZ 3.21Å; N561-K632 PolarHBondContact OD1-NZ 3.4Å; L628-K632 HydrophobicContact CD2-CD 4.45Å; L628-K632 PolarHBondContact O-N 2.62Å; K632-R672 PolarHBondContact O-NH1 3.01Å |
| 633 | G | 96.8 | Very high | 97.9 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | trans | 89.2 | 151.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A629 R672 | A629-G633 CarbonylContact O-C 3.57Å; A629-G633 VanDerWaalsContact O-C 3.29Å; A629-G633 WeakPolarHBondContact O-CA 3.4Å; A629-G633 PolarHBondContact O-N 3.27Å; G633-R672 WeakPolarHBondContact O-CD 3.48Å; G633-R672 PolarHBondContact O-NH1 2.86Å | ||
| 634 | R | 97.7 | Very high | 97.9 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | trans | -75.3 | 157.5 | 176.5 | 65.2 | -169.8 | 179.6 | 165.9 | 7.9 | 113.3 | A629 F638 E639 M671 | A629-R634 HydrophobicContact CB-CB 4.23Å; R634-F638 HydrophobicContact CB-CB 4.48Å; R634-F638 HydrophobicContact CG-CB 4.39Å; R634-E639 IonicContact CZ-OE1 3.76Å; R634-E639 IonicContact NH1-OE1 3.36Å; R634-E639 PolarHBondContact NH1-OE1 3.38Å; R634-E639 IonicContact NH2-OE1 3.67Å; R634-E639 PolarHBondContact NH2-OE1 3.04Å; R634-M671 CarbonylContact C-O 3.19Å; R634-M671 WeakPolarHBondContact CA-O 3.44Å; R634-M671 WeakPolarHBondContact CB-O 3.1Å | ||
| 635 | Y | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | trans | -65.8 | 158.3 | 175.7 | 71.8 | -83.1 | 0 | 0 | 0 | 112.3 | N480 L637 F638 S641 M671 R672 A674 | N480-Y635 WeakPolarHBondContact OD1-CE2 3.48Å; N480-Y635 PolarHBondContact OD1-OH 3.02Å; Y635-L637 VanDerWaalsContact C-N 3.3Å; Y635-L637 HydrophobicContact CD2-CB 4.03Å; Y635-L637 HydrophobicContact CE2-CB 3.83Å; Y635-L637 PolarHBondContact O-N 2.93Å; Y635-F638 HydrophobicContact CD1-CB 4.16Å; Y635-F638 HydrophobicContact CE1-CB 3.81Å; Y635-F638 AromaticContact CE1-CD2 3.72Å; Y635-F638 HydrophobicContact CE1-CD2 3.72Å; Y635-F638 HydrophobicContact CE1-CG 4.27Å; Y635-F638 HydrophobicContact CE2-CB 4.24Å; Y635-F638 HydrophobicContact CG-CB 4.49Å; Y635-F638 WeakPolarHBondContact O-CB 3.33Å; Y635-F638 PolarHBondContact O-N 2.8Å; Y635-F638 WeakPolarHBondContact OH-CA 3.16Å; Y635-S641 WeakPolarHBondContact OH-CB 3.45Å; Y635-S641 PolarHBondContact OH-OG 3.04Å; Y635-M671 HydrophobicContact CD1-CB 4.29Å; Y635-M671 VanDerWaalsContact CD1-O 3.27Å; Y635-M671 WeakPolarHBondContact CD1-O 3.37Å; Y635-M671 HydrophobicContact CE1-CB 3.98Å; Y635-M671 PolarHBondContact N-O 2.84Å; Y635-R672 WeakPolarHBondContact CB-O 3.47Å; Y635-A674 HydrophobicContact CD1-CB 4.26Å; Y635-A674 HydrophobicContact CD2-CB 3.76Å; Y635-A674 HydrophobicContact CE1-CB 4.16Å; Y635-A674 HydrophobicContact CE2-CB 3.62Å; Y635-A674 HydrophobicContact CG-CB 4.11Å | ||
| 636 | A | 97.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 46 Ų | 46 | 66% | 0.661 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K579 | K579-A636 PolarHBondContact O-N 3.44Š|
| 637 | L | 97.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 17.4 | -175 | -61.2 | 177.8 | 0 | 0 | 0 | 113.3 | H482 T483 K579 Y580 Y635 E639 | H482-L637 PolarHBondContact CE1-O 2.68Å; H482-L637 PolarHBondContact NE2-O 2.94Å; T483-L637 HydrophobicContact CG2-CB 4.44Å; T483-L637 HydrophobicContact CG2-CD1 4.43Å; T483-L637 HydrophobicContact CG2-CD2 4.21Å; K579-L637 HydrophobicContact CD-CD1 3.72Å; K579-L637 HydrophobicContact CD-CG 4.28Å; K579-L637 HydrophobicContact CG-CD1 3.79Å; K579-L637 HydrophobicContact CG-CG 3.96Å; Y580-L637 HydrophobicContact CD1-CD1 4.11Å; Y580-L637 HydrophobicContact CD2-CD1 4.46Å; Y580-L637 HydrophobicContact CE1-CD1 3.52Å; Y580-L637 HydrophobicContact CE2-CD1 3.91Å; Y635-L637 VanDerWaalsContact C-N 3.3Å; Y635-L637 HydrophobicContact CD2-CB 4.03Å; Y635-L637 HydrophobicContact CE2-CB 3.83Å; Y635-L637 PolarHBondContact O-N 2.93Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.42Å |
| 638 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | trans | -60.4 | -38 | -176.8 | 175.3 | -97.4 | 0 | 0 | 0 | 113.7 | R634 Y635 G640 S641 W643 Q644 V666 G670 M671 | R634-F638 HydrophobicContact CB-CB 4.48Å; R634-F638 HydrophobicContact CG-CB 4.39Å; Y635-F638 HydrophobicContact CD1-CB 4.16Å; Y635-F638 HydrophobicContact CE1-CB 3.81Å; Y635-F638 AromaticContact CE1-CD2 3.72Å; Y635-F638 HydrophobicContact CE1-CD2 3.72Å; Y635-F638 HydrophobicContact CE1-CG 4.27Å; Y635-F638 HydrophobicContact CE2-CB 4.24Å; Y635-F638 HydrophobicContact CG-CB 4.49Å; Y635-F638 WeakPolarHBondContact O-CB 3.33Å; Y635-F638 PolarHBondContact O-N 2.8Å; Y635-F638 WeakPolarHBondContact OH-CA 3.16Å; F638-G640 PolarHBondContact O-N 3.46Å; F638-S641 VanDerWaalsContact O-CB 3.25Å; F638-S641 WeakPolarHBondContact O-CB 3.35Å; F638-S641 PolarHBondContact O-N 3.21Å; F638-S641 VanDerWaalsContact O-N 3.08Å; F638-S641 PolarHBondContact O-OG 2.99Å; F638-W643 HydrophobicContact CD2-CB 4.26Å; F638-W643 HydrophobicContact CE2-CB 3.71Å; F638-Q644 HydrophobicContact CD1-CB 4.29Å; F638-Q644 HydrophobicContact CD1-CG 4.47Å; F638-Q644 HydrophobicContact CE1-CB 3.64Å; F638-Q644 HydrophobicContact CE1-CG 3.67Å; F638-Q644 HydrophobicContact CE2-CB 4.11Å; F638-Q644 HydrophobicContact CZ-CB 3.51Å; F638-Q644 HydrophobicContact CZ-CG 3.91Å; F638-V666 HydrophobicContact CE2-CG1 4.35Å; F638-V666 WeakPolarHBondContact CZ-O 2.86Å; F638-G670 VanDerWaalsContact CZ-CA 3.47Å; F638-M671 HydrophobicContact CD2-CB 4.23Å; F638-M671 HydrophobicContact CD2-CG 4.45Å; F638-M671 HydrophobicContact CE2-CB 4.31Å; F638-M671 HydrophobicContact CE2-CG 4.08Å | ||
| 639 | E | 98.1 | Very high | 97.9 | Very high | 100 Ų | 100 | 44.9 Ų | 44.9 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.9 | 178.3 | -66 | -68.6 | 156.4 | 0 | 0 | 110.7 | H482 R634 L637 S641 Q644 | H482-E639 PolarHBondContact CD2-O 3.18Å; H482-E639 PolarHBondContact NE2-O 3.03Å; R634-E639 IonicContact CZ-OE1 3.76Å; R634-E639 IonicContact NH1-OE1 3.36Å; R634-E639 PolarHBondContact NH1-OE1 3.38Å; R634-E639 IonicContact NH2-OE1 3.67Å; R634-E639 PolarHBondContact NH2-OE1 3.04Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.42Å; E639-S641 VanDerWaalsContact C-N 3.34Å; E639-Q644 VanDerWaalsContact CA-OE1 3.29Å; E639-Q644 VanDerWaalsContact CD-NE2 3.34Å; E639-Q644 PolarHBondContact OE2-NE2 2.95Å; E639-Q644 PolarHBondContact OE2-OE1 3.43Å |
| 640 | G | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -4.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H482 F638 | H482-G640 WeakPolarHBondContact CB-O 3.39Å; H482-G640 PolarHBondContact CD2-O 3.19Å; H482-G640 VanDerWaalsContact CG-O 3.28Å; F638-G640 PolarHBondContact O-N 3.46Å |
| 641 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -70.2 | 161.9 | -179.5 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | H482 Y635 F638 E639 W643 Q644 T645 | H482-S641 VanDerWaalsContact CE1-CA 3.5Å; H482-S641 WeakPolarHBondContact CE1-CA 2.9Å; H482-S641 PolarHBondContact NE2-N 3.1Å; Y635-S641 WeakPolarHBondContact OH-CB 3.45Å; Y635-S641 PolarHBondContact OH-OG 3.04Å; F638-S641 VanDerWaalsContact O-CB 3.25Å; F638-S641 WeakPolarHBondContact O-CB 3.35Å; F638-S641 PolarHBondContact O-N 3.21Å; F638-S641 VanDerWaalsContact O-N 3.08Å; F638-S641 PolarHBondContact O-OG 2.99Å; E639-S641 VanDerWaalsContact C-N 3.34Å; S641-W643 PolarHBondContact O-N 3.46Å; S641-W643 WeakPolarHBondContact OG-CB 3.41Å; S641-W643 PolarHBondContact OG-N 3.44Å; S641-Q644 PolarHBondContact O-N 3.47Å; S641-Q644 VanDerWaalsContact O-N 3.15Å; S641-Q644 PolarHBondContact OG-N 3.27Å; S641-T645 WeakPolarHBondContact O-CG2 3.4Å; S641-T645 PolarHBondContact O-N 3.06Å; S641-T645 PolarHBondContact O-OG1 2.77Å |
| 642 | D | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -27.1 | 171.4 | -80.3 | 5.3 | 0 | 0 | 0 | 112.1 | P479 T645 G646 A647 Y648 K651 | P479-D642 HydrophobicContact CB-CB 4.29Å; P479-D642 WeakPolarHBondContact O-CB 3.47Å; P479-D642 PolarHBondContact O-N 3.13Å; D642-T645 WeakPolarHBondContact CA-OG1 3.4Å; D642-G646 CarbonylContact O-C 3.29Å; D642-G646 PolarHBondContact O-N 3.18Å; D642-A647 HydrophobicContact CB-CB 4.17Å; D642-A647 PolarHBondContact O-N 2.66Å; D642-Y648 WeakPolarHBondContact O-CB 3.45Å; D642-Y648 PolarHBondContact O-N 2.79Å; D642-K651 VanDerWaalsContact CG-NZ 3.35Å; D642-K651 IonicContact OD1-NZ 3.86Å; D642-K651 PolarHBondContact OD1-NZ 3.41Å; D642-K651 WeakPolarHBondContact OD2-CE 3.34Å; D642-K651 IonicContact OD2-NZ 2.94Å; D642-K651 PolarHBondContact OD2-NZ 2.81Å |
| 643 | W | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.8 | -63.1 | 115.2 | 0 | 0 | 0 | 111 | P479 V622 F638 S641 Y648 F649 V666 M671 A674 L676 | P479-W643 HydrophobicContact CB-CZ2 4.27Å; P479-W643 HydrophobicContact CG-CZ2 4.46Å; V622-W643 HydrophobicContact CG1-CZ3 4.16Å; V622-W643 HydrophobicContact CG2-CH2 3.83Å; V622-W643 HydrophobicContact CG2-CZ3 3.67Å; F638-W643 HydrophobicContact CD2-CB 4.26Å; F638-W643 HydrophobicContact CE2-CB 3.71Å; S641-W643 PolarHBondContact O-N 3.46Å; S641-W643 WeakPolarHBondContact OG-CB 3.41Å; S641-W643 PolarHBondContact OG-N 3.44Å; W643-Y648 HydrophobicContact CD2-CD2 4.28Å; W643-Y648 HydrophobicContact CD2-CG 4.27Å; W643-Y648 AromaticContact CE3-CD1 3.78Å; W643-Y648 HydrophobicContact CE3-CD1 3.78Å; W643-Y648 AromaticContact CE3-CD2 3.99Å; W643-Y648 HydrophobicContact CE3-CD2 3.99Å; W643-Y648 HydrophobicContact CE3-CE1 4.25Å; W643-Y648 HydrophobicContact CE3-CE2 4.43Å; W643-Y648 AromaticContact CE3-CG 3.64Å; W643-Y648 HydrophobicContact CE3-CG 3.64Å; W643-Y648 AromaticContact CH2-CD1 3.89Å; W643-Y648 HydrophobicContact CH2-CD1 3.89Å; W643-Y648 AromaticContact CH2-CD2 3.61Å; W643-Y648 HydrophobicContact CH2-CD2 3.61Å; W643-Y648 AromaticContact CH2-CE1 3.53Å; W643-Y648 HydrophobicContact CH2-CE1 3.53Å; W643-Y648 AromaticContact CH2-CE2 3.22Å; W643-Y648 HydrophobicContact CH2-CE2 3.22Å; W643-Y648 AromaticContact CH2-CG 3.93Å; W643-Y648 HydrophobicContact CH2-CG 3.93Å; W643-Y648 AromaticContact CH2-CZ 3.18Å; W643-Y648 AromaticContact CZ2-CD2 3.89Å; W643-Y648 HydrophobicContact CZ2-CD2 3.89Å; W643-Y648 AromaticContact CZ2-CE2 3.65Å; W643-Y648 HydrophobicContact CZ2-CE2 3.65Å; W643-Y648 HydrophobicContact CZ2-CG 4.5Å; W643-Y648 AromaticContact CZ3-CD1 3.25Å; W643-Y648 HydrophobicContact CZ3-CD1 3.25Å; W643-Y648 AromaticContact CZ3-CD2 3.66Å; W643-Y648 HydrophobicContact CZ3-CD2 3.66Å; W643-Y648 AromaticContact CZ3-CE1 3.26Å; W643-Y648 HydrophobicContact CZ3-CE1 3.26Å; W643-Y648 AromaticContact CZ3-CE2 3.67Å; W643-Y648 HydrophobicContact CZ3-CE2 3.67Å; W643-Y648 AromaticContact CZ3-CG 3.45Å; W643-Y648 HydrophobicContact CZ3-CG 3.45Å; W643-Y648 VanDerWaalsContact CZ3-CG 3.45Å; W643-Y648 AromaticContact CZ3-CZ 3.49Å; W643-Y648 VanDerWaalsContact CZ3-CZ 3.49Å; W643-F649 HydrophobicContact CE3-CZ 4.45Å; W643-V666 HydrophobicContact CB-CG1 4.06Å; W643-V666 WeakPolarHBondContact O-CG1 3.43Å; W643-M671 HydrophobicContact CB-CG 3.91Å; W643-M671 HydrophobicContact CD2-CE 4.33Å; W643-M671 HydrophobicContact CD2-CG 3.98Å; W643-M671 HydrophobicContact CE3-CE 4.15Å; W643-M671 HydrophobicContact CE3-CG 4.25Å; W643-M671 HydrophobicContact CE3-SD 4.46Å; W643-M671 HydrophobicContact CG-CG 3.85Å; W643-M671 HydrophobicContact CH2-CE 4.25Å; W643-M671 HydrophobicContact CZ2-CE 4.45Å; W643-M671 HydrophobicContact CZ3-CE 4.1Å; W643-A674 PolarHBondContact NE1-O 3.16Å; W643-L676 HydrophobicContact CH2-CD1 4.01Å; W643-L676 HydrophobicContact CZ2-CD1 4.31Å; W643-L676 HydrophobicContact CZ2-CG 4.34Å |
| 644 | Q | 98.5 | Very high | 98 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.5 | -44.4 | -179.6 | -172.4 | -170.1 | 26.3 | 0 | 0 | 112.2 | F638 E639 S641 G646 | F638-Q644 HydrophobicContact CD1-CB 4.29Å; F638-Q644 HydrophobicContact CD1-CG 4.47Å; F638-Q644 HydrophobicContact CE1-CB 3.64Å; F638-Q644 HydrophobicContact CE1-CG 3.67Å; F638-Q644 HydrophobicContact CE2-CB 4.11Å; F638-Q644 HydrophobicContact CZ-CB 3.51Å; F638-Q644 HydrophobicContact CZ-CG 3.91Å; E639-Q644 VanDerWaalsContact CA-OE1 3.29Å; E639-Q644 VanDerWaalsContact CD-NE2 3.34Å; E639-Q644 PolarHBondContact OE2-NE2 2.95Å; E639-Q644 PolarHBondContact OE2-OE1 3.43Å; S641-Q644 PolarHBondContact O-N 3.47Å; S641-Q644 VanDerWaalsContact O-N 3.15Å; S641-Q644 PolarHBondContact OG-N 3.27Å; Q644-G646 PolarHBondContact O-N 3.24Å |
| 645 | T | 98.1 | Very high | 98 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -75.2 | -13.8 | -173.6 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | S641 D642 A647 | S641-T645 WeakPolarHBondContact O-CG2 3.4Å; S641-T645 PolarHBondContact O-N 3.06Å; S641-T645 PolarHBondContact O-OG1 2.77Å; D642-T645 WeakPolarHBondContact CA-OG1 3.4Å; T645-A647 VanDerWaalsContact C-N 3.26Å |
| 646 | G | 98.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 87 | -11 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D642 Q644 Y648 F649 E650 | D642-G646 CarbonylContact O-C 3.29Å; D642-G646 PolarHBondContact O-N 3.18Å; Q644-G646 PolarHBondContact O-N 3.24Å; G646-Y648 PolarHBondContact O-N 2.75Å; G646-Y648 VanDerWaalsContact O-N 3.09Å; G646-F649 PolarHBondContact O-N 3.44Å; G646-E650 PolarHBondContact O-N 2.77Å |
| 647 | A | 98.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -28.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D642 T645 F649 E650 K651 | D642-A647 HydrophobicContact CB-CB 4.17Å; D642-A647 PolarHBondContact O-N 2.66Å; T645-A647 VanDerWaalsContact C-N 3.26Å; A647-F649 VanDerWaalsContact C-N 3.26Å; A647-F649 PolarHBondContact O-N 3.46Å; A647-E650 PolarHBondContact O-N 2.96Å; A647-K651 WeakPolarHBondContact O-CB 3.23Å; A647-K651 WeakPolarHBondContact O-CD 3.39Å; A647-K651 WeakPolarHBondContact O-CG 3.47Å; A647-K651 PolarHBondContact O-N 2.94Å |
| 648 | Y | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.4 | -44.6 | 175.3 | 177.6 | -93.9 | 0 | 0 | 0 | 111.7 | P479 N618 V622 D642 W643 G646 R652 Y654 D750 | P479-Y648 HydrophobicContact CB-CD2 4.17Å; N618-Y648 PolarHBondContact OD1-OH 3.07Å; V622-Y648 HydrophobicContact CG2-CE1 4.33Å; D642-Y648 WeakPolarHBondContact O-CB 3.45Å; D642-Y648 PolarHBondContact O-N 2.79Å; W643-Y648 HydrophobicContact CD2-CD2 4.28Å; W643-Y648 HydrophobicContact CD2-CG 4.27Å; W643-Y648 AromaticContact CE3-CD1 3.78Å; W643-Y648 HydrophobicContact CE3-CD1 3.78Å; W643-Y648 AromaticContact CE3-CD2 3.99Å; W643-Y648 HydrophobicContact CE3-CD2 3.99Å; W643-Y648 HydrophobicContact CE3-CE1 4.25Å; W643-Y648 HydrophobicContact CE3-CE2 4.43Å; W643-Y648 AromaticContact CE3-CG 3.64Å; W643-Y648 HydrophobicContact CE3-CG 3.64Å; W643-Y648 AromaticContact CH2-CD1 3.89Å; W643-Y648 HydrophobicContact CH2-CD1 3.89Å; W643-Y648 AromaticContact CH2-CD2 3.61Å; W643-Y648 HydrophobicContact CH2-CD2 3.61Å; W643-Y648 AromaticContact CH2-CE1 3.53Å; W643-Y648 HydrophobicContact CH2-CE1 3.53Å; W643-Y648 AromaticContact CH2-CE2 3.22Å; W643-Y648 HydrophobicContact CH2-CE2 3.22Å; W643-Y648 AromaticContact CH2-CG 3.93Å; W643-Y648 HydrophobicContact CH2-CG 3.93Å; W643-Y648 AromaticContact CH2-CZ 3.18Å; W643-Y648 AromaticContact CZ2-CD2 3.89Å; W643-Y648 HydrophobicContact CZ2-CD2 3.89Å; W643-Y648 AromaticContact CZ2-CE2 3.65Å; W643-Y648 HydrophobicContact CZ2-CE2 3.65Å; W643-Y648 HydrophobicContact CZ2-CG 4.5Å; W643-Y648 AromaticContact CZ3-CD1 3.25Å; W643-Y648 HydrophobicContact CZ3-CD1 3.25Å; W643-Y648 AromaticContact CZ3-CD2 3.66Å; W643-Y648 HydrophobicContact CZ3-CD2 3.66Å; W643-Y648 AromaticContact CZ3-CE1 3.26Å; W643-Y648 HydrophobicContact CZ3-CE1 3.26Å; W643-Y648 AromaticContact CZ3-CE2 3.67Å; W643-Y648 HydrophobicContact CZ3-CE2 3.67Å; W643-Y648 AromaticContact CZ3-CG 3.45Å; W643-Y648 HydrophobicContact CZ3-CG 3.45Å; W643-Y648 VanDerWaalsContact CZ3-CG 3.45Å; W643-Y648 AromaticContact CZ3-CZ 3.49Å; W643-Y648 VanDerWaalsContact CZ3-CZ 3.49Å; G646-Y648 PolarHBondContact O-N 2.75Å; G646-Y648 VanDerWaalsContact O-N 3.09Å; Y648-R652 VanDerWaalsContact CE2-NH1 3.33Å; Y648-R652 WeakPolarHBondContact O-CD 3.49Å; Y648-R652 WeakPolarHBondContact O-CG 3.33Å; Y648-R652 PolarHBondContact O-NH1 3.27Å; Y648-Y654 HydrophobicContact CE1-CE2 4.28Å; Y648-D750 HydrophobicContact CE2-CB 3.85Å |
| 649 | F | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.6 | -41 | -175.6 | -54.5 | -87.2 | 0 | 0 | 0 | 111.1 | V622 W643 G646 A647 R652 G653 Y654 W659 A663 V666 | V622-F649 HydrophobicContact CG1-CE1 4.29Å; V622-F649 HydrophobicContact CG1-CZ 4.22Å; W643-F649 HydrophobicContact CE3-CZ 4.45Å; G646-F649 PolarHBondContact O-N 3.44Å; A647-F649 VanDerWaalsContact C-N 3.26Å; A647-F649 PolarHBondContact O-N 3.46Å; F649-R652 PolarHBondContact O-N 3.49Å; F649-G653 PolarHBondContact O-N 3.29Å; F649-Y654 HydrophobicContact CD1-CD2 4.18Å; F649-Y654 PolarHBondContact O-N 3.21Å; F649-W659 AromaticContact CD1-CE3 3.75Å; F649-W659 HydrophobicContact CD1-CE3 3.75Å; F649-W659 HydrophobicContact CD1-CZ3 4.11Å; F649-W659 AromaticContact CE1-CE3 3.87Å; F649-W659 HydrophobicContact CE1-CE3 3.87Å; F649-W659 AromaticContact CE1-CZ3 3.95Å; F649-W659 HydrophobicContact CE1-CZ3 3.95Å; F649-A663 HydrophobicContact CB-CB 4.47Å; F649-A663 HydrophobicContact CD1-CB 4.05Å; F649-A663 HydrophobicContact CD2-CB 3.47Å; F649-A663 VanDerWaalsContact CD2-CB 3.47Å; F649-A663 HydrophobicContact CE1-CB 4.12Å; F649-A663 HydrophobicContact CE2-CB 3.56Å; F649-A663 HydrophobicContact CG-CB 3.73Å; F649-A663 HydrophobicContact CZ-CB 3.89Å; F649-V666 HydrophobicContact CE2-CB 4.49Å; F649-V666 HydrophobicContact CE2-CG1 4.49Å; F649-V666 HydrophobicContact CZ-CB 4.23Å; F649-V666 HydrophobicContact CZ-CG1 4.45Å; F649-V666 HydrophobicContact CZ-CG2 4.11Å |
| 650 | E | 98.1 | Very high | 97.9 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 72% | 0.715 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61 | -50 | 177.3 | -66.2 | 178.5 | 174.7 | 0 | 0 | 111.9 | G646 A647 R652 G653 | G646-E650 PolarHBondContact O-N 2.77Å; A647-E650 PolarHBondContact O-N 2.96Å; E650-R652 PolarHBondContact O-N 3.3Å; E650-G653 PolarHBondContact O-N 3.28Å |
| 651 | K | 97.1 | Very high | 98 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21 | 179.4 | -71.5 | 171.2 | -177.1 | -179 | 0 | 113.4 | R476 M477 D642 A647 | R476-K651 PolarHBondContact O-NZ 3.2Å; R476-K651 VanDerWaalsContact O-NZ 3.12Å; M477-K651 HydrophobicContact CE-CB 4.43Å; M477-K651 HydrophobicContact SD-CB 4.2Å; D642-K651 VanDerWaalsContact CG-NZ 3.35Å; D642-K651 IonicContact OD1-NZ 3.86Å; D642-K651 PolarHBondContact OD1-NZ 3.41Å; D642-K651 WeakPolarHBondContact OD2-CE 3.34Å; D642-K651 IonicContact OD2-NZ 2.94Å; D642-K651 PolarHBondContact OD2-NZ 2.81Å; A647-K651 WeakPolarHBondContact O-CB 3.23Å; A647-K651 WeakPolarHBondContact O-CD 3.39Å; A647-K651 WeakPolarHBondContact O-CG 3.47Å; A647-K651 PolarHBondContact O-N 2.94Å |
| 652 | R | 97.4 | Very high | 98 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -1.8 | -178.5 | -66.3 | 173.6 | 174.8 | 69 | 2.1 | 113.3 | M477 Y648 F649 E650 Y654 R747 | M477-R652 HydrophobicContact CE-CG 3.7Å; M477-R652 PolarHBondContact O-NH2 3.35Å; Y648-R652 VanDerWaalsContact CE2-NH1 3.33Å; Y648-R652 WeakPolarHBondContact O-CD 3.49Å; Y648-R652 WeakPolarHBondContact O-CG 3.33Å; Y648-R652 PolarHBondContact O-NH1 3.27Å; F649-R652 PolarHBondContact O-N 3.49Å; E650-R652 PolarHBondContact O-N 3.3Å; R652-Y654 VanDerWaalsContact C-N 3.32Å; R652-Y654 HydrophobicContact CB-CD1 4.45Å; R652-Y654 HydrophobicContact CB-CD2 3.74Å; R652-Y654 HydrophobicContact CB-CE1 4.29Å; R652-Y654 HydrophobicContact CB-CE2 3.55Å; R652-Y654 HydrophobicContact CB-CG 4.17Å; R652-Y654 HydrophobicContact CG-CE2 4.17Å; R652-R747 HydrophobicContact CB-CG 4.29Å; R652-R747 WeakPolarHBondContact CD-O 3.4Å; R652-R747 HydrophobicContact CG-CG 4.48Å; R652-R747 VanDerWaalsContact CG-O 3.3Å; R652-R747 WeakPolarHBondContact CG-O 3.29Å; R652-R747 PolarHBondContact NE-O 3.28Å; R652-R747 VanDerWaalsContact NE-O 3.13Å; R652-R747 PolarHBondContact O-NH1 2.86Å |
| 653 | G | 96.7 | Very high | 98 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 23.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F649 E650 T655 | F649-G653 PolarHBondContact O-N 3.29Å; E650-G653 PolarHBondContact O-N 3.28Å; G653-T655 VanDerWaalsContact C-N 3.29Å; G653-T655 PolarHBondContact O-N 2.98Å |
| 654 | Y | 98 | Very high | 98 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | trans | -76.7 | 78.2 | -179.2 | -67 | -33.7 | 0 | 0 | 0 | 111.9 | E615 N618 Y648 F649 R652 W659 H748 | E615-Y654 HydrophobicContact CG-CE1 4.06Å; N618-Y654 WeakPolarHBondContact ND2-CE2 3.21Å; N618-Y654 PolarHBondContact ND2-OH 3.3Å; Y648-Y654 HydrophobicContact CE1-CE2 4.28Å; F649-Y654 HydrophobicContact CD1-CD2 4.18Å; F649-Y654 PolarHBondContact O-N 3.21Å; R652-Y654 VanDerWaalsContact C-N 3.32Å; R652-Y654 HydrophobicContact CB-CD1 4.45Å; R652-Y654 HydrophobicContact CB-CD2 3.74Å; R652-Y654 HydrophobicContact CB-CE1 4.29Å; R652-Y654 HydrophobicContact CB-CE2 3.55Å; R652-Y654 HydrophobicContact CB-CG 4.17Å; R652-Y654 HydrophobicContact CG-CE2 4.17Å; Y654-W659 HydrophobicContact CD1-CD2 4.11Å; Y654-W659 AromaticContact CD1-CE2 3.68Å; Y654-W659 HydrophobicContact CD1-CG 4.32Å; Y654-W659 HydrophobicContact CD1-CZ2 4.07Å; Y654-W659 AromaticContact CD1-NE1 3.63Å; Y654-W659 AromaticContact CD2-CD2 3.96Å; Y654-W659 HydrophobicContact CD2-CD2 3.96Å; Y654-W659 AromaticContact CD2-CE3 3.89Å; Y654-W659 HydrophobicContact CD2-CE3 3.89Å; Y654-W659 HydrophobicContact CD2-CH2 4.09Å; Y654-W659 HydrophobicContact CD2-CZ2 4.14Å; Y654-W659 AromaticContact CD2-CZ3 3.96Å; Y654-W659 HydrophobicContact CD2-CZ3 3.96Å; Y654-W659 AromaticContact CE1-CE2 3.96Å; Y654-W659 AromaticContact CE1-CZ2 3.88Å; Y654-W659 HydrophobicContact CE1-CZ2 3.88Å; Y654-W659 HydrophobicContact CE2-CE3 4.46Å; Y654-W659 AromaticContact CE2-CH2 3.83Å; Y654-W659 HydrophobicContact CE2-CH2 3.83Å; Y654-W659 AromaticContact CE2-CZ2 3.96Å; Y654-W659 HydrophobicContact CE2-CZ2 3.96Å; Y654-W659 HydrophobicContact CE2-CZ3 4.09Å; Y654-W659 AromaticContact CG-CD2 3.71Å; Y654-W659 HydrophobicContact CG-CD2 3.71Å; Y654-W659 AromaticContact CG-CE2 3.76Å; Y654-W659 HydrophobicContact CG-CE3 4.11Å; Y654-W659 AromaticContact CG-CG 3.98Å; Y654-W659 HydrophobicContact CG-CG 3.98Å; Y654-W659 HydrophobicContact CG-CZ2 4.22Å; Y654-W659 AromaticContact CZ-CZ2 3.81Å; Y654-H748 AromaticContact CE1-ND1 3.76Å; Y654-H748 AromaticContact CZ-ND1 3.68Å; Y654-H748 WeakPolarHBondContact OH-CA 3.23Å; Y654-H748 PolarHBondContact OH-ND1 3.44Å | ||
| 655 | T | 95.9 | Very high | 98 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | trans | -101.4 | -6.7 | -170.6 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | G653 R660 | G653-T655 VanDerWaalsContact C-N 3.29Å; G653-T655 PolarHBondContact O-N 2.98Å; T655-R660 PolarHBondContact O-NE 3.31Å; T655-R660 PolarHBondContact O-NH2 3.38Å | ||
| 656 | S | 97.1 | Very high | 98 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -65.8 | 158.3 | 178.3 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | K658 W659 R660 | S656-K658 VanDerWaalsContact C-N 3.34Å; S656-K658 PolarHBondContact O-N 3.2Å; S656-K658 VanDerWaalsContact OG-CG 3.22Å; S656-K658 WeakPolarHBondContact OG-CG 3.17Å; S656-W659 PolarHBondContact O-N 3.03Å; S656-W659 VanDerWaalsContact O-N 3.11Å; S656-R660 PolarHBondContact O-N 2.8Å |
| 657 | E | 97.9 | Very high | 98 | Very high | 172 Ų | 172 | 56 Ų | 56 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.7 | -44.6 | 178.5 | -172.8 | 177.5 | -179.8 | 0 | 0 | 112.8 | W659 R660 A661 | E657-W659 PolarHBondContact O-N 2.73Å; E657-R660 PolarHBondContact O-N 3.47Å; E657-A661 PolarHBondContact O-N 2.78Å |
| 658 | K | 97.6 | Very high | 97.9 | Very high | 84 Ų | 84 | 61 Ų | 61 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -38 | 177.9 | 65.5 | 170.5 | -175.3 | 178.7 | 0 | 112.8 | E615 Y619 S656 L662 | E615-K658 IonicContact OE1-NZ 2.77Å; Y619-K658 HydrophobicContact CD2-CD 4.49Å; Y619-K658 HydrophobicContact CE2-CB 4.13Å; Y619-K658 HydrophobicContact CE2-CD 4.25Å; Y619-K658 HydrophobicContact CE2-CG 4.17Å; Y619-K658 WeakPolarHBondContact CE2-O 3.39Å; Y619-K658 PolarHBondContact OH-O 3Å; S656-K658 VanDerWaalsContact C-N 3.34Å; S656-K658 PolarHBondContact O-N 3.2Å; S656-K658 VanDerWaalsContact OG-CG 3.22Å; S656-K658 WeakPolarHBondContact OG-CG 3.17Å; K658-L662 WeakPolarHBondContact O-CB 3.31Å; K658-L662 PolarHBondContact O-N 3.27Å |
| 659 | W | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -78.2 | -37.5 | -178.9 | -83.9 | 117.7 | 0 | 0 | 0 | 112 | E615 N618 Y619 F649 Y654 S656 E657 L662 A663 | E615-W659 HydrophobicContact CG-CZ2 3.97Å; E615-W659 PolarHBondContact OE1-NE1 3.29Å; N618-W659 HydrophobicContact CB-CH2 4.44Å; N618-W659 WeakPolarHBondContact ND2-CH2 3.36Å; Y619-W659 AromaticContact CD2-CD2 3.74Å; Y619-W659 HydrophobicContact CD2-CD2 3.74Å; Y619-W659 AromaticContact CD2-CE2 3.71Å; Y619-W659 AromaticContact CD2-CE3 3.83Å; Y619-W659 HydrophobicContact CD2-CE3 3.83Å; Y619-W659 HydrophobicContact CD2-CG 4.42Å; Y619-W659 AromaticContact CD2-CH2 3.88Å; Y619-W659 HydrophobicContact CD2-CH2 3.88Å; Y619-W659 AromaticContact CD2-CZ2 3.8Å; Y619-W659 HydrophobicContact CD2-CZ2 3.8Å; Y619-W659 AromaticContact CD2-CZ3 3.9Å; Y619-W659 HydrophobicContact CD2-CZ3 3.9Å; Y619-W659 HydrophobicContact CE2-CD2 4.31Å; Y619-W659 HydrophobicContact CE2-CE3 4.37Å; Y619-W659 HydrophobicContact CG-CH2 4.28Å; Y619-W659 HydrophobicContact CG-CZ2 4.2Å; F649-W659 AromaticContact CD1-CE3 3.75Å; F649-W659 HydrophobicContact CD1-CE3 3.75Å; F649-W659 HydrophobicContact CD1-CZ3 4.11Å; F649-W659 AromaticContact CE1-CE3 3.87Å; F649-W659 HydrophobicContact CE1-CE3 3.87Å; F649-W659 AromaticContact CE1-CZ3 3.95Å; F649-W659 HydrophobicContact CE1-CZ3 3.95Å; Y654-W659 HydrophobicContact CD1-CD2 4.11Å; Y654-W659 AromaticContact CD1-CE2 3.68Å; Y654-W659 HydrophobicContact CD1-CG 4.32Å; Y654-W659 HydrophobicContact CD1-CZ2 4.07Å; Y654-W659 AromaticContact CD1-NE1 3.63Å; Y654-W659 AromaticContact CD2-CD2 3.96Å; Y654-W659 HydrophobicContact CD2-CD2 3.96Å; Y654-W659 AromaticContact CD2-CE3 3.89Å; Y654-W659 HydrophobicContact CD2-CE3 3.89Å; Y654-W659 HydrophobicContact CD2-CH2 4.09Å; Y654-W659 HydrophobicContact CD2-CZ2 4.14Å; Y654-W659 AromaticContact CD2-CZ3 3.96Å; Y654-W659 HydrophobicContact CD2-CZ3 3.96Å; Y654-W659 AromaticContact CE1-CE2 3.96Å; Y654-W659 AromaticContact CE1-CZ2 3.88Å; Y654-W659 HydrophobicContact CE1-CZ2 3.88Å; Y654-W659 HydrophobicContact CE2-CE3 4.46Å; Y654-W659 AromaticContact CE2-CH2 3.83Å; Y654-W659 HydrophobicContact CE2-CH2 3.83Å; Y654-W659 AromaticContact CE2-CZ2 3.96Å; Y654-W659 HydrophobicContact CE2-CZ2 3.96Å; Y654-W659 HydrophobicContact CE2-CZ3 4.09Å; Y654-W659 AromaticContact CG-CD2 3.71Å; Y654-W659 HydrophobicContact CG-CD2 3.71Å; Y654-W659 AromaticContact CG-CE2 3.76Å; Y654-W659 HydrophobicContact CG-CE3 4.11Å; Y654-W659 AromaticContact CG-CG 3.98Å; Y654-W659 HydrophobicContact CG-CG 3.98Å; Y654-W659 HydrophobicContact CG-CZ2 4.22Å; Y654-W659 AromaticContact CZ-CZ2 3.81Å; S656-W659 PolarHBondContact O-N 3.03Å; S656-W659 VanDerWaalsContact O-N 3.11Å; E657-W659 PolarHBondContact O-N 2.73Å; W659-L662 HydrophobicContact CE3-CD2 4.04Å; W659-L662 HydrophobicContact CZ3-CD2 3.86Å; W659-L662 PolarHBondContact O-N 3.48Å; W659-A663 WeakPolarHBondContact O-CB 3.45Å; W659-A663 PolarHBondContact O-N 3.34Å |
| 660 | R | 98.3 | Very high | 97.9 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 174.1 | -68.3 | -179.6 | -168.3 | 167.7 | 6 | 111.4 | T655 S656 E657 L662 A663 E664 | T655-R660 PolarHBondContact O-NE 3.31Å; T655-R660 PolarHBondContact O-NH2 3.38Å; S656-R660 PolarHBondContact O-N 2.8Å; E657-R660 PolarHBondContact O-N 3.47Å; R660-L662 VanDerWaalsContact C-N 3.3Å; R660-L662 PolarHBondContact O-N 2.9Å; R660-A663 WeakPolarHBondContact O-CB 3.13Å; R660-A663 PolarHBondContact O-N 3.13Å; R660-E664 WeakPolarHBondContact O-CG 3.38Å; R660-E664 PolarHBondContact O-N 2.99Å |
| 661 | A | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E657 T665 | E657-A661 PolarHBondContact O-N 2.78Å; A661-T665 PolarHBondContact O-N 2.91Å; A661-T665 PolarHBondContact O-OG1 3.35Å |
| 662 | L | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.9 | -177.8 | 57.4 | 0 | 0 | 0 | 111.7 | Y619 V622 K623 T626 K658 W659 R660 E664 T665 V666 | Y619-L662 HydrophobicContact CD2-CD2 3.66Å; Y619-L662 HydrophobicContact CE2-CB 4.06Å; Y619-L662 HydrophobicContact CE2-CD2 3.56Å; Y619-L662 HydrophobicContact CE2-CG 4.45Å; Y619-L662 HydrophobicContact CG-CD2 4.34Å; V622-L662 HydrophobicContact CB-CD2 4Å; V622-L662 HydrophobicContact CG1-CD1 4.28Å; V622-L662 HydrophobicContact CG1-CD2 3.8Å; V622-L662 HydrophobicContact CG1-CG 3.99Å; K623-L662 HydrophobicContact CB-CD1 4.1Å; K623-L662 HydrophobicContact CB-CD2 4.36Å; T626-L662 HydrophobicContact CG2-CD1 4.12Å; K658-L662 WeakPolarHBondContact O-CB 3.31Å; K658-L662 PolarHBondContact O-N 3.27Å; W659-L662 HydrophobicContact CE3-CD2 4.04Å; W659-L662 HydrophobicContact CZ3-CD2 3.86Å; W659-L662 PolarHBondContact O-N 3.48Å; R660-L662 VanDerWaalsContact C-N 3.3Å; R660-L662 PolarHBondContact O-N 2.9Å; L662-E664 PolarHBondContact O-N 3.44Å; L662-T665 WeakPolarHBondContact O-CB 3.29Å; L662-T665 PolarHBondContact O-N 2.78Å; L662-V666 HydrophobicContact CD1-CG2 4.29Å; L662-V666 HydrophobicContact CG-CG2 4.48Å; L662-V666 VanDerWaalsContact O-CG2 3.31Å; L662-V666 WeakPolarHBondContact O-CG2 3.36Å; L662-V666 PolarHBondContact O-N 2.99Å |
| 663 | A | 98.7 | Very high | 98 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F649 W659 R660 T665 V666 A667 | F649-A663 HydrophobicContact CB-CB 4.47Å; F649-A663 HydrophobicContact CD1-CB 4.05Å; F649-A663 HydrophobicContact CD2-CB 3.47Å; F649-A663 VanDerWaalsContact CD2-CB 3.47Å; F649-A663 HydrophobicContact CE1-CB 4.12Å; F649-A663 HydrophobicContact CE2-CB 3.56Å; F649-A663 HydrophobicContact CG-CB 3.73Å; F649-A663 HydrophobicContact CZ-CB 3.89Å; W659-A663 WeakPolarHBondContact O-CB 3.45Å; W659-A663 PolarHBondContact O-N 3.34Å; R660-A663 WeakPolarHBondContact O-CB 3.13Å; R660-A663 PolarHBondContact O-N 3.13Å; A663-T665 VanDerWaalsContact C-N 3.34Å; A663-T665 PolarHBondContact O-N 3.28Å; A663-V666 PolarHBondContact O-N 2.95Å; A663-A667 WeakPolarHBondContact O-CB 3.15Å; A663-A667 PolarHBondContact O-N 3.26Å |
| 664 | E | 98.5 | Very high | 98.1 | Very high | 135 Ų | 135 | 51 Ų | 51 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 173.8 | -72 | 171.6 | -168.5 | 0 | 0 | 111.6 | R660 L662 V666 A667 V668 | R660-E664 WeakPolarHBondContact O-CG 3.38Å; R660-E664 PolarHBondContact O-N 2.99Å; L662-E664 PolarHBondContact O-N 3.44Å; E664-V666 PolarHBondContact O-N 2.9Å; E664-A667 PolarHBondContact O-N 3.26Å; E664-V668 WeakPolarHBondContact O-CG2 3.42Å; E664-V668 PolarHBondContact O-N 3.33Å; E664-V668 VanDerWaalsContact O-N 3.16Å |
| 665 | T | 98.7 | Very high | 98.2 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | T626 A661 L662 A663 V668 Q669 | T626-T665 HydrophobicContact CG2-CG2 4.17Å; A661-T665 PolarHBondContact O-N 2.91Å; A661-T665 PolarHBondContact O-OG1 3.35Å; L662-T665 WeakPolarHBondContact O-CB 3.29Å; L662-T665 PolarHBondContact O-N 2.78Å; A663-T665 VanDerWaalsContact C-N 3.34Å; A663-T665 PolarHBondContact O-N 3.28Å; T665-V668 PolarHBondContact O-N 3.22Å; T665-Q669 HydrophobicContact CG2-CG 4.1Å; T665-Q669 VanDerWaalsContact O-CB 3.31Å; T665-Q669 WeakPolarHBondContact O-CB 3.22Å; T665-Q669 WeakPolarHBondContact O-CG 3.29Å; T665-Q669 PolarHBondContact O-N 3.43Å |
| 666 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.4 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | V622 T626 F638 W643 F649 L662 A663 E664 V668 G670 M671 | V622-V666 HydrophobicContact CG1-CG2 3.75Å; T626-V666 HydrophobicContact CG2-CG2 4.25Å; F638-V666 HydrophobicContact CE2-CG1 4.35Å; F638-V666 WeakPolarHBondContact CZ-O 2.86Å; W643-V666 HydrophobicContact CB-CG1 4.06Å; W643-V666 WeakPolarHBondContact O-CG1 3.43Å; F649-V666 HydrophobicContact CE2-CB 4.49Å; F649-V666 HydrophobicContact CE2-CG1 4.49Å; F649-V666 HydrophobicContact CZ-CB 4.23Å; F649-V666 HydrophobicContact CZ-CG1 4.45Å; F649-V666 HydrophobicContact CZ-CG2 4.11Å; L662-V666 HydrophobicContact CD1-CG2 4.29Å; L662-V666 HydrophobicContact CG-CG2 4.48Å; L662-V666 VanDerWaalsContact O-CG2 3.31Å; L662-V666 WeakPolarHBondContact O-CG2 3.36Å; L662-V666 PolarHBondContact O-N 2.99Å; A663-V666 PolarHBondContact O-N 2.95Å; E664-V666 PolarHBondContact O-N 2.9Å; V666-V668 VanDerWaalsContact C-N 3.28Å; V666-V668 PolarHBondContact O-N 3.46Å; V666-G670 VanDerWaalsContact O-CA 3.24Å; V666-G670 WeakPolarHBondContact O-CA 3.5Å; V666-G670 PolarHBondContact O-N 3.04Å; V666-M671 HydrophobicContact CB-SD 4.32Å; V666-M671 HydrophobicContact CG1-CG 3.68Å; V666-M671 HydrophobicContact CG1-SD 3.72Å; V666-M671 HydrophobicContact CG2-SD 3.65Å |
| 667 | A | 98.2 | Very high | 98.4 | Very high | 38 Ų | 38 | 44 Ų | 44 | 31% | 0.314 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -38 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A663 E664 | A663-A667 WeakPolarHBondContact O-CB 3.15Å; A663-A667 PolarHBondContact O-N 3.26Å; E664-A667 PolarHBondContact O-N 3.26Å |
| 668 | V | 96.9 | Very high | 98.4 | Very high | 123 Ų | 123 | 35.9 Ų | 35.9 | 75% | 0.745 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -83 | -48.2 | -179.2 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | E664 T665 V666 | E664-V668 WeakPolarHBondContact O-CG2 3.42Å; E664-V668 PolarHBondContact O-N 3.33Å; E664-V668 VanDerWaalsContact O-N 3.16Å; T665-V668 PolarHBondContact O-N 3.22Å; V666-V668 VanDerWaalsContact C-N 3.28Å; V666-V668 PolarHBondContact O-N 3.46Å |
| 669 | Q | 97.1 | Very high | 98.5 | Very high | 60 Ų | 60 | 32 Ų | 32 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -85.5 | -31.1 | -173.4 | -62.7 | -172.8 | 174.5 | 0 | 0 | 113.3 | T626 T665 | T626-Q669 PolarHBondContact O-NE2 2.92Å; T626-Q669 PolarHBondContact OG1-NE2 3.44Å; T665-Q669 HydrophobicContact CG2-CG 4.1Å; T665-Q669 VanDerWaalsContact O-CB 3.31Å; T665-Q669 WeakPolarHBondContact O-CB 3.22Å; T665-Q669 WeakPolarHBondContact O-CG 3.29Å; T665-Q669 PolarHBondContact O-N 3.43Å |
| 670 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 92.8 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T626 A629 F638 V666 | T626-G670 WeakPolarHBondContact CA-O 3.29Å; T626-G670 WeakPolarHBondContact CB-O 3.24Å; T626-G670 PolarHBondContact OG1-O 3.21Å; A629-G670 WeakPolarHBondContact CB-O 3.47Å; F638-G670 VanDerWaalsContact CZ-CA 3.47Å; V666-G670 VanDerWaalsContact O-CA 3.24Å; V666-G670 WeakPolarHBondContact O-CA 3.5Å; V666-G670 PolarHBondContact O-N 3.04Å | ||
| 671 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -116.2 | 143.6 | 172 | -65.1 | -62.6 | -76.3 | 0 | 0 | 109.3 | V622 D625 R634 Y635 F638 W643 V666 L676 | V622-M671 HydrophobicContact CB-CE 4.45Å; V622-M671 HydrophobicContact CG1-CE 4.04Å; V622-M671 HydrophobicContact CG1-SD 4.21Å; D625-M671 HydrophobicContact CB-CE 3.68Å; D625-M671 WeakPolarHBondContact OD2-CE 3.19Å; R634-M671 CarbonylContact C-O 3.19Å; R634-M671 WeakPolarHBondContact CA-O 3.44Å; R634-M671 WeakPolarHBondContact CB-O 3.1Å; Y635-M671 HydrophobicContact CD1-CB 4.29Å; Y635-M671 VanDerWaalsContact CD1-O 3.27Å; Y635-M671 WeakPolarHBondContact CD1-O 3.37Å; Y635-M671 HydrophobicContact CE1-CB 3.98Å; Y635-M671 PolarHBondContact N-O 2.84Å; F638-M671 HydrophobicContact CD2-CB 4.23Å; F638-M671 HydrophobicContact CD2-CG 4.45Å; F638-M671 HydrophobicContact CE2-CB 4.31Å; F638-M671 HydrophobicContact CE2-CG 4.08Å; W643-M671 HydrophobicContact CB-CG 3.91Å; W643-M671 HydrophobicContact CD2-CE 4.33Å; W643-M671 HydrophobicContact CD2-CG 3.98Å; W643-M671 HydrophobicContact CE3-CE 4.15Å; W643-M671 HydrophobicContact CE3-CG 4.25Å; W643-M671 HydrophobicContact CE3-SD 4.46Å; W643-M671 HydrophobicContact CG-CG 3.85Å; W643-M671 HydrophobicContact CH2-CE 4.25Å; W643-M671 HydrophobicContact CZ2-CE 4.45Å; W643-M671 HydrophobicContact CZ3-CE 4.1Å; V666-M671 HydrophobicContact CB-SD 4.32Å; V666-M671 HydrophobicContact CG1-CG 3.68Å; V666-M671 HydrophobicContact CG1-SD 3.72Å; V666-M671 HydrophobicContact CG2-SD 3.65Å; M671-L676 HydrophobicContact CE-CD1 3.68Å; M671-L676 HydrophobicContact CE-CD2 4.5Å; M671-L676 HydrophobicContact CE-CG 4.43Å | ||
| 672 | R | 98.5 | Very high | 97.8 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 11% | 0.106 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -75.6 | -39.5 | 177.1 | 175.4 | 59.5 | 177.9 | 176 | -4.2 | 111.3 | D560 D564 R581 D625 L628 A629 K632 G633 Y635 | D560-R672 VanDerWaalsContact OD1-CG 3.26Å; D560-R672 WeakPolarHBondContact OD1-CG 3.44Å; D560-R672 IonicContact OD1-CZ 2.7Å; D560-R672 IonicContact OD1-NE 3.51Å; D560-R672 PolarHBondContact OD1-NE 2.99Å; D560-R672 IonicContact OD2-NE 3.69Å; D560-R672 PolarHBondContact OD2-NE 3.4Å; D564-R672 IonicContact OD2-NH2 2.66Å; R581-R672 VanDerWaalsContact CZ-CZ 3.46Å; R581-R672 VanDerWaalsContact NE-CZ 3.29Å; R581-R672 VanDerWaalsContact NE-NE 3.16Å; D625-R672 PolarHBondContact O-N 2.71Å; D625-R672 WeakPolarHBondContact OD2-CA 3.12Å; D625-R672 PolarHBondContact OD2-N 3.43Å; L628-R672 HydrophobicContact CB-CB 3.72Å; L628-R672 HydrophobicContact CB-CG 3.99Å; A629-R672 HydrophobicContact CB-CB 4.24Å; A629-R672 VanDerWaalsContact CB-N 3.34Å; K632-R672 PolarHBondContact O-NH1 3.01Å; G633-R672 WeakPolarHBondContact O-CD 3.48Å; G633-R672 PolarHBondContact O-NH1 2.86Å; Y635-R672 WeakPolarHBondContact CB-O 3.47Å |
| 673 | N | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -121.5 | 136.3 | -173.3 | -64.6 | -68.1 | 0 | 0 | 0 | 110.1 | D560 I563 R581 I583 D625 Y675 L676 | D560-N673 PolarHBondContact OD1-OD1 2.99Å; I563-N673 WeakPolarHBondContact CD1-OD1 3.49Å; R581-N673 VanDerWaalsContact CB-OD1 3.32Å; R581-N673 WeakPolarHBondContact CB-OD1 3.26Å; R581-N673 VanDerWaalsContact O-CA 3.31Å; R581-N673 WeakPolarHBondContact O-CA 3.23Å; R581-N673 WeakPolarHBondContact O-CB 3.39Å; R581-N673 VanDerWaalsContact O-CG 3.25Å; R581-N673 PolarHBondContact O-OD1 3.45Å; I583-N673 HydrophobicContact CD1-CB 4.26Å; I583-N673 HydrophobicContact CG1-CB 4.08Å; D625-N673 WeakPolarHBondContact OD1-CB 3.48Å; D625-N673 PolarHBondContact OD1-N 3.48Å; D625-N673 PolarHBondContact OD1-ND2 3.4Å; D625-N673 PolarHBondContact OD2-N 3.09Å; N673-Y675 VanDerWaalsContact C-N 3.32Å; N673-Y675 PolarHBondContact O-N 2.88Å; N673-L676 HydrophobicContact CB-CD2 3.89Å | ||
| 674 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -72.5 | -26.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N480 Y580 Y635 W643 | N480-A674 PolarHBondContact ND2-O 2.97Å; Y580-A674 HydrophobicContact CD1-CB 3.87Å; Y580-A674 HydrophobicContact CG-CB 4.44Å; Y580-A674 WeakPolarHBondContact O-CB 3.38Å; Y580-A674 PolarHBondContact O-N 3.29Å; Y635-A674 HydrophobicContact CD1-CB 4.26Å; Y635-A674 HydrophobicContact CD2-CB 3.76Å; Y635-A674 HydrophobicContact CE1-CB 4.16Å; Y635-A674 HydrophobicContact CE2-CB 3.62Å; Y635-A674 HydrophobicContact CG-CB 4.11Å; W643-A674 PolarHBondContact NE1-O 3.16Å |
| 675 | Y | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -136.5 | 140.7 | 179.9 | -56.3 | -87.5 | 0 | 0 | 0 | 109.6 | N478 P479 N480 A496 Q497 N498 Y580 S582 I583 N673 D750 Q751 | N478-Y675 PolarHBondContact OD1-OH 3.28Å; P479-Y675 HydrophobicContact CG-CD1 3.88Å; P479-Y675 HydrophobicContact CG-CE1 3.94Å; N480-Y675 VanDerWaalsContact ND2-CZ 3.32Å; A496-Y675 WeakPolarHBondContact O-CE1 3.49Å; Q497-Y675 HydrophobicContact CB-CD2 4.31Å; Q497-Y675 HydrophobicContact CB-CE1 4.43Å; Q497-Y675 HydrophobicContact CB-CE2 3.83Å; Q497-Y675 HydrophobicContact CG-CD1 4.2Å; Q497-Y675 HydrophobicContact CG-CD2 3.76Å; Q497-Y675 HydrophobicContact CG-CE1 4.24Å; Q497-Y675 HydrophobicContact CG-CE2 3.81Å; Q497-Y675 HydrophobicContact CG-CG 3.95Å; N498-Y675 PolarHBondContact N-OH 3.05Å; N498-Y675 PolarHBondContact OD1-OH 2.92Å; Y580-Y675 AromaticContact CD1-CE2 3.84Å; Y580-Y675 HydrophobicContact CD1-CE2 3.84Å; Y580-Y675 HydrophobicContact CE1-CE2 4.43Å; Y580-Y675 HydrophobicContact CG-CE2 4.38Å; S582-Y675 WeakPolarHBondContact OG-CD2 3.42Å; I583-Y675 WeakPolarHBondContact CG1-O 3.18Å; I583-Y675 PolarHBondContact N-O 3.5Å; I583-Y675 VanDerWaalsContact N-O 3.07Å; I583-Y675 CarbonylContact O-C 3.58Å; I583-Y675 VanDerWaalsContact O-O 3.06Å; N673-Y675 VanDerWaalsContact C-N 3.32Å; N673-Y675 PolarHBondContact O-N 2.88Å; Y675-D750 WeakPolarHBondContact CA-OD2 3.18Å; Y675-Q751 HydrophobicContact CD1-CG 3.99Å; Y675-Q751 HydrophobicContact CG-CG 4.35Å | ||
| 676 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -119.3 | -48 | -168.9 | -61 | -175.2 | 0 | 0 | 0 | 115 | I583 G584 L585 A621 V622 D625 W643 M671 N673 D750 | I583-L676 HydrophobicContact CD1-CD2 4.04Å; I583-L676 HydrophobicContact CG1-CD2 4.16Å; G584-L676 CarbonylContact C-O 3.58Å; G584-L676 WeakPolarHBondContact CA-O 3.3Å; L585-L676 PolarHBondContact N-O 2.92Å; A621-L676 HydrophobicContact CB-CD1 4.33Å; V622-L676 HydrophobicContact CB-CD1 4.49Å; V622-L676 HydrophobicContact CG2-CD1 3.84Å; D625-L676 HydrophobicContact CB-CD1 4.23Å; D625-L676 HydrophobicContact CB-CD2 3.86Å; W643-L676 HydrophobicContact CH2-CD1 4.01Å; W643-L676 HydrophobicContact CZ2-CD1 4.31Å; W643-L676 HydrophobicContact CZ2-CG 4.34Å; M671-L676 HydrophobicContact CE-CD1 3.68Å; M671-L676 HydrophobicContact CE-CD2 4.5Å; M671-L676 HydrophobicContact CE-CG 4.43Å; N673-L676 HydrophobicContact CB-CD2 3.89Å; L676-D750 PolarHBondContact N-OD2 3.49Å | ||
| 677 | L | 98.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 129.8 | -167.3 | -55.2 | -175.7 | 0 | 0 | 0 | 111.1 | L585 I617 N618 A621 H748 I749 D750 Q751 | L585-L677 HydrophobicContact CB-CD2 3.88Å; L585-L677 HydrophobicContact CD2-CD2 4.44Å; L585-L677 HydrophobicContact CG-CD2 4.43Å; L585-L677 WeakPolarHBondContact O-CA 3.46Å; L585-L677 WeakPolarHBondContact O-CD2 3.48Å; I617-L677 HydrophobicContact CG2-CD2 4.37Å; N618-L677 HydrophobicContact CB-CD1 3.83Å; A621-L677 HydrophobicContact CB-CD2 3.93Å; L677-H748 WeakPolarHBondContact CD1-O 3.49Å; L677-I749 HydrophobicContact CB-CG2 4.17Å; L677-I749 WeakPolarHBondContact O-CG2 3.37Å; L677-D750 WeakPolarHBondContact CA-OD1 3.4Å; L677-D750 WeakPolarHBondContact CB-OD1 3.34Å; L677-D750 PolarHBondContact N-OD1 3.37Å; L677-D750 VanDerWaalsContact O-OD1 3.08Å; L677-Q751 VanDerWaalsContact O-CB 3.26Å; L677-Q751 WeakPolarHBondContact O-CB 3.31Å; L677-Q751 PolarHBondContact O-N 2.9Å |
| 678 | A | 98.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | trans | -150.7 | 127.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | E494 I495 L532 L585 G586 A680 Q751 | E494-A678 HydrophobicContact CB-CB 4.39Å; E494-A678 HydrophobicContact CG-CB 4.04Å; I495-A678 HydrophobicContact CD1-CB 4.09Å; L532-A678 HydrophobicContact CD2-CB 4.27Å; L585-A678 CarbonylContact C-O 3.53Å; L585-A678 PolarHBondContact O-N 3.08Å; G586-A678 WeakPolarHBondContact CA-O 3.2Å; G586-A678 PolarHBondContact N-O 3.39Å; A678-A680 PolarHBondContact O-N 3.01Å; A678-Q751 HydrophobicContact CB-CB 4.06Å | ||
| 679 | V | 98.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 93.3 | -176 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | E494 V587 F614 I695 I749 A752 Q753 S754 | E494-V679 WeakPolarHBondContact CB-O 3.33Å; V587-V679 HydrophobicContact CG2-CG1 4.04Å; V587-V679 HydrophobicContact CG2-CG2 4.37Å; F614-V679 HydrophobicContact CE1-CG2 4.24Å; V679-I695 HydrophobicContact CG1-CD1 4.41Å; V679-I695 HydrophobicContact CG1-CG1 4.19Å; V679-I695 HydrophobicContact CG1-CG2 3.67Å; V679-I749 HydrophobicContact CG2-CD1 3.62Å; V679-I749 HydrophobicContact CG2-CG1 4.33Å; V679-A752 PolarHBondContact N-O 3.44Å; V679-Q753 HydrophobicContact CB-CB 3.79Å; V679-Q753 HydrophobicContact CG1-CB 4.4Å; V679-Q753 HydrophobicContact CG2-CB 4.44Å; V679-Q753 WeakPolarHBondContact O-CA 3.41Å; V679-S754 PolarHBondContact O-N 2.99Å; V679-S754 PolarHBondContact O-OG 3.19Å |
| 680 | A | 96.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 9% | 0.091 | 8% | 0.08 | C | C | . | . | trans | -76 | 158.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E494 L532 A678 | E494-A680 HydrophobicContact CG-CB 3.91Å; L532-A680 HydrophobicContact CD1-CB 3.97Å; A678-A680 PolarHBondContact O-N 3.01Å | ||
| 681 | P | 94.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 12.3 Ų | 12.3 | 27% | 0.273 | 8% | 0.081 | S | C | . | . | trans | -74 | 132.5 | 170.7 | 31.5 | -26.6 | 0 | 0 | 0 | 108.6 | C492 S754 Y784 | C492-P681 HydrophobicContact CB-CG 3.91Å; P681-S754 VanDerWaalsContact CD-OG 3.32Å; P681-S754 WeakPolarHBondContact CD-OG 3.3Å; P681-Y784 HydrophobicContact CB-CE1 4.28Å; P681-Y784 HydrophobicContact CG-CD1 4.44Å; P681-Y784 HydrophobicContact CG-CE1 3.9Å | ||
| 682 | T | 90.9 | Very high | 95 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 4% | 0.043 | 8% | 0.083 | C | C | . | . | trans | -108.3 | 119.2 | 177.4 | 65 | 0 | 0 | 0 | 0 | 111.2 | S588 T685 S686 A693 G694 | S588-T682 VanDerWaalsContact CB-OG1 3.29Å; S588-T682 WeakPolarHBondContact CB-OG1 3.34Å; T682-T685 WeakPolarHBondContact CB-OG1 3.41Å; T682-S686 PolarHBondContact O-OG 2.96Å; T682-S686 WeakPolarHBondContact OG1-CB 3.33Å; T682-A693 VanDerWaalsContact O-CA 3.32Å; T682-A693 WeakPolarHBondContact O-CA 3.3Å; T682-A693 WeakPolarHBondContact O-CB 3.42Å; T682-G694 PolarHBondContact OG1-N 2.61Å | ||
| 683 | S | 85.9 | Confident | 94.8 | Very high | 89 Ų | 89 | 13 Ų | 13 | 62% | 0.622 | 9% | 0.093 | S | C | * | . | S | Bend | trans | -112.3 | -74.6 | 178.4 | 176 | 0 | 0 | 0 | 0 | 110.3 | T685 S686 I687 | S683-T685 VanDerWaalsContact C-N 3.35Å; S683-T685 PolarHBondContact O-N 2.72Å; S683-S686 PolarHBondContact O-OG 2.89Å; S683-I687 WeakPolarHBondContact O-CD1 3.44Å; S683-I687 VanDerWaalsContact O-CG1 3.27Å; S683-I687 WeakPolarHBondContact O-CG1 3.4Å; S683-I687 PolarHBondContact O-N 3.01Å |
| 684 | S | 88.3 | Confident | 94.6 | Very high | 14 Ų | 14 | 13 Ų | 13 | 10% | 0.098 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 179.6 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | Y207 T259 L688 | Y207-S684 WeakPolarHBondContact OH-CB 3.01Å; Y207-S684 PolarHBondContact OH-OG 3.36Å; T259-S684 PolarHBondContact OG1-OG 3.16Å; S684-L688 WeakPolarHBondContact O-CB 3.25Å; S684-L688 PolarHBondContact O-N 3.17Å |
| 685 | T | 91.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.7 | -35.3 | -179.1 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | T682 S683 L688 S689 | T682-T685 WeakPolarHBondContact CB-OG1 3.41Å; S683-T685 VanDerWaalsContact C-N 3.35Å; S683-T685 PolarHBondContact O-N 2.72Å; T685-L688 PolarHBondContact O-N 3.4Å; T685-S689 PolarHBondContact O-N 2.83Å; T685-S689 PolarHBondContact O-OG 2.81Å; T685-S689 VanDerWaalsContact O-OG 3.11Å |
| 686 | S | 93.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 4% | 0.035 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.2 | -33.8 | 173.3 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | T682 S683 S689 G690 T691 | T682-S686 PolarHBondContact O-OG 2.96Å; T682-S686 WeakPolarHBondContact OG1-CB 3.33Å; S683-S686 PolarHBondContact O-OG 2.89Å; S686-S689 PolarHBondContact O-OG 3.43Å; S686-G690 PolarHBondContact O-N 3.15Å; S686-T691 PolarHBondContact O-N 3.38Å |
| 687 | I | 93 | Very high | 94.3 | Very high | 16 Ų | 16 | 14.6 Ų | 14.6 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 169.9 | -69.2 | 166.2 | 0 | 0 | 0 | 110.5 | G199 L202 S683 S689 G690 | G199-I687 WeakPolarHBondContact CA-O 3.39Å; L202-I687 HydrophobicContact CB-CG2 4.47Å; L202-I687 HydrophobicContact CD2-CB 4.07Å; L202-I687 HydrophobicContact CD2-CG2 3.66Å; S683-I687 WeakPolarHBondContact O-CD1 3.44Å; S683-I687 VanDerWaalsContact O-CG1 3.27Å; S683-I687 WeakPolarHBondContact O-CG1 3.4Å; S683-I687 PolarHBondContact O-N 3.01Å; I687-S689 PolarHBondContact O-N 3.04Å; I687-G690 PolarHBondContact O-N 3.49Å |
| 688 | L | 92.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 179.7 | -175.3 | 156.7 | 0 | 0 | 0 | 111.7 | F195 L203 Y207 F224 M253 M262 S684 T685 G690 | F195-L688 HydrophobicContact CE1-CD2 4.45Å; L203-L688 HydrophobicContact CD1-CD1 4.02Å; L203-L688 HydrophobicContact CD1-CD2 4.49Å; L203-L688 HydrophobicContact CD1-CG 4.15Å; L203-L688 HydrophobicContact CG-CD1 4.5Å; Y207-L688 HydrophobicContact CD2-CD1 4.18Å; Y207-L688 HydrophobicContact CE2-CD1 4.15Å; Y207-L688 HydrophobicContact CG-CD1 4.46Å; F224-L688 HydrophobicContact CZ-CD2 4.34Å; M253-L688 HydrophobicContact SD-CD2 3.95Å; M262-L688 HydrophobicContact CE-CD1 3.97Å; M262-L688 HydrophobicContact CE-CD2 4.49Å; S684-L688 WeakPolarHBondContact O-CB 3.25Å; S684-L688 PolarHBondContact O-N 3.17Å; T685-L688 PolarHBondContact O-N 3.4Å; L688-G690 VanDerWaalsContact C-N 3.28Å; L688-G690 PolarHBondContact O-N 3.21Å |
| 689 | S | 93.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.3 | 179.1 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | N539 T685 S686 I687 T691 | N539-S689 PolarHBondContact ND2-O 3.26Å; T685-S689 PolarHBondContact O-N 2.83Å; T685-S689 PolarHBondContact O-OG 2.81Å; T685-S689 VanDerWaalsContact O-OG 3.11Å; S686-S689 PolarHBondContact O-OG 3.43Å; I687-S689 PolarHBondContact O-N 3.04Å; S689-T691 VanDerWaalsContact C-N 3.33Å; S689-T691 PolarHBondContact O-N 3.41Å; S689-T691 VanDerWaalsContact OG-CG2 3.24Å; S689-T691 WeakPolarHBondContact OG-CG2 3.02Å |
| 690 | G | 93.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 31.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | S686 I687 L688 P717 | S686-G690 PolarHBondContact O-N 3.15Å; I687-G690 PolarHBondContact O-N 3.49Å; L688-G690 VanDerWaalsContact C-N 3.28Å; L688-G690 PolarHBondContact O-N 3.21Å; G690-P717 WeakPolarHBondContact O-CB 3.32Å; G690-P717 WeakPolarHBondContact O-CG 3.4Å |
| 691 | T | 96.2 | Very high | 93 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -126.3 | 176.9 | -172.9 | -157.8 | 0 | 0 | 0 | 0 | 113 | G589 H592 S686 S689 P717 | G589-T691 WeakPolarHBondContact CA-OG1 3.32Å; H592-T691 PolarHBondContact ND1-OG1 2.86Å; S686-T691 PolarHBondContact O-N 3.38Å; S689-T691 VanDerWaalsContact C-N 3.33Å; S689-T691 PolarHBondContact O-N 3.41Å; S689-T691 VanDerWaalsContact OG-CG2 3.24Å; S689-T691 WeakPolarHBondContact OG-CG2 3.02Å; T691-P717 VanDerWaalsContact C-CG 3.48Å; T691-P717 VanDerWaalsContact CA-CG 3.46Å |
| 692 | S | 96.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | trans | -75.8 | 153.1 | 177.3 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | G589 Y590 H591 H592 G694 | G589-S692 VanDerWaalsContact C-OG 3.25Å; G589-S692 WeakPolarHBondContact CA-O 3.5Å; G589-S692 WeakPolarHBondContact CA-OG 3.18Å; G589-S692 PolarHBondContact N-O 3.05Å; Y590-S692 PolarHBondContact N-OG 3.34Å; H591-S692 PolarHBondContact N-OG 2.96Å; H592-S692 PolarHBondContact N-OG 3.26Å; S692-G694 PolarHBondContact O-N 3.24Å | ||
| 693 | A | 94.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 29.9 Ų | 29.9 | 31% | 0.314 | 16% | 0.163 | S | C | . | . | trans | -71.3 | 125.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T682 I695 D696 | T682-A693 VanDerWaalsContact O-CA 3.32Å; T682-A693 WeakPolarHBondContact O-CA 3.3Å; T682-A693 WeakPolarHBondContact O-CB 3.42Å; A693-I695 PolarHBondContact O-N 2.9Å; A693-D696 WeakPolarHBondContact O-CB 3.18Å; A693-D696 PolarHBondContact O-N 2.96Å | ||
| 694 | G | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.9 | -126.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S588 Y590 T682 S692 | S588-G694 WeakPolarHBondContact CA-O 3.45Å; Y590-G694 VanDerWaalsContact CB-O 3.3Å; Y590-G694 WeakPolarHBondContact CB-O 3.42Å; Y590-G694 PolarHBondContact N-O 2.8Å; T682-G694 PolarHBondContact OG1-N 2.61Å; S692-G694 PolarHBondContact O-N 3.24Å |
| 695 | I | 97.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.046 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 9.1 | 170.1 | 54 | 166.8 | 0 | 0 | 0 | 113 | V587 Y590 W601 V679 A693 Q753 M755 | V587-I695 HydrophobicContact CG2-CG2 3.76Å; Y590-I695 HydrophobicContact CD2-CG2 4.34Å; Y590-I695 HydrophobicContact CG-CB 4.39Å; Y590-I695 HydrophobicContact CG-CG2 4.23Å; W601-I695 WeakPolarHBondContact CH2-O 3.48Å; V679-I695 HydrophobicContact CG1-CD1 4.41Å; V679-I695 HydrophobicContact CG1-CG1 4.19Å; V679-I695 HydrophobicContact CG1-CG2 3.67Å; A693-I695 PolarHBondContact O-N 2.9Å; I695-Q753 HydrophobicContact CD1-CB 4.12Å; I695-Q753 HydrophobicContact CD1-CG 4.03Å; I695-Q753 VanDerWaalsContact CD1-OE1 3.26Å; I695-M755 HydrophobicContact CD1-CB 4.34Å |
| 696 | D | 95.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 142.3 | -175.2 | -74.9 | -58.6 | 0 | 0 | 0 | 111.7 | A693 N756 Y758 | A693-D696 WeakPolarHBondContact O-CB 3.18Å; A693-D696 PolarHBondContact O-N 2.96Å; D696-N756 VanDerWaalsContact CG-ND2 3.3Å; D696-N756 WeakPolarHBondContact OD1-CB 3.45Å; D696-N756 PolarHBondContact OD1-ND2 3.2Å; D696-N756 PolarHBondContact OD2-ND2 3.36Å; D696-Y758 WeakPolarHBondContact CB-OH 3.23Å; D696-Y758 WeakPolarHBondContact OD1-CE2 3.43Å; D696-Y758 PolarHBondContact OD1-OH 2.76Å |
| 697 | P | 96.2 | Very high | 89 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 157.2 | 164.3 | 27 | -30.2 | 0 | 0 | 0 | 110.8 | H591 W601 A730 I733 Y758 | H591-P697 VanDerWaalsContact ND1-CA 3.29Å; H591-P697 WeakPolarHBondContact ND1-CA 3.46Å; W601-P697 HydrophobicContact CD2-CB 4.41Å; W601-P697 HydrophobicContact CE3-CB 4.16Å; W601-P697 HydrophobicContact CH2-CB 3.78Å; W601-P697 HydrophobicContact CH2-CG 4.07Å; W601-P697 HydrophobicContact CZ2-CB 4.04Å; W601-P697 HydrophobicContact CZ2-CG 4.01Å; W601-P697 HydrophobicContact CZ3-CB 3.85Å; P697-A730 HydrophobicContact CB-CB 4.17Å; P697-A730 HydrophobicContact CG-CB 3.67Å; P697-I733 HydrophobicContact CB-CD1 3.37Å; P697-I733 HydrophobicContact CG-CD1 3.78Å; P697-Y758 HydrophobicContact CG-CD2 4.18Å; P697-Y758 HydrophobicContact CG-CE2 3.99Å |
| 698 | I | 94.9 | Very high | 87.2 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.1 | -180 | 66.1 | 161.1 | 0 | 0 | 0 | 109.7 | H591 K701 A716 Y727 A729 A730 | H591-I698 HydrophobicContact CB-CG2 4.44Å; H591-I698 PolarHBondContact ND1-N 2.93Å; I698-K701 HydrophobicContact CD1-CG 4.13Å; I698-A716 HydrophobicContact CD1-CB 3.7Å; I698-Y727 HydrophobicContact CD1-CD1 3.58Å; I698-Y727 HydrophobicContact CD1-CE1 4.42Å; I698-Y727 HydrophobicContact CD1-CG 3.73Å; I698-Y727 HydrophobicContact CG1-CD1 3.9Å; I698-Y727 HydrophobicContact CG1-CG 4.46Å; I698-Y727 HydrophobicContact CG2-CD1 4.04Å; I698-Y727 HydrophobicContact CG2-CE1 4.01Å; I698-A729 CarbonylContact O-C 3.53Å; I698-A729 WeakPolarHBondContact O-CA 3.5Å; I698-A730 PolarHBondContact O-N 3.31Å |
| 699 | M | 89.8 | Confident | 85.2 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -74.5 | -45 | 176.9 | -69.6 | -65.8 | -147.9 | 0 | 0 | 112.3 | A729 A730 Y758 | M699-A729 WeakPolarHBondContact O-CB 3.37Å; M699-A730 HydrophobicContact SD-CB 3.89Å; M699-Y758 HydrophobicContact CE-CD1 4.01Å; M699-Y758 HydrophobicContact CE-CE1 3.42Å; M699-Y758 VanDerWaalsContact CE-CE1 3.42Å; M699-Y758 HydrophobicContact SD-CD1 3.93Å; M699-Y758 HydrophobicContact SD-CE1 3.59Å; M699-Y758 VanDerWaalsContact SD-CE1 3.59Å |
| 700 | K | 90.3 | Very high | 83.6 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | trans | -147.8 | 149.3 | 178.6 | -67.9 | -174.4 | 174 | -174.6 | 0 | 108.5 | F702 F703 | K700-F702 VanDerWaalsContact C-N 3.27Å; K700-F702 WeakPolarHBondContact CB-O 3.37Å; K700-F702 PolarHBondContact O-N 2.81Å; K700-F703 HydrophobicContact CB-CB 4.31Å; K700-F703 HydrophobicContact CB-CD1 3.99Å; K700-F703 HydrophobicContact CD-CB 4.04Å | ||
| 701 | K | 90.4 | Very high | 82.4 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -64.2 | -34.6 | 174.1 | -65.5 | 178.7 | 171.9 | 74.4 | 0 | 112.3 | I698 V715 A716 L719 W724 Y727 | I698-K701 HydrophobicContact CD1-CG 4.13Å; K701-V715 CarbonylContact O-C 2.85Å; K701-V715 WeakPolarHBondContact O-CA 3.33Å; K701-A716 PolarHBondContact O-N 2.92Å; K701-L719 HydrophobicContact CB-CD1 4.43Å; K701-L719 HydrophobicContact CB-CD2 4.17Å; K701-L719 HydrophobicContact CD-CD1 4.4Å; K701-L719 HydrophobicContact CG-CD1 4.49Å; K701-W724 HydrophobicContact CD-CD2 3.84Å; K701-W724 HydrophobicContact CD-CE3 4.09Å; K701-W724 HydrophobicContact CD-CG 4.43Å; K701-W724 HydrophobicContact CD-CH2 4.17Å; K701-W724 HydrophobicContact CD-CZ2 3.91Å; K701-W724 HydrophobicContact CD-CZ3 4.25Å; K701-W724 WeakPolarHBondContact CE-O 3.44Å; K701-Y727 VanDerWaalsContact CE-O 3.29Å; K701-Y727 WeakPolarHBondContact CE-O 3.27Å; K701-Y727 PolarHBondContact NZ-O 3.5Å |
| 702 | F | 91.1 | Very high | 81.6 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.1 | 175.5 | 174.7 | -95.2 | 0 | 0 | 0 | 109.1 | T119 A121 K700 L704 P713 R714 V715 | T119-F702 HydrophobicContact CG2-CE2 4.42Å; T119-F702 WeakPolarHBondContact O-CE2 3.02Å; T119-F702 WeakPolarHBondContact O-CZ 3.26Å; A121-F702 HydrophobicContact CB-CB 3.78Å; A121-F702 HydrophobicContact CB-CG 4.26Å; K700-F702 VanDerWaalsContact C-N 3.27Å; K700-F702 WeakPolarHBondContact CB-O 3.37Å; K700-F702 PolarHBondContact O-N 2.81Å; F702-L704 HydrophobicContact CE1-CD2 4.45Å; F702-L704 HydrophobicContact CZ-CD2 3.98Å; F702-P713 HydrophobicContact CE2-CB 3.8Å; F702-P713 HydrophobicContact CZ-CB 4.2Å; F702-R714 CarbonylContact C-O 3.51Å; F702-R714 VanDerWaalsContact CA-O 3.3Å; F702-R714 WeakPolarHBondContact CA-O 3.44Å; F702-V715 HydrophobicContact CD2-CG2 4.19Å |
| 703 | F | 86.4 | Confident | 81 | Confident | 73 Ų | 73 | 63.5 Ų | 63.5 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 158.2 | 169.5 | 62.8 | -80.5 | 0 | 0 | 0 | 111 | K700 E705 R714 | K700-F703 HydrophobicContact CB-CB 4.31Å; K700-F703 HydrophobicContact CB-CD1 3.99Å; K700-F703 HydrophobicContact CD-CB 4.04Å; F703-E705 HydrophobicContact CD2-CB 4.38Å; F703-E705 HydrophobicContact CE2-CB 4.02Å; F703-R714 HydrophobicContact CD1-CB 3.95Å; F703-R714 HydrophobicContact CD2-CB 4.16Å; F703-R714 HydrophobicContact CD2-CG 4.48Å; F703-R714 HydrophobicContact CE1-CB 3.58Å; F703-R714 HydrophobicContact CE1-CG 4.43Å; F703-R714 HydrophobicContact CE2-CB 3.81Å; F703-R714 HydrophobicContact CE2-CG 3.87Å; F703-R714 HydrophobicContact CG-CB 4.24Å; F703-R714 HydrophobicContact CZ-CB 3.51Å; F703-R714 HydrophobicContact CZ-CG 3.85Å; F703-R714 PolarHBondContact N-O 3.22Å; F703-R714 PolarHBondContact O-N 3.03Å |
| 704 | L | 81.1 | Confident | 80.6 | Confident | 97 Ų | 97 | 63 Ų | 63 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.1 | 169.7 | -59.9 | 177.6 | 0 | 0 | 0 | 108.4 | F702 M711 P713 | F702-L704 HydrophobicContact CE1-CD2 4.45Å; F702-L704 HydrophobicContact CZ-CD2 3.98Å; L704-M711 HydrophobicContact CB-CB 4.46Å; L704-M711 HydrophobicContact CD1-SD 4.29Å; L704-P713 HydrophobicContact CD2-CB 3.97Å |
| 705 | E | 76.4 | Confident | 80.5 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122 | 173.4 | -168.5 | -176.2 | -164.8 | 0 | 0 | 109.3 | F703 K707 M711 L712 R714 | F703-E705 HydrophobicContact CD2-CB 4.38Å; F703-E705 HydrophobicContact CE2-CB 4.02Å; E705-K707 VanDerWaalsContact CD-CE 3.5Å; E705-K707 HydrophobicContact CG-CG 4.5Å; E705-K707 WeakPolarHBondContact OE1-CE 3.36Å; E705-K707 IonicContact OE1-NZ 3.09Å; E705-K707 PolarHBondContact OE1-NZ 3.4Å; E705-K707 IonicContact OE2-NZ 2.72Å; E705-K707 PolarHBondContact OE2-NZ 3.09Å; E705-M711 WeakPolarHBondContact O-CA 3.33Å; E705-L712 PolarHBondContact N-O 3.33Å; E705-L712 PolarHBondContact O-N 2.99Å; E705-R714 HydrophobicContact CB-CG 3.98Å |
| 706 | E | 67 | Low | 80.4 | Confident | 146 Ų | 146 | 63.3 Ų | 63.3 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.1 | 173.4 | -169.2 | -178 | 169.5 | 0 | 0 | 110.4 | S710 | E706-S710 WeakPolarHBondContact CA-O 3.17Å |
| 707 | K | 57.3 | Low | 80.4 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 121.5 | 173.1 | -85.5 | 179 | 175.7 | 144.4 | 0 | 110.7 | E705 G709 S710 | E705-K707 VanDerWaalsContact CD-CE 3.5Å; E705-K707 HydrophobicContact CG-CG 4.5Å; E705-K707 WeakPolarHBondContact OE1-CE 3.36Å; E705-K707 IonicContact OE1-NZ 3.09Å; E705-K707 PolarHBondContact OE1-NZ 3.4Å; E705-K707 IonicContact OE2-NZ 2.72Å; E705-K707 PolarHBondContact OE2-NZ 3.09Å; K707-G709 PolarHBondContact O-N 3.23Å; K707-G709 VanDerWaalsContact O-N 3.16Å; K707-S710 PolarHBondContact N-O 2.87Å; K707-S710 PolarHBondContact O-N 3.06Å; K707-S710 PolarHBondContact O-OG 3.19Å |
| 708 | K | 54.6 | Low | 80.3 | Confident | 223 Ų | 223 | 66.8 Ų | 66.8 | 97% | 0.97 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 43.8 | 174.5 | -63.6 | -174.5 | 175.8 | -177.5 | 0 | 113.1 | S710 | K708-S710 VanDerWaalsContact C-N 3.32Å; K708-S710 PolarHBondContact O-N 3.41Å |
| 709 | G | 50.7 | Low | 80.4 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 74% | 0.742 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 6.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K707 | K707-G709 PolarHBondContact O-N 3.23Å; K707-G709 VanDerWaalsContact O-N 3.16Å |
| 710 | S | 59.4 | Low | 80.5 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.9 | 170.3 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | E706 K707 K708 | E706-S710 WeakPolarHBondContact CA-O 3.17Å; K707-S710 PolarHBondContact N-O 2.87Å; K707-S710 PolarHBondContact O-N 3.06Å; K707-S710 PolarHBondContact O-OG 3.19Å; K708-S710 VanDerWaalsContact C-N 3.32Å; K708-S710 PolarHBondContact O-N 3.41Å |
| 711 | M | 69.1 | Low | 80.5 | Confident | 124 Ų | 124 | 66.9 Ų | 66.9 | 61% | 0.611 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.9 | 171 | -69.6 | -175.5 | -179.9 | 0 | 0 | 108.7 | L704 E705 | L704-M711 HydrophobicContact CB-CB 4.46Å; L704-M711 HydrophobicContact CD1-SD 4.29Å; E705-M711 WeakPolarHBondContact O-CA 3.33Å |
| 712 | L | 79.6 | Confident | 80.5 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.1 | -178.9 | -66.3 | 173.8 | 0 | 0 | 0 | 109.6 | Y197 E705 R714 | Y197-L712 HydrophobicContact CD1-CD2 4.25Å; Y197-L712 HydrophobicContact CE1-CD2 3.59Å; E705-L712 PolarHBondContact N-O 3.33Å; E705-L712 PolarHBondContact O-N 2.99Å; L712-R714 PolarHBondContact O-N 3.47Å |
| 713 | P | 83.5 | Confident | 80.7 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.9 | 173.2 | 28.7 | -33.3 | 0 | 0 | 0 | 110 | V116 T119 F702 L704 | V116-P713 HydrophobicContact CG1-CG 3.65Å; T119-P713 HydrophobicContact CG2-CB 3.96Å; T119-P713 HydrophobicContact CG2-CG 4.12Å; F702-P713 HydrophobicContact CE2-CB 3.8Å; F702-P713 HydrophobicContact CZ-CB 4.2Å; L704-P713 HydrophobicContact CD2-CB 3.97Å |
| 714 | R | 87.1 | Confident | 81 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.5 | 175.1 | -68.4 | -62.8 | -58.3 | 171.7 | 2.8 | 107.8 | S198 F702 F703 E705 L712 | S198-R714 PolarHBondContact OG-NH1 3.21Å; F702-R714 CarbonylContact C-O 3.51Å; F702-R714 VanDerWaalsContact CA-O 3.3Å; F702-R714 WeakPolarHBondContact CA-O 3.44Å; F703-R714 HydrophobicContact CD1-CB 3.95Å; F703-R714 HydrophobicContact CD2-CB 4.16Å; F703-R714 HydrophobicContact CD2-CG 4.48Å; F703-R714 HydrophobicContact CE1-CB 3.58Å; F703-R714 HydrophobicContact CE1-CG 4.43Å; F703-R714 HydrophobicContact CE2-CB 3.81Å; F703-R714 HydrophobicContact CE2-CG 3.87Å; F703-R714 HydrophobicContact CG-CB 4.24Å; F703-R714 HydrophobicContact CZ-CB 3.51Å; F703-R714 HydrophobicContact CZ-CG 3.85Å; F703-R714 PolarHBondContact N-O 3.22Å; F703-R714 PolarHBondContact O-N 3.03Å; E705-R714 HydrophobicContact CB-CG 3.98Å; L712-R714 PolarHBondContact O-N 3.47Å |
| 715 | V | 92.2 | Very high | 81.5 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148 | 177 | -164 | 0 | 0 | 0 | 0 | 109 | T119 P124 K701 F702 L719 | T119-V715 HydrophobicContact CG2-CG2 3.75Å; P124-V715 HydrophobicContact CB-CB 4.31Å; P124-V715 HydrophobicContact CB-CG1 3.43Å; P124-V715 VanDerWaalsContact CB-CG1 3.43Å; P124-V715 HydrophobicContact CB-CG2 4.16Å; K701-V715 CarbonylContact O-C 2.85Å; K701-V715 WeakPolarHBondContact O-CA 3.33Å; F702-V715 HydrophobicContact CD2-CG2 4.19Å; V715-L719 HydrophobicContact CG1-CB 3.76Å; V715-L719 HydrophobicContact CG1-CD2 3.67Å; V715-L719 HydrophobicContact CG1-CG 4.38Å |
| 716 | A | 95.3 | Very high | 82.4 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 3% | 0.025 | 36% | 0.361 | C | S | . | . | trans | -57.9 | 136.5 | 161 | 0 | 0 | 0 | 0 | 0 | 110 | I698 K701 L719 Y727 | I698-A716 HydrophobicContact CD1-CB 3.7Å; K701-A716 PolarHBondContact O-N 2.92Å; A716-L719 HydrophobicContact CB-CB 4.37Å; A716-L719 HydrophobicContact CB-CD1 4.38Å; A716-L719 VanDerWaalsContact O-CB 3.32Å; A716-L719 WeakPolarHBondContact O-CB 3.5Å; A716-L719 PolarHBondContact O-N 2.66Å; A716-Y727 HydrophobicContact CB-CD1 4.34Å; A716-Y727 HydrophobicContact CB-CD2 3.85Å; A716-Y727 HydrophobicContact CB-CE1 4.31Å; A716-Y727 HydrophobicContact CB-CE2 3.8Å; A716-Y727 HydrophobicContact CB-CG 4.12Å | ||
| 717 | P | 96.3 | Very high | 83.7 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 141.4 | -179.9 | -24.3 | 33.4 | 0 | 0 | 0 | 112.4 | H592 G690 T691 L719 Y727 | H592-P717 HydrophobicContact CB-CB 4.17Å; H592-P717 HydrophobicContact CB-CG 4.2Å; H592-P717 WeakPolarHBondContact ND1-CB 3.33Å; G690-P717 WeakPolarHBondContact O-CB 3.32Å; G690-P717 WeakPolarHBondContact O-CG 3.4Å; T691-P717 VanDerWaalsContact C-CG 3.48Å; T691-P717 VanDerWaalsContact CA-CG 3.46Å; P717-L719 PolarHBondContact O-N 3.02Å; P717-Y727 VanDerWaalsContact O-CE2 3.29Å; P717-Y727 WeakPolarHBondContact O-CE2 3.4Å; P717-Y727 PolarHBondContact O-OH 3.02Å |
| 718 | E | 94.7 | Very high | 85.4 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 31.3 | 180 | -64 | -174.6 | -161.2 | 0 | 0 | 113.8 | H592 K596 S720 T723 | H592-E718 IonicContact CE1-OE1 3.55Å; H592-E718 VanDerWaalsContact NE2-CD 3.33Å; H592-E718 WeakPolarHBondContact NE2-CG 3.38Å; H592-E718 IonicContact NE2-OE1 3.69Å; H592-E718 PolarHBondContact NE2-OE1 3.29Å; H592-E718 IonicContact NE2-OE2 2.72Å; K596-E718 WeakPolarHBondContact CD-OE2 3.46Å; K596-E718 WeakPolarHBondContact CE-OE1 3.26Å; K596-E718 VanDerWaalsContact CE-OE2 3.28Å; K596-E718 WeakPolarHBondContact CE-OE2 3.25Å; K596-E718 IonicContact NZ-OE1 2.88Å; K596-E718 PolarHBondContact NZ-OE1 3.01Å; K596-E718 IonicContact NZ-OE2 3.74Å; E718-S720 PolarHBondContact O-N 3.44Å; E718-T723 WeakPolarHBondContact O-CG2 3.5Å; E718-T723 PolarHBondContact O-OG1 3.44Å |
| 719 | L | 95.5 | Very high | 87.2 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -61.5 | 122.6 | 177.2 | -172 | 66.1 | 0 | 0 | 0 | 110.2 | A121 P124 K701 V715 A716 P717 T723 W724 Y727 | A121-L719 HydrophobicContact CB-CD2 4.46Å; P124-L719 HydrophobicContact CB-CB 4.43Å; P124-L719 HydrophobicContact CG-CB 4.3Å; P124-L719 WeakPolarHBondContact CG-O 3.22Å; K701-L719 HydrophobicContact CB-CD1 4.43Å; K701-L719 HydrophobicContact CB-CD2 4.17Å; K701-L719 HydrophobicContact CD-CD1 4.4Å; K701-L719 HydrophobicContact CG-CD1 4.49Å; V715-L719 HydrophobicContact CG1-CB 3.76Å; V715-L719 HydrophobicContact CG1-CD2 3.67Å; V715-L719 HydrophobicContact CG1-CG 4.38Å; A716-L719 HydrophobicContact CB-CB 4.37Å; A716-L719 HydrophobicContact CB-CD1 4.38Å; A716-L719 VanDerWaalsContact O-CB 3.32Å; A716-L719 WeakPolarHBondContact O-CB 3.5Å; A716-L719 PolarHBondContact O-N 2.66Å; P717-L719 PolarHBondContact O-N 3.02Å; L719-T723 WeakPolarHBondContact CA-OG1 3.34Å; L719-W724 HydrophobicContact CD1-CD2 4.5Å; L719-W724 HydrophobicContact CD1-CE3 3.78Å; L719-W724 HydrophobicContact CD1-CZ3 4.41Å; L719-W724 HydrophobicContact CD2-CE3 4.16Å; L719-W724 HydrophobicContact CD2-CZ3 3.99Å; L719-W724 HydrophobicContact CG-CE3 4.07Å; L719-W724 HydrophobicContact CG-CZ3 4.39Å; L719-Y727 HydrophobicContact CD1-CD2 3.99Å | ||
| 720 | S | 92.7 | Very high | 89.3 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -153.7 | 176.6 | 178.1 | 75.2 | 0 | 0 | 0 | 0 | 108.9 | E718 D722 T723 W724 | E718-S720 PolarHBondContact O-N 3.44Å; S720-D722 PolarHBondContact O-N 3.4Å; S720-D722 PolarHBondContact OG-N 3.46Å; S720-D722 VanDerWaalsContact OG-N 3.14Å; S720-T723 PolarHBondContact N-OG1 2.93Å; S720-T723 PolarHBondContact O-N 3.5Å; S720-T723 PolarHBondContact O-OG1 3.32Å; S720-T723 PolarHBondContact OG-N 3.04Å; S720-W724 WeakPolarHBondContact O-CA 3.39Å; S720-W724 WeakPolarHBondContact O-CB 3.28Å; S720-W724 PolarHBondContact O-N 3.22Å |
| 721 | M | 89.4 | Confident | 90.8 | Very high | 141 Ų | 141 | 51.3 Ų | 51.3 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.5 | 172.4 | -73 | -67.2 | 161.9 | 0 | 0 | 112.7 | ||
| 722 | D | 91.2 | Very high | 91.8 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 72% | 0.717 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -37.6 | 178.1 | -57.2 | -44.3 | 0 | 0 | 0 | 111.7 | S720 Y726 | S720-D722 PolarHBondContact O-N 3.4Å; S720-D722 PolarHBondContact OG-N 3.46Å; S720-D722 VanDerWaalsContact OG-N 3.14Å; D722-Y726 VanDerWaalsContact O-CD2 3.23Å; D722-Y726 WeakPolarHBondContact O-CD2 3.49Å; D722-Y726 WeakPolarHBondContact O-CE2 3.48Å |
| 723 | T | 95.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -15.9 | -178 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | E718 L719 S720 W725 Y726 Y727 | E718-T723 WeakPolarHBondContact O-CG2 3.5Å; E718-T723 PolarHBondContact O-OG1 3.44Å; L719-T723 WeakPolarHBondContact CA-OG1 3.34Å; S720-T723 PolarHBondContact N-OG1 2.93Å; S720-T723 PolarHBondContact O-N 3.5Å; S720-T723 PolarHBondContact O-OG1 3.32Å; S720-T723 PolarHBondContact OG-N 3.04Å; T723-W725 VanDerWaalsContact C-N 3.31Å; T723-W725 PolarHBondContact O-N 3.46Å; T723-Y726 PolarHBondContact O-N 3.17Å; T723-Y727 PolarHBondContact O-N 3.41Å |
| 724 | W | 92.5 | Very high | 92.9 | Very high | 61 Ų | 61 | 53 Ų | 53 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -51.4 | -47 | -172.7 | -175.9 | -89.5 | 0 | 0 | 0 | 113.1 | A121 K701 L719 S720 Y726 Y727 | A121-W724 HydrophobicContact CB-CH2 3.91Å; A121-W724 HydrophobicContact CB-CZ3 3.87Å; K701-W724 HydrophobicContact CD-CD2 3.84Å; K701-W724 HydrophobicContact CD-CE3 4.09Å; K701-W724 HydrophobicContact CD-CG 4.43Å; K701-W724 HydrophobicContact CD-CH2 4.17Å; K701-W724 HydrophobicContact CD-CZ2 3.91Å; K701-W724 HydrophobicContact CD-CZ3 4.25Å; K701-W724 WeakPolarHBondContact CE-O 3.44Å; L719-W724 HydrophobicContact CD1-CD2 4.5Å; L719-W724 HydrophobicContact CD1-CE3 3.78Å; L719-W724 HydrophobicContact CD1-CZ3 4.41Å; L719-W724 HydrophobicContact CD2-CE3 4.16Å; L719-W724 HydrophobicContact CD2-CZ3 3.99Å; L719-W724 HydrophobicContact CG-CE3 4.07Å; L719-W724 HydrophobicContact CG-CZ3 4.39Å; S720-W724 WeakPolarHBondContact O-CA 3.39Å; S720-W724 WeakPolarHBondContact O-CB 3.28Å; S720-W724 PolarHBondContact O-N 3.22Å; W724-Y726 VanDerWaalsContact C-N 3.26Å; W724-Y726 PolarHBondContact O-N 2.89Å; W724-Y727 PolarHBondContact O-N 3.38Å |
| 725 | W | 92 | Very high | 93.3 | Very high | 189 Ų | 189 | 51.6 Ų | 51.6 | 72% | 0.716 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -76.8 | -13.7 | -174 | -55.6 | 104.7 | 0 | 0 | 0 | 113.6 | T723 | T723-W725 VanDerWaalsContact C-N 3.31Å; T723-W725 PolarHBondContact O-N 3.46Å |
| 726 | Y | 95.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -91.1 | -19.1 | 178.9 | -57.5 | -72.8 | 0 | 0 | 0 | 112.4 | H591 G598 R600 D722 T723 W724 K728 | H591-Y726 PolarHBondContact NE2-O 3.43Å; H591-Y726 VanDerWaalsContact NE2-O 3.1Å; G598-Y726 VanDerWaalsContact C-CD1 3.44Å; G598-Y726 VanDerWaalsContact CA-CZ 3.44Å; G598-Y726 WeakPolarHBondContact O-CD1 3.43Å; G598-Y726 WeakPolarHBondContact O-CE1 3.32Å; R600-Y726 HydrophobicContact CG-CD1 3.8Å; R600-Y726 HydrophobicContact CG-CE1 3.95Å; D722-Y726 VanDerWaalsContact O-CD2 3.23Å; D722-Y726 WeakPolarHBondContact O-CD2 3.49Å; D722-Y726 WeakPolarHBondContact O-CE2 3.48Å; T723-Y726 PolarHBondContact O-N 3.17Å; W724-Y726 VanDerWaalsContact C-N 3.26Å; W724-Y726 PolarHBondContact O-N 2.89Å; Y726-K728 PolarHBondContact O-N 3.44Å |
| 727 | Y | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | trans | -84.6 | 86.8 | 173.6 | -79.7 | -54.6 | 0 | 0 | 0 | 113 | H591 H592 A595 I698 K701 A716 P717 L719 T723 W724 | H591-Y727 HydrophobicContact CB-CE1 4.34Å; H591-Y727 AromaticContact CD2-CD1 3.67Å; H591-Y727 AromaticContact CD2-CE1 3.86Å; H591-Y727 AromaticContact CE1-CD1 3.92Å; H591-Y727 AromaticContact CG-CD1 3.9Å; H591-Y727 AromaticContact CG-CE1 3.92Å; H591-Y727 AromaticContact NE2-CD1 3.68Å; H592-Y727 WeakPolarHBondContact CA-OH 3.43Å; A595-Y727 HydrophobicContact CB-CD1 4.06Å; A595-Y727 HydrophobicContact CB-CD2 4.04Å; A595-Y727 HydrophobicContact CB-CE1 3.69Å; A595-Y727 HydrophobicContact CB-CE2 3.67Å; A595-Y727 HydrophobicContact CB-CG 4.22Å; A595-Y727 VanDerWaalsContact CB-CZ 3.48Å; I698-Y727 HydrophobicContact CD1-CD1 3.58Å; I698-Y727 HydrophobicContact CD1-CE1 4.42Å; I698-Y727 HydrophobicContact CD1-CG 3.73Å; I698-Y727 HydrophobicContact CG1-CD1 3.9Å; I698-Y727 HydrophobicContact CG1-CG 4.46Å; I698-Y727 HydrophobicContact CG2-CD1 4.04Å; I698-Y727 HydrophobicContact CG2-CE1 4.01Å; K701-Y727 VanDerWaalsContact CE-O 3.29Å; K701-Y727 WeakPolarHBondContact CE-O 3.27Å; K701-Y727 PolarHBondContact NZ-O 3.5Å; A716-Y727 HydrophobicContact CB-CD1 4.34Å; A716-Y727 HydrophobicContact CB-CD2 3.85Å; A716-Y727 HydrophobicContact CB-CE1 4.31Å; A716-Y727 HydrophobicContact CB-CE2 3.8Å; A716-Y727 HydrophobicContact CB-CG 4.12Å; P717-Y727 VanDerWaalsContact O-CE2 3.29Å; P717-Y727 WeakPolarHBondContact O-CE2 3.4Å; P717-Y727 PolarHBondContact O-OH 3.02Å; L719-Y727 HydrophobicContact CD1-CD2 3.99Å; T723-Y727 PolarHBondContact O-N 3.41Å; W724-Y727 PolarHBondContact O-N 3.38Å | ||
| 728 | K | 92.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 30% | 0.3 | 26% | 0.26 | S | S | . | . | trans | -85 | 135.4 | 171 | -163.9 | 175 | -175.1 | -166.7 | 0 | 110.9 | H591 E602 Y726 L732 I733 | H591-K728 PolarHBondContact CE1-O 2.92Å; E602-K728 IonicContact OE1-NZ 2.91Å; E602-K728 PolarHBondContact OE1-NZ 2.89Å; E602-K728 WeakPolarHBondContact OE2-CD 3.49Å; E602-K728 IonicContact OE2-NZ 2.64Å; E602-K728 PolarHBondContact OE2-NZ 3.19Å; Y726-K728 PolarHBondContact O-N 3.44Å; K728-L732 WeakPolarHBondContact CE-O 3.38Å; K728-L732 HydrophobicContact CG-CB 4.43Å; K728-L732 PolarHBondContact NZ-O 3.47Å; K728-I733 HydrophobicContact CB-CD1 4.39Å; K728-I733 HydrophobicContact CB-CG1 4.07Å; K728-I733 HydrophobicContact CD-CG1 3.81Å; K728-I733 HydrophobicContact CG-CG1 3.91Å | ||
| 729 | A | 92.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -66.9 | 139.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I698 M699 H731 L732 I733 | I698-A729 CarbonylContact O-C 3.53Å; I698-A729 WeakPolarHBondContact O-CA 3.5Å; M699-A729 WeakPolarHBondContact O-CB 3.37Å; A729-H731 VanDerWaalsContact C-N 3.33Å; A729-H731 PolarHBondContact O-N 3.48Å; A729-L732 HydrophobicContact CB-CD1 4.13Å; A729-L732 HydrophobicContact CB-CG 4.24Å; A729-L732 WeakPolarHBondContact O-CB 3.41Å; A729-L732 PolarHBondContact O-N 3.33Å; A729-I733 PolarHBondContact O-N 3.19Å | ||
| 730 | A | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -49.9 | -45.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | P697 I698 M699 L732 I733 Q735 Y758 | P697-A730 HydrophobicContact CB-CB 4.17Å; P697-A730 HydrophobicContact CG-CB 3.67Å; I698-A730 PolarHBondContact O-N 3.31Å; M699-A730 HydrophobicContact SD-CB 3.89Å; A730-L732 PolarHBondContact O-N 3.27Å; A730-I733 PolarHBondContact O-N 3.03Å; A730-Q735 PolarHBondContact O-NE2 3.02Å; A730-Q735 VanDerWaalsContact O-NE2 3.12Å; A730-Y758 HydrophobicContact CB-CD1 3.43Å; A730-Y758 VanDerWaalsContact CB-CD1 3.43Å; A730-Y758 HydrophobicContact CB-CD2 3.96Å; A730-Y758 HydrophobicContact CB-CE1 3.69Å; A730-Y758 HydrophobicContact CB-CE2 4.24Å; A730-Y758 HydrophobicContact CB-CG 3.57Å; A730-Y758 WeakPolarHBondContact O-CB 3.42Å |
| 731 | H | 91.7 | Very high | 94.3 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.1 | -9.9 | -178.7 | -61.8 | 88.8 | 0 | 0 | 0 | 114.1 | A729 Y758 T760 K789 | A729-H731 VanDerWaalsContact C-N 3.33Å; A729-H731 PolarHBondContact O-N 3.48Å; H731-Y758 AromaticContact CE1-CD1 3.88Å; H731-Y758 AromaticContact NE2-CD1 3.97Å; H731-T760 HydrophobicContact CB-CG2 4.09Å; H731-K789 VanDerWaalsContact CD2-CB 3.49Å; H731-K789 WeakPolarHBondContact CD2-CB 3.26Å; H731-K789 WeakPolarHBondContact NE2-CB 3.41Å |
| 732 | L | 88.4 | Confident | 94.7 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 60% | 0.597 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -98.3 | -8.4 | 176.7 | -58.3 | -178.7 | 0 | 0 | 0 | 112.1 | K728 A729 A730 | K728-L732 WeakPolarHBondContact CE-O 3.38Å; K728-L732 HydrophobicContact CG-CB 4.43Å; K728-L732 PolarHBondContact NZ-O 3.47Å; A729-L732 HydrophobicContact CB-CD1 4.13Å; A729-L732 HydrophobicContact CB-CG 4.24Å; A729-L732 WeakPolarHBondContact O-CB 3.41Å; A729-L732 PolarHBondContact O-N 3.33Å; A730-L732 PolarHBondContact O-N 3.27Å |
| 733 | I | 92.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -76.5 | 135.4 | 177.3 | -71.4 | 166.4 | 0 | 0 | 0 | 109.1 | W601 E602 P697 K728 A729 A730 Q735 | W601-I733 HydrophobicContact CB-CD1 4.39Å; W601-I733 HydrophobicContact CD2-CD1 3.93Å; W601-I733 HydrophobicContact CG-CD1 3.82Å; W601-I733 HydrophobicContact CG-CG1 4.42Å; W601-I733 HydrophobicContact CG-CG2 4.42Å; E602-I733 HydrophobicContact CG-CG2 4.4Å; E602-I733 WeakPolarHBondContact OE1-CA 3.42Å; P697-I733 HydrophobicContact CB-CD1 3.37Å; P697-I733 HydrophobicContact CG-CD1 3.78Å; K728-I733 HydrophobicContact CB-CD1 4.39Å; K728-I733 HydrophobicContact CB-CG1 4.07Å; K728-I733 HydrophobicContact CD-CG1 3.81Å; K728-I733 HydrophobicContact CG-CG1 3.91Å; A729-I733 PolarHBondContact O-N 3.19Å; A730-I733 PolarHBondContact O-N 3.03Å; I733-Q735 PolarHBondContact O-N 2.82Å; I733-Q735 VanDerWaalsContact O-N 3.15Å; I733-Q735 PolarHBondContact O-NE2 3.47Å |
| 734 | D | 93.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | trans | -64.6 | 110.9 | 162.5 | 172 | 6.9 | 0 | 0 | 0 | 108.6 | E602 S736 W737 | E602-D734 PolarHBondContact OE1-N 2.96Å; D734-S736 PolarHBondContact O-N 2.8Å; D734-S736 VanDerWaalsContact O-N 3.12Å; D734-S736 VanDerWaalsContact OD1-CB 3.3Å; D734-S736 WeakPolarHBondContact OD1-CB 3.37Å; D734-S736 PolarHBondContact OD1-N 3.31Å; D734-S736 PolarHBondContact OD1-OG 3.44Å; D734-S736 PolarHBondContact OD2-OG 3.31Å; D734-W737 PolarHBondContact O-N 3.28Å; D734-W737 VanDerWaalsContact O-N 3.15Å | ||
| 735 | Q | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -16.2 | -172.7 | -59.7 | -58.2 | -66.1 | 0 | 0 | 112.8 | A730 I733 W737 S738 V739 L757 Y758 Y763 L771 | A730-Q735 PolarHBondContact O-NE2 3.02Å; A730-Q735 VanDerWaalsContact O-NE2 3.12Å; I733-Q735 PolarHBondContact O-N 2.82Å; I733-Q735 VanDerWaalsContact O-N 3.15Å; I733-Q735 PolarHBondContact O-NE2 3.47Å; Q735-W737 PolarHBondContact O-N 2.85Å; Q735-S738 WeakPolarHBondContact O-CB 3.23Å; Q735-S738 PolarHBondContact O-N 3.42Å; Q735-S738 VanDerWaalsContact O-N 3.12Å; Q735-V739 WeakPolarHBondContact O-CG2 2.88Å; Q735-V739 PolarHBondContact O-N 2.61Å; Q735-L757 HydrophobicContact CB-CD2 4.27Å; Q735-Y758 WeakPolarHBondContact CG-O 3.46Å; Q735-Y758 PolarHBondContact NE2-O 2.76Å; Q735-Y763 WeakPolarHBondContact CG-OH 3.43Å; Q735-Y763 PolarHBondContact N-OH 3.28Å; Q735-L771 HydrophobicContact CB-CD1 3.74Å; Q735-L771 HydrophobicContact CB-CD2 3.79Å; Q735-L771 HydrophobicContact CB-CG 4.44Å; Q735-L771 HydrophobicContact CG-CD1 4.37Å |
| 736 | S | 96.7 | Very high | 95.7 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -34.5 | 173.7 | 76.6 | 0 | 0 | 0 | 0 | 112 | D734 V739 R740 | D734-S736 PolarHBondContact O-N 2.8Å; D734-S736 VanDerWaalsContact O-N 3.12Å; D734-S736 VanDerWaalsContact OD1-CB 3.3Å; D734-S736 WeakPolarHBondContact OD1-CB 3.37Å; D734-S736 PolarHBondContact OD1-N 3.31Å; D734-S736 PolarHBondContact OD1-OG 3.44Å; D734-S736 PolarHBondContact OD2-OG 3.31Å; S736-V739 PolarHBondContact O-N 3.39Å; S736-R740 WeakPolarHBondContact O-CG 3.21Å; S736-R740 PolarHBondContact O-N 2.93Å |
| 737 | W | 98 | Very high | 95.8 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 17% | 0.167 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -41.9 | 174.9 | -72.2 | 90.8 | 0 | 0 | 0 | 111.7 | E602 S603 L607 D734 Q735 V739 R740 A741 | E602-W737 HydrophobicContact CB-CD2 4.03Å; E602-W737 HydrophobicContact CB-CG 3.96Å; E602-W737 HydrophobicContact CG-CB 4.27Å; E602-W737 HydrophobicContact CG-CD2 4.49Å; E602-W737 HydrophobicContact CG-CG 3.89Å; S603-W737 WeakPolarHBondContact O-CZ3 3.44Å; L607-W737 HydrophobicContact CD1-CE3 4.17Å; L607-W737 HydrophobicContact CD1-CZ3 3.89Å; L607-W737 HydrophobicContact CG-CE3 4.3Å; L607-W737 HydrophobicContact CG-CZ3 4.21Å; D734-W737 PolarHBondContact O-N 3.28Å; D734-W737 VanDerWaalsContact O-N 3.15Å; Q735-W737 PolarHBondContact O-N 2.85Å; W737-V739 VanDerWaalsContact C-N 3.33Å; W737-V739 PolarHBondContact O-N 3.15Å; W737-R740 VanDerWaalsContact CE3-NH2 3.29Å; W737-R740 VanDerWaalsContact CZ2-NH2 3.26Å; W737-R740 PolarHBondContact O-N 3.46Å; W737-A741 WeakPolarHBondContact O-CB 3.16Å; W737-A741 PolarHBondContact O-N 3.42Å |
| 738 | S | 97.9 | Very high | 96 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | W601 Q735 A742 | W601-S738 PolarHBondContact NE1-OG 3.04Å; W601-S738 VanDerWaalsContact NE1-OG 3.1Å; Q735-S738 WeakPolarHBondContact O-CB 3.23Å; Q735-S738 PolarHBondContact O-N 3.42Å; Q735-S738 VanDerWaalsContact O-N 3.12Å; S738-A742 WeakPolarHBondContact O-CB 3.46Å; S738-A742 PolarHBondContact O-N 2.92Å |
| 739 | V | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | Q735 S736 W737 A741 A742 G743 M755 L757 L771 E774 A775 | Q735-V739 WeakPolarHBondContact O-CG2 2.88Å; Q735-V739 PolarHBondContact O-N 2.61Å; S736-V739 PolarHBondContact O-N 3.39Å; W737-V739 VanDerWaalsContact C-N 3.33Å; W737-V739 PolarHBondContact O-N 3.15Å; V739-A741 PolarHBondContact O-N 3.46Å; V739-A742 WeakPolarHBondContact O-CB 3.11Å; V739-A742 PolarHBondContact O-N 3.26Å; V739-A742 VanDerWaalsContact O-N 3.16Å; V739-G743 PolarHBondContact O-N 3.4Å; V739-M755 HydrophobicContact CB-CE 4.26Å; V739-M755 HydrophobicContact CG2-CE 3.69Å; V739-L757 HydrophobicContact CG2-CD2 3.99Å; V739-L771 HydrophobicContact CG2-CB 4.48Å; V739-L771 HydrophobicContact CG2-CD2 4.19Å; V739-E774 HydrophobicContact CG1-CB 3.9Å; V739-A775 VanDerWaalsContact CG1-CA 3.43Å; V739-A775 HydrophobicContact CG1-CB 3.79Å; V739-A775 VanDerWaalsContact CG1-N 3.33Å |
| 740 | R | 98.3 | Very high | 96.6 | Very high | 89 Ų | 89 | 25.4 Ų | 25.4 | 34% | 0.336 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.7 | -76.7 | -174.3 | -74.2 | 155.3 | -9.8 | 112.2 | L607 S736 W737 A742 G743 L744 | L607-R740 HydrophobicContact CD1-CB 4.37Å; L607-R740 HydrophobicContact CD2-CB 4.24Å; S736-R740 WeakPolarHBondContact O-CG 3.21Å; S736-R740 PolarHBondContact O-N 2.93Å; W737-R740 VanDerWaalsContact CE3-NH2 3.29Å; W737-R740 VanDerWaalsContact CZ2-NH2 3.26Å; W737-R740 PolarHBondContact O-N 3.46Å; R740-A742 VanDerWaalsContact C-N 3.28Å; R740-A742 PolarHBondContact O-N 3.46Å; R740-G743 PolarHBondContact O-N 3.2Å; R740-L744 PolarHBondContact O-N 3.01Å; R740-L744 VanDerWaalsContact O-N 3.14Å |
| 741 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L607 W737 V739 L744 R745 | L607-A741 HydrophobicContact CD2-CB 3.69Å; W737-A741 WeakPolarHBondContact O-CB 3.16Å; W737-A741 PolarHBondContact O-N 3.42Å; V739-A741 PolarHBondContact O-N 3.46Å; A741-L744 PolarHBondContact O-N 3.45Å; A741-R745 WeakPolarHBondContact O-CG 3.42Å; A741-R745 PolarHBondContact O-N 2.99Å; A741-R745 PolarHBondContact O-NH1 3.41Å |
| 742 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S738 V739 R740 L744 R745 Q746 Q753 M755 V780 | S738-A742 WeakPolarHBondContact O-CB 3.46Å; S738-A742 PolarHBondContact O-N 2.92Å; V739-A742 WeakPolarHBondContact O-CB 3.11Å; V739-A742 PolarHBondContact O-N 3.26Å; V739-A742 VanDerWaalsContact O-N 3.16Å; R740-A742 VanDerWaalsContact C-N 3.28Å; R740-A742 PolarHBondContact O-N 3.46Å; A742-L744 PolarHBondContact O-N 2.89Å; A742-R745 PolarHBondContact O-N 2.81Å; A742-Q746 WeakPolarHBondContact O-CB 3.46Å; A742-Q746 PolarHBondContact O-N 3.45Å; A742-Q753 PolarHBondContact O-NE2 2.85Å; A742-M755 HydrophobicContact CB-CE 4.25Å; A742-M755 HydrophobicContact CB-CG 4.32Å; A742-M755 HydrophobicContact CB-SD 3.4Å; A742-M755 WeakPolarHBondContact CB-SD 3.42Å; A742-V780 HydrophobicContact CB-CG2 3.9Å |
| 743 | G | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 9% | 0.093 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V739 R740 Q746 R747 A778 | V739-G743 PolarHBondContact O-N 3.4Å; R740-G743 PolarHBondContact O-N 3.2Å; G743-Q746 WeakPolarHBondContact O-CB 3.16Å; G743-Q746 PolarHBondContact O-N 2.77Å; G743-R747 PolarHBondContact O-N 3.25Å; G743-A778 WeakPolarHBondContact CA-O 3.34Å |
| 744 | L | 97.9 | Very high | 97.8 | Very high | 57 Ų | 57 | 18.4 Ų | 18.4 | 30% | 0.298 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 177 | -69.4 | 172.3 | 0 | 0 | 0 | 111.8 | L607 R740 A741 A742 Q746 R747 H748 | L607-L744 HydrophobicContact CB-CD1 3.65Å; L607-L744 HydrophobicContact CD2-CD1 4.1Å; L607-L744 HydrophobicContact CG-CD1 4.3Å; R740-L744 PolarHBondContact O-N 3.01Å; R740-L744 VanDerWaalsContact O-N 3.14Å; A741-L744 PolarHBondContact O-N 3.45Å; A742-L744 PolarHBondContact O-N 2.89Å; L744-Q746 VanDerWaalsContact C-N 3.25Å; L744-Q746 PolarHBondContact O-N 3.37Å; L744-R747 WeakPolarHBondContact O-CB 3.32Å; L744-R747 PolarHBondContact O-N 3.23Å; L744-H748 PolarHBondContact O-CD2 3Å; L744-H748 VanDerWaalsContact O-CD2 3.3Å |
| 745 | R | 97.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 175.6 | -66.7 | -175 | -57.2 | -93.8 | -0.1 | 112.1 | Y590 T610 F614 A741 A742 R747 H748 I749 Q753 | Y590-R745 VanDerWaalsContact CZ-NH1 3.28Å; Y590-R745 PolarHBondContact OH-NH1 3.24Å; T610-R745 HydrophobicContact CG2-CG 3.17Å; F614-R745 HydrophobicContact CD1-CB 4.05Å; F614-R745 HydrophobicContact CD1-CG 4.11Å; F614-R745 HydrophobicContact CD2-CB 4.5Å; F614-R745 HydrophobicContact CD2-CG 3.7Å; F614-R745 HydrophobicContact CE1-CB 4.19Å; F614-R745 HydrophobicContact CE1-CG 4.16Å; F614-R745 HydrophobicContact CE2-CG 3.75Å; F614-R745 HydrophobicContact CG-CB 4.21Å; F614-R745 HydrophobicContact CG-CG 3.88Å; F614-R745 HydrophobicContact CZ-CB 4.47Å; F614-R745 HydrophobicContact CZ-CG 3.98Å; A741-R745 WeakPolarHBondContact O-CG 3.42Å; A741-R745 PolarHBondContact O-N 2.99Å; A741-R745 PolarHBondContact O-NH1 3.41Å; A742-R745 PolarHBondContact O-N 2.81Å; R745-R747 PolarHBondContact O-N 3.09Å; R745-H748 PolarHBondContact O-N 3.26Å; R745-I749 HydrophobicContact CB-CD1 4.16Å; R745-I749 WeakPolarHBondContact O-CG1 3.33Å; R745-I749 PolarHBondContact O-N 3.22Å; R745-Q753 VanDerWaalsContact NE-OE1 3.14Å |
| 746 | Q | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -29.5 | -174.2 | -166.7 | 60.6 | 79.7 | 0 | 0 | 112.6 | A742 G743 L744 H748 I749 Q751 Q753 G779 K781 | A742-Q746 WeakPolarHBondContact O-CB 3.46Å; A742-Q746 PolarHBondContact O-N 3.45Å; G743-Q746 WeakPolarHBondContact O-CB 3.16Å; G743-Q746 PolarHBondContact O-N 2.77Å; L744-Q746 VanDerWaalsContact C-N 3.25Å; L744-Q746 PolarHBondContact O-N 3.37Å; Q746-H748 PolarHBondContact O-N 2.7Å; Q746-I749 PolarHBondContact NE2-O 2.89Å; Q746-I749 PolarHBondContact O-N 3.17Å; Q746-Q751 PolarHBondContact NE2-O 3.4Å; Q746-Q753 VanDerWaalsContact OE1-NE2 3.09Å; Q746-G779 VanDerWaalsContact CG-O 3.32Å; Q746-G779 WeakPolarHBondContact CG-O 3.36Å; Q746-K781 HydrophobicContact CG-CB 4.37Å; Q746-K781 HydrophobicContact CG-CD 4.18Å; Q746-K781 HydrophobicContact CG-CG 3.89Å |
| 747 | R | 97.3 | Very high | 98 | Very high | 77 Ų | 77 | 14.8 Ų | 14.8 | 29% | 0.291 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -56 | -40.5 | 172.7 | -176.3 | 175.8 | 70.6 | 139 | -10.9 | 111.9 | D611 R652 G743 L744 R745 | D611-R747 IonicContact OD1-CZ 3.61Å; D611-R747 IonicContact OD1-NE 2.72Å; D611-R747 IonicContact OD1-NH2 2.68Å; D611-R747 PolarHBondContact OD1-NH2 3.2Å; D611-R747 IonicContact OD2-NH2 3.2Å; D611-R747 PolarHBondContact OD2-NH2 3.27Å; R652-R747 HydrophobicContact CB-CG 4.29Å; R652-R747 WeakPolarHBondContact CD-O 3.4Å; R652-R747 HydrophobicContact CG-CG 4.48Å; R652-R747 VanDerWaalsContact CG-O 3.3Å; R652-R747 WeakPolarHBondContact CG-O 3.29Å; R652-R747 PolarHBondContact NE-O 3.28Å; R652-R747 VanDerWaalsContact NE-O 3.13Å; R652-R747 PolarHBondContact O-NH1 2.86Å; G743-R747 PolarHBondContact O-N 3.25Å; L744-R747 WeakPolarHBondContact O-CB 3.32Å; L744-R747 PolarHBondContact O-N 3.23Å; R745-R747 PolarHBondContact O-N 3.09Å |
| 748 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -85.3 | -20.5 | -176.3 | -54.8 | -69 | 0 | 0 | 0 | 113.5 | D611 F614 E615 N618 Y654 L677 L744 R745 Q746 | D611-H748 PolarHBondContact O-NE2 3.47Å; D611-H748 IonicContact OD1-CD2 2.88Å; D611-H748 IonicContact OD1-CE1 3.93Å; D611-H748 IonicContact OD1-NE2 3.9Å; D611-H748 PolarHBondContact OD1-NE2 3.49Å; F614-H748 HydrophobicContact CB-CB 3.93Å; E615-H748 WeakPolarHBondContact CA-ND1 3.23Å; E615-H748 VanDerWaalsContact CB-CE1 3.45Å; E615-H748 WeakPolarHBondContact CB-CE1 3.34Å; N618-H748 HydrophobicContact CB-CB 4.18Å; N618-H748 PolarHBondContact OD1-O 3.07Å; Y654-H748 AromaticContact CE1-ND1 3.76Å; Y654-H748 AromaticContact CZ-ND1 3.68Å; Y654-H748 WeakPolarHBondContact OH-CA 3.23Å; Y654-H748 PolarHBondContact OH-ND1 3.44Å; L677-H748 WeakPolarHBondContact CD1-O 3.49Å; L744-H748 PolarHBondContact O-CD2 3Å; L744-H748 VanDerWaalsContact O-CD2 3.3Å; R745-H748 PolarHBondContact O-N 3.26Å; Q746-H748 PolarHBondContact O-N 2.7Å |
| 749 | I | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | trans | -92 | 119.2 | -178.4 | -58.7 | 161.8 | 0 | 0 | 0 | 109.5 | F614 L677 V679 R745 Q746 Q753 K781 | F614-I749 HydrophobicContact CD1-CD1 4.2Å; F614-I749 HydrophobicContact CD1-CG1 4.17Å; F614-I749 HydrophobicContact CE1-CD1 3.96Å; F614-I749 HydrophobicContact CE1-CG1 4.29Å; L677-I749 HydrophobicContact CB-CG2 4.17Å; L677-I749 WeakPolarHBondContact O-CG2 3.37Å; V679-I749 HydrophobicContact CG2-CD1 3.62Å; V679-I749 HydrophobicContact CG2-CG1 4.33Å; R745-I749 HydrophobicContact CB-CD1 4.16Å; R745-I749 WeakPolarHBondContact O-CG1 3.33Å; R745-I749 PolarHBondContact O-N 3.22Å; Q746-I749 PolarHBondContact NE2-O 2.89Å; Q746-I749 PolarHBondContact O-N 3.17Å; I749-Q753 HydrophobicContact CD1-CB 4.19Å; I749-K781 PolarHBondContact O-NZ 3.03Å | ||
| 750 | D | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -70.9 | -38.6 | 179.3 | 64.9 | -51.7 | 0 | 0 | 0 | 113 | P479 Y648 Y675 L676 L677 K781 | P479-D750 HydrophobicContact CG-CB 4.39Å; Y648-D750 HydrophobicContact CE2-CB 3.85Å; Y675-D750 WeakPolarHBondContact CA-OD2 3.18Å; L676-D750 PolarHBondContact N-OD2 3.49Å; L677-D750 WeakPolarHBondContact CA-OD1 3.4Å; L677-D750 WeakPolarHBondContact CB-OD1 3.34Å; L677-D750 PolarHBondContact N-OD1 3.37Å; L677-D750 VanDerWaalsContact O-OD1 3.08Å; D750-K781 PolarHBondContact O-NZ 3.35Å |
| 751 | Q | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -87.2 | -134.2 | 168.1 | -55.9 | 178.6 | 75.4 | 0 | 0 | 110.7 | E494 A496 I583 Y675 L677 A678 Q746 K781 | E494-Q751 WeakPolarHBondContact O-CB 3.38Å; A496-Q751 HydrophobicContact CB-CB 4.17Å; I583-Q751 PolarHBondContact O-NE2 3.11Å; Y675-Q751 HydrophobicContact CD1-CG 3.99Å; Y675-Q751 HydrophobicContact CG-CG 4.35Å; L677-Q751 VanDerWaalsContact O-CB 3.26Å; L677-Q751 WeakPolarHBondContact O-CB 3.31Å; L677-Q751 PolarHBondContact O-N 2.9Å; A678-Q751 HydrophobicContact CB-CB 4.06Å; Q746-Q751 PolarHBondContact NE2-O 3.4Å; Q751-K781 WeakPolarHBondContact O-CD 3.35Å; Q751-K781 WeakPolarHBondContact O-CE 3.41Å; Q751-K781 PolarHBondContact O-NZ 3.5Å |
| 752 | A | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -126.7 | -176.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E494 V679 K781 T782 | E494-A752 CarbonylContact O-C 3.51Å; E494-A752 WeakPolarHBondContact O-CA 3.49Å; E494-A752 WeakPolarHBondContact O-CB 3.44Å; E494-A752 PolarHBondContact O-N 3.04Å; V679-A752 PolarHBondContact N-O 3.44Å; A752-K781 HydrophobicContact CB-CB 4Å; A752-K781 HydrophobicContact CB-CD 4.46Å; A752-T782 HydrophobicContact CB-CG2 3.99Å; A752-T782 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 753 | Q | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 135.7 | 178.9 | 72.3 | -168.1 | -80.5 | 0 | 0 | 110.4 | V679 I695 A742 R745 Q746 I749 M755 T782 | V679-Q753 HydrophobicContact CB-CB 3.79Å; V679-Q753 HydrophobicContact CG1-CB 4.4Å; V679-Q753 HydrophobicContact CG2-CB 4.44Å; V679-Q753 WeakPolarHBondContact O-CA 3.41Å; I695-Q753 HydrophobicContact CD1-CB 4.12Å; I695-Q753 HydrophobicContact CD1-CG 4.03Å; I695-Q753 VanDerWaalsContact CD1-OE1 3.26Å; A742-Q753 PolarHBondContact O-NE2 2.85Å; R745-Q753 VanDerWaalsContact NE-OE1 3.14Å; Q746-Q753 VanDerWaalsContact OE1-NE2 3.09Å; I749-Q753 HydrophobicContact CD1-CB 4.19Å; Q753-M755 HydrophobicContact CG-CB 4.34Å; Q753-M755 PolarHBondContact O-N 3.48Å; Q753-T782 PolarHBondContact O-OG1 2.84Å |
| 754 | S | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | trans | -77.9 | 70.8 | 178.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | C492 E494 V679 P681 | C492-S754 VanDerWaalsContact O-CB 3.24Å; C492-S754 WeakPolarHBondContact O-CB 3.47Å; C492-S754 PolarHBondContact O-OG 2.81Å; E494-S754 WeakPolarHBondContact CB-OG 3.4Å; E494-S754 PolarHBondContact OE2-OG 3.43Å; V679-S754 PolarHBondContact O-N 2.99Å; V679-S754 PolarHBondContact O-OG 3.19Å; P681-S754 VanDerWaalsContact CD-OG 3.32Å; P681-S754 WeakPolarHBondContact CD-OG 3.3Å | ||
| 755 | M | 95.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | trans | -77.3 | 127.5 | -179.3 | -178.4 | -169 | 174.5 | 0 | 0 | 111.5 | I695 V739 A742 Q753 L757 V780 Y784 | I695-M755 HydrophobicContact CD1-CB 4.34Å; V739-M755 HydrophobicContact CB-CE 4.26Å; V739-M755 HydrophobicContact CG2-CE 3.69Å; A742-M755 HydrophobicContact CB-CE 4.25Å; A742-M755 HydrophobicContact CB-CG 4.32Å; A742-M755 HydrophobicContact CB-SD 3.4Å; A742-M755 WeakPolarHBondContact CB-SD 3.42Å; Q753-M755 HydrophobicContact CG-CB 4.34Å; Q753-M755 PolarHBondContact O-N 3.48Å; M755-L757 HydrophobicContact CE-CD2 3.61Å; M755-V780 HydrophobicContact SD-CG1 4.37Å; M755-Y784 WeakPolarHBondContact O-CB 3.4Å; M755-Y784 PolarHBondContact O-N 3.22Å | ||
| 756 | N | 97.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | trans | -98.6 | 151.6 | 169.6 | -58.8 | -59.5 | 0 | 0 | 0 | 111.8 | D696 Y758 Y784 Y785 | D696-N756 VanDerWaalsContact CG-ND2 3.3Å; D696-N756 WeakPolarHBondContact OD1-CB 3.45Å; D696-N756 PolarHBondContact OD1-ND2 3.2Å; D696-N756 PolarHBondContact OD2-ND2 3.36Å; N756-Y758 HydrophobicContact CB-CE2 3.75Å; N756-Y784 VanDerWaalsContact OD1-CD1 3.29Å; N756-Y784 WeakPolarHBondContact OD1-CD1 3.4Å; N756-Y785 CarbonylContact C-O 3.49Å; N756-Y785 VanDerWaalsContact CA-O 3.25Å; N756-Y785 WeakPolarHBondContact CA-O 3.21Å; N756-Y785 WeakPolarHBondContact OD1-CB 3.49Å; N756-Y785 PolarHBondContact OD1-N 2.99Å; N756-Y785 VanDerWaalsContact OD1-N 3.15Å | ||
| 757 | L | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.9 | 166.8 | -64.1 | 175.9 | 0 | 0 | 0 | 109.4 | Q735 V739 M755 L771 Y772 I783 Y785 V786 R787 | Q735-L757 HydrophobicContact CB-CD2 4.27Å; V739-L757 HydrophobicContact CG2-CD2 3.99Å; M755-L757 HydrophobicContact CE-CD2 3.61Å; L757-L771 HydrophobicContact CD1-CB 4.23Å; L757-L771 HydrophobicContact CD1-CD1 4.27Å; L757-L771 HydrophobicContact CD2-CD1 4.37Å; L757-Y772 HydrophobicContact CD1-CE2 4.16Å; L757-I783 HydrophobicContact CD1-CD1 4.44Å; L757-I783 HydrophobicContact CD1-CG2 4.21Å; L757-I783 HydrophobicContact CG-CG2 4.27Å; L757-Y785 PolarHBondContact N-O 2.77Å; L757-V786 HydrophobicContact CB-CG2 4.35Å; L757-V786 HydrophobicContact CD1-CG2 4.36Å; L757-V786 CarbonylContact O-C 3.59Å; L757-R787 PolarHBondContact O-N 3.13Å |
| 758 | Y | 95.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.4 | 179.9 | -60.8 | -96.2 | 0 | 0 | 0 | 109.4 | D696 P697 M699 A730 H731 Q735 N756 R787 | D696-Y758 WeakPolarHBondContact CB-OH 3.23Å; D696-Y758 WeakPolarHBondContact OD1-CE2 3.43Å; D696-Y758 PolarHBondContact OD1-OH 2.76Å; P697-Y758 HydrophobicContact CG-CD2 4.18Å; P697-Y758 HydrophobicContact CG-CE2 3.99Å; M699-Y758 HydrophobicContact CE-CD1 4.01Å; M699-Y758 HydrophobicContact CE-CE1 3.42Å; M699-Y758 VanDerWaalsContact CE-CE1 3.42Å; M699-Y758 HydrophobicContact SD-CD1 3.93Å; M699-Y758 HydrophobicContact SD-CE1 3.59Å; M699-Y758 VanDerWaalsContact SD-CE1 3.59Å; A730-Y758 HydrophobicContact CB-CD1 3.43Å; A730-Y758 VanDerWaalsContact CB-CD1 3.43Å; A730-Y758 HydrophobicContact CB-CD2 3.96Å; A730-Y758 HydrophobicContact CB-CE1 3.69Å; A730-Y758 HydrophobicContact CB-CE2 4.24Å; A730-Y758 HydrophobicContact CB-CG 3.57Å; A730-Y758 WeakPolarHBondContact O-CB 3.42Å; H731-Y758 AromaticContact CE1-CD1 3.88Å; H731-Y758 AromaticContact NE2-CD1 3.97Å; Q735-Y758 WeakPolarHBondContact CG-O 3.46Å; Q735-Y758 PolarHBondContact NE2-O 2.76Å; N756-Y758 HydrophobicContact CB-CE2 3.75Å; Y758-R787 WeakPolarHBondContact CA-O 3.16Å; Y758-R787 HydrophobicContact CD1-CB 3.94Å; Y758-R787 HydrophobicContact CE1-CB 4.28Å; Y758-R787 HydrophobicContact CE1-CG 4.36Å |
| 759 | I | 91.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150.6 | -174.9 | 65.6 | 171.3 | 0 | 0 | 0 | 111.1 | V461 Y763 V768 V786 R787 S788 K789 | V461-I759 HydrophobicContact CB-CD1 4.44Å; V461-I759 HydrophobicContact CG1-CD1 4.33Å; V461-I759 HydrophobicContact CG2-CD1 3.79Å; I759-Y763 HydrophobicContact CB-CD2 3.89Å; I759-Y763 HydrophobicContact CB-CE2 4.43Å; I759-Y763 HydrophobicContact CB-CG 3.97Å; I759-Y763 HydrophobicContact CG2-CD1 4.09Å; I759-Y763 HydrophobicContact CG2-CD2 4.12Å; I759-Y763 HydrophobicContact CG2-CE1 4.38Å; I759-Y763 HydrophobicContact CG2-CE2 4.37Å; I759-Y763 HydrophobicContact CG2-CG 3.95Å; I759-V768 HydrophobicContact CD1-CG2 4.25Å; I759-V786 HydrophobicContact CD1-CG1 3.49Å; I759-V786 VanDerWaalsContact CD1-CG1 3.49Å; I759-V786 HydrophobicContact CG1-CG1 3.82Å; I759-V786 HydrophobicContact CG2-CG1 4.49Å; I759-R787 PolarHBondContact N-O 2.81Å; I759-S788 WeakPolarHBondContact O-CA 3.49Å; I759-K789 PolarHBondContact O-N 3.4Å |
| 760 | T | 85.7 | Confident | 92.2 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 177.3 | 169.8 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | H731 D762 Y763 L791 | H731-T760 HydrophobicContact CB-CG2 4.09Å; T760-D762 PolarHBondContact O-N 3.08Å; T760-D762 VanDerWaalsContact O-N 3.12Å; T760-D762 WeakPolarHBondContact OG1-CB 3.48Å; T760-D762 PolarHBondContact OG1-N 3.14Å; T760-D762 PolarHBondContact OG1-OD2 3.5Å; T760-Y763 PolarHBondContact O-N 3Å; T760-Y763 VanDerWaalsContact O-N 3.16Å; T760-L791 HydrophobicContact CG2-CD2 4.23Å |
| 761 | N | 78.2 | Confident | 92.2 | Very high | 107 Ų | 107 | 42 Ų | 42 | 57% | 0.572 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12 | 172.4 | -65.6 | -12 | 0 | 0 | 0 | 113.3 | Y763 | N761-Y763 PolarHBondContact O-N 2.72Š|
| 762 | D | 76.5 | Confident | 92.2 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.3 | 177.4 | -41.5 | -46.8 | 0 | 0 | 0 | 111.9 | T760 S764 Q767 L791 | T760-D762 PolarHBondContact O-N 3.08Å; T760-D762 VanDerWaalsContact O-N 3.12Å; T760-D762 WeakPolarHBondContact OG1-CB 3.48Å; T760-D762 PolarHBondContact OG1-N 3.14Å; T760-D762 PolarHBondContact OG1-OD2 3.5Å; D762-S764 PolarHBondContact O-N 2.99Å; D762-Q767 PolarHBondContact O-OE1 3.41Å; D762-L791 WeakPolarHBondContact OD1-CD1 3.44Å |
| 763 | Y | 82.6 | Confident | 92.2 | Very high | 49 Ų | 49 | 43 Ų | 43 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | trans | -78.8 | 108.7 | 173.1 | -83.8 | -100 | 0 | 0 | 0 | 110.6 | Q735 I759 T760 N761 Q767 V768 L771 | Q735-Y763 WeakPolarHBondContact CG-OH 3.43Å; Q735-Y763 PolarHBondContact N-OH 3.28Å; I759-Y763 HydrophobicContact CB-CD2 3.89Å; I759-Y763 HydrophobicContact CB-CE2 4.43Å; I759-Y763 HydrophobicContact CB-CG 3.97Å; I759-Y763 HydrophobicContact CG2-CD1 4.09Å; I759-Y763 HydrophobicContact CG2-CD2 4.12Å; I759-Y763 HydrophobicContact CG2-CE1 4.38Å; I759-Y763 HydrophobicContact CG2-CE2 4.37Å; I759-Y763 HydrophobicContact CG2-CG 3.95Å; T760-Y763 PolarHBondContact O-N 3Å; T760-Y763 VanDerWaalsContact O-N 3.16Å; N761-Y763 PolarHBondContact O-N 2.72Å; Y763-Q767 HydrophobicContact CD1-CB 3.77Å; Y763-Q767 HydrophobicContact CE1-CB 4.35Å; Y763-V768 HydrophobicContact CD1-CG2 4.31Å; Y763-L771 HydrophobicContact CD1-CD1 4.31Å; Y763-L771 HydrophobicContact CE1-CD1 3.77Å | ||
| 764 | S | 86.8 | Confident | 92.2 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | trans | -65.3 | 154.9 | 163.6 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | D762 R766 Q767 V768 | D762-S764 PolarHBondContact O-N 2.99Å; S764-R766 PolarHBondContact O-N 2.84Å; S764-Q767 WeakPolarHBondContact O-CB 3.1Å; S764-Q767 PolarHBondContact O-N 2.79Å; S764-Q767 PolarHBondContact OG-N 3.45Å; S764-Q767 PolarHBondContact OG-OE1 3.31Å; S764-V768 PolarHBondContact O-N 3.07Å; S764-V768 VanDerWaalsContact O-N 3.08Å | ||
| 765 | M | 86 | Confident | 92.2 | Very high | 85 Ų | 85 | 45 Ų | 45 | 42% | 0.419 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.8 | -32.4 | 173.2 | -71.3 | -68.2 | 175.3 | 0 | 0 | 112.7 | L457 R458 V461 V768 L769 | L457-M765 HydrophobicContact CB-SD 3.67Å; R458-M765 HydrophobicContact CB-CE 4.32Å; V461-M765 HydrophobicContact CB-CE 4.34Å; V461-M765 HydrophobicContact CG2-CE 4.11Å; V461-M765 HydrophobicContact CG2-SD 4.29Å; M765-V768 PolarHBondContact O-N 3.15Å; M765-L769 WeakPolarHBondContact O-CB 3.29Å; M765-L769 PolarHBondContact O-N 3.01Å |
| 766 | R | 89.7 | Confident | 92.3 | Very high | 206 Ų | 206 | 46.4 Ų | 46.4 | 78% | 0.777 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.8 | -39 | 176.1 | -70.7 | -173.2 | -73.4 | -173.1 | -3.5 | 112.4 | S764 R770 | S764-R766 PolarHBondContact O-N 2.84Å; R766-R770 PolarHBondContact O-N 2.88Å; R766-R770 VanDerWaalsContact O-N 3.1Å |
| 767 | Q | 92.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.8 | -40.6 | 176 | -74 | 157.1 | -62.4 | 0 | 0 | 111.2 | D762 Y763 S764 R770 L771 | D762-Q767 PolarHBondContact O-OE1 3.41Å; Y763-Q767 HydrophobicContact CD1-CB 3.77Å; Y763-Q767 HydrophobicContact CE1-CB 4.35Å; S764-Q767 WeakPolarHBondContact O-CB 3.1Å; S764-Q767 PolarHBondContact O-N 2.79Å; S764-Q767 PolarHBondContact OG-N 3.45Å; S764-Q767 PolarHBondContact OG-OE1 3.31Å; Q767-R770 WeakPolarHBondContact O-CB 3.41Å; Q767-R770 PolarHBondContact O-N 3.02Å; Q767-L771 PolarHBondContact O-N 3.15Å |
| 768 | V | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | L457 V461 I759 Y763 S764 M765 R770 L771 Y772 | L457-V768 HydrophobicContact CD2-CB 4.38Å; L457-V768 HydrophobicContact CD2-CG1 3.8Å; V461-V768 HydrophobicContact CG2-CG2 4.42Å; I759-V768 HydrophobicContact CD1-CG2 4.25Å; Y763-V768 HydrophobicContact CD1-CG2 4.31Å; S764-V768 PolarHBondContact O-N 3.07Å; S764-V768 VanDerWaalsContact O-N 3.08Å; M765-V768 PolarHBondContact O-N 3.15Å; V768-R770 VanDerWaalsContact C-N 3.26Å; V768-R770 PolarHBondContact O-N 3.41Å; V768-L771 WeakPolarHBondContact O-CB 3.24Å; V768-L771 PolarHBondContact O-N 2.69Å; V768-L771 VanDerWaalsContact O-N 3.11Å; V768-Y772 HydrophobicContact CG1-CD2 4.22Å; V768-Y772 HydrophobicContact CG1-CE2 3.97Å; V768-Y772 WeakPolarHBondContact O-CD2 3.24Å; V768-Y772 PolarHBondContact O-N 2.66Å |
| 769 | L | 97.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.12 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.7 | -43.6 | 174 | 179.7 | 54.3 | 0 | 0 | 0 | 111.9 | W394 I401 V453 L457 M765 L771 Y772 L773 | W394-L769 HydrophobicContact CZ3-CD1 4.31Å; I401-L769 HydrophobicContact CD1-CD2 3.88Å; V453-L769 HydrophobicContact CG1-CD1 3.7Å; V453-L769 HydrophobicContact CG1-CD2 4.05Å; V453-L769 HydrophobicContact CG1-CG 4.38Å; L457-L769 HydrophobicContact CD1-CB 3.74Å; L457-L769 HydrophobicContact CD1-CD1 4.42Å; M765-L769 WeakPolarHBondContact O-CB 3.29Å; M765-L769 PolarHBondContact O-N 3.01Å; L769-L771 VanDerWaalsContact C-N 3.3Å; L769-L771 PolarHBondContact O-N 2.9Å; L769-Y772 PolarHBondContact O-N 3.33Å; L769-Y772 VanDerWaalsContact O-N 3.13Å; L769-L773 HydrophobicContact CD1-CD1 4.32Å; L769-L773 HydrophobicContact CD1-CG 4.15Å; L769-L773 HydrophobicContact CG-CD1 4.07Å; L769-L773 HydrophobicContact CG-CG 4.36Å; L769-L773 WeakPolarHBondContact O-CG 3.49Å; L769-L773 PolarHBondContact O-N 3.34Å |
| 770 | R | 97.6 | Very high | 92.8 | Very high | 150 Ų | 150 | 55.9 Ų | 55.9 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.4 | -41.5 | 178.5 | -171.3 | -177.1 | -58.6 | 173.9 | 1.8 | 112.1 | R766 Q767 V768 Y772 L773 E774 | R766-R770 PolarHBondContact O-N 2.88Å; R766-R770 VanDerWaalsContact O-N 3.1Å; Q767-R770 WeakPolarHBondContact O-CB 3.41Å; Q767-R770 PolarHBondContact O-N 3.02Å; V768-R770 VanDerWaalsContact C-N 3.26Å; V768-R770 PolarHBondContact O-N 3.41Å; R770-Y772 VanDerWaalsContact C-N 3.33Å; R770-Y772 PolarHBondContact O-N 3.49Å; R770-L773 PolarHBondContact O-N 3.4Å; R770-E774 HydrophobicContact CG-CG 4.36Å; R770-E774 WeakPolarHBondContact CG-OE1 3.38Å; R770-E774 WeakPolarHBondContact O-CB 3.34Å; R770-E774 WeakPolarHBondContact O-CG 3.37Å; R770-E774 PolarHBondContact O-N 3.41Å |
| 771 | L | 98.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 176.2 | -64.4 | 174.4 | 0 | 0 | 0 | 112.1 | Q735 V739 L757 Y763 Q767 V768 L769 A775 | Q735-L771 HydrophobicContact CB-CD1 3.74Å; Q735-L771 HydrophobicContact CB-CD2 3.79Å; Q735-L771 HydrophobicContact CB-CG 4.44Å; Q735-L771 HydrophobicContact CG-CD1 4.37Å; V739-L771 HydrophobicContact CG2-CB 4.48Å; V739-L771 HydrophobicContact CG2-CD2 4.19Å; L757-L771 HydrophobicContact CD1-CB 4.23Å; L757-L771 HydrophobicContact CD1-CD1 4.27Å; L757-L771 HydrophobicContact CD2-CD1 4.37Å; Y763-L771 HydrophobicContact CD1-CD1 4.31Å; Y763-L771 HydrophobicContact CE1-CD1 3.77Å; Q767-L771 PolarHBondContact O-N 3.15Å; V768-L771 WeakPolarHBondContact O-CB 3.24Å; V768-L771 PolarHBondContact O-N 2.69Å; V768-L771 VanDerWaalsContact O-N 3.11Å; L769-L771 VanDerWaalsContact C-N 3.3Å; L769-L771 PolarHBondContact O-N 2.9Å; L771-A775 VanDerWaalsContact O-CB 3.28Å; L771-A775 WeakPolarHBondContact O-CB 3.49Å; L771-A775 PolarHBondContact O-N 3.3Å |
| 772 | Y | 98.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 176.4 | -83.5 | -108.6 | 0 | 0 | 0 | 111.8 | W394 L457 A468 L757 V768 L769 R770 A775 W776 I783 V786 | W394-Y772 AromaticContact CH2-CD1 3.62Å; W394-Y772 HydrophobicContact CH2-CD1 3.62Å; W394-Y772 HydrophobicContact CH2-CE1 4.48Å; W394-Y772 HydrophobicContact CH2-CG 4.22Å; W394-Y772 AromaticContact CZ2-CD1 3.88Å; W394-Y772 HydrophobicContact CZ2-CD1 3.88Å; L457-Y772 HydrophobicContact CD2-CD2 4.01Å; L457-Y772 HydrophobicContact CD2-CE2 3.93Å; A468-Y772 HydrophobicContact CB-CD1 4.48Å; A468-Y772 HydrophobicContact CB-CE1 3.93Å; L757-Y772 HydrophobicContact CD1-CE2 4.16Å; V768-Y772 HydrophobicContact CG1-CD2 4.22Å; V768-Y772 HydrophobicContact CG1-CE2 3.97Å; V768-Y772 WeakPolarHBondContact O-CD2 3.24Å; V768-Y772 PolarHBondContact O-N 2.66Å; L769-Y772 PolarHBondContact O-N 3.33Å; L769-Y772 VanDerWaalsContact O-N 3.13Å; R770-Y772 VanDerWaalsContact C-N 3.33Å; R770-Y772 PolarHBondContact O-N 3.49Å; Y772-A775 PolarHBondContact O-N 3.42Å; Y772-W776 WeakPolarHBondContact O-CB 3.24Å; Y772-W776 PolarHBondContact O-N 3.03Å; Y772-I783 HydrophobicContact CD1-CD1 3.87Å; Y772-I783 HydrophobicContact CD2-CD1 4.45Å; Y772-I783 HydrophobicContact CE1-CD1 3.94Å; Y772-I783 HydrophobicContact CG-CD1 4.14Å; Y772-V786 HydrophobicContact CE2-CG2 4.45Å |
| 773 | L | 98.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.1 | -67.1 | 176.7 | 0 | 0 | 0 | 111.9 | W394 A397 E398 L769 R770 W776 R777 | W394-L773 HydrophobicContact CB-CD2 4.25Å; W394-L773 HydrophobicContact CE3-CD2 3.98Å; A397-L773 HydrophobicContact CB-CD2 4.33Å; E398-L773 HydrophobicContact CB-CD1 4.06Å; E398-L773 HydrophobicContact CB-CD2 4.08Å; E398-L773 HydrophobicContact CG-CD1 4.35Å; L769-L773 HydrophobicContact CD1-CD1 4.32Å; L769-L773 HydrophobicContact CD1-CG 4.15Å; L769-L773 HydrophobicContact CG-CD1 4.07Å; L769-L773 HydrophobicContact CG-CG 4.36Å; L769-L773 WeakPolarHBondContact O-CG 3.49Å; L769-L773 PolarHBondContact O-N 3.34Å; R770-L773 PolarHBondContact O-N 3.4Å; L773-W776 HydrophobicContact CD2-CE3 4.43Å; L773-W776 PolarHBondContact O-N 2.88Å; L773-R777 WeakPolarHBondContact O-CB 3.24Å; L773-R777 VanDerWaalsContact O-CG 3.32Å; L773-R777 WeakPolarHBondContact O-CG 3.37Å; L773-R777 PolarHBondContact O-N 3.18Å |
| 774 | E | 98.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 173.3 | -76.1 | 174.9 | -169.7 | 0 | 0 | 111.8 | V739 R770 W776 R777 A778 | V739-E774 HydrophobicContact CG1-CB 3.9Å; R770-E774 HydrophobicContact CG-CG 4.36Å; R770-E774 WeakPolarHBondContact CG-OE1 3.38Å; R770-E774 WeakPolarHBondContact O-CB 3.34Å; R770-E774 WeakPolarHBondContact O-CG 3.37Å; R770-E774 PolarHBondContact O-N 3.41Å; E774-W776 PolarHBondContact O-N 2.96Å; E774-R777 PolarHBondContact O-N 3.1Å; E774-A778 WeakPolarHBondContact O-CB 3.48Å; E774-A778 PolarHBondContact O-N 2.89Å |
| 775 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V739 L771 Y772 A778 G779 V780 I783 | V739-A775 VanDerWaalsContact CG1-CA 3.43Å; V739-A775 HydrophobicContact CG1-CB 3.79Å; V739-A775 VanDerWaalsContact CG1-N 3.33Å; L771-A775 VanDerWaalsContact O-CB 3.28Å; L771-A775 WeakPolarHBondContact O-CB 3.49Å; L771-A775 PolarHBondContact O-N 3.3Å; Y772-A775 PolarHBondContact O-N 3.42Å; A775-A778 PolarHBondContact O-N 2.83Å; A775-G779 PolarHBondContact O-N 3.06Å; A775-V780 HydrophobicContact CB-CB 3.98Å; A775-V780 HydrophobicContact CB-CG1 4.46Å; A775-V780 HydrophobicContact CB-CG2 4.13Å; A775-V780 VanDerWaalsContact O-CB 3.27Å; A775-V780 WeakPolarHBondContact O-CB 3.47Å; A775-V780 WeakPolarHBondContact O-CG2 3.45Å; A775-V780 PolarHBondContact O-N 2.86Å; A775-I783 HydrophobicContact CB-CD1 4.03Å |
| 776 | W | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 174.2 | 168.4 | 63.1 | 0 | 0 | 0 | 112 | D391 W394 R395 Y772 L773 E774 A778 G779 | D391-W776 HydrophobicContact CB-CZ2 4.23Å; D391-W776 PolarHBondContact OD1-NE1 3.48Å; W394-W776 HydrophobicContact CB-CB 4.38Å; W394-W776 HydrophobicContact CB-CD2 3.4Å; W394-W776 HydrophobicContact CB-CE3 3.65Å; W394-W776 HydrophobicContact CB-CG 3.72Å; W394-W776 HydrophobicContact CB-CH2 4.39Å; W394-W776 HydrophobicContact CB-CZ2 4.18Å; W394-W776 HydrophobicContact CB-CZ3 4.14Å; W394-W776 AromaticContact CD1-CD1 3.51Å; W394-W776 AromaticContact CD1-CG 3.6Å; W394-W776 HydrophobicContact CG-CB 4.14Å; W394-W776 HydrophobicContact CG-CD2 4.06Å; W394-W776 AromaticContact CG-CG 3.82Å; W394-W776 HydrophobicContact CG-CG 3.82Å; R395-W776 HydrophobicContact CB-CH2 3.96Å; R395-W776 HydrophobicContact CB-CZ2 4.31Å; R395-W776 HydrophobicContact CG-CH2 4.47Å; Y772-W776 WeakPolarHBondContact O-CB 3.24Å; Y772-W776 PolarHBondContact O-N 3.03Å; L773-W776 HydrophobicContact CD2-CE3 4.43Å; L773-W776 PolarHBondContact O-N 2.88Å; E774-W776 PolarHBondContact O-N 2.96Å; W776-A778 VanDerWaalsContact C-N 3.29Å; W776-A778 PolarHBondContact O-N 3.34Å; W776-G779 PolarHBondContact O-N 3.09Å |
| 777 | R | 97.8 | Very high | 96.9 | Very high | 143 Ų | 143 | 36.4 Ų | 36.4 | 54% | 0.54 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 178.3 | -72.4 | -176.6 | -60.7 | -173.1 | 7.8 | 112.9 | E398 L773 E774 G779 | E398-R777 IonicContact OE1-CZ 2.74Å; E398-R777 IonicContact OE1-NE 3.8Å; E398-R777 IonicContact OE1-NH1 3.48Å; E398-R777 PolarHBondContact OE1-NH1 3.35Å; L773-R777 WeakPolarHBondContact O-CB 3.24Å; L773-R777 VanDerWaalsContact O-CG 3.32Å; L773-R777 WeakPolarHBondContact O-CG 3.37Å; L773-R777 PolarHBondContact O-N 3.18Å; E774-R777 PolarHBondContact O-N 3.1Å; R777-G779 PolarHBondContact O-N 2.77Å |
| 778 | A | 97 | Very high | 96.4 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 34% | 0.339 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G743 E774 A775 W776 V780 | G743-A778 WeakPolarHBondContact CA-O 3.34Å; E774-A778 WeakPolarHBondContact O-CB 3.48Å; E774-A778 PolarHBondContact O-N 2.89Å; A775-A778 PolarHBondContact O-N 2.83Å; W776-A778 VanDerWaalsContact C-N 3.29Å; W776-A778 PolarHBondContact O-N 3.34Å; A778-V780 VanDerWaalsContact C-N 3.32Å; A778-V780 HydrophobicContact CB-CG2 4.4Å; A778-V780 PolarHBondContact O-N 2.79Å |
| 779 | G | 97.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 18.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q746 A775 W776 R777 K781 | Q746-G779 VanDerWaalsContact CG-O 3.32Å; Q746-G779 WeakPolarHBondContact CG-O 3.36Å; A775-G779 PolarHBondContact O-N 3.06Å; W776-G779 PolarHBondContact O-N 3.09Å; R777-G779 PolarHBondContact O-N 2.77Å; G779-K781 PolarHBondContact O-N 3.42Å |
| 780 | V | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -62.9 | 122.6 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | N470 A742 M755 A775 A778 T782 | N470-V780 PolarHBondContact ND2-O 3.01Å; A742-V780 HydrophobicContact CB-CG2 3.9Å; M755-V780 HydrophobicContact SD-CG1 4.37Å; A775-V780 HydrophobicContact CB-CB 3.98Å; A775-V780 HydrophobicContact CB-CG1 4.46Å; A775-V780 HydrophobicContact CB-CG2 4.13Å; A775-V780 VanDerWaalsContact O-CB 3.27Å; A775-V780 WeakPolarHBondContact O-CB 3.47Å; A775-V780 WeakPolarHBondContact O-CG2 3.45Å; A775-V780 PolarHBondContact O-N 2.86Å; A778-V780 VanDerWaalsContact C-N 3.32Å; A778-V780 HydrophobicContact CB-CG2 4.4Å; A778-V780 PolarHBondContact O-N 2.79Å; V780-T782 VanDerWaalsContact CG1-O 3.27Å; V780-T782 WeakPolarHBondContact CG1-O 3.49Å | ||
| 781 | K | 98.7 | Very high | 91 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | trans | -76.9 | -36.8 | -174.1 | -73.8 | 178 | -160.4 | 168.6 | 0 | 112.4 | N470 V474 Q746 I749 D750 Q751 A752 G779 | N470-K781 PolarHBondContact N-O 3.03Å; V474-K781 HydrophobicContact CG2-CB 3.65Å; V474-K781 HydrophobicContact CG2-CD 4.21Å; V474-K781 HydrophobicContact CG2-CG 3.91Å; Q746-K781 HydrophobicContact CG-CB 4.37Å; Q746-K781 HydrophobicContact CG-CD 4.18Å; Q746-K781 HydrophobicContact CG-CG 3.89Å; I749-K781 PolarHBondContact O-NZ 3.03Å; D750-K781 PolarHBondContact O-NZ 3.35Å; Q751-K781 WeakPolarHBondContact O-CD 3.35Å; Q751-K781 WeakPolarHBondContact O-CE 3.41Å; Q751-K781 PolarHBondContact O-NZ 3.5Å; A752-K781 HydrophobicContact CB-CB 4Å; A752-K781 HydrophobicContact CB-CD 4.46Å; G779-K781 PolarHBondContact O-N 3.42Å | ||
| 782 | T | 98.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.1 | -176.4 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | A468 F469 T493 A752 Q753 V780 | A468-T782 CarbonylContact O-C 3.56Å; A468-T782 WeakPolarHBondContact O-CA 3.39Å; F469-T782 HydrophobicContact CD2-CG2 3.83Å; T493-T782 VanDerWaalsContact O-CB 3.23Å; T493-T782 WeakPolarHBondContact O-CB 3.47Å; T493-T782 VanDerWaalsContact O-CG2 3.26Å; T493-T782 WeakPolarHBondContact O-CG2 3.03Å; T493-T782 PolarHBondContact O-OG1 2.73Å; A752-T782 HydrophobicContact CB-CG2 3.99Å; A752-T782 WeakPolarHBondContact CB-OG1 3.3Å; Q753-T782 PolarHBondContact O-OG1 2.84Å; V780-T782 VanDerWaalsContact CG1-O 3.27Å; V780-T782 WeakPolarHBondContact CG1-O 3.49Å |
| 783 | I | 98.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.6 | 164.4 | -62.5 | 165.9 | 0 | 0 | 0 | 106.1 | A468 L757 Y772 A775 | A468-I783 HydrophobicContact CB-CB 3.95Å; A468-I783 HydrophobicContact CB-CD1 4.37Å; A468-I783 HydrophobicContact CB-CG1 4.44Å; A468-I783 PolarHBondContact N-O 2.68Å; A468-I783 PolarHBondContact O-N 2.86Å; L757-I783 HydrophobicContact CD1-CD1 4.44Å; L757-I783 HydrophobicContact CD1-CG2 4.21Å; L757-I783 HydrophobicContact CG-CG2 4.27Å; Y772-I783 HydrophobicContact CD1-CD1 3.87Å; Y772-I783 HydrophobicContact CD2-CD1 4.45Å; Y772-I783 HydrophobicContact CE1-CD1 3.94Å; Y772-I783 HydrophobicContact CG-CD1 4.14Å; A775-I783 HydrophobicContact CB-CD1 4.03Å |
| 784 | Y | 97.3 | Very high | 84.2 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | trans | -76.1 | -78.3 | -178 | -176.6 | -145.4 | 0 | 0 | 0 | 110.5 | F467 L491 C492 T493 P681 M755 N756 | F467-Y784 HydrophobicContact CD1-CD2 4.32Å; F467-Y784 WeakPolarHBondContact CD1-O 3.31Å; F467-Y784 HydrophobicContact CD2-CD2 4.16Å; F467-Y784 HydrophobicContact CD2-CE2 4.28Å; F467-Y784 HydrophobicContact CE1-CD2 4.07Å; F467-Y784 HydrophobicContact CE1-CE2 4.03Å; F467-Y784 WeakPolarHBondContact CE1-O 3.29Å; F467-Y784 AromaticContact CE2-CD2 3.94Å; F467-Y784 HydrophobicContact CE2-CD2 3.94Å; F467-Y784 AromaticContact CE2-CE2 3.61Å; F467-Y784 HydrophobicContact CE2-CE2 3.61Å; F467-Y784 HydrophobicContact CG-CD2 4.32Å; F467-Y784 WeakPolarHBondContact CG-O 3.29Å; F467-Y784 AromaticContact CZ-CD2 3.87Å; F467-Y784 HydrophobicContact CZ-CD2 3.87Å; F467-Y784 AromaticContact CZ-CE2 3.44Å; F467-Y784 HydrophobicContact CZ-CE2 3.44Å; F467-Y784 VanDerWaalsContact CZ-CE2 3.44Å; L491-Y784 WeakPolarHBondContact O-CE2 3.36Å; C492-Y784 WeakPolarHBondContact O-CD2 3.36Å; T493-Y784 HydrophobicContact CG2-CD2 3.91Å; T493-Y784 WeakPolarHBondContact OG1-CA 3.33Å; T493-Y784 VanDerWaalsContact OG1-CB 3.27Å; T493-Y784 WeakPolarHBondContact OG1-CB 3.46Å; P681-Y784 HydrophobicContact CB-CE1 4.28Å; P681-Y784 HydrophobicContact CG-CD1 4.44Å; P681-Y784 HydrophobicContact CG-CE1 3.9Å; M755-Y784 WeakPolarHBondContact O-CB 3.4Å; M755-Y784 PolarHBondContact O-N 3.22Å; N756-Y784 VanDerWaalsContact OD1-CD1 3.29Å; N756-Y784 WeakPolarHBondContact OD1-CD1 3.4Å | ||
| 785 | Y | 94.3 | Very high | 82.4 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | trans | -127.3 | 142.2 | -172.5 | -148.3 | -89.6 | 0 | 0 | 0 | 112.2 | T463 G464 T465 F467 N756 L757 R787 | T463-Y785 PolarHBondContact O-OH 2.89Å; G464-Y785 VanDerWaalsContact CA-CE1 3.48Å; T465-Y785 HydrophobicContact CG2-CE2 4.12Å; F467-Y785 AromaticContact CE1-CD2 3.62Å; F467-Y785 HydrophobicContact CE1-CD2 3.62Å; F467-Y785 HydrophobicContact CE1-CE2 4.11Å; F467-Y785 HydrophobicContact CZ-CD2 4.33Å; N756-Y785 CarbonylContact C-O 3.49Å; N756-Y785 VanDerWaalsContact CA-O 3.25Å; N756-Y785 WeakPolarHBondContact CA-O 3.21Å; N756-Y785 WeakPolarHBondContact OD1-CB 3.49Å; N756-Y785 PolarHBondContact OD1-N 2.99Å; N756-Y785 VanDerWaalsContact OD1-N 3.15Å; L757-Y785 PolarHBondContact N-O 2.77Å; Y785-R787 HydrophobicContact CD1-CG 3.68Å; Y785-R787 HydrophobicContact CE1-CG 4.39Å | ||
| 786 | V | 94.4 | Very high | 81 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109 | 165.3 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | A460 G464 L757 I759 Y772 S788 | A460-V786 HydrophobicContact CB-CB 4.37Å; A460-V786 HydrophobicContact CB-CG2 4.07Å; G464-V786 WeakPolarHBondContact CA-O 3.42Å; G464-V786 PolarHBondContact O-N 2.67Å; L757-V786 HydrophobicContact CB-CG2 4.35Å; L757-V786 HydrophobicContact CD1-CG2 4.36Å; L757-V786 CarbonylContact O-C 3.59Å; I759-V786 HydrophobicContact CD1-CG1 3.49Å; I759-V786 VanDerWaalsContact CD1-CG1 3.49Å; I759-V786 HydrophobicContact CG1-CG1 3.82Å; I759-V786 HydrophobicContact CG2-CG1 4.49Å; Y772-V786 HydrophobicContact CE2-CG2 4.45Å; V786-S788 PolarHBondContact O-N 3.05Å |
| 787 | R | 91.2 | Very high | 80.2 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 100.5 | 178.4 | -67.2 | -178.4 | 179.4 | -90.2 | 1.7 | 108.6 | L757 Y758 I759 Y785 | L757-R787 PolarHBondContact O-N 3.13Å; Y758-R787 WeakPolarHBondContact CA-O 3.16Å; Y758-R787 HydrophobicContact CD1-CB 3.94Å; Y758-R787 HydrophobicContact CE1-CB 4.28Å; Y758-R787 HydrophobicContact CE1-CG 4.36Å; I759-R787 PolarHBondContact N-O 2.81Å; Y785-R787 HydrophobicContact CD1-CG 3.68Å; Y785-R787 HydrophobicContact CE1-CG 4.39Å |
| 788 | S | 82.6 | Confident | 79.5 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.1 | 170.8 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | V461 I759 V786 | V461-S788 WeakPolarHBondContact O-CB 3.25Å; V461-S788 PolarHBondContact O-OG 2.92Å; I759-S788 WeakPolarHBondContact O-CA 3.49Å; V786-S788 PolarHBondContact O-N 3.05Å |
| 789 | K | 72.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.9 | 167.7 | -176.4 | 177 | -177.5 | -169.9 | 0 | 108.4 | H731 I759 L791 E792 | H731-K789 VanDerWaalsContact CD2-CB 3.49Å; H731-K789 WeakPolarHBondContact CD2-CB 3.26Å; H731-K789 WeakPolarHBondContact NE2-CB 3.41Å; I759-K789 PolarHBondContact O-N 3.4Å; K789-L791 PolarHBondContact O-N 3.47Å; K789-E792 IonicContact NZ-OE1 3.26Å; K789-E792 PolarHBondContact NZ-OE1 3.4Å |
| 790 | A | 54.6 | Low | 78.2 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | trans | -61.4 | 123.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | E792 | A790-E792 PolarHBondContact O-N 3.47Š| ||
| 791 | L | 48.2 | Very low | 77.4 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | trans | -52.3 | 130.4 | 167.6 | -71.6 | 170.9 | 0 | 0 | 0 | 107.2 | T760 D762 K789 K793 | T760-L791 HydrophobicContact CG2-CD2 4.23Å; D762-L791 WeakPolarHBondContact OD1-CD1 3.44Å; K789-L791 PolarHBondContact O-N 3.47Å; L791-K793 PolarHBondContact O-N 2.89Å | ||
| 792 | E | 44.9 | Very low | 76.8 | Confident | 143 Ų | 143 | 78.2 Ų | 78.2 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | trans | -59.2 | 101 | -177 | -82 | 162.9 | -147 | 0 | 0 | 108.2 | K789 A790 K794 | K789-E792 IonicContact NZ-OE1 3.26Å; K789-E792 PolarHBondContact NZ-OE1 3.4Å; A790-E792 PolarHBondContact O-N 3.47Å; E792-K794 PolarHBondContact O-N 3.27Å | ||
| 793 | K | 50 | Low | 76.1 | Confident | 194 Ų | 194 | 84.6 Ų | 84.6 | 84% | 0.843 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 127.4 | 161.8 | -69.6 | -176.1 | 178.3 | -177.3 | 0 | 105.8 | L791 | L791-K793 PolarHBondContact O-N 2.89Š|
| 794 | K | 56.2 | Low | 75.5 | Confident | 105 Ų | 105 | 86.9 Ų | 86.9 | 46% | 0.457 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 131.9 | 177.1 | -80.4 | -178.7 | 174 | 175.6 | 0 | 109.1 | E792 L796 G812 G813 T892 | E792-K794 PolarHBondContact O-N 3.27Å; K794-L796 PolarHBondContact O-N 3.14Å; K794-G812 PolarHBondContact NZ-O 2.91Å; K794-G813 PolarHBondContact NZ-O 3.22Å; K794-T892 HydrophobicContact CD-CG2 4.07Å |
| 795 | P | 62.1 | Low | 74.8 | Confident | 67 Ų | 67 | 86.5 Ų | 86.5 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 129.4 | -173.2 | 21.1 | -28.5 | 0 | 0 | 0 | 110.1 | F797 N798 N817 | P795-F797 PolarHBondContact O-N 3.16Å; P795-N798 HydrophobicContact CG-CB 3.97Å; P795-N817 PolarHBondContact O-ND2 2.71Å |
| 796 | L | 68.7 | Low | 74.2 | Confident | 160 Ų | 160 | 93.5 Ų | 93.5 | 84% | 0.838 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -59.2 | -37.7 | 174.1 | -69.6 | 171.3 | 0 | 0 | 0 | 110.8 | K794 N817 | K794-L796 PolarHBondContact O-N 3.14Å; L796-N817 PolarHBondContact O-ND2 2.97Å |
| 797 | F | 81.8 | Confident | 73.8 | Confident | 171 Ų | 171 | 97.6 Ų | 97.6 | 75% | 0.75 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -103.7 | 101.8 | 171.7 | 177.4 | -111.4 | 0 | 0 | 0 | 109.4 | P795 P799 | P795-F797 PolarHBondContact O-N 3.16Å; F797-P799 HydrophobicContact CE1-CG 4Å; F797-P799 HydrophobicContact CZ-CB 4.41Å; F797-P799 HydrophobicContact CZ-CG 4.2Å; F797-P799 WeakPolarHBondContact O-CD 3.44Å |
| 798 | N | 82.2 | Confident | 73.6 | Confident | 20 Ų | 20 | 93.6 Ų | 93.6 | 11% | 0.107 | 47% | 0.471 | C | S | . | . | trans | -123.8 | 79.9 | -175.3 | -171.3 | 18.7 | 0 | 0 | 0 | 111 | P795 E800 G801 N814 T815 T816 | P795-N798 HydrophobicContact CG-CB 3.97Å; N798-E800 PolarHBondContact O-N 3.22Å; N798-G801 WeakPolarHBondContact ND2-CA 3.25Å; N798-G801 PolarHBondContact O-N 2.77Å; N798-G801 PolarHBondContact OD1-N 2.99Å; N798-N814 PolarHBondContact ND2-OD1 3.22Å; N798-T815 WeakPolarHBondContact CB-O 3.43Å; N798-T815 PolarHBondContact ND2-O 3.18Å; N798-T816 WeakPolarHBondContact O-CA 3.47Å; N798-T816 WeakPolarHBondContact O-CG2 3.23Å | ||
| 799 | P | 83.6 | Confident | 74 | Confident | 84 Ų | 84 | 96.8 Ų | 96.8 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.2 | 179.1 | 25.4 | -33.3 | 0 | 0 | 0 | 113 | F797 G801 | F797-P799 HydrophobicContact CE1-CG 4Å; F797-P799 HydrophobicContact CZ-CB 4.41Å; F797-P799 HydrophobicContact CZ-CG 4.2Å; F797-P799 WeakPolarHBondContact O-CD 3.44Å; P799-G801 VanDerWaalsContact C-N 3.29Å |
| 800 | E | 82.3 | Confident | 75 | Confident | 162 Ų | 162 | 93.4 Ų | 93.4 | 76% | 0.757 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7.9 | 176.1 | -54.9 | -60.3 | 141.6 | 0 | 0 | 113 | N798 | N798-E800 PolarHBondContact O-N 3.22Š|
| 801 | G | 83.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 91 Ų | 91 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -66.6 | 151.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | N798 P799 L803 T816 | N798-G801 WeakPolarHBondContact ND2-CA 3.25Å; N798-G801 PolarHBondContact O-N 2.77Å; N798-G801 PolarHBondContact OD1-N 2.99Å; P799-G801 VanDerWaalsContact C-N 3.29Å; G801-L803 PolarHBondContact O-N 2.68Å; G801-T816 VanDerWaalsContact O-CG2 3.24Å; G801-T816 WeakPolarHBondContact O-CG2 3.25Å |
| 802 | D | 84.3 | Confident | 78.3 | Confident | 60 Ų | 60 | 90 Ų | 90 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 124.6 | 177.5 | -63.1 | -48.1 | 0 | 0 | 0 | 110.7 | L807 N814 | D802-L807 HydrophobicContact CB-CB 4.07Å; D802-L807 HydrophobicContact CB-CD1 3.98Å; D802-N814 VanDerWaalsContact CB-O 3.32Å; D802-N814 WeakPolarHBondContact CB-O 3.45Å; D802-N814 PolarHBondContact N-O 3.04Å; D802-N814 WeakPolarHBondContact OD2-CB 3.27Å |
| 803 | L | 84.5 | Confident | 80.2 | Confident | 135 Ų | 135 | 83.3 Ų | 83.3 | 71% | 0.707 | 42% | 0.417 | S | S | * | . | trans | -85.9 | -19.2 | 176.3 | -61.3 | 176.3 | 0 | 0 | 0 | 112.8 | G801 V805 T816 | G801-L803 PolarHBondContact O-N 2.68Å; L803-V805 PolarHBondContact O-N 2.95Å; L803-T816 HydrophobicContact CD2-CG2 3.68Å | ||
| 804 | D | 84.9 | Confident | 81.9 | Confident | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -77.9 | 116.4 | -179.5 | -172.9 | -13.7 | 0 | 0 | 0 | 111 | R806 L807 | D804-R806 PolarHBondContact O-N 3.38Å; D804-R806 VanDerWaalsContact O-N 3.09Å; D804-R806 VanDerWaalsContact OD1-CB 3.31Å; D804-R806 WeakPolarHBondContact OD1-CB 3.31Å; D804-R806 WeakPolarHBondContact OD1-CG 3.32Å; D804-R806 IonicContact OD1-CZ 3.61Å; D804-R806 PolarHBondContact OD1-N 3.22Å; D804-R806 IonicContact OD1-NE 2.87Å; D804-R806 PolarHBondContact OD1-NE 2.89Å; D804-R806 IonicContact OD1-NH2 2.83Å; D804-R806 IonicContact OD2-CZ 2.7Å; D804-R806 IonicContact OD2-NE 3.15Å; D804-R806 PolarHBondContact OD2-NE 3.37Å; D804-R806 IonicContact OD2-NH2 3.97Å; D804-R806 PolarHBondContact OD2-NH2 3.45Å; D804-L807 HydrophobicContact CB-CD1 4.11Å; D804-L807 HydrophobicContact CB-CG 4.15Å; D804-L807 WeakPolarHBondContact O-CB 3.06Å; D804-L807 PolarHBondContact O-N 3.05Å | ||
| 805 | V | 83.2 | Confident | 83.2 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -55.5 | -27.2 | 177.7 | -78.2 | 0 | 0 | 0 | 0 | 113.7 | L803 L807 R808 N823 | L803-V805 PolarHBondContact O-N 2.95Å; V805-L807 PolarHBondContact O-N 3.5Å; V805-R808 WeakPolarHBondContact O-CB 3.03Å; V805-R808 PolarHBondContact O-N 3.03Å; V805-N823 HydrophobicContact CG1-CB 4.26Å; V805-N823 VanDerWaalsContact CG1-CG 3.43Å; V805-N823 WeakPolarHBondContact CG1-O 3.24Å; V805-N823 WeakPolarHBondContact CG1-OD1 3.42Å |
| 806 | R | 82.8 | Confident | 84.4 | Confident | 199 Ų | 199 | 70.8 Ų | 70.8 | 75% | 0.751 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -67.9 | -23.8 | 177.9 | -59.8 | 174.1 | -64.9 | 177.1 | 2.8 | 112.7 | D804 | D804-R806 PolarHBondContact O-N 3.38Å; D804-R806 VanDerWaalsContact O-N 3.09Å; D804-R806 VanDerWaalsContact OD1-CB 3.31Å; D804-R806 WeakPolarHBondContact OD1-CB 3.31Å; D804-R806 WeakPolarHBondContact OD1-CG 3.32Å; D804-R806 IonicContact OD1-CZ 3.61Å; D804-R806 PolarHBondContact OD1-N 3.22Å; D804-R806 IonicContact OD1-NE 2.87Å; D804-R806 PolarHBondContact OD1-NE 2.89Å; D804-R806 IonicContact OD1-NH2 2.83Å; D804-R806 IonicContact OD2-CZ 2.7Å; D804-R806 IonicContact OD2-NE 3.15Å; D804-R806 PolarHBondContact OD2-NE 3.37Å; D804-R806 IonicContact OD2-NH2 3.97Å; D804-R806 PolarHBondContact OD2-NH2 3.45Å |
| 807 | L | 85 | Confident | 85.2 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 47% | 0.466 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -87.3 | -14.3 | 178.1 | -61.5 | 178.9 | 0 | 0 | 0 | 112.8 | D802 D804 V805 | D802-L807 HydrophobicContact CB-CB 4.07Å; D802-L807 HydrophobicContact CB-CD1 3.98Å; D804-L807 HydrophobicContact CB-CD1 4.11Å; D804-L807 HydrophobicContact CB-CG 4.15Å; D804-L807 WeakPolarHBondContact O-CB 3.06Å; D804-L807 PolarHBondContact O-N 3.05Å; V805-L807 PolarHBondContact O-N 3.5Å |
| 808 | R | 87.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | trans | -61.1 | 146.6 | 173.1 | -64.1 | -172.4 | -171.9 | 164.5 | 11 | 109.7 | V805 T815 N823 K825 E895 | V805-R808 WeakPolarHBondContact O-CB 3.03Å; V805-R808 PolarHBondContact O-N 3.03Å; R808-T815 HydrophobicContact CG-CG2 4.06Å; R808-N823 PolarHBondContact NH1-O 2.79Å; R808-N823 PolarHBondContact NH2-O 2.87Å; R808-K825 HydrophobicContact CB-CB 4.3Å; R808-K825 HydrophobicContact CB-CD 3.93Å; R808-K825 WeakPolarHBondContact O-CD 3.2Å; R808-K825 WeakPolarHBondContact O-CE 3.21Å; R808-K825 PolarHBondContact O-NZ 3.25Å; R808-E895 IonicContact CZ-OE2 3.07Å; R808-E895 IonicContact NH1-OE1 2.69Å; R808-E895 IonicContact NH1-OE2 3.18Å; R808-E895 PolarHBondContact NH1-OE2 3.22Å | ||
| 809 | R | 90.9 | Very high | 85.7 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | trans | -143.9 | 157.3 | 177.2 | -67.1 | -164.2 | -178.7 | -144.5 | 1.3 | 110.5 | I811 T892 A893 E1025 | R809-I811 VanDerWaalsContact C-N 3.3Å; R809-I811 VanDerWaalsContact CB-O 3.25Å; R809-I811 WeakPolarHBondContact CB-O 3.01Å; R809-I811 PolarHBondContact O-N 3.36Å; R809-T892 PolarHBondContact O-OG1 3.05Å; R809-A893 PolarHBondContact O-N 3.16Å; R809-E1025 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 810 | M | 92.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -61.8 | -45.8 | -179.5 | -171 | 62.6 | 73 | 0 | 0 | 109.6 | Y826 I891 T892 A893 V896 I1018 E1021 L1022 E1025 | M810-Y826 WeakPolarHBondContact CA-OH 3.3Å; M810-Y826 HydrophobicContact CE-CD1 4.43Å; M810-Y826 HydrophobicContact CE-CE1 4.01Å; M810-Y826 HydrophobicContact CE-CE2 4.41Å; M810-Y826 PolarHBondContact N-OH 3.11Å; M810-I891 HydrophobicContact CG-CD1 3.86Å; M810-I891 CarbonylContact O-C 3.58Å; M810-I891 WeakPolarHBondContact O-CA 3.32Å; M810-I891 HydrophobicContact SD-CD1 3.96Å; M810-I891 HydrophobicContact SD-CG2 4.17Å; M810-T892 PolarHBondContact O-N 2.92Å; M810-T892 PolarHBondContact O-OG1 3.36Å; M810-A893 HydrophobicContact SD-CB 4.36Å; M810-V896 HydrophobicContact CE-CG2 4.11Å; M810-V896 HydrophobicContact SD-CB 4.4Å; M810-V896 HydrophobicContact SD-CG1 4.2Å; M810-V896 HydrophobicContact SD-CG2 3.99Å; M810-I1018 HydrophobicContact CE-CB 4.47Å; M810-I1018 HydrophobicContact CE-CG1 4.23Å; M810-I1018 HydrophobicContact CE-CG2 4.42Å; M810-I1018 HydrophobicContact CG-CG2 4.32Å; M810-I1018 HydrophobicContact SD-CG1 4.32Å; M810-I1018 HydrophobicContact SD-CG2 4.21Å; M810-E1021 HydrophobicContact CE-CB 3.67Å; M810-E1021 HydrophobicContact CE-CG 4.14Å; M810-L1022 HydrophobicContact CB-CD2 4.06Å; M810-L1022 HydrophobicContact CG-CD2 3.93Å; M810-L1022 HydrophobicContact CG-CG 4.19Å; M810-E1025 PolarHBondContact N-OE2 2.98Å |
| 811 | I | 90 | Very high | 86 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -126.7 | 151.4 | 172.2 | 61.4 | 174.6 | 0 | 0 | 0 | 110 | R809 G813 Y890 I891 T892 A960 L963 L1022 Q1026 | R809-I811 VanDerWaalsContact C-N 3.3Å; R809-I811 VanDerWaalsContact CB-O 3.25Å; R809-I811 WeakPolarHBondContact CB-O 3.01Å; R809-I811 PolarHBondContact O-N 3.36Å; I811-G813 VanDerWaalsContact C-N 3.29Å; I811-G813 PolarHBondContact O-N 3.02Å; I811-Y890 HydrophobicContact CB-CE1 4.26Å; I811-Y890 HydrophobicContact CG2-CD1 3.84Å; I811-Y890 HydrophobicContact CG2-CE1 3.93Å; I811-I891 HydrophobicContact CG2-CD1 4.18Å; I811-T892 VanDerWaalsContact CA-OG1 3.31Å; I811-T892 WeakPolarHBondContact CA-OG1 3.44Å; I811-A960 HydrophobicContact CD1-CB 3.61Å; I811-L963 HydrophobicContact CG2-CD2 3.62Å; I811-L1022 HydrophobicContact CD1-CD2 4.32Å; I811-L1022 HydrophobicContact CG1-CD2 4.33Å; I811-Q1026 HydrophobicContact CD1-CG 4.1Å; I811-Q1026 HydrophobicContact CG1-CG 4.29Å |
| 812 | G | 83.3 | Confident | 86 | Confident | 61 Ų | 61 | 68 Ų | 68 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 76.7 | -3.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | K794 T892 | K794-G812 PolarHBondContact NZ-O 2.91Å; G812-T892 PolarHBondContact N-OG1 3.4Å |
| 813 | G | 85.2 | Confident | 86 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | trans | -70.4 | 143.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K794 I811 T892 | K794-G813 PolarHBondContact NZ-O 3.22Å; I811-G813 VanDerWaalsContact C-N 3.29Å; I811-G813 PolarHBondContact O-N 3.02Å; G813-T892 PolarHBondContact N-OG1 2.84Å | ||
| 814 | N | 84.6 | Confident | 86.2 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | trans | -97.6 | 79.2 | 178.5 | 172.4 | 47.3 | 0 | 0 | 0 | 110.2 | N798 D802 | N798-N814 PolarHBondContact ND2-OD1 3.22Å; D802-N814 VanDerWaalsContact CB-O 3.32Å; D802-N814 WeakPolarHBondContact CB-O 3.45Å; D802-N814 PolarHBondContact N-O 3.04Å; D802-N814 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 815 | T | 84.7 | Confident | 86.5 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 159.2 | -174.9 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | N798 R808 N817 T892 | N798-T815 WeakPolarHBondContact CB-O 3.43Å; N798-T815 PolarHBondContact ND2-O 3.18Å; R808-T815 HydrophobicContact CG-CG2 4.06Å; T815-N817 PolarHBondContact O-N 3.42Å; T815-N817 PolarHBondContact OG1-OD1 3.07Å; T815-T892 WeakPolarHBondContact CG2-O 3.14Å |
| 816 | T | 86.3 | Confident | 87 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | trans | -76.4 | -6.7 | 169.3 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | N798 G801 L803 L818 | N798-T816 WeakPolarHBondContact O-CA 3.47Å; N798-T816 WeakPolarHBondContact O-CG2 3.23Å; G801-T816 VanDerWaalsContact O-CG2 3.24Å; G801-T816 WeakPolarHBondContact O-CG2 3.25Å; L803-T816 HydrophobicContact CD2-CG2 3.68Å; T816-L818 PolarHBondContact O-N 2.88Å; T816-L818 WeakPolarHBondContact OG1-CB 3.17Å; T816-L818 PolarHBondContact OG1-N 3.43Å | ||
| 817 | N | 84.9 | Confident | 87.3 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | trans | 61.6 | 14.3 | -165.8 | -58.4 | -50.8 | 0 | 0 | 0 | 115.3 | P795 L796 T815 N819 | P795-N817 PolarHBondContact O-ND2 2.71Å; L796-N817 PolarHBondContact O-ND2 2.97Å; T815-N817 PolarHBondContact O-N 3.42Å; T815-N817 PolarHBondContact OG1-OD1 3.07Å; N817-N819 PolarHBondContact O-N 2.99Å | ||
| 818 | L | 87.7 | Confident | 87.7 | Confident | 106 Ų | 106 | 55 Ų | 55 | 56% | 0.555 | 30% | 0.3 | S | S | * | . | trans | -71.1 | 120.4 | 174.2 | -178.1 | 68.9 | 0 | 0 | 0 | 111.3 | T816 D820 N894 | T816-L818 PolarHBondContact O-N 2.88Å; T816-L818 WeakPolarHBondContact OG1-CB 3.17Å; T816-L818 PolarHBondContact OG1-N 3.43Å; L818-D820 PolarHBondContact O-N 3.37Å; L818-D820 VanDerWaalsContact O-N 3.09Å; L818-N894 PolarHBondContact O-ND2 3.48Å | ||
| 819 | N | 87.4 | Confident | 88 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | trans | -81.4 | 82.8 | 174.4 | -65.9 | -36 | 0 | 0 | 0 | 111.4 | N817 F821 N894 L898 | N817-N819 PolarHBondContact O-N 2.99Å; N819-F821 HydrophobicContact CB-CE2 4.45Å; N819-N894 PolarHBondContact OD1-ND2 3.16Å; N819-L898 HydrophobicContact CB-CD1 4.25Å | ||
| 820 | D | 87.2 | Confident | 88 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | -90.1 | 98.3 | 174.8 | -173.7 | -3.2 | 0 | 0 | 0 | 111.3 | L818 N822 N823 | L818-D820 PolarHBondContact O-N 3.37Å; L818-D820 VanDerWaalsContact O-N 3.09Å; D820-N822 PolarHBondContact O-N 3.36Å; D820-N822 WeakPolarHBondContact OD1-CB 3.41Å; D820-N822 PolarHBondContact OD1-N 3.01Å; D820-N823 HydrophobicContact CB-CB 4.35Å; D820-N823 CarbonylContact O-C 3.54Å; D820-N823 PolarHBondContact O-N 3Å; D820-N823 VanDerWaalsContact O-N 3.1Å; D820-N823 VanDerWaalsContact OD2-CB 3.28Å; D820-N823 WeakPolarHBondContact OD2-CB 3.12Å | ||
| 821 | F | 84.3 | Confident | 87.8 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.3 | 179.9 | -82 | -105 | 0 | 0 | 0 | 114.1 | N819 M824 Y833 L898 | N819-F821 HydrophobicContact CB-CE2 4.45Å; F821-M824 HydrophobicContact CB-CE 4.06Å; F821-M824 HydrophobicContact CD1-CE 3.34Å; F821-M824 HydrophobicContact CD2-CE 4.4Å; F821-M824 HydrophobicContact CE1-CE 3.83Å; F821-M824 HydrophobicContact CG-CE 3.68Å; F821-Y833 HydrophobicContact CE1-CD1 4Å; F821-Y833 HydrophobicContact CE1-CD2 4.29Å; F821-Y833 AromaticContact CE1-CE1 3.95Å; F821-Y833 HydrophobicContact CE1-CE1 3.95Å; F821-Y833 HydrophobicContact CE1-CE2 4.23Å; F821-Y833 HydrophobicContact CE1-CG 4.19Å; F821-Y833 HydrophobicContact CZ-CD2 4.38Å; F821-Y833 HydrophobicContact CZ-CE1 4.19Å; F821-Y833 AromaticContact CZ-CE2 3.94Å; F821-Y833 HydrophobicContact CZ-CE2 3.94Å; F821-Y833 AromaticContact CZ-CZ 3.87Å; F821-L898 HydrophobicContact CE1-CD1 4.49Å; F821-L898 HydrophobicContact CE2-CD1 3.83Å; F821-L898 HydrophobicContact CZ-CD1 3.67Å |
| 822 | N | 83.9 | Confident | 88 | Confident | 161 Ų | 161 | 53.7 Ų | 53.7 | 86% | 0.861 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.5 | 176 | -60 | -53.9 | 0 | 0 | 0 | 112.1 | D820 | D820-N822 PolarHBondContact O-N 3.36Å; D820-N822 WeakPolarHBondContact OD1-CB 3.41Å; D820-N822 PolarHBondContact OD1-N 3.01Å |
| 823 | N | 84.9 | Confident | 88.4 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -143.9 | 75.2 | -172.7 | -159 | 18.9 | 0 | 0 | 0 | 111.1 | V805 R808 D820 | V805-N823 HydrophobicContact CG1-CB 4.26Å; V805-N823 VanDerWaalsContact CG1-CG 3.43Å; V805-N823 WeakPolarHBondContact CG1-O 3.24Å; V805-N823 WeakPolarHBondContact CG1-OD1 3.42Å; R808-N823 PolarHBondContact NH1-O 2.79Å; R808-N823 PolarHBondContact NH2-O 2.87Å; D820-N823 HydrophobicContact CB-CB 4.35Å; D820-N823 CarbonylContact O-C 3.54Å; D820-N823 PolarHBondContact O-N 3Å; D820-N823 VanDerWaalsContact O-N 3.1Å; D820-N823 VanDerWaalsContact OD2-CB 3.28Å; D820-N823 WeakPolarHBondContact OD2-CB 3.12Å |
| 824 | M | 88.6 | Confident | 88.6 | Confident | 35 Ų | 35 | 60 Ų | 60 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | trans | -101 | 141.8 | 175.7 | -61 | -173.8 | -178.5 | 0 | 0 | 110.6 | F821 V829 E895 | F821-M824 HydrophobicContact CB-CE 4.06Å; F821-M824 HydrophobicContact CD1-CE 3.34Å; F821-M824 HydrophobicContact CD2-CE 4.4Å; F821-M824 HydrophobicContact CE1-CE 3.83Å; F821-M824 HydrophobicContact CG-CE 3.68Å; M824-V829 HydrophobicContact CE-CG1 4.45Å; M824-V829 HydrophobicContact SD-CB 4.08Å; M824-V829 HydrophobicContact SD-CG1 3.85Å; M824-E895 HydrophobicContact CG-CB 4.3Å; M824-E895 HydrophobicContact SD-CB 4.26Å | ||
| 825 | K | 92 | Very high | 88.6 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -73.3 | -45.1 | 171.7 | -180 | -178.3 | 178.7 | -171.8 | 0 | 110.7 | R808 A827 E895 E1025 | R808-K825 HydrophobicContact CB-CB 4.3Å; R808-K825 HydrophobicContact CB-CD 3.93Å; R808-K825 WeakPolarHBondContact O-CD 3.2Å; R808-K825 WeakPolarHBondContact O-CE 3.21Å; R808-K825 PolarHBondContact O-NZ 3.25Å; K825-A827 PolarHBondContact O-N 3.23Å; K825-E895 WeakPolarHBondContact CB-OE1 3.48Å; K825-E895 PolarHBondContact N-OE1 3.33Å; K825-E1025 WeakPolarHBondContact CE-OE1 3.46Å; K825-E1025 IonicContact NZ-OE1 3.74Å; K825-E1025 PolarHBondContact NZ-OE1 3.44Å |
| 826 | Y | 93.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -93.9 | 93.9 | -177.6 | -52.9 | -74.9 | 0 | 0 | 0 | 110.5 | M810 W828 V829 A893 E895 V896 E1021 E1025 | M810-Y826 WeakPolarHBondContact CA-OH 3.3Å; M810-Y826 HydrophobicContact CE-CD1 4.43Å; M810-Y826 HydrophobicContact CE-CE1 4.01Å; M810-Y826 HydrophobicContact CE-CE2 4.41Å; M810-Y826 PolarHBondContact N-OH 3.11Å; Y826-W828 VanDerWaalsContact C-N 3.26Å; Y826-W828 PolarHBondContact O-N 3.18Å; Y826-V829 VanDerWaalsContact O-CB 3.28Å; Y826-V829 WeakPolarHBondContact O-CB 3.43Å; Y826-V829 WeakPolarHBondContact O-CG2 3.4Å; Y826-V829 PolarHBondContact O-N 3.16Å; Y826-A893 HydrophobicContact CD2-CB 4.18Å; Y826-A893 HydrophobicContact CE2-CB 3.5Å; Y826-E895 HydrophobicContact CD2-CG 3.91Å; Y826-V896 HydrophobicContact CD2-CG2 3.95Å; Y826-V896 HydrophobicContact CE2-CG2 4.34Å; Y826-E1021 HydrophobicContact CD1-CB 4.45Å; Y826-E1021 HydrophobicContact CD1-CG 3.74Å; Y826-E1021 HydrophobicContact CE1-CB 4.09Å; Y826-E1021 HydrophobicContact CE1-CG 3.87Å; Y826-E1025 PolarHBondContact OH-OE1 2.84Å; Y826-E1025 PolarHBondContact OH-OE2 3.02Å |
| 827 | A | 88.4 | Confident | 88.8 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K825 V829 S830 | K825-A827 PolarHBondContact O-N 3.23Å; A827-V829 PolarHBondContact O-N 3.35Å; A827-V829 VanDerWaalsContact O-N 3.15Å; A827-S830 PolarHBondContact O-N 2.87Å |
| 828 | W | 93.3 | Very high | 88.7 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -21.4 | 178.9 | 60.4 | -103.2 | 0 | 0 | 0 | 113.3 | Y826 S830 D831 W832 V896 W1013 L1014 N1017 | Y826-W828 VanDerWaalsContact C-N 3.26Å; Y826-W828 PolarHBondContact O-N 3.18Å; W828-S830 VanDerWaalsContact C-N 3.27Å; W828-S830 PolarHBondContact O-N 2.8Å; W828-D831 PolarHBondContact O-N 3.16Å; W828-W832 HydrophobicContact CE3-CB 4.24Å; W828-W832 HydrophobicContact CZ3-CB 4.46Å; W828-W832 WeakPolarHBondContact O-CB 3.43Å; W828-W832 PolarHBondContact O-N 2.93Å; W828-V896 HydrophobicContact CH2-CG2 4.23Å; W828-V896 HydrophobicContact CZ2-CG2 4.31Å; W828-W1013 HydrophobicContact CB-CZ2 4.08Å; W828-L1014 HydrophobicContact CH2-CD1 3.61Å; W828-L1014 HydrophobicContact CZ3-CD1 3.66Å; W828-N1017 HydrophobicContact CD2-CB 3.74Å; W828-N1017 VanDerWaalsContact CE2-CB 3.44Å; W828-N1017 HydrophobicContact CE3-CB 4.03Å; W828-N1017 HydrophobicContact CG-CB 4.38Å; W828-N1017 HydrophobicContact CH2-CB 3.85Å; W828-N1017 HydrophobicContact CZ2-CB 3.52Å; W828-N1017 HydrophobicContact CZ3-CB 4.08Å |
| 829 | V | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -36.3 | 178.4 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | M824 Y826 A827 D831 W832 Y833 E895 V896 | M824-V829 HydrophobicContact CE-CG1 4.45Å; M824-V829 HydrophobicContact SD-CB 4.08Å; M824-V829 HydrophobicContact SD-CG1 3.85Å; Y826-V829 VanDerWaalsContact O-CB 3.28Å; Y826-V829 WeakPolarHBondContact O-CB 3.43Å; Y826-V829 WeakPolarHBondContact O-CG2 3.4Å; Y826-V829 PolarHBondContact O-N 3.16Å; A827-V829 PolarHBondContact O-N 3.35Å; A827-V829 VanDerWaalsContact O-N 3.15Å; V829-D831 PolarHBondContact O-N 2.82Å; V829-W832 PolarHBondContact O-N 3.09Å; V829-Y833 WeakPolarHBondContact O-CB 3.32Å; V829-Y833 PolarHBondContact O-N 3.27Å; V829-E895 HydrophobicContact CG1-CB 4.01Å; V829-E895 WeakPolarHBondContact CG1-O 3.03Å; V829-E895 HydrophobicContact CG2-CG 4.3Å; V829-V896 HydrophobicContact CG2-CG2 4.16Å |
| 830 | S | 90.6 | Very high | 88.6 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | -179.1 | -169.3 | 0 | 0 | 0 | 0 | 112 | A827 W828 R834 | A827-S830 PolarHBondContact O-N 2.87Å; W828-S830 VanDerWaalsContact C-N 3.27Å; W828-S830 PolarHBondContact O-N 2.8Å; S830-R834 WeakPolarHBondContact O-CB 3.28Å; S830-R834 PolarHBondContact O-N 3.5Å |
| 831 | D | 89.5 | Confident | 88.6 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.5 | -40.1 | 179.6 | -67 | -34.2 | 0 | 0 | 0 | 111.2 | W828 V829 R834 Q835 W1013 | W828-D831 PolarHBondContact O-N 3.16Å; V829-D831 PolarHBondContact O-N 2.82Å; D831-R834 PolarHBondContact O-N 3.29Å; D831-R834 IonicContact OD1-NH1 3.21Å; D831-R834 PolarHBondContact OD1-NH1 3.07Å; D831-Q835 WeakPolarHBondContact O-CB 3.43Å; D831-Q835 PolarHBondContact O-N 3.4Å; D831-W1013 HydrophobicContact CB-CH2 3.98Å |
| 832 | W | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -53 | 171.2 | -170.1 | 100.3 | 0 | 0 | 0 | 111.8 | W828 V829 R834 Q835 A836 C899 I902 T1010 W1013 L1014 | W828-W832 HydrophobicContact CE3-CB 4.24Å; W828-W832 HydrophobicContact CZ3-CB 4.46Å; W828-W832 WeakPolarHBondContact O-CB 3.43Å; W828-W832 PolarHBondContact O-N 2.93Å; V829-W832 PolarHBondContact O-N 3.09Å; W832-R834 VanDerWaalsContact C-N 3.33Å; W832-R834 PolarHBondContact O-N 3.43Å; W832-Q835 PolarHBondContact O-N 3.21Å; W832-A836 HydrophobicContact CE3-CB 4.02Å; W832-A836 HydrophobicContact CH2-CB 3.74Å; W832-A836 HydrophobicContact CZ2-CB 4.3Å; W832-A836 HydrophobicContact CZ3-CB 3.58Å; W832-A836 WeakPolarHBondContact O-CB 3.22Å; W832-A836 PolarHBondContact O-N 2.82Å; W832-C899 HydrophobicContact CD2-CB 4.01Å; W832-C899 HydrophobicContact CE3-CB 3.52Å; W832-C899 HydrophobicContact CH2-CB 3.94Å; W832-C899 WeakPolarHBondContact CH2-O 3.28Å; W832-C899 HydrophobicContact CZ2-CB 4.33Å; W832-C899 VanDerWaalsContact CZ3-CA 3.41Å; W832-C899 HydrophobicContact CZ3-CB 3.51Å; W832-I902 HydrophobicContact CH2-CB 4.07Å; W832-I902 HydrophobicContact CH2-CG2 4.01Å; W832-I902 HydrophobicContact CZ3-CB 3.95Å; W832-I902 HydrophobicContact CZ3-CD1 4.27Å; W832-I902 HydrophobicContact CZ3-CG2 4.03Å; W832-T1010 PolarHBondContact NE1-O 2.66Å; W832-W1013 HydrophobicContact CB-CE3 4.01Å; W832-W1013 HydrophobicContact CB-CH2 4.01Å; W832-W1013 HydrophobicContact CB-CZ3 3.56Å; W832-W1013 AromaticContact CD1-CD2 3.91Å; W832-W1013 AromaticContact CD1-CE3 3.34Å; W832-W1013 AromaticContact CD1-CZ3 3.85Å; W832-W1013 HydrophobicContact CG-CE3 4.02Å; W832-W1013 HydrophobicContact CG-CZ3 4.07Å; W832-L1014 HydrophobicContact CZ2-CB 4.3Å; W832-L1014 HydrophobicContact CZ2-CD2 4.09Å |
| 833 | Y | 92 | Very high | 88.9 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -45.1 | -178.1 | -173.8 | -80 | 0 | 0 | 0 | 111.2 | F821 V829 Q835 M837 L898 I902 | F821-Y833 HydrophobicContact CE1-CD1 4Å; F821-Y833 HydrophobicContact CE1-CD2 4.29Å; F821-Y833 AromaticContact CE1-CE1 3.95Å; F821-Y833 HydrophobicContact CE1-CE1 3.95Å; F821-Y833 HydrophobicContact CE1-CE2 4.23Å; F821-Y833 HydrophobicContact CE1-CG 4.19Å; F821-Y833 HydrophobicContact CZ-CD2 4.38Å; F821-Y833 HydrophobicContact CZ-CE1 4.19Å; F821-Y833 AromaticContact CZ-CE2 3.94Å; F821-Y833 HydrophobicContact CZ-CE2 3.94Å; F821-Y833 AromaticContact CZ-CZ 3.87Å; V829-Y833 WeakPolarHBondContact O-CB 3.32Å; V829-Y833 PolarHBondContact O-N 3.27Å; Y833-Q835 PolarHBondContact O-N 2.99Å; Y833-M837 HydrophobicContact CD1-CG 3.98Å; Y833-M837 HydrophobicContact CE1-CG 3.67Å; Y833-M837 WeakPolarHBondContact O-CB 3.44Å; Y833-M837 VanDerWaalsContact O-CG 3.22Å; Y833-M837 WeakPolarHBondContact O-CG 3.3Å; Y833-M837 PolarHBondContact O-N 3.4Å; Y833-L898 HydrophobicContact CD2-CB 4.21Å; Y833-L898 HydrophobicContact CE2-CB 4.15Å; Y833-I902 HydrophobicContact CD2-CD1 3.42Å; Y833-I902 VanDerWaalsContact CD2-CD1 3.42Å; Y833-I902 HydrophobicContact CE2-CD1 3.23Å; Y833-I902 HydrophobicContact CE2-CG1 4.43Å; Y833-I902 HydrophobicContact CG-CD1 4.15Å |
| 834 | R | 88.2 | Confident | 88.9 | Confident | 133 Ų | 133 | 49 Ų | 49 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.9 | -169.2 | -175.2 | -62.3 | 117.8 | 4.8 | 111.5 | S830 D831 W832 N838 | S830-R834 WeakPolarHBondContact O-CB 3.28Å; S830-R834 PolarHBondContact O-N 3.5Å; D831-R834 PolarHBondContact O-N 3.29Å; D831-R834 IonicContact OD1-NH1 3.21Å; D831-R834 PolarHBondContact OD1-NH1 3.07Å; W832-R834 VanDerWaalsContact C-N 3.33Å; W832-R834 PolarHBondContact O-N 3.43Å; R834-N838 WeakPolarHBondContact O-CB 3.42Å; R834-N838 PolarHBondContact O-N 3.21Å; R834-N838 PolarHBondContact O-ND2 3.49Å |
| 835 | Q | 85.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -47.8 | -179.6 | -171 | 171.4 | 7.3 | 0 | 0 | 111.8 | D831 W832 Y833 M837 N838 N839 T1010 | D831-Q835 WeakPolarHBondContact O-CB 3.43Å; D831-Q835 PolarHBondContact O-N 3.4Å; W832-Q835 PolarHBondContact O-N 3.21Å; Y833-Q835 PolarHBondContact O-N 2.99Å; Q835-M837 VanDerWaalsContact C-N 3.33Å; Q835-M837 PolarHBondContact O-N 2.9Å; Q835-N838 WeakPolarHBondContact O-CB 3.47Å; Q835-N838 PolarHBondContact O-N 3.46Å; Q835-N838 VanDerWaalsContact O-N 3.11Å; Q835-N839 PolarHBondContact O-N 2.99Å; Q835-N839 VanDerWaalsContact O-N 3.1Å; Q835-N839 PolarHBondContact O-OD1 3.18Å; Q835-T1010 HydrophobicContact CG-CG2 4.09Å |
| 836 | A | 88.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W832 N838 N839 I902 | W832-A836 HydrophobicContact CE3-CB 4.02Å; W832-A836 HydrophobicContact CH2-CB 3.74Å; W832-A836 HydrophobicContact CZ2-CB 4.3Å; W832-A836 HydrophobicContact CZ3-CB 3.58Å; W832-A836 WeakPolarHBondContact O-CB 3.22Å; W832-A836 PolarHBondContact O-N 2.82Å; A836-N838 VanDerWaalsContact C-N 3.35Å; A836-N838 PolarHBondContact O-N 2.93Å; A836-N839 WeakPolarHBondContact O-CB 3.4Å; A836-N839 PolarHBondContact O-N 3.32Å; A836-N839 VanDerWaalsContact O-N 3.1Å; A836-I902 HydrophobicContact CB-CG2 3.74Å |
| 837 | M | 86.4 | Confident | 87.6 | Confident | 98 Ų | 98 | 54 Ų | 54 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 175 | -70.6 | -60.5 | -61.8 | 0 | 0 | 112.9 | Y833 Q835 N839 F840 I902 | Y833-M837 HydrophobicContact CD1-CG 3.98Å; Y833-M837 HydrophobicContact CE1-CG 3.67Å; Y833-M837 WeakPolarHBondContact O-CB 3.44Å; Y833-M837 VanDerWaalsContact O-CG 3.22Å; Y833-M837 WeakPolarHBondContact O-CG 3.3Å; Y833-M837 PolarHBondContact O-N 3.4Å; Q835-M837 VanDerWaalsContact C-N 3.33Å; Q835-M837 PolarHBondContact O-N 2.9Å; M837-N839 PolarHBondContact O-N 2.94Å; M837-F840 PolarHBondContact O-N 3.34Å; M837-I902 HydrophobicContact CG-CD1 4.13Å; M837-I902 HydrophobicContact SD-CD1 3.87Å; M837-I902 HydrophobicContact SD-CG1 4.4Å |
| 838 | N | 83.6 | Confident | 87.7 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -23.5 | 175.2 | -78.1 | -16.7 | 0 | 0 | 0 | 112 | R834 Q835 A836 F840 K1126 S1127 | R834-N838 WeakPolarHBondContact O-CB 3.42Å; R834-N838 PolarHBondContact O-N 3.21Å; R834-N838 PolarHBondContact O-ND2 3.49Å; Q835-N838 WeakPolarHBondContact O-CB 3.47Å; Q835-N838 PolarHBondContact O-N 3.46Å; Q835-N838 VanDerWaalsContact O-N 3.11Å; A836-N838 VanDerWaalsContact C-N 3.35Å; A836-N838 PolarHBondContact O-N 2.93Å; N838-F840 VanDerWaalsContact C-N 3.31Å; N838-F840 PolarHBondContact O-N 3.26Å; N838-K1126 WeakPolarHBondContact O-CD 3.42Å; N838-K1126 WeakPolarHBondContact O-CE 3.47Å; N838-K1126 PolarHBondContact O-NZ 2.9Å; N838-S1127 PolarHBondContact ND2-OG 2.84Å |
| 839 | N | 85.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.8 | -178.6 | -70.5 | -7.9 | 0 | 0 | 0 | 114.5 | Q835 A836 M837 W841 R1006 D1007 | Q835-N839 PolarHBondContact O-N 2.99Å; Q835-N839 VanDerWaalsContact O-N 3.1Å; Q835-N839 PolarHBondContact O-OD1 3.18Å; A836-N839 WeakPolarHBondContact O-CB 3.4Å; A836-N839 PolarHBondContact O-N 3.32Å; A836-N839 VanDerWaalsContact O-N 3.1Å; M837-N839 PolarHBondContact O-N 2.94Å; N839-W841 VanDerWaalsContact O-CD1 3.28Å; N839-W841 PolarHBondContact O-N 3.4Å; N839-R1006 PolarHBondContact ND2-O 3.49Å; N839-R1006 PolarHBondContact O-NH2 3.46Å; N839-R1006 WeakPolarHBondContact OD1-CD 3.29Å; N839-R1006 PolarHBondContact OD1-NE 3.31Å; N839-D1007 WeakPolarHBondContact CB-OD1 3.36Å; N839-D1007 PolarHBondContact ND2-OD1 2.85Å |
| 840 | F | 86.2 | Confident | 86.7 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 48% | 0.482 | 28% | 0.275 | S | S | . | . | trans | -42.6 | 129.3 | -174.8 | 179 | -94.6 | 0 | 0 | 0 | 115 | M837 N838 I842 F905 K1126 | M837-F840 PolarHBondContact O-N 3.34Å; N838-F840 VanDerWaalsContact C-N 3.31Å; N838-F840 PolarHBondContact O-N 3.26Å; F840-I842 HydrophobicContact CE1-CG2 4.46Å; F840-I842 HydrophobicContact CZ-CG2 3.9Å; F840-F905 HydrophobicContact CD2-CE1 4.2Å; F840-F905 HydrophobicContact CE2-CE1 4.26Å; F840-F905 HydrophobicContact CE2-CZ 4.11Å; F840-K1126 PolarHBondContact O-NZ 3.41Å | ||
| 841 | W | 88.5 | Confident | 86.8 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | trans | -155.4 | 165.2 | 178.6 | 66.5 | -73.8 | 0 | 0 | 0 | 109.6 | N839 P843 I846 V909 S913 E1000 Y1003 I1004 D1007 | N839-W841 VanDerWaalsContact O-CD1 3.28Å; N839-W841 PolarHBondContact O-N 3.4Å; W841-P843 HydrophobicContact CZ3-CB 4.18Å; W841-I846 HydrophobicContact CE3-CD1 4.08Å; W841-I846 HydrophobicContact CZ3-CD1 3.71Å; W841-V909 HydrophobicContact CD2-CG1 4.41Å; W841-V909 HydrophobicContact CZ2-CG1 4.17Å; W841-S913 WeakPolarHBondContact CH2-OG 3.43Å; W841-E1000 HydrophobicContact CH2-CG 3.81Å; W841-E1000 HydrophobicContact CZ3-CG 3.96Å; W841-Y1003 HydrophobicContact CB-CD1 3.81Å; W841-Y1003 HydrophobicContact CB-CE1 4.21Å; W841-Y1003 AromaticContact CD2-CD1 3.62Å; W841-Y1003 HydrophobicContact CD2-CD1 3.62Å; W841-Y1003 HydrophobicContact CD2-CG 4.23Å; W841-Y1003 AromaticContact CE3-CD1 3.75Å; W841-Y1003 HydrophobicContact CE3-CD1 3.75Å; W841-Y1003 HydrophobicContact CE3-CG 4.36Å; W841-Y1003 AromaticContact CG-CD1 3.65Å; W841-Y1003 HydrophobicContact CG-CD1 3.65Å; W841-Y1003 HydrophobicContact CZ3-CD1 4.5Å; W841-I1004 HydrophobicContact CH2-CD1 4.43Å; W841-I1004 HydrophobicContact CH2-CG1 3.85Å; W841-I1004 HydrophobicContact CZ2-CG1 3.6Å; W841-D1007 PolarHBondContact NE1-OD2 2.9Å | ||
| 842 | I | 88.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 32% | 0.323 | 26% | 0.26 | S | S | . | . | trans | -131 | 145.6 | 171.5 | 61.1 | 179.2 | 0 | 0 | 0 | 109.2 | F840 E844 E845 | F840-I842 HydrophobicContact CE1-CG2 4.46Å; F840-I842 HydrophobicContact CZ-CG2 3.9Å; I842-E844 VanDerWaalsContact C-N 3.26Å; I842-E844 PolarHBondContact O-N 3.5Å; I842-E845 HydrophobicContact CD1-CG 4.37Å; I842-E845 HydrophobicContact CG1-CG 3.68Å; I842-E845 WeakPolarHBondContact O-CB 3.42Å; I842-E845 PolarHBondContact O-N 3.38Å; I842-E845 VanDerWaalsContact O-N 3.13Å | ||
| 843 | P | 85.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.4 | -30.5 | -171.9 | 22.4 | -32.1 | 0 | 0 | 0 | 113.9 | W841 E845 I846 Q912 Y916 E1000 | W841-P843 HydrophobicContact CZ3-CB 4.18Å; P843-E845 PolarHBondContact O-N 3.39Å; P843-I846 PolarHBondContact O-N 2.84Å; P843-Q912 HydrophobicContact CG-CB 4.45Å; P843-Q912 HydrophobicContact CG-CG 3.87Å; P843-Y916 HydrophobicContact CB-CD1 3.79Å; P843-Y916 HydrophobicContact CB-CG 4.07Å; P843-Y916 VanDerWaalsContact O-CE1 3.3Å; P843-Y916 WeakPolarHBondContact O-CE1 3.47Å; P843-E1000 VanDerWaalsContact CB-OE1 3.25Å; P843-E1000 WeakPolarHBondContact CB-OE1 3.5Å |
| 844 | E | 83.4 | Confident | 86.4 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -65.1 | -9.8 | 178.2 | -59.7 | 84.2 | 173.7 | 0 | 0 | 113.8 | I842 Q912 Y916 | I842-E844 VanDerWaalsContact C-N 3.26Å; I842-E844 PolarHBondContact O-N 3.5Å; E844-Q912 PolarHBondContact OE1-NE2 3.45Å; E844-Y916 HydrophobicContact CG-CD2 4.47Å; E844-Y916 HydrophobicContact CG-CE2 4.32Å |
| 845 | E | 80 | Confident | 86.7 | Confident | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -74.1 | -14.5 | 170.9 | -70.1 | 178.2 | -176.6 | 0 | 0 | 113.1 | I842 P843 | I842-E845 HydrophobicContact CD1-CG 4.37Å; I842-E845 HydrophobicContact CG1-CG 3.68Å; I842-E845 WeakPolarHBondContact O-CB 3.42Å; I842-E845 PolarHBondContact O-N 3.38Å; I842-E845 VanDerWaalsContact O-N 3.13Å; P843-E845 PolarHBondContact O-N 3.39Å |
| 846 | I | 84.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -101.4 | 127.3 | -173.5 | -56.7 | -179.5 | 0 | 0 | 0 | 110 | W841 P843 L848 Y916 Q999 E1000 Y1003 | W841-I846 HydrophobicContact CE3-CD1 4.08Å; W841-I846 HydrophobicContact CZ3-CD1 3.71Å; P843-I846 PolarHBondContact O-N 2.84Å; I846-L848 HydrophobicContact CG2-CD2 4.27Å; I846-L848 PolarHBondContact O-N 3.02Å; I846-Y916 PolarHBondContact O-OH 3.01Å; I846-Q999 HydrophobicContact CD1-CG 4.42Å; I846-Q999 HydrophobicContact CG2-CB 4.13Å; I846-Q999 HydrophobicContact CG2-CG 4.22Å; I846-E1000 VanDerWaalsContact CD1-CA 3.41Å; I846-E1000 HydrophobicContact CD1-CB 3.71Å; I846-E1000 HydrophobicContact CD1-CG 3.94Å; I846-Y1003 HydrophobicContact CD1-CD1 4.36Å; I846-Y1003 HydrophobicContact CD1-CG 4.41Å |
| 847 | N | 84.1 | Confident | 86.9 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | trans | -85.9 | 109.3 | -177 | -174.8 | -6.4 | 0 | 0 | 0 | 111.5 | S849 | N847-S849 WeakPolarHBondContact OD1-CB 3.31Å; N847-S849 PolarHBondContact OD1-N 3.34Å; N847-S849 PolarHBondContact OD1-OG 3.42Å | ||
| 848 | L | 88.9 | Confident | 87.3 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | trans | -92.5 | 11.6 | 177.2 | -57.9 | -177.6 | 0 | 0 | 0 | 114.1 | I846 Q850 D851 V852 Y916 M917 T920 G996 | I846-L848 HydrophobicContact CG2-CD2 4.27Å; I846-L848 PolarHBondContact O-N 3.02Å; L848-Q850 PolarHBondContact O-N 2.85Å; L848-Q850 VanDerWaalsContact O-N 3.16Å; L848-D851 HydrophobicContact CB-CB 4.33Å; L848-D851 WeakPolarHBondContact O-CB 3.46Å; L848-D851 PolarHBondContact O-N 2.93Å; L848-D851 VanDerWaalsContact O-N 3.1Å; L848-V852 WeakPolarHBondContact O-CG2 3.5Å; L848-V852 PolarHBondContact O-N 2.95Å; L848-Y916 HydrophobicContact CD1-CD1 3.68Å; L848-Y916 HydrophobicContact CD1-CE1 3.42Å; L848-Y916 VanDerWaalsContact CD1-CE1 3.42Å; L848-Y916 HydrophobicContact CG-CD1 4.46Å; L848-Y916 HydrophobicContact CG-CE1 3.79Å; L848-M917 HydrophobicContact CD1-CB 4.47Å; L848-M917 HydrophobicContact CD1-CG 4.11Å; L848-T920 HydrophobicContact CB-CG2 3.8Å; L848-T920 HydrophobicContact CD1-CG2 4.1Å; L848-G996 VanDerWaalsContact CD2-C 3.45Å | ||
| 849 | S | 84.2 | Confident | 87.6 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.8 | -176.4 | -62.5 | 0 | 0 | 0 | 0 | 113.7 | N847 | N847-S849 WeakPolarHBondContact OD1-CB 3.31Å; N847-S849 PolarHBondContact OD1-N 3.34Å; N847-S849 PolarHBondContact OD1-OG 3.42Å |
| 850 | Q | 82.5 | Confident | 87.9 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -41.8 | 176.4 | -174.4 | 55.8 | 42.1 | 0 | 0 | 110.7 | L848 V852 K853 D854 | L848-Q850 PolarHBondContact O-N 2.85Å; L848-Q850 VanDerWaalsContact O-N 3.16Å; Q850-V852 VanDerWaalsContact C-N 3.34Å; Q850-V852 PolarHBondContact O-N 3.34Å; Q850-K853 WeakPolarHBondContact O-CA 3.3Å; Q850-K853 WeakPolarHBondContact O-CB 3.47Å; Q850-K853 PolarHBondContact O-N 2.9Å; Q850-D854 WeakPolarHBondContact CG-OD2 3.29Å; Q850-D854 PolarHBondContact NE2-OD1 2.95Å; Q850-D854 PolarHBondContact NE2-OD2 2.9Å; Q850-D854 PolarHBondContact O-N 3.3Å |
| 851 | D | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 179 | -58.7 | -113.8 | 0 | 0 | 0 | 112 | L848 K853 D854 Y855 I921 M994 G996 S997 | L848-D851 HydrophobicContact CB-CB 4.33Å; L848-D851 WeakPolarHBondContact O-CB 3.46Å; L848-D851 PolarHBondContact O-N 2.93Å; L848-D851 VanDerWaalsContact O-N 3.1Å; D851-K853 PolarHBondContact O-N 3.39Å; D851-D854 PolarHBondContact O-N 3.49Å; D851-D854 VanDerWaalsContact O-N 3.13Å; D851-Y855 VanDerWaalsContact O-CB 3.26Å; D851-Y855 WeakPolarHBondContact O-CB 3.35Å; D851-Y855 PolarHBondContact O-N 3.47Å; D851-I921 HydrophobicContact CB-CG2 4.01Å; D851-M994 HydrophobicContact CB-CE 3.73Å; D851-M994 HydrophobicContact CB-SD 4.13Å; D851-M994 WeakPolarHBondContact OD1-CA 3.31Å; D851-G996 PolarHBondContact OD1-N 3.06Å; D851-G996 WeakPolarHBondContact OD2-CA 3.43Å; D851-G996 PolarHBondContact OD2-N 2.95Å; D851-S997 WeakPolarHBondContact OD1-CB 3.17Å; D851-S997 PolarHBondContact OD1-N 2.64Å; D851-S997 PolarHBondContact OD1-OG 3.38Å; D851-S997 VanDerWaalsContact OD1-OG 3.12Å |
| 852 | V | 88.9 | Confident | 88.3 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 39% | 0.394 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56 | -34.2 | 172 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | L848 Q850 P856 T920 I921 | L848-V852 WeakPolarHBondContact O-CG2 3.5Å; L848-V852 PolarHBondContact O-N 2.95Å; Q850-V852 VanDerWaalsContact C-N 3.34Å; Q850-V852 PolarHBondContact O-N 3.34Å; V852-P856 VanDerWaalsContact O-CD 3.23Å; V852-P856 WeakPolarHBondContact O-CD 3.42Å; V852-T920 HydrophobicContact CG2-CG2 3.74Å; V852-T920 WeakPolarHBondContact CG2-O 3.49Å; V852-I921 HydrophobicContact CG2-CG2 4.4Å |
| 853 | K | 86.6 | Confident | 88.5 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84.1 | -35 | 177.7 | -59.9 | 172.9 | -172.8 | 167 | 0 | 111.8 | Q850 D851 R857 | Q850-K853 WeakPolarHBondContact O-CA 3.3Å; Q850-K853 WeakPolarHBondContact O-CB 3.47Å; Q850-K853 PolarHBondContact O-N 2.9Å; D851-K853 PolarHBondContact O-N 3.39Å; K853-R857 PolarHBondContact O-NE 3.32Å |
| 854 | D | 92.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.2 | -40.2 | -175.3 | -69.5 | -11.8 | 0 | 0 | 0 | 112.1 | Q850 D851 R857 L858 K993 M994 | Q850-D854 WeakPolarHBondContact CG-OD2 3.29Å; Q850-D854 PolarHBondContact NE2-OD1 2.95Å; Q850-D854 PolarHBondContact NE2-OD2 2.9Å; Q850-D854 PolarHBondContact O-N 3.3Å; D851-D854 PolarHBondContact O-N 3.49Å; D851-D854 VanDerWaalsContact O-N 3.13Å; D854-R857 CarbonylContact O-C 3.53Å; D854-R857 WeakPolarHBondContact O-CA 3.41Å; D854-R857 WeakPolarHBondContact O-CB 3.1Å; D854-R857 PolarHBondContact O-N 2.88Å; D854-R857 IonicContact OD1-CZ 3.7Å; D854-R857 IonicContact OD1-NH2 2.68Å; D854-R857 PolarHBondContact OD1-NH2 2.95Å; D854-L858 PolarHBondContact O-N 3.44Å; D854-K993 WeakPolarHBondContact OD2-CA 3.35Å; D854-M994 HydrophobicContact CB-CG 4.46Å; D854-M994 HydrophobicContact CB-SD 3.68Å; D854-M994 PolarHBondContact OD2-N 2.58Å |
| 855 | Y | 92.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -54.8 | -48.1 | -174.4 | -179.8 | -103.2 | 0 | 0 | 0 | 113.1 | D851 R857 L858 R863 Y866 D867 I921 C922 M994 | D851-Y855 VanDerWaalsContact O-CB 3.26Å; D851-Y855 WeakPolarHBondContact O-CB 3.35Å; D851-Y855 PolarHBondContact O-N 3.47Å; Y855-R857 PolarHBondContact O-N 2.89Å; Y855-L858 HydrophobicContact CD2-CD1 3.96Å; Y855-L858 WeakPolarHBondContact O-CB 3.07Å; Y855-L858 PolarHBondContact O-N 2.9Å; Y855-R863 HydrophobicContact CE2-CG 3.82Å; Y855-R863 VanDerWaalsContact O-CZ 3.26Å; Y855-R863 PolarHBondContact O-NE 3.35Å; Y855-R863 PolarHBondContact O-NH2 3.25Å; Y855-Y866 HydrophobicContact CD2-CD1 4.26Å; Y855-Y866 HydrophobicContact CD2-CE1 4.32Å; Y855-Y866 AromaticContact CE2-CD1 3.78Å; Y855-Y866 HydrophobicContact CE2-CD1 3.78Å; Y855-Y866 HydrophobicContact CE2-CE1 4.08Å; Y855-Y866 HydrophobicContact CE2-CG 4.46Å; Y855-D867 PolarHBondContact OH-OD1 3.08Å; Y855-I921 HydrophobicContact CD1-CB 4.5Å; Y855-I921 HydrophobicContact CD2-CD1 4.39Å; Y855-I921 HydrophobicContact CG-CB 4.37Å; Y855-I921 HydrophobicContact CG-CG1 4.43Å; Y855-C922 VanDerWaalsContact CZ-SG 3.57Å; Y855-C922 PolarHBondContact OH-SG 3.32Å; Y855-M994 HydrophobicContact CD2-CE 4.18Å |
| 856 | P | 88.7 | Confident | 89.9 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.5 | 175 | -19.9 | 33.8 | 0 | 0 | 0 | 114.6 | V852 R863 | V852-P856 VanDerWaalsContact O-CD 3.23Å; V852-P856 WeakPolarHBondContact O-CD 3.42Å; P856-R863 PolarHBondContact O-NH2 2.93Å |
| 857 | R | 91.7 | Very high | 90.2 | Very high | 163 Ų | 163 | 51.9 Ų | 51.9 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -101.2 | -5.8 | 179.9 | -62.9 | -175.9 | -68.3 | 172.5 | 3.1 | 113.4 | K853 D854 Y855 | K853-R857 PolarHBondContact O-NE 3.32Å; D854-R857 CarbonylContact O-C 3.53Å; D854-R857 WeakPolarHBondContact O-CA 3.41Å; D854-R857 WeakPolarHBondContact O-CB 3.1Å; D854-R857 PolarHBondContact O-N 2.88Å; D854-R857 IonicContact OD1-CZ 3.7Å; D854-R857 IonicContact OD1-NH2 2.68Å; D854-R857 PolarHBondContact OD1-NH2 2.95Å; Y855-R857 PolarHBondContact O-N 2.89Å |
| 858 | L | 93.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -57.5 | 143.5 | 172.7 | -68 | -178.1 | 0 | 0 | 0 | 110.5 | D854 Y855 E862 R863 L988 K993 M994 | D854-L858 PolarHBondContact O-N 3.44Å; Y855-L858 HydrophobicContact CD2-CD1 3.96Å; Y855-L858 WeakPolarHBondContact O-CB 3.07Å; Y855-L858 PolarHBondContact O-N 2.9Å; L858-E862 HydrophobicContact CB-CB 4.11Å; L858-E862 HydrophobicContact CD2-CB 4.4Å; L858-R863 HydrophobicContact CB-CB 4.14Å; L858-R863 PolarHBondContact O-NH2 3.3Å; L858-L988 HydrophobicContact CD2-CD2 4.24Å; L858-K993 HydrophobicContact CD2-CB 4.12Å; L858-K993 HydrophobicContact CD2-CD 3.81Å; L858-K993 HydrophobicContact CD2-CG 4.4Å; L858-M994 HydrophobicContact CD1-CG 4.13Å; L858-M994 HydrophobicContact CD1-SD 4.21Å; L858-M994 HydrophobicContact CD2-CG 4.11Å |
| 859 | L | 91.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 48 Ų | 48 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | trans | -58.2 | 153.4 | 170.2 | -62.1 | 174.7 | 0 | 0 | 0 | 109.6 | A861 E862 R863 P1062 | L859-A861 PolarHBondContact O-N 2.96Å; L859-E862 HydrophobicContact CB-CB 4.24Å; L859-E862 HydrophobicContact CB-CG 4.03Å; L859-E862 WeakPolarHBondContact CB-OE2 3.27Å; L859-E862 HydrophobicContact CD1-CG 4.47Å; L859-E862 WeakPolarHBondContact CG-OE2 3.33Å; L859-E862 PolarHBondContact N-OE2 2.82Å; L859-E862 WeakPolarHBondContact O-CB 3.48Å; L859-E862 PolarHBondContact O-N 2.73Å; L859-E862 VanDerWaalsContact O-N 3.07Å; L859-R863 PolarHBondContact O-N 2.68Å; L859-P1062 HydrophobicContact CD1-CG 4.03Å | ||
| 860 | S | 90.5 | Very high | 91.1 | Very high | 108 Ų | 108 | 44.6 Ų | 44.6 | 76% | 0.755 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56.3 | -39.1 | -179.1 | -170.6 | 0 | 0 | 0 | 0 | 112.6 | S864 | S860-S864 WeakPolarHBondContact O-CB 3.39Å; S860-S864 PolarHBondContact O-N 3.1Å |
| 861 | A | 91 | Very high | 91.4 | Very high | 32 Ų | 32 | 41 Ų | 41 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L859 R863 S864 A865 D1060 I1061 | L859-A861 PolarHBondContact O-N 2.96Å; A861-R863 PolarHBondContact O-N 3.45Å; A861-S864 PolarHBondContact O-N 3.47Å; A861-A865 WeakPolarHBondContact O-CB 3.31Å; A861-A865 PolarHBondContact O-N 2.83Å; A861-D1060 HydrophobicContact CB-CB 3.79Å; A861-I1061 HydrophobicContact CB-CG1 4.16Å |
| 862 | E | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 176.5 | -70.4 | 174.3 | 151.3 | 0 | 0 | 111.9 | L858 L859 A865 Y866 F984 L988 K993 I1061 | L858-E862 HydrophobicContact CB-CB 4.11Å; L858-E862 HydrophobicContact CD2-CB 4.4Å; L859-E862 HydrophobicContact CB-CB 4.24Å; L859-E862 HydrophobicContact CB-CG 4.03Å; L859-E862 WeakPolarHBondContact CB-OE2 3.27Å; L859-E862 HydrophobicContact CD1-CG 4.47Å; L859-E862 WeakPolarHBondContact CG-OE2 3.33Å; L859-E862 PolarHBondContact N-OE2 2.82Å; L859-E862 WeakPolarHBondContact O-CB 3.48Å; L859-E862 PolarHBondContact O-N 2.73Å; L859-E862 VanDerWaalsContact O-N 3.07Å; E862-A865 PolarHBondContact O-N 3.35Å; E862-Y866 VanDerWaalsContact O-CB 3.3Å; E862-Y866 WeakPolarHBondContact O-CB 3.27Å; E862-Y866 PolarHBondContact O-N 2.69Å; E862-F984 WeakPolarHBondContact O-CZ 3.38Å; E862-L988 HydrophobicContact CB-CD2 4.23Å; E862-L988 HydrophobicContact CG-CD2 4.09Å; E862-K993 IonicContact OE1-NZ 2.67Å; E862-K993 PolarHBondContact OE1-NZ 3.3Å; E862-K993 IonicContact OE2-NZ 2.74Å; E862-K993 PolarHBondContact OE2-NZ 3.17Å; E862-I1061 HydrophobicContact CG-CG2 4.12Å |
| 863 | R | 92.9 | Very high | 91.5 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.4 | -45.9 | -179.8 | -163.1 | 177.4 | -46.7 | -174.7 | 9.1 | 112 | Y855 P856 L858 L859 A861 A865 Y866 D867 | Y855-R863 HydrophobicContact CE2-CG 3.82Å; Y855-R863 VanDerWaalsContact O-CZ 3.26Å; Y855-R863 PolarHBondContact O-NE 3.35Å; Y855-R863 PolarHBondContact O-NH2 3.25Å; P856-R863 PolarHBondContact O-NH2 2.93Å; L858-R863 HydrophobicContact CB-CB 4.14Å; L858-R863 PolarHBondContact O-NH2 3.3Å; L859-R863 PolarHBondContact O-N 2.68Å; A861-R863 PolarHBondContact O-N 3.45Å; R863-A865 PolarHBondContact O-N 3.05Å; R863-Y866 WeakPolarHBondContact O-CB 3.14Å; R863-Y866 PolarHBondContact O-N 3.13Å; R863-D867 PolarHBondContact O-N 3.44Å |
| 864 | S | 91.2 | Very high | 91.7 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | S860 A861 K868 | S860-S864 WeakPolarHBondContact O-CB 3.39Å; S860-S864 PolarHBondContact O-N 3.1Å; A861-S864 PolarHBondContact O-N 3.47Å; S864-K868 VanDerWaalsContact O-CB 3.32Å; S864-K868 WeakPolarHBondContact O-CB 3.44Å; S864-K868 WeakPolarHBondContact O-CG 3.41Å; S864-K868 PolarHBondContact O-N 3.28Å |
| 865 | A | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.5 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A861 E862 R863 D867 K868 I869 F984 V1056 I1061 | A861-A865 WeakPolarHBondContact O-CB 3.31Å; A861-A865 PolarHBondContact O-N 2.83Å; E862-A865 PolarHBondContact O-N 3.35Å; R863-A865 PolarHBondContact O-N 3.05Å; A865-D867 PolarHBondContact O-N 3.44Å; A865-K868 PolarHBondContact O-N 3.38Å; A865-I869 HydrophobicContact CB-CD1 4.47Å; A865-I869 WeakPolarHBondContact O-CB 3.5Å; A865-I869 WeakPolarHBondContact O-CD1 3.33Å; A865-I869 WeakPolarHBondContact O-CG1 3.47Å; A865-I869 PolarHBondContact O-N 3.08Å; A865-F984 HydrophobicContact CB-CD2 4.31Å; A865-F984 HydrophobicContact CB-CE2 3.63Å; A865-F984 HydrophobicContact CB-CZ 3.74Å; A865-V1056 HydrophobicContact CB-CG2 4.27Å; A865-V1056 WeakPolarHBondContact CB-O 3.4Å; A865-I1061 HydrophobicContact CB-CD1 3.53Å |
| 866 | Y | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.6 | -52.9 | 175.5 | -175.2 | -79.6 | 0 | 0 | 0 | 111.5 | Y855 E862 R863 K868 I869 L870 I921 F984 F985 L988 M994 S997 | Y855-Y866 HydrophobicContact CD2-CD1 4.26Å; Y855-Y866 HydrophobicContact CD2-CE1 4.32Å; Y855-Y866 AromaticContact CE2-CD1 3.78Å; Y855-Y866 HydrophobicContact CE2-CD1 3.78Å; Y855-Y866 HydrophobicContact CE2-CE1 4.08Å; Y855-Y866 HydrophobicContact CE2-CG 4.46Å; E862-Y866 VanDerWaalsContact O-CB 3.3Å; E862-Y866 WeakPolarHBondContact O-CB 3.27Å; E862-Y866 PolarHBondContact O-N 2.69Å; R863-Y866 WeakPolarHBondContact O-CB 3.14Å; R863-Y866 PolarHBondContact O-N 3.13Å; Y866-K868 PolarHBondContact O-N 3.4Å; Y866-I869 PolarHBondContact O-N 3.44Å; Y866-L870 HydrophobicContact CD1-CD2 4.38Å; Y866-L870 HydrophobicContact CE1-CD2 3.59Å; Y866-L870 WeakPolarHBondContact O-CB 3.36Å; Y866-L870 PolarHBondContact O-N 3.27Å; Y866-I921 HydrophobicContact CE1-CD1 3.6Å; Y866-I921 WeakPolarHBondContact OH-CD1 3.24Å; Y866-F984 VanDerWaalsContact CA-CE1 3.47Å; Y866-F984 HydrophobicContact CD2-CE1 4.1Å; Y866-F984 HydrophobicContact CG-CE1 4.39Å; Y866-F985 HydrophobicContact CD2-CD1 4.19Å; Y866-F985 AromaticContact CD2-CE1 3.69Å; Y866-F985 HydrophobicContact CD2-CE1 3.69Å; Y866-F985 HydrophobicContact CD2-CZ 4.48Å; Y866-F985 AromaticContact CE2-CD1 3.83Å; Y866-F985 HydrophobicContact CE2-CD1 3.83Å; Y866-F985 AromaticContact CE2-CE1 3.3Å; Y866-F985 HydrophobicContact CE2-CE1 3.3Å; Y866-F985 HydrophobicContact CE2-CZ 4.35Å; Y866-F985 AromaticContact CZ-CE1 3.83Å; Y866-L988 HydrophobicContact CD2-CD1 3.8Å; Y866-M994 HydrophobicContact CD2-CE 4.43Å; Y866-M994 HydrophobicContact CE2-CE 3.61Å; Y866-M994 HydrophobicContact CE2-CG 4.37Å; Y866-S997 PolarHBondContact OH-OG 2.88Å |
| 867 | D | 92.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | -177.5 | -67.6 | -7.5 | 0 | 0 | 0 | 111.9 | Y855 R863 A865 L870 S871 I930 | Y855-D867 PolarHBondContact OH-OD1 3.08Å; R863-D867 PolarHBondContact O-N 3.44Å; A865-D867 PolarHBondContact O-N 3.44Å; D867-L870 PolarHBondContact O-N 3.25Å; D867-S871 WeakPolarHBondContact O-CB 3.43Å; D867-S871 PolarHBondContact O-N 3.37Å; D867-I930 HydrophobicContact CB-CD1 4.11Å; D867-I930 HydrophobicContact CB-CG1 3.92Å; D867-I930 WeakPolarHBondContact O-CG2 3.25Å |
| 868 | K | 91.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -178.2 | -83.1 | 179.2 | -179.8 | 177.3 | 0 | 112.8 | S864 A865 Y866 F872 W1052 Y1055 V1056 | S864-K868 VanDerWaalsContact O-CB 3.32Å; S864-K868 WeakPolarHBondContact O-CB 3.44Å; S864-K868 WeakPolarHBondContact O-CG 3.41Å; S864-K868 PolarHBondContact O-N 3.28Å; A865-K868 PolarHBondContact O-N 3.38Å; Y866-K868 PolarHBondContact O-N 3.4Å; K868-F872 PolarHBondContact O-N 3.18Å; K868-W1052 HydrophobicContact CB-CH2 3.77Å; K868-W1052 HydrophobicContact CB-CZ2 4.09Å; K868-W1052 HydrophobicContact CD-CH2 4.4Å; K868-W1052 HydrophobicContact CG-CH2 4.4Å; K868-Y1055 HydrophobicContact CD-CE1 4.35Å; K868-Y1055 PolarHBondContact NZ-OH 2.86Å; K868-V1056 HydrophobicContact CB-CG2 3.51Å; K868-V1056 HydrophobicContact CD-CG2 3.83Å; K868-V1056 HydrophobicContact CG-CG2 4.33Å |
| 869 | I | 92.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 177.6 | -67.3 | 167.2 | 0 | 0 | 0 | 109.1 | A865 Y866 S871 F872 L873 F984 F985 W1052 V1056 I1057 | A865-I869 HydrophobicContact CB-CD1 4.47Å; A865-I869 WeakPolarHBondContact O-CB 3.5Å; A865-I869 WeakPolarHBondContact O-CD1 3.33Å; A865-I869 WeakPolarHBondContact O-CG1 3.47Å; A865-I869 PolarHBondContact O-N 3.08Å; Y866-I869 PolarHBondContact O-N 3.44Å; I869-S871 PolarHBondContact O-N 2.98Å; I869-F872 WeakPolarHBondContact O-CB 3.26Å; I869-F872 PolarHBondContact O-N 2.94Å; I869-L873 HydrophobicContact CG2-CD1 4.18Å; I869-L873 HydrophobicContact CG2-CG 4.36Å; I869-L873 WeakPolarHBondContact O-CG 3.31Å; I869-L873 PolarHBondContact O-N 3.24Å; I869-F984 HydrophobicContact CD1-CB 3.59Å; I869-F984 HydrophobicContact CD1-CD1 3.58Å; I869-F984 HydrophobicContact CD1-CD2 4.02Å; I869-F984 HydrophobicContact CD1-CE1 4.29Å; I869-F984 HydrophobicContact CD1-CG 3.42Å; I869-F984 VanDerWaalsContact CD1-CG 3.42Å; I869-F985 HydrophobicContact CG2-CE2 3.73Å; I869-F985 HydrophobicContact CG2-CZ 4.41Å; I869-W1052 HydrophobicContact CG1-CZ2 4.26Å; I869-V1056 HydrophobicContact CD1-CG1 4.14Å; I869-V1056 HydrophobicContact CD1-CG2 4.47Å; I869-V1056 HydrophobicContact CG1-CG1 4.08Å; I869-V1056 HydrophobicContact CG1-CG2 4.02Å; I869-I1057 HydrophobicContact CD1-CG1 4.5Å |
| 870 | L | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 179.3 | -172.8 | 55.7 | 0 | 0 | 0 | 112.4 | Y866 D867 F872 L873 V874 Y914 M917 L918 F985 | Y866-L870 HydrophobicContact CD1-CD2 4.38Å; Y866-L870 HydrophobicContact CE1-CD2 3.59Å; Y866-L870 WeakPolarHBondContact O-CB 3.36Å; Y866-L870 PolarHBondContact O-N 3.27Å; D867-L870 PolarHBondContact O-N 3.25Å; L870-F872 PolarHBondContact O-N 3.06Å; L870-L873 PolarHBondContact O-N 2.69Å; L870-V874 VanDerWaalsContact O-CG2 3.27Å; L870-V874 WeakPolarHBondContact O-CG2 3.36Å; L870-V874 PolarHBondContact O-N 2.71Å; L870-Y914 HydrophobicContact CD1-CD1 3.35Å; L870-Y914 HydrophobicContact CD1-CE1 4.17Å; L870-Y914 HydrophobicContact CD1-CG 3.98Å; L870-M917 HydrophobicContact CD1-CE 3.8Å; L870-L918 HydrophobicContact CD2-CD2 3.5Å; L870-L918 VanDerWaalsContact CD2-CD2 3.5Å; L870-L918 HydrophobicContact CD2-CG 3.81Å; L870-L918 HydrophobicContact CG-CD2 4.35Å; L870-L918 HydrophobicContact CG-CG 4.46Å; L870-F985 HydrophobicContact CB-CZ 4.48Å |
| 871 | S | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.3 | -43.3 | 172.5 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | D867 I869 F875 I930 W934 | D867-S871 WeakPolarHBondContact O-CB 3.43Å; D867-S871 PolarHBondContact O-N 3.37Å; I869-S871 PolarHBondContact O-N 2.98Å; S871-F875 PolarHBondContact O-N 2.77Å; S871-I930 WeakPolarHBondContact CB-O 3.38Å; S871-I930 PolarHBondContact OG-O 3.44Å; S871-W934 PolarHBondContact OG-N 2.74Å |
| 872 | F | 90.1 | Very high | 92 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -49.9 | 179.8 | 176.8 | -112.3 | 0 | 0 | 0 | 112.3 | K868 I869 L870 V874 F875 L876 L940 R943 N944 Y977 | K868-F872 PolarHBondContact O-N 3.18Å; I869-F872 WeakPolarHBondContact O-CB 3.26Å; I869-F872 PolarHBondContact O-N 2.94Å; L870-F872 PolarHBondContact O-N 3.06Å; F872-V874 VanDerWaalsContact C-N 3.33Å; F872-V874 PolarHBondContact O-N 2.86Å; F872-F875 PolarHBondContact O-N 2.74Å; F872-F875 VanDerWaalsContact O-N 3.11Å; F872-L876 HydrophobicContact CD1-CD1 4Å; F872-L876 HydrophobicContact CD1-CG 4.37Å; F872-L876 HydrophobicContact CD2-CD2 4.47Å; F872-L876 HydrophobicContact CD2-CG 4.26Å; F872-L876 HydrophobicContact CE1-CD1 3.23Å; F872-L876 HydrophobicContact CE1-CG 3.92Å; F872-L876 HydrophobicContact CE2-CD1 3.97Å; F872-L876 HydrophobicContact CE2-CD2 3.74Å; F872-L876 HydrophobicContact CE2-CG 3.84Å; F872-L876 HydrophobicContact CZ-CD1 3.25Å; F872-L876 HydrophobicContact CZ-CD2 3.8Å; F872-L876 HydrophobicContact CZ-CG 3.66Å; F872-L876 PolarHBondContact O-N 2.98Å; F872-L940 HydrophobicContact CB-CD2 3.61Å; F872-L940 HydrophobicContact CD2-CD2 3.73Å; F872-L940 HydrophobicContact CG-CD2 3.92Å; F872-R943 HydrophobicContact CE2-CB 4.24Å; F872-N944 WeakPolarHBondContact CD2-OD1 3.47Å; F872-N944 WeakPolarHBondContact CE2-OD1 3.5Å; F872-Y977 HydrophobicContact CE1-CD2 4.45Å; F872-Y977 HydrophobicContact CE1-CG 4.4Å; F872-Y977 AromaticContact CZ-CD2 3.66Å; F872-Y977 HydrophobicContact CZ-CD2 3.66Å; F872-Y977 HydrophobicContact CZ-CE2 4.3Å; F872-Y977 AromaticContact CZ-CG 4Å; F872-Y977 HydrophobicContact CZ-CG 4Å |
| 873 | L | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.9 | -48.6 | 178.7 | -64.8 | 179.6 | 0 | 0 | 0 | 111.1 | I869 L870 F875 L876 D877 Y914 F978 F982 F985 I1001 | I869-L873 HydrophobicContact CG2-CD1 4.18Å; I869-L873 HydrophobicContact CG2-CG 4.36Å; I869-L873 WeakPolarHBondContact O-CG 3.31Å; I869-L873 PolarHBondContact O-N 3.24Å; L870-L873 PolarHBondContact O-N 2.69Å; L873-F875 VanDerWaalsContact C-N 3.26Å; L873-F875 PolarHBondContact O-N 2.74Å; L873-L876 PolarHBondContact O-N 3.37Å; L873-L876 VanDerWaalsContact O-N 3.09Å; L873-D877 PolarHBondContact O-N 3.14Å; L873-D877 VanDerWaalsContact O-N 3.11Å; L873-Y914 HydrophobicContact CB-CD1 4.38Å; L873-Y914 HydrophobicContact CB-CE1 3.77Å; L873-Y914 HydrophobicContact CB-CE2 4.21Å; L873-Y914 HydrophobicContact CD1-CE1 3.86Å; L873-Y914 HydrophobicContact CG-CE1 4.44Å; L873-F978 HydrophobicContact CB-CE1 4.49Å; L873-F978 HydrophobicContact CD2-CD1 3.39Å; L873-F978 HydrophobicContact CD2-CE1 3.6Å; L873-F982 HydrophobicContact CD1-CE1 4.32Å; L873-F982 HydrophobicContact CD2-CE1 4.28Å; L873-F985 HydrophobicContact CD1-CE2 3.87Å; L873-F985 HydrophobicContact CD1-CZ 4.41Å; L873-I1001 HydrophobicContact CD1-CD1 4.12Å |
| 874 | V | 90.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -52.8 | -44 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | L870 F872 S878 Y914 L931 | L870-V874 VanDerWaalsContact O-CG2 3.27Å; L870-V874 WeakPolarHBondContact O-CG2 3.36Å; L870-V874 PolarHBondContact O-N 2.71Å; F872-V874 VanDerWaalsContact C-N 3.33Å; F872-V874 PolarHBondContact O-N 2.86Å; V874-S878 VanDerWaalsContact O-CB 3.3Å; V874-S878 WeakPolarHBondContact O-CB 3.44Å; V874-S878 PolarHBondContact O-N 2.87Å; V874-S878 PolarHBondContact O-OG 3.5Å; V874-Y914 HydrophobicContact CG2-CD2 4.03Å; V874-Y914 HydrophobicContact CG2-CG 3.83Å; V874-L931 HydrophobicContact CB-CD2 4.49Å; V874-L931 HydrophobicContact CG1-CD2 3.72Å; V874-L931 HydrophobicContact CG2-CD2 4.26Å |
| 875 | F | 90.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 18.4 Ų | 18.4 | 13% | 0.132 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | -179.7 | 178.5 | -98 | 0 | 0 | 0 | 112 | S871 F872 L873 S878 I879 W934 N944 | S871-F875 PolarHBondContact O-N 2.77Å; F872-F875 PolarHBondContact O-N 2.74Å; F872-F875 VanDerWaalsContact O-N 3.11Å; L873-F875 VanDerWaalsContact C-N 3.26Å; L873-F875 PolarHBondContact O-N 2.74Å; F875-S878 WeakPolarHBondContact O-CB 3.35Å; F875-S878 PolarHBondContact O-N 3.37Å; F875-I879 HydrophobicContact CD1-CD1 4.35Å; F875-I879 HydrophobicContact CD1-CG2 4.29Å; F875-I879 HydrophobicContact CD2-CG2 4.25Å; F875-I879 HydrophobicContact CE1-CD1 3.83Å; F875-I879 HydrophobicContact CE1-CG1 4.4Å; F875-I879 HydrophobicContact CE1-CG2 3.74Å; F875-I879 HydrophobicContact CE2-CG2 3.69Å; F875-I879 HydrophobicContact CZ-CD1 4.49Å; F875-I879 HydrophobicContact CZ-CG2 3.43Å; F875-I879 VanDerWaalsContact CZ-CG2 3.43Å; F875-I879 PolarHBondContact O-N 3.03Å; F875-W934 HydrophobicContact CB-CB 4.36Å; F875-W934 HydrophobicContact CB-CD2 4.46Å; F875-W934 HydrophobicContact CB-CG 4.07Å; F875-W934 AromaticContact CD2-CD2 3.48Å; F875-W934 HydrophobicContact CD2-CD2 3.48Å; F875-W934 VanDerWaalsContact CD2-CD2 3.48Å; F875-W934 AromaticContact CD2-CE2 3.33Å; F875-W934 AromaticContact CD2-CE3 3.84Å; F875-W934 HydrophobicContact CD2-CE3 3.84Å; F875-W934 AromaticContact CD2-CG 3.98Å; F875-W934 HydrophobicContact CD2-CG 3.98Å; F875-W934 AromaticContact CD2-CH2 3.96Å; F875-W934 HydrophobicContact CD2-CH2 3.96Å; F875-W934 AromaticContact CD2-CZ2 3.59Å; F875-W934 HydrophobicContact CD2-CZ2 3.59Å; F875-W934 HydrophobicContact CD2-CZ3 4.07Å; F875-W934 AromaticContact CD2-NE1 3.73Å; F875-W934 AromaticContact CE2-CD2 3.82Å; F875-W934 HydrophobicContact CE2-CD2 3.82Å; F875-W934 AromaticContact CE2-CE2 3.67Å; F875-W934 AromaticContact CE2-CE3 3.71Å; F875-W934 HydrophobicContact CE2-CE3 3.71Å; F875-W934 AromaticContact CE2-CH2 3.34Å; F875-W934 HydrophobicContact CE2-CH2 3.34Å; F875-W934 AromaticContact CE2-CZ2 3.44Å; F875-W934 HydrophobicContact CE2-CZ2 3.44Å; F875-W934 VanDerWaalsContact CE2-CZ2 3.44Å; F875-W934 AromaticContact CE2-CZ3 3.49Å; F875-W934 HydrophobicContact CE2-CZ3 3.49Å; F875-W934 VanDerWaalsContact CE2-CZ3 3.49Å; F875-W934 AromaticContact CG-CD2 3.96Å; F875-W934 HydrophobicContact CG-CD2 3.96Å; F875-W934 HydrophobicContact CG-CE3 4.31Å; F875-W934 HydrophobicContact CG-CG 4.08Å; F875-W934 HydrophobicContact CZ-CE3 4.07Å; F875-W934 HydrophobicContact CZ-CH2 4.07Å; F875-W934 AromaticContact CZ-CZ3 3.82Å; F875-W934 HydrophobicContact CZ-CZ3 3.82Å; F875-N944 HydrophobicContact CD1-CB 3.95Å; F875-N944 WeakPolarHBondContact CD1-ND2 3.24Å; F875-N944 WeakPolarHBondContact CD1-OD1 3.45Å; F875-N944 HydrophobicContact CE1-CB 3.46Å; F875-N944 VanDerWaalsContact CE1-CB 3.46Å; F875-N944 HydrophobicContact CZ-CB 4.24Å |
| 876 | L | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -52.7 | -179.5 | -70.4 | -169.5 | 0 | 0 | 0 | 112.3 | F872 L873 S878 I879 Q880 L973 Y977 F978 | F872-L876 HydrophobicContact CD1-CD1 4Å; F872-L876 HydrophobicContact CD1-CG 4.37Å; F872-L876 HydrophobicContact CD2-CD2 4.47Å; F872-L876 HydrophobicContact CD2-CG 4.26Å; F872-L876 HydrophobicContact CE1-CD1 3.23Å; F872-L876 HydrophobicContact CE1-CG 3.92Å; F872-L876 HydrophobicContact CE2-CD1 3.97Å; F872-L876 HydrophobicContact CE2-CD2 3.74Å; F872-L876 HydrophobicContact CE2-CG 3.84Å; F872-L876 HydrophobicContact CZ-CD1 3.25Å; F872-L876 HydrophobicContact CZ-CD2 3.8Å; F872-L876 HydrophobicContact CZ-CG 3.66Å; F872-L876 PolarHBondContact O-N 2.98Å; L873-L876 PolarHBondContact O-N 3.37Å; L873-L876 VanDerWaalsContact O-N 3.09Å; L876-S878 PolarHBondContact O-N 3.39Å; L876-I879 HydrophobicContact CD2-CD1 4.34Å; L876-I879 WeakPolarHBondContact O-CG1 3.37Å; L876-I879 PolarHBondContact O-N 3.43Å; L876-Q880 PolarHBondContact O-N 3.03Å; L876-L973 HydrophobicContact CB-CD1 4.31Å; L876-L973 HydrophobicContact CB-CD2 4.37Å; L876-L973 HydrophobicContact CD1-CD1 4.38Å; L876-L973 HydrophobicContact CD1-CD2 4.2Å; L876-L973 HydrophobicContact CD1-CG 3.94Å; L876-L973 HydrophobicContact CD2-CD1 3.77Å; L876-L973 HydrophobicContact CD2-CG 4.22Å; L876-L973 HydrophobicContact CG-CD1 4.36Å; L876-L973 HydrophobicContact CG-CG 4.46Å; L876-Y977 HydrophobicContact CD1-CD2 4.17Å; L876-F978 HydrophobicContact CB-CE1 4.35Å; L876-F978 HydrophobicContact CB-CZ 3.85Å; L876-F978 HydrophobicContact CD1-CE1 4.44Å; L876-F978 HydrophobicContact CD1-CZ 4.33Å |
| 877 | D | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 177.9 | -70 | -100.6 | 0 | 0 | 0 | 111.5 | L873 Q880 T881 E907 H910 Y914 F978 | L873-D877 PolarHBondContact O-N 3.14Å; L873-D877 VanDerWaalsContact O-N 3.11Å; D877-Q880 PolarHBondContact O-N 3.19Å; D877-T881 WeakPolarHBondContact O-CB 3.18Å; D877-T881 PolarHBondContact O-N 3.28Å; D877-T881 PolarHBondContact O-OG1 3.04Å; D877-E907 VanDerWaalsContact OD1-OE2 3.07Å; D877-H910 HydrophobicContact CB-CB 4.41Å; D877-H910 WeakPolarHBondContact OD1-CB 3.44Å; D877-H910 IonicContact OD1-CG 2.69Å; D877-H910 IonicContact OD1-ND1 3.55Å; D877-H910 PolarHBondContact OD1-ND1 3.22Å; D877-Y914 HydrophobicContact CB-CE2 4.23Å; D877-Y914 WeakPolarHBondContact OD2-CE2 3.19Å; D877-Y914 PolarHBondContact OD2-OH 3.43Å; D877-Y914 VanDerWaalsContact OD2-OH 3.07Å; D877-F978 VanDerWaalsContact CG-CZ 3.5Å; D877-F978 WeakPolarHBondContact OD2-CE1 3.31Å; D877-F978 WeakPolarHBondContact OD2-CZ 3.25Å |
| 878 | S | 92.7 | Very high | 91.9 | Very high | 57 Ų | 57 | 19.9 Ų | 19.9 | 40% | 0.399 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | V874 F875 L876 A882 | V874-S878 VanDerWaalsContact O-CB 3.3Å; V874-S878 WeakPolarHBondContact O-CB 3.44Å; V874-S878 PolarHBondContact O-N 2.87Å; V874-S878 PolarHBondContact O-OG 3.5Å; F875-S878 WeakPolarHBondContact O-CB 3.35Å; F875-S878 PolarHBondContact O-N 3.37Å; L876-S878 PolarHBondContact O-N 3.39Å; S878-A882 PolarHBondContact O-N 3.17Å |
| 879 | I | 91.7 | Very high | 91.7 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.138 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75 | -32.2 | 178.1 | 64.8 | 169.4 | 0 | 0 | 0 | 112.1 | F875 L876 A882 N883 I947 Y951 | F875-I879 HydrophobicContact CD1-CD1 4.35Å; F875-I879 HydrophobicContact CD1-CG2 4.29Å; F875-I879 HydrophobicContact CD2-CG2 4.25Å; F875-I879 HydrophobicContact CE1-CD1 3.83Å; F875-I879 HydrophobicContact CE1-CG1 4.4Å; F875-I879 HydrophobicContact CE1-CG2 3.74Å; F875-I879 HydrophobicContact CE2-CG2 3.69Å; F875-I879 HydrophobicContact CZ-CD1 4.49Å; F875-I879 HydrophobicContact CZ-CG2 3.43Å; F875-I879 VanDerWaalsContact CZ-CG2 3.43Å; F875-I879 PolarHBondContact O-N 3.03Å; L876-I879 HydrophobicContact CD2-CD1 4.34Å; L876-I879 WeakPolarHBondContact O-CG1 3.37Å; L876-I879 PolarHBondContact O-N 3.43Å; I879-A882 PolarHBondContact O-N 3.15Å; I879-N883 VanDerWaalsContact O-CB 3.23Å; I879-N883 WeakPolarHBondContact O-CB 3.43Å; I879-N883 PolarHBondContact O-N 2.76Å; I879-I947 HydrophobicContact CD1-CG2 4.13Å; I879-Y951 HydrophobicContact CB-CE2 4.38Å; I879-Y951 HydrophobicContact CD1-CD2 4.45Å; I879-Y951 HydrophobicContact CD1-CE2 3.82Å; I879-Y951 HydrophobicContact CG1-CE2 4.09Å |
| 880 | Q | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -50.4 | 172.4 | -79.8 | -67.9 | 3.2 | 0 | 0 | 110.7 | L876 D877 A882 N883 L884 E907 Y951 N970 L973 E974 | L876-Q880 PolarHBondContact O-N 3.03Å; D877-Q880 PolarHBondContact O-N 3.19Å; Q880-A882 PolarHBondContact O-N 3.18Å; Q880-N883 PolarHBondContact O-N 3.32Å; Q880-L884 VanDerWaalsContact O-CG 3.26Å; Q880-L884 WeakPolarHBondContact O-CG 3.36Å; Q880-L884 PolarHBondContact O-N 2.77Å; Q880-E907 HydrophobicContact CB-CG 4.07Å; Q880-Y951 PolarHBondContact NE2-OH 2.81Å; Q880-Y951 VanDerWaalsContact NE2-OH 3.14Å; Q880-N970 PolarHBondContact NE2-OD1 2.81Å; Q880-N970 VanDerWaalsContact NE2-OD1 3.14Å; Q880-N970 PolarHBondContact OE1-ND2 2.68Å; Q880-L973 HydrophobicContact CG-CD1 4.21Å; Q880-L973 HydrophobicContact CG-CD2 4.04Å; Q880-E974 PolarHBondContact NE2-OE1 2.93Å |
| 881 | T | 93.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 25.9 Ų | 25.9 | 23% | 0.233 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52 | -41.9 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | D877 P885 E907 C908 | D877-T881 WeakPolarHBondContact O-CB 3.18Å; D877-T881 PolarHBondContact O-N 3.28Å; D877-T881 PolarHBondContact O-OG1 3.04Å; T881-P885 WeakPolarHBondContact O-CD 3.35Å; T881-E907 VanDerWaalsContact OG1-CB 3.26Å; T881-E907 WeakPolarHBondContact OG1-CB 3.24Å; T881-C908 VanDerWaalsContact CG2-SG 3.52Å |
| 882 | A | 92.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 26.7 Ų | 26.7 | 56% | 0.562 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -73.2 | -32.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S878 I879 Q880 N886 | S878-A882 PolarHBondContact O-N 3.17Å; I879-A882 PolarHBondContact O-N 3.15Å; Q880-A882 PolarHBondContact O-N 3.18Å; A882-N886 PolarHBondContact O-ND2 3.43Å |
| 883 | N | 94.2 | Very high | 91.5 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85 | -40.3 | -173.4 | -175.2 | 44.9 | 0 | 0 | 0 | 113.4 | I879 Q880 P885 N886 I887 Y951 | I879-N883 VanDerWaalsContact O-CB 3.23Å; I879-N883 WeakPolarHBondContact O-CB 3.43Å; I879-N883 PolarHBondContact O-N 2.76Å; Q880-N883 PolarHBondContact O-N 3.32Å; N883-P885 VanDerWaalsContact C-CD 3.46Å; N883-N886 WeakPolarHBondContact O-CA 3.5Å; N883-N886 WeakPolarHBondContact O-CB 3.5Å; N883-N886 PolarHBondContact O-N 3.23Å; N883-N886 PolarHBondContact O-ND2 3.22Å; N883-I887 WeakPolarHBondContact ND2-CD1 3.42Å; N883-I887 PolarHBondContact O-N 3.07Å; N883-Y951 HydrophobicContact CB-CD2 3.92Å; N883-Y951 HydrophobicContact CB-CE2 3.97Å; N883-Y951 HydrophobicContact CB-CG 4.31Å; N883-Y951 VanDerWaalsContact ND2-CD1 3.34Å; N883-Y951 WeakPolarHBondContact ND2-CD1 3.43Å; N883-Y951 WeakPolarHBondContact ND2-CE1 3.48Å |
| 884 | L | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.2 | -40.9 | -173.7 | -70.2 | 165.5 | 0 | 0 | 0 | 114.9 | Q880 N886 I887 G888 L900 Q903 A904 E907 F1015 | Q880-L884 VanDerWaalsContact O-CG 3.26Å; Q880-L884 WeakPolarHBondContact O-CG 3.36Å; Q880-L884 PolarHBondContact O-N 2.77Å; L884-N886 PolarHBondContact O-N 3.1Å; L884-I887 HydrophobicContact CD2-CD1 4.29Å; L884-I887 PolarHBondContact O-N 3.22Å; L884-G888 PolarHBondContact O-N 3.12Å; L884-L900 HydrophobicContact CD2-CD2 3.93Å; L884-Q903 HydrophobicContact CD1-CB 4.3Å; L884-Q903 HydrophobicContact CD1-CG 3.65Å; L884-Q903 HydrophobicContact CD2-CG 4.41Å; L884-A904 HydrophobicContact CB-CB 4.22Å; L884-A904 HydrophobicContact CD1-CB 3.9Å; L884-E907 HydrophobicContact CD1-CG 3.85Å; L884-F1015 HydrophobicContact CD2-CZ 3.91Å |
| 885 | P | 92.1 | Very high | 91.4 | Very high | 81 Ų | 81 | 26.3 Ų | 26.3 | 53% | 0.526 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.6 | -28.4 | 175.1 | -25.6 | 36 | 0 | 0 | 0 | 113.9 | T881 N883 A889 | T881-P885 WeakPolarHBondContact O-CD 3.35Å; N883-P885 VanDerWaalsContact C-CD 3.46Å; P885-A889 WeakPolarHBondContact O-CB 3.18Å; P885-A889 PolarHBondContact O-N 2.96Å |
| 886 | N | 90.6 | Very high | 91.6 | Very high | 46 Ų | 46 | 24.9 Ų | 24.9 | 25% | 0.246 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75.9 | -38 | 178.9 | -59.7 | -76.5 | 0 | 0 | 0 | 112.3 | A882 N883 L884 A889 Q955 | A882-N886 PolarHBondContact O-ND2 3.43Å; N883-N886 WeakPolarHBondContact O-CA 3.5Å; N883-N886 WeakPolarHBondContact O-CB 3.5Å; N883-N886 PolarHBondContact O-N 3.23Å; N883-N886 PolarHBondContact O-ND2 3.22Å; L884-N886 PolarHBondContact O-N 3.1Å; N886-A889 PolarHBondContact O-N 2.87Å; N886-Q955 PolarHBondContact OD1-NE2 3.05Å |
| 887 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 169.7 | -65.8 | 160.4 | 0 | 0 | 0 | 109 | N883 L884 A889 Y890 I891 L900 L963 V966 M967 N970 | N883-I887 WeakPolarHBondContact ND2-CD1 3.42Å; N883-I887 PolarHBondContact O-N 3.07Å; L884-I887 HydrophobicContact CD2-CD1 4.29Å; L884-I887 PolarHBondContact O-N 3.22Å; I887-A889 PolarHBondContact O-N 2.83Å; I887-Y890 WeakPolarHBondContact O-CA 3.24Å; I887-Y890 WeakPolarHBondContact O-CB 3.34Å; I887-Y890 PolarHBondContact O-N 3.49Å; I887-I891 HydrophobicContact CG2-CG1 3.95Å; I887-I891 PolarHBondContact O-N 3.4Å; I887-L900 HydrophobicContact CG2-CD1 3.94Å; I887-L900 HydrophobicContact CG2-CD2 4.31Å; I887-L963 HydrophobicContact CG2-CD1 4.34Å; I887-V966 HydrophobicContact CD1-CG1 3.77Å; I887-V966 HydrophobicContact CG1-CG1 3.94Å; I887-M967 HydrophobicContact CB-CE 4.32Å; I887-M967 HydrophobicContact CD1-CE 3.59Å; I887-M967 HydrophobicContact CG1-CE 3.74Å; I887-M967 HydrophobicContact CG2-CE 3.6Å; I887-M967 HydrophobicContact CG2-SD 4.38Å; I887-N970 WeakPolarHBondContact CD1-ND2 3.17Å |
| 888 | G | 90.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -29.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L884 Y890 N897 | L884-G888 PolarHBondContact O-N 3.12Å; G888-Y890 PolarHBondContact O-N 3.04Å; G888-N897 WeakPolarHBondContact CA-OD1 3.42Å; G888-N897 PolarHBondContact O-ND2 3.11Å; G888-N897 PolarHBondContact O-OD1 3.45Å |
| 889 | A | 85.5 | Confident | 91.9 | Very high | 86 Ų | 86 | 25.5 Ų | 25.5 | 71% | 0.711 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P885 N886 I887 | P885-A889 WeakPolarHBondContact O-CB 3.18Å; P885-A889 PolarHBondContact O-N 2.96Å; N886-A889 PolarHBondContact O-N 2.87Å; I887-A889 PolarHBondContact O-N 2.83Å |
| 890 | Y | 88.2 | Confident | 92.1 | Very high | 66 Ų | 66 | 24.5 Ų | 24.5 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -32.6 | 179.5 | -158.2 | -87.7 | 0 | 0 | 0 | 113 | I811 I887 G888 T892 F954 K958 D959 A960 L963 | I811-Y890 HydrophobicContact CB-CE1 4.26Å; I811-Y890 HydrophobicContact CG2-CD1 3.84Å; I811-Y890 HydrophobicContact CG2-CE1 3.93Å; I887-Y890 WeakPolarHBondContact O-CA 3.24Å; I887-Y890 WeakPolarHBondContact O-CB 3.34Å; I887-Y890 PolarHBondContact O-N 3.49Å; G888-Y890 PolarHBondContact O-N 3.04Å; Y890-T892 PolarHBondContact O-N 3.12Å; Y890-F954 HydrophobicContact CD1-CZ 4.44Å; Y890-F954 HydrophobicContact CD2-CE2 4.22Å; Y890-F954 AromaticContact CD2-CZ 3.92Å; Y890-F954 HydrophobicContact CD2-CZ 3.92Å; Y890-F954 HydrophobicContact CG-CE2 4.32Å; Y890-F954 AromaticContact CG-CZ 3.79Å; Y890-F954 HydrophobicContact CG-CZ 3.79Å; Y890-K958 HydrophobicContact CD2-CB 4.28Å; Y890-K958 HydrophobicContact CE2-CB 4.14Å; Y890-K958 WeakPolarHBondContact CE2-O 3.31Å; Y890-K958 PolarHBondContact OH-O 2.7Å; Y890-D959 WeakPolarHBondContact OH-CA 3.41Å; Y890-A960 PolarHBondContact OH-N 2.67Å; Y890-L963 HydrophobicContact CD1-CD1 4.38Å; Y890-L963 HydrophobicContact CD1-CD2 3.64Å; Y890-L963 HydrophobicContact CD1-CG 4.41Å; Y890-L963 HydrophobicContact CE1-CD2 3.99Å |
| 891 | I | 91.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -68.2 | 122.3 | 174.1 | -64.5 | -65.5 | 0 | 0 | 0 | 109.7 | M810 I811 I887 A893 V896 N897 L900 L963 | M810-I891 HydrophobicContact CG-CD1 3.86Å; M810-I891 CarbonylContact O-C 3.58Å; M810-I891 WeakPolarHBondContact O-CA 3.32Å; M810-I891 HydrophobicContact SD-CD1 3.96Å; M810-I891 HydrophobicContact SD-CG2 4.17Å; I811-I891 HydrophobicContact CG2-CD1 4.18Å; I887-I891 HydrophobicContact CG2-CG1 3.95Å; I887-I891 PolarHBondContact O-N 3.4Å; I891-A893 HydrophobicContact CG2-CB 4.11Å; I891-V896 HydrophobicContact CG2-CB 4.02Å; I891-V896 HydrophobicContact CG2-CG1 4.03Å; I891-N897 PolarHBondContact O-ND2 3.41Å; I891-L900 HydrophobicContact CB-CD1 4.42Å; I891-L900 HydrophobicContact CG1-CD1 4.17Å; I891-L963 HydrophobicContact CD1-CD2 4.28Å | ||
| 892 | T | 89.3 | Confident | 92.2 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | trans | -92.9 | -13 | -178.5 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | K794 R809 M810 I811 G812 G813 T815 Y890 N894 | K794-T892 HydrophobicContact CD-CG2 4.07Å; R809-T892 PolarHBondContact O-OG1 3.05Å; M810-T892 PolarHBondContact O-N 2.92Å; M810-T892 PolarHBondContact O-OG1 3.36Å; I811-T892 VanDerWaalsContact CA-OG1 3.31Å; I811-T892 WeakPolarHBondContact CA-OG1 3.44Å; G812-T892 PolarHBondContact N-OG1 3.4Å; G813-T892 PolarHBondContact N-OG1 2.84Å; T815-T892 WeakPolarHBondContact CG2-O 3.14Å; Y890-T892 PolarHBondContact O-N 3.12Å; T892-N894 PolarHBondContact O-N 3.21Å | ||
| 893 | A | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -75.3 | 102.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | R809 M810 Y826 I891 E895 V896 N897 | R809-A893 PolarHBondContact O-N 3.16Å; M810-A893 HydrophobicContact SD-CB 4.36Å; Y826-A893 HydrophobicContact CD2-CB 4.18Å; Y826-A893 HydrophobicContact CE2-CB 3.5Å; I891-A893 HydrophobicContact CG2-CB 4.11Å; A893-E895 VanDerWaalsContact C-N 3.28Å; A893-E895 PolarHBondContact O-N 3Å; A893-V896 HydrophobicContact CB-CB 4.03Å; A893-V896 HydrophobicContact CB-CG2 3.8Å; A893-V896 PolarHBondContact O-N 3.17Å; A893-N897 PolarHBondContact O-N 3.24Å; A893-N897 VanDerWaalsContact O-N 3.1Å | ||
| 894 | N | 89.1 | Confident | 92.5 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -31.8 | -175.2 | 59.8 | -80.6 | 0 | 0 | 0 | 112.8 | L818 N819 T892 V896 N897 L898 | L818-N894 PolarHBondContact O-ND2 3.48Å; N819-N894 PolarHBondContact OD1-ND2 3.16Å; T892-N894 PolarHBondContact O-N 3.21Å; N894-V896 VanDerWaalsContact C-N 3.34Å; N894-V896 PolarHBondContact O-N 2.92Å; N894-N897 WeakPolarHBondContact O-CB 3.47Å; N894-N897 PolarHBondContact O-N 2.93Å; N894-L898 PolarHBondContact O-N 3.2Å |
| 895 | E | 91.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -34 | 171.9 | 59.3 | -104.2 | -136.8 | 0 | 0 | 113.5 | R808 M824 K825 Y826 V829 A893 L898 | R808-E895 IonicContact CZ-OE2 3.07Å; R808-E895 IonicContact NH1-OE1 2.69Å; R808-E895 IonicContact NH1-OE2 3.18Å; R808-E895 PolarHBondContact NH1-OE2 3.22Å; M824-E895 HydrophobicContact CG-CB 4.3Å; M824-E895 HydrophobicContact SD-CB 4.26Å; K825-E895 WeakPolarHBondContact CB-OE1 3.48Å; K825-E895 PolarHBondContact N-OE1 3.33Å; Y826-E895 HydrophobicContact CD2-CG 3.91Å; V829-E895 HydrophobicContact CG1-CB 4.01Å; V829-E895 WeakPolarHBondContact CG1-O 3.03Å; V829-E895 HydrophobicContact CG2-CG 4.3Å; A893-E895 VanDerWaalsContact C-N 3.28Å; A893-E895 PolarHBondContact O-N 3Å; E895-L898 WeakPolarHBondContact O-CB 3.44Å; E895-L898 PolarHBondContact O-N 2.99Å |
| 896 | V | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.2 | -32.9 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | M810 Y826 W828 V829 I891 A893 N894 L898 C899 L900 L1014 I1018 | M810-V896 HydrophobicContact CE-CG2 4.11Å; M810-V896 HydrophobicContact SD-CB 4.4Å; M810-V896 HydrophobicContact SD-CG1 4.2Å; M810-V896 HydrophobicContact SD-CG2 3.99Å; Y826-V896 HydrophobicContact CD2-CG2 3.95Å; Y826-V896 HydrophobicContact CE2-CG2 4.34Å; W828-V896 HydrophobicContact CH2-CG2 4.23Å; W828-V896 HydrophobicContact CZ2-CG2 4.31Å; V829-V896 HydrophobicContact CG2-CG2 4.16Å; I891-V896 HydrophobicContact CG2-CB 4.02Å; I891-V896 HydrophobicContact CG2-CG1 4.03Å; A893-V896 HydrophobicContact CB-CB 4.03Å; A893-V896 HydrophobicContact CB-CG2 3.8Å; A893-V896 PolarHBondContact O-N 3.17Å; N894-V896 VanDerWaalsContact C-N 3.34Å; N894-V896 PolarHBondContact O-N 2.92Å; V896-L898 PolarHBondContact O-N 2.79Å; V896-C899 WeakPolarHBondContact O-CA 3.04Å; V896-C899 WeakPolarHBondContact O-CB 3.26Å; V896-C899 PolarHBondContact O-N 3.19Å; V896-L900 HydrophobicContact CG1-CD1 4.42Å; V896-L900 PolarHBondContact O-N 2.95Å; V896-L1014 HydrophobicContact CG1-CD1 4.39Å; V896-I1018 HydrophobicContact CG1-CD1 3.84Å; V896-I1018 HydrophobicContact CG1-CG1 4.04Å |
| 897 | N | 92.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 24.4 Ų | 24.4 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -27.2 | 172.6 | -79.9 | -30.9 | 0 | 0 | 0 | 113.1 | G888 I891 A893 N894 C899 S901 | G888-N897 WeakPolarHBondContact CA-OD1 3.42Å; G888-N897 PolarHBondContact O-ND2 3.11Å; G888-N897 PolarHBondContact O-OD1 3.45Å; I891-N897 PolarHBondContact O-ND2 3.41Å; A893-N897 PolarHBondContact O-N 3.24Å; A893-N897 VanDerWaalsContact O-N 3.1Å; N894-N897 WeakPolarHBondContact O-CB 3.47Å; N894-N897 PolarHBondContact O-N 2.93Å; N897-C899 VanDerWaalsContact C-N 3.35Å; N897-S901 WeakPolarHBondContact O-CB 3.49Å; N897-S901 PolarHBondContact O-N 3.21Å; N897-S901 PolarHBondContact O-OG 2.85Å |
| 898 | L | 93.4 | Very high | 93 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 169.4 | -65 | 171.3 | 0 | 0 | 0 | 111 | N819 F821 Y833 N894 E895 V896 S901 I902 | N819-L898 HydrophobicContact CB-CD1 4.25Å; F821-L898 HydrophobicContact CE1-CD1 4.49Å; F821-L898 HydrophobicContact CE2-CD1 3.83Å; F821-L898 HydrophobicContact CZ-CD1 3.67Å; Y833-L898 HydrophobicContact CD2-CB 4.21Å; Y833-L898 HydrophobicContact CE2-CB 4.15Å; N894-L898 PolarHBondContact O-N 3.2Å; E895-L898 WeakPolarHBondContact O-CB 3.44Å; E895-L898 PolarHBondContact O-N 2.99Å; V896-L898 PolarHBondContact O-N 2.79Å; L898-S901 PolarHBondContact O-N 3.08Å; L898-I902 WeakPolarHBondContact O-CG1 3.19Å; L898-I902 PolarHBondContact O-N 3.33Å; L898-I902 VanDerWaalsContact O-N 3.13Å |
| 899 | C | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | W832 V896 N897 S901 I902 Q903 L1014 | W832-C899 HydrophobicContact CD2-CB 4.01Å; W832-C899 HydrophobicContact CE3-CB 3.52Å; W832-C899 HydrophobicContact CH2-CB 3.94Å; W832-C899 WeakPolarHBondContact CH2-O 3.28Å; W832-C899 HydrophobicContact CZ2-CB 4.33Å; W832-C899 VanDerWaalsContact CZ3-CA 3.41Å; W832-C899 HydrophobicContact CZ3-CB 3.51Å; V896-C899 WeakPolarHBondContact O-CA 3.04Å; V896-C899 WeakPolarHBondContact O-CB 3.26Å; V896-C899 PolarHBondContact O-N 3.19Å; N897-C899 VanDerWaalsContact C-N 3.35Å; C899-S901 PolarHBondContact O-N 3.42Å; C899-I902 PolarHBondContact O-N 3.24Å; C899-Q903 PolarHBondContact O-N 2.87Å; C899-L1014 HydrophobicContact CB-CD1 3.65Å; C899-L1014 HydrophobicContact CB-CD2 3.83Å; C899-L1014 HydrophobicContact CB-CG 4.41Å |
| 900 | L | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -33.3 | 178.1 | -68.7 | 169.5 | 0 | 0 | 0 | 112.3 | L884 I887 I891 V896 A904 L1014 F1015 | L884-L900 HydrophobicContact CD2-CD2 3.93Å; I887-L900 HydrophobicContact CG2-CD1 3.94Å; I887-L900 HydrophobicContact CG2-CD2 4.31Å; I891-L900 HydrophobicContact CB-CD1 4.42Å; I891-L900 HydrophobicContact CG1-CD1 4.17Å; V896-L900 HydrophobicContact CG1-CD1 4.42Å; V896-L900 PolarHBondContact O-N 2.95Å; L900-A904 WeakPolarHBondContact O-CB 3.29Å; L900-A904 PolarHBondContact O-N 3.46Å; L900-L1014 HydrophobicContact CD2-CD2 3.9Å; L900-L1014 HydrophobicContact CG-CD2 4.36Å; L900-F1015 HydrophobicContact CD2-CE1 4.42Å |
| 901 | S | 94.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 20.9 Ų | 20.9 | 56% | 0.559 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -70.2 | -37.8 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | N897 L898 C899 F905 | N897-S901 WeakPolarHBondContact O-CB 3.49Å; N897-S901 PolarHBondContact O-N 3.21Å; N897-S901 PolarHBondContact O-OG 2.85Å; L898-S901 PolarHBondContact O-N 3.08Å; C899-S901 PolarHBondContact O-N 3.42Å; S901-F905 PolarHBondContact O-N 3.13Å |
| 902 | I | 95.1 | Very high | 94 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.2 | -44.5 | 175.4 | -70 | 170.7 | 0 | 0 | 0 | 110.6 | W832 Y833 A836 M837 L898 C899 A904 F905 Q906 | W832-I902 HydrophobicContact CH2-CB 4.07Å; W832-I902 HydrophobicContact CH2-CG2 4.01Å; W832-I902 HydrophobicContact CZ3-CB 3.95Å; W832-I902 HydrophobicContact CZ3-CD1 4.27Å; W832-I902 HydrophobicContact CZ3-CG2 4.03Å; Y833-I902 HydrophobicContact CD2-CD1 3.42Å; Y833-I902 VanDerWaalsContact CD2-CD1 3.42Å; Y833-I902 HydrophobicContact CE2-CD1 3.23Å; Y833-I902 HydrophobicContact CE2-CG1 4.43Å; Y833-I902 HydrophobicContact CG-CD1 4.15Å; A836-I902 HydrophobicContact CB-CG2 3.74Å; M837-I902 HydrophobicContact CG-CD1 4.13Å; M837-I902 HydrophobicContact SD-CD1 3.87Å; M837-I902 HydrophobicContact SD-CG1 4.4Å; L898-I902 WeakPolarHBondContact O-CG1 3.19Å; L898-I902 PolarHBondContact O-N 3.33Å; L898-I902 VanDerWaalsContact O-N 3.13Å; C899-I902 PolarHBondContact O-N 3.24Å; I902-A904 VanDerWaalsContact C-N 3.34Å; I902-A904 PolarHBondContact O-N 2.84Å; I902-F905 WeakPolarHBondContact O-CA 3.09Å; I902-F905 WeakPolarHBondContact O-CB 3.07Å; I902-F905 PolarHBondContact O-N 3.25Å; I902-F905 VanDerWaalsContact O-N 3.1Å; I902-Q906 HydrophobicContact CG2-CG 4.45Å; I902-Q906 PolarHBondContact O-N 3.39Å |
| 903 | Q | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.3 | -52.1 | 174.4 | 175.4 | 172.7 | -1.8 | 0 | 0 | 109.7 | L884 C899 F905 Q906 E907 E974 H1011 F1015 | L884-Q903 HydrophobicContact CD1-CB 4.3Å; L884-Q903 HydrophobicContact CD1-CG 3.65Å; L884-Q903 HydrophobicContact CD2-CG 4.41Å; C899-Q903 PolarHBondContact O-N 2.87Å; Q903-F905 PolarHBondContact O-N 3.26Å; Q903-F905 VanDerWaalsContact O-N 3.07Å; Q903-Q906 CarbonylContact O-C 3.6Å; Q903-Q906 WeakPolarHBondContact O-CA 3.05Å; Q903-Q906 WeakPolarHBondContact O-CB 3.33Å; Q903-Q906 PolarHBondContact O-N 2.84Å; Q903-E907 HydrophobicContact CG-CG 4.09Å; Q903-E907 PolarHBondContact NE2-OE1 3.44Å; Q903-E907 VanDerWaalsContact O-CG 3.31Å; Q903-E907 WeakPolarHBondContact O-CG 3.45Å; Q903-E907 PolarHBondContact O-N 2.67Å; Q903-E974 PolarHBondContact NE2-OE1 2.99Å; Q903-E974 VanDerWaalsContact NE2-OE1 3.11Å; Q903-H1011 HydrophobicContact CG-CB 4.44Å; Q903-H1011 VanDerWaalsContact CG-CD2 3.5Å; Q903-H1011 WeakPolarHBondContact CG-CD2 3.5Å; Q903-F1015 VanDerWaalsContact OE1-CZ 3.31Å |
| 904 | A | 96 | Very high | 94.2 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.4 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L884 L900 I902 C908 | L884-A904 HydrophobicContact CB-CB 4.22Å; L884-A904 HydrophobicContact CD1-CB 3.9Å; L900-A904 WeakPolarHBondContact O-CB 3.29Å; L900-A904 PolarHBondContact O-N 3.46Å; I902-A904 VanDerWaalsContact C-N 3.34Å; I902-A904 PolarHBondContact O-N 2.84Å; A904-C908 PolarHBondContact O-N 3.41Å; A904-C908 PolarHBondContact O-SG 3.44Å |
| 905 | F | 95.3 | Very high | 94.2 | Very high | 108 Ų | 108 | 25.9 Ų | 25.9 | 47% | 0.474 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -70.6 | -43.2 | 171.2 | 172.2 | -100.8 | 0 | 0 | 0 | 112.7 | F840 S901 I902 Q903 C908 V909 | F840-F905 HydrophobicContact CD2-CE1 4.2Å; F840-F905 HydrophobicContact CE2-CE1 4.26Å; F840-F905 HydrophobicContact CE2-CZ 4.11Å; S901-F905 PolarHBondContact O-N 3.13Å; I902-F905 WeakPolarHBondContact O-CA 3.09Å; I902-F905 WeakPolarHBondContact O-CB 3.07Å; I902-F905 PolarHBondContact O-N 3.25Å; I902-F905 VanDerWaalsContact O-N 3.1Å; Q903-F905 PolarHBondContact O-N 3.26Å; Q903-F905 VanDerWaalsContact O-N 3.07Å; F905-C908 WeakPolarHBondContact O-CB 3.25Å; F905-C908 PolarHBondContact O-N 2.95Å; F905-V909 HydrophobicContact CE1-CG2 4Å; F905-V909 HydrophobicContact CE2-CG2 4.36Å; F905-V909 HydrophobicContact CZ-CG2 3.9Å; F905-V909 PolarHBondContact O-N 3.44Å; F905-V909 VanDerWaalsContact O-N 3.08Å |
| 906 | Q | 95.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | -71.6 | 170 | -68.2 | 0 | 0 | 111.5 | I902 Q903 C908 V909 H910 D1007 H1011 | I902-Q906 HydrophobicContact CG2-CG 4.45Å; I902-Q906 PolarHBondContact O-N 3.39Å; Q903-Q906 CarbonylContact O-C 3.6Å; Q903-Q906 WeakPolarHBondContact O-CA 3.05Å; Q903-Q906 WeakPolarHBondContact O-CB 3.33Å; Q903-Q906 PolarHBondContact O-N 2.84Å; Q906-C908 PolarHBondContact O-N 3.36Å; Q906-V909 CarbonylContact O-C 3.55Å; Q906-V909 WeakPolarHBondContact O-CA 3.39Å; Q906-V909 WeakPolarHBondContact O-CB 3.36Å; Q906-V909 PolarHBondContact O-N 2.81Å; Q906-H910 PolarHBondContact O-CD2 3.09Å; Q906-H910 VanDerWaalsContact O-CG 3.24Å; Q906-H910 PolarHBondContact O-N 3.12Å; Q906-D1007 VanDerWaalsContact NE2-CG 3.3Å; Q906-D1007 PolarHBondContact NE2-OD1 2.74Å; Q906-H1011 PolarHBondContact OE1-NE2 3.05Å |
| 907 | E | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -35.1 | 173.8 | -58.1 | -68.3 | 164 | 0 | 0 | 112.4 | D877 Q880 T881 L884 Q903 H910 S911 H1011 | D877-E907 VanDerWaalsContact OD1-OE2 3.07Å; Q880-E907 HydrophobicContact CB-CG 4.07Å; T881-E907 VanDerWaalsContact OG1-CB 3.26Å; T881-E907 WeakPolarHBondContact OG1-CB 3.24Å; L884-E907 HydrophobicContact CD1-CG 3.85Å; Q903-E907 HydrophobicContact CG-CG 4.09Å; Q903-E907 PolarHBondContact NE2-OE1 3.44Å; Q903-E907 VanDerWaalsContact O-CG 3.31Å; Q903-E907 WeakPolarHBondContact O-CG 3.45Å; Q903-E907 PolarHBondContact O-N 2.67Å; E907-H910 PolarHBondContact O-N 3.04Å; E907-S911 WeakPolarHBondContact O-CB 3.17Å; E907-S911 PolarHBondContact O-N 3.12Å; E907-S911 PolarHBondContact O-OG 3.34Å; E907-H1011 IonicContact OE1-CE1 3Å; E907-H1011 PolarHBondContact OE1-CE1 3.41Å; E907-H1011 VanDerWaalsContact OE1-CE1 3.3Å; E907-H1011 IonicContact OE1-ND1 3.5Å; E907-H1011 PolarHBondContact OE1-ND1 2.93Å; E907-H1011 VanDerWaalsContact OE1-ND1 3.12Å |
| 908 | C | 94.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 26.7 Ų | 26.7 | 40% | 0.399 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 174.1 | -69 | 0 | 0 | 0 | 0 | 111.5 | T881 A904 F905 Q906 H910 S911 Q912 | T881-C908 VanDerWaalsContact CG2-SG 3.52Å; A904-C908 PolarHBondContact O-N 3.41Å; A904-C908 PolarHBondContact O-SG 3.44Å; F905-C908 WeakPolarHBondContact O-CB 3.25Å; F905-C908 PolarHBondContact O-N 2.95Å; Q906-C908 PolarHBondContact O-N 3.36Å; C908-H910 VanDerWaalsContact C-N 3.34Å; C908-S911 PolarHBondContact O-N 3.48Å; C908-Q912 WeakPolarHBondContact O-CB 3.37Å; C908-Q912 PolarHBondContact O-N 2.97Å |
| 909 | V | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 173.6 | 175.8 | 0 | 0 | 0 | 0 | 110 | W841 F905 Q906 Q912 S913 | W841-V909 HydrophobicContact CD2-CG1 4.41Å; W841-V909 HydrophobicContact CZ2-CG1 4.17Å; F905-V909 HydrophobicContact CE1-CG2 4Å; F905-V909 HydrophobicContact CE2-CG2 4.36Å; F905-V909 HydrophobicContact CZ-CG2 3.9Å; F905-V909 PolarHBondContact O-N 3.44Å; F905-V909 VanDerWaalsContact O-N 3.08Å; Q906-V909 CarbonylContact O-C 3.55Å; Q906-V909 WeakPolarHBondContact O-CA 3.39Å; Q906-V909 WeakPolarHBondContact O-CB 3.36Å; Q906-V909 PolarHBondContact O-N 2.81Å; V909-Q912 WeakPolarHBondContact O-CB 3.42Å; V909-Q912 PolarHBondContact O-N 3.34Å; V909-S913 WeakPolarHBondContact O-CB 3.49Å; V909-S913 PolarHBondContact O-N 2.95Å; V909-S913 PolarHBondContact O-OG 2.84Å |
| 910 | H | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.9 | -57.7 | 173.4 | 0 | 0 | 0 | 111.4 | D877 Q906 E907 C908 Q912 S913 Y914 D1007 E1008 H1011 | D877-H910 HydrophobicContact CB-CB 4.41Å; D877-H910 WeakPolarHBondContact OD1-CB 3.44Å; D877-H910 IonicContact OD1-CG 2.69Å; D877-H910 IonicContact OD1-ND1 3.55Å; D877-H910 PolarHBondContact OD1-ND1 3.22Å; Q906-H910 PolarHBondContact O-CD2 3.09Å; Q906-H910 VanDerWaalsContact O-CG 3.24Å; Q906-H910 PolarHBondContact O-N 3.12Å; E907-H910 PolarHBondContact O-N 3.04Å; C908-H910 VanDerWaalsContact C-N 3.34Å; H910-Q912 VanDerWaalsContact C-N 3.3Å; H910-Q912 PolarHBondContact O-N 3.38Å; H910-S913 WeakPolarHBondContact O-CA 3.22Å; H910-S913 WeakPolarHBondContact O-CB 3.46Å; H910-S913 PolarHBondContact O-N 3.09Å; H910-Y914 HydrophobicContact CB-CE2 4.01Å; H910-Y914 WeakPolarHBondContact O-CD2 3.3Å; H910-Y914 WeakPolarHBondContact O-CE2 3.45Å; H910-Y914 PolarHBondContact O-N 3.13Å; H910-D1007 WeakPolarHBondContact NE2-CB 3.32Å; H910-D1007 IonicContact NE2-OD2 3.72Å; H910-E1008 IonicContact CE1-OE1 3.62Å; H910-E1008 PolarHBondContact CE1-OE1 3.45Å; H910-E1008 IonicContact ND1-OE1 3.43Å; H910-E1008 PolarHBondContact ND1-OE1 2.9Å; H910-H1011 AromaticContact CE1-CE1 3.62Å |
| 911 | S | 92.2 | Very high | 92.9 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | E907 C908 S913 S915 | E907-S911 WeakPolarHBondContact O-CB 3.17Å; E907-S911 PolarHBondContact O-N 3.12Å; E907-S911 PolarHBondContact O-OG 3.34Å; C908-S911 PolarHBondContact O-N 3.48Å; S911-S913 VanDerWaalsContact C-N 3.35Å; S911-S915 PolarHBondContact O-N 2.91Å; S911-S915 PolarHBondContact O-OG 3.5Å |
| 912 | Q | 93.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 40% | 0.397 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 172 | -176 | -173.6 | -2.4 | 0 | 0 | 111.3 | P843 E844 C908 V909 H910 S915 Y916 | P843-Q912 HydrophobicContact CG-CB 4.45Å; P843-Q912 HydrophobicContact CG-CG 3.87Å; E844-Q912 PolarHBondContact OE1-NE2 3.45Å; C908-Q912 WeakPolarHBondContact O-CB 3.37Å; C908-Q912 PolarHBondContact O-N 2.97Å; V909-Q912 WeakPolarHBondContact O-CB 3.42Å; V909-Q912 PolarHBondContact O-N 3.34Å; H910-Q912 VanDerWaalsContact C-N 3.3Å; H910-Q912 PolarHBondContact O-N 3.38Å; Q912-S915 CarbonylContact O-C 3.55Å; Q912-S915 WeakPolarHBondContact O-CB 3.42Å; Q912-S915 PolarHBondContact O-N 3.28Å; Q912-Y916 WeakPolarHBondContact O-CB 3.43Å; Q912-Y916 PolarHBondContact O-N 2.99Å |
| 913 | S | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | -178.6 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | W841 V909 H910 S911 S915 Y916 M917 E1000 | W841-S913 WeakPolarHBondContact CH2-OG 3.43Å; V909-S913 WeakPolarHBondContact O-CB 3.49Å; V909-S913 PolarHBondContact O-N 2.95Å; V909-S913 PolarHBondContact O-OG 2.84Å; H910-S913 WeakPolarHBondContact O-CA 3.22Å; H910-S913 WeakPolarHBondContact O-CB 3.46Å; H910-S913 PolarHBondContact O-N 3.09Å; S911-S913 VanDerWaalsContact C-N 3.35Å; S913-S915 VanDerWaalsContact C-N 3.27Å; S913-S915 PolarHBondContact O-N 3.49Å; S913-Y916 WeakPolarHBondContact O-CB 3.44Å; S913-Y916 PolarHBondContact O-N 2.88Å; S913-Y916 VanDerWaalsContact O-N 3.14Å; S913-M917 PolarHBondContact O-N 3.34Å; S913-E1000 VanDerWaalsContact C-OE1 3.27Å; S913-E1000 WeakPolarHBondContact CA-OE1 3.42Å; S913-E1000 WeakPolarHBondContact CB-OE1 3.28Å |
| 914 | Y | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.4 | -54.1 | -58.5 | 0 | 0 | 0 | 112.9 | L870 L873 V874 D877 H910 M917 L918 I1001 I1004 | L870-Y914 HydrophobicContact CD1-CD1 3.35Å; L870-Y914 HydrophobicContact CD1-CE1 4.17Å; L870-Y914 HydrophobicContact CD1-CG 3.98Å; L873-Y914 HydrophobicContact CB-CD1 4.38Å; L873-Y914 HydrophobicContact CB-CE1 3.77Å; L873-Y914 HydrophobicContact CB-CE2 4.21Å; L873-Y914 HydrophobicContact CD1-CE1 3.86Å; L873-Y914 HydrophobicContact CG-CE1 4.44Å; V874-Y914 HydrophobicContact CG2-CD2 4.03Å; V874-Y914 HydrophobicContact CG2-CG 3.83Å; D877-Y914 HydrophobicContact CB-CE2 4.23Å; D877-Y914 WeakPolarHBondContact OD2-CE2 3.19Å; D877-Y914 PolarHBondContact OD2-OH 3.43Å; D877-Y914 VanDerWaalsContact OD2-OH 3.07Å; H910-Y914 HydrophobicContact CB-CE2 4.01Å; H910-Y914 WeakPolarHBondContact O-CD2 3.3Å; H910-Y914 WeakPolarHBondContact O-CE2 3.45Å; H910-Y914 PolarHBondContact O-N 3.13Å; Y914-M917 HydrophobicContact CD1-CE 3.42Å; Y914-M917 VanDerWaalsContact CD1-CE 3.42Å; Y914-M917 HydrophobicContact CE1-CE 4.13Å; Y914-M917 HydrophobicContact CG-CE 4.34Å; Y914-M917 PolarHBondContact O-N 2.86Å; Y914-L918 WeakPolarHBondContact O-CG 3.49Å; Y914-L918 PolarHBondContact O-N 3.37Å; Y914-I1001 HydrophobicContact CE1-CD1 4.1Å; Y914-I1004 HydrophobicContact CD1-CD1 4.46Å; Y914-I1004 HydrophobicContact CE1-CD1 3.75Å |
| 915 | S | 88.7 | Confident | 90.4 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | S911 Q912 S913 L918 D919 | S911-S915 PolarHBondContact O-N 2.91Å; S911-S915 PolarHBondContact O-OG 3.5Å; Q912-S915 CarbonylContact O-C 3.55Å; Q912-S915 WeakPolarHBondContact O-CB 3.42Å; Q912-S915 PolarHBondContact O-N 3.28Å; S913-S915 VanDerWaalsContact C-N 3.27Å; S913-S915 PolarHBondContact O-N 3.49Å; S915-L918 PolarHBondContact O-N 3.21Å; S915-D919 VanDerWaalsContact O-CB 3.27Å; S915-D919 WeakPolarHBondContact O-CB 3.38Å; S915-D919 PolarHBondContact O-N 2.9Å |
| 916 | Y | 91.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.4 | 175.5 | -113.2 | 0 | 0 | 0 | 111.9 | P843 E844 I846 L848 Q912 S913 T920 | P843-Y916 HydrophobicContact CB-CD1 3.79Å; P843-Y916 HydrophobicContact CB-CG 4.07Å; P843-Y916 VanDerWaalsContact O-CE1 3.3Å; P843-Y916 WeakPolarHBondContact O-CE1 3.47Å; E844-Y916 HydrophobicContact CG-CD2 4.47Å; E844-Y916 HydrophobicContact CG-CE2 4.32Å; I846-Y916 PolarHBondContact O-OH 3.01Å; L848-Y916 HydrophobicContact CD1-CD1 3.68Å; L848-Y916 HydrophobicContact CD1-CE1 3.42Å; L848-Y916 VanDerWaalsContact CD1-CE1 3.42Å; L848-Y916 HydrophobicContact CG-CD1 4.46Å; L848-Y916 HydrophobicContact CG-CE1 3.79Å; Q912-Y916 WeakPolarHBondContact O-CB 3.43Å; Q912-Y916 PolarHBondContact O-N 2.99Å; S913-Y916 WeakPolarHBondContact O-CB 3.44Å; S913-Y916 PolarHBondContact O-N 2.88Å; S913-Y916 VanDerWaalsContact O-N 3.14Å; Y916-T920 VanDerWaalsContact O-CB 3.27Å; Y916-T920 WeakPolarHBondContact O-CB 3.46Å; Y916-T920 PolarHBondContact O-N 2.95Å; Y916-T920 VanDerWaalsContact O-N 3.08Å; Y916-T920 PolarHBondContact O-OG1 2.85Å |
| 917 | M | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -54.6 | 173.3 | -73.9 | -166.4 | -75.1 | 0 | 0 | 111.4 | L848 L870 S913 Y914 D919 T920 I921 E1000 | L848-M917 HydrophobicContact CD1-CB 4.47Å; L848-M917 HydrophobicContact CD1-CG 4.11Å; L870-M917 HydrophobicContact CD1-CE 3.8Å; S913-M917 PolarHBondContact O-N 3.34Å; Y914-M917 HydrophobicContact CD1-CE 3.42Å; Y914-M917 VanDerWaalsContact CD1-CE 3.42Å; Y914-M917 HydrophobicContact CE1-CE 4.13Å; Y914-M917 HydrophobicContact CG-CE 4.34Å; Y914-M917 PolarHBondContact O-N 2.86Å; M917-D919 PolarHBondContact O-N 3.49Å; M917-T920 PolarHBondContact O-N 2.84Å; M917-I921 WeakPolarHBondContact O-CD1 3.4Å; M917-I921 WeakPolarHBondContact O-CG1 3.5Å; M917-I921 PolarHBondContact O-N 2.91Å; M917-E1000 WeakPolarHBondContact CG-OE2 3.25Å; M917-E1000 HydrophobicContact SD-CB 4.37Å; M917-E1000 HydrophobicContact SD-CG 4.46Å |
| 918 | L | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | -177.4 | -71.7 | 172.9 | 0 | 0 | 0 | 112.8 | L870 Y914 S915 T920 C922 R927 I930 L931 | L870-L918 HydrophobicContact CD2-CD2 3.5Å; L870-L918 VanDerWaalsContact CD2-CD2 3.5Å; L870-L918 HydrophobicContact CD2-CG 3.81Å; L870-L918 HydrophobicContact CG-CD2 4.35Å; L870-L918 HydrophobicContact CG-CG 4.46Å; Y914-L918 WeakPolarHBondContact O-CG 3.49Å; Y914-L918 PolarHBondContact O-N 3.37Å; S915-L918 PolarHBondContact O-N 3.21Å; L918-T920 PolarHBondContact O-N 3.16Å; L918-C922 VanDerWaalsContact O-CB 3.31Å; L918-C922 WeakPolarHBondContact O-CB 3.45Å; L918-C922 PolarHBondContact O-N 3.17Å; L918-R927 HydrophobicContact CB-CB 4.44Å; L918-R927 HydrophobicContact CB-CG 3.89Å; L918-R927 HydrophobicContact CD1-CG 4.22Å; L918-I930 HydrophobicContact CD1-CG2 4.29Å; L918-I930 HydrophobicContact CD2-CB 4.28Å; L918-I930 HydrophobicContact CD2-CD1 3.64Å; L918-I930 HydrophobicContact CD2-CG2 3.99Å; L918-L931 HydrophobicContact CD1-CD2 3.79Å; L918-L931 HydrophobicContact CD1-CG 4.06Å |
| 919 | D | 87.8 | Confident | 88.7 | Confident | 91 Ų | 91 | 46 Ų | 46 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.4 | -26.6 | 179.1 | -78.6 | -15.5 | 0 | 0 | 0 | 112.4 | S915 M917 R927 | S915-D919 VanDerWaalsContact O-CB 3.27Å; S915-D919 WeakPolarHBondContact O-CB 3.38Å; S915-D919 PolarHBondContact O-N 2.9Å; M917-D919 PolarHBondContact O-N 3.49Å; D919-R927 WeakPolarHBondContact OD1-CD 3.32Å; D919-R927 IonicContact OD1-CZ 2.78Å; D919-R927 IonicContact OD1-NE 3.63Å; D919-R927 IonicContact OD1-NH1 2.9Å; D919-R927 PolarHBondContact OD1-NH1 2.68Å; D919-R927 IonicContact OD2-NH1 3.88Å |
| 920 | T | 88 | Confident | 88.4 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 31% | 0.307 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -86.1 | -40 | -179.6 | -56 | 0 | 0 | 0 | 0 | 112.3 | L848 V852 Y916 M917 L918 | L848-T920 HydrophobicContact CB-CG2 3.8Å; L848-T920 HydrophobicContact CD1-CG2 4.1Å; V852-T920 HydrophobicContact CG2-CG2 3.74Å; V852-T920 WeakPolarHBondContact CG2-O 3.49Å; Y916-T920 VanDerWaalsContact O-CB 3.27Å; Y916-T920 WeakPolarHBondContact O-CB 3.46Å; Y916-T920 PolarHBondContact O-N 2.95Å; Y916-T920 VanDerWaalsContact O-N 3.08Å; Y916-T920 PolarHBondContact O-OG1 2.85Å; M917-T920 PolarHBondContact O-N 2.84Å; L918-T920 PolarHBondContact O-N 3.16Å |
| 921 | I | 88.2 | Confident | 87.9 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -99.6 | -26.9 | -171.1 | 73.4 | -161.9 | 0 | 0 | 0 | 114.4 | D851 V852 Y855 Y866 M917 M994 | D851-I921 HydrophobicContact CB-CG2 4.01Å; V852-I921 HydrophobicContact CG2-CG2 4.4Å; Y855-I921 HydrophobicContact CD1-CB 4.5Å; Y855-I921 HydrophobicContact CD2-CD1 4.39Å; Y855-I921 HydrophobicContact CG-CB 4.37Å; Y855-I921 HydrophobicContact CG-CG1 4.43Å; Y866-I921 HydrophobicContact CE1-CD1 3.6Å; Y866-I921 WeakPolarHBondContact OH-CD1 3.24Å; M917-I921 WeakPolarHBondContact O-CD1 3.4Å; M917-I921 WeakPolarHBondContact O-CG1 3.5Å; M917-I921 PolarHBondContact O-N 2.91Å; I921-M994 HydrophobicContact CD1-CE 4.28Å |
| 922 | C | 84.2 | Confident | 87.6 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -110 | 156.3 | -172.9 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | Y855 L918 E926 | Y855-C922 VanDerWaalsContact CZ-SG 3.57Å; Y855-C922 PolarHBondContact OH-SG 3.32Å; L918-C922 VanDerWaalsContact O-CB 3.31Å; L918-C922 WeakPolarHBondContact O-CB 3.45Å; L918-C922 PolarHBondContact O-N 3.17Å; C922-E926 HydrophobicContact CB-CB 4.05Å |
| 923 | S | 83.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | trans | -69.2 | 157.2 | 164 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | V925 E926 R927 | S923-V925 PolarHBondContact O-N 3.3Å; S923-V925 VanDerWaalsContact O-N 3.09Å; S923-E926 VanDerWaalsContact CB-OE2 3.27Å; S923-E926 WeakPolarHBondContact CB-OE2 3.48Å; S923-E926 PolarHBondContact N-OE2 3.29Å; S923-E926 PolarHBondContact O-N 3.45Å; S923-E926 VanDerWaalsContact OG-CD 3.3Å; S923-E926 WeakPolarHBondContact OG-CG 3.48Å; S923-E926 PolarHBondContact OG-N 3.16Å; S923-E926 PolarHBondContact OG-OE2 2.82Å; S923-R927 WeakPolarHBondContact O-CB 3.38Å; S923-R927 PolarHBondContact O-N 2.92Å | ||
| 924 | P | 79.5 | Confident | 86.7 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.4 | -27.1 | 178.4 | -27.8 | 35.5 | 0 | 0 | 0 | 114.9 | N928 | P924-N928 PolarHBondContact O-N 3.38Å |
| 925 | V | 83 | Confident | 86.2 | Confident | 99 Ų | 99 | 59 Ų | 59 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73 | -53.5 | 177 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | S923 R927 N928 D929 | S923-V925 PolarHBondContact O-N 3.3Å; S923-V925 VanDerWaalsContact O-N 3.09Å; V925-R927 VanDerWaalsContact C-N 3.28Å; V925-R927 PolarHBondContact O-N 2.88Å; V925-N928 PolarHBondContact O-N 3.25Å; V925-N928 VanDerWaalsContact O-N 3.11Å; V925-D929 PolarHBondContact O-N 3.32Å |
| 926 | E | 84.5 | Confident | 86 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.8 | -69.8 | 163.2 | 139.3 | 0 | 0 | 111.4 | C922 S923 N928 D929 I930 | C922-E926 HydrophobicContact CB-CB 4.05Å; S923-E926 VanDerWaalsContact CB-OE2 3.27Å; S923-E926 WeakPolarHBondContact CB-OE2 3.48Å; S923-E926 PolarHBondContact N-OE2 3.29Å; S923-E926 PolarHBondContact O-N 3.45Å; S923-E926 VanDerWaalsContact OG-CD 3.3Å; S923-E926 WeakPolarHBondContact OG-CG 3.48Å; S923-E926 PolarHBondContact OG-N 3.16Å; S923-E926 PolarHBondContact OG-OE2 2.82Å; E926-N928 PolarHBondContact O-N 3.49Å; E926-D929 PolarHBondContact O-N 3.3Å; E926-I930 VanDerWaalsContact O-CG1 3.26Å; E926-I930 WeakPolarHBondContact O-CG1 3.4Å; E926-I930 PolarHBondContact O-N 3.42Å |
| 927 | R | 86.9 | Confident | 85.7 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.1 | -51.1 | 174.3 | 175.8 | -171 | 79.6 | 170 | 7.4 | 111.9 | L918 D919 S923 V925 D929 I930 L931 | L918-R927 HydrophobicContact CB-CB 4.44Å; L918-R927 HydrophobicContact CB-CG 3.89Å; L918-R927 HydrophobicContact CD1-CG 4.22Å; D919-R927 WeakPolarHBondContact OD1-CD 3.32Å; D919-R927 IonicContact OD1-CZ 2.78Å; D919-R927 IonicContact OD1-NE 3.63Å; D919-R927 IonicContact OD1-NH1 2.9Å; D919-R927 PolarHBondContact OD1-NH1 2.68Å; D919-R927 IonicContact OD2-NH1 3.88Å; S923-R927 WeakPolarHBondContact O-CB 3.38Å; S923-R927 PolarHBondContact O-N 2.92Å; V925-R927 VanDerWaalsContact C-N 3.28Å; V925-R927 PolarHBondContact O-N 2.88Å; R927-D929 VanDerWaalsContact C-N 3.31Å; R927-D929 PolarHBondContact O-N 3.48Å; R927-I930 PolarHBondContact O-N 2.99Å; R927-L931 HydrophobicContact CG-CD1 3.9Å; R927-L931 HydrophobicContact CG-CG 4.3Å; R927-L931 WeakPolarHBondContact O-CB 3.39Å; R927-L931 VanDerWaalsContact O-CG 3.26Å; R927-L931 WeakPolarHBondContact O-CG 3.4Å; R927-L931 PolarHBondContact O-N 3.21Å |
| 928 | N | 86.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | -177.9 | -74.2 | -11.3 | 0 | 0 | 0 | 111.7 | P924 V925 E926 L931 Y932 | P924-N928 PolarHBondContact O-N 3.38Å; V925-N928 PolarHBondContact O-N 3.25Å; V925-N928 VanDerWaalsContact O-N 3.11Å; E926-N928 PolarHBondContact O-N 3.49Å; N928-L931 PolarHBondContact O-N 3.31Å; N928-Y932 VanDerWaalsContact O-CD2 3.29Å; N928-Y932 WeakPolarHBondContact O-CD2 3.39Å; N928-Y932 PolarHBondContact O-N 2.75Å |
| 929 | D | 87.1 | Confident | 85.3 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 176.1 | -69.1 | -18.6 | 0 | 0 | 0 | 110.7 | V925 E926 R927 Q933 | V925-D929 PolarHBondContact O-N 3.32Å; E926-D929 PolarHBondContact O-N 3.3Å; R927-D929 VanDerWaalsContact C-N 3.31Å; R927-D929 PolarHBondContact O-N 3.48Å; D929-Q933 WeakPolarHBondContact O-CB 3.32Å; D929-Q933 PolarHBondContact O-N 3.45Å; D929-Q933 VanDerWaalsContact O-N 3.14Å |
| 930 | I | 87.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 174.8 | -65.4 | 165.8 | 0 | 0 | 0 | 110.6 | D867 S871 L918 E926 R927 Y932 Q933 | D867-I930 HydrophobicContact CB-CD1 4.11Å; D867-I930 HydrophobicContact CB-CG1 3.92Å; D867-I930 WeakPolarHBondContact O-CG2 3.25Å; S871-I930 WeakPolarHBondContact CB-O 3.38Å; S871-I930 PolarHBondContact OG-O 3.44Å; L918-I930 HydrophobicContact CD1-CG2 4.29Å; L918-I930 HydrophobicContact CD2-CB 4.28Å; L918-I930 HydrophobicContact CD2-CD1 3.64Å; L918-I930 HydrophobicContact CD2-CG2 3.99Å; E926-I930 VanDerWaalsContact O-CG1 3.26Å; E926-I930 WeakPolarHBondContact O-CG1 3.4Å; E926-I930 PolarHBondContact O-N 3.42Å; R927-I930 PolarHBondContact O-N 2.99Å; I930-Y932 PolarHBondContact O-N 3.09Å; I930-Y932 VanDerWaalsContact O-N 3.13Å; I930-Q933 PolarHBondContact O-N 3Å |
| 931 | L | 85.8 | Confident | 85 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -30.8 | -176 | -75.4 | 175.1 | 0 | 0 | 0 | 114.1 | V874 L918 R927 N928 W934 | V874-L931 HydrophobicContact CB-CD2 4.49Å; V874-L931 HydrophobicContact CG1-CD2 3.72Å; V874-L931 HydrophobicContact CG2-CD2 4.26Å; L918-L931 HydrophobicContact CD1-CD2 3.79Å; L918-L931 HydrophobicContact CD1-CG 4.06Å; R927-L931 HydrophobicContact CG-CD1 3.9Å; R927-L931 HydrophobicContact CG-CG 4.3Å; R927-L931 WeakPolarHBondContact O-CB 3.39Å; R927-L931 VanDerWaalsContact O-CG 3.26Å; R927-L931 WeakPolarHBondContact O-CG 3.4Å; R927-L931 PolarHBondContact O-N 3.21Å; N928-L931 PolarHBondContact O-N 3.31Å; L931-W934 PolarHBondContact O-NE1 3.28Å |
| 932 | Y | 85.8 | Confident | 84.9 | Confident | 137 Ų | 137 | 75.1 Ų | 75.1 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -106.8 | -2.6 | -176.4 | -66.5 | -61 | 0 | 0 | 0 | 114.6 | N928 I930 W934 K935 | N928-Y932 VanDerWaalsContact O-CD2 3.29Å; N928-Y932 WeakPolarHBondContact O-CD2 3.39Å; N928-Y932 PolarHBondContact O-N 2.75Å; I930-Y932 PolarHBondContact O-N 3.09Å; I930-Y932 VanDerWaalsContact O-N 3.13Å; Y932-W934 PolarHBondContact O-N 3.1Å; Y932-K935 WeakPolarHBondContact O-CB 3.49Å; Y932-K935 PolarHBondContact O-N 2.89Å; Y932-K935 VanDerWaalsContact O-N 3.11Å |
| 933 | Q | 85.8 | Confident | 85.1 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -57.5 | -32.5 | -178.1 | -169.9 | 173.9 | 24.4 | 0 | 0 | 113.3 | D929 I930 K935 T936 D937 | D929-Q933 WeakPolarHBondContact O-CB 3.32Å; D929-Q933 PolarHBondContact O-N 3.45Å; D929-Q933 VanDerWaalsContact O-N 3.14Å; I930-Q933 PolarHBondContact O-N 3Å; Q933-K935 PolarHBondContact O-N 3.12Å; Q933-T936 PolarHBondContact O-N 3.48Å; Q933-T936 PolarHBondContact O-OG1 3.33Å; Q933-T936 VanDerWaalsContact O-OG1 3.13Å; Q933-D937 HydrophobicContact CG-CB 4.45Å; Q933-D937 PolarHBondContact O-N 3.28Å |
| 934 | W | 82.4 | Confident | 85.3 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53.8 | -24 | 177.2 | 73.2 | -100.6 | 0 | 0 | 0 | 114.4 | S871 F875 L931 Y932 L940 | S871-W934 PolarHBondContact OG-N 2.74Å; F875-W934 HydrophobicContact CB-CB 4.36Å; F875-W934 HydrophobicContact CB-CD2 4.46Å; F875-W934 HydrophobicContact CB-CG 4.07Å; F875-W934 AromaticContact CD2-CD2 3.48Å; F875-W934 HydrophobicContact CD2-CD2 3.48Å; F875-W934 VanDerWaalsContact CD2-CD2 3.48Å; F875-W934 AromaticContact CD2-CE2 3.33Å; F875-W934 AromaticContact CD2-CE3 3.84Å; F875-W934 HydrophobicContact CD2-CE3 3.84Å; F875-W934 AromaticContact CD2-CG 3.98Å; F875-W934 HydrophobicContact CD2-CG 3.98Å; F875-W934 AromaticContact CD2-CH2 3.96Å; F875-W934 HydrophobicContact CD2-CH2 3.96Å; F875-W934 AromaticContact CD2-CZ2 3.59Å; F875-W934 HydrophobicContact CD2-CZ2 3.59Å; F875-W934 HydrophobicContact CD2-CZ3 4.07Å; F875-W934 AromaticContact CD2-NE1 3.73Å; F875-W934 AromaticContact CE2-CD2 3.82Å; F875-W934 HydrophobicContact CE2-CD2 3.82Å; F875-W934 AromaticContact CE2-CE2 3.67Å; F875-W934 AromaticContact CE2-CE3 3.71Å; F875-W934 HydrophobicContact CE2-CE3 3.71Å; F875-W934 AromaticContact CE2-CH2 3.34Å; F875-W934 HydrophobicContact CE2-CH2 3.34Å; F875-W934 AromaticContact CE2-CZ2 3.44Å; F875-W934 HydrophobicContact CE2-CZ2 3.44Å; F875-W934 VanDerWaalsContact CE2-CZ2 3.44Å; F875-W934 AromaticContact CE2-CZ3 3.49Å; F875-W934 HydrophobicContact CE2-CZ3 3.49Å; F875-W934 VanDerWaalsContact CE2-CZ3 3.49Å; F875-W934 AromaticContact CG-CD2 3.96Å; F875-W934 HydrophobicContact CG-CD2 3.96Å; F875-W934 HydrophobicContact CG-CE3 4.31Å; F875-W934 HydrophobicContact CG-CG 4.08Å; F875-W934 HydrophobicContact CZ-CE3 4.07Å; F875-W934 HydrophobicContact CZ-CH2 4.07Å; F875-W934 AromaticContact CZ-CZ3 3.82Å; F875-W934 HydrophobicContact CZ-CZ3 3.82Å; L931-W934 PolarHBondContact O-NE1 3.28Å; Y932-W934 PolarHBondContact O-N 3.1Å; W934-L940 HydrophobicContact CB-CD1 4.44Å |
| 935 | K | 81.7 | Confident | 85.8 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 47% | 0.47 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -77.1 | -25.7 | 178.9 | -66.4 | -177.8 | 177.5 | 175.9 | 0 | 113.5 | Y932 Q933 | Y932-K935 WeakPolarHBondContact O-CB 3.49Å; Y932-K935 PolarHBondContact O-N 2.89Å; Y932-K935 VanDerWaalsContact O-N 3.11Å; Q933-K935 PolarHBondContact O-N 3.12Å |
| 936 | T | 84.5 | Confident | 86.2 | Confident | 118 Ų | 118 | 68 Ų | 68 | 72% | 0.724 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -23.4 | -165.5 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | Q933 | Q933-T936 PolarHBondContact O-N 3.48Å; Q933-T936 PolarHBondContact O-OG1 3.33Å; Q933-T936 VanDerWaalsContact O-OG1 3.13Å |
| 937 | D | 86.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | trans | -79.1 | 122.4 | 174.2 | -174.9 | -75.1 | 0 | 0 | 0 | 110 | Q933 H939 L940 L941 Y1055 | Q933-D937 HydrophobicContact CG-CB 4.45Å; Q933-D937 PolarHBondContact O-N 3.28Å; D937-H939 VanDerWaalsContact C-N 3.34Å; D937-H939 PolarHBondContact O-N 3.24Å; D937-H939 PolarHBondContact OD1-N 3.29Å; D937-H939 VanDerWaalsContact OD1-N 3.11Å; D937-L940 HydrophobicContact CB-CB 4.01Å; D937-L940 HydrophobicContact CB-CD1 3.91Å; D937-L940 HydrophobicContact CB-CG 4Å; D937-L940 PolarHBondContact O-N 3.47Å; D937-L940 PolarHBondContact OD1-N 3.36Å; D937-L941 WeakPolarHBondContact O-CB 3.48Å; D937-L941 PolarHBondContact O-N 2.83Å; D937-Y1055 VanDerWaalsContact OD2-CE1 3.23Å; D937-Y1055 WeakPolarHBondContact OD2-CE1 3.29Å; D937-Y1055 VanDerWaalsContact OD2-CZ 3.32Å; D937-Y1055 PolarHBondContact OD2-OH 2.99Å | ||
| 938 | E | 85.9 | Confident | 86.8 | Confident | 165 Ų | 165 | 61.5 Ų | 61.5 | 77% | 0.771 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.1 | -38 | -172.7 | -172.1 | 178.3 | 174.2 | 0 | 0 | 112.6 | R942 | E938-R942 WeakPolarHBondContact O-CB 3.25Å; E938-R942 PolarHBondContact O-N 3.35Å; E938-R942 VanDerWaalsContact O-N 3.15Å |
| 939 | H | 85.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 178.8 | -72.9 | -91.3 | 0 | 0 | 0 | 111.5 | D937 W1052 Y1055 | D937-H939 VanDerWaalsContact C-N 3.34Å; D937-H939 PolarHBondContact O-N 3.24Å; D937-H939 PolarHBondContact OD1-N 3.29Å; D937-H939 VanDerWaalsContact OD1-N 3.11Å; H939-W1052 HydrophobicContact CB-CE3 3.84Å; H939-W1052 HydrophobicContact CB-CZ3 4.14Å; H939-Y1055 HydrophobicContact CB-CD1 3.88Å; H939-Y1055 HydrophobicContact CB-CE1 4.18Å; H939-Y1055 AromaticContact CD2-CD1 3.75Å; H939-Y1055 AromaticContact CD2-CD2 3.91Å; H939-Y1055 AromaticContact CD2-CE1 3.99Å; H939-Y1055 AromaticContact CD2-CG 3.69Å; H939-Y1055 AromaticContact CG-CD1 3.86Å; H939-Y1055 AromaticContact NE2-CG 4Å |
| 940 | L | 82.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 173.8 | -72.1 | -178 | 0 | 0 | 0 | 111.9 | F872 W934 D937 R942 R943 N944 W1052 | F872-L940 HydrophobicContact CB-CD2 3.61Å; F872-L940 HydrophobicContact CD2-CD2 3.73Å; F872-L940 HydrophobicContact CG-CD2 3.92Å; W934-L940 HydrophobicContact CB-CD1 4.44Å; D937-L940 HydrophobicContact CB-CB 4.01Å; D937-L940 HydrophobicContact CB-CD1 3.91Å; D937-L940 HydrophobicContact CB-CG 4Å; D937-L940 PolarHBondContact O-N 3.47Å; D937-L940 PolarHBondContact OD1-N 3.36Å; L940-R942 VanDerWaalsContact C-N 3.31Å; L940-R942 PolarHBondContact O-N 3.45Å; L940-R943 PolarHBondContact O-N 2.88Å; L940-N944 WeakPolarHBondContact O-CB 3.4Å; L940-N944 VanDerWaalsContact O-CG 3.26Å; L940-N944 PolarHBondContact O-N 2.8Å; L940-N944 PolarHBondContact O-ND2 3.1Å; L940-W1052 HydrophobicContact CD1-CH2 4Å; L940-W1052 HydrophobicContact CD1-CZ3 4.44Å; L940-W1052 HydrophobicContact CD2-CD2 4.33Å; L940-W1052 HydrophobicContact CD2-CE3 4Å; L940-W1052 HydrophobicContact CD2-CH2 3.12Å; L940-W1052 HydrophobicContact CD2-CZ2 3.52Å; L940-W1052 HydrophobicContact CD2-CZ3 3.41Å; L940-W1052 VanDerWaalsContact CD2-CZ3 3.41Å; L940-W1052 HydrophobicContact CG-CE3 4.42Å; L940-W1052 HydrophobicContact CG-CH2 3.48Å; L940-W1052 VanDerWaalsContact CG-CH2 3.48Å; L940-W1052 HydrophobicContact CG-CZ2 4.35Å; L940-W1052 HydrophobicContact CG-CZ3 3.52Å |
| 941 | L | 86.7 | Confident | 87.9 | Confident | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | -176.5 | -176.9 | 60.9 | 0 | 0 | 0 | 111.1 | D937 R943 N944 T945 | D937-L941 WeakPolarHBondContact O-CB 3.48Å; D937-L941 PolarHBondContact O-N 2.83Å; L941-R943 PolarHBondContact O-N 3.47Å; L941-N944 PolarHBondContact O-N 3.12Å; L941-T945 WeakPolarHBondContact O-CB 3.33Å; L941-T945 PolarHBondContact O-N 2.74Å; L941-T945 PolarHBondContact O-OG1 3.34Å |
| 942 | R | 87.3 | Confident | 88.3 | Confident | 154 Ų | 154 | 60.5 Ų | 60.5 | 58% | 0.581 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59 | -44.3 | 179.1 | -177 | 174 | 172.5 | 176.9 | -4 | 113 | E938 L940 T945 F946 E1044 | E938-R942 WeakPolarHBondContact O-CB 3.25Å; E938-R942 PolarHBondContact O-N 3.35Å; E938-R942 VanDerWaalsContact O-N 3.15Å; L940-R942 VanDerWaalsContact C-N 3.31Å; L940-R942 PolarHBondContact O-N 3.45Å; R942-T945 PolarHBondContact O-N 2.85Å; R942-F946 PolarHBondContact O-N 3.42Å; R942-E1044 IonicContact NH2-OE1 3.79Å; R942-E1044 PolarHBondContact NH2-OE1 2.92Å; R942-E1044 VanDerWaalsContact NH2-OE1 3.16Å |
| 943 | R | 86.5 | Confident | 88.6 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 177.7 | -78.2 | 164 | 66.9 | -132 | 10.3 | 112.1 | F872 L940 L941 F946 I947 Y977 Q1048 E1049 W1052 | F872-R943 HydrophobicContact CE2-CB 4.24Å; L940-R943 PolarHBondContact O-N 2.88Å; L941-R943 PolarHBondContact O-N 3.47Å; R943-F946 PolarHBondContact O-N 3.36Å; R943-I947 PolarHBondContact O-N 2.99Å; R943-Y977 HydrophobicContact CB-CE2 4.38Å; R943-Q1048 VanDerWaalsContact CA-OE1 3.24Å; R943-Q1048 HydrophobicContact CG-CB 3.79Å; R943-Q1048 VanDerWaalsContact CG-OE1 3.27Å; R943-E1049 IonicContact CZ-OE1 2.72Å; R943-E1049 IonicContact CZ-OE2 2.61Å; R943-E1049 IonicContact NE-OE2 2.76Å; R943-E1049 PolarHBondContact NE-OE2 3.47Å; R943-E1049 VanDerWaalsContact NE-OE2 3.11Å; R943-E1049 IonicContact NH2-OE1 3.93Å; R943-E1049 PolarHBondContact NH2-OE1 3.2Å; R943-E1049 VanDerWaalsContact NH2-OE1 3.1Å; R943-E1049 IonicContact NH2-OE2 2.92Å; R943-E1049 PolarHBondContact NH2-OE2 2.95Å; R943-W1052 VanDerWaalsContact CZ-CD1 3.4Å; R943-W1052 VanDerWaalsContact CZ-CG 3.43Å; R943-W1052 VanDerWaalsContact NH2-CD1 3.35Å |
| 944 | N | 87.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.4 | -71.7 | -8.9 | 0 | 0 | 0 | 111.9 | F872 F875 L940 L941 G948 | F872-N944 WeakPolarHBondContact CD2-OD1 3.47Å; F872-N944 WeakPolarHBondContact CE2-OD1 3.5Å; F875-N944 HydrophobicContact CD1-CB 3.95Å; F875-N944 WeakPolarHBondContact CD1-ND2 3.24Å; F875-N944 WeakPolarHBondContact CD1-OD1 3.45Å; F875-N944 HydrophobicContact CE1-CB 3.46Å; F875-N944 VanDerWaalsContact CE1-CB 3.46Å; F875-N944 HydrophobicContact CZ-CB 4.24Å; L940-N944 WeakPolarHBondContact O-CB 3.4Å; L940-N944 VanDerWaalsContact O-CG 3.26Å; L940-N944 PolarHBondContact O-N 2.8Å; L940-N944 PolarHBondContact O-ND2 3.1Å; L941-N944 PolarHBondContact O-N 3.12Å; N944-G948 WeakPolarHBondContact O-CA 3.42Å; N944-G948 PolarHBondContact O-N 2.79Å |
| 945 | T | 89.7 | Confident | 89 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.1 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | L941 R942 I947 G948 D949 | L941-T945 WeakPolarHBondContact O-CB 3.33Å; L941-T945 PolarHBondContact O-N 2.74Å; L941-T945 PolarHBondContact O-OG1 3.34Å; R942-T945 PolarHBondContact O-N 2.85Å; T945-I947 VanDerWaalsContact C-N 3.33Å; T945-I947 PolarHBondContact O-N 3.42Å; T945-G948 PolarHBondContact O-N 3.47Å; T945-D949 WeakPolarHBondContact CG2-OD2 3.32Å; T945-D949 VanDerWaalsContact O-CB 3.23Å; T945-D949 WeakPolarHBondContact O-CB 3.5Å; T945-D949 PolarHBondContact O-N 3.41Å |
| 946 | F | 92.8 | Very high | 89 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 178.2 | 173.7 | -114.6 | 0 | 0 | 0 | 112.9 | R942 R943 C950 I972 M1041 E1044 | R942-F946 PolarHBondContact O-N 3.42Å; R943-F946 PolarHBondContact O-N 3.36Å; F946-C950 PolarHBondContact O-SG 2.85Å; F946-C950 VanDerWaalsContact O-SG 3.36Å; F946-I972 HydrophobicContact CE1-CD1 4.39Å; F946-M1041 HydrophobicContact CZ-CB 4.16Å; F946-M1041 HydrophobicContact CZ-CG 4.38Å; F946-E1044 HydrophobicContact CD2-CG 4.2Å; F946-E1044 HydrophobicContact CE2-CB 4.25Å; F946-E1044 HydrophobicContact CE2-CG 3.95Å; F946-E1044 HydrophobicContact CZ-CB 4.13Å; F946-E1044 HydrophobicContact CZ-CG 4.21Å |
| 947 | I | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.3 | -48.6 | 176.5 | -59.6 | -61.1 | 0 | 0 | 0 | 111.4 | I879 R943 T945 D949 C950 Y951 A969 L973 Y977 | I879-I947 HydrophobicContact CD1-CG2 4.13Å; R943-I947 PolarHBondContact O-N 2.99Å; T945-I947 VanDerWaalsContact C-N 3.33Å; T945-I947 PolarHBondContact O-N 3.42Å; I947-D949 VanDerWaalsContact C-N 3.29Å; I947-D949 PolarHBondContact O-N 3.19Å; I947-C950 WeakPolarHBondContact O-CB 3.32Å; I947-C950 PolarHBondContact O-N 3.12Å; I947-Y951 HydrophobicContact CG2-CD2 4.39Å; I947-Y951 HydrophobicContact CG2-CE1 3.84Å; I947-Y951 HydrophobicContact CG2-CE2 3.67Å; I947-Y951 WeakPolarHBondContact CG2-OH 3.28Å; I947-Y951 PolarHBondContact O-N 3.24Å; I947-A969 HydrophobicContact CD1-CB 3.95Å; I947-A969 HydrophobicContact CG2-CB 4.44Å; I947-L973 HydrophobicContact CG2-CD1 3.92Å; I947-Y977 HydrophobicContact CD1-CE2 4.13Å; I947-Y977 HydrophobicContact CG1-CD2 4.41Å; I947-Y977 HydrophobicContact CG1-CE2 3.74Å |
| 948 | G | 91.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -35.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N944 T945 C950 Y951 N952 | N944-G948 WeakPolarHBondContact O-CA 3.42Å; N944-G948 PolarHBondContact O-N 2.79Å; T945-G948 PolarHBondContact O-N 3.47Å; G948-C950 VanDerWaalsContact C-N 3.32Å; G948-C950 PolarHBondContact O-N 3.36Å; G948-Y951 PolarHBondContact O-N 3.02Å; G948-N952 PolarHBondContact O-N 2.91Å; G948-N952 PolarHBondContact O-ND2 2.87Å |
| 949 | D | 94.3 | Very high | 88.6 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 176.2 | -74.7 | -8.8 | 0 | 0 | 0 | 111.8 | T945 I947 Y951 N952 E953 | T945-D949 WeakPolarHBondContact CG2-OD2 3.32Å; T945-D949 VanDerWaalsContact O-CB 3.23Å; T945-D949 WeakPolarHBondContact O-CB 3.5Å; T945-D949 PolarHBondContact O-N 3.41Å; I947-D949 VanDerWaalsContact C-N 3.29Å; I947-D949 PolarHBondContact O-N 3.19Å; D949-Y951 VanDerWaalsContact C-N 3.3Å; D949-Y951 PolarHBondContact O-N 3.24Å; D949-N952 PolarHBondContact O-N 3.45Å; D949-E953 VanDerWaalsContact O-CB 3.26Å; D949-E953 WeakPolarHBondContact O-CB 3.47Å; D949-E953 PolarHBondContact O-N 2.78Å |
| 950 | C | 94.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | F946 I947 G948 F954 V966 A969 | F946-C950 PolarHBondContact O-SG 2.85Å; F946-C950 VanDerWaalsContact O-SG 3.36Å; I947-C950 WeakPolarHBondContact O-CB 3.32Å; I947-C950 PolarHBondContact O-N 3.12Å; G948-C950 VanDerWaalsContact C-N 3.32Å; G948-C950 PolarHBondContact O-N 3.36Å; C950-F954 PolarHBondContact O-N 3.28Å; C950-V966 VanDerWaalsContact O-CG2 3.32Å; C950-V966 WeakPolarHBondContact O-CG2 3.01Å; C950-A969 HydrophobicContact CB-CB 4.04Å |
| 951 | Y | 95.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 57 Ų | 57 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 177 | -59.2 | -14.2 | 0 | 0 | 0 | 112.1 | I879 Q880 N883 I947 G948 D949 E953 F954 Q955 V966 A969 N970 | I879-Y951 HydrophobicContact CB-CE2 4.38Å; I879-Y951 HydrophobicContact CD1-CD2 4.45Å; I879-Y951 HydrophobicContact CD1-CE2 3.82Å; I879-Y951 HydrophobicContact CG1-CE2 4.09Å; Q880-Y951 PolarHBondContact NE2-OH 2.81Å; Q880-Y951 VanDerWaalsContact NE2-OH 3.14Å; N883-Y951 HydrophobicContact CB-CD2 3.92Å; N883-Y951 HydrophobicContact CB-CE2 3.97Å; N883-Y951 HydrophobicContact CB-CG 4.31Å; N883-Y951 VanDerWaalsContact ND2-CD1 3.34Å; N883-Y951 WeakPolarHBondContact ND2-CD1 3.43Å; N883-Y951 WeakPolarHBondContact ND2-CE1 3.48Å; I947-Y951 HydrophobicContact CG2-CD2 4.39Å; I947-Y951 HydrophobicContact CG2-CE1 3.84Å; I947-Y951 HydrophobicContact CG2-CE2 3.67Å; I947-Y951 WeakPolarHBondContact CG2-OH 3.28Å; I947-Y951 PolarHBondContact O-N 3.24Å; G948-Y951 PolarHBondContact O-N 3.02Å; D949-Y951 VanDerWaalsContact C-N 3.3Å; D949-Y951 PolarHBondContact O-N 3.24Å; Y951-E953 VanDerWaalsContact C-N 3.34Å; Y951-F954 PolarHBondContact O-N 2.8Å; Y951-Q955 PolarHBondContact O-N 3.26Å; Y951-V966 HydrophobicContact CD1-CB 4.49Å; Y951-V966 HydrophobicContact CD1-CG1 3.84Å; Y951-V966 HydrophobicContact CD1-CG2 4.12Å; Y951-V966 HydrophobicContact CE1-CG1 3.92Å; Y951-A969 HydrophobicContact CE1-CB 4.27Å; Y951-N970 WeakPolarHBondContact CE1-OD1 3.47Å; Y951-N970 PolarHBondContact OH-OD1 2.9Å |
| 952 | N | 93.7 | Very high | 89.4 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.2 | -73 | -34.1 | 0 | 0 | 0 | 111.3 | G948 D949 F954 Q955 E956 | G948-N952 PolarHBondContact O-N 2.91Å; G948-N952 PolarHBondContact O-ND2 2.87Å; D949-N952 PolarHBondContact O-N 3.45Å; N952-F954 VanDerWaalsContact C-N 3.28Å; N952-F954 PolarHBondContact O-N 3.38Å; N952-Q955 WeakPolarHBondContact O-CB 3.28Å; N952-Q955 PolarHBondContact O-N 3.19Å; N952-E956 WeakPolarHBondContact O-CG 3.36Å; N952-E956 PolarHBondContact O-N 2.88Å |
| 953 | E | 92 | Very high | 89.7 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 176.8 | -174.3 | -178.4 | 170.8 | 0 | 0 | 112.1 | D949 Y951 E956 R957 T962 R965 | D949-E953 VanDerWaalsContact O-CB 3.26Å; D949-E953 WeakPolarHBondContact O-CB 3.47Å; D949-E953 PolarHBondContact O-N 2.78Å; Y951-E953 VanDerWaalsContact C-N 3.34Å; E953-E956 PolarHBondContact O-N 3.41Å; E953-R957 PolarHBondContact O-N 3.25Å; E953-R957 IonicContact OE1-CZ 3.4Å; E953-R957 IonicContact OE1-NH2 3.3Å; E953-R957 PolarHBondContact OE1-NH2 3.17Å; E953-T962 HydrophobicContact CG-CG2 3.96Å; E953-R965 IonicContact OE1-CZ 2.86Å; E953-R965 IonicContact OE1-NH1 3.97Å; E953-R965 PolarHBondContact OE1-NH1 3.06Å; E953-R965 IonicContact OE2-CZ 3.82Å; E953-R965 IonicContact OE2-NH1 2.76Å; E953-R965 PolarHBondContact OE2-NH1 3.42Å; E953-R965 IonicContact OE2-NH2 3.08Å; E953-R965 PolarHBondContact OE2-NH2 3.18Å |
| 954 | F | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.6 | -31.2 | 174.9 | -179 | -122.3 | 0 | 0 | 0 | 113.1 | Y890 C950 Y951 N952 R957 K958 T962 L963 V966 | Y890-F954 HydrophobicContact CD1-CZ 4.44Å; Y890-F954 HydrophobicContact CD2-CE2 4.22Å; Y890-F954 AromaticContact CD2-CZ 3.92Å; Y890-F954 HydrophobicContact CD2-CZ 3.92Å; Y890-F954 HydrophobicContact CG-CE2 4.32Å; Y890-F954 AromaticContact CG-CZ 3.79Å; Y890-F954 HydrophobicContact CG-CZ 3.79Å; C950-F954 PolarHBondContact O-N 3.28Å; Y951-F954 PolarHBondContact O-N 2.8Å; N952-F954 VanDerWaalsContact C-N 3.28Å; N952-F954 PolarHBondContact O-N 3.38Å; F954-R957 CarbonylContact C-O 3.55Å; F954-R957 WeakPolarHBondContact CA-O 3.36Å; F954-R957 CarbonylContact O-C 3.56Å; F954-K958 WeakPolarHBondContact O-CG 3.44Å; F954-K958 PolarHBondContact O-N 2.86Å; F954-T962 WeakPolarHBondContact CD2-OG1 3.49Å; F954-L963 HydrophobicContact CD2-CB 4.26Å; F954-L963 HydrophobicContact CE1-CD1 4.08Å; F954-L963 HydrophobicContact CE2-CB 3.71Å; F954-L963 HydrophobicContact CE2-CD1 4.08Å; F954-L963 HydrophobicContact CZ-CB 4.18Å; F954-L963 HydrophobicContact CZ-CD1 3.64Å; F954-V966 HydrophobicContact CB-CG2 3.5Å; F954-V966 HydrophobicContact CD1-CG2 4.27Å; F954-V966 HydrophobicContact CG-CG2 3.99Å |
| 955 | Q | 84.7 | Confident | 90.5 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 171.6 | -73.6 | -59 | -36.8 | 0 | 0 | 112.3 | N886 Y951 N952 K958 | N886-Q955 PolarHBondContact OD1-NE2 3.05Å; Y951-Q955 PolarHBondContact O-N 3.26Å; N952-Q955 WeakPolarHBondContact O-CB 3.28Å; N952-Q955 PolarHBondContact O-N 3.19Å; Q955-K958 VanDerWaalsContact OE1-CE 3.31Å |
| 956 | E | 81.8 | Confident | 90.9 | Very high | 159 Ų | 159 | 48 Ų | 48 | 74% | 0.743 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -70.3 | -37.8 | 177.7 | -69.5 | -176.9 | 171.5 | 0 | 0 | 111.8 | N952 E953 | N952-E956 WeakPolarHBondContact O-CG 3.36Å; N952-E956 PolarHBondContact O-N 2.88Å; E953-E956 PolarHBondContact O-N 3.41Å |
| 957 | R | 81.7 | Confident | 91 | Very high | 132 Ų | 132 | 46.2 Ų | 46.2 | 50% | 0.498 | 23% | 0.226 | S | C | . | . | trans | -130.4 | 101.6 | 178.8 | -61 | -171.8 | -63.1 | -177 | 1.3 | 109.6 | E953 F954 D959 T962 | E953-R957 PolarHBondContact O-N 3.25Å; E953-R957 IonicContact OE1-CZ 3.4Å; E953-R957 IonicContact OE1-NH2 3.3Å; E953-R957 PolarHBondContact OE1-NH2 3.17Å; F954-R957 CarbonylContact C-O 3.55Å; F954-R957 WeakPolarHBondContact CA-O 3.36Å; F954-R957 CarbonylContact O-C 3.56Å; R957-D959 VanDerWaalsContact C-N 3.29Å; R957-D959 PolarHBondContact O-N 3.33Å; R957-T962 HydrophobicContact CB-CG2 4.13Å; R957-T962 PolarHBondContact O-OG1 3.34Å | ||
| 958 | K | 81.6 | Confident | 91.2 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | trans | -84.6 | 72.8 | 177.6 | -66.9 | -173.3 | -178.6 | -166.5 | 0 | 110.6 | Y890 F954 Q955 | Y890-K958 HydrophobicContact CD2-CB 4.28Å; Y890-K958 HydrophobicContact CE2-CB 4.14Å; Y890-K958 WeakPolarHBondContact CE2-O 3.31Å; Y890-K958 PolarHBondContact OH-O 2.7Å; F954-K958 WeakPolarHBondContact O-CG 3.44Å; F954-K958 PolarHBondContact O-N 2.86Å; Q955-K958 VanDerWaalsContact OE1-CE 3.31Å | ||
| 959 | D | 85.2 | Confident | 91.4 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -126.5 | 168.1 | 179.1 | 66.2 | 29.7 | 0 | 0 | 0 | 112.9 | Y890 R957 P961 T962 L963 | Y890-D959 WeakPolarHBondContact OH-CA 3.41Å; R957-D959 VanDerWaalsContact C-N 3.29Å; R957-D959 PolarHBondContact O-N 3.33Å; D959-P961 WeakPolarHBondContact OD1-CD 3.41Å; D959-T962 PolarHBondContact N-OG1 3.38Å; D959-T962 PolarHBondContact O-OG1 3.24Å; D959-T962 WeakPolarHBondContact OD1-CB 3.06Å; D959-T962 VanDerWaalsContact OD1-CG2 3.31Å; D959-T962 WeakPolarHBondContact OD1-CG2 3.49Å; D959-T962 PolarHBondContact OD1-N 2.76Å; D959-T962 PolarHBondContact OD1-OG1 2.87Å; D959-L963 WeakPolarHBondContact O-CB 3.32Å; D959-L963 PolarHBondContact O-N 3.26Å |
| 960 | A | 88.6 | Confident | 91.5 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I811 Y890 L963 L964 L1029 | I811-A960 HydrophobicContact CD1-CB 3.61Å; Y890-A960 PolarHBondContact OH-N 2.67Å; A960-L963 PolarHBondContact O-N 2.86Å; A960-L964 PolarHBondContact O-N 3.27Å; A960-L1029 HydrophobicContact CB-CD1 3.87Å; A960-L1029 HydrophobicContact CB-CD2 3.91Å |
| 961 | P | 90 | Very high | 91.6 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 48% | 0.481 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 174 | -27.2 | 35.9 | 0 | 0 | 0 | 114.1 | D959 L964 R965 L1029 | D959-P961 WeakPolarHBondContact OD1-CD 3.41Å; P961-L964 PolarHBondContact O-N 2.9Å; P961-R965 PolarHBondContact O-N 3.05Å; P961-L1029 HydrophobicContact CG-CD2 4.01Å |
| 962 | T | 92.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | E953 F954 R957 D959 L964 R965 V966 | E953-T962 HydrophobicContact CG-CG2 3.96Å; F954-T962 WeakPolarHBondContact CD2-OG1 3.49Å; R957-T962 HydrophobicContact CB-CG2 4.13Å; R957-T962 PolarHBondContact O-OG1 3.34Å; D959-T962 PolarHBondContact N-OG1 3.38Å; D959-T962 PolarHBondContact O-OG1 3.24Å; D959-T962 WeakPolarHBondContact OD1-CB 3.06Å; D959-T962 VanDerWaalsContact OD1-CG2 3.31Å; D959-T962 WeakPolarHBondContact OD1-CG2 3.49Å; D959-T962 PolarHBondContact OD1-N 2.76Å; D959-T962 PolarHBondContact OD1-OG1 2.87Å; T962-L964 VanDerWaalsContact C-N 3.32Å; T962-L964 PolarHBondContact O-N 3.47Å; T962-R965 PolarHBondContact O-N 3.22Å; T962-V966 PolarHBondContact O-N 3.4Å |
| 963 | L | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -46.1 | 170.3 | 179.8 | 74.6 | 0 | 0 | 0 | 111.5 | I811 I887 Y890 I891 F954 D959 A960 R965 V966 M967 | I811-L963 HydrophobicContact CG2-CD2 3.62Å; I887-L963 HydrophobicContact CG2-CD1 4.34Å; Y890-L963 HydrophobicContact CD1-CD1 4.38Å; Y890-L963 HydrophobicContact CD1-CD2 3.64Å; Y890-L963 HydrophobicContact CD1-CG 4.41Å; Y890-L963 HydrophobicContact CE1-CD2 3.99Å; I891-L963 HydrophobicContact CD1-CD2 4.28Å; F954-L963 HydrophobicContact CD2-CB 4.26Å; F954-L963 HydrophobicContact CE1-CD1 4.08Å; F954-L963 HydrophobicContact CE2-CB 3.71Å; F954-L963 HydrophobicContact CE2-CD1 4.08Å; F954-L963 HydrophobicContact CZ-CB 4.18Å; F954-L963 HydrophobicContact CZ-CD1 3.64Å; D959-L963 WeakPolarHBondContact O-CB 3.32Å; D959-L963 PolarHBondContact O-N 3.26Å; A960-L963 PolarHBondContact O-N 2.86Å; L963-R965 VanDerWaalsContact C-N 3.28Å; L963-R965 PolarHBondContact O-N 3.14Å; L963-V966 WeakPolarHBondContact O-CA 3.27Å; L963-V966 WeakPolarHBondContact O-CB 3.43Å; L963-V966 PolarHBondContact O-N 3.34Å; L963-V966 VanDerWaalsContact O-N 3.07Å; L963-M967 HydrophobicContact CD1-CE 4.14Å; L963-M967 HydrophobicContact CG-CG 4.47Å; L963-M967 WeakPolarHBondContact O-CG 3.48Å; L963-M967 PolarHBondContact O-N 2.95Å |
| 964 | L | 95.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -39.3 | 179.9 | 178.4 | 58.2 | 0 | 0 | 0 | 111.8 | A960 P961 T962 M967 M968 L1029 F1030 L1038 | A960-L964 PolarHBondContact O-N 3.27Å; P961-L964 PolarHBondContact O-N 2.9Å; T962-L964 VanDerWaalsContact C-N 3.32Å; T962-L964 PolarHBondContact O-N 3.47Å; L964-M967 PolarHBondContact O-N 3.37Å; L964-M968 PolarHBondContact O-N 3.29Å; L964-L1029 HydrophobicContact CD2-CB 3.94Å; L964-F1030 HydrophobicContact CD1-CE1 3.82Å; L964-F1030 HydrophobicContact CD1-CE2 4.42Å; L964-F1030 HydrophobicContact CD1-CZ 3.51Å; L964-F1030 HydrophobicContact CD2-CD1 4.43Å; L964-F1030 HydrophobicContact CD2-CE1 3.98Å; L964-F1030 HydrophobicContact CD2-CE2 4.23Å; L964-F1030 HydrophobicContact CD2-CZ 3.89Å; L964-F1030 HydrophobicContact CG-CZ 4.38Å; L964-L1038 HydrophobicContact CD1-CD1 4.3Å; L964-L1038 HydrophobicContact CD2-CD1 4.14Å; L964-L1038 HydrophobicContact CG-CD1 4.19Å; L964-L1038 HydrophobicContact CG-CD2 4.32Å |
| 965 | R | 95.7 | Very high | 91.5 | Very high | 92 Ų | 92 | 34.2 Ų | 34.2 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.6 | -39 | 173.8 | -69.9 | -176.4 | 64.8 | -159.1 | -13.1 | 112.2 | E953 P961 T962 L963 M968 A969 M1041 | E953-R965 IonicContact OE1-CZ 2.86Å; E953-R965 IonicContact OE1-NH1 3.97Å; E953-R965 PolarHBondContact OE1-NH1 3.06Å; E953-R965 IonicContact OE2-CZ 3.82Å; E953-R965 IonicContact OE2-NH1 2.76Å; E953-R965 PolarHBondContact OE2-NH1 3.42Å; E953-R965 IonicContact OE2-NH2 3.08Å; E953-R965 PolarHBondContact OE2-NH2 3.18Å; P961-R965 PolarHBondContact O-N 3.05Å; T962-R965 PolarHBondContact O-N 3.22Å; L963-R965 VanDerWaalsContact C-N 3.28Å; L963-R965 PolarHBondContact O-N 3.14Å; R965-M968 PolarHBondContact O-N 2.92Å; R965-A969 WeakPolarHBondContact O-CB 3.46Å; R965-A969 PolarHBondContact O-N 3.05Å; R965-M1041 HydrophobicContact CB-CE 4.43Å; R965-M1041 HydrophobicContact CB-SD 4.34Å; R965-M1041 HydrophobicContact CG-SD 4.15Å |
| 966 | V | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | I887 C950 Y951 F954 T962 L963 M968 A969 N970 | I887-V966 HydrophobicContact CD1-CG1 3.77Å; I887-V966 HydrophobicContact CG1-CG1 3.94Å; C950-V966 VanDerWaalsContact O-CG2 3.32Å; C950-V966 WeakPolarHBondContact O-CG2 3.01Å; Y951-V966 HydrophobicContact CD1-CB 4.49Å; Y951-V966 HydrophobicContact CD1-CG1 3.84Å; Y951-V966 HydrophobicContact CD1-CG2 4.12Å; Y951-V966 HydrophobicContact CE1-CG1 3.92Å; F954-V966 HydrophobicContact CB-CG2 3.5Å; F954-V966 HydrophobicContact CD1-CG2 4.27Å; F954-V966 HydrophobicContact CG-CG2 3.99Å; T962-V966 PolarHBondContact O-N 3.4Å; L963-V966 WeakPolarHBondContact O-CA 3.27Å; L963-V966 WeakPolarHBondContact O-CB 3.43Å; L963-V966 PolarHBondContact O-N 3.34Å; L963-V966 VanDerWaalsContact O-N 3.07Å; V966-M968 VanDerWaalsContact C-N 3.27Å; V966-M968 PolarHBondContact O-N 3.37Å; V966-A969 PolarHBondContact O-N 2.92Å; V966-N970 PolarHBondContact O-N 2.81Å |
| 967 | M | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.8 | -63.1 | -58.2 | 87.5 | 0 | 0 | 111.4 | I887 L963 L964 Y971 F1015 I1018 I1019 | I887-M967 HydrophobicContact CB-CE 4.32Å; I887-M967 HydrophobicContact CD1-CE 3.59Å; I887-M967 HydrophobicContact CG1-CE 3.74Å; I887-M967 HydrophobicContact CG2-CE 3.6Å; I887-M967 HydrophobicContact CG2-SD 4.38Å; L963-M967 HydrophobicContact CD1-CE 4.14Å; L963-M967 HydrophobicContact CG-CG 4.47Å; L963-M967 WeakPolarHBondContact O-CG 3.48Å; L963-M967 PolarHBondContact O-N 2.95Å; L964-M967 PolarHBondContact O-N 3.37Å; M967-Y971 WeakPolarHBondContact O-CB 3.39Å; M967-Y971 PolarHBondContact O-N 3.17Å; M967-F1015 HydrophobicContact CE-CD1 4.36Å; M967-F1015 HydrophobicContact CE-CE1 4.2Å; M967-F1015 HydrophobicContact SD-CD1 3.88Å; M967-F1015 HydrophobicContact SD-CE1 4.2Å; M967-I1018 HydrophobicContact CG-CG2 4.13Å; M967-I1018 HydrophobicContact SD-CB 4.45Å; M967-I1018 HydrophobicContact SD-CD1 4.35Å; M967-I1018 HydrophobicContact SD-CG2 3.73Å; M967-I1019 HydrophobicContact CB-CD1 4.17Å; M967-I1019 HydrophobicContact CB-CG1 3.81Å |
| 968 | M | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 176.8 | -166.4 | 65.3 | -175.5 | 0 | 0 | 112.6 | L964 R965 V966 Y971 I972 I1019 L1038 M1041 M1042 W1081 L1084 | L964-M968 PolarHBondContact O-N 3.29Å; R965-M968 PolarHBondContact O-N 2.92Å; V966-M968 VanDerWaalsContact C-N 3.27Å; V966-M968 PolarHBondContact O-N 3.37Å; M968-Y971 PolarHBondContact O-N 2.69Å; M968-Y971 HydrophobicContact SD-CD1 4.35Å; M968-I972 HydrophobicContact CG-CD1 4.25Å; M968-I972 VanDerWaalsContact O-CG1 3.31Å; M968-I972 WeakPolarHBondContact O-CG1 3.5Å; M968-I972 PolarHBondContact O-N 2.89Å; M968-I1019 HydrophobicContact SD-CD1 4.43Å; M968-L1038 HydrophobicContact CB-CD2 3.75Å; M968-L1038 HydrophobicContact CE-CB 4.5Å; M968-L1038 WeakPolarHBondContact CE-O 3.49Å; M968-L1038 HydrophobicContact CG-CB 4.37Å; M968-L1038 HydrophobicContact CG-CD2 3.85Å; M968-L1038 HydrophobicContact SD-CB 4.45Å; M968-M1041 HydrophobicContact CB-CE 4.21Å; M968-M1041 HydrophobicContact CG-CB 4.43Å; M968-M1041 HydrophobicContact CG-CE 4.38Å; M968-M1042 HydrophobicContact CE-CB 3.7Å; M968-M1042 HydrophobicContact CE-CE 3.47Å; M968-M1042 VanDerWaalsContact CE-CE 3.47Å; M968-M1042 HydrophobicContact CE-CG 4.39Å; M968-W1081 HydrophobicContact CE-CE3 3.96Å; M968-W1081 HydrophobicContact CE-CZ3 3.74Å; M968-L1084 HydrophobicContact CE-CD1 4.43Å; M968-L1084 HydrophobicContact SD-CD1 4.18Å |
| 969 | A | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | I947 C950 Y951 R965 V966 I972 L973 M1041 | I947-A969 HydrophobicContact CD1-CB 3.95Å; I947-A969 HydrophobicContact CG2-CB 4.44Å; C950-A969 HydrophobicContact CB-CB 4.04Å; Y951-A969 HydrophobicContact CE1-CB 4.27Å; R965-A969 WeakPolarHBondContact O-CB 3.46Å; R965-A969 PolarHBondContact O-N 3.05Å; V966-A969 PolarHBondContact O-N 2.92Å; A969-I972 PolarHBondContact O-N 3.39Å; A969-L973 WeakPolarHBondContact O-CB 3.4Å; A969-L973 PolarHBondContact O-N 3.41Å; A969-M1041 HydrophobicContact CB-CE 4.36Å |
| 970 | N | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.5 | -76.6 | 11.7 | 0 | 0 | 0 | 111.4 | Q880 I887 Y951 V966 I972 L973 E974 F1015 | Q880-N970 PolarHBondContact NE2-OD1 2.81Å; Q880-N970 VanDerWaalsContact NE2-OD1 3.14Å; Q880-N970 PolarHBondContact OE1-ND2 2.68Å; I887-N970 WeakPolarHBondContact CD1-ND2 3.17Å; Y951-N970 WeakPolarHBondContact CE1-OD1 3.47Å; Y951-N970 PolarHBondContact OH-OD1 2.9Å; V966-N970 PolarHBondContact O-N 2.81Å; N970-I972 VanDerWaalsContact C-N 3.29Å; N970-I972 PolarHBondContact O-N 3.27Å; N970-L973 PolarHBondContact O-N 3.27Å; N970-L973 VanDerWaalsContact O-N 3.11Å; N970-E974 VanDerWaalsContact O-CG 3.31Å; N970-E974 WeakPolarHBondContact O-CG 3.47Å; N970-E974 PolarHBondContact O-N 2.99Å; N970-F1015 HydrophobicContact CB-CD1 3.92Å; N970-F1015 HydrophobicContact CB-CD2 3.75Å; N970-F1015 HydrophobicContact CB-CE1 3.85Å; N970-F1015 HydrophobicContact CB-CE2 3.66Å; N970-F1015 HydrophobicContact CB-CG 3.9Å; N970-F1015 HydrophobicContact CB-CZ 3.73Å; N970-F1015 VanDerWaalsContact ND2-CE1 3.25Å; N970-F1015 WeakPolarHBondContact ND2-CE1 3.38Å; N970-F1015 WeakPolarHBondContact ND2-CZ 3.47Å |
| 971 | Y | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.3 | -35.2 | 178.7 | -169.2 | -118.3 | 0 | 0 | 0 | 113.3 | M967 M968 G975 L1012 F1015 R1016 I1019 M1042 R1080 L1084 | M967-Y971 WeakPolarHBondContact O-CB 3.39Å; M967-Y971 PolarHBondContact O-N 3.17Å; M968-Y971 PolarHBondContact O-N 2.69Å; M968-Y971 HydrophobicContact SD-CD1 4.35Å; Y971-G975 WeakPolarHBondContact O-CA 3.39Å; Y971-G975 PolarHBondContact O-N 3.45Å; Y971-L1012 HydrophobicContact CD2-CD1 3.42Å; Y971-L1012 VanDerWaalsContact CD2-CD1 3.42Å; Y971-L1012 HydrophobicContact CD2-CG 4.46Å; Y971-L1012 HydrophobicContact CE2-CD1 3.24Å; Y971-L1012 HydrophobicContact CE2-CG 4Å; Y971-L1012 HydrophobicContact CG-CD1 4.36Å; Y971-F1015 HydrophobicContact CD2-CB 4.17Å; Y971-R1016 HydrophobicContact CD2-CB 4.46Å; Y971-R1016 HydrophobicContact CE2-CB 3.74Å; Y971-R1016 HydrophobicContact CE2-CG 4.34Å; Y971-I1019 HydrophobicContact CG-CD1 4.25Å; Y971-M1042 HydrophobicContact CD1-CE 3.84Å; Y971-M1042 HydrophobicContact CE1-CE 4Å; Y971-R1080 HydrophobicContact CE1-CB 3.82Å; Y971-R1080 VanDerWaalsContact CE1-O 3.28Å; Y971-R1080 WeakPolarHBondContact CE1-O 3.5Å; Y971-R1080 PolarHBondContact OH-O 3.44Å; Y971-L1084 HydrophobicContact CD1-CD1 3.87Å; Y971-L1084 HydrophobicContact CD1-CG 4.43Å; Y971-L1084 HydrophobicContact CE1-CD1 3.57Å; Y971-L1084 HydrophobicContact CE1-CD2 4.07Å; Y971-L1084 HydrophobicContact CE1-CG 3.7Å |
| 972 | I | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -69.3 | -46 | 172.3 | -68.7 | 161.8 | 0 | 0 | 0 | 110.5 | F946 M968 A969 N970 G975 I976 Y977 M1041 M1042 | F946-I972 HydrophobicContact CE1-CD1 4.39Å; M968-I972 HydrophobicContact CG-CD1 4.25Å; M968-I972 VanDerWaalsContact O-CG1 3.31Å; M968-I972 WeakPolarHBondContact O-CG1 3.5Å; M968-I972 PolarHBondContact O-N 2.89Å; A969-I972 PolarHBondContact O-N 3.39Å; N970-I972 VanDerWaalsContact C-N 3.29Å; N970-I972 PolarHBondContact O-N 3.27Å; I972-G975 PolarHBondContact O-N 3.42Å; I972-I976 HydrophobicContact CG2-CD1 4.31Å; I972-I976 WeakPolarHBondContact O-CA 3.4Å; I972-I976 VanDerWaalsContact O-CB 3.3Å; I972-I976 WeakPolarHBondContact O-CB 3.41Å; I972-I976 PolarHBondContact O-N 2.97Å; I972-Y977 HydrophobicContact CG2-CD1 4.36Å; I972-Y977 HydrophobicContact CG2-CE1 4.03Å; I972-Y977 PolarHBondContact O-N 2.89Å; I972-M1041 HydrophobicContact CD1-CB 4.09Å; I972-M1041 WeakPolarHBondContact CD1-O 3.41Å; I972-M1042 HydrophobicContact CG1-CE 4.03Å; I972-M1042 HydrophobicContact CG1-SD 4.06Å |
| 973 | L | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -59.8 | -54.3 | -180 | -171.8 | 159.5 | 0 | 0 | 0 | 110.7 | L876 Q880 I947 A969 N970 G975 Y977 F978 | L876-L973 HydrophobicContact CB-CD1 4.31Å; L876-L973 HydrophobicContact CB-CD2 4.37Å; L876-L973 HydrophobicContact CD1-CD1 4.38Å; L876-L973 HydrophobicContact CD1-CD2 4.2Å; L876-L973 HydrophobicContact CD1-CG 3.94Å; L876-L973 HydrophobicContact CD2-CD1 3.77Å; L876-L973 HydrophobicContact CD2-CG 4.22Å; L876-L973 HydrophobicContact CG-CD1 4.36Å; L876-L973 HydrophobicContact CG-CG 4.46Å; Q880-L973 HydrophobicContact CG-CD1 4.21Å; Q880-L973 HydrophobicContact CG-CD2 4.04Å; I947-L973 HydrophobicContact CG2-CD1 3.92Å; A969-L973 WeakPolarHBondContact O-CB 3.4Å; A969-L973 PolarHBondContact O-N 3.41Å; N970-L973 PolarHBondContact O-N 3.27Å; N970-L973 VanDerWaalsContact O-N 3.11Å; L973-G975 PolarHBondContact O-N 3.42Å; L973-Y977 HydrophobicContact CG-CD2 4.49Å; L973-Y977 WeakPolarHBondContact O-CB 3.35Å; L973-Y977 PolarHBondContact O-N 3.27Å; L973-F978 HydrophobicContact CD2-CD2 3.58Å; L973-F978 HydrophobicContact CD2-CE2 3.14Å; L973-F978 HydrophobicContact CD2-CZ 4.01Å; L973-F978 HydrophobicContact CG-CE2 4.45Å; L973-F978 PolarHBondContact O-N 3.43Å |
| 974 | E | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -65.8 | -37.6 | 179.6 | -49.5 | -39 | 170.8 | 0 | 0 | 112.6 | Q880 Q903 N970 F978 Y979 E1008 H1011 L1012 F1015 | Q880-E974 PolarHBondContact NE2-OE1 2.93Å; Q903-E974 PolarHBondContact NE2-OE1 2.99Å; Q903-E974 VanDerWaalsContact NE2-OE1 3.11Å; N970-E974 VanDerWaalsContact O-CG 3.31Å; N970-E974 WeakPolarHBondContact O-CG 3.47Å; N970-E974 PolarHBondContact O-N 2.99Å; E974-F978 VanDerWaalsContact OE2-CD2 3.27Å; E974-F978 WeakPolarHBondContact OE2-CD2 3.44Å; E974-F978 WeakPolarHBondContact OE2-CE2 3.47Å; E974-Y979 VanDerWaalsContact O-CD2 3.26Å; E974-Y979 WeakPolarHBondContact O-CD2 3.38Å; E974-Y979 WeakPolarHBondContact O-CE2 3.33Å; E974-E1008 VanDerWaalsContact OE2-OE2 3.08Å; E974-H1011 HydrophobicContact CB-CB 4.47Å; E974-H1011 HydrophobicContact CG-CB 3.81Å; E974-L1012 HydrophobicContact CB-CB 4.12Å; E974-L1012 HydrophobicContact CB-CD1 4.32Å; E974-F1015 HydrophobicContact CG-CD2 3.79Å; E974-F1015 HydrophobicContact CG-CE2 3.82Å |
| 975 | G | 90.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | I | π-helix | trans | -92.1 | -20.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y971 I972 L973 L1012 R1080 | Y971-G975 WeakPolarHBondContact O-CA 3.39Å; Y971-G975 PolarHBondContact O-N 3.45Å; I972-G975 PolarHBondContact O-N 3.42Å; L973-G975 PolarHBondContact O-N 3.42Å; G975-L1012 VanDerWaalsContact CA-CD1 3.48Å; G975-R1080 PolarHBondContact O-NE 3.46Å |
| 976 | I | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | I | π-helix | trans | -127.2 | -55.7 | -172.5 | -61.7 | 169.3 | 0 | 0 | 0 | 110.9 | I972 Y979 S980 M1042 V1046 E1049 I1073 R1080 | I972-I976 HydrophobicContact CG2-CD1 4.31Å; I972-I976 WeakPolarHBondContact O-CA 3.4Å; I972-I976 VanDerWaalsContact O-CB 3.3Å; I972-I976 WeakPolarHBondContact O-CB 3.41Å; I972-I976 PolarHBondContact O-N 2.97Å; I976-Y979 PolarHBondContact O-N 2.72Å; I976-S980 VanDerWaalsContact O-CB 3.27Å; I976-S980 WeakPolarHBondContact O-CB 3.03Å; I976-S980 PolarHBondContact O-N 2.81Å; I976-M1042 HydrophobicContact CD1-CE 4.43Å; I976-M1042 HydrophobicContact CD1-SD 3.32Å; I976-M1042 WeakPolarHBondContact CD1-SD 3.39Å; I976-V1046 HydrophobicContact CD1-CG2 3.68Å; I976-E1049 HydrophobicContact CG2-CB 3.99Å; I976-E1049 HydrophobicContact CG2-CG 3.92Å; I976-I1073 HydrophobicContact CG2-CG2 4.08Å; I976-R1080 HydrophobicContact CG1-CG 4.34Å |
| 977 | Y | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | I | π-helix | trans | -65.5 | -47 | -171.4 | -72.1 | 1.2 | 0 | 0 | 0 | 111.8 | F872 L876 R943 I947 I972 L973 G981 G1045 E1049 | F872-Y977 HydrophobicContact CE1-CD2 4.45Å; F872-Y977 HydrophobicContact CE1-CG 4.4Å; F872-Y977 AromaticContact CZ-CD2 3.66Å; F872-Y977 HydrophobicContact CZ-CD2 3.66Å; F872-Y977 HydrophobicContact CZ-CE2 4.3Å; F872-Y977 AromaticContact CZ-CG 4Å; F872-Y977 HydrophobicContact CZ-CG 4Å; L876-Y977 HydrophobicContact CD1-CD2 4.17Å; R943-Y977 HydrophobicContact CB-CE2 4.38Å; I947-Y977 HydrophobicContact CD1-CE2 4.13Å; I947-Y977 HydrophobicContact CG1-CD2 4.41Å; I947-Y977 HydrophobicContact CG1-CE2 3.74Å; I972-Y977 HydrophobicContact CG2-CD1 4.36Å; I972-Y977 HydrophobicContact CG2-CE1 4.03Å; I972-Y977 PolarHBondContact O-N 2.89Å; L973-Y977 HydrophobicContact CG-CD2 4.49Å; L973-Y977 WeakPolarHBondContact O-CB 3.35Å; L973-Y977 PolarHBondContact O-N 3.27Å; Y977-G981 PolarHBondContact O-N 2.99Å; Y977-G1045 WeakPolarHBondContact CE1-O 3.41Å; Y977-E1049 HydrophobicContact CD1-CB 4.3Å; Y977-E1049 HydrophobicContact CD1-CG 4.39Å; Y977-E1049 WeakPolarHBondContact CD1-OE2 3.29Å; Y977-E1049 HydrophobicContact CE1-CB 4.23Å; Y977-E1049 WeakPolarHBondContact CE1-OE2 3.48Å |
| 978 | F | 89.1 | Confident | 92.5 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -63.9 | -50 | 176 | -84 | -56.6 | 0 | 0 | 0 | 112.6 | L873 L876 D877 L973 E974 S980 G981 F982 E1008 | L873-F978 HydrophobicContact CB-CE1 4.49Å; L873-F978 HydrophobicContact CD2-CD1 3.39Å; L873-F978 HydrophobicContact CD2-CE1 3.6Å; L876-F978 HydrophobicContact CB-CE1 4.35Å; L876-F978 HydrophobicContact CB-CZ 3.85Å; L876-F978 HydrophobicContact CD1-CE1 4.44Å; L876-F978 HydrophobicContact CD1-CZ 4.33Å; D877-F978 VanDerWaalsContact CG-CZ 3.5Å; D877-F978 WeakPolarHBondContact OD2-CE1 3.31Å; D877-F978 WeakPolarHBondContact OD2-CZ 3.25Å; L973-F978 HydrophobicContact CD2-CD2 3.58Å; L973-F978 HydrophobicContact CD2-CE2 3.14Å; L973-F978 HydrophobicContact CD2-CZ 4.01Å; L973-F978 HydrophobicContact CG-CE2 4.45Å; L973-F978 PolarHBondContact O-N 3.43Å; E974-F978 VanDerWaalsContact OE2-CD2 3.27Å; E974-F978 WeakPolarHBondContact OE2-CD2 3.44Å; E974-F978 WeakPolarHBondContact OE2-CE2 3.47Å; F978-S980 VanDerWaalsContact C-N 3.31Å; F978-S980 PolarHBondContact O-N 2.58Å; F978-G981 CarbonylContact O-C 3.53Å; F978-G981 WeakPolarHBondContact O-CA 3.31Å; F978-G981 PolarHBondContact O-N 3.38Å; F978-F982 HydrophobicContact CB-CD2 4.42Å; F978-F982 HydrophobicContact CB-CE1 4.26Å; F978-F982 HydrophobicContact CB-CE2 3.68Å; F978-F982 HydrophobicContact CB-CZ 3.59Å; F978-F982 AromaticContact CD1-CE1 3.83Å; F978-F982 HydrophobicContact CD1-CE1 3.83Å; F978-F982 AromaticContact CD1-CZ 3.58Å; F978-F982 HydrophobicContact CD1-CZ 3.58Å; F978-F982 HydrophobicContact CG-CE1 4.47Å; F978-F982 HydrophobicContact CG-CE2 4.4Å; F978-F982 AromaticContact CG-CZ 3.87Å; F978-F982 HydrophobicContact CG-CZ 3.87Å; F978-F982 VanDerWaalsContact O-CD1 3.26Å; F978-F982 WeakPolarHBondContact O-CD1 3.44Å; F978-F982 WeakPolarHBondContact O-CD2 3.5Å; F978-F982 WeakPolarHBondContact O-CG 3.45Å; F978-F982 PolarHBondContact O-N 3.22Å; F978-E1008 HydrophobicContact CB-CG 4.29Å; F978-E1008 HydrophobicContact CD2-CG 4.1Å; F978-E1008 HydrophobicContact CG-CG 4.12Å |
| 979 | Y | 88.2 | Confident | 91.9 | Very high | 15 Ų | 15 | 2.5 Ų | 2.5 | 6% | 0.059 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -59.3 | -39.6 | -178.8 | -83.2 | -107.3 | 0 | 0 | 0 | 113.1 | E974 I976 F982 M983 L1076 R1080 | E974-Y979 VanDerWaalsContact O-CD2 3.26Å; E974-Y979 WeakPolarHBondContact O-CD2 3.38Å; E974-Y979 WeakPolarHBondContact O-CE2 3.33Å; I976-Y979 PolarHBondContact O-N 2.72Å; Y979-F982 PolarHBondContact O-N 2.72Å; Y979-M983 PolarHBondContact O-N 3.22Å; Y979-M983 VanDerWaalsContact O-N 3.16Å; Y979-L1076 HydrophobicContact CD1-CD2 4.2Å; Y979-R1080 VanDerWaalsContact CE1-NH2 3.26Å; Y979-R1080 VanDerWaalsContact CZ-NH2 3.34Å |
| 980 | S | 88.4 | Confident | 91.3 | Very high | 6 Ų | 6 | 6.2 Ų | 6.2 | 4% | 0.042 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | I976 F978 F982 E1049 | I976-S980 VanDerWaalsContact O-CB 3.27Å; I976-S980 WeakPolarHBondContact O-CB 3.03Å; I976-S980 PolarHBondContact O-N 2.81Å; F978-S980 VanDerWaalsContact C-N 3.31Å; F978-S980 PolarHBondContact O-N 2.58Å; S980-F982 PolarHBondContact O-N 3.28Å; S980-E1049 WeakPolarHBondContact CB-OE1 3.32Å; S980-E1049 WeakPolarHBondContact OG-CG 3.26Å; S980-E1049 PolarHBondContact OG-OE1 3.39Å |
| 981 | G | 88.1 | Confident | 90.7 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y977 F978 M983 F984 F985 | Y977-G981 PolarHBondContact O-N 2.99Å; F978-G981 CarbonylContact O-C 3.53Å; F978-G981 WeakPolarHBondContact O-CA 3.31Å; F978-G981 PolarHBondContact O-N 3.38Å; G981-M983 PolarHBondContact O-N 2.7Å; G981-F984 WeakPolarHBondContact O-CB 3.27Å; G981-F984 PolarHBondContact O-N 2.88Å; G981-F985 VanDerWaalsContact O-CD2 3.31Å; G981-F985 WeakPolarHBondContact O-CD2 3.09Å |
| 982 | F | 93.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | -175.7 | -58.6 | -20.5 | 0 | 0 | 0 | 113.5 | L873 F978 Y979 S980 F984 F985 Y986 I1001 I1004 N1005 E1008 | L873-F982 HydrophobicContact CD1-CE1 4.32Å; L873-F982 HydrophobicContact CD2-CE1 4.28Å; F978-F982 HydrophobicContact CB-CD2 4.42Å; F978-F982 HydrophobicContact CB-CE1 4.26Å; F978-F982 HydrophobicContact CB-CE2 3.68Å; F978-F982 HydrophobicContact CB-CZ 3.59Å; F978-F982 AromaticContact CD1-CE1 3.83Å; F978-F982 HydrophobicContact CD1-CE1 3.83Å; F978-F982 AromaticContact CD1-CZ 3.58Å; F978-F982 HydrophobicContact CD1-CZ 3.58Å; F978-F982 HydrophobicContact CG-CE1 4.47Å; F978-F982 HydrophobicContact CG-CE2 4.4Å; F978-F982 AromaticContact CG-CZ 3.87Å; F978-F982 HydrophobicContact CG-CZ 3.87Å; F978-F982 VanDerWaalsContact O-CD1 3.26Å; F978-F982 WeakPolarHBondContact O-CD1 3.44Å; F978-F982 WeakPolarHBondContact O-CD2 3.5Å; F978-F982 WeakPolarHBondContact O-CG 3.45Å; F978-F982 PolarHBondContact O-N 3.22Å; Y979-F982 PolarHBondContact O-N 2.72Å; S980-F982 PolarHBondContact O-N 3.28Å; F982-F984 PolarHBondContact O-N 3.2Å; F982-F984 VanDerWaalsContact O-N 3.13Å; F982-F985 PolarHBondContact O-N 2.88Å; F982-Y986 HydrophobicContact CB-CE2 3.88Å; F982-Y986 WeakPolarHBondContact O-CD2 3.45Å; F982-Y986 PolarHBondContact O-N 3.46Å; F982-I1001 HydrophobicContact CB-CG2 3.57Å; F982-I1001 HydrophobicContact CD1-CD1 4.01Å; F982-I1001 HydrophobicContact CD1-CG2 3.37Å; F982-I1001 HydrophobicContact CD2-CG2 4.46Å; F982-I1001 HydrophobicContact CE1-CD1 4.08Å; F982-I1001 HydrophobicContact CE1-CG2 4.15Å; F982-I1001 HydrophobicContact CG-CG2 3.55Å; F982-I1004 HydrophobicContact CE1-CG2 4.09Å; F982-I1004 HydrophobicContact CZ-CB 4.49Å; F982-I1004 HydrophobicContact CZ-CG2 3.63Å; F982-N1005 HydrophobicContact CD2-CB 3.62Å; F982-N1005 WeakPolarHBondContact CD2-OD1 3.2Å; F982-N1005 HydrophobicContact CE2-CB 3.7Å; F982-N1005 HydrophobicContact CG-CB 4.49Å; F982-E1008 HydrophobicContact CE2-CB 4.32Å; F982-E1008 HydrophobicContact CE2-CG 3.86Å; F982-E1008 HydrophobicContact CZ-CG 3.82Å |
| 983 | M | 92.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -50 | -38.5 | 175.1 | 174.4 | -147.8 | 64.8 | 0 | 0 | 112.1 | Y979 G981 Y986 N987 I1057 L1064 I1069 Y1072 M1100 W1102 V1103 | Y979-M983 PolarHBondContact O-N 3.22Å; Y979-M983 VanDerWaalsContact O-N 3.16Å; G981-M983 PolarHBondContact O-N 2.7Å; M983-Y986 PolarHBondContact O-N 3.43Å; M983-N987 PolarHBondContact O-N 3.24Å; M983-I1057 HydrophobicContact CE-CD1 3.76Å; M983-L1064 HydrophobicContact CE-CD1 3.96Å; M983-L1064 HydrophobicContact CE-CD2 4.18Å; M983-L1064 HydrophobicContact CG-CD2 4.44Å; M983-L1064 HydrophobicContact SD-CD2 4.01Å; M983-I1069 HydrophobicContact CE-CG1 4.21Å; M983-Y1072 HydrophobicContact CB-CD1 4.49Å; M983-Y1072 HydrophobicContact CB-CE1 4.03Å; M983-Y1072 HydrophobicContact CG-CD1 4.31Å; M983-Y1072 HydrophobicContact CG-CE1 4.25Å; M983-Y1072 HydrophobicContact SD-CD1 3.79Å; M983-Y1072 HydrophobicContact SD-CE1 4.28Å; M983-M1100 HydrophobicContact CG-CE 3.63Å; M983-M1100 HydrophobicContact SD-CE 3.19Å; M983-M1100 WeakPolarHBondContact SD-CE 3.28Å; M983-W1102 HydrophobicContact CG-CH2 4.26Å; M983-V1103 HydrophobicContact CB-CG1 4.36Å; M983-V1103 HydrophobicContact CG-CG1 4.45Å; M983-V1103 HydrophobicContact CG-CG2 3.86Å |
| 984 | F | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | 177.8 | 170.1 | -100 | 0 | 0 | 0 | 112.7 | E862 A865 Y866 I869 G981 F982 Y986 N987 L988 I1057 I1061 | E862-F984 WeakPolarHBondContact O-CZ 3.38Å; A865-F984 HydrophobicContact CB-CD2 4.31Å; A865-F984 HydrophobicContact CB-CE2 3.63Å; A865-F984 HydrophobicContact CB-CZ 3.74Å; Y866-F984 VanDerWaalsContact CA-CE1 3.47Å; Y866-F984 HydrophobicContact CD2-CE1 4.1Å; Y866-F984 HydrophobicContact CG-CE1 4.39Å; I869-F984 HydrophobicContact CD1-CB 3.59Å; I869-F984 HydrophobicContact CD1-CD1 3.58Å; I869-F984 HydrophobicContact CD1-CD2 4.02Å; I869-F984 HydrophobicContact CD1-CE1 4.29Å; I869-F984 HydrophobicContact CD1-CG 3.42Å; I869-F984 VanDerWaalsContact CD1-CG 3.42Å; G981-F984 WeakPolarHBondContact O-CB 3.27Å; G981-F984 PolarHBondContact O-N 2.88Å; F982-F984 PolarHBondContact O-N 3.2Å; F982-F984 VanDerWaalsContact O-N 3.13Å; F984-Y986 VanDerWaalsContact C-N 3.34Å; F984-Y986 PolarHBondContact O-N 3.21Å; F984-N987 WeakPolarHBondContact O-CB 3.32Å; F984-N987 PolarHBondContact O-N 3.14Å; F984-L988 HydrophobicContact CD1-CD1 4.36Å; F984-L988 HydrophobicContact CE1-CD1 3.53Å; F984-L988 HydrophobicContact CE1-CG 4.16Å; F984-L988 HydrophobicContact CE2-CD1 4.48Å; F984-L988 HydrophobicContact CE2-CD2 4.48Å; F984-L988 HydrophobicContact CE2-CG 4.34Å; F984-L988 HydrophobicContact CZ-CD1 3.61Å; F984-L988 HydrophobicContact CZ-CD2 4.2Å; F984-L988 HydrophobicContact CZ-CG 3.94Å; F984-L988 PolarHBondContact O-N 3.1Å; F984-L988 VanDerWaalsContact O-N 3.1Å; F984-I1057 HydrophobicContact CB-CD1 4.4Å; F984-I1057 HydrophobicContact CD2-CD1 4.34Å; F984-I1057 HydrophobicContact CD2-CG1 4.16Å; F984-I1061 HydrophobicContact CD2-CD1 4.34Å; F984-I1061 HydrophobicContact CE2-CD1 3.69Å; F984-I1061 HydrophobicContact CE2-CG2 4.41Å |
| 985 | F | 93.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 178.8 | -67.1 | -91.3 | 0 | 0 | 0 | 111.8 | Y866 I869 L870 L873 G981 F982 N987 L988 S989 I1001 | Y866-F985 HydrophobicContact CD2-CD1 4.19Å; Y866-F985 AromaticContact CD2-CE1 3.69Å; Y866-F985 HydrophobicContact CD2-CE1 3.69Å; Y866-F985 HydrophobicContact CD2-CZ 4.48Å; Y866-F985 AromaticContact CE2-CD1 3.83Å; Y866-F985 HydrophobicContact CE2-CD1 3.83Å; Y866-F985 AromaticContact CE2-CE1 3.3Å; Y866-F985 HydrophobicContact CE2-CE1 3.3Å; Y866-F985 HydrophobicContact CE2-CZ 4.35Å; Y866-F985 AromaticContact CZ-CE1 3.83Å; I869-F985 HydrophobicContact CG2-CE2 3.73Å; I869-F985 HydrophobicContact CG2-CZ 4.41Å; L870-F985 HydrophobicContact CB-CZ 4.48Å; L873-F985 HydrophobicContact CD1-CE2 3.87Å; L873-F985 HydrophobicContact CD1-CZ 4.41Å; G981-F985 VanDerWaalsContact O-CD2 3.31Å; G981-F985 WeakPolarHBondContact O-CD2 3.09Å; F982-F985 PolarHBondContact O-N 2.88Å; F985-N987 VanDerWaalsContact C-N 3.31Å; F985-N987 PolarHBondContact O-N 3.19Å; F985-L988 PolarHBondContact O-N 3.26Å; F985-S989 PolarHBondContact O-N 3.04Å; F985-I1001 HydrophobicContact CB-CB 4.33Å; F985-I1001 HydrophobicContact CB-CG1 4.03Å; F985-I1001 HydrophobicContact CB-CG2 4.31Å; F985-I1001 HydrophobicContact CD1-CG1 4.06Å; F985-I1001 HydrophobicContact CD2-CD1 4.11Å; F985-I1001 HydrophobicContact CD2-CG1 3.85Å; F985-I1001 HydrophobicContact CE1-CG1 4.46Å; F985-I1001 HydrophobicContact CE2-CD1 4.14Å; F985-I1001 HydrophobicContact CE2-CG1 4.3Å; F985-I1001 HydrophobicContact CG-CD1 4.45Å; F985-I1001 HydrophobicContact CG-CG1 3.73Å; F985-I1001 HydrophobicContact CZ-CD1 4.48Å |
| 986 | Y | 91.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 172.9 | -58 | -26.8 | 0 | 0 | 0 | 111.8 | F982 M983 F984 S989 R990 I1001 R1002 N1005 V1103 A1107 | F982-Y986 HydrophobicContact CB-CE2 3.88Å; F982-Y986 WeakPolarHBondContact O-CD2 3.45Å; F982-Y986 PolarHBondContact O-N 3.46Å; M983-Y986 PolarHBondContact O-N 3.43Å; F984-Y986 VanDerWaalsContact C-N 3.34Å; F984-Y986 PolarHBondContact O-N 3.21Å; Y986-S989 PolarHBondContact O-N 3.18Å; Y986-R990 WeakPolarHBondContact O-CB 3.5Å; Y986-R990 PolarHBondContact O-N 3.39Å; Y986-I1001 HydrophobicContact CE1-CB 4.48Å; Y986-I1001 HydrophobicContact CE1-CG2 3.79Å; Y986-R1002 HydrophobicContact CD1-CG 4.48Å; Y986-R1002 HydrophobicContact CE1-CG 3.65Å; Y986-N1005 VanDerWaalsContact OH-CB 3.28Å; Y986-N1005 WeakPolarHBondContact OH-CB 3.32Å; Y986-N1005 PolarHBondContact OH-ND2 2.9Å; Y986-V1103 HydrophobicContact CD2-CG1 4.15Å; Y986-A1107 HydrophobicContact CD2-CB 4.44Å; Y986-A1107 HydrophobicContact CE2-CB 3.69Å |
| 987 | N | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.8 | -175.9 | 63.4 | 0 | 0 | 0 | 112.5 | M983 F984 F985 R990 N991 P1062 L1064 W1102 | M983-N987 PolarHBondContact O-N 3.24Å; F984-N987 WeakPolarHBondContact O-CB 3.32Å; F984-N987 PolarHBondContact O-N 3.14Å; F985-N987 VanDerWaalsContact C-N 3.31Å; F985-N987 PolarHBondContact O-N 3.19Å; N987-R990 PolarHBondContact O-N 2.72Å; N987-R990 PolarHBondContact OD1-NH2 2.69Å; N987-N991 PolarHBondContact O-N 2.81Å; N987-N991 VanDerWaalsContact O-N 3.1Å; N987-N991 PolarHBondContact O-ND2 2.88Å; N987-N991 VanDerWaalsContact O-ND2 3.16Å; N987-P1062 PolarHBondContact ND2-O 2.96Å; N987-P1062 PolarHBondContact OD1-O 2.86Å; N987-L1064 HydrophobicContact CB-CD1 3.69Å; N987-L1064 HydrophobicContact CB-CG 4.04Å; N987-W1102 HydrophobicContact CB-CH2 3.7Å; N987-W1102 HydrophobicContact CB-CZ3 4.24Å |
| 988 | L | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.1 | -70.1 | 179.7 | 0 | 0 | 0 | 111.1 | L858 E862 Y866 F984 F985 R990 N991 G992 K993 M994 | L858-L988 HydrophobicContact CD2-CD2 4.24Å; E862-L988 HydrophobicContact CB-CD2 4.23Å; E862-L988 HydrophobicContact CG-CD2 4.09Å; Y866-L988 HydrophobicContact CD2-CD1 3.8Å; F984-L988 HydrophobicContact CD1-CD1 4.36Å; F984-L988 HydrophobicContact CE1-CD1 3.53Å; F984-L988 HydrophobicContact CE1-CG 4.16Å; F984-L988 HydrophobicContact CE2-CD1 4.48Å; F984-L988 HydrophobicContact CE2-CD2 4.48Å; F984-L988 HydrophobicContact CE2-CG 4.34Å; F984-L988 HydrophobicContact CZ-CD1 3.61Å; F984-L988 HydrophobicContact CZ-CD2 4.2Å; F984-L988 HydrophobicContact CZ-CG 3.94Å; F984-L988 PolarHBondContact O-N 3.1Å; F984-L988 VanDerWaalsContact O-N 3.1Å; F985-L988 PolarHBondContact O-N 3.26Å; L988-R990 PolarHBondContact O-N 2.73Å; L988-N991 CarbonylContact O-C 3.56Å; L988-N991 WeakPolarHBondContact O-CA 3.4Å; L988-N991 WeakPolarHBondContact O-CB 3.46Å; L988-N991 PolarHBondContact O-N 3.06Å; L988-G992 PolarHBondContact O-N 3.24Å; L988-K993 CarbonylContact C-O 3.57Å; L988-K993 HydrophobicContact CB-CB 4.41Å; L988-K993 PolarHBondContact O-N 2.7Å; L988-M994 HydrophobicContact CB-CB 4.33Å; L988-M994 HydrophobicContact CD1-CB 4.23Å; L988-M994 HydrophobicContact CD1-CG 3.99Å |
| 989 | S | 85.8 | Confident | 88.9 | Confident | 22 Ų | 22 | 19 Ų | 19 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | F985 Y986 N991 G992 K993 | F985-S989 PolarHBondContact O-N 3.04Å; Y986-S989 PolarHBondContact O-N 3.18Å; S989-N991 PolarHBondContact O-N 3Å; S989-G992 WeakPolarHBondContact O-CA 3.45Å; S989-G992 PolarHBondContact O-N 3.4Å; S989-K993 VanDerWaalsContact CA-O 3.24Å; S989-K993 WeakPolarHBondContact CA-O 3.43Å; S989-K993 PolarHBondContact N-O 3.06Å; S989-K993 VanDerWaalsContact N-O 3.14Å |
| 990 | R | 83.2 | Confident | 89 | Confident | 77 Ų | 77 | 18.3 Ų | 18.3 | 29% | 0.291 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -58.2 | -34.9 | 172.5 | -175.5 | 178.8 | 75.9 | 174.1 | -5.4 | 112.1 | Y986 N987 L988 G992 G1063 Y1106 | Y986-R990 WeakPolarHBondContact O-CB 3.5Å; Y986-R990 PolarHBondContact O-N 3.39Å; N987-R990 PolarHBondContact O-N 2.72Å; N987-R990 PolarHBondContact OD1-NH2 2.69Å; L988-R990 PolarHBondContact O-N 2.73Å; R990-G992 PolarHBondContact O-N 3.1Å; R990-G1063 PolarHBondContact NH2-O 2.87Å; R990-Y1106 HydrophobicContact CB-CD1 4.43Å; R990-Y1106 HydrophobicContact CB-CE1 3.8Å; R990-Y1106 HydrophobicContact CB-CE2 4.39Å; R990-Y1106 HydrophobicContact CG-CE1 4.35Å; R990-Y1106 HydrophobicContact CG-CE2 4.21Å |
| 991 | N | 82.3 | Confident | 89.3 | Confident | 63 Ų | 63 | 18 Ų | 18 | 34% | 0.337 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 11.4 | 175.3 | -69.8 | -37.7 | 0 | 0 | 0 | 113.5 | N987 L988 S989 P1062 | N987-N991 PolarHBondContact O-N 2.81Å; N987-N991 VanDerWaalsContact O-N 3.1Å; N987-N991 PolarHBondContact O-ND2 2.88Å; N987-N991 VanDerWaalsContact O-ND2 3.16Å; L988-N991 CarbonylContact O-C 3.56Å; L988-N991 WeakPolarHBondContact O-CA 3.4Å; L988-N991 WeakPolarHBondContact O-CB 3.46Å; L988-N991 PolarHBondContact O-N 3.06Å; S989-N991 PolarHBondContact O-N 3Å; N991-P1062 PolarHBondContact ND2-O 3.13Å |
| 992 | G | 80.8 | Confident | 89.3 | Confident | 58 Ų | 58 | 18.7 Ų | 18.7 | 60% | 0.598 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 27.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L988 S989 R990 | L988-G992 PolarHBondContact O-N 3.24Å; S989-G992 WeakPolarHBondContact O-CA 3.45Å; S989-G992 PolarHBondContact O-N 3.4Å; R990-G992 PolarHBondContact O-N 3.1Å |
| 993 | K | 88.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 20.2 Ų | 20.2 | 21% | 0.213 | 11% | 0.114 | C | C | . | . | trans | -125.1 | 147.2 | -178.2 | -57.4 | 169 | -176.4 | -180 | 0 | 110.4 | D854 L858 E862 L988 S989 S995 | D854-K993 WeakPolarHBondContact OD2-CA 3.35Å; L858-K993 HydrophobicContact CD2-CB 4.12Å; L858-K993 HydrophobicContact CD2-CD 3.81Å; L858-K993 HydrophobicContact CD2-CG 4.4Å; E862-K993 IonicContact OE1-NZ 2.67Å; E862-K993 PolarHBondContact OE1-NZ 3.3Å; E862-K993 IonicContact OE2-NZ 2.74Å; E862-K993 PolarHBondContact OE2-NZ 3.17Å; L988-K993 CarbonylContact C-O 3.57Å; L988-K993 HydrophobicContact CB-CB 4.41Å; L988-K993 PolarHBondContact O-N 2.7Å; S989-K993 VanDerWaalsContact CA-O 3.24Å; S989-K993 WeakPolarHBondContact CA-O 3.43Å; S989-K993 PolarHBondContact N-O 3.06Å; S989-K993 VanDerWaalsContact N-O 3.14Å; K993-S995 VanDerWaalsContact C-N 3.29Å; K993-S995 PolarHBondContact O-N 3.02Å | ||
| 994 | M | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | 53.4 | 43.7 | 170.6 | -52.4 | -57.7 | -66.9 | 0 | 0 | 113.4 | D851 D854 Y855 L858 Y866 I921 L988 G996 S997 A998 | D851-M994 HydrophobicContact CB-CE 3.73Å; D851-M994 HydrophobicContact CB-SD 4.13Å; D851-M994 WeakPolarHBondContact OD1-CA 3.31Å; D854-M994 HydrophobicContact CB-CG 4.46Å; D854-M994 HydrophobicContact CB-SD 3.68Å; D854-M994 PolarHBondContact OD2-N 2.58Å; Y855-M994 HydrophobicContact CD2-CE 4.18Å; L858-M994 HydrophobicContact CD1-CG 4.13Å; L858-M994 HydrophobicContact CD1-SD 4.21Å; L858-M994 HydrophobicContact CD2-CG 4.11Å; Y866-M994 HydrophobicContact CD2-CE 4.43Å; Y866-M994 HydrophobicContact CE2-CE 3.61Å; Y866-M994 HydrophobicContact CE2-CG 4.37Å; I921-M994 HydrophobicContact CD1-CE 4.28Å; L988-M994 HydrophobicContact CB-CB 4.33Å; L988-M994 HydrophobicContact CD1-CB 4.23Å; L988-M994 HydrophobicContact CD1-CG 3.99Å; M994-G996 VanDerWaalsContact C-N 3.3Å; M994-G996 PolarHBondContact O-N 2.85Å; M994-S997 PolarHBondContact O-N 3.12Å; M994-A998 PolarHBondContact O-N 3.4Å | ||
| 995 | S | 87.4 | Confident | 89 | Confident | 48 Ų | 48 | 20.8 Ų | 20.8 | 34% | 0.336 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.9 | -31.7 | -174 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | K993 Q999 | K993-S995 VanDerWaalsContact C-N 3.29Å; K993-S995 PolarHBondContact O-N 3.02Å; S995-Q999 WeakPolarHBondContact O-CB 3.48Å; S995-Q999 PolarHBondContact O-N 3.11Å |
| 996 | G | 87.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.5 | -47.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L848 D851 M994 A998 Q999 E1000 | L848-G996 VanDerWaalsContact CD2-C 3.45Å; D851-G996 PolarHBondContact OD1-N 3.06Å; D851-G996 WeakPolarHBondContact OD2-CA 3.43Å; D851-G996 PolarHBondContact OD2-N 2.95Å; M994-G996 VanDerWaalsContact C-N 3.3Å; M994-G996 PolarHBondContact O-N 2.85Å; G996-A998 VanDerWaalsContact C-N 3.29Å; G996-A998 PolarHBondContact O-N 2.65Å; G996-Q999 WeakPolarHBondContact O-CA 3.49Å; G996-Q999 WeakPolarHBondContact O-CB 3.37Å; G996-Q999 PolarHBondContact O-N 2.84Å; G996-E1000 PolarHBondContact O-N 2.74Å |
| 997 | S | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 173.2 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | D851 Y866 M994 Q999 E1000 I1001 | D851-S997 WeakPolarHBondContact OD1-CB 3.17Å; D851-S997 PolarHBondContact OD1-N 2.64Å; D851-S997 PolarHBondContact OD1-OG 3.38Å; D851-S997 VanDerWaalsContact OD1-OG 3.12Å; Y866-S997 PolarHBondContact OH-OG 2.88Å; M994-S997 PolarHBondContact O-N 3.12Å; S997-Q999 VanDerWaalsContact C-N 3.29Å; S997-Q999 PolarHBondContact O-N 3.41Å; S997-E1000 PolarHBondContact O-N 3.45Å; S997-I1001 WeakPolarHBondContact O-CB 3.45Å; S997-I1001 VanDerWaalsContact O-CG1 3.24Å; S997-I1001 WeakPolarHBondContact O-CG1 3.26Å; S997-I1001 PolarHBondContact O-N 2.91Å |
| 998 | A | 88.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.9 | -30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M994 G996 R1002 | M994-A998 PolarHBondContact O-N 3.4Å; G996-A998 VanDerWaalsContact C-N 3.29Å; G996-A998 PolarHBondContact O-N 2.65Å; A998-R1002 WeakPolarHBondContact O-CG 3.4Å; A998-R1002 PolarHBondContact O-N 3.36Å |
| 999 | Q | 88.1 | Confident | 88.8 | Confident | 51 Ų | 51 | 26.5 Ų | 26.5 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 173.3 | -176.4 | 174.2 | 2 | 0 | 0 | 111.5 | I846 S995 G996 S997 R1002 Y1003 | I846-Q999 HydrophobicContact CD1-CG 4.42Å; I846-Q999 HydrophobicContact CG2-CB 4.13Å; I846-Q999 HydrophobicContact CG2-CG 4.22Å; S995-Q999 WeakPolarHBondContact O-CB 3.48Å; S995-Q999 PolarHBondContact O-N 3.11Å; G996-Q999 WeakPolarHBondContact O-CA 3.49Å; G996-Q999 WeakPolarHBondContact O-CB 3.37Å; G996-Q999 PolarHBondContact O-N 2.84Å; S997-Q999 VanDerWaalsContact C-N 3.29Å; S997-Q999 PolarHBondContact O-N 3.41Å; Q999-R1002 WeakPolarHBondContact O-CB 3.44Å; Q999-R1002 PolarHBondContact O-N 3.24Å; Q999-Y1003 HydrophobicContact CG-CD2 4.42Å; Q999-Y1003 HydrophobicContact CG-CE2 3.98Å; Q999-Y1003 WeakPolarHBondContact O-CD2 3.32Å; Q999-Y1003 PolarHBondContact O-N 2.89Å |
| 1000 | E | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.5 | -164 | 156.1 | -176.9 | 0 | 0 | 111.2 | W841 P843 I846 S913 M917 G996 S997 R1002 Y1003 I1004 | W841-E1000 HydrophobicContact CH2-CG 3.81Å; W841-E1000 HydrophobicContact CZ3-CG 3.96Å; P843-E1000 VanDerWaalsContact CB-OE1 3.25Å; P843-E1000 WeakPolarHBondContact CB-OE1 3.5Å; I846-E1000 VanDerWaalsContact CD1-CA 3.41Å; I846-E1000 HydrophobicContact CD1-CB 3.71Å; I846-E1000 HydrophobicContact CD1-CG 3.94Å; S913-E1000 VanDerWaalsContact C-OE1 3.27Å; S913-E1000 WeakPolarHBondContact CA-OE1 3.42Å; S913-E1000 WeakPolarHBondContact CB-OE1 3.28Å; M917-E1000 WeakPolarHBondContact CG-OE2 3.25Å; M917-E1000 HydrophobicContact SD-CB 4.37Å; M917-E1000 HydrophobicContact SD-CG 4.46Å; G996-E1000 PolarHBondContact O-N 2.74Å; S997-E1000 PolarHBondContact O-N 3.45Å; E1000-R1002 VanDerWaalsContact C-N 3.32Å; E1000-R1002 PolarHBondContact O-N 3.38Å; E1000-Y1003 WeakPolarHBondContact O-CB 3.36Å; E1000-Y1003 PolarHBondContact O-N 3.39Å; E1000-I1004 WeakPolarHBondContact O-CG1 3.32Å; E1000-I1004 PolarHBondContact O-N 3.27Å |
| 1001 | I | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -36.5 | 173.5 | -67.7 | -63 | 0 | 0 | 0 | 112.7 | L873 Y914 F982 F985 Y986 S997 Y1003 I1004 N1005 | L873-I1001 HydrophobicContact CD1-CD1 4.12Å; Y914-I1001 HydrophobicContact CE1-CD1 4.1Å; F982-I1001 HydrophobicContact CB-CG2 3.57Å; F982-I1001 HydrophobicContact CD1-CD1 4.01Å; F982-I1001 HydrophobicContact CD1-CG2 3.37Å; F982-I1001 HydrophobicContact CD2-CG2 4.46Å; F982-I1001 HydrophobicContact CE1-CD1 4.08Å; F982-I1001 HydrophobicContact CE1-CG2 4.15Å; F982-I1001 HydrophobicContact CG-CG2 3.55Å; F985-I1001 HydrophobicContact CB-CB 4.33Å; F985-I1001 HydrophobicContact CB-CG1 4.03Å; F985-I1001 HydrophobicContact CB-CG2 4.31Å; F985-I1001 HydrophobicContact CD1-CG1 4.06Å; F985-I1001 HydrophobicContact CD2-CD1 4.11Å; F985-I1001 HydrophobicContact CD2-CG1 3.85Å; F985-I1001 HydrophobicContact CE1-CG1 4.46Å; F985-I1001 HydrophobicContact CE2-CD1 4.14Å; F985-I1001 HydrophobicContact CE2-CG1 4.3Å; F985-I1001 HydrophobicContact CG-CD1 4.45Å; F985-I1001 HydrophobicContact CG-CG1 3.73Å; F985-I1001 HydrophobicContact CZ-CD1 4.48Å; Y986-I1001 HydrophobicContact CE1-CB 4.48Å; Y986-I1001 HydrophobicContact CE1-CG2 3.79Å; S997-I1001 WeakPolarHBondContact O-CB 3.45Å; S997-I1001 VanDerWaalsContact O-CG1 3.24Å; S997-I1001 WeakPolarHBondContact O-CG1 3.26Å; S997-I1001 PolarHBondContact O-N 2.91Å; I1001-Y1003 VanDerWaalsContact C-N 3.28Å; I1001-Y1003 PolarHBondContact O-N 2.89Å; I1001-I1004 HydrophobicContact CD1-CD1 4.3Å; I1001-I1004 PolarHBondContact O-N 2.76Å; I1001-N1005 VanDerWaalsContact O-CB 3.24Å; I1001-N1005 WeakPolarHBondContact O-CB 3.42Å; I1001-N1005 PolarHBondContact O-N 2.97Å |
| 1002 | R | 88.3 | Confident | 90.1 | Very high | 17 Ų | 17 | 19.2 Ų | 19.2 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 173.2 | -84.8 | -175 | -77.9 | -83.7 | -1.9 | 112.2 | Y986 A998 Q999 E1000 R1006 Y1106 | Y986-R1002 HydrophobicContact CD1-CG 4.48Å; Y986-R1002 HydrophobicContact CE1-CG 3.65Å; A998-R1002 WeakPolarHBondContact O-CG 3.4Å; A998-R1002 PolarHBondContact O-N 3.36Å; Q999-R1002 WeakPolarHBondContact O-CB 3.44Å; Q999-R1002 PolarHBondContact O-N 3.24Å; E1000-R1002 VanDerWaalsContact C-N 3.32Å; E1000-R1002 PolarHBondContact O-N 3.38Å; R1002-R1006 PolarHBondContact O-N 3.01Å; R1002-R1006 VanDerWaalsContact O-N 3.13Å; R1002-Y1106 WeakPolarHBondContact CD-O 3.48Å; R1002-Y1106 WeakPolarHBondContact CG-O 3.27Å; R1002-Y1106 PolarHBondContact NH1-O 3.28Å |
| 1003 | Y | 90.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 18.1 Ų | 18.1 | 13% | 0.125 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72 | -43.1 | -178.7 | -78.4 | -141.1 | 0 | 0 | 0 | 110.3 | W841 I846 Q999 E1000 I1001 R1006 D1007 | W841-Y1003 HydrophobicContact CB-CD1 3.81Å; W841-Y1003 HydrophobicContact CB-CE1 4.21Å; W841-Y1003 AromaticContact CD2-CD1 3.62Å; W841-Y1003 HydrophobicContact CD2-CD1 3.62Å; W841-Y1003 HydrophobicContact CD2-CG 4.23Å; W841-Y1003 AromaticContact CE3-CD1 3.75Å; W841-Y1003 HydrophobicContact CE3-CD1 3.75Å; W841-Y1003 HydrophobicContact CE3-CG 4.36Å; W841-Y1003 AromaticContact CG-CD1 3.65Å; W841-Y1003 HydrophobicContact CG-CD1 3.65Å; W841-Y1003 HydrophobicContact CZ3-CD1 4.5Å; I846-Y1003 HydrophobicContact CD1-CD1 4.36Å; I846-Y1003 HydrophobicContact CD1-CG 4.41Å; Q999-Y1003 HydrophobicContact CG-CD2 4.42Å; Q999-Y1003 HydrophobicContact CG-CE2 3.98Å; Q999-Y1003 WeakPolarHBondContact O-CD2 3.32Å; Q999-Y1003 PolarHBondContact O-N 2.89Å; E1000-Y1003 WeakPolarHBondContact O-CB 3.36Å; E1000-Y1003 PolarHBondContact O-N 3.39Å; I1001-Y1003 VanDerWaalsContact C-N 3.28Å; I1001-Y1003 PolarHBondContact O-N 2.89Å; Y1003-R1006 WeakPolarHBondContact O-CB 3.34Å; Y1003-R1006 PolarHBondContact O-N 3.42Å; Y1003-D1007 PolarHBondContact O-N 2.8Å |
| 1004 | I | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 171.4 | -65 | 172.1 | 0 | 0 | 0 | 110.1 | W841 Y914 F982 E1000 I1001 R1006 D1007 E1008 | W841-I1004 HydrophobicContact CH2-CD1 4.43Å; W841-I1004 HydrophobicContact CH2-CG1 3.85Å; W841-I1004 HydrophobicContact CZ2-CG1 3.6Å; Y914-I1004 HydrophobicContact CD1-CD1 4.46Å; Y914-I1004 HydrophobicContact CE1-CD1 3.75Å; F982-I1004 HydrophobicContact CE1-CG2 4.09Å; F982-I1004 HydrophobicContact CZ-CB 4.49Å; F982-I1004 HydrophobicContact CZ-CG2 3.63Å; E1000-I1004 WeakPolarHBondContact O-CG1 3.32Å; E1000-I1004 PolarHBondContact O-N 3.27Å; I1001-I1004 HydrophobicContact CD1-CD1 4.3Å; I1001-I1004 PolarHBondContact O-N 2.76Å; I1004-R1006 VanDerWaalsContact C-N 3.26Å; I1004-R1006 PolarHBondContact O-N 2.79Å; I1004-D1007 CarbonylContact O-C 3.4Å; I1004-D1007 WeakPolarHBondContact O-CA 3.33Å; I1004-D1007 WeakPolarHBondContact O-CB 3.19Å; I1004-D1007 PolarHBondContact O-N 2.96Å; I1004-E1008 HydrophobicContact CG2-CG 4.08Å; I1004-E1008 PolarHBondContact O-N 2.66Å |
| 1005 | N | 90.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 7% | 0.07 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -36.2 | -179.8 | -176.2 | 45.1 | 0 | 0 | 0 | 113.5 | F982 Y986 I1001 D1007 E1008 N1009 | F982-N1005 HydrophobicContact CD2-CB 3.62Å; F982-N1005 WeakPolarHBondContact CD2-OD1 3.2Å; F982-N1005 HydrophobicContact CE2-CB 3.7Å; F982-N1005 HydrophobicContact CG-CB 4.49Å; Y986-N1005 VanDerWaalsContact OH-CB 3.28Å; Y986-N1005 WeakPolarHBondContact OH-CB 3.32Å; Y986-N1005 PolarHBondContact OH-ND2 2.9Å; I1001-N1005 VanDerWaalsContact O-CB 3.24Å; I1001-N1005 WeakPolarHBondContact O-CB 3.42Å; I1001-N1005 PolarHBondContact O-N 2.97Å; N1005-D1007 VanDerWaalsContact C-N 3.27Å; N1005-D1007 PolarHBondContact O-N 3.31Å; N1005-E1008 PolarHBondContact O-N 2.95Å; N1005-N1009 PolarHBondContact O-N 3.47Å |
| 1006 | R | 87.9 | Confident | 91.6 | Very high | 65 Ų | 65 | 16.6 Ų | 16.6 | 25% | 0.245 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.3 | -34.5 | 174.5 | -174.8 | -165.4 | 58.6 | -167.4 | -12 | 111.7 | N839 R1002 Y1003 I1004 | N839-R1006 PolarHBondContact ND2-O 3.49Å; N839-R1006 PolarHBondContact O-NH2 3.46Å; N839-R1006 WeakPolarHBondContact OD1-CD 3.29Å; N839-R1006 PolarHBondContact OD1-NE 3.31Å; R1002-R1006 PolarHBondContact O-N 3.01Å; R1002-R1006 VanDerWaalsContact O-N 3.13Å; Y1003-R1006 WeakPolarHBondContact O-CB 3.34Å; Y1003-R1006 PolarHBondContact O-N 3.42Å; I1004-R1006 VanDerWaalsContact C-N 3.26Å; I1004-R1006 PolarHBondContact O-N 2.79Å |
| 1007 | D | 92.5 | Very high | 92 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -74.4 | -44.4 | 174.3 | -67 | -25.3 | 0 | 0 | 0 | 110.9 | N839 W841 Q906 H910 Y1003 I1004 N1005 N1009 T1010 H1011 | N839-D1007 WeakPolarHBondContact CB-OD1 3.36Å; N839-D1007 PolarHBondContact ND2-OD1 2.85Å; W841-D1007 PolarHBondContact NE1-OD2 2.9Å; Q906-D1007 VanDerWaalsContact NE2-CG 3.3Å; Q906-D1007 PolarHBondContact NE2-OD1 2.74Å; H910-D1007 WeakPolarHBondContact NE2-CB 3.32Å; H910-D1007 IonicContact NE2-OD2 3.72Å; Y1003-D1007 PolarHBondContact O-N 2.8Å; I1004-D1007 CarbonylContact O-C 3.4Å; I1004-D1007 WeakPolarHBondContact O-CA 3.33Å; I1004-D1007 WeakPolarHBondContact O-CB 3.19Å; I1004-D1007 PolarHBondContact O-N 2.96Å; N1005-D1007 VanDerWaalsContact C-N 3.27Å; N1005-D1007 PolarHBondContact O-N 3.31Å; D1007-N1009 PolarHBondContact O-N 3.32Å; D1007-T1010 WeakPolarHBondContact O-CA 3.4Å; D1007-T1010 WeakPolarHBondContact O-CB 3.31Å; D1007-T1010 PolarHBondContact O-N 3.4Å; D1007-T1010 PolarHBondContact O-OG1 3.49Å; D1007-H1011 PolarHBondContact O-CD2 3.39Å; D1007-H1011 PolarHBondContact O-N 2.69Å; D1007-H1011 VanDerWaalsContact O-N 3.08Å |
| 1008 | E | 91.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.4 | -32.3 | 176 | -63.5 | -48.6 | 153.2 | 0 | 0 | 113.6 | H910 E974 F978 F982 I1004 N1005 T1010 H1011 L1012 | H910-E1008 IonicContact CE1-OE1 3.62Å; H910-E1008 PolarHBondContact CE1-OE1 3.45Å; H910-E1008 IonicContact ND1-OE1 3.43Å; H910-E1008 PolarHBondContact ND1-OE1 2.9Å; E974-E1008 VanDerWaalsContact OE2-OE2 3.08Å; F978-E1008 HydrophobicContact CB-CG 4.29Å; F978-E1008 HydrophobicContact CD2-CG 4.1Å; F978-E1008 HydrophobicContact CG-CG 4.12Å; F982-E1008 HydrophobicContact CE2-CB 4.32Å; F982-E1008 HydrophobicContact CE2-CG 3.86Å; F982-E1008 HydrophobicContact CZ-CG 3.82Å; I1004-E1008 HydrophobicContact CG2-CG 4.08Å; I1004-E1008 PolarHBondContact O-N 2.66Å; N1005-E1008 PolarHBondContact O-N 2.95Å; E1008-T1010 VanDerWaalsContact C-N 3.28Å; E1008-T1010 PolarHBondContact O-N 3.1Å; E1008-H1011 PolarHBondContact O-N 3.46Å; E1008-H1011 IonicContact OE1-ND1 3.51Å; E1008-H1011 IonicContact OE2-CE1 2.77Å; E1008-H1011 IonicContact OE2-CG 3.22Å; E1008-H1011 IonicContact OE2-ND1 2.68Å; E1008-H1011 PolarHBondContact OE2-ND1 3.37Å; E1008-L1012 VanDerWaalsContact O-CB 3.32Å; E1008-L1012 WeakPolarHBondContact O-CB 3.31Å; E1008-L1012 PolarHBondContact O-N 3.05Å |
| 1009 | N | 89.3 | Confident | 92.6 | Very high | 58 Ų | 58 | 17.5 Ų | 17.5 | 31% | 0.31 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 172.3 | -167.5 | -8.3 | 0 | 0 | 0 | 111.5 | N1005 D1007 W1013 | N1005-N1009 PolarHBondContact O-N 3.47Å; D1007-N1009 PolarHBondContact O-N 3.32Å; N1009-W1013 WeakPolarHBondContact O-CB 3.49Å; N1009-W1013 PolarHBondContact O-N 3.22Å |
| 1010 | T | 91.9 | Very high | 93 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | 173.6 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | W832 Q835 D1007 E1008 L1012 W1013 L1014 | W832-T1010 PolarHBondContact NE1-O 2.66Å; Q835-T1010 HydrophobicContact CG-CG2 4.09Å; D1007-T1010 WeakPolarHBondContact O-CA 3.4Å; D1007-T1010 WeakPolarHBondContact O-CB 3.31Å; D1007-T1010 PolarHBondContact O-N 3.4Å; D1007-T1010 PolarHBondContact O-OG1 3.49Å; E1008-T1010 VanDerWaalsContact C-N 3.28Å; E1008-T1010 PolarHBondContact O-N 3.1Å; T1010-L1012 PolarHBondContact O-N 2.9Å; T1010-W1013 PolarHBondContact O-N 3.19Å; T1010-L1014 PolarHBondContact O-N 2.9Å |
| 1011 | H | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 177.5 | -55.4 | 170.8 | 0 | 0 | 0 | 111.7 | Q903 Q906 E907 H910 E974 D1007 E1008 W1013 L1014 F1015 | Q903-H1011 HydrophobicContact CG-CB 4.44Å; Q903-H1011 VanDerWaalsContact CG-CD2 3.5Å; Q903-H1011 WeakPolarHBondContact CG-CD2 3.5Å; Q906-H1011 PolarHBondContact OE1-NE2 3.05Å; E907-H1011 IonicContact OE1-CE1 3Å; E907-H1011 PolarHBondContact OE1-CE1 3.41Å; E907-H1011 VanDerWaalsContact OE1-CE1 3.3Å; E907-H1011 IonicContact OE1-ND1 3.5Å; E907-H1011 PolarHBondContact OE1-ND1 2.93Å; E907-H1011 VanDerWaalsContact OE1-ND1 3.12Å; H910-H1011 AromaticContact CE1-CE1 3.62Å; E974-H1011 HydrophobicContact CB-CB 4.47Å; E974-H1011 HydrophobicContact CG-CB 3.81Å; D1007-H1011 PolarHBondContact O-CD2 3.39Å; D1007-H1011 PolarHBondContact O-N 2.69Å; D1007-H1011 VanDerWaalsContact O-N 3.08Å; E1008-H1011 PolarHBondContact O-N 3.46Å; E1008-H1011 IonicContact OE1-ND1 3.51Å; E1008-H1011 IonicContact OE2-CE1 2.77Å; E1008-H1011 IonicContact OE2-CG 3.22Å; E1008-H1011 IonicContact OE2-ND1 2.68Å; E1008-H1011 PolarHBondContact OE2-ND1 3.37Å; H1011-W1013 VanDerWaalsContact C-N 3.32Å; H1011-W1013 PolarHBondContact O-N 2.91Å; H1011-L1014 VanDerWaalsContact O-CB 3.31Å; H1011-L1014 WeakPolarHBondContact O-CB 3.04Å; H1011-L1014 PolarHBondContact O-N 3.24Å; H1011-L1014 VanDerWaalsContact O-N 3.12Å; H1011-F1015 WeakPolarHBondContact O-CD2 3.28Å; H1011-F1015 PolarHBondContact O-N 3.1Å; H1011-F1015 VanDerWaalsContact O-N 3.17Å |
| 1012 | L | 92.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 174.1 | 179.4 | 67.1 | 0 | 0 | 0 | 111.8 | Y971 E974 G975 E1008 T1010 L1014 F1015 R1016 | Y971-L1012 HydrophobicContact CD2-CD1 3.42Å; Y971-L1012 VanDerWaalsContact CD2-CD1 3.42Å; Y971-L1012 HydrophobicContact CD2-CG 4.46Å; Y971-L1012 HydrophobicContact CE2-CD1 3.24Å; Y971-L1012 HydrophobicContact CE2-CG 4Å; Y971-L1012 HydrophobicContact CG-CD1 4.36Å; E974-L1012 HydrophobicContact CB-CB 4.12Å; E974-L1012 HydrophobicContact CB-CD1 4.32Å; G975-L1012 VanDerWaalsContact CA-CD1 3.48Å; E1008-L1012 VanDerWaalsContact O-CB 3.32Å; E1008-L1012 WeakPolarHBondContact O-CB 3.31Å; E1008-L1012 PolarHBondContact O-N 3.05Å; T1010-L1012 PolarHBondContact O-N 2.9Å; L1012-L1014 VanDerWaalsContact C-N 3.29Å; L1012-L1014 PolarHBondContact O-N 3.41Å; L1012-F1015 PolarHBondContact O-N 2.71Å; L1012-R1016 WeakPolarHBondContact O-CB 3.41Å; L1012-R1016 PolarHBondContact O-N 3.33Å |
| 1013 | W | 92.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 19.7 Ų | 19.7 | 13% | 0.133 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 178.1 | -175.3 | 33.5 | 0 | 0 | 0 | 112.1 | W828 D831 W832 N1009 T1010 H1011 R1016 N1017 L1130 | W828-W1013 HydrophobicContact CB-CZ2 4.08Å; D831-W1013 HydrophobicContact CB-CH2 3.98Å; W832-W1013 HydrophobicContact CB-CE3 4.01Å; W832-W1013 HydrophobicContact CB-CH2 4.01Å; W832-W1013 HydrophobicContact CB-CZ3 3.56Å; W832-W1013 AromaticContact CD1-CD2 3.91Å; W832-W1013 AromaticContact CD1-CE3 3.34Å; W832-W1013 AromaticContact CD1-CZ3 3.85Å; W832-W1013 HydrophobicContact CG-CE3 4.02Å; W832-W1013 HydrophobicContact CG-CZ3 4.07Å; N1009-W1013 WeakPolarHBondContact O-CB 3.49Å; N1009-W1013 PolarHBondContact O-N 3.22Å; T1010-W1013 PolarHBondContact O-N 3.19Å; H1011-W1013 VanDerWaalsContact C-N 3.32Å; H1011-W1013 PolarHBondContact O-N 2.91Å; W1013-R1016 PolarHBondContact O-N 3.46Å; W1013-N1017 VanDerWaalsContact CE2-ND2 3.3Å; W1013-N1017 PolarHBondContact NE1-ND2 3.47Å; W1013-N1017 PolarHBondContact NE1-OD1 3.09Å; W1013-N1017 VanDerWaalsContact O-CG 3.29Å; W1013-N1017 PolarHBondContact O-N 3.43Å; W1013-N1017 PolarHBondContact O-ND2 3.42Å; W1013-L1130 HydrophobicContact CH2-CD1 4.5Å; W1013-L1130 HydrophobicContact CZ3-CD1 4.41Å |
| 1014 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59 | -54.4 | 176.3 | -178.6 | 56.1 | 0 | 0 | 0 | 111.2 | W828 W832 V896 C899 L900 T1010 H1011 L1012 R1016 N1017 I1018 | W828-L1014 HydrophobicContact CH2-CD1 3.61Å; W828-L1014 HydrophobicContact CZ3-CD1 3.66Å; W832-L1014 HydrophobicContact CZ2-CB 4.3Å; W832-L1014 HydrophobicContact CZ2-CD2 4.09Å; V896-L1014 HydrophobicContact CG1-CD1 4.39Å; C899-L1014 HydrophobicContact CB-CD1 3.65Å; C899-L1014 HydrophobicContact CB-CD2 3.83Å; C899-L1014 HydrophobicContact CB-CG 4.41Å; L900-L1014 HydrophobicContact CD2-CD2 3.9Å; L900-L1014 HydrophobicContact CG-CD2 4.36Å; T1010-L1014 PolarHBondContact O-N 2.9Å; H1011-L1014 VanDerWaalsContact O-CB 3.31Å; H1011-L1014 WeakPolarHBondContact O-CB 3.04Å; H1011-L1014 PolarHBondContact O-N 3.24Å; H1011-L1014 VanDerWaalsContact O-N 3.12Å; L1012-L1014 VanDerWaalsContact C-N 3.29Å; L1012-L1014 PolarHBondContact O-N 3.41Å; L1014-R1016 PolarHBondContact O-N 2.9Å; L1014-N1017 PolarHBondContact O-N 3.34Å; L1014-I1018 HydrophobicContact CD1-CD1 3.95Å; L1014-I1018 HydrophobicContact CD1-CG1 4.31Å; L1014-I1018 HydrophobicContact CG-CD1 3.93Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; L1014-I1018 PolarHBondContact O-N 3.33Å |
| 1015 | F | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -36.6 | -178.8 | -63.6 | -62.3 | 0 | 0 | 0 | 112.6 | L884 L900 Q903 M967 N970 Y971 E974 H1011 L1012 N1017 I1018 I1019 | L884-F1015 HydrophobicContact CD2-CZ 3.91Å; L900-F1015 HydrophobicContact CD2-CE1 4.42Å; Q903-F1015 VanDerWaalsContact OE1-CZ 3.31Å; M967-F1015 HydrophobicContact CE-CD1 4.36Å; M967-F1015 HydrophobicContact CE-CE1 4.2Å; M967-F1015 HydrophobicContact SD-CD1 3.88Å; M967-F1015 HydrophobicContact SD-CE1 4.2Å; N970-F1015 HydrophobicContact CB-CD1 3.92Å; N970-F1015 HydrophobicContact CB-CD2 3.75Å; N970-F1015 HydrophobicContact CB-CE1 3.85Å; N970-F1015 HydrophobicContact CB-CE2 3.66Å; N970-F1015 HydrophobicContact CB-CG 3.9Å; N970-F1015 HydrophobicContact CB-CZ 3.73Å; N970-F1015 VanDerWaalsContact ND2-CE1 3.25Å; N970-F1015 WeakPolarHBondContact ND2-CE1 3.38Å; N970-F1015 WeakPolarHBondContact ND2-CZ 3.47Å; Y971-F1015 HydrophobicContact CD2-CB 4.17Å; E974-F1015 HydrophobicContact CG-CD2 3.79Å; E974-F1015 HydrophobicContact CG-CE2 3.82Å; H1011-F1015 WeakPolarHBondContact O-CD2 3.28Å; H1011-F1015 PolarHBondContact O-N 3.1Å; H1011-F1015 VanDerWaalsContact O-N 3.17Å; L1012-F1015 PolarHBondContact O-N 2.71Å; F1015-N1017 VanDerWaalsContact C-N 3.31Å; F1015-N1017 PolarHBondContact O-N 3.43Å; F1015-I1018 HydrophobicContact CD1-CD1 4.39Å; F1015-I1018 PolarHBondContact O-N 2.97Å; F1015-I1019 WeakPolarHBondContact O-CB 3.15Å; F1015-I1019 VanDerWaalsContact O-CG1 3.27Å; F1015-I1019 WeakPolarHBondContact O-CG1 3.37Å; F1015-I1019 PolarHBondContact O-N 3.3Å |
| 1016 | R | 96 | Very high | 93.7 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 25% | 0.245 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.6 | -50.5 | 171.4 | -172.8 | 178.9 | 70.6 | 179 | -1 | 111 | Y971 L1012 W1013 L1014 T1020 L1084 | Y971-R1016 HydrophobicContact CD2-CB 4.46Å; Y971-R1016 HydrophobicContact CE2-CB 3.74Å; Y971-R1016 HydrophobicContact CE2-CG 4.34Å; L1012-R1016 WeakPolarHBondContact O-CB 3.41Å; L1012-R1016 PolarHBondContact O-N 3.33Å; W1013-R1016 PolarHBondContact O-N 3.46Å; L1014-R1016 PolarHBondContact O-N 2.9Å; R1016-T1020 WeakPolarHBondContact O-CB 3.43Å; R1016-T1020 PolarHBondContact O-N 3.21Å; R1016-T1020 PolarHBondContact O-OG1 3.15Å; R1016-L1084 HydrophobicContact CG-CD2 4.04Å |
| 1017 | N | 96.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.5 | -40.7 | -178.6 | -67.5 | -37.1 | 0 | 0 | 0 | 111.9 | W828 W1013 L1014 F1015 I1019 T1020 E1021 | W828-N1017 HydrophobicContact CD2-CB 3.74Å; W828-N1017 VanDerWaalsContact CE2-CB 3.44Å; W828-N1017 HydrophobicContact CE3-CB 4.03Å; W828-N1017 HydrophobicContact CG-CB 4.38Å; W828-N1017 HydrophobicContact CH2-CB 3.85Å; W828-N1017 HydrophobicContact CZ2-CB 3.52Å; W828-N1017 HydrophobicContact CZ3-CB 4.08Å; W1013-N1017 VanDerWaalsContact CE2-ND2 3.3Å; W1013-N1017 PolarHBondContact NE1-ND2 3.47Å; W1013-N1017 PolarHBondContact NE1-OD1 3.09Å; W1013-N1017 VanDerWaalsContact O-CG 3.29Å; W1013-N1017 PolarHBondContact O-N 3.43Å; W1013-N1017 PolarHBondContact O-ND2 3.42Å; L1014-N1017 PolarHBondContact O-N 3.34Å; F1015-N1017 VanDerWaalsContact C-N 3.31Å; F1015-N1017 PolarHBondContact O-N 3.43Å; N1017-I1019 VanDerWaalsContact C-N 3.35Å; N1017-I1019 PolarHBondContact O-N 2.72Å; N1017-T1020 PolarHBondContact O-N 3.02Å; N1017-E1021 WeakPolarHBondContact O-CB 3.42Å; N1017-E1021 WeakPolarHBondContact O-CG 3.39Å; N1017-E1021 PolarHBondContact O-N 2.71Å |
| 1018 | I | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.9 | -68 | 168.3 | 0 | 0 | 0 | 110.5 | M810 V896 M967 L1014 F1015 T1020 E1021 L1022 | M810-I1018 HydrophobicContact CE-CB 4.47Å; M810-I1018 HydrophobicContact CE-CG1 4.23Å; M810-I1018 HydrophobicContact CE-CG2 4.42Å; M810-I1018 HydrophobicContact CG-CG2 4.32Å; M810-I1018 HydrophobicContact SD-CG1 4.32Å; M810-I1018 HydrophobicContact SD-CG2 4.21Å; V896-I1018 HydrophobicContact CG1-CD1 3.84Å; V896-I1018 HydrophobicContact CG1-CG1 4.04Å; M967-I1018 HydrophobicContact CG-CG2 4.13Å; M967-I1018 HydrophobicContact SD-CB 4.45Å; M967-I1018 HydrophobicContact SD-CD1 4.35Å; M967-I1018 HydrophobicContact SD-CG2 3.73Å; L1014-I1018 HydrophobicContact CD1-CD1 3.95Å; L1014-I1018 HydrophobicContact CD1-CG1 4.31Å; L1014-I1018 HydrophobicContact CG-CD1 3.93Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; L1014-I1018 PolarHBondContact O-N 3.33Å; F1015-I1018 HydrophobicContact CD1-CD1 4.39Å; F1015-I1018 PolarHBondContact O-N 2.97Å; I1018-T1020 VanDerWaalsContact C-N 3.33Å; I1018-T1020 PolarHBondContact O-N 3.13Å; I1018-E1021 PolarHBondContact O-N 3.05Å; I1018-L1022 HydrophobicContact CG2-CD1 4.06Å; I1018-L1022 HydrophobicContact CG2-CG 4.47Å; I1018-L1022 WeakPolarHBondContact O-CB 3.44Å; I1018-L1022 WeakPolarHBondContact O-CG 3.35Å; I1018-L1022 PolarHBondContact O-N 2.86Å |
| 1019 | I | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.9 | -66.2 | 166.7 | 0 | 0 | 0 | 110.4 | M967 M968 Y971 F1015 N1017 E1021 L1022 Q1023 F1030 L1084 | M967-I1019 HydrophobicContact CB-CD1 4.17Å; M967-I1019 HydrophobicContact CB-CG1 3.81Å; M968-I1019 HydrophobicContact SD-CD1 4.43Å; Y971-I1019 HydrophobicContact CG-CD1 4.25Å; F1015-I1019 WeakPolarHBondContact O-CB 3.15Å; F1015-I1019 VanDerWaalsContact O-CG1 3.27Å; F1015-I1019 WeakPolarHBondContact O-CG1 3.37Å; F1015-I1019 PolarHBondContact O-N 3.3Å; N1017-I1019 VanDerWaalsContact C-N 3.35Å; N1017-I1019 PolarHBondContact O-N 2.72Å; I1019-E1021 PolarHBondContact O-N 3.02Å; I1019-L1022 PolarHBondContact O-N 3.47Å; I1019-Q1023 WeakPolarHBondContact O-CG 3.25Å; I1019-Q1023 PolarHBondContact O-N 3.15Å; I1019-F1030 HydrophobicContact CG2-CE1 4.1Å; I1019-F1030 HydrophobicContact CG2-CZ 4.26Å; I1019-L1084 HydrophobicContact CB-CD2 4.17Å; I1019-L1084 HydrophobicContact CD1-CD2 4.38Å; I1019-L1084 HydrophobicContact CG2-CD1 4.48Å; I1019-L1084 HydrophobicContact CG2-CD2 3.94Å |
| 1020 | T | 95.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | -179.9 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | R1016 N1017 I1018 Q1023 K1024 | R1016-T1020 WeakPolarHBondContact O-CB 3.43Å; R1016-T1020 PolarHBondContact O-N 3.21Å; R1016-T1020 PolarHBondContact O-OG1 3.15Å; N1017-T1020 PolarHBondContact O-N 3.02Å; I1018-T1020 VanDerWaalsContact C-N 3.33Å; I1018-T1020 PolarHBondContact O-N 3.13Å; T1020-Q1023 WeakPolarHBondContact O-CB 3.5Å; T1020-Q1023 PolarHBondContact O-N 3.29Å; T1020-K1024 WeakPolarHBondContact O-CG 3.33Å; T1020-K1024 PolarHBondContact O-N 3.41Å |
| 1021 | E | 96.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.4 | -37 | 174.3 | -67.4 | -53 | 139.7 | 0 | 0 | 111.6 | M810 Y826 N1017 I1018 I1019 Q1023 K1024 E1025 | M810-E1021 HydrophobicContact CE-CB 3.67Å; M810-E1021 HydrophobicContact CE-CG 4.14Å; Y826-E1021 HydrophobicContact CD1-CB 4.45Å; Y826-E1021 HydrophobicContact CD1-CG 3.74Å; Y826-E1021 HydrophobicContact CE1-CB 4.09Å; Y826-E1021 HydrophobicContact CE1-CG 3.87Å; N1017-E1021 WeakPolarHBondContact O-CB 3.42Å; N1017-E1021 WeakPolarHBondContact O-CG 3.39Å; N1017-E1021 PolarHBondContact O-N 2.71Å; I1018-E1021 PolarHBondContact O-N 3.05Å; I1019-E1021 PolarHBondContact O-N 3.02Å; E1021-Q1023 VanDerWaalsContact C-N 3.32Å; E1021-Q1023 PolarHBondContact O-N 3.14Å; E1021-K1024 PolarHBondContact O-N 3.41Å; E1021-K1024 VanDerWaalsContact O-N 3.13Å; E1021-K1024 IonicContact OE1-NZ 3.48Å; E1021-K1024 PolarHBondContact OE1-NZ 3.01Å; E1021-K1024 IonicContact OE2-NZ 3.1Å; E1021-E1025 WeakPolarHBondContact O-CB 3.35Å; E1021-E1025 WeakPolarHBondContact O-CG 3.44Å; E1021-E1025 PolarHBondContact O-N 3.48Å |
| 1022 | L | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 171.8 | -72.4 | 172.9 | 0 | 0 | 0 | 111.9 | M810 I811 I1018 I1019 K1024 E1025 Q1026 F1030 | M810-L1022 HydrophobicContact CB-CD2 4.06Å; M810-L1022 HydrophobicContact CG-CD2 3.93Å; M810-L1022 HydrophobicContact CG-CG 4.19Å; I811-L1022 HydrophobicContact CD1-CD2 4.32Å; I811-L1022 HydrophobicContact CG1-CD2 4.33Å; I1018-L1022 HydrophobicContact CG2-CD1 4.06Å; I1018-L1022 HydrophobicContact CG2-CG 4.47Å; I1018-L1022 WeakPolarHBondContact O-CB 3.44Å; I1018-L1022 WeakPolarHBondContact O-CG 3.35Å; I1018-L1022 PolarHBondContact O-N 2.86Å; I1019-L1022 PolarHBondContact O-N 3.47Å; L1022-K1024 PolarHBondContact O-N 3.5Å; L1022-E1025 PolarHBondContact O-N 2.85Å; L1022-Q1026 HydrophobicContact CD2-CG 4.26Å; L1022-Q1026 CarbonylContact O-C 3.03Å; L1022-Q1026 WeakPolarHBondContact O-CA 3.39Å; L1022-Q1026 WeakPolarHBondContact O-CB 3.49Å; L1022-Q1026 PolarHBondContact O-N 3.39Å; L1022-F1030 HydrophobicContact CB-CE2 3.82Å; L1022-F1030 HydrophobicContact CB-CZ 3.95Å; L1022-F1030 WeakPolarHBondContact O-CE2 3.49Å |
| 1023 | Q | 93.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 23% | 0.229 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -34.6 | 173.7 | -75.6 | 172.3 | -33.6 | 0 | 0 | 112.1 | I1019 T1020 E1021 F1030 L1084 Y1086 | I1019-Q1023 WeakPolarHBondContact O-CG 3.25Å; I1019-Q1023 PolarHBondContact O-N 3.15Å; T1020-Q1023 WeakPolarHBondContact O-CB 3.5Å; T1020-Q1023 PolarHBondContact O-N 3.29Å; E1021-Q1023 VanDerWaalsContact C-N 3.32Å; E1021-Q1023 PolarHBondContact O-N 3.14Å; Q1023-F1030 VanDerWaalsContact CA-CE2 3.48Å; Q1023-F1030 HydrophobicContact CB-CD2 4.35Å; Q1023-F1030 HydrophobicContact CB-CE2 4.26Å; Q1023-F1030 HydrophobicContact CB-CZ 4.36Å; Q1023-F1030 HydrophobicContact CG-CD1 3.59Å; Q1023-F1030 HydrophobicContact CG-CD2 3.99Å; Q1023-F1030 HydrophobicContact CG-CE1 3.41Å; Q1023-F1030 VanDerWaalsContact CG-CE1 3.41Å; Q1023-F1030 HydrophobicContact CG-CE2 3.87Å; Q1023-F1030 HydrophobicContact CG-CG 3.86Å; Q1023-F1030 HydrophobicContact CG-CZ 3.55Å; Q1023-F1030 VanDerWaalsContact N-CE2 3.31Å; Q1023-L1084 PolarHBondContact NE2-O 3.39Å; Q1023-Y1086 PolarHBondContact NE2-OH 2.86Å |
| 1024 | K | 92.6 | Very high | 93.2 | Very high | 132 Ų | 132 | 47.3 Ų | 47.3 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -81.8 | -42.9 | 178.6 | -61.8 | 169.4 | -164.8 | 165.2 | 0 | 112.4 | T1020 E1021 L1022 | T1020-K1024 WeakPolarHBondContact O-CG 3.33Å; T1020-K1024 PolarHBondContact O-N 3.41Å; E1021-K1024 PolarHBondContact O-N 3.41Å; E1021-K1024 VanDerWaalsContact O-N 3.13Å; E1021-K1024 IonicContact OE1-NZ 3.48Å; E1021-K1024 PolarHBondContact OE1-NZ 3.01Å; E1021-K1024 IonicContact OE2-NZ 3.1Å; L1022-K1024 PolarHBondContact O-N 3.5Å |
| 1025 | E | 91 | Very high | 93.1 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -87.2 | -25.2 | -172 | -67.5 | -169.2 | 176.8 | 0 | 0 | 114.2 | R809 M810 K825 Y826 E1021 L1022 | R809-E1025 WeakPolarHBondContact CA-OE2 3.45Å; M810-E1025 PolarHBondContact N-OE2 2.98Å; K825-E1025 WeakPolarHBondContact CE-OE1 3.46Å; K825-E1025 IonicContact NZ-OE1 3.74Å; K825-E1025 PolarHBondContact NZ-OE1 3.44Å; Y826-E1025 PolarHBondContact OH-OE1 2.84Å; Y826-E1025 PolarHBondContact OH-OE2 3.02Å; E1021-E1025 WeakPolarHBondContact O-CB 3.35Å; E1021-E1025 WeakPolarHBondContact O-CG 3.44Å; E1021-E1025 PolarHBondContact O-N 3.48Å; L1022-E1025 PolarHBondContact O-N 2.85Å |
| 1026 | Q | 89.4 | Confident | 93 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | trans | -136.5 | 58.2 | -173.9 | -62.8 | -71.7 | -85.9 | 0 | 0 | 110.5 | I811 L1022 E1028 L1029 F1030 | I811-Q1026 HydrophobicContact CD1-CG 4.1Å; I811-Q1026 HydrophobicContact CG1-CG 4.29Å; L1022-Q1026 HydrophobicContact CD2-CG 4.26Å; L1022-Q1026 CarbonylContact O-C 3.03Å; L1022-Q1026 WeakPolarHBondContact O-CA 3.39Å; L1022-Q1026 WeakPolarHBondContact O-CB 3.49Å; L1022-Q1026 PolarHBondContact O-N 3.39Å; Q1026-E1028 WeakPolarHBondContact CA-OE2 3.44Å; Q1026-E1028 VanDerWaalsContact CD-OE1 3.27Å; Q1026-E1028 PolarHBondContact NE2-OE1 2.99Å; Q1026-E1028 VanDerWaalsContact NE2-OE1 3.09Å; Q1026-E1028 PolarHBondContact O-N 3.38Å; Q1026-E1028 PolarHBondContact OE1-OE1 3.41Å; Q1026-L1029 HydrophobicContact CB-CB 4.48Å; Q1026-L1029 HydrophobicContact CB-CD1 3.58Å; Q1026-L1029 HydrophobicContact CB-CG 3.94Å; Q1026-L1029 HydrophobicContact CG-CD1 4.11Å; Q1026-L1029 WeakPolarHBondContact O-CB 3.28Å; Q1026-L1029 PolarHBondContact O-N 3.33Å; Q1026-F1030 WeakPolarHBondContact O-CD2 3.3Å | ||
| 1027 | P | 88.5 | Confident | 92.9 | Very high | 82 Ų | 82 | 52 Ų | 52 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -57.1 | -24.9 | -178.8 | 25.4 | -35.6 | 0 | 0 | 0 | 113.2 | L1029 F1030 | P1027-L1029 PolarHBondContact O-N 2.98Å; P1027-F1030 PolarHBondContact O-N 3.21Å |
| 1028 | E | 86.4 | Confident | 92.9 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -61.5 | -23 | 173.6 | 65.4 | -86.5 | -157 | 0 | 0 | 114.2 | Q1026 F1030 T1031 | Q1026-E1028 WeakPolarHBondContact CA-OE2 3.44Å; Q1026-E1028 VanDerWaalsContact CD-OE1 3.27Å; Q1026-E1028 PolarHBondContact NE2-OE1 2.99Å; Q1026-E1028 VanDerWaalsContact NE2-OE1 3.09Å; Q1026-E1028 PolarHBondContact O-N 3.38Å; Q1026-E1028 PolarHBondContact OE1-OE1 3.41Å; E1028-F1030 VanDerWaalsContact C-N 3.32Å; E1028-T1031 WeakPolarHBondContact O-CG2 3.23Å |
| 1029 | L | 89.6 | Confident | 92.9 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -80.7 | -14.9 | 174.5 | -62.6 | 175.1 | 0 | 0 | 0 | 112.6 | A960 P961 L964 Q1026 P1027 S1034 | A960-L1029 HydrophobicContact CB-CD1 3.87Å; A960-L1029 HydrophobicContact CB-CD2 3.91Å; P961-L1029 HydrophobicContact CG-CD2 4.01Å; L964-L1029 HydrophobicContact CD2-CB 3.94Å; Q1026-L1029 HydrophobicContact CB-CB 4.48Å; Q1026-L1029 HydrophobicContact CB-CD1 3.58Å; Q1026-L1029 HydrophobicContact CB-CG 3.94Å; Q1026-L1029 HydrophobicContact CG-CD1 4.11Å; Q1026-L1029 WeakPolarHBondContact O-CB 3.28Å; Q1026-L1029 PolarHBondContact O-N 3.33Å; P1027-L1029 PolarHBondContact O-N 2.98Å; L1029-S1034 WeakPolarHBondContact O-CB 3.44Å; L1029-S1034 PolarHBondContact O-OG 3.27Å |
| 1030 | F | 94 | Very high | 92.9 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | trans | -111.7 | 43.4 | -175.4 | -62.8 | -92.2 | 0 | 0 | 0 | 111.4 | L964 I1019 L1022 Q1023 Q1026 P1027 E1028 V1035 L1038 | L964-F1030 HydrophobicContact CD1-CE1 3.82Å; L964-F1030 HydrophobicContact CD1-CE2 4.42Å; L964-F1030 HydrophobicContact CD1-CZ 3.51Å; L964-F1030 HydrophobicContact CD2-CD1 4.43Å; L964-F1030 HydrophobicContact CD2-CE1 3.98Å; L964-F1030 HydrophobicContact CD2-CE2 4.23Å; L964-F1030 HydrophobicContact CD2-CZ 3.89Å; L964-F1030 HydrophobicContact CG-CZ 4.38Å; I1019-F1030 HydrophobicContact CG2-CE1 4.1Å; I1019-F1030 HydrophobicContact CG2-CZ 4.26Å; L1022-F1030 HydrophobicContact CB-CE2 3.82Å; L1022-F1030 HydrophobicContact CB-CZ 3.95Å; L1022-F1030 WeakPolarHBondContact O-CE2 3.49Å; Q1023-F1030 VanDerWaalsContact CA-CE2 3.48Å; Q1023-F1030 HydrophobicContact CB-CD2 4.35Å; Q1023-F1030 HydrophobicContact CB-CE2 4.26Å; Q1023-F1030 HydrophobicContact CB-CZ 4.36Å; Q1023-F1030 HydrophobicContact CG-CD1 3.59Å; Q1023-F1030 HydrophobicContact CG-CD2 3.99Å; Q1023-F1030 HydrophobicContact CG-CE1 3.41Å; Q1023-F1030 VanDerWaalsContact CG-CE1 3.41Å; Q1023-F1030 HydrophobicContact CG-CE2 3.87Å; Q1023-F1030 HydrophobicContact CG-CG 3.86Å; Q1023-F1030 HydrophobicContact CG-CZ 3.55Å; Q1023-F1030 VanDerWaalsContact N-CE2 3.31Å; Q1026-F1030 WeakPolarHBondContact O-CD2 3.3Å; P1027-F1030 PolarHBondContact O-N 3.21Å; E1028-F1030 VanDerWaalsContact C-N 3.32Å; F1030-V1035 HydrophobicContact CB-CG2 4.11Å; F1030-V1035 HydrophobicContact CD1-CG2 4.42Å; F1030-L1038 HydrophobicContact CD1-CD1 4.43Å; F1030-L1038 HydrophobicContact CE1-CD1 4.2Å | ||
| 1031 | T | 91.5 | Very high | 92.9 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | trans | -59.9 | 158.6 | 167.8 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | E1028 E1033 S1034 V1035 | E1028-T1031 WeakPolarHBondContact O-CG2 3.23Å; T1031-E1033 PolarHBondContact O-N 3.11Å; T1031-E1033 VanDerWaalsContact O-N 3.15Å; T1031-S1034 PolarHBondContact O-N 3.14Å; T1031-S1034 PolarHBondContact OG1-N 3.49Å; T1031-S1034 PolarHBondContact OG1-OG 2.98Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.44Å; T1031-V1035 PolarHBondContact O-N 2.88Å | ||
| 1032 | A | 90.1 | Very high | 93 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 74% | 0.744 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54.3 | -36.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1036 | A1032-Q1036 VanDerWaalsContact O-CB 3.26Å; A1032-Q1036 WeakPolarHBondContact O-CB 3.46Å; A1032-Q1036 PolarHBondContact O-N 3.35Å |
| 1033 | E | 91.3 | Very high | 93 | Very high | 163 Ų | 163 | 60 Ų | 60 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66 | -46.6 | 174.5 | -174.9 | 178.4 | -174.2 | 0 | 0 | 112 | T1031 Q1036 A1037 | T1031-E1033 PolarHBondContact O-N 3.11Å; T1031-E1033 VanDerWaalsContact O-N 3.15Å; E1033-Q1036 PolarHBondContact O-N 3.38Å; E1033-A1037 PolarHBondContact O-N 3.35Å |
| 1034 | S | 91.4 | Very high | 93 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | L1029 T1031 Q1036 A1037 L1038 | L1029-S1034 WeakPolarHBondContact O-CB 3.44Å; L1029-S1034 PolarHBondContact O-OG 3.27Å; T1031-S1034 PolarHBondContact O-N 3.14Å; T1031-S1034 PolarHBondContact OG1-N 3.49Å; T1031-S1034 PolarHBondContact OG1-OG 2.98Å; S1034-Q1036 VanDerWaalsContact C-N 3.29Å; S1034-Q1036 PolarHBondContact O-N 3.32Å; S1034-A1037 WeakPolarHBondContact O-CB 3.38Å; S1034-A1037 PolarHBondContact O-N 2.99Å; S1034-A1037 VanDerWaalsContact O-N 3.12Å; S1034-L1038 WeakPolarHBondContact O-CG 3.31Å; S1034-L1038 PolarHBondContact O-N 2.83Å |
| 1035 | V | 94.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.3 | 174 | 0 | 0 | 0 | 0 | 111 | F1030 T1031 L1038 R1039 W1081 Y1086 | F1030-V1035 HydrophobicContact CB-CG2 4.11Å; F1030-V1035 HydrophobicContact CD1-CG2 4.42Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.44Å; T1031-V1035 PolarHBondContact O-N 2.88Å; V1035-L1038 PolarHBondContact O-N 3.4Å; V1035-R1039 WeakPolarHBondContact O-CB 3.46Å; V1035-R1039 PolarHBondContact O-N 2.83Å; V1035-W1081 HydrophobicContact CG1-CH2 4.45Å; V1035-Y1086 HydrophobicContact CG1-CD1 4.19Å; V1035-Y1086 HydrophobicContact CG1-CE1 3.55Å; V1035-Y1086 HydrophobicContact CG2-CE1 4.42Å |
| 1036 | Q | 94.7 | Very high | 93.3 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.8 | -177.2 | 57.8 | 29.4 | 0 | 0 | 111.6 | A1032 E1033 S1034 R1039 E1040 | A1032-Q1036 VanDerWaalsContact O-CB 3.26Å; A1032-Q1036 WeakPolarHBondContact O-CB 3.46Å; A1032-Q1036 PolarHBondContact O-N 3.35Å; E1033-Q1036 PolarHBondContact O-N 3.38Å; S1034-Q1036 VanDerWaalsContact C-N 3.29Å; S1034-Q1036 PolarHBondContact O-N 3.32Å; Q1036-R1039 WeakPolarHBondContact O-CB 3.42Å; Q1036-R1039 PolarHBondContact O-N 2.7Å; Q1036-E1040 PolarHBondContact NE2-OE1 3.33Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.39Å; Q1036-E1040 PolarHBondContact O-N 3.16Å |
| 1037 | A | 94 | Very high | 93.6 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 45% | 0.446 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1033 S1034 R1039 E1040 M1041 | E1033-A1037 PolarHBondContact O-N 3.35Å; S1034-A1037 WeakPolarHBondContact O-CB 3.38Å; S1034-A1037 PolarHBondContact O-N 2.99Å; S1034-A1037 VanDerWaalsContact O-N 3.12Å; A1037-R1039 VanDerWaalsContact C-N 3.31Å; A1037-R1039 PolarHBondContact O-N 3.35Å; A1037-E1040 PolarHBondContact O-N 2.99Å; A1037-M1041 WeakPolarHBondContact O-CG 3.29Å; A1037-M1041 PolarHBondContact O-N 3.15Å |
| 1038 | L | 96.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 174.7 | -62.5 | 180 | 0 | 0 | 0 | 111.9 | L964 M968 F1030 S1034 V1035 M1041 M1042 W1081 | L964-L1038 HydrophobicContact CD1-CD1 4.3Å; L964-L1038 HydrophobicContact CD2-CD1 4.14Å; L964-L1038 HydrophobicContact CG-CD1 4.19Å; L964-L1038 HydrophobicContact CG-CD2 4.32Å; M968-L1038 HydrophobicContact CB-CD2 3.75Å; M968-L1038 HydrophobicContact CE-CB 4.5Å; M968-L1038 WeakPolarHBondContact CE-O 3.49Å; M968-L1038 HydrophobicContact CG-CB 4.37Å; M968-L1038 HydrophobicContact CG-CD2 3.85Å; M968-L1038 HydrophobicContact SD-CB 4.45Å; F1030-L1038 HydrophobicContact CD1-CD1 4.43Å; F1030-L1038 HydrophobicContact CE1-CD1 4.2Å; S1034-L1038 WeakPolarHBondContact O-CG 3.31Å; S1034-L1038 PolarHBondContact O-N 2.83Å; V1035-L1038 PolarHBondContact O-N 3.4Å; L1038-M1041 HydrophobicContact CD2-SD 4.24Å; L1038-M1041 WeakPolarHBondContact O-CB 3.48Å; L1038-M1041 PolarHBondContact O-N 3.19Å; L1038-M1042 PolarHBondContact O-N 3.13Å; L1038-W1081 HydrophobicContact CB-CH2 4.49Å; L1038-W1081 HydrophobicContact CB-CZ3 4.46Å |
| 1039 | R | 96.3 | Very high | 94.2 | Very high | 78 Ų | 78 | 47 Ų | 47 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.6 | -173.9 | -178.4 | -176.5 | 171.4 | 3.8 | 111.8 | V1035 Q1036 A1037 M1041 M1042 R1043 W1081 L1089 | V1035-R1039 WeakPolarHBondContact O-CB 3.46Å; V1035-R1039 PolarHBondContact O-N 2.83Å; Q1036-R1039 WeakPolarHBondContact O-CB 3.42Å; Q1036-R1039 PolarHBondContact O-N 2.7Å; A1037-R1039 VanDerWaalsContact C-N 3.31Å; A1037-R1039 PolarHBondContact O-N 3.35Å; R1039-M1041 VanDerWaalsContact C-N 3.33Å; R1039-M1042 PolarHBondContact O-N 3.15Å; R1039-R1043 PolarHBondContact O-N 2.88Å; R1039-W1081 HydrophobicContact CB-CH2 3.72Å; R1039-W1081 HydrophobicContact CB-CZ2 3.63Å; R1039-W1081 HydrophobicContact CG-CH2 4.33Å; R1039-W1081 HydrophobicContact CG-CZ2 3.79Å; R1039-L1089 HydrophobicContact CG-CD1 3.93Å |
| 1040 | E | 96.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.9 | -33.5 | 176.4 | -66 | -55.3 | 138.8 | 0 | 0 | 111.7 | Q1036 A1037 R1043 E1044 | Q1036-E1040 PolarHBondContact NE2-OE1 3.33Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.39Å; Q1036-E1040 PolarHBondContact O-N 3.16Å; A1037-E1040 PolarHBondContact O-N 2.99Å; E1040-R1043 VanDerWaalsContact CD-NH1 3.27Å; E1040-R1043 PolarHBondContact O-N 2.95Å; E1040-R1043 IonicContact OE1-CZ 2.79Å; E1040-R1043 IonicContact OE1-NH1 3.12Å; E1040-R1043 PolarHBondContact OE1-NH1 3.43Å; E1040-R1043 IonicContact OE1-NH2 3.3Å; E1040-R1043 IonicContact OE2-CZ 3.6Å; E1040-R1043 IonicContact OE2-NH1 2.97Å; E1040-R1043 PolarHBondContact OE2-NH1 2.9Å; E1040-E1044 WeakPolarHBondContact O-CB 3.49Å; E1040-E1044 PolarHBondContact O-N 3.2Å |
| 1041 | M | 96.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 170.3 | -71.2 | 179.8 | 65.7 | 0 | 0 | 111.9 | F946 R965 M968 A969 I972 A1037 L1038 R1039 R1043 E1044 G1045 | F946-M1041 HydrophobicContact CZ-CB 4.16Å; F946-M1041 HydrophobicContact CZ-CG 4.38Å; R965-M1041 HydrophobicContact CB-CE 4.43Å; R965-M1041 HydrophobicContact CB-SD 4.34Å; R965-M1041 HydrophobicContact CG-SD 4.15Å; M968-M1041 HydrophobicContact CB-CE 4.21Å; M968-M1041 HydrophobicContact CG-CB 4.43Å; M968-M1041 HydrophobicContact CG-CE 4.38Å; A969-M1041 HydrophobicContact CB-CE 4.36Å; I972-M1041 HydrophobicContact CD1-CB 4.09Å; I972-M1041 WeakPolarHBondContact CD1-O 3.41Å; A1037-M1041 WeakPolarHBondContact O-CG 3.29Å; A1037-M1041 PolarHBondContact O-N 3.15Å; L1038-M1041 HydrophobicContact CD2-SD 4.24Å; L1038-M1041 WeakPolarHBondContact O-CB 3.48Å; L1038-M1041 PolarHBondContact O-N 3.19Å; R1039-M1041 VanDerWaalsContact C-N 3.33Å; M1041-R1043 VanDerWaalsContact C-N 3.32Å; M1041-R1043 PolarHBondContact O-N 3.33Å; M1041-E1044 PolarHBondContact O-N 3.03Å; M1041-G1045 PolarHBondContact O-N 3.03Å |
| 1042 | M | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.5 | -177.7 | 58.7 | 75.7 | 0 | 0 | 111.5 | M968 Y971 I972 I976 L1038 R1039 G1045 V1046 R1080 W1081 L1089 | M968-M1042 HydrophobicContact CE-CB 3.7Å; M968-M1042 HydrophobicContact CE-CE 3.47Å; M968-M1042 VanDerWaalsContact CE-CE 3.47Å; M968-M1042 HydrophobicContact CE-CG 4.39Å; Y971-M1042 HydrophobicContact CD1-CE 3.84Å; Y971-M1042 HydrophobicContact CE1-CE 4Å; I972-M1042 HydrophobicContact CG1-CE 4.03Å; I972-M1042 HydrophobicContact CG1-SD 4.06Å; I976-M1042 HydrophobicContact CD1-CE 4.43Å; I976-M1042 HydrophobicContact CD1-SD 3.32Å; I976-M1042 WeakPolarHBondContact CD1-SD 3.39Å; L1038-M1042 PolarHBondContact O-N 3.13Å; R1039-M1042 PolarHBondContact O-N 3.15Å; M1042-G1045 PolarHBondContact O-N 3.5Å; M1042-V1046 WeakPolarHBondContact O-CG2 3.27Å; M1042-V1046 PolarHBondContact O-N 3.48Å; M1042-R1080 HydrophobicContact CE-CB 3.99Å; M1042-W1081 HydrophobicContact CB-CE3 4.22Å; M1042-W1081 HydrophobicContact CG-CB 4.3Å; M1042-W1081 HydrophobicContact CG-CE3 4.25Å; M1042-L1089 HydrophobicContact CB-CD2 4.41Å; M1042-L1089 HydrophobicContact CG-CD2 3.81Å |
| 1043 | R | 96 | Very high | 94.5 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.5 | -172.6 | -177.8 | -70.3 | 148 | 4.1 | 111.7 | R1039 E1040 M1041 G1045 V1046 E1047 L1089 | R1039-R1043 PolarHBondContact O-N 2.88Å; E1040-R1043 VanDerWaalsContact CD-NH1 3.27Å; E1040-R1043 PolarHBondContact O-N 2.95Å; E1040-R1043 IonicContact OE1-CZ 2.79Å; E1040-R1043 IonicContact OE1-NH1 3.12Å; E1040-R1043 PolarHBondContact OE1-NH1 3.43Å; E1040-R1043 IonicContact OE1-NH2 3.3Å; E1040-R1043 IonicContact OE2-CZ 3.6Å; E1040-R1043 IonicContact OE2-NH1 2.97Å; E1040-R1043 PolarHBondContact OE2-NH1 2.9Å; M1041-R1043 VanDerWaalsContact C-N 3.32Å; M1041-R1043 PolarHBondContact O-N 3.33Å; R1043-G1045 VanDerWaalsContact C-N 3.31Å; R1043-G1045 PolarHBondContact O-N 3Å; R1043-V1046 PolarHBondContact O-N 3.13Å; R1043-E1047 HydrophobicContact CG-CG 4.24Å; R1043-E1047 WeakPolarHBondContact O-CB 3.46Å; R1043-E1047 WeakPolarHBondContact O-CG 3.42Å; R1043-E1047 PolarHBondContact O-N 3.2Å; R1043-L1089 HydrophobicContact CB-CD2 4.31Å |
| 1044 | E | 94.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.8 | -175 | 69.7 | -165.4 | 0 | 0 | 110.7 | R942 F946 E1040 M1041 V1046 E1047 Q1048 | R942-E1044 IonicContact NH2-OE1 3.79Å; R942-E1044 PolarHBondContact NH2-OE1 2.92Å; R942-E1044 VanDerWaalsContact NH2-OE1 3.16Å; F946-E1044 HydrophobicContact CD2-CG 4.2Å; F946-E1044 HydrophobicContact CE2-CB 4.25Å; F946-E1044 HydrophobicContact CE2-CG 3.95Å; F946-E1044 HydrophobicContact CZ-CB 4.13Å; F946-E1044 HydrophobicContact CZ-CG 4.21Å; E1040-E1044 WeakPolarHBondContact O-CB 3.49Å; E1040-E1044 PolarHBondContact O-N 3.2Å; M1041-E1044 PolarHBondContact O-N 3.03Å; E1044-V1046 PolarHBondContact O-N 3.23Å; E1044-E1047 PolarHBondContact O-N 2.85Å; E1044-Q1048 HydrophobicContact CG-CG 4.27Å; E1044-Q1048 VanDerWaalsContact O-CB 3.31Å; E1044-Q1048 WeakPolarHBondContact O-CB 3.38Å; E1044-Q1048 VanDerWaalsContact O-CG 3.27Å; E1044-Q1048 WeakPolarHBondContact O-CG 3.39Å; E1044-Q1048 PolarHBondContact O-N 3.19Å; E1044-Q1048 PolarHBondContact OE1-NE2 2.83Å |
| 1045 | G | 94.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y977 M1041 M1042 R1043 E1049 | Y977-G1045 WeakPolarHBondContact CE1-O 3.41Å; M1041-G1045 PolarHBondContact O-N 3.03Å; M1042-G1045 PolarHBondContact O-N 3.5Å; R1043-G1045 VanDerWaalsContact C-N 3.31Å; R1043-G1045 PolarHBondContact O-N 3Å; G1045-E1049 WeakPolarHBondContact O-CB 3.34Å; G1045-E1049 PolarHBondContact O-N 3.03Å |
| 1046 | V | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 176.9 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | I976 M1042 R1043 E1044 E1049 I1050 I1073 Y1090 | I976-V1046 HydrophobicContact CD1-CG2 3.68Å; M1042-V1046 WeakPolarHBondContact O-CG2 3.27Å; M1042-V1046 PolarHBondContact O-N 3.48Å; R1043-V1046 PolarHBondContact O-N 3.13Å; E1044-V1046 PolarHBondContact O-N 3.23Å; V1046-E1049 PolarHBondContact O-N 3.26Å; V1046-I1050 HydrophobicContact CG1-CD1 3.81Å; V1046-I1050 HydrophobicContact CG1-CG1 4.41Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.39Å; V1046-I1050 PolarHBondContact O-N 3.24Å; V1046-I1073 HydrophobicContact CG1-CG2 3.99Å; V1046-Y1090 HydrophobicContact CB-CE2 4.08Å; V1046-Y1090 WeakPolarHBondContact CB-OH 3.42Å; V1046-Y1090 HydrophobicContact CG1-CE2 3.52Å; V1046-Y1090 WeakPolarHBondContact CG1-OH 3.27Å; V1046-Y1090 HydrophobicContact CG2-CE2 4.13Å |
| 1047 | E | 94.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.6 | -39.4 | -177.5 | -71.1 | -65.3 | 158.7 | 0 | 0 | 111.9 | R1043 E1044 E1049 I1050 A1051 | R1043-E1047 HydrophobicContact CG-CG 4.24Å; R1043-E1047 WeakPolarHBondContact O-CB 3.46Å; R1043-E1047 WeakPolarHBondContact O-CG 3.42Å; R1043-E1047 PolarHBondContact O-N 3.2Å; E1044-E1047 PolarHBondContact O-N 2.85Å; E1047-E1049 VanDerWaalsContact C-N 3.32Å; E1047-I1050 PolarHBondContact O-N 2.94Å; E1047-A1051 WeakPolarHBondContact O-CB 3.37Å; E1047-A1051 PolarHBondContact O-N 3.11Å |
| 1048 | Q | 93 | Very high | 93.9 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 173.4 | -72.2 | -167.6 | 16.6 | 0 | 0 | 111.7 | R943 E1044 A1051 W1052 | R943-Q1048 VanDerWaalsContact CA-OE1 3.24Å; R943-Q1048 HydrophobicContact CG-CB 3.79Å; R943-Q1048 VanDerWaalsContact CG-OE1 3.27Å; E1044-Q1048 HydrophobicContact CG-CG 4.27Å; E1044-Q1048 VanDerWaalsContact O-CB 3.31Å; E1044-Q1048 WeakPolarHBondContact O-CB 3.38Å; E1044-Q1048 VanDerWaalsContact O-CG 3.27Å; E1044-Q1048 WeakPolarHBondContact O-CG 3.39Å; E1044-Q1048 PolarHBondContact O-N 3.19Å; E1044-Q1048 PolarHBondContact OE1-NE2 2.83Å; Q1048-A1051 PolarHBondContact O-N 3.23Å; Q1048-W1052 WeakPolarHBondContact O-CB 3.48Å; Q1048-W1052 PolarHBondContact O-N 3.11Å |
| 1049 | E | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 176 | -166.9 | 60.2 | -146.4 | 0 | 0 | 112.2 | R943 I976 Y977 S980 G1045 V1046 E1047 W1052 G1053 I1073 | R943-E1049 IonicContact CZ-OE1 2.72Å; R943-E1049 IonicContact CZ-OE2 2.61Å; R943-E1049 IonicContact NE-OE2 2.76Å; R943-E1049 PolarHBondContact NE-OE2 3.47Å; R943-E1049 VanDerWaalsContact NE-OE2 3.11Å; R943-E1049 IonicContact NH2-OE1 3.93Å; R943-E1049 PolarHBondContact NH2-OE1 3.2Å; R943-E1049 VanDerWaalsContact NH2-OE1 3.1Å; R943-E1049 IonicContact NH2-OE2 2.92Å; R943-E1049 PolarHBondContact NH2-OE2 2.95Å; I976-E1049 HydrophobicContact CG2-CB 3.99Å; I976-E1049 HydrophobicContact CG2-CG 3.92Å; Y977-E1049 HydrophobicContact CD1-CB 4.3Å; Y977-E1049 HydrophobicContact CD1-CG 4.39Å; Y977-E1049 WeakPolarHBondContact CD1-OE2 3.29Å; Y977-E1049 HydrophobicContact CE1-CB 4.23Å; Y977-E1049 WeakPolarHBondContact CE1-OE2 3.48Å; S980-E1049 WeakPolarHBondContact CB-OE1 3.32Å; S980-E1049 WeakPolarHBondContact OG-CG 3.26Å; S980-E1049 PolarHBondContact OG-OE1 3.39Å; G1045-E1049 WeakPolarHBondContact O-CB 3.34Å; G1045-E1049 PolarHBondContact O-N 3.03Å; V1046-E1049 PolarHBondContact O-N 3.26Å; E1047-E1049 VanDerWaalsContact C-N 3.32Å; E1049-W1052 WeakPolarHBondContact O-CB 3.38Å; E1049-W1052 PolarHBondContact O-N 3.11Å; E1049-G1053 PolarHBondContact O-N 3.11Å; E1049-I1073 HydrophobicContact CB-CD1 4.33Å; E1049-I1073 HydrophobicContact CB-CG2 3.87Å; E1049-I1073 HydrophobicContact CG-CD1 3.78Å; E1049-I1073 HydrophobicContact CG-CG1 4.15Å; E1049-I1073 HydrophobicContact CG-CG2 3.94Å |
| 1050 | I | 95.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.8 | -69.5 | 170.2 | 0 | 0 | 0 | 110.4 | V1046 E1047 W1052 G1053 H1054 S1070 I1073 R1074 | V1046-I1050 HydrophobicContact CG1-CD1 3.81Å; V1046-I1050 HydrophobicContact CG1-CG1 4.41Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.39Å; V1046-I1050 PolarHBondContact O-N 3.24Å; E1047-I1050 PolarHBondContact O-N 2.94Å; I1050-W1052 VanDerWaalsContact C-N 3.27Å; I1050-W1052 PolarHBondContact O-N 3.07Å; I1050-G1053 PolarHBondContact O-N 3.23Å; I1050-H1054 WeakPolarHBondContact O-CB 3.39Å; I1050-H1054 PolarHBondContact O-CD2 2.91Å; I1050-H1054 PolarHBondContact O-N 3.43Å; I1050-S1070 VanDerWaalsContact CG2-OG 3.3Å; I1050-S1070 WeakPolarHBondContact CG2-OG 3.48Å; I1050-I1073 HydrophobicContact CG1-CB 3.92Å; I1050-I1073 HydrophobicContact CG1-CD1 3.98Å; I1050-I1073 HydrophobicContact CG1-CG2 3.89Å; I1050-R1074 HydrophobicContact CD1-CG 3.93Å |
| 1051 | A | 93 | Very high | 92.5 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 36% | 0.355 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1047 Q1048 Y1055 | E1047-A1051 WeakPolarHBondContact O-CB 3.37Å; E1047-A1051 PolarHBondContact O-N 3.11Å; Q1048-A1051 PolarHBondContact O-N 3.23Å; A1051-Y1055 WeakPolarHBondContact O-CB 3.39Å; A1051-Y1055 PolarHBondContact O-N 2.89Å; A1051-Y1055 VanDerWaalsContact O-N 3.1Å |
| 1052 | W | 92.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -52.9 | 173.7 | 169.8 | -114 | 0 | 0 | 0 | 112.3 | K868 I869 H939 L940 R943 Q1048 E1049 I1050 H1054 Y1055 V1056 | K868-W1052 HydrophobicContact CB-CH2 3.77Å; K868-W1052 HydrophobicContact CB-CZ2 4.09Å; K868-W1052 HydrophobicContact CD-CH2 4.4Å; K868-W1052 HydrophobicContact CG-CH2 4.4Å; I869-W1052 HydrophobicContact CG1-CZ2 4.26Å; H939-W1052 HydrophobicContact CB-CE3 3.84Å; H939-W1052 HydrophobicContact CB-CZ3 4.14Å; L940-W1052 HydrophobicContact CD1-CH2 4Å; L940-W1052 HydrophobicContact CD1-CZ3 4.44Å; L940-W1052 HydrophobicContact CD2-CD2 4.33Å; L940-W1052 HydrophobicContact CD2-CE3 4Å; L940-W1052 HydrophobicContact CD2-CH2 3.12Å; L940-W1052 HydrophobicContact CD2-CZ2 3.52Å; L940-W1052 HydrophobicContact CD2-CZ3 3.41Å; L940-W1052 VanDerWaalsContact CD2-CZ3 3.41Å; L940-W1052 HydrophobicContact CG-CE3 4.42Å; L940-W1052 HydrophobicContact CG-CH2 3.48Å; L940-W1052 VanDerWaalsContact CG-CH2 3.48Å; L940-W1052 HydrophobicContact CG-CZ2 4.35Å; L940-W1052 HydrophobicContact CG-CZ3 3.52Å; R943-W1052 VanDerWaalsContact CZ-CD1 3.4Å; R943-W1052 VanDerWaalsContact CZ-CG 3.43Å; R943-W1052 VanDerWaalsContact NH2-CD1 3.35Å; Q1048-W1052 WeakPolarHBondContact O-CB 3.48Å; Q1048-W1052 PolarHBondContact O-N 3.11Å; E1049-W1052 WeakPolarHBondContact O-CB 3.38Å; E1049-W1052 PolarHBondContact O-N 3.11Å; I1050-W1052 VanDerWaalsContact C-N 3.27Å; I1050-W1052 PolarHBondContact O-N 3.07Å; W1052-H1054 PolarHBondContact O-N 3.29Å; W1052-Y1055 AromaticContact CE3-CD1 3.76Å; W1052-Y1055 HydrophobicContact CE3-CD1 3.76Å; W1052-Y1055 HydrophobicContact CE3-CE1 4.36Å; W1052-Y1055 AromaticContact CZ3-CD1 3.57Å; W1052-Y1055 HydrophobicContact CZ3-CD1 3.57Å; W1052-Y1055 AromaticContact CZ3-CE1 3.73Å; W1052-Y1055 HydrophobicContact CZ3-CE1 3.73Å; W1052-Y1055 WeakPolarHBondContact O-CB 3.44Å; W1052-Y1055 PolarHBondContact O-N 3.36Å; W1052-V1056 HydrophobicContact CD2-CB 4.2Å; W1052-V1056 HydrophobicContact CD2-CG1 4.14Å; W1052-V1056 HydrophobicContact CE3-CB 4.39Å; W1052-V1056 HydrophobicContact CG-CG1 4.46Å; W1052-V1056 HydrophobicContact CH2-CB 4.04Å; W1052-V1056 HydrophobicContact CH2-CG2 3.86Å; W1052-V1056 HydrophobicContact CZ2-CB 3.82Å; W1052-V1056 HydrophobicContact CZ2-CG1 4.02Å; W1052-V1056 HydrophobicContact CZ2-CG2 3.65Å; W1052-V1056 HydrophobicContact CZ3-CB 4.32Å; W1052-V1056 WeakPolarHBondContact O-CG1 3.49Å; W1052-V1056 PolarHBondContact O-N 3.38Å |
| 1053 | G | 91.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -39.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1049 I1050 Y1055 I1057 G1058 | E1049-G1053 PolarHBondContact O-N 3.11Å; I1050-G1053 PolarHBondContact O-N 3.23Å; G1053-Y1055 VanDerWaalsContact C-N 3.34Å; G1053-Y1055 PolarHBondContact O-N 3.35Å; G1053-I1057 WeakPolarHBondContact O-CB 3.45Å; G1053-I1057 PolarHBondContact O-N 3.08Å; G1053-G1058 PolarHBondContact O-N 3.35Å |
| 1054 | H | 93.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 174.6 | -83.3 | -151.5 | 0 | 0 | 0 | 113.9 | I1050 W1052 G1058 R1066 S1070 | I1050-H1054 WeakPolarHBondContact O-CB 3.39Å; I1050-H1054 PolarHBondContact O-CD2 2.91Å; I1050-H1054 PolarHBondContact O-N 3.43Å; W1052-H1054 PolarHBondContact O-N 3.29Å; H1054-G1058 WeakPolarHBondContact O-CA 3.49Å; H1054-G1058 PolarHBondContact O-N 2.84Å; H1054-R1066 PolarHBondContact NE2-O 2.88Å; H1054-R1066 PolarHBondContact O-NH1 3.39Å; H1054-R1066 PolarHBondContact O-NH2 2.82Å; H1054-S1070 PolarHBondContact CE1-OG 3.4Å; H1054-S1070 PolarHBondContact NE2-OG 2.93Å |
| 1055 | Y | 92.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 33 Ų | 33 | 36% | 0.357 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -77.8 | -43.2 | 178.2 | 166 | -113.7 | 0 | 0 | 0 | 112.1 | K868 D937 H939 A1051 W1052 G1053 | K868-Y1055 HydrophobicContact CD-CE1 4.35Å; K868-Y1055 PolarHBondContact NZ-OH 2.86Å; D937-Y1055 VanDerWaalsContact OD2-CE1 3.23Å; D937-Y1055 WeakPolarHBondContact OD2-CE1 3.29Å; D937-Y1055 VanDerWaalsContact OD2-CZ 3.32Å; D937-Y1055 PolarHBondContact OD2-OH 2.99Å; H939-Y1055 HydrophobicContact CB-CD1 3.88Å; H939-Y1055 HydrophobicContact CB-CE1 4.18Å; H939-Y1055 AromaticContact CD2-CD1 3.75Å; H939-Y1055 AromaticContact CD2-CD2 3.91Å; H939-Y1055 AromaticContact CD2-CE1 3.99Å; H939-Y1055 AromaticContact CD2-CG 3.69Å; H939-Y1055 AromaticContact CG-CD1 3.86Å; H939-Y1055 AromaticContact NE2-CG 4Å; A1051-Y1055 WeakPolarHBondContact O-CB 3.39Å; A1051-Y1055 PolarHBondContact O-N 2.89Å; A1051-Y1055 VanDerWaalsContact O-N 3.1Å; W1052-Y1055 AromaticContact CE3-CD1 3.76Å; W1052-Y1055 HydrophobicContact CE3-CD1 3.76Å; W1052-Y1055 HydrophobicContact CE3-CE1 4.36Å; W1052-Y1055 AromaticContact CZ3-CD1 3.57Å; W1052-Y1055 HydrophobicContact CZ3-CD1 3.57Å; W1052-Y1055 AromaticContact CZ3-CE1 3.73Å; W1052-Y1055 HydrophobicContact CZ3-CE1 3.73Å; W1052-Y1055 WeakPolarHBondContact O-CB 3.44Å; W1052-Y1055 PolarHBondContact O-N 3.36Å; G1053-Y1055 VanDerWaalsContact C-N 3.34Å; G1053-Y1055 PolarHBondContact O-N 3.35Å |
| 1056 | V | 90.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.4 | -35.1 | -170.5 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | A865 K868 I869 W1052 | A865-V1056 HydrophobicContact CB-CG2 4.27Å; A865-V1056 WeakPolarHBondContact CB-O 3.4Å; K868-V1056 HydrophobicContact CB-CG2 3.51Å; K868-V1056 HydrophobicContact CD-CG2 3.83Å; K868-V1056 HydrophobicContact CG-CG2 4.33Å; I869-V1056 HydrophobicContact CD1-CG1 4.14Å; I869-V1056 HydrophobicContact CD1-CG2 4.47Å; I869-V1056 HydrophobicContact CG1-CG1 4.08Å; I869-V1056 HydrophobicContact CG1-CG2 4.02Å; W1052-V1056 HydrophobicContact CD2-CB 4.2Å; W1052-V1056 HydrophobicContact CD2-CG1 4.14Å; W1052-V1056 HydrophobicContact CE3-CB 4.39Å; W1052-V1056 HydrophobicContact CG-CG1 4.46Å; W1052-V1056 HydrophobicContact CH2-CB 4.04Å; W1052-V1056 HydrophobicContact CH2-CG2 3.86Å; W1052-V1056 HydrophobicContact CZ2-CB 3.82Å; W1052-V1056 HydrophobicContact CZ2-CG1 4.02Å; W1052-V1056 HydrophobicContact CZ2-CG2 3.65Å; W1052-V1056 HydrophobicContact CZ3-CB 4.32Å; W1052-V1056 WeakPolarHBondContact O-CG1 3.49Å; W1052-V1056 PolarHBondContact O-N 3.38Å |
| 1057 | I | 89.6 | Confident | 90.3 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -48.5 | 179.9 | -65.3 | 161.2 | 0 | 0 | 0 | 111.2 | I869 M983 F984 G1053 I1061 L1064 I1069 | I869-I1057 HydrophobicContact CD1-CG1 4.5Å; M983-I1057 HydrophobicContact CE-CD1 3.76Å; F984-I1057 HydrophobicContact CB-CD1 4.4Å; F984-I1057 HydrophobicContact CD2-CD1 4.34Å; F984-I1057 HydrophobicContact CD2-CG1 4.16Å; G1053-I1057 WeakPolarHBondContact O-CB 3.45Å; G1053-I1057 PolarHBondContact O-N 3.08Å; I1057-I1061 HydrophobicContact CB-CD1 4.19Å; I1057-I1061 HydrophobicContact CG1-CD1 4.24Å; I1057-I1061 HydrophobicContact CG2-CB 4.03Å; I1057-I1061 HydrophobicContact CG2-CD1 3.87Å; I1057-I1061 HydrophobicContact CG2-CG1 4.08Å; I1057-L1064 HydrophobicContact CD1-CD1 4.25Å; I1057-L1064 HydrophobicContact CG2-CB 3.97Å; I1057-L1064 HydrophobicContact CG2-CD1 4.39Å; I1057-I1069 HydrophobicContact CB-CD1 3.67Å; I1057-I1069 HydrophobicContact CD1-CD1 3.83Å; I1057-I1069 HydrophobicContact CD1-CG1 4.38Å; I1057-I1069 HydrophobicContact CG1-CD1 4.35Å; I1057-I1069 HydrophobicContact CG2-CD1 3.59Å |
| 1058 | G | 87 | Confident | 90.2 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -135.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1053 H1054 R1066 | G1053-G1058 PolarHBondContact O-N 3.35Å; H1054-G1058 WeakPolarHBondContact O-CA 3.49Å; H1054-G1058 PolarHBondContact O-N 2.84Å; G1058-R1066 PolarHBondContact O-N 3.15Å |
| 1059 | D | 88 | Confident | 90.1 | Very high | 92 Ų | 92 | 39.8 Ų | 39.8 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 7.6 | -179.3 | -55.7 | -66.2 | 0 | 0 | 0 | 112.5 | N1065 R1066 | D1059-N1065 WeakPolarHBondContact OD1-CB 3.32Å; D1059-R1066 WeakPolarHBondContact OD1-CG 3.42Å; D1059-R1066 PolarHBondContact OD1-N 3.41Å; D1059-R1066 VanDerWaalsContact OD2-CD 3.26Å; D1059-R1066 WeakPolarHBondContact OD2-CD 3.36Å; D1059-R1066 IonicContact OD2-NE 2.96Å; D1059-R1066 PolarHBondContact OD2-NE 2.84Å |
| 1060 | D | 84 | Confident | 90.2 | Very high | 127 Ų | 127 | 40 Ų | 40 | 68% | 0.679 | 21% | 0.213 | S | C | * | . | trans | -93.8 | -2.8 | -173.5 | -65.7 | -49.1 | 0 | 0 | 0 | 113.5 | A861 | A861-D1060 HydrophobicContact CB-CB 3.79Š| ||
| 1061 | I | 87.2 | Confident | 90.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -102.1 | 116.1 | -176.8 | -57.9 | -167.1 | 0 | 0 | 0 | 109.9 | A861 E862 A865 F984 I1057 G1063 L1064 | A861-I1061 HydrophobicContact CB-CG1 4.16Å; E862-I1061 HydrophobicContact CG-CG2 4.12Å; A865-I1061 HydrophobicContact CB-CD1 3.53Å; F984-I1061 HydrophobicContact CD2-CD1 4.34Å; F984-I1061 HydrophobicContact CE2-CD1 3.69Å; F984-I1061 HydrophobicContact CE2-CG2 4.41Å; I1057-I1061 HydrophobicContact CB-CD1 4.19Å; I1057-I1061 HydrophobicContact CG1-CD1 4.24Å; I1057-I1061 HydrophobicContact CG2-CB 4.03Å; I1057-I1061 HydrophobicContact CG2-CD1 3.87Å; I1057-I1061 HydrophobicContact CG2-CG1 4.08Å; I1061-G1063 PolarHBondContact O-N 3.35Å; I1061-L1064 PolarHBondContact O-N 3.22Å |
| 1062 | P | 82.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 125.3 | 179.4 | -27.1 | 35.3 | 0 | 0 | 0 | 112.6 | L859 N987 N991 | L859-P1062 HydrophobicContact CD1-CG 4.03Å; N987-P1062 PolarHBondContact ND2-O 2.96Å; N987-P1062 PolarHBondContact OD1-O 2.86Å; N991-P1062 PolarHBondContact ND2-O 3.13Å |
| 1063 | G | 84.3 | Confident | 90.4 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -4.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | R990 I1061 M1068 | R990-G1063 PolarHBondContact NH2-O 2.87Å; I1061-G1063 PolarHBondContact O-N 3.35Å; G1063-M1068 VanDerWaalsContact O-CE 3.27Å; G1063-M1068 WeakPolarHBondContact O-CE 3.47Å |
| 1064 | L | 90.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -134 | 148.1 | 174 | -69.9 | 172 | 0 | 0 | 0 | 110.4 | M983 N987 I1057 I1061 M1068 M1100 W1102 | M983-L1064 HydrophobicContact CE-CD1 3.96Å; M983-L1064 HydrophobicContact CE-CD2 4.18Å; M983-L1064 HydrophobicContact CG-CD2 4.44Å; M983-L1064 HydrophobicContact SD-CD2 4.01Å; N987-L1064 HydrophobicContact CB-CD1 3.69Å; N987-L1064 HydrophobicContact CB-CG 4.04Å; I1057-L1064 HydrophobicContact CD1-CD1 4.25Å; I1057-L1064 HydrophobicContact CG2-CB 3.97Å; I1057-L1064 HydrophobicContact CG2-CD1 4.39Å; I1061-L1064 PolarHBondContact O-N 3.22Å; L1064-M1068 HydrophobicContact CD2-CE 4.38Å; L1064-M1100 HydrophobicContact CD2-CE 4.1Å; L1064-M1100 HydrophobicContact CD2-SD 4.26Å; L1064-W1102 HydrophobicContact CD2-CH2 4.32Å; L1064-W1102 HydrophobicContact CD2-CZ2 3.85Å | ||
| 1065 | N | 90.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | trans | -146.5 | 169.5 | 171.1 | 63.7 | 51 | 0 | 0 | 0 | 109.8 | D1059 Q1067 M1068 I1069 | D1059-N1065 WeakPolarHBondContact OD1-CB 3.32Å; N1065-Q1067 PolarHBondContact O-N 3.12Å; N1065-Q1067 WeakPolarHBondContact OD1-CB 3.37Å; N1065-Q1067 PolarHBondContact OD1-N 3.29Å; N1065-Q1067 VanDerWaalsContact OD1-N 3.07Å; N1065-M1068 PolarHBondContact ND2-SD 2.96Å; N1065-M1068 VanDerWaalsContact ND2-SD 3.38Å; N1065-M1068 PolarHBondContact O-N 2.85Å; N1065-M1068 WeakPolarHBondContact OD1-CG 3.27Å; N1065-M1068 PolarHBondContact OD1-N 3.3Å; N1065-I1069 WeakPolarHBondContact O-CD1 3.35Å; N1065-I1069 VanDerWaalsContact O-CG1 3.28Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.35Å; N1065-I1069 PolarHBondContact O-N 2.88Å; N1065-I1069 VanDerWaalsContact O-N 3.12Å | ||
| 1066 | R | 91.7 | Very high | 90.8 | Very high | 103 Ų | 103 | 35 Ų | 35 | 39% | 0.389 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -54.6 | -38.4 | -177.4 | -72.8 | 177.6 | -169.2 | -98.8 | -8.1 | 114 | H1054 G1058 D1059 S1070 | H1054-R1066 PolarHBondContact NE2-O 2.88Å; H1054-R1066 PolarHBondContact O-NH1 3.39Å; H1054-R1066 PolarHBondContact O-NH2 2.82Å; G1058-R1066 PolarHBondContact O-N 3.15Å; D1059-R1066 WeakPolarHBondContact OD1-CG 3.42Å; D1059-R1066 PolarHBondContact OD1-N 3.41Å; D1059-R1066 VanDerWaalsContact OD2-CD 3.26Å; D1059-R1066 WeakPolarHBondContact OD2-CD 3.36Å; D1059-R1066 IonicContact OD2-NE 2.96Å; D1059-R1066 PolarHBondContact OD2-NE 2.84Å; R1066-S1070 WeakPolarHBondContact O-CB 3.42Å; R1066-S1070 PolarHBondContact O-N 3.17Å; R1066-S1070 PolarHBondContact O-OG 3Å |
| 1067 | Q | 91.1 | Very high | 91.1 | Very high | 114 Ų | 114 | 34.4 Ų | 34.4 | 53% | 0.533 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.2 | -49.1 | -177.9 | -174.7 | 62.6 | 40.8 | 0 | 0 | 110.8 | N1065 I1069 S1070 D1071 | N1065-Q1067 PolarHBondContact O-N 3.12Å; N1065-Q1067 WeakPolarHBondContact OD1-CB 3.37Å; N1065-Q1067 PolarHBondContact OD1-N 3.29Å; N1065-Q1067 VanDerWaalsContact OD1-N 3.07Å; Q1067-I1069 VanDerWaalsContact C-N 3.28Å; Q1067-I1069 PolarHBondContact O-N 2.66Å; Q1067-S1070 PolarHBondContact O-N 2.77Å; Q1067-D1071 PolarHBondContact NE2-OD1 3.33Å; Q1067-D1071 PolarHBondContact NE2-OD2 3.15Å; Q1067-D1071 WeakPolarHBondContact O-CB 3.42Å; Q1067-D1071 PolarHBondContact O-N 3.37Å |
| 1068 | M | 92 | Very high | 91.4 | Very high | 24 Ų | 24 | 34 Ų | 34 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -44.4 | 176.8 | -70.3 | 172.1 | 67.8 | 0 | 0 | 111.9 | G1063 L1064 N1065 D1071 Y1072 S1099 M1100 | G1063-M1068 VanDerWaalsContact O-CE 3.27Å; G1063-M1068 WeakPolarHBondContact O-CE 3.47Å; L1064-M1068 HydrophobicContact CD2-CE 4.38Å; N1065-M1068 PolarHBondContact ND2-SD 2.96Å; N1065-M1068 VanDerWaalsContact ND2-SD 3.38Å; N1065-M1068 PolarHBondContact O-N 2.85Å; N1065-M1068 WeakPolarHBondContact OD1-CG 3.27Å; N1065-M1068 PolarHBondContact OD1-N 3.3Å; M1068-D1071 PolarHBondContact O-N 3.03Å; M1068-Y1072 WeakPolarHBondContact O-CB 3.05Å; M1068-Y1072 PolarHBondContact O-N 3.26Å; M1068-S1099 VanDerWaalsContact CE-O 3.32Å; M1068-S1099 WeakPolarHBondContact CE-O 3.47Å; M1068-M1100 HydrophobicContact CB-CG 4.34Å; M1068-M1100 HydrophobicContact CB-SD 3.79Å; M1068-M1100 HydrophobicContact CE-SD 3.43Å; M1068-M1100 WeakPolarHBondContact CE-SD 3.31Å; M1068-M1100 HydrophobicContact CG-SD 4.37Å |
| 1069 | I | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 178.4 | -65.5 | 163.9 | 0 | 0 | 0 | 110.7 | M983 I1057 N1065 Q1067 D1071 Y1072 I1073 | M983-I1069 HydrophobicContact CE-CG1 4.21Å; I1057-I1069 HydrophobicContact CB-CD1 3.67Å; I1057-I1069 HydrophobicContact CD1-CD1 3.83Å; I1057-I1069 HydrophobicContact CD1-CG1 4.38Å; I1057-I1069 HydrophobicContact CG1-CD1 4.35Å; I1057-I1069 HydrophobicContact CG2-CD1 3.59Å; N1065-I1069 WeakPolarHBondContact O-CD1 3.35Å; N1065-I1069 VanDerWaalsContact O-CG1 3.28Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.35Å; N1065-I1069 PolarHBondContact O-N 2.88Å; N1065-I1069 VanDerWaalsContact O-N 3.12Å; Q1067-I1069 VanDerWaalsContact C-N 3.28Å; Q1067-I1069 PolarHBondContact O-N 2.66Å; I1069-D1071 VanDerWaalsContact C-N 3.33Å; I1069-D1071 PolarHBondContact O-N 3.37Å; I1069-Y1072 PolarHBondContact O-N 3.22Å; I1069-I1073 HydrophobicContact CG2-CD1 3.54Å; I1069-I1073 HydrophobicContact CG2-CG1 4.48Å; I1069-I1073 WeakPolarHBondContact O-CD1 3.44Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.49Å; I1069-I1073 PolarHBondContact O-N 2.87Å |
| 1070 | S | 94.7 | Very high | 92 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 179.2 | -71 | 0 | 0 | 0 | 0 | 112.8 | I1050 H1054 R1066 Q1067 R1074 | I1050-S1070 VanDerWaalsContact CG2-OG 3.3Å; I1050-S1070 WeakPolarHBondContact CG2-OG 3.48Å; H1054-S1070 PolarHBondContact CE1-OG 3.4Å; H1054-S1070 PolarHBondContact NE2-OG 2.93Å; R1066-S1070 WeakPolarHBondContact O-CB 3.42Å; R1066-S1070 PolarHBondContact O-N 3.17Å; R1066-S1070 PolarHBondContact O-OG 3Å; Q1067-S1070 PolarHBondContact O-N 2.77Å; S1070-R1074 WeakPolarHBondContact O-CB 3.29Å; S1070-R1074 VanDerWaalsContact O-CG 3.29Å; S1070-R1074 WeakPolarHBondContact O-CG 3.5Å; S1070-R1074 PolarHBondContact O-N 3.47Å |
| 1071 | D | 94.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | -177.6 | -65 | -14.2 | 0 | 0 | 0 | 110.8 | Q1067 M1068 I1069 R1074 Y1075 F1093 P1097 | Q1067-D1071 PolarHBondContact NE2-OD1 3.33Å; Q1067-D1071 PolarHBondContact NE2-OD2 3.15Å; Q1067-D1071 WeakPolarHBondContact O-CB 3.42Å; Q1067-D1071 PolarHBondContact O-N 3.37Å; M1068-D1071 PolarHBondContact O-N 3.03Å; I1069-D1071 VanDerWaalsContact C-N 3.33Å; I1069-D1071 PolarHBondContact O-N 3.37Å; D1071-R1074 IonicContact OD1-NH1 3.15Å; D1071-Y1075 WeakPolarHBondContact O-CB 3.47Å; D1071-Y1075 PolarHBondContact O-N 3.33Å; D1071-F1093 HydrophobicContact CB-CD1 4.18Å; D1071-F1093 HydrophobicContact CB-CE1 3.77Å; D1071-F1093 WeakPolarHBondContact OD1-CE1 3.48Å; D1071-P1097 HydrophobicContact CB-CB 4.28Å; D1071-P1097 HydrophobicContact CB-CG 3.83Å |
| 1072 | Y | 94.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 176.1 | -177 | -116.4 | 0 | 0 | 0 | 112.5 | M983 M1068 I1069 R1074 Y1075 L1076 M1100 V1103 | M983-Y1072 HydrophobicContact CB-CD1 4.49Å; M983-Y1072 HydrophobicContact CB-CE1 4.03Å; M983-Y1072 HydrophobicContact CG-CD1 4.31Å; M983-Y1072 HydrophobicContact CG-CE1 4.25Å; M983-Y1072 HydrophobicContact SD-CD1 3.79Å; M983-Y1072 HydrophobicContact SD-CE1 4.28Å; M1068-Y1072 WeakPolarHBondContact O-CB 3.05Å; M1068-Y1072 PolarHBondContact O-N 3.26Å; I1069-Y1072 PolarHBondContact O-N 3.22Å; Y1072-R1074 PolarHBondContact O-N 2.8Å; Y1072-Y1075 HydrophobicContact CD2-CD1 4.16Å; Y1072-Y1075 HydrophobicContact CE2-CD1 4.26Å; Y1072-Y1075 HydrophobicContact CE2-CE1 4.45Å; Y1072-Y1075 WeakPolarHBondContact O-CB 3.4Å; Y1072-Y1075 PolarHBondContact O-N 3.13Å; Y1072-L1076 HydrophobicContact CD1-CD1 4.07Å; Y1072-L1076 HydrophobicContact CE1-CD1 3.59Å; Y1072-L1076 HydrophobicContact CE1-CG 4.19Å; Y1072-L1076 HydrophobicContact CE2-CD2 4.37Å; Y1072-L1076 HydrophobicContact CE2-CG 4.39Å; Y1072-L1076 WeakPolarHBondContact O-CG 3.32Å; Y1072-L1076 PolarHBondContact O-N 2.69Å; Y1072-M1100 HydrophobicContact CD1-CE 4.17Å; Y1072-M1100 HydrophobicContact CD2-CB 4.16Å; Y1072-M1100 HydrophobicContact CD2-CE 4.29Å; Y1072-M1100 HydrophobicContact CG-CE 3.82Å; Y1072-V1103 HydrophobicContact CE1-CG1 4.41Å; Y1072-V1103 HydrophobicContact CE2-CB 4.35Å; Y1072-V1103 HydrophobicContact CE2-CG1 4.1Å; Y1072-V1103 WeakPolarHBondContact OH-CG1 3.35Å |
| 1073 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | -179.5 | -61.4 | 162.2 | 0 | 0 | 0 | 111.1 | I976 V1046 E1049 I1050 I1069 Y1075 L1076 G1077 | I976-I1073 HydrophobicContact CG2-CG2 4.08Å; V1046-I1073 HydrophobicContact CG1-CG2 3.99Å; E1049-I1073 HydrophobicContact CB-CD1 4.33Å; E1049-I1073 HydrophobicContact CB-CG2 3.87Å; E1049-I1073 HydrophobicContact CG-CD1 3.78Å; E1049-I1073 HydrophobicContact CG-CG1 4.15Å; E1049-I1073 HydrophobicContact CG-CG2 3.94Å; I1050-I1073 HydrophobicContact CG1-CB 3.92Å; I1050-I1073 HydrophobicContact CG1-CD1 3.98Å; I1050-I1073 HydrophobicContact CG1-CG2 3.89Å; I1069-I1073 HydrophobicContact CG2-CD1 3.54Å; I1069-I1073 HydrophobicContact CG2-CG1 4.48Å; I1069-I1073 WeakPolarHBondContact O-CD1 3.44Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.49Å; I1069-I1073 PolarHBondContact O-N 2.87Å; I1073-Y1075 VanDerWaalsContact C-N 3.32Å; I1073-L1076 PolarHBondContact O-N 3.34Å; I1073-G1077 PolarHBondContact O-N 3.35Å |
| 1074 | R | 96.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 25.9 Ų | 25.9 | 22% | 0.219 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 173.1 | -74.3 | -179.3 | -167.3 | 117.2 | 4.9 | 111.8 | I1050 S1070 D1071 Y1072 G1077 N1078 Y1090 F1093 | I1050-R1074 HydrophobicContact CD1-CG 3.93Å; S1070-R1074 WeakPolarHBondContact O-CB 3.29Å; S1070-R1074 VanDerWaalsContact O-CG 3.29Å; S1070-R1074 WeakPolarHBondContact O-CG 3.5Å; S1070-R1074 PolarHBondContact O-N 3.47Å; D1071-R1074 IonicContact OD1-NH1 3.15Å; Y1072-R1074 PolarHBondContact O-N 2.8Å; R1074-G1077 PolarHBondContact O-N 2.87Å; R1074-N1078 PolarHBondContact O-N 3.12Å; R1074-Y1090 HydrophobicContact CB-CD2 3.98Å; R1074-Y1090 HydrophobicContact CB-CG 4.1Å; R1074-Y1090 HydrophobicContact CG-CD1 4.2Å; R1074-Y1090 HydrophobicContact CG-CD2 4.02Å; R1074-Y1090 HydrophobicContact CG-CE1 4.49Å; R1074-Y1090 HydrophobicContact CG-CE2 4.33Å; R1074-Y1090 HydrophobicContact CG-CG 3.96Å; R1074-F1093 HydrophobicContact CB-CB 4.14Å; R1074-F1093 HydrophobicContact CB-CD1 4.17Å; R1074-F1093 HydrophobicContact CB-CD2 4.13Å; R1074-F1093 HydrophobicContact CB-CG 3.88Å |
| 1075 | Y | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -49.4 | 172.4 | 158.3 | -102 | 0 | 0 | 0 | 111.6 | D1071 Y1072 I1073 G1077 N1078 L1079 F1093 S1095 E1096 L1134 | D1071-Y1075 WeakPolarHBondContact O-CB 3.47Å; D1071-Y1075 PolarHBondContact O-N 3.33Å; Y1072-Y1075 HydrophobicContact CD2-CD1 4.16Å; Y1072-Y1075 HydrophobicContact CE2-CD1 4.26Å; Y1072-Y1075 HydrophobicContact CE2-CE1 4.45Å; Y1072-Y1075 WeakPolarHBondContact O-CB 3.4Å; Y1072-Y1075 PolarHBondContact O-N 3.13Å; I1073-Y1075 VanDerWaalsContact C-N 3.32Å; Y1075-G1077 VanDerWaalsContact C-N 3.31Å; Y1075-G1077 PolarHBondContact O-N 3.32Å; Y1075-N1078 WeakPolarHBondContact O-CB 3.41Å; Y1075-N1078 PolarHBondContact O-N 2.75Å; Y1075-N1078 VanDerWaalsContact O-N 3.13Å; Y1075-L1079 HydrophobicContact CE1-CD2 4.37Å; Y1075-L1079 HydrophobicContact CE2-CB 4.48Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.2Å; Y1075-L1079 PolarHBondContact O-N 2.82Å; Y1075-F1093 WeakPolarHBondContact CA-O 3.48Å; Y1075-S1095 WeakPolarHBondContact CD2-O 3.4Å; Y1075-S1095 VanDerWaalsContact CE2-C 3.47Å; Y1075-E1096 HydrophobicContact CE1-CB 4.1Å; Y1075-E1096 HydrophobicContact CE1-CG 4.27Å; Y1075-E1096 HydrophobicContact CE2-CB 4.27Å; Y1075-L1134 HydrophobicContact CE1-CD2 3.83Å; Y1075-L1134 VanDerWaalsContact OH-CA 3.26Å; Y1075-L1134 WeakPolarHBondContact OH-CA 3.48Å; Y1075-L1134 VanDerWaalsContact OH-CD2 3.28Å; Y1075-L1134 WeakPolarHBondContact OH-CD2 3.25Å; Y1075-L1134 PolarHBondContact OH-OXT 3.39Å |
| 1076 | L | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 175.1 | -68.9 | 177.5 | 0 | 0 | 0 | 111.3 | Y979 Y1072 I1073 N1078 L1079 R1080 | Y979-L1076 HydrophobicContact CD1-CD2 4.2Å; Y1072-L1076 HydrophobicContact CD1-CD1 4.07Å; Y1072-L1076 HydrophobicContact CE1-CD1 3.59Å; Y1072-L1076 HydrophobicContact CE1-CG 4.19Å; Y1072-L1076 HydrophobicContact CE2-CD2 4.37Å; Y1072-L1076 HydrophobicContact CE2-CG 4.39Å; Y1072-L1076 WeakPolarHBondContact O-CG 3.32Å; Y1072-L1076 PolarHBondContact O-N 2.69Å; I1073-L1076 PolarHBondContact O-N 3.34Å; L1076-N1078 VanDerWaalsContact C-N 3.32Å; L1076-N1078 PolarHBondContact O-N 3.4Å; L1076-L1079 PolarHBondContact O-N 2.92Å; L1076-R1080 VanDerWaalsContact O-CG 3.26Å; L1076-R1080 WeakPolarHBondContact O-CG 3.42Å; L1076-R1080 PolarHBondContact O-N 3.49Å |
| 1077 | G | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1073 R1074 Y1075 W1081 | I1073-G1077 PolarHBondContact O-N 3.35Å; R1074-G1077 PolarHBondContact O-N 2.87Å; Y1075-G1077 VanDerWaalsContact C-N 3.31Å; Y1075-G1077 PolarHBondContact O-N 3.32Å; G1077-W1081 WeakPolarHBondContact O-CB 3.25Å; G1077-W1081 PolarHBondContact O-N 3.05Å |
| 1078 | N | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | 173.3 | -83.3 | -11.8 | 0 | 0 | 0 | 112.1 | R1074 Y1075 L1076 R1080 W1081 T1082 L1089 Y1090 F1093 | R1074-N1078 PolarHBondContact O-N 3.12Å; Y1075-N1078 WeakPolarHBondContact O-CB 3.41Å; Y1075-N1078 PolarHBondContact O-N 2.75Å; Y1075-N1078 VanDerWaalsContact O-N 3.13Å; L1076-N1078 VanDerWaalsContact C-N 3.32Å; L1076-N1078 PolarHBondContact O-N 3.4Å; N1078-R1080 VanDerWaalsContact C-N 3.3Å; N1078-R1080 PolarHBondContact O-N 3.17Å; N1078-W1081 PolarHBondContact O-N 3.01Å; N1078-T1082 VanDerWaalsContact O-CB 3.29Å; N1078-T1082 WeakPolarHBondContact O-CB 3.36Å; N1078-T1082 VanDerWaalsContact O-CG2 3.22Å; N1078-T1082 WeakPolarHBondContact O-CG2 3.34Å; N1078-T1082 PolarHBondContact O-N 3.34Å; N1078-T1082 PolarHBondContact O-OG1 2.91Å; N1078-L1089 WeakPolarHBondContact OD1-CA 3.45Å; N1078-L1089 PolarHBondContact OD1-N 3.38Å; N1078-Y1090 PolarHBondContact ND2-O 3.26Å; N1078-Y1090 PolarHBondContact OD1-N 3.33Å; N1078-F1093 PolarHBondContact ND2-O 3.49Å |
| 1079 | L | 93.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 23.6 Ų | 23.6 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | -178 | 178.7 | 61.3 | 0 | 0 | 0 | 111.1 | Y1075 L1076 T1082 S1083 D1133 | Y1075-L1079 HydrophobicContact CE1-CD2 4.37Å; Y1075-L1079 HydrophobicContact CE2-CB 4.48Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.2Å; Y1075-L1079 PolarHBondContact O-N 2.82Å; L1076-L1079 PolarHBondContact O-N 2.92Å; L1079-T1082 PolarHBondContact O-OG1 3.33Å; L1079-S1083 VanDerWaalsContact O-CB 3.26Å; L1079-S1083 WeakPolarHBondContact O-CB 3.26Å; L1079-S1083 PolarHBondContact O-N 3.49Å; L1079-S1083 VanDerWaalsContact O-N 3.12Å; L1079-S1083 PolarHBondContact O-OG 2.97Å; L1079-D1133 WeakPolarHBondContact CD1-O 3.31Å; L1079-D1133 VanDerWaalsContact CD2-O 3.26Å; L1079-D1133 WeakPolarHBondContact CD2-O 3.18Å |
| 1080 | R | 94.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70 | -43.2 | 179.2 | -58.9 | -33.6 | 172.3 | -157.1 | 1.1 | 112 | Y971 G975 I976 Y979 M1042 L1076 N1078 S1083 | Y971-R1080 HydrophobicContact CE1-CB 3.82Å; Y971-R1080 VanDerWaalsContact CE1-O 3.28Å; Y971-R1080 WeakPolarHBondContact CE1-O 3.5Å; Y971-R1080 PolarHBondContact OH-O 3.44Å; G975-R1080 PolarHBondContact O-NE 3.46Å; I976-R1080 HydrophobicContact CG1-CG 4.34Å; Y979-R1080 VanDerWaalsContact CE1-NH2 3.26Å; Y979-R1080 VanDerWaalsContact CZ-NH2 3.34Å; M1042-R1080 HydrophobicContact CE-CB 3.99Å; L1076-R1080 VanDerWaalsContact O-CG 3.26Å; L1076-R1080 WeakPolarHBondContact O-CG 3.42Å; L1076-R1080 PolarHBondContact O-N 3.49Å; N1078-R1080 VanDerWaalsContact C-N 3.3Å; N1078-R1080 PolarHBondContact O-N 3.17Å; R1080-S1083 PolarHBondContact O-N 3.08Å |
| 1081 | W | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.7 | -41.4 | -178.6 | -174.4 | -116.7 | 0 | 0 | 0 | 112.8 | M968 V1035 L1038 R1039 M1042 G1077 N1078 S1083 L1084 Y1086 P1087 | M968-W1081 HydrophobicContact CE-CE3 3.96Å; M968-W1081 HydrophobicContact CE-CZ3 3.74Å; V1035-W1081 HydrophobicContact CG1-CH2 4.45Å; L1038-W1081 HydrophobicContact CB-CH2 4.49Å; L1038-W1081 HydrophobicContact CB-CZ3 4.46Å; R1039-W1081 HydrophobicContact CB-CH2 3.72Å; R1039-W1081 HydrophobicContact CB-CZ2 3.63Å; R1039-W1081 HydrophobicContact CG-CH2 4.33Å; R1039-W1081 HydrophobicContact CG-CZ2 3.79Å; M1042-W1081 HydrophobicContact CB-CE3 4.22Å; M1042-W1081 HydrophobicContact CG-CB 4.3Å; M1042-W1081 HydrophobicContact CG-CE3 4.25Å; G1077-W1081 WeakPolarHBondContact O-CB 3.25Å; G1077-W1081 PolarHBondContact O-N 3.05Å; N1078-W1081 PolarHBondContact O-N 3.01Å; W1081-S1083 VanDerWaalsContact C-N 3.32Å; W1081-S1083 PolarHBondContact O-N 3.4Å; W1081-L1084 HydrophobicContact CE3-CD1 4.36Å; W1081-L1084 HydrophobicContact CZ3-CD1 4.45Å; W1081-L1084 PolarHBondContact O-N 3Å; W1081-Y1086 AromaticContact CD2-CD2 3.95Å; W1081-Y1086 HydrophobicContact CD2-CD2 3.95Å; W1081-Y1086 HydrophobicContact CD2-CG 4.4Å; W1081-Y1086 VanDerWaalsContact CE2-CB 3.42Å; W1081-Y1086 AromaticContact CE2-CD2 3.68Å; W1081-Y1086 AromaticContact CE2-CG 3.74Å; W1081-Y1086 AromaticContact CE3-CD2 3.97Å; W1081-Y1086 HydrophobicContact CE3-CD2 3.97Å; W1081-Y1086 AromaticContact CH2-CD2 3.47Å; W1081-Y1086 HydrophobicContact CH2-CD2 3.47Å; W1081-Y1086 VanDerWaalsContact CH2-CD2 3.47Å; W1081-Y1086 AromaticContact CH2-CE2 3.68Å; W1081-Y1086 HydrophobicContact CH2-CE2 3.68Å; W1081-Y1086 HydrophobicContact CH2-CG 4.04Å; W1081-Y1086 HydrophobicContact CZ2-CD1 4.26Å; W1081-Y1086 AromaticContact CZ2-CD2 3.43Å; W1081-Y1086 HydrophobicContact CZ2-CD2 3.43Å; W1081-Y1086 VanDerWaalsContact CZ2-CD2 3.43Å; W1081-Y1086 HydrophobicContact CZ2-CE2 4.07Å; W1081-Y1086 AromaticContact CZ2-CG 3.54Å; W1081-Y1086 HydrophobicContact CZ2-CG 3.54Å; W1081-Y1086 AromaticContact CZ3-CD2 3.74Å; W1081-Y1086 HydrophobicContact CZ3-CD2 3.74Å; W1081-Y1086 AromaticContact CZ3-CE2 3.96Å; W1081-Y1086 HydrophobicContact CZ3-CE2 3.96Å; W1081-Y1086 VanDerWaalsContact NE1-CB 3.27Å; W1081-P1087 PolarHBondContact NE1-O 3.08Å |
| 1082 | T | 94.7 | Very high | 93.8 | Very high | 55 Ų | 55 | 31.7 Ų | 31.7 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.1 | -32.7 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | N1078 L1079 L1084 G1085 Y1086 A1088 | N1078-T1082 VanDerWaalsContact O-CB 3.29Å; N1078-T1082 WeakPolarHBondContact O-CB 3.36Å; N1078-T1082 VanDerWaalsContact O-CG2 3.22Å; N1078-T1082 WeakPolarHBondContact O-CG2 3.34Å; N1078-T1082 PolarHBondContact O-N 3.34Å; N1078-T1082 PolarHBondContact O-OG1 2.91Å; L1079-T1082 PolarHBondContact O-OG1 3.33Å; T1082-L1084 PolarHBondContact O-N 3.5Å; T1082-L1084 VanDerWaalsContact O-N 3.17Å; T1082-G1085 WeakPolarHBondContact O-CA 3.4Å; T1082-G1085 PolarHBondContact O-N 2.96Å; T1082-Y1086 VanDerWaalsContact CA-O 3.3Å; T1082-Y1086 WeakPolarHBondContact CA-O 3.43Å; T1082-Y1086 WeakPolarHBondContact CG2-O 3.21Å; T1082-A1088 HydrophobicContact CG2-CB 4.3Å |
| 1083 | S | 92.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.9 | 172.5 | -70.4 | 0 | 0 | 0 | 0 | 114.4 | L1079 R1080 W1081 G1085 | L1079-S1083 VanDerWaalsContact O-CB 3.26Å; L1079-S1083 WeakPolarHBondContact O-CB 3.26Å; L1079-S1083 PolarHBondContact O-N 3.49Å; L1079-S1083 VanDerWaalsContact O-N 3.12Å; L1079-S1083 PolarHBondContact O-OG 2.97Å; R1080-S1083 PolarHBondContact O-N 3.08Å; W1081-S1083 VanDerWaalsContact C-N 3.32Å; W1081-S1083 PolarHBondContact O-N 3.4Å; S1083-G1085 VanDerWaalsContact C-N 3.32Å |
| 1084 | L | 94.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.4 | 171.7 | -63 | 178.5 | 0 | 0 | 0 | 113.2 | M968 Y971 R1016 I1019 Q1023 W1081 T1082 Y1086 | M968-L1084 HydrophobicContact CE-CD1 4.43Å; M968-L1084 HydrophobicContact SD-CD1 4.18Å; Y971-L1084 HydrophobicContact CD1-CD1 3.87Å; Y971-L1084 HydrophobicContact CD1-CG 4.43Å; Y971-L1084 HydrophobicContact CE1-CD1 3.57Å; Y971-L1084 HydrophobicContact CE1-CD2 4.07Å; Y971-L1084 HydrophobicContact CE1-CG 3.7Å; R1016-L1084 HydrophobicContact CG-CD2 4.04Å; I1019-L1084 HydrophobicContact CB-CD2 4.17Å; I1019-L1084 HydrophobicContact CD1-CD2 4.38Å; I1019-L1084 HydrophobicContact CG2-CD1 4.48Å; I1019-L1084 HydrophobicContact CG2-CD2 3.94Å; Q1023-L1084 PolarHBondContact NE2-O 3.39Å; W1081-L1084 HydrophobicContact CE3-CD1 4.36Å; W1081-L1084 HydrophobicContact CZ3-CD1 4.45Å; W1081-L1084 PolarHBondContact O-N 3Å; T1082-L1084 PolarHBondContact O-N 3.5Å; T1082-L1084 VanDerWaalsContact O-N 3.17Å; L1084-Y1086 HydrophobicContact CB-CD2 3.77Å; L1084-Y1086 HydrophobicContact CB-CE2 3.83Å |
| 1085 | G | 91.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 15 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1082 S1083 | T1082-G1085 WeakPolarHBondContact O-CA 3.4Å; T1082-G1085 PolarHBondContact O-N 2.96Å; S1083-G1085 VanDerWaalsContact C-N 3.32Å |
| 1086 | Y | 93.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | trans | -105.1 | 156.3 | -177.7 | -58.6 | -63.9 | 0 | 0 | 0 | 113.3 | Q1023 V1035 W1081 T1082 L1084 | Q1023-Y1086 PolarHBondContact NE2-OH 2.86Å; V1035-Y1086 HydrophobicContact CG1-CD1 4.19Å; V1035-Y1086 HydrophobicContact CG1-CE1 3.55Å; V1035-Y1086 HydrophobicContact CG2-CE1 4.42Å; W1081-Y1086 AromaticContact CD2-CD2 3.95Å; W1081-Y1086 HydrophobicContact CD2-CD2 3.95Å; W1081-Y1086 HydrophobicContact CD2-CG 4.4Å; W1081-Y1086 VanDerWaalsContact CE2-CB 3.42Å; W1081-Y1086 AromaticContact CE2-CD2 3.68Å; W1081-Y1086 AromaticContact CE2-CG 3.74Å; W1081-Y1086 AromaticContact CE3-CD2 3.97Å; W1081-Y1086 HydrophobicContact CE3-CD2 3.97Å; W1081-Y1086 AromaticContact CH2-CD2 3.47Å; W1081-Y1086 HydrophobicContact CH2-CD2 3.47Å; W1081-Y1086 VanDerWaalsContact CH2-CD2 3.47Å; W1081-Y1086 AromaticContact CH2-CE2 3.68Å; W1081-Y1086 HydrophobicContact CH2-CE2 3.68Å; W1081-Y1086 HydrophobicContact CH2-CG 4.04Å; W1081-Y1086 HydrophobicContact CZ2-CD1 4.26Å; W1081-Y1086 AromaticContact CZ2-CD2 3.43Å; W1081-Y1086 HydrophobicContact CZ2-CD2 3.43Å; W1081-Y1086 VanDerWaalsContact CZ2-CD2 3.43Å; W1081-Y1086 HydrophobicContact CZ2-CE2 4.07Å; W1081-Y1086 AromaticContact CZ2-CG 3.54Å; W1081-Y1086 HydrophobicContact CZ2-CG 3.54Å; W1081-Y1086 AromaticContact CZ3-CD2 3.74Å; W1081-Y1086 HydrophobicContact CZ3-CD2 3.74Å; W1081-Y1086 AromaticContact CZ3-CE2 3.96Å; W1081-Y1086 HydrophobicContact CZ3-CE2 3.96Å; W1081-Y1086 VanDerWaalsContact NE1-CB 3.27Å; T1082-Y1086 VanDerWaalsContact CA-O 3.3Å; T1082-Y1086 WeakPolarHBondContact CA-O 3.43Å; T1082-Y1086 WeakPolarHBondContact CG2-O 3.21Å; L1084-Y1086 HydrophobicContact CB-CD2 3.77Å; L1084-Y1086 HydrophobicContact CB-CE2 3.83Å | ||
| 1087 | P | 91.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | trans | -63.4 | 151.3 | 174.7 | -21.1 | 33 | 0 | 0 | 0 | 112.6 | W1081 | W1081-P1087 PolarHBondContact NE1-O 3.08Š| ||
| 1088 | A | 93.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | trans | -47.5 | 138.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | T1082 E1094 | T1082-A1088 HydrophobicContact CG2-CB 4.3Å; A1088-E1094 HydrophobicContact CB-CG 4.15Å | ||
| 1089 | L | 92 | Very high | 91.1 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -78.6 | -37.9 | -178.8 | -173 | 60.3 | 0 | 0 | 0 | 111.7 | R1039 M1042 R1043 N1078 | R1039-L1089 HydrophobicContact CG-CD1 3.93Å; M1042-L1089 HydrophobicContact CB-CD2 4.41Å; M1042-L1089 HydrophobicContact CG-CD2 3.81Å; R1043-L1089 HydrophobicContact CB-CD2 4.31Å; N1078-L1089 WeakPolarHBondContact OD1-CA 3.45Å; N1078-L1089 PolarHBondContact OD1-N 3.38Å |
| 1090 | Y | 93.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -125.7 | 98.4 | -178.9 | -56 | -77.4 | 0 | 0 | 0 | 110.1 | V1046 R1074 N1078 G1092 F1093 | V1046-Y1090 HydrophobicContact CB-CE2 4.08Å; V1046-Y1090 WeakPolarHBondContact CB-OH 3.42Å; V1046-Y1090 HydrophobicContact CG1-CE2 3.52Å; V1046-Y1090 WeakPolarHBondContact CG1-OH 3.27Å; V1046-Y1090 HydrophobicContact CG2-CE2 4.13Å; R1074-Y1090 HydrophobicContact CB-CD2 3.98Å; R1074-Y1090 HydrophobicContact CB-CG 4.1Å; R1074-Y1090 HydrophobicContact CG-CD1 4.2Å; R1074-Y1090 HydrophobicContact CG-CD2 4.02Å; R1074-Y1090 HydrophobicContact CG-CE1 4.49Å; R1074-Y1090 HydrophobicContact CG-CE2 4.33Å; R1074-Y1090 HydrophobicContact CG-CG 3.96Å; N1078-Y1090 PolarHBondContact ND2-O 3.26Å; N1078-Y1090 PolarHBondContact OD1-N 3.33Å; Y1090-G1092 PolarHBondContact O-N 3.42Å; Y1090-F1093 PolarHBondContact O-N 3.21Å |
| 1091 | P | 89.9 | Confident | 90.4 | Very high | 109 Ų | 109 | 55.9 Ų | 55.9 | 71% | 0.708 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 135.4 | 179.3 | -26.1 | 34.8 | 0 | 0 | 0 | 112.8 | ||
| 1092 | G | 89.3 | Confident | 89.8 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 0.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1090 E1094 | Y1090-G1092 PolarHBondContact O-N 3.42Å; G1092-E1094 WeakPolarHBondContact CA-OE2 3.24Å; G1092-E1094 PolarHBondContact N-OE1 3.17Å; G1092-E1094 VanDerWaalsContact N-OE1 3.1Å; G1092-E1094 PolarHBondContact N-OE2 3.19Å |
| 1093 | F | 92.8 | Very high | 89.3 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 23% | 0.228 | 33% | 0.329 | C | S | . | . | trans | -119.4 | 34.5 | 177.3 | -59.7 | -84.4 | 0 | 0 | 0 | 111.3 | D1071 R1074 Y1075 N1078 Y1090 S1095 | D1071-F1093 HydrophobicContact CB-CD1 4.18Å; D1071-F1093 HydrophobicContact CB-CE1 3.77Å; D1071-F1093 WeakPolarHBondContact OD1-CE1 3.48Å; R1074-F1093 HydrophobicContact CB-CB 4.14Å; R1074-F1093 HydrophobicContact CB-CD1 4.17Å; R1074-F1093 HydrophobicContact CB-CD2 4.13Å; R1074-F1093 HydrophobicContact CB-CG 3.88Å; Y1075-F1093 WeakPolarHBondContact CA-O 3.48Å; N1078-F1093 PolarHBondContact ND2-O 3.49Å; Y1090-F1093 PolarHBondContact O-N 3.21Å; F1093-S1095 VanDerWaalsContact C-N 3.35Å | ||
| 1094 | E | 89.7 | Confident | 88.7 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -79.2 | -17.9 | -178.2 | -62.1 | 82.8 | 178.2 | 0 | 0 | 113.3 | A1088 G1092 | A1088-E1094 HydrophobicContact CB-CG 4.15Å; G1092-E1094 WeakPolarHBondContact CA-OE2 3.24Å; G1092-E1094 PolarHBondContact N-OE1 3.17Å; G1092-E1094 VanDerWaalsContact N-OE1 3.1Å; G1092-E1094 PolarHBondContact N-OE2 3.19Å |
| 1095 | S | 89.4 | Confident | 87.8 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -118.3 | 154.6 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | Y1075 F1093 | Y1075-S1095 WeakPolarHBondContact CD2-O 3.4Å; Y1075-S1095 VanDerWaalsContact CE2-C 3.47Å; F1093-S1095 VanDerWaalsContact C-N 3.35Å |
| 1096 | E | 88.5 | Confident | 87 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | trans | -54.9 | 130.4 | 175.7 | -170.8 | 171.3 | -150.5 | 0 | 0 | 109.5 | Y1075 E1098 S1104 L1134 | Y1075-E1096 HydrophobicContact CE1-CB 4.1Å; Y1075-E1096 HydrophobicContact CE1-CG 4.27Å; Y1075-E1096 HydrophobicContact CE2-CB 4.27Å; E1096-E1098 PolarHBondContact O-N 2.99Å; E1096-S1104 WeakPolarHBondContact OE2-CB 3.31Å; E1096-S1104 PolarHBondContact OE2-OG 3.47Å; E1096-L1134 HydrophobicContact CB-CD2 4.47Å; E1096-L1134 HydrophobicContact CG-CD2 4.31Å | ||
| 1097 | P | 88.2 | Confident | 86 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | trans | -60.9 | 136.1 | 178.7 | -22.5 | 32 | 0 | 0 | 0 | 111.1 | D1071 S1099 M1100 E1101 | D1071-P1097 HydrophobicContact CB-CB 4.28Å; D1071-P1097 HydrophobicContact CB-CG 3.83Å; P1097-S1099 PolarHBondContact O-N 3.46Å; P1097-M1100 HydrophobicContact CB-CB 4.23Å; P1097-M1100 HydrophobicContact CB-CG 4.31Å; P1097-M1100 CarbonylContact O-C 3.57Å; P1097-M1100 WeakPolarHBondContact O-CA 3.18Å; P1097-M1100 PolarHBondContact O-N 2.87Å; P1097-E1101 PolarHBondContact O-N 2.78Å; P1097-E1101 VanDerWaalsContact O-N 3.13Å | ||
| 1098 | E | 82.3 | Confident | 84.9 | Confident | 173 Ų | 173 | 54.8 Ų | 54.8 | 81% | 0.808 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -33.7 | 179.9 | -71.9 | -175.9 | 174.3 | 0 | 0 | 113 | E1096 M1100 | E1096-E1098 PolarHBondContact O-N 2.99Å; E1098-M1100 PolarHBondContact O-N 3.37Å |
| 1099 | S | 82.9 | Confident | 83.2 | Confident | 55 Ų | 55 | 55 Ų | 55 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.3 | 177.1 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | M1068 P1097 W1102 | M1068-S1099 VanDerWaalsContact CE-O 3.32Å; M1068-S1099 WeakPolarHBondContact CE-O 3.47Å; P1097-S1099 PolarHBondContact O-N 3.46Å; S1099-W1102 PolarHBondContact O-NE1 3.01Å |
| 1100 | M | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -3.6 | -171.7 | -63.3 | -61.3 | -76.2 | 0 | 0 | 113.9 | M983 L1064 M1068 Y1072 P1097 E1098 W1102 V1103 | M983-M1100 HydrophobicContact CG-CE 3.63Å; M983-M1100 HydrophobicContact SD-CE 3.19Å; M983-M1100 WeakPolarHBondContact SD-CE 3.28Å; L1064-M1100 HydrophobicContact CD2-CE 4.1Å; L1064-M1100 HydrophobicContact CD2-SD 4.26Å; M1068-M1100 HydrophobicContact CB-CG 4.34Å; M1068-M1100 HydrophobicContact CB-SD 3.79Å; M1068-M1100 HydrophobicContact CE-SD 3.43Å; M1068-M1100 WeakPolarHBondContact CE-SD 3.31Å; M1068-M1100 HydrophobicContact CG-SD 4.37Å; Y1072-M1100 HydrophobicContact CD1-CE 4.17Å; Y1072-M1100 HydrophobicContact CD2-CB 4.16Å; Y1072-M1100 HydrophobicContact CD2-CE 4.29Å; Y1072-M1100 HydrophobicContact CG-CE 3.82Å; P1097-M1100 HydrophobicContact CB-CB 4.23Å; P1097-M1100 HydrophobicContact CB-CG 4.31Å; P1097-M1100 CarbonylContact O-C 3.57Å; P1097-M1100 WeakPolarHBondContact O-CA 3.18Å; P1097-M1100 PolarHBondContact O-N 2.87Å; E1098-M1100 PolarHBondContact O-N 3.37Å; M1100-W1102 HydrophobicContact CE-CZ2 4.17Å; M1100-W1102 PolarHBondContact O-N 2.92Å; M1100-W1102 HydrophobicContact SD-CZ2 4.07Å; M1100-V1103 HydrophobicContact CB-CG2 4.44Å; M1100-V1103 HydrophobicContact CE-CG2 3.68Å; M1100-V1103 VanDerWaalsContact O-CB 3.28Å; M1100-V1103 WeakPolarHBondContact O-CB 3.41Å; M1100-V1103 VanDerWaalsContact O-CG2 3.25Å; M1100-V1103 WeakPolarHBondContact O-CG2 3.45Å; M1100-V1103 PolarHBondContact O-N 2.96Å; M1100-V1103 HydrophobicContact SD-CG2 4.48Å |
| 1101 | E | 83.5 | Confident | 79.4 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -18 | 175.6 | -75 | -176.7 | 178.7 | 0 | 0 | 115 | P1097 V1103 S1104 | P1097-E1101 PolarHBondContact O-N 2.78Å; P1097-E1101 VanDerWaalsContact O-N 3.13Å; E1101-V1103 PolarHBondContact O-N 2.91Å; E1101-S1104 PolarHBondContact O-OG 3.32Å |
| 1102 | W | 82.8 | Confident | 77.4 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.4 | -20.2 | 174.1 | 61.8 | -88.6 | 0 | 0 | 0 | 112.1 | M983 N987 L1064 S1099 M1100 Q1105 Y1106 | M983-W1102 HydrophobicContact CG-CH2 4.26Å; N987-W1102 HydrophobicContact CB-CH2 3.7Å; N987-W1102 HydrophobicContact CB-CZ3 4.24Å; L1064-W1102 HydrophobicContact CD2-CH2 4.32Å; L1064-W1102 HydrophobicContact CD2-CZ2 3.85Å; S1099-W1102 PolarHBondContact O-NE1 3.01Å; M1100-W1102 HydrophobicContact CE-CZ2 4.17Å; M1100-W1102 PolarHBondContact O-N 2.92Å; M1100-W1102 HydrophobicContact SD-CZ2 4.07Å; W1102-Q1105 PolarHBondContact O-N 3.07Å; W1102-Y1106 HydrophobicContact CE3-CD2 4.34Å; W1102-Y1106 VanDerWaalsContact O-CD2 3.23Å; W1102-Y1106 WeakPolarHBondContact O-CD2 3.21Å; W1102-Y1106 PolarHBondContact O-N 3.48Å |
| 1103 | V | 85 | Confident | 75 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.3 | -49.5 | -178 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | M983 Y986 Y1072 M1100 E1101 Q1105 Y1106 A1107 | M983-V1103 HydrophobicContact CB-CG1 4.36Å; M983-V1103 HydrophobicContact CG-CG1 4.45Å; M983-V1103 HydrophobicContact CG-CG2 3.86Å; Y986-V1103 HydrophobicContact CD2-CG1 4.15Å; Y1072-V1103 HydrophobicContact CE1-CG1 4.41Å; Y1072-V1103 HydrophobicContact CE2-CB 4.35Å; Y1072-V1103 HydrophobicContact CE2-CG1 4.1Å; Y1072-V1103 WeakPolarHBondContact OH-CG1 3.35Å; M1100-V1103 HydrophobicContact CB-CG2 4.44Å; M1100-V1103 HydrophobicContact CE-CG2 3.68Å; M1100-V1103 VanDerWaalsContact O-CB 3.28Å; M1100-V1103 WeakPolarHBondContact O-CB 3.41Å; M1100-V1103 VanDerWaalsContact O-CG2 3.25Å; M1100-V1103 WeakPolarHBondContact O-CG2 3.45Å; M1100-V1103 PolarHBondContact O-N 2.96Å; M1100-V1103 HydrophobicContact SD-CG2 4.48Å; E1101-V1103 PolarHBondContact O-N 2.91Å; V1103-Q1105 VanDerWaalsContact C-N 3.32Å; V1103-Q1105 PolarHBondContact O-N 3.23Å; V1103-Y1106 PolarHBondContact O-N 2.71Å; V1103-A1107 VanDerWaalsContact O-CB 3.29Å; V1103-A1107 WeakPolarHBondContact O-CB 3.39Å; V1103-A1107 PolarHBondContact O-N 2.77Å |
| 1104 | S | 79.4 | Confident | 72.6 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55 | -45.6 | 173.5 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | E1096 E1101 Y1106 A1107 D1108 | E1096-S1104 WeakPolarHBondContact OE2-CB 3.31Å; E1096-S1104 PolarHBondContact OE2-OG 3.47Å; E1101-S1104 PolarHBondContact O-OG 3.32Å; S1104-Y1106 VanDerWaalsContact C-N 3.31Å; S1104-Y1106 PolarHBondContact O-N 2.81Å; S1104-A1107 PolarHBondContact O-N 3.11Å; S1104-D1108 PolarHBondContact O-N 2.95Å; S1104-D1108 VanDerWaalsContact O-N 3.15Å |
| 1105 | Q | 76.6 | Confident | 69.9 | Low | 117 Ų | 117 | 70.8 Ų | 70.8 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 178.5 | -63.3 | 174.3 | 21.4 | 0 | 0 | 113.2 | W1102 V1103 | W1102-Q1105 PolarHBondContact O-N 3.07Å; V1103-Q1105 VanDerWaalsContact C-N 3.32Å; V1103-Q1105 PolarHBondContact O-N 3.23Å |
| 1106 | Y | 74.2 | Confident | 67.3 | Low | 74 Ų | 74 | 74.3 Ų | 74.3 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -86.1 | -17.3 | 179 | -84.5 | -105.6 | 0 | 0 | 0 | 113.4 | R990 R1002 W1102 V1103 S1104 | R990-Y1106 HydrophobicContact CB-CD1 4.43Å; R990-Y1106 HydrophobicContact CB-CE1 3.8Å; R990-Y1106 HydrophobicContact CB-CE2 4.39Å; R990-Y1106 HydrophobicContact CG-CE1 4.35Å; R990-Y1106 HydrophobicContact CG-CE2 4.21Å; R1002-Y1106 WeakPolarHBondContact CD-O 3.48Å; R1002-Y1106 WeakPolarHBondContact CG-O 3.27Å; R1002-Y1106 PolarHBondContact NH1-O 3.28Å; W1102-Y1106 HydrophobicContact CE3-CD2 4.34Å; W1102-Y1106 VanDerWaalsContact O-CD2 3.23Å; W1102-Y1106 WeakPolarHBondContact O-CD2 3.21Å; W1102-Y1106 PolarHBondContact O-N 3.48Å; V1103-Y1106 PolarHBondContact O-N 2.71Å; S1104-Y1106 VanDerWaalsContact C-N 3.31Å; S1104-Y1106 PolarHBondContact O-N 2.81Å |
| 1107 | A | 72.8 | Confident | 64.9 | Low | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -77.1 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y986 V1103 S1104 A1109 | Y986-A1107 HydrophobicContact CD2-CB 4.44Å; Y986-A1107 HydrophobicContact CE2-CB 3.69Å; V1103-A1107 VanDerWaalsContact O-CB 3.29Å; V1103-A1107 WeakPolarHBondContact O-CB 3.39Å; V1103-A1107 PolarHBondContact O-N 2.77Å; S1104-A1107 PolarHBondContact O-N 3.11Å; A1107-A1109 PolarHBondContact O-N 3.01Å; A1107-A1109 VanDerWaalsContact O-N 3.13Å |
| 1108 | D | 67.1 | Low | 62.8 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | trans | -72.1 | 105.2 | 179.6 | -173.1 | 1 | 0 | 0 | 0 | 111.9 | S1104 N1110 M1111 | S1104-D1108 PolarHBondContact O-N 2.95Å; S1104-D1108 VanDerWaalsContact O-N 3.15Å; D1108-N1110 PolarHBondContact O-N 3.46Å; D1108-N1110 VanDerWaalsContact OD1-CB 3.3Å; D1108-N1110 WeakPolarHBondContact OD1-CB 3.42Å; D1108-N1110 PolarHBondContact OD1-N 3.44Å; D1108-M1111 HydrophobicContact CB-CB 4.23Å; D1108-M1111 HydrophobicContact CB-CG 3.99Å; D1108-M1111 PolarHBondContact O-N 3.42Å; D1108-M1111 VanDerWaalsContact OD2-CG 3.27Å; D1108-M1111 WeakPolarHBondContact OD2-CG 3.5Å | ||
| 1109 | A | 57.6 | Low | 60.7 | Low | 31 Ų | 31 | 82.7 Ų | 82.7 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1107 | A1107-A1109 PolarHBondContact O-N 3.01Å; A1107-A1109 VanDerWaalsContact O-N 3.13Å |
| 1110 | N | 55.2 | Low | 58.4 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -20.4 | -179.8 | -64 | -42.3 | 0 | 0 | 0 | 113.3 | D1108 V1112 | D1108-N1110 PolarHBondContact O-N 3.46Å; D1108-N1110 VanDerWaalsContact OD1-CB 3.3Å; D1108-N1110 WeakPolarHBondContact OD1-CB 3.42Å; D1108-N1110 PolarHBondContact OD1-N 3.44Å; N1110-V1112 VanDerWaalsContact C-N 3.34Å |
| 1111 | M | 50.6 | Low | 55.8 | Low | 146 Ų | 146 | 94.6 Ų | 94.6 | 72% | 0.719 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.9 | 176.9 | -77.4 | -83.4 | 170.3 | 0 | 0 | 112.6 | D1108 K1113 | D1108-M1111 HydrophobicContact CB-CB 4.23Å; D1108-M1111 HydrophobicContact CB-CG 3.99Å; D1108-M1111 PolarHBondContact O-N 3.42Å; D1108-M1111 VanDerWaalsContact OD2-CG 3.27Å; D1108-M1111 WeakPolarHBondContact OD2-CG 3.5Å; M1111-K1113 PolarHBondContact O-N 2.91Å |
| 1112 | V | 48.7 | Very low | 53.8 | Low | 67 Ų | 67 | 93 Ų | 93 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | trans | -92 | 99.4 | -178.4 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | N1110 | N1110-V1112 VanDerWaalsContact C-N 3.34Š| ||
| 1113 | K | 38.2 | Very low | 51.7 | Low | 197 Ų | 197 | 95.5 Ų | 95.5 | 86% | 0.857 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 119.8 | 171.6 | -81.7 | -175.3 | 176.5 | 176.9 | 0 | 111.5 | M1111 | M1111-K1113 PolarHBondContact O-N 2.91Š|
| 1114 | T | 42.1 | Very low | 49.3 | Very low | 92 Ų | 92 | 105.5 Ų | 105.5 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 152 | 167.2 | 13.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1115 | D | 33.8 | Very low | 47.1 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.6 | 176.3 | -160 | -17.2 | 0 | 0 | 0 | 110.9 | F1117 E1118 | D1115-F1117 PolarHBondContact O-N 3.26Å; D1115-F1117 VanDerWaalsContact O-N 3.09Å; D1115-E1118 PolarHBondContact O-N 2.93Å |
| 1116 | F | 35.4 | Very low | 45.3 | Very low | 161 Ų | 161 | 106.6 Ų | 106.6 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.7 | -171.7 | -178.5 | -93.6 | 0 | 0 | 0 | 113.6 | ||
| 1117 | F | 38.2 | Very low | 43.5 | Very low | 184 Ų | 184 | 106 Ų | 106 | 81% | 0.807 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -14.3 | 179.2 | -71.2 | -78 | 0 | 0 | 0 | 114.4 | D1115 | D1115-F1117 PolarHBondContact O-N 3.26Å; D1115-F1117 VanDerWaalsContact O-N 3.09Å |
| 1118 | E | 43.2 | Very low | 41.6 | Very low | 164 Ų | 164 | 111.6 Ų | 111.6 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -18.3 | -174.6 | -67.9 | -168 | 159.5 | 0 | 0 | 113.7 | D1115 | D1115-E1118 PolarHBondContact O-N 2.93Š|
| 1119 | A | 38.7 | Very low | 40.1 | Very low | 42 Ų | 42 | 112.3 Ų | 112.3 | 35% | 0.347 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -148.7 | 148.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1121 | A1119-S1121 PolarHBondContact O-N 2.94Š|
| 1120 | R | 34.8 | Very low | 39.2 | Very low | 234 Ų | 234 | 115.8 Ų | 115.8 | 88% | 0.883 | 61% | 0.61 | S | S | * | * | trans | -59.8 | 129.7 | 173.5 | -113.8 | -178.3 | 176.6 | -177 | -0.1 | 109.4 | T1122 | R1120-T1122 VanDerWaalsContact C-N 3.33Å; R1120-T1122 PolarHBondContact O-N 3.45Å | ||
| 1121 | S | 33.8 | Very low | 38.3 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | trans | -57.7 | 85.8 | 173.1 | 156.6 | 0 | 0 | 0 | 0 | 111.8 | A1119 | A1119-S1121 PolarHBondContact O-N 2.94Š| ||
| 1122 | T | 41.2 | Very low | 37.7 | Very low | 63 Ų | 63 | 114.3 Ų | 114.3 | 39% | 0.387 | 60% | 0.604 | S | S | . | * | trans | -87.5 | -18.2 | 167.3 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | R1120 Y1124 | R1120-T1122 VanDerWaalsContact C-N 3.33Å; R1120-T1122 PolarHBondContact O-N 3.45Å; T1122-Y1124 PolarHBondContact O-N 3.41Å | ||
| 1123 | A | 39.5 | Very low | 37.1 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -20.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1124 | Y | 34.9 | Very low | 36.8 | Very low | 212 Ų | 212 | 109.6 Ų | 109.6 | 83% | 0.831 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -2.8 | -179 | -77.7 | -74.9 | 0 | 0 | 0 | 115.2 | T1122 | T1122-Y1124 PolarHBondContact O-N 3.41Š|
| 1125 | A | 33.2 | Very low | 36.6 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 72% | 0.719 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -115.3 | -5.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1126 | K | 37.5 | Very low | 36.7 | Very low | 76 Ų | 76 | 110.7 Ų | 110.7 | 33% | 0.33 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -127.8 | 127.9 | -169.8 | -68.9 | 177.6 | 172 | -155.2 | 0 | 111.1 | N838 F840 | N838-K1126 WeakPolarHBondContact O-CD 3.42Å; N838-K1126 WeakPolarHBondContact O-CE 3.47Å; N838-K1126 PolarHBondContact O-NZ 2.9Å; F840-K1126 PolarHBondContact O-NZ 3.41Å |
| 1127 | S | 36.4 | Very low | 36.8 | Very low | 62 Ų | 62 | 107.9 Ų | 107.9 | 43% | 0.434 | 58% | 0.58 | S | S | . | * | trans | -63.9 | 158.5 | -158.7 | 50 | 0 | 0 | 0 | 0 | 116.1 | N838 A1129 | N838-S1127 PolarHBondContact ND2-OG 2.84Å; S1127-A1129 PolarHBondContact O-N 3.4Å | ||
| 1128 | T | 33 | Very low | 36.7 | Very low | 131 Ų | 131 | 103.4 Ų | 103.4 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | trans | -27.2 | 118.2 | 159.3 | 40.8 | 0 | 0 | 0 | 0 | 112.7 | L1130 | T1128-L1130 PolarHBondContact O-N 3.09Š| ||
| 1129 | A | 37.2 | Very low | 36.3 | Very low | 60 Ų | 60 | 99.6 Ų | 99.6 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | trans | -52.8 | 134.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108 | S1127 | S1127-A1129 PolarHBondContact O-N 3.4Š| ||
| 1130 | L | 37.7 | Very low | 36.1 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -50.9 | 147.8 | 153.7 | -98.2 | 153.3 | 0 | 0 | 0 | 107.2 | W1013 T1128 D1132 | W1013-L1130 HydrophobicContact CH2-CD1 4.5Å; W1013-L1130 HydrophobicContact CZ3-CD1 4.41Å; T1128-L1130 PolarHBondContact O-N 3.09Å; L1130-D1132 PolarHBondContact O-N 3.35Å | ||
| 1131 | I | 35.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 94.1 Ų | 94.1 | 72% | 0.723 | 55% | 0.546 | S | S | * | . | trans | -40.7 | 109.8 | 170 | -62.5 | 169.1 | 0 | 0 | 0 | 106.3 | D1133 | I1131-D1133 VanDerWaalsContact C-N 3.34Å; I1131-D1133 PolarHBondContact O-N 3.06Å | ||
| 1132 | D | 38.5 | Very low | 36.4 | Very low | 70 Ų | 70 | 95.8 Ų | 95.8 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | trans | -63.7 | 106.3 | 169 | -166.7 | 2 | 0 | 0 | 0 | 102.7 | L1130 L1134 | L1130-D1132 PolarHBondContact O-N 3.35Å; D1132-L1134 PolarHBondContact O-N 2.77Å; D1132-L1134 WeakPolarHBondContact OD2-CD1 3.4Å | ||
| 1133 | D | 36.1 | Very low | 36 | Very low | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | trans | -72.6 | 43.9 | 174.7 | -66.5 | -27.5 | 0 | 0 | 0 | 109.1 | L1079 I1131 | L1079-D1133 WeakPolarHBondContact CD1-O 3.31Å; L1079-D1133 VanDerWaalsContact CD2-O 3.26Å; L1079-D1133 WeakPolarHBondContact CD2-O 3.18Å; I1131-D1133 VanDerWaalsContact C-N 3.34Å; I1131-D1133 PolarHBondContact O-N 3.06Å | ||
| 1134 | L | 33 | Very low | 35.7 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 39% | 0.393 | 56% | 0.557 | S | S | . | * | trans | -67.5 | 0 | 154.9 | -99.4 | 152.2 | 0 | 0 | 0 | 109.2 | Y1075 E1096 D1132 | Y1075-L1134 HydrophobicContact CE1-CD2 3.83Å; Y1075-L1134 VanDerWaalsContact OH-CA 3.26Å; Y1075-L1134 WeakPolarHBondContact OH-CA 3.48Å; Y1075-L1134 VanDerWaalsContact OH-CD2 3.28Å; Y1075-L1134 WeakPolarHBondContact OH-CD2 3.25Å; Y1075-L1134 PolarHBondContact OH-OXT 3.39Å; E1096-L1134 HydrophobicContact CB-CD2 4.47Å; E1096-L1134 HydrophobicContact CG-CD2 4.31Å; D1132-L1134 PolarHBondContact O-N 2.77Å; D1132-L1134 WeakPolarHBondContact OD2-CD1 3.4Å |
Retrieved 1,134 of 1,134 residues in 2594.5 ms
(Link to these results)