| 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 | 42.3 | Very low | 74.7 | Confident | 197 Ų | 197 | 95.3 Ų | 95.3 | 97% | 0.97 | 53% | 0.534 | S | S | * | . | 0 | 144.4 | 0 | -63.2 | -136.6 | -138.9 | 0 | 0 | 108.3 | T3 | M1-T3 PolarHBondContact O-N 3.46Š| |||
| 2 | P | 46.8 | Very low | 76.1 | Confident | 118 Ų | 118 | 91.9 Ų | 91.9 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | trans | -63.4 | 129.7 | 173.9 | 23.2 | -26.5 | 0 | 0 | 0 | 109.6 | V4 | P2-V4 PolarHBondContact O-N 2.75Š| ||
| 3 | T | 54.5 | Low | 77.4 | Confident | 83 Ų | 83 | 87 Ų | 87 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | trans | -57.9 | 114.4 | 174.1 | 29.3 | 0 | 0 | 0 | 0 | 109.5 | M1 T5 | M1-T3 PolarHBondContact O-N 3.46Å; T3-T5 PolarHBondContact O-N 3.09Å; T3-T5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | V | 65.4 | Low | 78.5 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | trans | -81.9 | 93.9 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | P2 F42 H45 | P2-V4 PolarHBondContact O-N 2.75Å; V4-F42 HydrophobicContact CG1-CD1 3.93Å; V4-F42 HydrophobicContact CG1-CE1 4.03Å; V4-H45 PolarHBondContact O-CD2 2.6Å; V4-H45 VanDerWaalsContact O-CD2 3.23Å; V4-H45 PolarHBondContact O-NE2 3.13Å | ||
| 5 | T | 74.6 | Confident | 79.4 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 74% | 0.736 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 131.4 | 175.5 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | T3 | T3-T5 PolarHBondContact O-N 3.09Å; T3-T5 VanDerWaalsContact O-N 3.17Å |
| 6 | L | 87.5 | Confident | 80.2 | Confident | 25 Ų | 25 | 87.6 Ų | 87.6 | 13% | 0.131 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 137.9 | 178.9 | -68.8 | 176.6 | 0 | 0 | 0 | 112.4 | E10 N11 F14 I36 F42 | L6-E10 HydrophobicContact CB-CB 4.2Å; L6-E10 HydrophobicContact CD1-CB 4.48Å; L6-E10 HydrophobicContact CD2-CB 3.99Å; L6-E10 HydrophobicContact CG-CB 4.46Å; L6-N11 HydrophobicContact CB-CB 4.18Å; L6-F14 HydrophobicContact CD1-CB 3.73Å; L6-F14 HydrophobicContact CD1-CD2 4.34Å; L6-F14 HydrophobicContact CD1-CG 4.04Å; L6-I36 HydrophobicContact CD1-CD1 4.48Å; L6-I36 HydrophobicContact CD2-CG2 4.14Å; L6-F42 HydrophobicContact CD2-CB 4.36Å; L6-F42 HydrophobicContact CD2-CD1 3.85Å; L6-F42 HydrophobicContact CD2-CD2 4.49Å; L6-F42 HydrophobicContact CD2-CE1 4.29Å; L6-F42 HydrophobicContact CD2-CG 3.97Å |
| 7 | P | 89.3 | Confident | 81 | Confident | 51 Ų | 51 | 82.4 Ų | 82.4 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 164.7 | 169.4 | -18.3 | 29.6 | 0 | 0 | 0 | 112.6 | K9 E10 N11 F42 | P7-K9 VanDerWaalsContact C-N 3.29Å; P7-K9 PolarHBondContact O-N 2.71Å; P7-K9 VanDerWaalsContact O-N 3.12Å; P7-E10 PolarHBondContact O-N 3.23Å; P7-N11 VanDerWaalsContact O-CB 3.25Å; P7-N11 WeakPolarHBondContact O-CB 3.41Å; P7-N11 PolarHBondContact O-N 3.14Å; P7-F42 HydrophobicContact CG-CE1 4.37Å; P7-F42 HydrophobicContact CG-CE2 4.2Å; P7-F42 HydrophobicContact CG-CZ 3.55Å |
| 8 | P | 90.4 | Very high | 81.5 | Confident | 117 Ų | 117 | 81.2 Ų | 81.2 | 76% | 0.76 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.1 | -37.4 | -173.6 | -28.3 | 35.1 | 0 | 0 | 0 | 115.4 | A12 | P8-A12 WeakPolarHBondContact O-CB 3.32Å; P8-A12 PolarHBondContact O-N 3.43Å |
| 9 | K | 89.4 | Confident | 82 | Confident | 164 Ų | 164 | 85.7 Ų | 85.7 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.5 | -49.5 | -179.4 | -175.3 | -177.6 | 178.4 | -177.1 | 0 | 111.5 | P7 A12 L13 | P7-K9 VanDerWaalsContact C-N 3.29Å; P7-K9 PolarHBondContact O-N 2.71Å; P7-K9 VanDerWaalsContact O-N 3.12Å; K9-A12 WeakPolarHBondContact O-CB 3.46Å; K9-A12 PolarHBondContact O-N 3.21Å; K9-L13 PolarHBondContact O-N 3.29Å |
| 10 | E | 90.7 | Very high | 82.5 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 16% | 0.159 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.8 | -34 | 176.6 | -69.8 | 77.4 | -176 | 0 | 0 | 111.9 | L6 P7 A12 L13 F14 F42 | L6-E10 HydrophobicContact CB-CB 4.2Å; L6-E10 HydrophobicContact CD1-CB 4.48Å; L6-E10 HydrophobicContact CD2-CB 3.99Å; L6-E10 HydrophobicContact CG-CB 4.46Å; P7-E10 PolarHBondContact O-N 3.23Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-L13 WeakPolarHBondContact O-CB 3.24Å; E10-L13 PolarHBondContact O-N 3.44Å; E10-F14 PolarHBondContact O-N 2.89Å; E10-F42 HydrophobicContact CG-CD2 4.02Å; E10-F42 HydrophobicContact CG-CE2 3.93Å |
| 11 | N | 90.8 | Very high | 82.8 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 173.5 | -170.3 | 13.1 | 0 | 0 | 0 | 111.6 | L6 P7 L13 F14 K15 | L6-N11 HydrophobicContact CB-CB 4.18Å; P7-N11 VanDerWaalsContact O-CB 3.25Å; P7-N11 WeakPolarHBondContact O-CB 3.41Å; P7-N11 PolarHBondContact O-N 3.14Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-L13 PolarHBondContact O-N 3.41Å; N11-F14 PolarHBondContact O-N 2.89Å; N11-K15 WeakPolarHBondContact O-CG 3.29Å; N11-K15 PolarHBondContact O-N 2.88Å |
| 12 | A | 91.9 | Very high | 84.9 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P8 K9 E10 R16 | P8-A12 WeakPolarHBondContact O-CB 3.32Å; P8-A12 PolarHBondContact O-N 3.43Å; K9-A12 WeakPolarHBondContact O-CB 3.46Å; K9-A12 PolarHBondContact O-N 3.21Å; E10-A12 VanDerWaalsContact C-N 3.35Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 2.76Å |
| 13 | L | 92.7 | Very high | 87.1 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 171.8 | -69.6 | 172.6 | 0 | 0 | 0 | 111.4 | K9 E10 N11 K15 R16 I17 F32 Q35 I36 | K9-L13 PolarHBondContact O-N 3.29Å; E10-L13 WeakPolarHBondContact O-CB 3.24Å; E10-L13 PolarHBondContact O-N 3.44Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-L13 PolarHBondContact O-N 3.41Å; L13-K15 PolarHBondContact O-N 3.45Å; L13-R16 WeakPolarHBondContact O-CA 3.34Å; L13-R16 WeakPolarHBondContact O-CB 3.48Å; L13-R16 PolarHBondContact O-N 2.95Å; L13-R16 VanDerWaalsContact O-N 3.08Å; L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 3.15Å; L13-F32 HydrophobicContact CD2-CD1 4.08Å; L13-Q35 HydrophobicContact CD1-CB 4.31Å; L13-I36 HydrophobicContact CB-CD1 3.87Å; L13-I36 HydrophobicContact CB-CG1 3.95Å; L13-I36 HydrophobicContact CD1-CG1 4.2Å |
| 14 | F | 92.5 | Very high | 88.8 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 4% | 0.044 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 178.6 | -172.7 | -104.9 | 0 | 0 | 0 | 112.7 | L6 E10 N11 R16 I17 L18 I36 E47 M51 V81 | L6-F14 HydrophobicContact CD1-CB 3.73Å; L6-F14 HydrophobicContact CD1-CD2 4.34Å; L6-F14 HydrophobicContact CD1-CG 4.04Å; E10-F14 PolarHBondContact O-N 2.89Å; N11-F14 PolarHBondContact O-N 2.89Å; F14-R16 PolarHBondContact O-N 3.11Å; F14-I17 HydrophobicContact CD2-CD1 4.33Å; F14-I17 WeakPolarHBondContact O-CB 3.44Å; F14-I17 PolarHBondContact O-N 3.07Å; F14-L18 HydrophobicContact CD1-CD1 4.39Å; F14-L18 HydrophobicContact CE1-CD1 4.07Å; F14-L18 HydrophobicContact CE1-CG 4.41Å; F14-L18 PolarHBondContact O-N 3.12Å; F14-L18 VanDerWaalsContact O-N 3.14Å; F14-I36 HydrophobicContact CB-CD1 4.04Å; F14-E47 HydrophobicContact CE2-CB 3.89Å; F14-E47 HydrophobicContact CZ-CB 3.63Å; F14-M51 HydrophobicContact CE2-CB 4.42Å; F14-M51 HydrophobicContact CE2-CG 3.83Å; F14-M51 HydrophobicContact CZ-CG 3.97Å; F14-V81 HydrophobicContact CZ-CG1 4.3Å |
| 15 | K | 91.8 | Very high | 90.1 | Very high | 124 Ų | 124 | 82.6 Ų | 82.6 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 172.4 | -69.9 | -179.3 | -178.8 | -176.7 | 0 | 112.8 | N11 L13 R19 | N11-K15 WeakPolarHBondContact O-CG 3.29Å; N11-K15 PolarHBondContact O-N 2.88Å; L13-K15 PolarHBondContact O-N 3.45Å; K15-R19 PolarHBondContact O-N 2.96Å |
| 16 | R | 93.2 | Very high | 91 | Very high | 136 Ų | 136 | 78.7 Ų | 78.7 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.6 | -35.5 | 173.2 | -68.3 | 174.8 | 82.8 | 172.2 | 8.3 | 111.9 | A12 L13 F14 L18 R19 C20 F32 | A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 2.76Å; L13-R16 WeakPolarHBondContact O-CA 3.34Å; L13-R16 WeakPolarHBondContact O-CB 3.48Å; L13-R16 PolarHBondContact O-N 2.95Å; L13-R16 VanDerWaalsContact O-N 3.08Å; F14-R16 PolarHBondContact O-N 3.11Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-R19 PolarHBondContact O-N 3Å; R16-C20 WeakPolarHBondContact O-CB 3.29Å; R16-C20 PolarHBondContact O-N 3.23Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-C20 VanDerWaalsContact O-SG 3.32Å; R16-F32 HydrophobicContact CB-CD2 4.28Å; R16-F32 HydrophobicContact CB-CE2 4.41Å |
| 17 | I | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 173.7 | -65 | 164.6 | 0 | 0 | 0 | 110.2 | L13 F14 R19 C20 Y21 F32 C33 I36 T48 M51 | L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 3.15Å; F14-I17 HydrophobicContact CD2-CD1 4.33Å; F14-I17 WeakPolarHBondContact O-CB 3.44Å; F14-I17 PolarHBondContact O-N 3.07Å; I17-R19 PolarHBondContact O-N 3.33Å; I17-C20 WeakPolarHBondContact O-CB 3.07Å; I17-C20 PolarHBondContact O-N 3.5Å; I17-Y21 PolarHBondContact O-N 2.85Å; I17-F32 HydrophobicContact CD1-CB 4.19Å; I17-F32 HydrophobicContact CG1-CB 3.55Å; I17-C33 HydrophobicContact CD1-CB 4.28Å; I17-C33 VanDerWaalsContact CG2-SG 3.6Å; I17-I36 HydrophobicContact CD1-CD1 3.66Å; I17-T48 HydrophobicContact CD1-CG2 4.25Å; I17-M51 HydrophobicContact CG2-CB 3.9Å; I17-M51 HydrophobicContact CG2-CE 4.32Å; I17-M51 HydrophobicContact CG2-CG 4.47Å |
| 18 | L | 89.7 | Confident | 91.4 | Very high | 60 Ų | 60 | 88 Ų | 88 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 177.3 | -66.9 | 172.4 | 0 | 0 | 0 | 111.9 | F14 R16 C20 Y21 E22 M51 | F14-L18 HydrophobicContact CD1-CD1 4.39Å; F14-L18 HydrophobicContact CE1-CD1 4.07Å; F14-L18 HydrophobicContact CE1-CG 4.41Å; F14-L18 PolarHBondContact O-N 3.12Å; F14-L18 VanDerWaalsContact O-N 3.14Å; R16-L18 VanDerWaalsContact C-N 3.35Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.03Å; L18-Y21 WeakPolarHBondContact O-CB 3.3Å; L18-Y21 PolarHBondContact O-N 3.27Å; L18-Y21 VanDerWaalsContact O-N 3.11Å; L18-E22 WeakPolarHBondContact O-CG 3.38Å; L18-E22 PolarHBondContact O-N 3.33Å; L18-M51 HydrophobicContact CD2-CE 3.74Å; L18-M51 HydrophobicContact CD2-CG 4.27Å; L18-M51 HydrophobicContact CD2-SD 3.68Å |
| 19 | R | 90.6 | Very high | 91.5 | Very high | 167 Ų | 167 | 82.4 Ų | 82.4 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.2 | -39.2 | 176.2 | -69.9 | -178.5 | -176.9 | -179.5 | -0 | 113 | K15 R16 I17 Y21 E22 H23 | K15-R19 PolarHBondContact O-N 2.96Å; R16-R19 PolarHBondContact O-N 3Å; I17-R19 PolarHBondContact O-N 3.33Å; R19-Y21 VanDerWaalsContact C-N 3.26Å; R19-Y21 PolarHBondContact O-N 2.9Å; R19-E22 PolarHBondContact O-N 3.04Å; R19-H23 WeakPolarHBondContact O-CB 3.36Å; R19-H23 PolarHBondContact O-CD2 3.18Å; R19-H23 PolarHBondContact O-N 3.5Å |
| 20 | C | 91.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 76.5 Ų | 76.5 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 175.3 | -76.2 | 0 | 0 | 0 | 0 | 111.1 | R16 I17 L18 K24 Q25 | R16-C20 WeakPolarHBondContact O-CB 3.29Å; R16-C20 PolarHBondContact O-N 3.23Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-C20 VanDerWaalsContact O-SG 3.32Å; I17-C20 WeakPolarHBondContact O-CB 3.07Å; I17-C20 PolarHBondContact O-N 3.5Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.03Å; C20-K24 CarbonylContact O-C 3.54Å; C20-K24 PolarHBondContact O-N 3.35Å; C20-Q25 HydrophobicContact CB-CB 4.25Å; C20-Q25 WeakPolarHBondContact O-CA 3.4Å; C20-Q25 PolarHBondContact O-N 3.26Å |
| 21 | Y | 89.4 | Confident | 91.9 | Very high | 59 Ų | 59 | 81.2 Ų | 81.2 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -48.2 | 174.5 | -179.7 | -103.4 | 0 | 0 | 0 | 111.9 | I17 L18 R19 H23 K24 Y26 M51 L54 | I17-Y21 PolarHBondContact O-N 2.85Å; L18-Y21 WeakPolarHBondContact O-CB 3.3Å; L18-Y21 PolarHBondContact O-N 3.27Å; L18-Y21 VanDerWaalsContact O-N 3.11Å; R19-Y21 VanDerWaalsContact C-N 3.26Å; R19-Y21 PolarHBondContact O-N 2.9Å; Y21-H23 VanDerWaalsContact C-N 3.26Å; Y21-H23 PolarHBondContact O-N 3.45Å; Y21-K24 PolarHBondContact O-N 2.95Å; Y21-Y26 HydrophobicContact CD2-CD1 4.34Å; Y21-Y26 AromaticContact CD2-CE1 3.96Å; Y21-Y26 HydrophobicContact CD2-CE1 3.96Å; Y21-Y26 HydrophobicContact CE2-CE1 4.15Å; Y21-M51 HydrophobicContact CD1-CE 4.44Å; Y21-M51 HydrophobicContact CG-CE 4.14Å; Y21-L54 HydrophobicContact CD1-CD2 4.44Å; Y21-L54 HydrophobicContact CD2-CD2 4.41Å; Y21-L54 HydrophobicContact CD2-CG 4.37Å; Y21-L54 HydrophobicContact CE1-CD2 3.87Å; Y21-L54 HydrophobicContact CE2-CD1 4.4Å; Y21-L54 HydrophobicContact CE2-CD2 3.85Å; Y21-L54 HydrophobicContact CE2-CG 3.66Å |
| 22 | E | 87.3 | Confident | 92.1 | Very high | 141 Ų | 141 | 79.9 Ų | 79.9 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.4 | -37.1 | 177.8 | -71.6 | 172.7 | 175.3 | 0 | 0 | 112.9 | L18 R19 K24 | L18-E22 WeakPolarHBondContact O-CG 3.38Å; L18-E22 PolarHBondContact O-N 3.33Å; R19-E22 PolarHBondContact O-N 3.04Å; E22-K24 VanDerWaalsContact C-N 3.34Å |
| 23 | H | 91.1 | Very high | 92.2 | Very high | 128 Ų | 128 | 77.3 Ų | 77.3 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 12.8 | 177.4 | -63.6 | -54.2 | 0 | 0 | 0 | 114.1 | R19 Y21 Q25 | R19-H23 WeakPolarHBondContact O-CB 3.36Å; R19-H23 PolarHBondContact O-CD2 3.18Å; R19-H23 PolarHBondContact O-N 3.5Å; Y21-H23 VanDerWaalsContact C-N 3.26Å; Y21-H23 PolarHBondContact O-N 3.45Å; H23-Q25 HydrophobicContact CB-CG 4.21Å; H23-Q25 PolarHBondContact O-N 3.27Å; H23-Q25 VanDerWaalsContact O-N 3.1Å |
| 24 | K | 91.3 | Very high | 92.3 | Very high | 148 Ų | 148 | 83.3 Ų | 83.3 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 22.9 | -179.3 | -54.4 | -174.2 | 175.6 | -172.8 | 0 | 114.9 | C20 Y21 E22 Y26 | C20-K24 CarbonylContact O-C 3.54Å; C20-K24 PolarHBondContact O-N 3.35Å; Y21-K24 PolarHBondContact O-N 2.95Å; E22-K24 VanDerWaalsContact C-N 3.34Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 HydrophobicContact CB-CE1 4.4Å; K24-Y26 HydrophobicContact CB-CE2 4.15Å; K24-Y26 PolarHBondContact O-N 3.19Å |
| 25 | Q | 92.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 87.5 Ų | 87.5 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | trans | -85 | 58.5 | 176.9 | -61.8 | -176.7 | -1.2 | 0 | 0 | 111.8 | C20 H23 R27 N28 G29 | C20-Q25 HydrophobicContact CB-CB 4.25Å; C20-Q25 WeakPolarHBondContact O-CA 3.4Å; C20-Q25 PolarHBondContact O-N 3.26Å; H23-Q25 HydrophobicContact CB-CG 4.21Å; H23-Q25 PolarHBondContact O-N 3.27Å; H23-Q25 VanDerWaalsContact O-N 3.1Å; Q25-R27 PolarHBondContact O-N 2.91Å; Q25-N28 HydrophobicContact CB-CB 4.46Å; Q25-N28 PolarHBondContact O-N 3.4Å; Q25-G29 PolarHBondContact O-N 2.91Å | ||
| 26 | Y | 92.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 81.7 Ų | 81.7 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -42.3 | -168.4 | -54.5 | -51.5 | 0 | 0 | 0 | 114 | Y21 K24 N28 G29 L30 T55 C58 L59 | Y21-Y26 HydrophobicContact CD2-CD1 4.34Å; Y21-Y26 AromaticContact CD2-CE1 3.96Å; Y21-Y26 HydrophobicContact CD2-CE1 3.96Å; Y21-Y26 HydrophobicContact CE2-CE1 4.15Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 HydrophobicContact CB-CE1 4.4Å; K24-Y26 HydrophobicContact CB-CE2 4.15Å; K24-Y26 PolarHBondContact O-N 3.19Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 3Å; Y26-G29 PolarHBondContact O-N 3Å; Y26-L30 WeakPolarHBondContact O-CG 3.3Å; Y26-L30 PolarHBondContact O-N 3.39Å; Y26-T55 HydrophobicContact CD1-CG2 4.05Å; Y26-T55 HydrophobicContact CG-CG2 4.28Å; Y26-T55 WeakPolarHBondContact O-CG2 3.32Å; Y26-C58 HydrophobicContact CD1-CB 4.12Å; Y26-C58 HydrophobicContact CD2-CB 4.25Å; Y26-C58 HydrophobicContact CE1-CB 3.72Å; Y26-C58 HydrophobicContact CE2-CB 3.85Å; Y26-C58 HydrophobicContact CG-CB 4.37Å; Y26-L59 HydrophobicContact CD2-CD2 4.09Å; Y26-L59 HydrophobicContact CG-CD2 4.41Å |
| 27 | R | 92.6 | Very high | 92.4 | Very high | 201 Ų | 201 | 76.4 Ų | 76.4 | 76% | 0.758 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.7 | -37.2 | 179.6 | -66.4 | -175.7 | -178.1 | 178.1 | 1.7 | 112.6 | Q25 K31 | Q25-R27 PolarHBondContact O-N 2.91Å; R27-K31 PolarHBondContact O-N 3.03Å |
| 28 | N | 92.4 | Very high | 92.3 | Very high | 71 Ų | 71 | 80.8 Ų | 80.8 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.1 | -41.1 | 176 | -71.7 | -19.8 | 0 | 0 | 0 | 111.1 | Q25 Y26 L30 K31 F32 | Q25-N28 HydrophobicContact CB-CB 4.46Å; Q25-N28 PolarHBondContact O-N 3.4Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 3Å; N28-L30 VanDerWaalsContact C-N 3.32Å; N28-L30 PolarHBondContact O-N 3.43Å; N28-K31 WeakPolarHBondContact O-CB 3.45Å; N28-K31 PolarHBondContact O-N 2.88Å; N28-K31 VanDerWaalsContact O-N 3.15Å; N28-F32 HydrophobicContact CB-CE2 4.45Å; N28-F32 VanDerWaalsContact O-CD2 3.3Å; N28-F32 WeakPolarHBondContact O-CD2 3.23Å; N28-F32 PolarHBondContact O-N 3.29Å; N28-F32 VanDerWaalsContact O-N 3.1Å |
| 29 | G | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53 | -48.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q25 Y26 K31 F32 C33 | Q25-G29 PolarHBondContact O-N 2.91Å; Y26-G29 PolarHBondContact O-N 3Å; G29-K31 VanDerWaalsContact C-N 3.34Å; G29-K31 PolarHBondContact O-N 3.42Å; G29-F32 PolarHBondContact O-N 3.42Å; G29-F32 VanDerWaalsContact O-N 3.17Å; G29-C33 PolarHBondContact O-N 3.41Å; G29-C33 PolarHBondContact O-SG 3.3Å |
| 30 | L | 94.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.8 | -68.7 | -178.8 | 0 | 0 | 0 | 113.7 | Y26 N28 C33 K34 K52 T55 L56 L59 | Y26-L30 WeakPolarHBondContact O-CG 3.3Å; Y26-L30 PolarHBondContact O-N 3.39Å; N28-L30 VanDerWaalsContact C-N 3.32Å; N28-L30 PolarHBondContact O-N 3.43Å; L30-C33 PolarHBondContact O-N 3.08Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 PolarHBondContact O-N 3.08Å; L30-K52 HydrophobicContact CD2-CG 3.97Å; L30-T55 HydrophobicContact CD2-CG2 3.73Å; L30-T55 HydrophobicContact CG-CG2 3.73Å; L30-L56 HydrophobicContact CD1-CD2 3.96Å; L30-L56 HydrophobicContact CD2-CD2 4.12Å; L30-L56 HydrophobicContact CD2-CG 3.98Å; L30-L59 HydrophobicContact CD1-CD1 3.56Å |
| 31 | K | 94.8 | Very high | 91.7 | Very high | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 175.2 | -71.8 | 176.3 | -177.6 | 176.1 | 0 | 110.8 | R27 N28 G29 K34 Q35 | R27-K31 PolarHBondContact O-N 3.03Å; N28-K31 WeakPolarHBondContact O-CB 3.45Å; N28-K31 PolarHBondContact O-N 2.88Å; N28-K31 VanDerWaalsContact O-N 3.15Å; G29-K31 VanDerWaalsContact C-N 3.34Å; G29-K31 PolarHBondContact O-N 3.42Å; K31-K34 PolarHBondContact O-N 3.46Å; K31-Q35 WeakPolarHBondContact O-CG 3.26Å; K31-Q35 PolarHBondContact O-N 3.45Å; K31-Q35 VanDerWaalsContact O-N 3.09Å |
| 32 | F | 94.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 83.3 Ų | 83.3 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.4 | -63.3 | -44.9 | 0 | 0 | 0 | 112.3 | L13 R16 I17 N28 G29 K34 Q35 I36 | L13-F32 HydrophobicContact CD2-CD1 4.08Å; R16-F32 HydrophobicContact CB-CD2 4.28Å; R16-F32 HydrophobicContact CB-CE2 4.41Å; I17-F32 HydrophobicContact CD1-CB 4.19Å; I17-F32 HydrophobicContact CG1-CB 3.55Å; N28-F32 HydrophobicContact CB-CE2 4.45Å; N28-F32 VanDerWaalsContact O-CD2 3.3Å; N28-F32 WeakPolarHBondContact O-CD2 3.23Å; N28-F32 PolarHBondContact O-N 3.29Å; N28-F32 VanDerWaalsContact O-N 3.1Å; G29-F32 PolarHBondContact O-N 3.42Å; G29-F32 VanDerWaalsContact O-N 3.17Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.18Å; F32-Q35 PolarHBondContact O-N 3.36Å; F32-I36 PolarHBondContact O-N 3.43Å |
| 33 | C | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.3 | -46.2 | 170.8 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | I17 G29 L30 Q35 I36 L37 T48 K52 | I17-C33 HydrophobicContact CD1-CB 4.28Å; I17-C33 VanDerWaalsContact CG2-SG 3.6Å; G29-C33 PolarHBondContact O-N 3.41Å; G29-C33 PolarHBondContact O-SG 3.3Å; L30-C33 PolarHBondContact O-N 3.08Å; C33-Q35 VanDerWaalsContact C-N 3.31Å; C33-Q35 PolarHBondContact O-N 3.15Å; C33-I36 PolarHBondContact O-N 3.49Å; C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.23Å; C33-L37 WeakPolarHBondContact O-CG 3.17Å; C33-L37 PolarHBondContact O-N 3.02Å; C33-T48 HydrophobicContact CB-CG2 4.27Å; C33-K52 HydrophobicContact CB-CB 3.99Å; C33-K52 HydrophobicContact CB-CD 4.49Å; C33-K52 HydrophobicContact CB-CG 4.22Å |
| 34 | K | 94.4 | Very high | 91.8 | Very high | 154 Ų | 154 | 76 Ų | 76 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 178.9 | -172.3 | 176.5 | 179.6 | 178.8 | 0 | 112.2 | L30 K31 F32 L37 S38 | L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 PolarHBondContact O-N 3.08Å; K31-K34 PolarHBondContact O-N 3.46Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.18Å; K34-L37 PolarHBondContact O-N 2.9Å; K34-S38 WeakPolarHBondContact O-CB 3.47Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.14Å |
| 35 | Q | 93.8 | Very high | 91.8 | Very high | 99 Ų | 99 | 69.5 Ų | 69.5 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.8 | -72.4 | 176.8 | 3.1 | 0 | 0 | 112.2 | L13 K31 F32 C33 S38 | L13-Q35 HydrophobicContact CD1-CB 4.31Å; K31-Q35 WeakPolarHBondContact O-CG 3.26Å; K31-Q35 PolarHBondContact O-N 3.45Å; K31-Q35 VanDerWaalsContact O-N 3.09Å; F32-Q35 PolarHBondContact O-N 3.36Å; C33-Q35 VanDerWaalsContact C-N 3.31Å; C33-Q35 PolarHBondContact O-N 3.15Å; Q35-S38 PolarHBondContact O-OG 3.3Å |
| 36 | I | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.9 | -49.2 | 176.6 | -61.3 | 176.4 | 0 | 0 | 0 | 110.2 | L6 L13 F14 I17 F32 C33 S38 N39 F42 T48 | L6-I36 HydrophobicContact CD1-CD1 4.48Å; L6-I36 HydrophobicContact CD2-CG2 4.14Å; L13-I36 HydrophobicContact CB-CD1 3.87Å; L13-I36 HydrophobicContact CB-CG1 3.95Å; L13-I36 HydrophobicContact CD1-CG1 4.2Å; F14-I36 HydrophobicContact CB-CD1 4.04Å; I17-I36 HydrophobicContact CD1-CD1 3.66Å; F32-I36 PolarHBondContact O-N 3.43Å; C33-I36 PolarHBondContact O-N 3.49Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.76Å; I36-N39 PolarHBondContact O-N 3.36Å; I36-F42 HydrophobicContact CG2-CB 4.12Å; I36-T48 HydrophobicContact CB-CG2 4.01Å; I36-T48 HydrophobicContact CD1-CG2 4.2Å; I36-T48 HydrophobicContact CG2-CG2 4.04Å |
| 37 | L | 93 | Very high | 91.8 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -18.2 | -175.2 | -60.4 | 171.6 | 0 | 0 | 0 | 113.5 | C33 K34 N39 A43 T48 L49 K52 | C33-L37 WeakPolarHBondContact O-CB 3.38Å; C33-L37 VanDerWaalsContact O-CG 3.23Å; C33-L37 WeakPolarHBondContact O-CG 3.17Å; C33-L37 PolarHBondContact O-N 3.02Å; K34-L37 PolarHBondContact O-N 2.9Å; L37-N39 PolarHBondContact O-N 3Å; L37-A43 WeakPolarHBondContact CD2-O 3.35Å; L37-A43 WeakPolarHBondContact O-CA 3.36Å; L37-T48 HydrophobicContact CD1-CG2 4.17Å; L37-T48 HydrophobicContact CD2-CG2 3.85Å; L37-T48 HydrophobicContact CG-CG2 3.77Å; L37-L49 HydrophobicContact CD1-CD2 4.01Å; L37-L49 HydrophobicContact CD2-CD2 3.9Å; L37-L49 HydrophobicContact CD2-CG 4.06Å; L37-K52 HydrophobicContact CD1-CD 3.72Å |
| 38 | S | 92.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.1 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | K34 Q35 I36 | K34-S38 WeakPolarHBondContact O-CB 3.47Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.14Å; Q35-S38 PolarHBondContact O-OG 3.3Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.76Å |
| 39 | N | 89.6 | Confident | 92.1 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -80 | 120.7 | 173.2 | -174.3 | -16.3 | 0 | 0 | 0 | 108.7 | I36 L37 K41 F42 A43 | I36-N39 PolarHBondContact O-N 3.36Å; L37-N39 PolarHBondContact O-N 3Å; N39-K41 PolarHBondContact O-N 3.05Å; N39-K41 PolarHBondContact OD1-N 2.98Å; N39-F42 HydrophobicContact CB-CD2 4.09Å; N39-F42 CarbonylContact O-C 3.59Å; N39-F42 PolarHBondContact O-N 2.63Å; N39-A43 PolarHBondContact O-N 3.46Å |
| 40 | S | 85.7 | Confident | 92.1 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 77% | 0.769 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.5 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | F42 | S40-F42 VanDerWaalsContact C-N 3.3Å; S40-F42 PolarHBondContact O-N 2.89Å |
| 41 | K | 84.3 | Confident | 92.1 | Very high | 167 Ų | 167 | 50.6 Ų | 50.6 | 73% | 0.726 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.8 | 175.6 | -66.3 | -175.3 | 177.2 | -177.4 | 0 | 114.1 | N39 | N39-K41 PolarHBondContact O-N 3.05Å; N39-K41 PolarHBondContact OD1-N 2.98Å |
| 42 | F | 88.9 | Confident | 92.2 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 12.6 | -174.6 | -49.3 | -60.1 | 0 | 0 | 0 | 112.7 | V4 L6 P7 E10 I36 N39 S40 E44 H45 | V4-F42 HydrophobicContact CG1-CD1 3.93Å; V4-F42 HydrophobicContact CG1-CE1 4.03Å; L6-F42 HydrophobicContact CD2-CB 4.36Å; L6-F42 HydrophobicContact CD2-CD1 3.85Å; L6-F42 HydrophobicContact CD2-CD2 4.49Å; L6-F42 HydrophobicContact CD2-CE1 4.29Å; L6-F42 HydrophobicContact CD2-CG 3.97Å; P7-F42 HydrophobicContact CG-CE1 4.37Å; P7-F42 HydrophobicContact CG-CE2 4.2Å; P7-F42 HydrophobicContact CG-CZ 3.55Å; E10-F42 HydrophobicContact CG-CD2 4.02Å; E10-F42 HydrophobicContact CG-CE2 3.93Å; I36-F42 HydrophobicContact CG2-CB 4.12Å; N39-F42 HydrophobicContact CB-CD2 4.09Å; N39-F42 CarbonylContact O-C 3.59Å; N39-F42 PolarHBondContact O-N 2.63Å; S40-F42 VanDerWaalsContact C-N 3.3Å; S40-F42 PolarHBondContact O-N 2.89Å; F42-E44 PolarHBondContact O-N 3.39Å; F42-H45 HydrophobicContact CB-CB 4.08Å; F42-H45 WeakPolarHBondContact O-CB 3.38Å; F42-H45 PolarHBondContact O-N 3.49Å |
| 43 | A | 88.9 | Confident | 92.2 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 28% | 0.281 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L37 N39 | L37-A43 WeakPolarHBondContact CD2-O 3.35Å; L37-A43 WeakPolarHBondContact O-CA 3.36Å; N39-A43 PolarHBondContact O-N 3.46Å |
| 44 | E | 90.6 | Very high | 92.1 | Very high | 83 Ų | 83 | 46 Ų | 46 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 15.6 | 176.5 | -67.2 | -50.1 | 121.4 | 0 | 0 | 113.9 | F42 G46 R71 N75 | F42-E44 PolarHBondContact O-N 3.39Å; E44-G46 PolarHBondContact O-N 3.49Å; E44-G46 VanDerWaalsContact O-N 3.08Å; E44-R71 IonicContact OE1-CZ 3.46Å; E44-R71 IonicContact OE1-NE 2.71Å; E44-R71 IonicContact OE1-NH2 3.72Å; E44-R71 PolarHBondContact OE1-NH2 3.08Å; E44-R71 IonicContact OE2-CZ 3.77Å; E44-R71 IonicContact OE2-NE 3.07Å; E44-R71 PolarHBondContact OE2-NE 3.01Å; E44-R71 IonicContact OE2-NH2 3.32Å; E44-R71 PolarHBondContact OE2-NH2 3.27Å; E44-R71 VanDerWaalsContact OE2-NH2 3.13Å; E44-N75 WeakPolarHBondContact O-CB 3.25Å; E44-N75 PolarHBondContact O-ND2 2.67Å; E44-N75 PolarHBondContact OE2-ND2 3.31Å |
| 45 | H | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | trans | -62.5 | 114.9 | -177.9 | -179.6 | -108.3 | 0 | 0 | 0 | 111.3 | V4 F42 E47 T48 L49 | V4-H45 PolarHBondContact O-CD2 2.6Å; V4-H45 VanDerWaalsContact O-CD2 3.23Å; V4-H45 PolarHBondContact O-NE2 3.13Å; F42-H45 HydrophobicContact CB-CB 4.08Å; F42-H45 WeakPolarHBondContact O-CB 3.38Å; F42-H45 PolarHBondContact O-N 3.49Å; H45-E47 PolarHBondContact O-N 3.08Å; H45-T48 PolarHBondContact ND1-N 3.36Å; H45-T48 PolarHBondContact ND1-OG1 3.15Å; H45-T48 PolarHBondContact O-N 3.49Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.4Å | ||
| 46 | G | 92.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -51.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E44 T48 L49 A50 G72 C82 | E44-G46 PolarHBondContact O-N 3.49Å; E44-G46 VanDerWaalsContact O-N 3.08Å; G46-T48 VanDerWaalsContact C-N 3.32Å; G46-T48 PolarHBondContact O-N 3.48Å; G46-L49 PolarHBondContact O-N 3.5Å; G46-A50 PolarHBondContact O-N 2.95Å; G46-G72 WeakPolarHBondContact CA-O 3.45Å; G46-G72 WeakPolarHBondContact O-CA 3.48Å; G46-C82 VanDerWaalsContact C-SG 3.53Å |
| 47 | E | 93.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | -175.9 | -51.9 | -172.2 | 152.3 | 0 | 0 | 112.2 | F14 H45 A50 M51 S79 V81 | F14-E47 HydrophobicContact CE2-CB 3.89Å; F14-E47 HydrophobicContact CZ-CB 3.63Å; H45-E47 PolarHBondContact O-N 3.08Å; E47-A50 PolarHBondContact O-N 2.94Å; E47-M51 WeakPolarHBondContact O-CB 3.5Å; E47-M51 WeakPolarHBondContact O-CG 3.42Å; E47-M51 PolarHBondContact O-N 2.77Å; E47-S79 WeakPolarHBondContact CG-OG 3.25Å; E47-S79 WeakPolarHBondContact OE1-CB 3.42Å; E47-S79 PolarHBondContact OE1-OG 3.21Å; E47-V81 HydrophobicContact CB-CB 4.46Å; E47-V81 HydrophobicContact CB-CG1 4.31Å; E47-V81 HydrophobicContact CG-CB 4.19Å |
| 48 | T | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.2 | -37.8 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | I17 C33 I36 L37 H45 G46 A50 K52 | I17-T48 HydrophobicContact CD1-CG2 4.25Å; C33-T48 HydrophobicContact CB-CG2 4.27Å; I36-T48 HydrophobicContact CB-CG2 4.01Å; I36-T48 HydrophobicContact CD1-CG2 4.2Å; I36-T48 HydrophobicContact CG2-CG2 4.04Å; L37-T48 HydrophobicContact CD1-CG2 4.17Å; L37-T48 HydrophobicContact CD2-CG2 3.85Å; L37-T48 HydrophobicContact CG-CG2 3.77Å; H45-T48 PolarHBondContact ND1-N 3.36Å; H45-T48 PolarHBondContact ND1-OG1 3.15Å; H45-T48 PolarHBondContact O-N 3.49Å; G46-T48 VanDerWaalsContact C-N 3.32Å; G46-T48 PolarHBondContact O-N 3.48Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-K52 WeakPolarHBondContact O-CB 3.26Å; T48-K52 PolarHBondContact O-N 2.71Å |
| 49 | L | 95.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 171.6 | -72.1 | 173.8 | 0 | 0 | 0 | 111.1 | L37 H45 G46 K52 G53 L68 R71 | L37-L49 HydrophobicContact CD1-CD2 4.01Å; L37-L49 HydrophobicContact CD2-CD2 3.9Å; L37-L49 HydrophobicContact CD2-CG 4.06Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.4Å; G46-L49 PolarHBondContact O-N 3.5Å; L49-K52 PolarHBondContact O-N 3.08Å; L49-G53 PolarHBondContact O-N 3.34Å; L49-L68 HydrophobicContact CD2-CD2 4.14Å; L49-R71 HydrophobicContact CD1-CG 4.27Å |
| 50 | A | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -50.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G46 E47 T48 K52 G53 L54 V85 | G46-A50 PolarHBondContact O-N 2.95Å; E47-A50 PolarHBondContact O-N 2.94Å; T48-A50 VanDerWaalsContact C-N 3.35Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 3.3Å; A50-G53 PolarHBondContact O-N 3.49Å; A50-G53 VanDerWaalsContact O-N 3.08Å; A50-L54 PolarHBondContact O-N 3.08Å; A50-V85 HydrophobicContact CB-CB 4.13Å; A50-V85 HydrophobicContact CB-CG1 3.88Å; A50-V85 HydrophobicContact CB-CG2 4.49Å; A50-V85 WeakPolarHBondContact O-CG1 3.42Å |
| 51 | M | 94.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -36.2 | 178.1 | -74.3 | -55.2 | -53.6 | 0 | 0 | 113.2 | F14 I17 L18 Y21 E47 L54 T55 V85 | F14-M51 HydrophobicContact CE2-CB 4.42Å; F14-M51 HydrophobicContact CE2-CG 3.83Å; F14-M51 HydrophobicContact CZ-CG 3.97Å; I17-M51 HydrophobicContact CG2-CB 3.9Å; I17-M51 HydrophobicContact CG2-CE 4.32Å; I17-M51 HydrophobicContact CG2-CG 4.47Å; L18-M51 HydrophobicContact CD2-CE 3.74Å; L18-M51 HydrophobicContact CD2-CG 4.27Å; L18-M51 HydrophobicContact CD2-SD 3.68Å; Y21-M51 HydrophobicContact CD1-CE 4.44Å; Y21-M51 HydrophobicContact CG-CE 4.14Å; E47-M51 WeakPolarHBondContact O-CB 3.5Å; E47-M51 WeakPolarHBondContact O-CG 3.42Å; E47-M51 PolarHBondContact O-N 2.77Å; M51-L54 HydrophobicContact CE-CD2 4.46Å; M51-L54 HydrophobicContact SD-CD2 4.49Å; M51-T55 WeakPolarHBondContact O-CB 3.48Å; M51-T55 PolarHBondContact O-N 3.09Å; M51-T55 PolarHBondContact O-OG1 2.89Å; M51-V85 HydrophobicContact SD-CG2 3.62Å |
| 52 | K | 95.3 | Very high | 91.6 | Very high | 65 Ų | 65 | 28.5 Ų | 28.5 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 172.2 | -176.8 | -176.2 | 172.1 | -169 | 0 | 110.9 | L30 C33 L37 T48 L49 A50 T55 L56 L68 | L30-K52 HydrophobicContact CD2-CG 3.97Å; C33-K52 HydrophobicContact CB-CB 3.99Å; C33-K52 HydrophobicContact CB-CD 4.49Å; C33-K52 HydrophobicContact CB-CG 4.22Å; L37-K52 HydrophobicContact CD1-CD 3.72Å; T48-K52 WeakPolarHBondContact O-CB 3.26Å; T48-K52 PolarHBondContact O-N 2.71Å; L49-K52 PolarHBondContact O-N 3.08Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 3.3Å; K52-T55 PolarHBondContact O-N 3.03Å; K52-L56 HydrophobicContact CG-CD1 4.17Å; K52-L56 WeakPolarHBondContact O-CG 3.5Å; K52-L56 PolarHBondContact O-N 3.48Å; K52-L68 HydrophobicContact CD-CD1 4.1Å; K52-L68 HydrophobicContact CG-CD1 4.23Å |
| 53 | G | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L49 A50 T55 L56 N57 A65 | L49-G53 PolarHBondContact O-N 3.34Å; A50-G53 PolarHBondContact O-N 3.49Å; A50-G53 VanDerWaalsContact O-N 3.08Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 2.97Å; G53-L56 WeakPolarHBondContact O-CB 3.47Å; G53-L56 PolarHBondContact O-N 3.31Å; G53-L56 VanDerWaalsContact O-N 3.08Å; G53-N57 PolarHBondContact O-N 3.08Å; G53-A65 WeakPolarHBondContact O-CB 3.44Å |
| 54 | L | 92.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 175.9 | -175.7 | 58.2 | 0 | 0 | 0 | 112.8 | Y21 A50 M51 L56 N57 C58 V85 L88 | Y21-L54 HydrophobicContact CD1-CD2 4.44Å; Y21-L54 HydrophobicContact CD2-CD2 4.41Å; Y21-L54 HydrophobicContact CD2-CG 4.37Å; Y21-L54 HydrophobicContact CE1-CD2 3.87Å; Y21-L54 HydrophobicContact CE2-CD1 4.4Å; Y21-L54 HydrophobicContact CE2-CD2 3.85Å; Y21-L54 HydrophobicContact CE2-CG 3.66Å; A50-L54 PolarHBondContact O-N 3.08Å; M51-L54 HydrophobicContact CE-CD2 4.46Å; M51-L54 HydrophobicContact SD-CD2 4.49Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 2.82Å; L54-N57 WeakPolarHBondContact O-CB 3.48Å; L54-N57 PolarHBondContact O-N 3.2Å; L54-C58 PolarHBondContact O-N 2.82Å; L54-V85 HydrophobicContact CB-CG1 3.73Å; L54-V85 HydrophobicContact CD2-CG1 4.09Å; L54-V85 HydrophobicContact CD2-CG2 4.08Å; L54-V85 HydrophobicContact CG-CG1 4.38Å; L54-L88 HydrophobicContact CD1-CB 4.12Å; L54-L88 HydrophobicContact CD2-CD1 3.93Å |
| 55 | T | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | Y26 L30 M51 K52 G53 L59 | Y26-T55 HydrophobicContact CD1-CG2 4.05Å; Y26-T55 HydrophobicContact CG-CG2 4.28Å; Y26-T55 WeakPolarHBondContact O-CG2 3.32Å; L30-T55 HydrophobicContact CD2-CG2 3.73Å; L30-T55 HydrophobicContact CG-CG2 3.73Å; M51-T55 WeakPolarHBondContact O-CB 3.48Å; M51-T55 PolarHBondContact O-N 3.09Å; M51-T55 PolarHBondContact O-OG1 2.89Å; K52-T55 PolarHBondContact O-N 3.03Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 2.97Å; T55-L59 PolarHBondContact O-N 3.44Å |
| 56 | L | 92.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -34.6 | 175.5 | -74.1 | 167.5 | 0 | 0 | 0 | 112.4 | L30 K52 G53 L54 C58 L59 G60 K61 E64 A65 L68 | L30-L56 HydrophobicContact CD1-CD2 3.96Å; L30-L56 HydrophobicContact CD2-CD2 4.12Å; L30-L56 HydrophobicContact CD2-CG 3.98Å; K52-L56 HydrophobicContact CG-CD1 4.17Å; K52-L56 WeakPolarHBondContact O-CG 3.5Å; K52-L56 PolarHBondContact O-N 3.48Å; G53-L56 WeakPolarHBondContact O-CB 3.47Å; G53-L56 PolarHBondContact O-N 3.31Å; G53-L56 VanDerWaalsContact O-N 3.08Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 2.82Å; L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.35Å; L56-L59 CarbonylContact O-C 3.28Å; L56-L59 WeakPolarHBondContact O-CA 3.45Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-G60 PolarHBondContact O-N 3.12Å; L56-K61 HydrophobicContact CB-CB 4.24Å; L56-K61 HydrophobicContact CD2-CD 3.77Å; L56-K61 PolarHBondContact O-N 3.33Å; L56-E64 HydrophobicContact CD1-CB 4.48Å; L56-A65 HydrophobicContact CB-CB 4.39Å; L56-L68 HydrophobicContact CD1-CD1 3.47Å; L56-L68 VanDerWaalsContact CD1-CD1 3.47Å |
| 57 | N | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.8 | -174.8 | 60.5 | 0 | 0 | 0 | 111.6 | G53 L54 L59 G60 A65 L89 S92 | G53-N57 PolarHBondContact O-N 3.08Å; L54-N57 WeakPolarHBondContact O-CB 3.48Å; L54-N57 PolarHBondContact O-N 3.2Å; N57-L59 PolarHBondContact O-N 3.15Å; N57-G60 PolarHBondContact O-N 3.33Å; N57-A65 HydrophobicContact CB-CB 3.75Å; N57-L89 HydrophobicContact CB-CD1 3.61Å; N57-L89 WeakPolarHBondContact ND2-CD1 3.32Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.42Å; N57-S92 PolarHBondContact ND2-OG 3.02Å |
| 58 | C | 87.6 | Confident | 92.1 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.7 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | Y26 L54 L56 | Y26-C58 HydrophobicContact CD1-CB 4.12Å; Y26-C58 HydrophobicContact CD2-CB 4.25Å; Y26-C58 HydrophobicContact CE1-CB 3.72Å; Y26-C58 HydrophobicContact CE2-CB 3.85Å; Y26-C58 HydrophobicContact CG-CB 4.37Å; L54-C58 PolarHBondContact O-N 2.82Å; L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.35Å |
| 59 | L | 88.6 | Confident | 92.1 | Very high | 73 Ų | 73 | 38.4 Ų | 38.4 | 38% | 0.382 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14 | 173.6 | -65.7 | 172.4 | 0 | 0 | 0 | 112.5 | Y26 L30 T55 L56 N57 K61 | Y26-L59 HydrophobicContact CD2-CD2 4.09Å; Y26-L59 HydrophobicContact CG-CD2 4.41Å; L30-L59 HydrophobicContact CD1-CD1 3.56Å; T55-L59 PolarHBondContact O-N 3.44Å; L56-L59 CarbonylContact O-C 3.28Å; L56-L59 WeakPolarHBondContact O-CA 3.45Å; L56-L59 PolarHBondContact O-N 3.31Å; N57-L59 PolarHBondContact O-N 3.15Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.8Å |
| 60 | G | 85.2 | Confident | 92.1 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 62% | 0.619 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -1.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L56 N57 K62 | L56-G60 PolarHBondContact O-N 3.12Å; N57-G60 PolarHBondContact O-N 3.33Å; G60-K62 PolarHBondContact O-N 3.44Å; G60-K62 VanDerWaalsContact O-N 3.12Å |
| 61 | K | 90 | Very high | 92 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | trans | -89.6 | 67.9 | -177.4 | -67.1 | -179.3 | 158.4 | -133.7 | 0 | 112.4 | L56 L59 E64 A65 | L56-K61 HydrophobicContact CB-CB 4.24Å; L56-K61 HydrophobicContact CD2-CD 3.77Å; L56-K61 PolarHBondContact O-N 3.33Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.8Å; K61-E64 HydrophobicContact CB-CB 4.42Å; K61-E64 IonicContact NZ-OE1 2.72Å; K61-E64 PolarHBondContact NZ-OE1 2.98Å; K61-E64 IonicContact NZ-OE2 3.64Å; K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 3.03Å | ||
| 62 | K | 86.9 | Confident | 92 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | -172.1 | -61.6 | -156.8 | 172.1 | -164.8 | 0 | 114.4 | G60 E64 A65 Y66 D93 | G60-K62 PolarHBondContact O-N 3.44Å; G60-K62 VanDerWaalsContact O-N 3.12Å; K62-E64 PolarHBondContact O-N 3.06Å; K62-A65 WeakPolarHBondContact O-CB 3.44Å; K62-A65 PolarHBondContact O-N 2.91Å; K62-A65 VanDerWaalsContact O-N 3.1Å; K62-Y66 WeakPolarHBondContact O-CD2 3.44Å; K62-Y66 PolarHBondContact O-N 3.5Å; K62-D93 IonicContact NZ-OD1 3.99Å; K62-D93 PolarHBondContact NZ-OD1 2.71Å |
| 63 | E | 88.8 | Confident | 91.8 | Very high | 160 Ų | 160 | 46.6 Ų | 46.6 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.1 | -47.2 | -178.1 | -65.8 | -56 | 137.5 | 0 | 0 | 112.1 | A65 Y66 D67 | E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.08Å; E63-Y66 PolarHBondContact O-N 2.92Å; E63-D67 PolarHBondContact O-N 3.25Å |
| 64 | E | 92.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 174.4 | -65.7 | -178.4 | -140.2 | 0 | 0 | 111.4 | L56 K61 K62 L68 | L56-E64 HydrophobicContact CD1-CB 4.48Å; K61-E64 HydrophobicContact CB-CB 4.42Å; K61-E64 IonicContact NZ-OE1 2.72Å; K61-E64 PolarHBondContact NZ-OE1 2.98Å; K61-E64 IonicContact NZ-OE2 3.64Å; K62-E64 PolarHBondContact O-N 3.06Å; E64-L68 WeakPolarHBondContact O-CB 3.36Å; E64-L68 VanDerWaalsContact O-CG 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.36Å; E64-L68 PolarHBondContact O-N 3.28Å; E64-L68 VanDerWaalsContact O-N 3.15Å |
| 65 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G53 L56 N57 K61 K62 E63 D67 L68 V69 L89 | G53-A65 WeakPolarHBondContact O-CB 3.44Å; L56-A65 HydrophobicContact CB-CB 4.39Å; N57-A65 HydrophobicContact CB-CB 3.75Å; K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 3.03Å; K62-A65 WeakPolarHBondContact O-CB 3.44Å; K62-A65 PolarHBondContact O-N 2.91Å; K62-A65 VanDerWaalsContact O-N 3.1Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.08Å; A65-D67 PolarHBondContact O-N 3.08Å; A65-L68 PolarHBondContact O-N 3.31Å; A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.45Å; A65-V69 PolarHBondContact O-N 3.28Å; A65-L89 HydrophobicContact CB-CD1 4.36Å |
| 66 | Y | 92.9 | Very high | 91.7 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 179.9 | -92.4 | -80.3 | 0 | 0 | 0 | 112.9 | K62 E63 R70 Y86 L89 Q90 D93 | K62-Y66 WeakPolarHBondContact O-CD2 3.44Å; K62-Y66 PolarHBondContact O-N 3.5Å; E63-Y66 PolarHBondContact O-N 2.92Å; Y66-R70 VanDerWaalsContact O-CB 3.28Å; Y66-R70 WeakPolarHBondContact O-CB 3.3Å; Y66-R70 VanDerWaalsContact O-CG 3.25Å; Y66-R70 WeakPolarHBondContact O-CG 3.32Å; Y66-R70 PolarHBondContact O-N 2.95Å; Y66-Y86 HydrophobicContact CD1-CE2 4.32Å; Y66-Y86 HydrophobicContact CE1-CE2 4.18Å; Y66-L89 HydrophobicContact CD1-CD2 3.68Å; Y66-L89 HydrophobicContact CD1-CG 4.47Å; Y66-L89 HydrophobicContact CD2-CD2 3.97Å; Y66-L89 HydrophobicContact CD2-CG 4.38Å; Y66-L89 HydrophobicContact CE1-CD2 3.73Å; Y66-L89 HydrophobicContact CE1-CG 4.05Å; Y66-L89 HydrophobicContact CE2-CD1 4.18Å; Y66-L89 HydrophobicContact CE2-CD2 4.01Å; Y66-L89 HydrophobicContact CE2-CG 3.95Å; Y66-L89 HydrophobicContact CG-CD2 3.81Å; Y66-Q90 PolarHBondContact OH-OE1 3.37Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.49Å; Y66-D93 PolarHBondContact OH-OD2 2.7Å |
| 67 | D | 94.5 | Very high | 91.6 | Very high | 98 Ų | 98 | 62.4 Ų | 62.4 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 176.6 | -176.8 | 65.2 | 0 | 0 | 0 | 111.2 | E63 A65 V69 R70 R71 | E63-D67 PolarHBondContact O-N 3.25Å; A65-D67 PolarHBondContact O-N 3.08Å; D67-V69 PolarHBondContact O-N 3.4Å; D67-R70 PolarHBondContact O-N 3.28Å; D67-R71 VanDerWaalsContact O-CB 3.24Å; D67-R71 WeakPolarHBondContact O-CB 3.41Å; D67-R71 PolarHBondContact O-N 2.92Å |
| 68 | L | 95.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | -178.9 | -71.1 | 172.2 | 0 | 0 | 0 | 113 | L49 K52 L56 E64 A65 G72 | L49-L68 HydrophobicContact CD2-CD2 4.14Å; K52-L68 HydrophobicContact CD-CD1 4.1Å; K52-L68 HydrophobicContact CG-CD1 4.23Å; L56-L68 HydrophobicContact CD1-CD1 3.47Å; L56-L68 VanDerWaalsContact CD1-CD1 3.47Å; E64-L68 WeakPolarHBondContact O-CB 3.36Å; E64-L68 VanDerWaalsContact O-CG 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.36Å; E64-L68 PolarHBondContact O-N 3.28Å; E64-L68 VanDerWaalsContact O-N 3.15Å; A65-L68 PolarHBondContact O-N 3.31Å; L68-G72 PolarHBondContact O-N 3.46Å |
| 69 | V | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | A65 D67 R71 G72 L73 V85 Y86 L89 | A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.45Å; A65-V69 PolarHBondContact O-N 3.28Å; D67-V69 PolarHBondContact O-N 3.4Å; V69-R71 VanDerWaalsContact C-N 3.35Å; V69-R71 PolarHBondContact O-N 3.39Å; V69-G72 PolarHBondContact O-N 2.88Å; V69-L73 WeakPolarHBondContact O-CB 3.45Å; V69-L73 PolarHBondContact O-N 3.44Å; V69-V85 HydrophobicContact CG1-CG1 4.24Å; V69-V85 HydrophobicContact CG2-CG1 4Å; V69-Y86 HydrophobicContact CG1-CD2 3.62Å; V69-Y86 HydrophobicContact CG1-CG 4.04Å; V69-L89 HydrophobicContact CB-CD2 4.05Å; V69-L89 HydrophobicContact CG1-CD2 4.32Å; V69-L89 HydrophobicContact CG2-CD2 4.01Å |
| 70 | R | 94.4 | Very high | 92 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.8 | -75.1 | 176.1 | 175.7 | 168.2 | 2.5 | 111.9 | Y66 D67 R74 Y86 | Y66-R70 VanDerWaalsContact O-CB 3.28Å; Y66-R70 WeakPolarHBondContact O-CB 3.3Å; Y66-R70 VanDerWaalsContact O-CG 3.25Å; Y66-R70 WeakPolarHBondContact O-CG 3.32Å; Y66-R70 PolarHBondContact O-N 2.95Å; D67-R70 PolarHBondContact O-N 3.28Å; R70-R74 WeakPolarHBondContact O-CB 3.4Å; R70-R74 PolarHBondContact O-N 3.47Å; R70-Y86 HydrophobicContact CG-CE2 4.3Å |
| 71 | R | 93.9 | Very high | 92.3 | Very high | 97 Ų | 97 | 64 Ų | 64 | 37% | 0.366 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 175 | -177.6 | 179.1 | 171.2 | 174.1 | 2.2 | 111.8 | E44 L49 D67 V69 L73 R74 N75 | E44-R71 IonicContact OE1-CZ 3.46Å; E44-R71 IonicContact OE1-NE 2.71Å; E44-R71 IonicContact OE1-NH2 3.72Å; E44-R71 PolarHBondContact OE1-NH2 3.08Å; E44-R71 IonicContact OE2-CZ 3.77Å; E44-R71 IonicContact OE2-NE 3.07Å; E44-R71 PolarHBondContact OE2-NE 3.01Å; E44-R71 IonicContact OE2-NH2 3.32Å; E44-R71 PolarHBondContact OE2-NH2 3.27Å; E44-R71 VanDerWaalsContact OE2-NH2 3.13Å; L49-R71 HydrophobicContact CD1-CG 4.27Å; D67-R71 VanDerWaalsContact O-CB 3.24Å; D67-R71 WeakPolarHBondContact O-CB 3.41Å; D67-R71 PolarHBondContact O-N 2.92Å; V69-R71 VanDerWaalsContact C-N 3.35Å; V69-R71 PolarHBondContact O-N 3.39Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 3.21Å; R71-R74 WeakPolarHBondContact O-CB 3.18Å; R71-R74 PolarHBondContact O-N 3.39Å; R71-N75 PolarHBondContact O-N 3.08Å |
| 72 | G | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | G46 L68 V69 N75 D76 | G46-G72 WeakPolarHBondContact CA-O 3.45Å; G46-G72 WeakPolarHBondContact O-CA 3.48Å; L68-G72 PolarHBondContact O-N 3.46Å; V69-G72 PolarHBondContact O-N 2.88Å; G72-N75 PolarHBondContact O-N 2.87Å; G72-D76 PolarHBondContact O-N 3.2Å; G72-D76 VanDerWaalsContact O-N 3.14Å |
| 73 | L | 93.2 | Very high | 93 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 175.1 | -178.4 | 62 | 0 | 0 | 0 | 112.8 | V69 R71 N75 D76 L77 C82 W83 Y86 | V69-L73 WeakPolarHBondContact O-CB 3.45Å; V69-L73 PolarHBondContact O-N 3.44Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 3.21Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-N 3.41Å; L73-D76 CarbonylContact O-C 3.59Å; L73-D76 PolarHBondContact O-N 3.02Å; L73-L77 HydrophobicContact CG-CD2 4.25Å; L73-L77 WeakPolarHBondContact O-CD2 3.26Å; L73-L77 PolarHBondContact O-N 2.67Å; L73-C82 HydrophobicContact CB-CB 4.33Å; L73-C82 HydrophobicContact CD1-CB 3.67Å; L73-W83 HydrophobicContact CD1-CD2 3.69Å; L73-W83 HydrophobicContact CD1-CE3 4.23Å; L73-W83 HydrophobicContact CD1-CG 3.92Å; L73-W83 HydrophobicContact CD1-CZ2 4.07Å; L73-W83 HydrophobicContact CD2-CD2 4.22Å; L73-W83 HydrophobicContact CD2-CE3 3.9Å; L73-W83 HydrophobicContact CD2-CH2 3.88Å; L73-W83 HydrophobicContact CD2-CZ2 4.19Å; L73-W83 HydrophobicContact CD2-CZ3 3.73Å; L73-W83 HydrophobicContact CG-CZ2 4.49Å; L73-Y86 HydrophobicContact CD2-CD1 3.85Å; L73-Y86 HydrophobicContact CD2-CE1 4.44Å; L73-Y86 HydrophobicContact CD2-CG 4.39Å |
| 74 | R | 93.7 | Very high | 93.3 | Very high | 182 Ų | 182 | 53.2 Ų | 53.2 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.4 | -36.8 | 175.7 | -173.1 | -176.8 | -64 | 160.8 | 1 | 112.1 | R70 R71 | R70-R74 WeakPolarHBondContact O-CB 3.4Å; R70-R74 PolarHBondContact O-N 3.47Å; R71-R74 WeakPolarHBondContact O-CB 3.18Å; R71-R74 PolarHBondContact O-N 3.39Å |
| 75 | N | 91.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76 | -24.3 | 179.2 | -69.1 | -18.7 | 0 | 0 | 0 | 112.5 | E44 R71 G72 L73 | E44-N75 WeakPolarHBondContact O-CB 3.25Å; E44-N75 PolarHBondContact O-ND2 2.67Å; E44-N75 PolarHBondContact OE2-ND2 3.31Å; R71-N75 PolarHBondContact O-N 3.08Å; G72-N75 PolarHBondContact O-N 2.87Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-N 3.41Å |
| 76 | D | 90.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -144 | 86.8 | 173.2 | -165.4 | -11.3 | 0 | 0 | 0 | 113.2 | G72 L73 K78 S79 | G72-D76 PolarHBondContact O-N 3.2Å; G72-D76 VanDerWaalsContact O-N 3.14Å; L73-D76 CarbonylContact O-C 3.59Å; L73-D76 PolarHBondContact O-N 3.02Å; D76-K78 PolarHBondContact O-N 3.3Å; D76-K78 PolarHBondContact OD1-N 3.23Å; D76-K78 VanDerWaalsContact OD1-N 3.16Å; D76-S79 VanDerWaalsContact CG-CB 3.48Å; D76-S79 PolarHBondContact OD1-N 3.28Å; D76-S79 VanDerWaalsContact OD1-N 3.11Å; D76-S79 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 77 | L | 91.4 | Very high | 93.6 | Very high | 105 Ų | 105 | 49.5 Ų | 49.5 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.3 | 179.8 | -68.6 | 172.4 | 0 | 0 | 0 | 113.9 | L73 W83 W109 | L73-L77 HydrophobicContact CG-CD2 4.25Å; L73-L77 WeakPolarHBondContact O-CD2 3.26Å; L73-L77 PolarHBondContact O-N 2.67Å; L77-W83 PolarHBondContact O-NE1 2.84Å; L77-W109 PolarHBondContact O-NE1 2.86Å |
| 78 | K | 91.6 | Very high | 93.5 | Very high | 134 Ų | 134 | 45.6 Ų | 45.6 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -1.3 | -178.3 | -58.6 | -167.7 | 175.8 | -177.6 | 0 | 112.8 | D76 W109 | D76-K78 PolarHBondContact O-N 3.3Å; D76-K78 PolarHBondContact OD1-N 3.23Å; D76-K78 VanDerWaalsContact OD1-N 3.16Å; K78-W109 HydrophobicContact CB-CD2 3.99Å; K78-W109 HydrophobicContact CB-CE3 4Å; K78-W109 HydrophobicContact CB-CH2 4.09Å; K78-W109 HydrophobicContact CB-CZ2 4.05Å; K78-W109 HydrophobicContact CB-CZ3 4.06Å; K78-W109 HydrophobicContact CD-CE3 4.46Å; K78-W109 HydrophobicContact CD-CH2 3.66Å; K78-W109 HydrophobicContact CD-CZ2 4.31Å; K78-W109 HydrophobicContact CD-CZ3 3.73Å; K78-W109 HydrophobicContact CG-CD2 4.49Å; K78-W109 HydrophobicContact CG-CE3 4.34Å; K78-W109 HydrophobicContact CG-CH2 3.54Å; K78-W109 HydrophobicContact CG-CZ2 3.67Å; K78-W109 HydrophobicContact CG-CZ3 3.89Å; K78-W109 WeakPolarHBondContact O-CB 3.43Å |
| 79 | S | 91.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -79 | 123.2 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | E47 D76 V81 C82 W83 | E47-S79 WeakPolarHBondContact CG-OG 3.25Å; E47-S79 WeakPolarHBondContact OE1-CB 3.42Å; E47-S79 PolarHBondContact OE1-OG 3.21Å; D76-S79 VanDerWaalsContact CG-CB 3.48Å; D76-S79 PolarHBondContact OD1-N 3.28Å; D76-S79 VanDerWaalsContact OD1-N 3.11Å; D76-S79 WeakPolarHBondContact OD2-CB 3.34Å; S79-V81 PolarHBondContact O-N 2.72Å; S79-V81 WeakPolarHBondContact OG-CB 3.44Å; S79-V81 PolarHBondContact OG-N 2.9Å; S79-V81 VanDerWaalsContact OG-N 3.1Å; S79-C82 PolarHBondContact O-N 3.19Å; S79-C82 PolarHBondContact OG-N 3.31Å; S79-W83 VanDerWaalsContact O-CD1 3.3Å; S79-W83 PolarHBondContact O-N 3.21Å | ||
| 80 | H | 92.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 45 Ų | 45 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.8 | -31.5 | 169.6 | 71.8 | -83.7 | 0 | 0 | 0 | 111.5 | H84 A106 W109 D110 I116 | H80-H84 WeakPolarHBondContact O-CB 3.44Å; H80-H84 PolarHBondContact O-N 3.46Å; H80-A106 HydrophobicContact CB-CB 4.39Å; H80-A106 WeakPolarHBondContact CB-O 3.44Å; H80-W109 HydrophobicContact CB-CB 4.26Å; H80-D110 HydrophobicContact CB-CB 3.88Å; H80-D110 IonicContact CD2-OD2 2.81Å; H80-D110 IonicContact NE2-OD2 3.61Å; H80-I116 HydrophobicContact CB-CD1 4.4Å |
| 81 | V | 91.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67 | -47.5 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | F14 E47 S79 W83 H84 V85 | F14-V81 HydrophobicContact CZ-CG1 4.3Å; E47-V81 HydrophobicContact CB-CB 4.46Å; E47-V81 HydrophobicContact CB-CG1 4.31Å; E47-V81 HydrophobicContact CG-CB 4.19Å; S79-V81 PolarHBondContact O-N 2.72Å; S79-V81 WeakPolarHBondContact OG-CB 3.44Å; S79-V81 PolarHBondContact OG-N 2.9Å; S79-V81 VanDerWaalsContact OG-N 3.1Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 2.85Å; V81-H84 PolarHBondContact O-N 3.43Å; V81-V85 HydrophobicContact CG1-CG2 4.2Å; V81-V85 WeakPolarHBondContact O-CB 3.29Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.25Å; V81-V85 PolarHBondContact O-N 3.16Å |
| 82 | C | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 178 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | G46 L73 S79 Y86 | G46-C82 VanDerWaalsContact C-SG 3.53Å; L73-C82 HydrophobicContact CB-CB 4.33Å; L73-C82 HydrophobicContact CD1-CB 3.67Å; S79-C82 PolarHBondContact O-N 3.19Å; S79-C82 PolarHBondContact OG-N 3.31Å; C82-Y86 WeakPolarHBondContact O-CB 3.46Å; C82-Y86 PolarHBondContact O-N 3.39Å |
| 83 | W | 96.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 16% | 0.163 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.9 | -78.6 | 112.3 | 0 | 0 | 0 | 112.7 | L73 L77 S79 V81 Y86 G87 C102 N105 A106 W109 | L73-W83 HydrophobicContact CD1-CD2 3.69Å; L73-W83 HydrophobicContact CD1-CE3 4.23Å; L73-W83 HydrophobicContact CD1-CG 3.92Å; L73-W83 HydrophobicContact CD1-CZ2 4.07Å; L73-W83 HydrophobicContact CD2-CD2 4.22Å; L73-W83 HydrophobicContact CD2-CE3 3.9Å; L73-W83 HydrophobicContact CD2-CH2 3.88Å; L73-W83 HydrophobicContact CD2-CZ2 4.19Å; L73-W83 HydrophobicContact CD2-CZ3 3.73Å; L73-W83 HydrophobicContact CG-CZ2 4.49Å; L77-W83 PolarHBondContact O-NE1 2.84Å; S79-W83 VanDerWaalsContact O-CD1 3.3Å; S79-W83 PolarHBondContact O-N 3.21Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 2.85Å; W83-Y86 HydrophobicContact CE3-CD1 4.5Å; W83-Y86 HydrophobicContact CZ3-CD1 4.36Å; W83-Y86 PolarHBondContact O-N 3.19Å; W83-G87 PolarHBondContact O-N 3.36Å; W83-C102 HydrophobicContact CE3-CB 4.32Å; W83-N105 HydrophobicContact CD2-CB 3.68Å; W83-N105 HydrophobicContact CE3-CB 3.92Å; W83-N105 HydrophobicContact CG-CB 4.04Å; W83-N105 HydrophobicContact CZ2-CB 4.35Å; W83-N105 HydrophobicContact CZ3-CB 4.34Å; W83-A106 HydrophobicContact CB-CB 3.63Å; W83-W109 AromaticContact NE1-NE1 3.99Å |
| 84 | H | 94.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 44 Ų | 44 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 177.5 | -179 | -144.1 | 0 | 0 | 0 | 111.2 | H80 V81 Y86 G87 L88 Y103 A106 I116 D119 | H80-H84 WeakPolarHBondContact O-CB 3.44Å; H80-H84 PolarHBondContact O-N 3.46Å; V81-H84 PolarHBondContact O-N 3.43Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 3.5Å; H84-G87 PolarHBondContact O-N 3.4Å; H84-G87 VanDerWaalsContact O-N 3.13Å; H84-L88 WeakPolarHBondContact O-CG 3.2Å; H84-L88 PolarHBondContact O-N 2.78Å; H84-Y103 AromaticContact CD2-CD1 3.87Å; H84-Y103 AromaticContact CD2-CE1 3.49Å; H84-Y103 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y103 WeakPolarHBondContact CD2-CE1 3.37Å; H84-A106 HydrophobicContact CB-CB 4.45Å; H84-I116 HydrophobicContact CB-CD1 4.05Å; H84-I116 HydrophobicContact CB-CG1 4.17Å; H84-D119 IonicContact CE1-OD2 2.71Å; H84-D119 IonicContact NE2-OD2 2.87Å; H84-D119 PolarHBondContact NE2-OD2 3.38Å |
| 85 | V | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | A50 M51 L54 V69 V81 G87 L88 L89 | A50-V85 HydrophobicContact CB-CB 4.13Å; A50-V85 HydrophobicContact CB-CG1 3.88Å; A50-V85 HydrophobicContact CB-CG2 4.49Å; A50-V85 WeakPolarHBondContact O-CG1 3.42Å; M51-V85 HydrophobicContact SD-CG2 3.62Å; L54-V85 HydrophobicContact CB-CG1 3.73Å; L54-V85 HydrophobicContact CD2-CG1 4.09Å; L54-V85 HydrophobicContact CD2-CG2 4.08Å; L54-V85 HydrophobicContact CG-CG1 4.38Å; V69-V85 HydrophobicContact CG1-CG1 4.24Å; V69-V85 HydrophobicContact CG2-CG1 4Å; V81-V85 HydrophobicContact CG1-CG2 4.2Å; V81-V85 WeakPolarHBondContact O-CB 3.29Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.25Å; V81-V85 PolarHBondContact O-N 3.16Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 3.48Å; V85-L88 PolarHBondContact O-N 2.91Å; V85-L89 PolarHBondContact O-N 2.84Å |
| 86 | Y | 95.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 14% | 0.137 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.8 | -169.6 | -140.6 | 0 | 0 | 0 | 112.2 | Y66 V69 R70 L73 C82 W83 H84 L89 Q90 C102 | Y66-Y86 HydrophobicContact CD1-CE2 4.32Å; Y66-Y86 HydrophobicContact CE1-CE2 4.18Å; V69-Y86 HydrophobicContact CG1-CD2 3.62Å; V69-Y86 HydrophobicContact CG1-CG 4.04Å; R70-Y86 HydrophobicContact CG-CE2 4.3Å; L73-Y86 HydrophobicContact CD2-CD1 3.85Å; L73-Y86 HydrophobicContact CD2-CE1 4.44Å; L73-Y86 HydrophobicContact CD2-CG 4.39Å; C82-Y86 WeakPolarHBondContact O-CB 3.46Å; C82-Y86 PolarHBondContact O-N 3.39Å; W83-Y86 HydrophobicContact CE3-CD1 4.5Å; W83-Y86 HydrophobicContact CZ3-CD1 4.36Å; W83-Y86 PolarHBondContact O-N 3.19Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 3.5Å; Y86-L89 HydrophobicContact CD2-CD2 4.49Å; Y86-L89 PolarHBondContact O-N 3.02Å; Y86-Q90 HydrophobicContact CD2-CG 4.42Å; Y86-Q90 HydrophobicContact CE2-CG 4.2Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.26Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.47Å; Y86-Q90 PolarHBondContact O-N 3.4Å; Y86-Q90 PolarHBondContact OH-NE2 3.23Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.28Å |
| 87 | G | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W83 H84 V85 L89 Q90 R91 A99 C102 | W83-G87 PolarHBondContact O-N 3.36Å; H84-G87 PolarHBondContact O-N 3.4Å; H84-G87 VanDerWaalsContact O-N 3.13Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 3.48Å; G87-L89 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.37Å; G87-Q90 PolarHBondContact O-N 3.19Å; G87-R91 WeakPolarHBondContact O-CB 3.43Å; G87-R91 PolarHBondContact O-N 2.88Å; G87-A99 VanDerWaalsContact O-CB 3.32Å; G87-A99 WeakPolarHBondContact O-CB 3.45Å; G87-C102 VanDerWaalsContact CA-CB 3.5Å |
| 88 | L | 93.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.5 | -70.5 | 170.7 | 0 | 0 | 0 | 111.9 | L54 H84 V85 R91 S92 Y103 | L54-L88 HydrophobicContact CD1-CB 4.12Å; L54-L88 HydrophobicContact CD2-CD1 3.93Å; H84-L88 WeakPolarHBondContact O-CG 3.2Å; H84-L88 PolarHBondContact O-N 2.78Å; V85-L88 PolarHBondContact O-N 2.91Å; L88-R91 VanDerWaalsContact CD2-NH2 3.25Å; L88-R91 PolarHBondContact O-N 2.95Å; L88-S92 PolarHBondContact O-N 3.08Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.32Å |
| 89 | L | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -50.1 | 175.8 | -176.1 | 63 | 0 | 0 | 0 | 111.3 | N57 A65 Y66 V69 V85 Y86 G87 R91 S92 D93 | N57-L89 HydrophobicContact CB-CD1 3.61Å; N57-L89 WeakPolarHBondContact ND2-CD1 3.32Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.42Å; A65-L89 HydrophobicContact CB-CD1 4.36Å; Y66-L89 HydrophobicContact CD1-CD2 3.68Å; Y66-L89 HydrophobicContact CD1-CG 4.47Å; Y66-L89 HydrophobicContact CD2-CD2 3.97Å; Y66-L89 HydrophobicContact CD2-CG 4.38Å; Y66-L89 HydrophobicContact CE1-CD2 3.73Å; Y66-L89 HydrophobicContact CE1-CG 4.05Å; Y66-L89 HydrophobicContact CE2-CD1 4.18Å; Y66-L89 HydrophobicContact CE2-CD2 4.01Å; Y66-L89 HydrophobicContact CE2-CG 3.95Å; Y66-L89 HydrophobicContact CG-CD2 3.81Å; V69-L89 HydrophobicContact CB-CD2 4.05Å; V69-L89 HydrophobicContact CG1-CD2 4.32Å; V69-L89 HydrophobicContact CG2-CD2 4.01Å; V85-L89 PolarHBondContact O-N 2.84Å; Y86-L89 HydrophobicContact CD2-CD2 4.49Å; Y86-L89 PolarHBondContact O-N 3.02Å; G87-L89 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.37Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.18Å; L89-S92 PolarHBondContact O-N 2.83Å; L89-S92 VanDerWaalsContact O-N 3.15Å; L89-S92 PolarHBondContact O-OG 3.19Å; L89-D93 PolarHBondContact O-N 2.83Å |
| 90 | Q | 93.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 177.4 | -65 | -71.8 | 0.2 | 0 | 0 | 112 | Y66 Y86 G87 S92 D93 K94 K95 E98 A99 | Y66-Q90 PolarHBondContact OH-OE1 3.37Å; Y86-Q90 HydrophobicContact CD2-CG 4.42Å; Y86-Q90 HydrophobicContact CE2-CG 4.2Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.26Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.47Å; Y86-Q90 PolarHBondContact O-N 3.4Å; Y86-Q90 PolarHBondContact OH-NE2 3.23Å; G87-Q90 PolarHBondContact O-N 3.19Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.91Å; Q90-D93 CarbonylContact O-C 3.53Å; Q90-D93 PolarHBondContact O-N 3.28Å; Q90-D93 VanDerWaalsContact O-N 3.13Å; Q90-K94 PolarHBondContact O-N 3.4Å; Q90-K95 HydrophobicContact CB-CB 4.35Å; Q90-K95 PolarHBondContact O-N 3.4Å; Q90-E98 HydrophobicContact CB-CB 4.37Å; Q90-E98 HydrophobicContact CG-CB 4.24Å; Q90-A99 HydrophobicContact CB-CB 4Å |
| 91 | R | 92.6 | Very high | 94 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 174.5 | -177.4 | -178.9 | 75.4 | -178.7 | 3.5 | 111.9 | G87 L88 L89 D93 K94 Y96 A99 D119 L123 | G87-R91 WeakPolarHBondContact O-CB 3.43Å; G87-R91 PolarHBondContact O-N 2.88Å; L88-R91 VanDerWaalsContact CD2-NH2 3.25Å; L88-R91 PolarHBondContact O-N 2.95Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.18Å; R91-D93 PolarHBondContact O-N 2.91Å; R91-K94 PolarHBondContact O-N 2.86Å; R91-Y96 HydrophobicContact CG-CD1 4.27Å; R91-Y96 HydrophobicContact CG-CE1 4.04Å; R91-A99 HydrophobicContact CB-CB 4.12Å; R91-D119 IonicContact NH1-OD1 3.6Å; R91-D119 PolarHBondContact NH1-OD1 2.77Å; R91-L123 HydrophobicContact CG-CD2 3.98Å |
| 92 | S | 89.8 | Confident | 94.2 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 19% | 0.189 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -21.7 | 177.9 | 74 | 0 | 0 | 0 | 0 | 113.4 | N57 L88 L89 Q90 | N57-S92 PolarHBondContact ND2-OG 3.02Å; L88-S92 PolarHBondContact O-N 3.08Å; L89-S92 PolarHBondContact O-N 2.83Å; L89-S92 VanDerWaalsContact O-N 3.15Å; L89-S92 PolarHBondContact O-OG 3.19Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.91Å |
| 93 | D | 88.6 | Confident | 94.4 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.193 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 13.8 | 172.9 | -72.8 | -12 | 0 | 0 | 0 | 113 | K62 Y66 L89 Q90 R91 K95 | K62-D93 IonicContact NZ-OD1 3.99Å; K62-D93 PolarHBondContact NZ-OD1 2.71Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.49Å; Y66-D93 PolarHBondContact OH-OD2 2.7Å; L89-D93 PolarHBondContact O-N 2.83Å; Q90-D93 CarbonylContact O-C 3.53Å; Q90-D93 PolarHBondContact O-N 3.28Å; Q90-D93 VanDerWaalsContact O-N 3.13Å; R91-D93 PolarHBondContact O-N 2.91Å; D93-K95 HydrophobicContact CB-CD 4.28Å; D93-K95 HydrophobicContact CB-CG 4.46Å; D93-K95 PolarHBondContact O-N 2.95Å; D93-K95 VanDerWaalsContact O-N 3.1Å |
| 94 | K | 91.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 45% | 0.452 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18.6 | 179.4 | -46.7 | -62.6 | -169.3 | 166.2 | 0 | 114.1 | Q90 R91 Y96 D520 | Q90-K94 PolarHBondContact O-N 3.4Å; R91-K94 PolarHBondContact O-N 2.86Å; K94-Y96 VanDerWaalsContact C-N 3.25Å; K94-Y96 HydrophobicContact CB-CE2 4.44Å; K94-Y96 WeakPolarHBondContact CD-OH 3.43Å; K94-Y96 PolarHBondContact O-N 3.22Å; K94-D520 VanDerWaalsContact CD-OD2 3.26Å; K94-D520 WeakPolarHBondContact CD-OD2 3.44Å; K94-D520 WeakPolarHBondContact CE-OD2 3.47Å; K94-D520 WeakPolarHBondContact CG-OD2 3.44Å; K94-D520 IonicContact NZ-OD2 2.71Å |
| 95 | K | 93.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 41 Ų | 41 | 46% | 0.457 | 19% | 0.187 | S | C | . | . | trans | -86.9 | 66.5 | 175.1 | -67.2 | 168.4 | -176.9 | 166.9 | 0 | 109.8 | Q90 D93 D97 E98 A99 | Q90-K95 HydrophobicContact CB-CB 4.35Å; Q90-K95 PolarHBondContact O-N 3.4Å; D93-K95 HydrophobicContact CB-CD 4.28Å; D93-K95 HydrophobicContact CB-CG 4.46Å; D93-K95 PolarHBondContact O-N 2.95Å; D93-K95 VanDerWaalsContact O-N 3.1Å; K95-D97 PolarHBondContact O-N 3.41Å; K95-E98 HydrophobicContact CB-CB 4.33Å; K95-E98 PolarHBondContact O-N 2.88Å; K95-A99 PolarHBondContact O-N 2.83Å | ||
| 96 | Y | 94.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | -170.5 | -62.1 | -50.5 | 0 | 0 | 0 | 113.5 | R91 K94 E98 A99 I100 L123 Q126 M127 D520 F523 | R91-Y96 HydrophobicContact CG-CD1 4.27Å; R91-Y96 HydrophobicContact CG-CE1 4.04Å; K94-Y96 VanDerWaalsContact C-N 3.25Å; K94-Y96 HydrophobicContact CB-CE2 4.44Å; K94-Y96 WeakPolarHBondContact CD-OH 3.43Å; K94-Y96 PolarHBondContact O-N 3.22Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 3.28Å; Y96-A99 PolarHBondContact O-N 3.46Å; Y96-A99 VanDerWaalsContact O-N 3.17Å; Y96-I100 WeakPolarHBondContact O-CG1 3.48Å; Y96-I100 PolarHBondContact O-N 2.8Å; Y96-L123 HydrophobicContact CD1-CD2 3.43Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.43Å; Y96-L123 HydrophobicContact CE1-CD2 3.99Å; Y96-L123 HydrophobicContact CG-CD2 4.25Å; Y96-Q126 HydrophobicContact CD2-CG 3.91Å; Y96-Q126 HydrophobicContact CE2-CG 3.8Å; Y96-Q126 HydrophobicContact CG-CG 4.43Å; Y96-M127 VanDerWaalsContact CB-SD 3.53Å; Y96-M127 HydrophobicContact CD2-SD 3.86Å; Y96-M127 HydrophobicContact CG-SD 4.13Å; Y96-D520 WeakPolarHBondContact CE2-OD1 3.28Å; Y96-F523 HydrophobicContact CE1-CD2 4.4Å; Y96-F523 HydrophobicContact CE1-CE2 4.42Å |
| 97 | D | 94.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 51% | 0.508 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.6 | -69.7 | -45.8 | 0 | 0 | 0 | 112.8 | K95 I100 K101 | K95-D97 PolarHBondContact O-N 3.41Å; D97-I100 PolarHBondContact O-N 3.04Å; D97-K101 WeakPolarHBondContact O-CG 3.24Å; D97-K101 PolarHBondContact O-N 3.08Å |
| 98 | E | 95.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.1 | -36.9 | 177.2 | -66.2 | -56.3 | 139.6 | 0 | 0 | 111.5 | Q90 K95 Y96 K101 C102 | Q90-E98 HydrophobicContact CB-CB 4.37Å; Q90-E98 HydrophobicContact CG-CB 4.24Å; K95-E98 HydrophobicContact CB-CB 4.33Å; K95-E98 PolarHBondContact O-N 2.88Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 3.28Å; E98-K101 PolarHBondContact O-N 3.28Å; E98-K101 IonicContact OE1-NZ 3.1Å; E98-K101 PolarHBondContact OE1-NZ 2.93Å; E98-K101 IonicContact OE2-NZ 3.39Å; E98-C102 PolarHBondContact O-N 3.22Å; E98-C102 VanDerWaalsContact O-N 3.1Å; E98-C102 PolarHBondContact O-SG 2.8Å |
| 99 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G87 Q90 R91 K95 Y96 K101 C102 Y103 L123 | G87-A99 VanDerWaalsContact O-CB 3.32Å; G87-A99 WeakPolarHBondContact O-CB 3.45Å; Q90-A99 HydrophobicContact CB-CB 4Å; R91-A99 HydrophobicContact CB-CB 4.12Å; K95-A99 PolarHBondContact O-N 2.83Å; Y96-A99 PolarHBondContact O-N 3.46Å; Y96-A99 VanDerWaalsContact O-N 3.17Å; A99-K101 PolarHBondContact O-N 3.38Å; A99-C102 WeakPolarHBondContact O-CB 3.37Å; A99-C102 PolarHBondContact O-N 3.34Å; A99-C102 VanDerWaalsContact O-N 3.17Å; A99-Y103 PolarHBondContact O-N 3.04Å; A99-L123 HydrophobicContact CB-CD1 3.44Å; A99-L123 VanDerWaalsContact CB-CD1 3.44Å |
| 100 | I | 96.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 173.8 | -71 | 169.4 | 0 | 0 | 0 | 110.7 | Y96 D97 C102 Y103 R104 L120 L123 M127 | Y96-I100 WeakPolarHBondContact O-CG1 3.48Å; Y96-I100 PolarHBondContact O-N 2.8Å; D97-I100 PolarHBondContact O-N 3.04Å; I100-C102 VanDerWaalsContact C-N 3.29Å; I100-C102 PolarHBondContact O-N 3.19Å; I100-Y103 PolarHBondContact O-N 3.07Å; I100-R104 HydrophobicContact CG2-CG 4.42Å; I100-R104 WeakPolarHBondContact O-CB 3.18Å; I100-R104 WeakPolarHBondContact O-CG 3.48Å; I100-R104 PolarHBondContact O-N 3.5Å; I100-L120 HydrophobicContact CB-CD1 4.39Å; I100-L120 HydrophobicContact CG1-CD1 4.3Å; I100-L120 HydrophobicContact CG2-CD1 3.94Å; I100-L123 HydrophobicContact CD1-CB 3.98Å; I100-L123 HydrophobicContact CG1-CB 3.54Å; I100-L123 HydrophobicContact CG1-CD1 3.86Å; I100-L123 HydrophobicContact CG1-CG 4.38Å; I100-M127 HydrophobicContact CD1-CB 4.31Å; I100-M127 HydrophobicContact CD1-CG 3.91Å |
| 101 | K | 96.6 | Very high | 94.1 | Very high | 107 Ų | 107 | 61 Ų | 61 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 176.1 | -67.2 | 171.2 | -168.6 | 169.8 | 0 | 111.5 | D97 E98 A99 N105 | D97-K101 WeakPolarHBondContact O-CG 3.24Å; D97-K101 PolarHBondContact O-N 3.08Å; E98-K101 PolarHBondContact O-N 3.28Å; E98-K101 IonicContact OE1-NZ 3.1Å; E98-K101 PolarHBondContact OE1-NZ 2.93Å; E98-K101 IonicContact OE2-NZ 3.39Å; A99-K101 PolarHBondContact O-N 3.38Å; K101-N105 PolarHBondContact O-N 2.9Å; K101-N105 VanDerWaalsContact O-N 3.07Å; K101-N105 PolarHBondContact O-ND2 3.48Å |
| 102 | C | 96.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 112 | W83 Y86 G87 E98 A99 I100 N105 A106 | W83-C102 HydrophobicContact CE3-CB 4.32Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.28Å; G87-C102 VanDerWaalsContact CA-CB 3.5Å; E98-C102 PolarHBondContact O-N 3.22Å; E98-C102 VanDerWaalsContact O-N 3.1Å; E98-C102 PolarHBondContact O-SG 2.8Å; A99-C102 WeakPolarHBondContact O-CB 3.37Å; A99-C102 PolarHBondContact O-N 3.34Å; A99-C102 VanDerWaalsContact O-N 3.17Å; I100-C102 VanDerWaalsContact C-N 3.29Å; I100-C102 PolarHBondContact O-N 3.19Å; C102-N105 PolarHBondContact O-N 3.28Å; C102-A106 PolarHBondContact O-N 3.19Å |
| 103 | Y | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.5 | -64.4 | -18.9 | 0 | 0 | 0 | 112.7 | H84 L88 A99 I100 N105 A106 L107 I116 D119 L120 L123 | H84-Y103 AromaticContact CD2-CD1 3.87Å; H84-Y103 AromaticContact CD2-CE1 3.49Å; H84-Y103 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y103 WeakPolarHBondContact CD2-CE1 3.37Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.32Å; A99-Y103 PolarHBondContact O-N 3.04Å; I100-Y103 PolarHBondContact O-N 3.07Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 2.95Å; Y103-A106 WeakPolarHBondContact O-CB 3.4Å; Y103-A106 PolarHBondContact O-N 3.3Å; Y103-A106 VanDerWaalsContact O-N 3.15Å; Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 3.29Å; Y103-I116 HydrophobicContact CD1-CG2 4.46Å; Y103-I116 HydrophobicContact CG-CG2 4.35Å; Y103-D119 HydrophobicContact CD2-CB 4.24Å; Y103-D119 HydrophobicContact CE2-CB 3.65Å; Y103-L120 HydrophobicContact CD2-CB 4.2Å; Y103-L123 HydrophobicContact CD2-CD1 3.6Å; Y103-L123 HydrophobicContact CD2-CG 4.4Å; Y103-L123 HydrophobicContact CE2-CD1 3.29Å; Y103-L123 HydrophobicContact CE2-CG 3.96Å |
| 104 | R | 95.3 | Very high | 94.6 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 172.3 | -74.6 | 180 | 173.9 | 163.2 | 3 | 111.9 | I100 K108 L120 D129 | I100-R104 HydrophobicContact CG2-CG 4.42Å; I100-R104 WeakPolarHBondContact O-CB 3.18Å; I100-R104 WeakPolarHBondContact O-CG 3.48Å; I100-R104 PolarHBondContact O-N 3.5Å; R104-K108 PolarHBondContact O-N 3.5Å; R104-L120 HydrophobicContact CG-CD1 4.42Å; R104-L120 HydrophobicContact CG-CD2 4.36Å; R104-D129 IonicContact NH2-OD2 3.82Å; R104-D129 PolarHBondContact NH2-OD2 3.05Å |
| 105 | N | 94.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 174.4 | -78.2 | -39.7 | 0 | 0 | 0 | 112.8 | W83 K101 C102 Y103 K108 | W83-N105 HydrophobicContact CD2-CB 3.68Å; W83-N105 HydrophobicContact CE3-CB 3.92Å; W83-N105 HydrophobicContact CG-CB 4.04Å; W83-N105 HydrophobicContact CZ2-CB 4.35Å; W83-N105 HydrophobicContact CZ3-CB 4.34Å; K101-N105 PolarHBondContact O-N 2.9Å; K101-N105 VanDerWaalsContact O-N 3.07Å; K101-N105 PolarHBondContact O-ND2 3.48Å; C102-N105 PolarHBondContact O-N 3.28Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 2.95Å; N105-K108 WeakPolarHBondContact O-CB 3.32Å; N105-K108 PolarHBondContact O-N 3.31Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å |
| 106 | A | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H80 W83 H84 C102 Y103 K108 W109 D110 I116 | H80-A106 HydrophobicContact CB-CB 4.39Å; H80-A106 WeakPolarHBondContact CB-O 3.44Å; W83-A106 HydrophobicContact CB-CB 3.63Å; H84-A106 HydrophobicContact CB-CB 4.45Å; C102-A106 PolarHBondContact O-N 3.19Å; Y103-A106 WeakPolarHBondContact O-CB 3.4Å; Y103-A106 PolarHBondContact O-N 3.3Å; Y103-A106 VanDerWaalsContact O-N 3.15Å; A106-K108 PolarHBondContact O-N 2.87Å; A106-W109 PolarHBondContact O-N 3.16Å; A106-D110 PolarHBondContact O-N 2.74Å; A106-I116 HydrophobicContact CB-CD1 3.87Å; A106-I116 HydrophobicContact CB-CG2 4.22Å |
| 107 | L | 94.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -16.4 | 178.6 | -68.4 | 169.5 | 0 | 0 | 0 | 114.1 | Y103 W109 D110 K111 N113 I116 L117 L120 | Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 3.29Å; L107-W109 PolarHBondContact O-N 3.04Å; L107-D110 WeakPolarHBondContact CD2-O 3.34Å; L107-D110 CarbonylContact O-C 3.53Å; L107-K111 WeakPolarHBondContact O-CA 3.45Å; L107-K111 WeakPolarHBondContact O-CB 3.49Å; L107-K111 PolarHBondContact O-N 3.2Å; L107-N113 HydrophobicContact CD2-CB 4.45Å; L107-I116 HydrophobicContact CD1-CG2 4.18Å; L107-I116 HydrophobicContact CD2-CB 3.9Å; L107-I116 HydrophobicContact CD2-CG2 3.77Å; L107-I116 HydrophobicContact CG-CB 4.36Å; L107-I116 HydrophobicContact CG-CG2 3.66Å; L107-L117 HydrophobicContact CD1-CD2 3.71Å; L107-L117 HydrophobicContact CD1-CG 4.45Å; L107-L117 HydrophobicContact CD2-CD2 3.86Å; L107-L117 HydrophobicContact CD2-CG 3.84Å; L107-L117 HydrophobicContact CG-CD2 4.46Å; L107-L120 HydrophobicContact CD1-CD2 3.55Å |
| 108 | K | 94.3 | Very high | 94.9 | Very high | 149 Ų | 149 | 57.7 Ų | 57.7 | 65% | 0.648 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 170.7 | -68.8 | 173.7 | -176.2 | 168.2 | 0 | 112.3 | R104 N105 A106 | R104-K108 PolarHBondContact O-N 3.5Å; N105-K108 WeakPolarHBondContact O-CB 3.32Å; N105-K108 PolarHBondContact O-N 3.31Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å; A106-K108 PolarHBondContact O-N 2.87Å |
| 109 | W | 93 | Very high | 94.9 | Very high | 120 Ų | 120 | 54.2 Ų | 54.2 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -24.9 | -176.5 | -55.2 | 111.7 | 0 | 0 | 0 | 112.7 | L77 K78 H80 W83 A106 L107 | L77-W109 PolarHBondContact O-NE1 2.86Å; K78-W109 HydrophobicContact CB-CD2 3.99Å; K78-W109 HydrophobicContact CB-CE3 4Å; K78-W109 HydrophobicContact CB-CH2 4.09Å; K78-W109 HydrophobicContact CB-CZ2 4.05Å; K78-W109 HydrophobicContact CB-CZ3 4.06Å; K78-W109 HydrophobicContact CD-CE3 4.46Å; K78-W109 HydrophobicContact CD-CH2 3.66Å; K78-W109 HydrophobicContact CD-CZ2 4.31Å; K78-W109 HydrophobicContact CD-CZ3 3.73Å; K78-W109 HydrophobicContact CG-CD2 4.49Å; K78-W109 HydrophobicContact CG-CE3 4.34Å; K78-W109 HydrophobicContact CG-CH2 3.54Å; K78-W109 HydrophobicContact CG-CZ2 3.67Å; K78-W109 HydrophobicContact CG-CZ3 3.89Å; K78-W109 WeakPolarHBondContact O-CB 3.43Å; H80-W109 HydrophobicContact CB-CB 4.26Å; W83-W109 AromaticContact NE1-NE1 3.99Å; A106-W109 PolarHBondContact O-N 3.16Å; L107-W109 PolarHBondContact O-N 3.04Å |
| 110 | D | 92 | Very high | 94.9 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | -142.4 | 87.4 | 171.7 | -175.4 | 10.5 | 0 | 0 | 0 | 110 | H80 A106 L107 D112 N113 | H80-D110 HydrophobicContact CB-CB 3.88Å; H80-D110 IonicContact CD2-OD2 2.81Å; H80-D110 IonicContact NE2-OD2 3.61Å; A106-D110 PolarHBondContact O-N 2.74Å; L107-D110 WeakPolarHBondContact CD2-O 3.34Å; L107-D110 CarbonylContact O-C 3.53Å; D110-D112 VanDerWaalsContact C-N 3.34Å; D110-D112 PolarHBondContact O-N 3.05Å; D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 WeakPolarHBondContact OD2-CB 3.22Å; D110-N113 PolarHBondContact OD2-ND2 2.97Å | ||
| 111 | K | 91.7 | Very high | 95 | Very high | 136 Ų | 136 | 54 Ų | 54 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -32.4 | -168.9 | 114.1 | 179.8 | -176 | -177.8 | 0 | 113.4 | L107 N113 | L107-K111 WeakPolarHBondContact O-CA 3.45Å; L107-K111 WeakPolarHBondContact O-CB 3.49Å; L107-K111 PolarHBondContact O-N 3.2Å; K111-N113 VanDerWaalsContact C-N 3.35Å |
| 112 | D | 93.8 | Very high | 95 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 17.3 | -171.8 | -62.4 | -39.6 | 0 | 0 | 0 | 111.5 | D110 L114 L143 | D110-D112 VanDerWaalsContact C-N 3.34Å; D110-D112 PolarHBondContact O-N 3.05Å; D112-L114 PolarHBondContact O-N 3.15Å; D112-L143 HydrophobicContact CB-CD1 4.18Å; D112-L143 HydrophobicContact CB-CD2 4.07Å |
| 113 | N | 94.1 | Very high | 95 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | trans | -68.9 | 101.3 | 177.2 | -163.3 | -59.4 | 0 | 0 | 0 | 111.4 | L107 D110 K111 Q115 I116 L117 | L107-N113 HydrophobicContact CD2-CB 4.45Å; D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 WeakPolarHBondContact OD2-CB 3.22Å; D110-N113 PolarHBondContact OD2-ND2 2.97Å; K111-N113 VanDerWaalsContact C-N 3.35Å; N113-Q115 VanDerWaalsContact C-N 3.25Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact OD1-N 2.95Å; N113-I116 HydrophobicContact CB-CB 4.18Å; N113-I116 HydrophobicContact CB-CD1 3.85Å; N113-I116 HydrophobicContact CB-CG1 4.11Å; N113-I116 PolarHBondContact O-N 3.46Å; N113-I116 PolarHBondContact OD1-N 3.01Å; N113-L117 WeakPolarHBondContact O-CG 3.22Å; N113-L117 PolarHBondContact O-N 3.43Å | ||
| 114 | L | 93.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.8 | -35.8 | -177.5 | -65.9 | 169.5 | 0 | 0 | 0 | 113.6 | D112 R118 L140 L143 R144 | D112-L114 PolarHBondContact O-N 3.15Å; L114-R118 VanDerWaalsContact O-CB 3.27Å; L114-R118 WeakPolarHBondContact O-CB 3.5Å; L114-R118 PolarHBondContact O-N 3.06Å; L114-L140 HydrophobicContact CD2-CD2 4.05Å; L114-L143 HydrophobicContact CD2-CB 3.78Å; L114-L143 HydrophobicContact CD2-CD1 3.82Å; L114-L143 HydrophobicContact CD2-CG 4.46Å; L114-R144 HydrophobicContact CD1-CG 3.93Å; L114-R144 VanDerWaalsContact CD1-NE 3.29Å; L114-R144 HydrophobicContact CD2-CG 3.82Å |
| 115 | Q | 92 | Very high | 95.2 | Very high | 75 Ų | 75 | 43.8 Ų | 43.8 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69 | -46.1 | -178.8 | 179.5 | 59 | 40.5 | 0 | 0 | 110.6 | N113 R118 D119 | N113-Q115 VanDerWaalsContact C-N 3.25Å; N113-Q115 PolarHBondContact O-N 2.96Å; N113-Q115 PolarHBondContact OD1-N 2.95Å; Q115-R118 PolarHBondContact O-N 3.17Å; Q115-D119 VanDerWaalsContact NE2-CG 3.31Å; Q115-D119 PolarHBondContact NE2-OD1 2.86Å; Q115-D119 PolarHBondContact NE2-OD2 2.87Å; Q115-D119 PolarHBondContact O-N 3.42Å |
| 116 | I | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | -179.9 | -57.6 | 171.3 | 0 | 0 | 0 | 110.4 | H80 H84 Y103 A106 L107 N113 R118 D119 L120 | H80-I116 HydrophobicContact CB-CD1 4.4Å; H84-I116 HydrophobicContact CB-CD1 4.05Å; H84-I116 HydrophobicContact CB-CG1 4.17Å; Y103-I116 HydrophobicContact CD1-CG2 4.46Å; Y103-I116 HydrophobicContact CG-CG2 4.35Å; A106-I116 HydrophobicContact CB-CD1 3.87Å; A106-I116 HydrophobicContact CB-CG2 4.22Å; L107-I116 HydrophobicContact CD1-CG2 4.18Å; L107-I116 HydrophobicContact CD2-CB 3.9Å; L107-I116 HydrophobicContact CD2-CG2 3.77Å; L107-I116 HydrophobicContact CG-CB 4.36Å; L107-I116 HydrophobicContact CG-CG2 3.66Å; N113-I116 HydrophobicContact CB-CB 4.18Å; N113-I116 HydrophobicContact CB-CD1 3.85Å; N113-I116 HydrophobicContact CB-CG1 4.11Å; N113-I116 PolarHBondContact O-N 3.46Å; N113-I116 PolarHBondContact OD1-N 3.01Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.41Å; I116-D119 PolarHBondContact O-N 3.43Å; I116-L120 VanDerWaalsContact O-CB 3.25Å; I116-L120 WeakPolarHBondContact O-CB 3.46Å; I116-L120 PolarHBondContact O-N 2.92Å |
| 117 | L | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.3 | -72.8 | 171.4 | 0 | 0 | 0 | 111.6 | L107 N113 L120 S121 T136 L140 L143 | L107-L117 HydrophobicContact CD1-CD2 3.71Å; L107-L117 HydrophobicContact CD1-CG 4.45Å; L107-L117 HydrophobicContact CD2-CD2 3.86Å; L107-L117 HydrophobicContact CD2-CG 3.84Å; L107-L117 HydrophobicContact CG-CD2 4.46Å; N113-L117 WeakPolarHBondContact O-CG 3.22Å; N113-L117 PolarHBondContact O-N 3.43Å; L117-L120 PolarHBondContact O-N 3.36Å; L117-S121 WeakPolarHBondContact O-CB 3.48Å; L117-S121 PolarHBondContact O-N 3.41Å; L117-T136 HydrophobicContact CB-CG2 4.23Å; L117-T136 HydrophobicContact CD2-CG2 4.07Å; L117-T136 WeakPolarHBondContact O-CG2 3.45Å; L117-L140 HydrophobicContact CB-CD1 4.49Å; L117-L140 HydrophobicContact CB-CD2 3.72Å; L117-L140 HydrophobicContact CB-CG 4.05Å; L117-L140 HydrophobicContact CD1-CD2 4.34Å; L117-L143 HydrophobicContact CD1-CD1 3.56Å |
| 118 | R | 95.2 | Very high | 95.5 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -53.7 | 175.1 | -177.1 | 174.1 | 66.4 | 172.1 | 3.2 | 110.7 | L114 Q115 I116 L120 S121 L122 | L114-R118 VanDerWaalsContact O-CB 3.27Å; L114-R118 WeakPolarHBondContact O-CB 3.5Å; L114-R118 PolarHBondContact O-N 3.06Å; Q115-R118 PolarHBondContact O-N 3.17Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.41Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 2.89Å; R118-S121 PolarHBondContact O-N 3.44Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R118-S121 PolarHBondContact O-OG 3.27Å; R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 3.16Å; R118-L122 VanDerWaalsContact O-N 3.11Å |
| 119 | D | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -40.2 | -179.8 | -74.3 | -36.4 | 0 | 0 | 0 | 112 | H84 R91 Y103 Q115 I116 L122 L123 | H84-D119 IonicContact CE1-OD2 2.71Å; H84-D119 IonicContact NE2-OD2 2.87Å; H84-D119 PolarHBondContact NE2-OD2 3.38Å; R91-D119 IonicContact NH1-OD1 3.6Å; R91-D119 PolarHBondContact NH1-OD1 2.77Å; Y103-D119 HydrophobicContact CD2-CB 4.24Å; Y103-D119 HydrophobicContact CE2-CB 3.65Å; Q115-D119 VanDerWaalsContact NE2-CG 3.31Å; Q115-D119 PolarHBondContact NE2-OD1 2.86Å; Q115-D119 PolarHBondContact NE2-OD2 2.87Å; Q115-D119 PolarHBondContact O-N 3.42Å; I116-D119 PolarHBondContact O-N 3.43Å; D119-L122 PolarHBondContact O-N 3.41Å; D119-L123 PolarHBondContact O-N 3.48Å |
| 120 | L | 97.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.1 | 177.1 | 60.8 | 0 | 0 | 0 | 111.6 | I100 Y103 R104 L107 I116 L117 R118 L122 L123 Q124 | I100-L120 HydrophobicContact CB-CD1 4.39Å; I100-L120 HydrophobicContact CG1-CD1 4.3Å; I100-L120 HydrophobicContact CG2-CD1 3.94Å; Y103-L120 HydrophobicContact CD2-CB 4.2Å; R104-L120 HydrophobicContact CG-CD1 4.42Å; R104-L120 HydrophobicContact CG-CD2 4.36Å; L107-L120 HydrophobicContact CD1-CD2 3.55Å; I116-L120 VanDerWaalsContact O-CB 3.25Å; I116-L120 WeakPolarHBondContact O-CB 3.46Å; I116-L120 PolarHBondContact O-N 2.92Å; L117-L120 PolarHBondContact O-N 3.36Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 2.89Å; L120-L122 PolarHBondContact O-N 3.39Å; L120-L123 PolarHBondContact O-N 3.31Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L120-Q124 HydrophobicContact CD1-CG 3.97Å; L120-Q124 HydrophobicContact CG-CG 4.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.49Å; L120-Q124 PolarHBondContact O-N 2.67Å |
| 121 | S | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -35.9 | 178.8 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | L117 R118 Q124 I125 Y133 R137 | L117-S121 WeakPolarHBondContact O-CB 3.48Å; L117-S121 PolarHBondContact O-N 3.41Å; R118-S121 PolarHBondContact O-N 3.44Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R118-S121 PolarHBondContact O-OG 3.27Å; S121-Q124 PolarHBondContact O-N 3.28Å; S121-I125 WeakPolarHBondContact O-CG2 3.43Å; S121-I125 PolarHBondContact O-N 2.81Å; S121-I125 VanDerWaalsContact O-N 3.11Å; S121-Y133 WeakPolarHBondContact O-CD2 3.5Å; S121-Y133 VanDerWaalsContact O-CE2 3.3Å; S121-Y133 WeakPolarHBondContact O-CE2 3.48Å; S121-R137 PolarHBondContact OG-NH2 3.41Å |
| 122 | L | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 177.1 | -57.5 | 177.6 | 0 | 0 | 0 | 111.7 | R118 D119 L120 I125 Q126 F523 H526 T527 | R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 3.16Å; R118-L122 VanDerWaalsContact O-N 3.11Å; D119-L122 PolarHBondContact O-N 3.41Å; L120-L122 PolarHBondContact O-N 3.39Å; L122-I125 VanDerWaalsContact O-CG2 3.29Å; L122-I125 WeakPolarHBondContact O-CG2 3.35Å; L122-Q126 WeakPolarHBondContact O-CB 3.13Å; L122-Q126 PolarHBondContact O-N 3.37Å; L122-Q126 VanDerWaalsContact O-N 3.09Å; L122-F523 HydrophobicContact CB-CE2 3.99Å; L122-F523 HydrophobicContact CB-CZ 3.96Å; L122-H526 HydrophobicContact CD2-CB 3.64Å; L122-T527 HydrophobicContact CD1-CG2 3.5Å; L122-T527 VanDerWaalsContact CD1-CG2 3.5Å; L122-T527 HydrophobicContact CD2-CG2 3.52Å; L122-T527 HydrophobicContact CG-CG2 4.15Å |
| 123 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -38.7 | 175.9 | -64.7 | -170.8 | 0 | 0 | 0 | 112.3 | R91 Y96 A99 I100 Y103 D119 L120 Q126 M127 F523 | R91-L123 HydrophobicContact CG-CD2 3.98Å; Y96-L123 HydrophobicContact CD1-CD2 3.43Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.43Å; Y96-L123 HydrophobicContact CE1-CD2 3.99Å; Y96-L123 HydrophobicContact CG-CD2 4.25Å; A99-L123 HydrophobicContact CB-CD1 3.44Å; A99-L123 VanDerWaalsContact CB-CD1 3.44Å; I100-L123 HydrophobicContact CD1-CB 3.98Å; I100-L123 HydrophobicContact CG1-CB 3.54Å; I100-L123 HydrophobicContact CG1-CD1 3.86Å; I100-L123 HydrophobicContact CG1-CG 4.38Å; Y103-L123 HydrophobicContact CD2-CD1 3.6Å; Y103-L123 HydrophobicContact CD2-CG 4.4Å; Y103-L123 HydrophobicContact CE2-CD1 3.29Å; Y103-L123 HydrophobicContact CE2-CG 3.96Å; D119-L123 PolarHBondContact O-N 3.48Å; L120-L123 PolarHBondContact O-N 3.31Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 3.38Å; L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 WeakPolarHBondContact O-CG 3.46Å; L123-M127 PolarHBondContact O-N 3.01Å; L123-F523 HydrophobicContact CD2-CE2 3.72Å; L123-F523 HydrophobicContact CD2-CZ 3.98Å |
| 124 | Q | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 179.8 | -73.2 | 174.4 | -50.6 | 0 | 0 | 111.4 | L120 S121 M127 R128 D129 G132 Y133 T136 | L120-Q124 HydrophobicContact CD1-CG 3.97Å; L120-Q124 HydrophobicContact CG-CG 4.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.49Å; L120-Q124 PolarHBondContact O-N 2.67Å; S121-Q124 PolarHBondContact O-N 3.28Å; Q124-M127 CarbonylContact O-C 3.59Å; Q124-M127 PolarHBondContact O-N 3.46Å; Q124-R128 CarbonylContact O-C 3.52Å; Q124-R128 PolarHBondContact O-N 2.9Å; Q124-D129 HydrophobicContact CB-CB 4.18Å; Q124-D129 HydrophobicContact CG-CB 4.36Å; Q124-D129 PolarHBondContact NE2-OD2 3.47Å; Q124-D129 PolarHBondContact O-N 2.84Å; Q124-G132 PolarHBondContact NE2-O 3.47Å; Q124-G132 VanDerWaalsContact NE2-O 3.1Å; Q124-G132 PolarHBondContact OE1-O 3.23Å; Q124-G132 VanDerWaalsContact OE1-O 3.06Å; Q124-Y133 HydrophobicContact CB-CD2 4.46Å; Q124-T136 PolarHBondContact OE1-OG1 2.72Å |
| 125 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 175.7 | -168.5 | 154.8 | 0 | 0 | 0 | 112.2 | S121 L122 M127 R128 Y133 L160 H526 Y538 L542 | S121-I125 WeakPolarHBondContact O-CG2 3.43Å; S121-I125 PolarHBondContact O-N 2.81Å; S121-I125 VanDerWaalsContact O-N 3.11Å; L122-I125 VanDerWaalsContact O-CG2 3.29Å; L122-I125 WeakPolarHBondContact O-CG2 3.35Å; I125-M127 VanDerWaalsContact C-N 3.26Å; I125-M127 PolarHBondContact O-N 3.21Å; I125-R128 WeakPolarHBondContact O-CD 3.47Å; I125-R128 PolarHBondContact O-N 3.46Å; I125-R128 VanDerWaalsContact O-N 3.08Å; I125-R128 PolarHBondContact O-NH1 3.19Å; I125-Y133 HydrophobicContact CB-CD2 3.79Å; I125-Y133 HydrophobicContact CB-CE2 3.78Å; I125-Y133 HydrophobicContact CB-CG 4.14Å; I125-Y133 HydrophobicContact CD1-CD1 4.16Å; I125-Y133 HydrophobicContact CD1-CE1 3.63Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.33Å; I125-Y133 HydrophobicContact CG2-CE2 3.98Å; I125-L160 HydrophobicContact CD1-CD1 3.86Å; I125-L160 HydrophobicContact CG1-CD1 4.46Å; I125-H526 HydrophobicContact CG2-CB 4.35Å; I125-Y538 HydrophobicContact CD1-CE1 4.48Å; I125-Y538 VanDerWaalsContact CD1-OH 3.29Å; I125-Y538 WeakPolarHBondContact CD1-OH 3.31Å; I125-L542 HydrophobicContact CD1-CD1 3.93Å; I125-L542 HydrophobicContact CG1-CD1 4.39Å; I125-L542 HydrophobicContact CG1-CD2 4.43Å |
| 126 | Q | 97.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 172.9 | -177.8 | 67.3 | 20.9 | 0 | 0 | 111.4 | Y96 L122 L123 R128 T519 F523 H526 | Y96-Q126 HydrophobicContact CD2-CG 3.91Å; Y96-Q126 HydrophobicContact CE2-CG 3.8Å; Y96-Q126 HydrophobicContact CG-CG 4.43Å; L122-Q126 WeakPolarHBondContact O-CB 3.13Å; L122-Q126 PolarHBondContact O-N 3.37Å; L122-Q126 VanDerWaalsContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 3.38Å; Q126-R128 VanDerWaalsContact C-N 3.32Å; Q126-T519 PolarHBondContact NE2-O 2.77Å; Q126-T519 VanDerWaalsContact NE2-O 3.09Å; Q126-F523 HydrophobicContact CB-CD2 4.1Å; Q126-F523 HydrophobicContact CB-CE2 4.4Å; Q126-F523 HydrophobicContact CG-CD2 4.1Å; Q126-H526 PolarHBondContact OE1-NE2 2.94Å |
| 127 | M | 96.9 | Very high | 97.4 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 37% | 0.369 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.9 | 179.9 | -60 | -51.8 | -64.8 | 0 | 0 | 113.9 | Y96 I100 L123 Q124 I125 D129 | Y96-M127 VanDerWaalsContact CB-SD 3.53Å; Y96-M127 HydrophobicContact CD2-SD 3.86Å; Y96-M127 HydrophobicContact CG-SD 4.13Å; I100-M127 HydrophobicContact CD1-CB 4.31Å; I100-M127 HydrophobicContact CD1-CG 3.91Å; L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 WeakPolarHBondContact O-CG 3.46Å; L123-M127 PolarHBondContact O-N 3.01Å; Q124-M127 CarbonylContact O-C 3.59Å; Q124-M127 PolarHBondContact O-N 3.46Å; I125-M127 VanDerWaalsContact C-N 3.26Å; I125-M127 PolarHBondContact O-N 3.21Å; M127-D129 PolarHBondContact O-N 2.67Å |
| 128 | R | 97.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 32.9 | -173.5 | -56.9 | -63.6 | -172.6 | -89.2 | -7.6 | 114 | Q124 I125 Q126 L130 L542 D546 | Q124-R128 CarbonylContact O-C 3.52Å; Q124-R128 PolarHBondContact O-N 2.9Å; I125-R128 WeakPolarHBondContact O-CD 3.47Å; I125-R128 PolarHBondContact O-N 3.46Å; I125-R128 VanDerWaalsContact O-N 3.08Å; I125-R128 PolarHBondContact O-NH1 3.19Å; Q126-R128 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 2.97Å; R128-L542 PolarHBondContact NH2-O 2.74Å; R128-D546 IonicContact CZ-OD1 3.65Å; R128-D546 IonicContact NE-OD1 3.57Å; R128-D546 PolarHBondContact NE-OD1 2.86Å; R128-D546 IonicContact NE-OD2 3.9Å; R128-D546 IonicContact NH2-OD1 3Å; R128-D546 PolarHBondContact NH2-OD1 2.96Å |
| 129 | D | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 36 Ų | 36 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | trans | -74.1 | 72 | 162.3 | 178 | 15 | 0 | 0 | 0 | 108.6 | R104 Q124 M127 E131 G132 Y133 | R104-D129 IonicContact NH2-OD2 3.82Å; R104-D129 PolarHBondContact NH2-OD2 3.05Å; Q124-D129 HydrophobicContact CB-CB 4.18Å; Q124-D129 HydrophobicContact CG-CB 4.36Å; Q124-D129 PolarHBondContact NE2-OD2 3.47Å; Q124-D129 PolarHBondContact O-N 2.84Å; M127-D129 PolarHBondContact O-N 2.67Å; D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.33Å; D129-G132 PolarHBondContact O-N 3.42Å; D129-G132 PolarHBondContact OD1-N 3.07Å; D129-Y133 VanDerWaalsContact O-CB 3.27Å; D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 2.97Å | ||
| 130 | L | 97.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 19% | 0.194 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | -171.1 | -60.9 | -176.6 | 0 | 0 | 0 | 112.6 | R128 Y133 R134 L160 L161 | R128-L130 PolarHBondContact O-N 2.97Å; L130-Y133 WeakPolarHBondContact O-CB 3.47Å; L130-Y133 PolarHBondContact O-N 3.4Å; L130-R134 WeakPolarHBondContact O-CB 3.5Å; L130-R134 PolarHBondContact O-N 3.48Å; L130-L160 HydrophobicContact CD1-CB 4.06Å; L130-L160 WeakPolarHBondContact CD1-O 3.49Å; L130-L160 HydrophobicContact CD2-CB 4Å; L130-L160 HydrophobicContact CD2-CD1 4.01Å; L130-L161 HydrophobicContact CB-CD2 3.6Å; L130-L161 HydrophobicContact CB-CG 3.99Å; L130-L161 HydrophobicContact CD1-CD2 4.16Å; L130-L161 HydrophobicContact CD1-CG 4.5Å |
| 131 | E | 97.1 | Very high | 97.4 | Very high | 94 Ų | 94 | 36.7 Ų | 36.7 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.9 | -49.1 | 175.7 | -74 | -65.4 | 178.2 | 0 | 0 | 111.5 | D129 Y133 R134 E135 L161 | D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.33Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.06Å; E131-R134 WeakPolarHBondContact O-CB 3.47Å; E131-R134 PolarHBondContact O-N 2.97Å; E131-R134 IonicContact OE2-CZ 3.24Å; E131-R134 VanDerWaalsContact OE2-CZ 3.25Å; E131-R134 IonicContact OE2-NE 3.84Å; E131-R134 PolarHBondContact OE2-NE 3.01Å; E131-R134 IonicContact OE2-NH2 3.54Å; E131-R134 PolarHBondContact OE2-NH2 2.96Å; E131-E135 PolarHBondContact O-N 3.2Å; E131-L161 HydrophobicContact CG-CD2 4.48Å |
| 132 | G | 96.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q124 D129 E135 T136 | Q124-G132 PolarHBondContact NE2-O 3.47Å; Q124-G132 VanDerWaalsContact NE2-O 3.1Å; Q124-G132 PolarHBondContact OE1-O 3.23Å; Q124-G132 VanDerWaalsContact OE1-O 3.06Å; D129-G132 PolarHBondContact O-N 3.42Å; D129-G132 PolarHBondContact OD1-N 3.07Å; G132-E135 PolarHBondContact O-N 2.99Å; G132-T136 WeakPolarHBondContact O-CB 3.37Å; G132-T136 PolarHBondContact O-N 3.29Å; G132-T136 PolarHBondContact O-OG1 3.42Å |
| 133 | Y | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.7 | -178.9 | -113.6 | 0 | 0 | 0 | 111.7 | S121 Q124 I125 D129 L130 E131 T136 R137 G153 A157 | S121-Y133 WeakPolarHBondContact O-CD2 3.5Å; S121-Y133 VanDerWaalsContact O-CE2 3.3Å; S121-Y133 WeakPolarHBondContact O-CE2 3.48Å; Q124-Y133 HydrophobicContact CB-CD2 4.46Å; I125-Y133 HydrophobicContact CB-CD2 3.79Å; I125-Y133 HydrophobicContact CB-CE2 3.78Å; I125-Y133 HydrophobicContact CB-CG 4.14Å; I125-Y133 HydrophobicContact CD1-CD1 4.16Å; I125-Y133 HydrophobicContact CD1-CE1 3.63Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.33Å; I125-Y133 HydrophobicContact CG2-CE2 3.98Å; D129-Y133 VanDerWaalsContact O-CB 3.27Å; D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 2.97Å; L130-Y133 WeakPolarHBondContact O-CB 3.47Å; L130-Y133 PolarHBondContact O-N 3.4Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.06Å; Y133-T136 PolarHBondContact O-N 2.86Å; Y133-R137 HydrophobicContact CD1-CG 4.28Å; Y133-R137 HydrophobicContact CD2-CG 4.07Å; Y133-R137 HydrophobicContact CE1-CG 3.94Å; Y133-R137 HydrophobicContact CE2-CG 3.77Å; Y133-R137 HydrophobicContact CG-CG 4.34Å; Y133-R137 WeakPolarHBondContact O-CB 3.36Å; Y133-R137 VanDerWaalsContact O-CG 3.22Å; Y133-R137 WeakPolarHBondContact O-CG 3.38Å; Y133-R137 PolarHBondContact O-N 3.23Å; Y133-R137 PolarHBondContact OH-NE 2.76Å; Y133-R137 PolarHBondContact OH-NH2 3.1Å; Y133-G153 WeakPolarHBondContact CE1-O 3.48Å; Y133-A157 HydrophobicContact CD1-CB 3.54Å; Y133-A157 HydrophobicContact CE1-CB 3.77Å |
| 134 | R | 98.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -49 | 176 | -177.6 | -177 | 64.6 | 118.4 | -2.4 | 111.7 | L130 E131 R137 Y138 Y154 A157 Y158 L161 | L130-R134 WeakPolarHBondContact O-CB 3.5Å; L130-R134 PolarHBondContact O-N 3.48Å; E131-R134 WeakPolarHBondContact O-CB 3.47Å; E131-R134 PolarHBondContact O-N 2.97Å; E131-R134 IonicContact OE2-CZ 3.24Å; E131-R134 VanDerWaalsContact OE2-CZ 3.25Å; E131-R134 IonicContact OE2-NE 3.84Å; E131-R134 PolarHBondContact OE2-NE 3.01Å; E131-R134 IonicContact OE2-NH2 3.54Å; E131-R134 PolarHBondContact OE2-NH2 2.96Å; R134-R137 PolarHBondContact O-N 2.89Å; R134-Y138 WeakPolarHBondContact O-CB 3.39Å; R134-Y138 PolarHBondContact O-N 3.31Å; R134-Y154 HydrophobicContact CG-CE2 4.14Å; R134-A157 HydrophobicContact CB-CB 3.94Å; R134-A157 HydrophobicContact CG-CB 4.33Å; R134-Y158 HydrophobicContact CG-CE1 4.45Å; R134-Y158 HydrophobicContact CG-CE2 4.28Å; R134-Y158 PolarHBondContact NH1-OH 3.34Å; R134-L161 HydrophobicContact CB-CD1 4.15Å; R134-L161 HydrophobicContact CG-CD1 4.39Å |
| 135 | E | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 54.1 Ų | 54.1 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | 178.4 | -71 | -177.9 | 172.2 | 0 | 0 | 112 | E131 G132 R137 Y138 Q139 | E131-E135 PolarHBondContact O-N 3.2Å; G132-E135 PolarHBondContact O-N 2.99Å; E135-R137 PolarHBondContact O-N 3.22Å; E135-Y138 WeakPolarHBondContact O-CB 3.46Å; E135-Y138 PolarHBondContact O-N 3.46Å; E135-Q139 PolarHBondContact O-N 3.1Å |
| 136 | T | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 179.3 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L117 Q124 G132 Y133 Q139 L140 | L117-T136 HydrophobicContact CB-CG2 4.23Å; L117-T136 HydrophobicContact CD2-CG2 4.07Å; L117-T136 WeakPolarHBondContact O-CG2 3.45Å; Q124-T136 PolarHBondContact OE1-OG1 2.72Å; G132-T136 WeakPolarHBondContact O-CB 3.37Å; G132-T136 PolarHBondContact O-N 3.29Å; G132-T136 PolarHBondContact O-OG1 3.42Å; Y133-T136 PolarHBondContact O-N 2.86Å; T136-Q139 PolarHBondContact O-N 3.46Å; T136-L140 HydrophobicContact CG2-CD1 4.41Å; T136-L140 WeakPolarHBondContact O-CG 3.5Å; T136-L140 PolarHBondContact O-N 3.47Å |
| 137 | R | 97.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 63 Ų | 63 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 176.7 | -72.9 | -62.9 | -171.7 | -172.8 | -4.9 | 112.7 | S121 Y133 R134 E135 L140 L141 Y154 M530 | S121-R137 PolarHBondContact OG-NH2 3.41Å; Y133-R137 HydrophobicContact CD1-CG 4.28Å; Y133-R137 HydrophobicContact CD2-CG 4.07Å; Y133-R137 HydrophobicContact CE1-CG 3.94Å; Y133-R137 HydrophobicContact CE2-CG 3.77Å; Y133-R137 HydrophobicContact CG-CG 4.34Å; Y133-R137 WeakPolarHBondContact O-CB 3.36Å; Y133-R137 VanDerWaalsContact O-CG 3.22Å; Y133-R137 WeakPolarHBondContact O-CG 3.38Å; Y133-R137 PolarHBondContact O-N 3.23Å; Y133-R137 PolarHBondContact OH-NE 2.76Å; Y133-R137 PolarHBondContact OH-NH2 3.1Å; R134-R137 PolarHBondContact O-N 2.89Å; E135-R137 PolarHBondContact O-N 3.22Å; R137-L140 PolarHBondContact O-N 3.14Å; R137-L141 WeakPolarHBondContact O-CB 3.33Å; R137-L141 PolarHBondContact O-N 2.97Å; R137-Y154 HydrophobicContact CB-CD2 4.26Å; R137-M530 PolarHBondContact NH2-SD 3.18Å; R137-M530 VanDerWaalsContact NH2-SD 3.44Å |
| 138 | Y | 97.5 | Very high | 95.8 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 42% | 0.424 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 171.6 | 179.8 | -114.6 | 0 | 0 | 0 | 111.4 | R134 E135 L140 L141 Q142 Y154 | R134-Y138 WeakPolarHBondContact O-CB 3.39Å; R134-Y138 PolarHBondContact O-N 3.31Å; E135-Y138 WeakPolarHBondContact O-CB 3.46Å; E135-Y138 PolarHBondContact O-N 3.46Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.48Å; Y138-L141 WeakPolarHBondContact O-CB 3.48Å; Y138-L141 PolarHBondContact O-N 3.26Å; Y138-L141 VanDerWaalsContact O-N 3.15Å; Y138-Q142 HydrophobicContact CD1-CG 4.44Å; Y138-Q142 HydrophobicContact CD2-CG 4.46Å; Y138-Q142 HydrophobicContact CE1-CG 4.06Å; Y138-Q142 HydrophobicContact CE2-CG 4.11Å; Y138-Q142 WeakPolarHBondContact O-CG 3.48Å; Y138-Q142 PolarHBondContact O-N 3.27Å; Y138-Q142 PolarHBondContact OH-NE2 3.26Å; Y138-Y154 HydrophobicContact CD2-CE1 4.03Å; Y138-Y154 AromaticContact CD2-CE2 3.93Å; Y138-Y154 HydrophobicContact CD2-CE2 3.93Å; Y138-Y154 AromaticContact CD2-CZ 3.49Å; Y138-Y154 VanDerWaalsContact CD2-CZ 3.49Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.34Å; Y138-Y154 HydrophobicContact CG-CE2 4.17Å |
| 139 | Q | 96.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.8 | -73.4 | -177.6 | 1.4 | 0 | 0 | 112.2 | E135 T136 L141 Q142 L143 | E135-Q139 PolarHBondContact O-N 3.1Å; T136-Q139 PolarHBondContact O-N 3.46Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.32Å; Q139-Q142 PolarHBondContact O-N 3.21Å; Q139-L143 WeakPolarHBondContact O-CG 3.24Å; Q139-L143 PolarHBondContact O-N 3.41Å |
| 140 | L | 96.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -38 | 175.6 | -75.6 | 169.3 | 0 | 0 | 0 | 112.5 | L114 L117 T136 R137 Y138 R144 | L114-L140 HydrophobicContact CD2-CD2 4.05Å; L117-L140 HydrophobicContact CB-CD1 4.49Å; L117-L140 HydrophobicContact CB-CD2 3.72Å; L117-L140 HydrophobicContact CB-CG 4.05Å; L117-L140 HydrophobicContact CD1-CD2 4.34Å; T136-L140 HydrophobicContact CG2-CD1 4.41Å; T136-L140 WeakPolarHBondContact O-CG 3.5Å; T136-L140 PolarHBondContact O-N 3.47Å; R137-L140 PolarHBondContact O-N 3.14Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.48Å; L140-R144 PolarHBondContact O-N 2.9Å |
| 141 | L | 96.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 174.7 | -178.8 | 65.7 | 0 | 0 | 0 | 112.2 | R137 Y138 Q139 L143 R144 P145 W151 Y154 | R137-L141 WeakPolarHBondContact O-CB 3.33Å; R137-L141 PolarHBondContact O-N 2.97Å; Y138-L141 WeakPolarHBondContact O-CB 3.48Å; Y138-L141 PolarHBondContact O-N 3.26Å; Y138-L141 VanDerWaalsContact O-N 3.15Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.32Å; L141-L143 PolarHBondContact O-N 3.36Å; L141-R144 CarbonylContact O-C 3.59Å; L141-R144 PolarHBondContact O-N 2.81Å; L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.46Å; L141-P145 WeakPolarHBondContact O-CB 3.44Å; L141-P145 VanDerWaalsContact O-CD 3.29Å; L141-P145 WeakPolarHBondContact O-CD 2.98Å; L141-W151 HydrophobicContact CD1-CD2 3.81Å; L141-W151 HydrophobicContact CD1-CE3 4.45Å; L141-W151 HydrophobicContact CD1-CG 3.89Å; L141-W151 HydrophobicContact CD1-CZ2 4.31Å; L141-Y154 HydrophobicContact CD2-CD1 3.57Å; L141-Y154 HydrophobicContact CD2-CE1 4.1Å; L141-Y154 HydrophobicContact CD2-CG 4.22Å |
| 142 | Q | 96.1 | Very high | 95 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.5 | -66.4 | -58.6 | -38.7 | 0 | 0 | 112 | Y138 Q139 | Y138-Q142 HydrophobicContact CD1-CG 4.44Å; Y138-Q142 HydrophobicContact CD2-CG 4.46Å; Y138-Q142 HydrophobicContact CE1-CG 4.06Å; Y138-Q142 HydrophobicContact CE2-CG 4.11Å; Y138-Q142 WeakPolarHBondContact O-CG 3.48Å; Y138-Q142 PolarHBondContact O-N 3.27Å; Y138-Q142 PolarHBondContact OH-NE2 3.26Å; Q139-Q142 PolarHBondContact O-N 3.21Å |
| 143 | L | 95.9 | Very high | 95 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.6 | -34 | 179.9 | -67.1 | 172.2 | 0 | 0 | 0 | 112.9 | D112 L114 L117 Q139 L141 | D112-L143 HydrophobicContact CB-CD1 4.18Å; D112-L143 HydrophobicContact CB-CD2 4.07Å; L114-L143 HydrophobicContact CD2-CB 3.78Å; L114-L143 HydrophobicContact CD2-CD1 3.82Å; L114-L143 HydrophobicContact CD2-CG 4.46Å; L117-L143 HydrophobicContact CD1-CD1 3.56Å; Q139-L143 WeakPolarHBondContact O-CG 3.24Å; Q139-L143 PolarHBondContact O-N 3.41Å; L141-L143 PolarHBondContact O-N 3.36Å |
| 144 | R | 93.7 | Very high | 95 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 47% | 0.468 | 29% | 0.286 | S | S | . | . | trans | -139.5 | 71.6 | -175.8 | -65.9 | -64.9 | -174.3 | 170.2 | -0.3 | 111.8 | L114 L140 L141 A146 Q147 S150 | L114-R144 HydrophobicContact CD1-CG 3.93Å; L114-R144 VanDerWaalsContact CD1-NE 3.29Å; L114-R144 HydrophobicContact CD2-CG 3.82Å; L140-R144 PolarHBondContact O-N 2.9Å; L141-R144 CarbonylContact O-C 3.59Å; L141-R144 PolarHBondContact O-N 2.81Å; R144-A146 VanDerWaalsContact C-N 3.27Å; R144-A146 PolarHBondContact O-N 3.3Å; R144-Q147 HydrophobicContact CB-CB 4.44Å; R144-Q147 HydrophobicContact CB-CG 4.1Å; R144-Q147 PolarHBondContact O-N 2.67Å; R144-S150 PolarHBondContact O-OG 3.03Å | ||
| 145 | P | 92.9 | Very high | 94.9 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21 | -179.7 | 27.2 | -34.8 | 0 | 0 | 0 | 113.4 | L141 Q147 W151 | L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.46Å; L141-P145 WeakPolarHBondContact O-CB 3.44Å; L141-P145 VanDerWaalsContact O-CD 3.29Å; L141-P145 WeakPolarHBondContact O-CD 2.98Å; P145-Q147 PolarHBondContact O-N 2.93Å; P145-W151 PolarHBondContact O-NE1 2.67Å |
| 146 | A | 90.2 | Very high | 94.9 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 85% | 0.851 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R144 | R144-A146 VanDerWaalsContact C-N 3.27Å; R144-A146 PolarHBondContact O-N 3.3Å |
| 147 | Q | 89.3 | Confident | 95 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | trans | -90.2 | 123.4 | -178.2 | -67.2 | -176.9 | 9.8 | 0 | 0 | 110.8 | R144 P145 A149 S150 | R144-Q147 HydrophobicContact CB-CB 4.44Å; R144-Q147 HydrophobicContact CB-CG 4.1Å; R144-Q147 PolarHBondContact O-N 2.67Å; P145-Q147 PolarHBondContact O-N 2.93Å; Q147-A149 VanDerWaalsContact C-N 3.26Å; Q147-A149 PolarHBondContact O-N 2.88Å; Q147-S150 WeakPolarHBondContact O-CB 3.43Å; Q147-S150 PolarHBondContact O-N 3.04Å | ||
| 148 | R | 90.6 | Very high | 95 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -51.9 | -43.5 | 176.5 | -61.9 | -170.4 | -64.5 | 171.4 | 8 | 112.8 | S150 W151 I152 F174 E188 | R148-S150 PolarHBondContact O-N 2.86Å; R148-S150 VanDerWaalsContact O-N 3.15Å; R148-W151 PolarHBondContact O-N 2.73Å; R148-W151 VanDerWaalsContact O-N 3.13Å; R148-I152 HydrophobicContact CB-CD1 4.16Å; R148-I152 VanDerWaalsContact O-CD1 3.31Å; R148-I152 WeakPolarHBondContact O-CD1 3.33Å; R148-I152 WeakPolarHBondContact O-CG1 3.4Å; R148-I152 PolarHBondContact O-N 3.06Å; R148-I152 VanDerWaalsContact O-N 3.08Å; R148-F174 HydrophobicContact CB-CE2 4.05Å; R148-F174 HydrophobicContact CB-CZ 3.72Å; R148-F174 HydrophobicContact CG-CE2 3.99Å; R148-F174 HydrophobicContact CG-CZ 3.81Å; R148-E188 IonicContact CZ-OE2 3.1Å; R148-E188 IonicContact NH1-OE2 3.3Å; R148-E188 PolarHBondContact NH1-OE2 2.98Å; R148-E188 IonicContact NH2-OE2 3.97Å; R148-E188 PolarHBondContact NH2-OE2 2.88Å |
| 149 | A | 91 | Very high | 95 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.6 | -28.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q147 G153 | Q147-A149 VanDerWaalsContact C-N 3.26Å; Q147-A149 PolarHBondContact O-N 2.88Å; A149-G153 PolarHBondContact O-N 3.33Å |
| 150 | S | 92.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | R144 Q147 R148 Y154 | R144-S150 PolarHBondContact O-OG 3.03Å; Q147-S150 WeakPolarHBondContact O-CB 3.43Å; Q147-S150 PolarHBondContact O-N 3.04Å; R148-S150 PolarHBondContact O-N 2.86Å; R148-S150 VanDerWaalsContact O-N 3.15Å; S150-Y154 WeakPolarHBondContact O-CB 3.23Å; S150-Y154 PolarHBondContact O-N 2.94Å |
| 151 | W | 95.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 176.6 | -70.1 | 90.4 | 0 | 0 | 0 | 111.8 | L141 P145 R148 Y154 A155 I170 E173 F174 | L141-W151 HydrophobicContact CD1-CD2 3.81Å; L141-W151 HydrophobicContact CD1-CE3 4.45Å; L141-W151 HydrophobicContact CD1-CG 3.89Å; L141-W151 HydrophobicContact CD1-CZ2 4.31Å; P145-W151 PolarHBondContact O-NE1 2.67Å; R148-W151 PolarHBondContact O-N 2.73Å; R148-W151 VanDerWaalsContact O-N 3.13Å; W151-Y154 PolarHBondContact O-N 3.28Å; W151-A155 WeakPolarHBondContact O-CB 3.43Å; W151-A155 PolarHBondContact O-N 3.45Å; W151-I170 HydrophobicContact CE3-CG2 3.99Å; W151-E173 HydrophobicContact CH2-CB 4.43Å; W151-E173 HydrophobicContact CZ3-CB 3.93Å; W151-F174 HydrophobicContact CB-CB 3.95Å; W151-F174 HydrophobicContact CB-CD1 4.24Å; W151-F174 HydrophobicContact CB-CD2 3.37Å; W151-F174 HydrophobicContact CB-CE2 3.88Å; W151-F174 HydrophobicContact CB-CG 3.58Å; W151-F174 AromaticContact CD1-CD2 3.58Å; W151-F174 AromaticContact CD1-CE2 3.9Å; W151-F174 HydrophobicContact CD2-CB 3.98Å; W151-F174 AromaticContact CD2-CD2 3.84Å; W151-F174 HydrophobicContact CD2-CD2 3.84Å; W151-F174 HydrophobicContact CD2-CG 4.27Å; W151-F174 HydrophobicContact CE3-CB 3.79Å; W151-F174 HydrophobicContact CG-CB 4.08Å; W151-F174 AromaticContact CG-CD2 3.29Å; W151-F174 HydrophobicContact CG-CD2 3.29Å; W151-F174 AromaticContact CG-CE2 3.94Å; W151-F174 HydrophobicContact CG-CE2 3.94Å; W151-F174 AromaticContact CG-CG 3.87Å; W151-F174 HydrophobicContact CG-CG 3.87Å |
| 152 | I | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | -178.8 | -64.6 | 155.9 | 0 | 0 | 0 | 110.8 | R148 Y154 A155 I156 F174 M530 M533 L535 | R148-I152 HydrophobicContact CB-CD1 4.16Å; R148-I152 VanDerWaalsContact O-CD1 3.31Å; R148-I152 WeakPolarHBondContact O-CD1 3.33Å; R148-I152 WeakPolarHBondContact O-CG1 3.4Å; R148-I152 PolarHBondContact O-N 3.06Å; R148-I152 VanDerWaalsContact O-N 3.08Å; I152-Y154 PolarHBondContact O-N 2.87Å; I152-A155 PolarHBondContact O-N 3.39Å; I152-I156 HydrophobicContact CG2-CD1 3.56Å; I152-I156 HydrophobicContact CG2-CG1 4.35Å; I152-I156 WeakPolarHBondContact O-CB 3.37Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.49Å; I152-I156 PolarHBondContact O-N 3.4Å; I152-F174 HydrophobicContact CD1-CE1 4.32Å; I152-F174 HydrophobicContact CD1-CZ 4.39Å; I152-F174 HydrophobicContact CG1-CE1 3.95Å; I152-F174 HydrophobicContact CG1-CZ 4.34Å; I152-M530 HydrophobicContact CG2-CB 4.47Å; I152-M530 HydrophobicContact CG2-CG 4.02Å; I152-M533 HydrophobicContact CD1-CE 3.98Å; I152-M533 HydrophobicContact CD1-SD 3.15Å; I152-M533 WeakPolarHBondContact CD1-SD 3.16Å; I152-M533 HydrophobicContact CG1-CE 4.46Å; I152-M533 HydrophobicContact CG1-SD 4.16Å; I152-L535 HydrophobicContact CG1-CD1 4.42Å; I152-L535 HydrophobicContact CG2-CD1 4Å; I152-L535 HydrophobicContact CG2-CD2 3.49Å; I152-L535 VanDerWaalsContact CG2-CD2 3.49Å; I152-L535 HydrophobicContact CG2-CG 4.4Å |
| 153 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y133 A149 A157 | Y133-G153 WeakPolarHBondContact CE1-O 3.48Å; A149-G153 PolarHBondContact O-N 3.33Å; G153-A157 WeakPolarHBondContact O-CB 3.27Å; G153-A157 PolarHBondContact O-N 2.91Å; G153-A157 VanDerWaalsContact O-N 3.11Å |
| 154 | Y | 97.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 46 Ų | 46 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.5 | -41.1 | 177.3 | -167.2 | -133.2 | 0 | 0 | 0 | 112.7 | R134 R137 Y138 L141 S150 W151 I152 A157 Y158 I170 | R134-Y154 HydrophobicContact CG-CE2 4.14Å; R137-Y154 HydrophobicContact CB-CD2 4.26Å; Y138-Y154 HydrophobicContact CD2-CE1 4.03Å; Y138-Y154 AromaticContact CD2-CE2 3.93Å; Y138-Y154 HydrophobicContact CD2-CE2 3.93Å; Y138-Y154 AromaticContact CD2-CZ 3.49Å; Y138-Y154 VanDerWaalsContact CD2-CZ 3.49Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.34Å; Y138-Y154 HydrophobicContact CG-CE2 4.17Å; L141-Y154 HydrophobicContact CD2-CD1 3.57Å; L141-Y154 HydrophobicContact CD2-CE1 4.1Å; L141-Y154 HydrophobicContact CD2-CG 4.22Å; S150-Y154 WeakPolarHBondContact O-CB 3.23Å; S150-Y154 PolarHBondContact O-N 2.94Å; W151-Y154 PolarHBondContact O-N 3.28Å; I152-Y154 PolarHBondContact O-N 2.87Å; Y154-A157 WeakPolarHBondContact O-CB 3.48Å; Y154-A157 PolarHBondContact O-N 3.28Å; Y154-Y158 HydrophobicContact CD1-CE2 4.44Å; Y154-Y158 HydrophobicContact CD2-CD2 4.43Å; Y154-Y158 HydrophobicContact CD2-CE2 4.06Å; Y154-Y158 AromaticContact CE1-CE2 3.88Å; Y154-Y158 HydrophobicContact CE1-CE2 3.88Å; Y154-Y158 HydrophobicContact CE2-CD2 4.19Å; Y154-Y158 AromaticContact CE2-CE2 3.4Å; Y154-Y158 HydrophobicContact CE2-CE2 3.4Å; Y154-Y158 VanDerWaalsContact CE2-CE2 3.4Å; Y154-Y158 AromaticContact CZ-CE2 3.33Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.19Å; Y154-Y158 PolarHBondContact O-N 3.32Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.34Å; Y154-Y158 PolarHBondContact OH-OH 3.26Å; Y154-I170 HydrophobicContact CD1-CD1 3.44Å; Y154-I170 VanDerWaalsContact CD1-CD1 3.44Å; Y154-I170 HydrophobicContact CD1-CG1 4.05Å; Y154-I170 HydrophobicContact CD1-CG2 4.19Å; Y154-I170 HydrophobicContact CE1-CD1 3.55Å; Y154-I170 HydrophobicContact CE1-CG1 4.17Å; Y154-I170 HydrophobicContact CG-CD1 4.16Å |
| 155 | A | 97.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W151 I152 A157 Y158 H159 I170 I171 | W151-A155 WeakPolarHBondContact O-CB 3.43Å; W151-A155 PolarHBondContact O-N 3.45Å; I152-A155 PolarHBondContact O-N 3.39Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A155-A157 PolarHBondContact O-N 2.97Å; A155-Y158 PolarHBondContact O-N 2.87Å; A155-H159 WeakPolarHBondContact O-CB 3.34Å; A155-H159 PolarHBondContact O-N 3.5Å; A155-I170 HydrophobicContact CB-CB 4.35Å; A155-I170 HydrophobicContact CB-CG2 3.92Å; A155-I171 HydrophobicContact CB-CD1 4.25Å; A155-I171 HydrophobicContact CB-CG1 3.62Å |
| 156 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | 177.4 | -68.5 | 165.8 | 0 | 0 | 0 | 111 | I152 Y158 H159 L160 Y195 L535 Y538 V539 | I152-I156 HydrophobicContact CG2-CD1 3.56Å; I152-I156 HydrophobicContact CG2-CG1 4.35Å; I152-I156 WeakPolarHBondContact O-CB 3.37Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.49Å; I152-I156 PolarHBondContact O-N 3.4Å; I156-Y158 PolarHBondContact O-N 3.42Å; I156-H159 PolarHBondContact O-N 3.15Å; I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.03Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.44Å; I156-Y195 WeakPolarHBondContact CG1-OH 3.47Å; I156-L535 HydrophobicContact CD1-CD2 4.36Å; I156-Y538 HydrophobicContact CD1-CD1 3.8Å; I156-Y538 HydrophobicContact CD1-CE1 3.88Å; I156-Y538 HydrophobicContact CG2-CE1 4.25Å; I156-V539 HydrophobicContact CG2-CG2 4.47Å |
| 157 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y133 R134 G153 Y154 A155 L161 | Y133-A157 HydrophobicContact CD1-CB 3.54Å; Y133-A157 HydrophobicContact CE1-CB 3.77Å; R134-A157 HydrophobicContact CB-CB 3.94Å; R134-A157 HydrophobicContact CG-CB 4.33Å; G153-A157 WeakPolarHBondContact O-CB 3.27Å; G153-A157 PolarHBondContact O-N 2.91Å; G153-A157 VanDerWaalsContact O-N 3.11Å; Y154-A157 WeakPolarHBondContact O-CB 3.48Å; Y154-A157 PolarHBondContact O-N 3.28Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A155-A157 PolarHBondContact O-N 2.97Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.85Å |
| 158 | Y | 98.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -37.1 | 175.2 | -78.1 | -73.9 | 0 | 0 | 0 | 113.1 | R134 Y154 A155 I156 L160 L161 E162 D163 M166 I170 | R134-Y158 HydrophobicContact CG-CE1 4.45Å; R134-Y158 HydrophobicContact CG-CE2 4.28Å; R134-Y158 PolarHBondContact NH1-OH 3.34Å; Y154-Y158 HydrophobicContact CD1-CE2 4.44Å; Y154-Y158 HydrophobicContact CD2-CD2 4.43Å; Y154-Y158 HydrophobicContact CD2-CE2 4.06Å; Y154-Y158 AromaticContact CE1-CE2 3.88Å; Y154-Y158 HydrophobicContact CE1-CE2 3.88Å; Y154-Y158 HydrophobicContact CE2-CD2 4.19Å; Y154-Y158 AromaticContact CE2-CE2 3.4Å; Y154-Y158 HydrophobicContact CE2-CE2 3.4Å; Y154-Y158 VanDerWaalsContact CE2-CE2 3.4Å; Y154-Y158 AromaticContact CZ-CE2 3.33Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.19Å; Y154-Y158 PolarHBondContact O-N 3.32Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.34Å; Y154-Y158 PolarHBondContact OH-OH 3.26Å; A155-Y158 PolarHBondContact O-N 2.87Å; I156-Y158 PolarHBondContact O-N 3.42Å; Y158-L160 VanDerWaalsContact C-N 3.35Å; Y158-L160 PolarHBondContact O-N 3.02Å; Y158-L161 CarbonylContact O-C 3.5Å; Y158-L161 PolarHBondContact O-N 3.01Å; Y158-L161 VanDerWaalsContact O-N 3.15Å; Y158-E162 PolarHBondContact O-N 2.97Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; Y158-D163 HydrophobicContact CD1-CB 3.79Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.48Å; Y158-D163 PolarHBondContact O-N 3.39Å; Y158-M166 HydrophobicContact CD1-CB 3.83Å; Y158-M166 HydrophobicContact CD1-CG 3.83Å; Y158-M166 HydrophobicContact CD2-CB 4.29Å; Y158-M166 HydrophobicContact CD2-CG 3.65Å; Y158-M166 HydrophobicContact CE1-CB 4.11Å; Y158-M166 HydrophobicContact CE1-CG 3.74Å; Y158-M166 HydrophobicContact CE2-CG 3.51Å; Y158-M166 HydrophobicContact CG-CB 3.93Å; Y158-M166 HydrophobicContact CG-CG 3.78Å; Y158-I170 HydrophobicContact CD2-CD1 3.38Å; Y158-I170 HydrophobicContact CE2-CD1 3.66Å; Y158-I170 HydrophobicContact CG-CD1 4.43Å |
| 159 | H | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 176.6 | -177.3 | -168.6 | 0 | 0 | 0 | 111.5 | A155 I156 L161 E162 Y164 A167 Y195 E202 | A155-H159 WeakPolarHBondContact O-CB 3.34Å; A155-H159 PolarHBondContact O-N 3.5Å; I156-H159 PolarHBondContact O-N 3.15Å; H159-L161 VanDerWaalsContact C-N 3.26Å; H159-L161 PolarHBondContact O-N 3.12Å; H159-E162 PolarHBondContact O-N 3.15Å; H159-Y164 AromaticContact CD2-CD1 3.99Å; H159-Y164 AromaticContact CD2-CE1 3.66Å; H159-A167 HydrophobicContact CB-CB 4.13Å; H159-Y195 AromaticContact CE1-CE2 3.79Å; H159-Y195 AromaticContact ND1-CE2 3.41Å; H159-Y195 WeakPolarHBondContact ND1-CE2 3.39Å; H159-Y195 AromaticContact ND1-CZ 3.49Å; H159-Y195 PolarHBondContact ND1-OH 3.31Å; H159-E202 IonicContact NE2-OE1 3.39Å; H159-E202 IonicContact NE2-OE2 3.73Å; H159-E202 PolarHBondContact NE2-OE2 3.43Å |
| 160 | L | 97.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.3 | -23.2 | 176.9 | -66.3 | 173.6 | 0 | 0 | 0 | 113.3 | I125 L130 I156 Y158 V539 L542 | I125-L160 HydrophobicContact CD1-CD1 3.86Å; I125-L160 HydrophobicContact CG1-CD1 4.46Å; L130-L160 HydrophobicContact CD1-CB 4.06Å; L130-L160 WeakPolarHBondContact CD1-O 3.49Å; L130-L160 HydrophobicContact CD2-CB 4Å; L130-L160 HydrophobicContact CD2-CD1 4.01Å; I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.03Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.44Å; Y158-L160 VanDerWaalsContact C-N 3.35Å; Y158-L160 PolarHBondContact O-N 3.02Å; L160-V539 HydrophobicContact CD2-CG1 4.26Å; L160-L542 HydrophobicContact CD1-CD1 3.75Å; L160-L542 HydrophobicContact CD2-CD1 4.19Å |
| 161 | L | 97.8 | Very high | 96.9 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 27% | 0.272 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.5 | 170.9 | -72.5 | 166.6 | 0 | 0 | 0 | 112.7 | L130 E131 R134 A157 Y158 H159 D163 | L130-L161 HydrophobicContact CB-CD2 3.6Å; L130-L161 HydrophobicContact CB-CG 3.99Å; L130-L161 HydrophobicContact CD1-CD2 4.16Å; L130-L161 HydrophobicContact CD1-CG 4.5Å; E131-L161 HydrophobicContact CG-CD2 4.48Å; R134-L161 HydrophobicContact CB-CD1 4.15Å; R134-L161 HydrophobicContact CG-CD1 4.39Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.85Å; Y158-L161 CarbonylContact O-C 3.5Å; Y158-L161 PolarHBondContact O-N 3.01Å; Y158-L161 VanDerWaalsContact O-N 3.15Å; H159-L161 VanDerWaalsContact C-N 3.26Å; H159-L161 PolarHBondContact O-N 3.12Å; L161-D163 PolarHBondContact O-N 3.43Å; L161-D163 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 97.6 | Very high | 96.8 | Very high | 138 Ų | 138 | 37 Ų | 37 | 65% | 0.645 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.7 | -176.8 | -54.7 | -179.2 | -179.9 | 0 | 0 | 113.9 | Y158 H159 Y164 | Y158-E162 PolarHBondContact O-N 2.97Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; H159-E162 PolarHBondContact O-N 3.15Å; E162-Y164 HydrophobicContact CB-CE2 3.86Å; E162-Y164 HydrophobicContact CG-CE2 4.48Å; E162-Y164 WeakPolarHBondContact O-CD2 3.37Å; E162-Y164 WeakPolarHBondContact O-CE2 3.42Å; E162-Y164 PolarHBondContact O-N 3.37Å |
| 163 | D | 97.6 | Very high | 96.8 | Very high | 64 Ų | 64 | 42 Ų | 42 | 34% | 0.342 | 20% | 0.2 | S | C | . | . | trans | -85 | 74.5 | 168.1 | -175.5 | -13.4 | 0 | 0 | 0 | 108.8 | Y158 L161 E165 M166 A167 | Y158-D163 HydrophobicContact CD1-CB 3.79Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.48Å; Y158-D163 PolarHBondContact O-N 3.39Å; L161-D163 PolarHBondContact O-N 3.43Å; L161-D163 VanDerWaalsContact O-N 3.15Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.11Å; D163-M166 PolarHBondContact O-N 3.1Å; D163-M166 VanDerWaalsContact OD1-CB 3.31Å; D163-M166 WeakPolarHBondContact OD1-CB 3.38Å; D163-M166 PolarHBondContact OD1-N 3.43Å; D163-M166 VanDerWaalsContact OD1-N 3.07Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 3.28Å | ||
| 164 | Y | 97.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -30.6 | -174.8 | -58.1 | -73.3 | 0 | 0 | 0 | 112.9 | H159 E162 A168 V199 E202 A203 | H159-Y164 AromaticContact CD2-CD1 3.99Å; H159-Y164 AromaticContact CD2-CE1 3.66Å; E162-Y164 HydrophobicContact CB-CE2 3.86Å; E162-Y164 HydrophobicContact CG-CE2 4.48Å; E162-Y164 WeakPolarHBondContact O-CD2 3.37Å; E162-Y164 WeakPolarHBondContact O-CE2 3.42Å; E162-Y164 PolarHBondContact O-N 3.37Å; Y164-A168 VanDerWaalsContact O-CB 3.24Å; Y164-A168 WeakPolarHBondContact O-CB 3.22Å; Y164-A168 PolarHBondContact O-N 2.7Å; Y164-V199 HydrophobicContact CD1-CG1 4.25Å; Y164-E202 HydrophobicContact CD1-CB 4.01Å; Y164-E202 HydrophobicContact CE1-CB 3.43Å; Y164-E202 VanDerWaalsContact CE1-CB 3.43Å; Y164-E202 HydrophobicContact CE1-CG 4.48Å; Y164-A203 HydrophobicContact CD2-CB 4.45Å; Y164-A203 HydrophobicContact CG-CB 4.04Å |
| 165 | E | 94.6 | Very high | 96.4 | Very high | 139 Ų | 139 | 42.3 Ų | 42.3 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.7 | -48.5 | 178 | -69.1 | -170.7 | -166.4 | 0 | 0 | 111.4 | D163 K169 | D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.11Å; E165-K169 VanDerWaalsContact O-CG 3.3Å; E165-K169 WeakPolarHBondContact O-CG 3.41Å; E165-K169 PolarHBondContact O-N 3.39Å; E165-K169 VanDerWaalsContact O-N 3.08Å; E165-K169 IonicContact OE2-NZ 3.83Å |
| 166 | M | 96.4 | Very high | 96.1 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.3 | -41.4 | 179.1 | -170.2 | 64.6 | 81.2 | 0 | 0 | 111 | Y158 D163 A168 K169 I170 | Y158-M166 HydrophobicContact CD1-CB 3.83Å; Y158-M166 HydrophobicContact CD1-CG 3.83Å; Y158-M166 HydrophobicContact CD2-CB 4.29Å; Y158-M166 HydrophobicContact CD2-CG 3.65Å; Y158-M166 HydrophobicContact CE1-CB 4.11Å; Y158-M166 HydrophobicContact CE1-CG 3.74Å; Y158-M166 HydrophobicContact CE2-CG 3.51Å; Y158-M166 HydrophobicContact CG-CB 3.93Å; Y158-M166 HydrophobicContact CG-CG 3.78Å; D163-M166 PolarHBondContact O-N 3.1Å; D163-M166 VanDerWaalsContact OD1-CB 3.31Å; D163-M166 WeakPolarHBondContact OD1-CB 3.38Å; D163-M166 PolarHBondContact OD1-N 3.43Å; D163-M166 VanDerWaalsContact OD1-N 3.07Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.16Å; M166-K169 PolarHBondContact O-N 3.18Å; M166-I170 HydrophobicContact CG-CD1 3.84Å; M166-I170 HydrophobicContact CG-CG1 4.45Å; M166-I170 WeakPolarHBondContact O-CD1 3.27Å; M166-I170 VanDerWaalsContact O-CG1 3.28Å; M166-I170 WeakPolarHBondContact O-CG1 3.43Å; M166-I170 PolarHBondContact O-N 3.26Å |
| 167 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H159 D163 K169 I170 I171 V199 | H159-A167 HydrophobicContact CB-CB 4.13Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 3.28Å; A167-K169 PolarHBondContact O-N 3.17Å; A167-I170 PolarHBondContact O-N 3.09Å; A167-I171 WeakPolarHBondContact O-CD1 3.45Å; A167-I171 WeakPolarHBondContact O-CG1 3.42Å; A167-I171 PolarHBondContact O-N 2.71Å; A167-V199 HydrophobicContact CB-CG1 3.97Å |
| 168 | A | 94.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y164 M166 I171 E172 V199 L200 | Y164-A168 VanDerWaalsContact O-CB 3.24Å; Y164-A168 WeakPolarHBondContact O-CB 3.22Å; Y164-A168 PolarHBondContact O-N 2.7Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.16Å; A168-I171 PolarHBondContact O-N 3.47Å; A168-E172 VanDerWaalsContact O-CB 3.29Å; A168-E172 WeakPolarHBondContact O-CB 3.49Å; A168-E172 PolarHBondContact O-N 3.04Å; A168-V199 HydrophobicContact CB-CG1 4.3Å; A168-L200 HydrophobicContact CB-CD2 4.25Å |
| 169 | K | 95.6 | Very high | 93.3 | Very high | 113 Ų | 113 | 63.4 Ų | 63.4 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 176.1 | -74.4 | 167.4 | -174.2 | 159.3 | 0 | 111.8 | E165 M166 A167 I171 E172 E173 | E165-K169 VanDerWaalsContact O-CG 3.3Å; E165-K169 WeakPolarHBondContact O-CG 3.41Å; E165-K169 PolarHBondContact O-N 3.39Å; E165-K169 VanDerWaalsContact O-N 3.08Å; E165-K169 IonicContact OE2-NZ 3.83Å; M166-K169 PolarHBondContact O-N 3.18Å; A167-K169 PolarHBondContact O-N 3.17Å; K169-I171 PolarHBondContact O-N 2.96Å; K169-E172 PolarHBondContact O-N 3.34Å; K169-E173 WeakPolarHBondContact O-CG 3.08Å; K169-E173 PolarHBondContact O-N 3.34Å |
| 170 | I | 96.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.046 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | -179.9 | -64.2 | 160.4 | 0 | 0 | 0 | 110.8 | W151 Y154 A155 Y158 M166 A167 E173 F174 | W151-I170 HydrophobicContact CE3-CG2 3.99Å; Y154-I170 HydrophobicContact CD1-CD1 3.44Å; Y154-I170 VanDerWaalsContact CD1-CD1 3.44Å; Y154-I170 HydrophobicContact CD1-CG1 4.05Å; Y154-I170 HydrophobicContact CD1-CG2 4.19Å; Y154-I170 HydrophobicContact CE1-CD1 3.55Å; Y154-I170 HydrophobicContact CE1-CG1 4.17Å; Y154-I170 HydrophobicContact CG-CD1 4.16Å; A155-I170 HydrophobicContact CB-CB 4.35Å; A155-I170 HydrophobicContact CB-CG2 3.92Å; Y158-I170 HydrophobicContact CD2-CD1 3.38Å; Y158-I170 HydrophobicContact CE2-CD1 3.66Å; Y158-I170 HydrophobicContact CG-CD1 4.43Å; M166-I170 HydrophobicContact CG-CD1 3.84Å; M166-I170 HydrophobicContact CG-CG1 4.45Å; M166-I170 WeakPolarHBondContact O-CD1 3.27Å; M166-I170 VanDerWaalsContact O-CG1 3.28Å; M166-I170 WeakPolarHBondContact O-CG1 3.43Å; M166-I170 PolarHBondContact O-N 3.26Å; A167-I170 PolarHBondContact O-N 3.09Å; I170-E173 PolarHBondContact O-N 3.26Å; I170-F174 VanDerWaalsContact O-CB 3.28Å; I170-F174 WeakPolarHBondContact O-CB 3.43Å; I170-F174 PolarHBondContact O-N 3.33Å |
| 171 | I | 96.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 179.4 | -64.1 | 161.6 | 0 | 0 | 0 | 110.5 | A155 A167 A168 K169 F174 R175 L192 Y195 Q196 V199 | A155-I171 HydrophobicContact CB-CD1 4.25Å; A155-I171 HydrophobicContact CB-CG1 3.62Å; A167-I171 WeakPolarHBondContact O-CD1 3.45Å; A167-I171 WeakPolarHBondContact O-CG1 3.42Å; A167-I171 PolarHBondContact O-N 2.71Å; A168-I171 PolarHBondContact O-N 3.47Å; K169-I171 PolarHBondContact O-N 2.96Å; I171-F174 PolarHBondContact O-N 3.29Å; I171-R175 VanDerWaalsContact O-CB 3.28Å; I171-R175 WeakPolarHBondContact O-CB 3.36Å; I171-R175 PolarHBondContact O-N 2.85Å; I171-L192 HydrophobicContact CG2-CD1 4.06Å; I171-Y195 HydrophobicContact CD1-CD1 3.84Å; I171-Y195 HydrophobicContact CD1-CE1 3.42Å; I171-Y195 VanDerWaalsContact CD1-CE1 3.42Å; I171-Y195 HydrophobicContact CG1-CD1 4.44Å; I171-Y195 HydrophobicContact CG1-CE1 4.08Å; I171-Q196 HydrophobicContact CB-CG 4.41Å; I171-Q196 HydrophobicContact CG2-CB 3.59Å; I171-Q196 HydrophobicContact CG2-CG 3.69Å; I171-V199 HydrophobicContact CD1-CB 4.37Å; I171-V199 HydrophobicContact CD1-CG2 3.85Å |
| 172 | E | 94.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 178.4 | 176.7 | 56.3 | -162.3 | 0 | 0 | 112.2 | A168 K169 R175 K176 Q196 | A168-E172 VanDerWaalsContact O-CB 3.29Å; A168-E172 WeakPolarHBondContact O-CB 3.49Å; A168-E172 PolarHBondContact O-N 3.04Å; K169-E172 PolarHBondContact O-N 3.34Å; E172-R175 VanDerWaalsContact CD-NH2 3.29Å; E172-R175 PolarHBondContact O-N 3.21Å; E172-R175 IonicContact OE1-CZ 3.02Å; E172-R175 IonicContact OE1-NE 3.58Å; E172-R175 IonicContact OE1-NH2 2.72Å; E172-R175 PolarHBondContact OE1-NH2 3.4Å; E172-R175 IonicContact OE2-CZ 3.38Å; E172-R175 IonicContact OE2-NE 3.68Å; E172-R175 PolarHBondContact OE2-NE 3.02Å; E172-R175 IonicContact OE2-NH2 3.32Å; E172-R175 PolarHBondContact OE2-NH2 3.17Å; E172-R175 VanDerWaalsContact OE2-NH2 3.07Å; E172-K176 WeakPolarHBondContact O-CG 3.4Å; E172-K176 PolarHBondContact O-N 2.85Å; E172-K176 VanDerWaalsContact O-N 3.08Å; E172-K176 WeakPolarHBondContact OE1-CE 3.5Å; E172-K176 IonicContact OE1-NZ 3.63Å; E172-Q196 PolarHBondContact OE2-NE2 3.14Å |
| 173 | E | 94.3 | Very high | 86.8 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 173.2 | -74.4 | -177.7 | 179.4 | 0 | 0 | 111.4 | W151 K169 I170 R175 K176 T177 | W151-E173 HydrophobicContact CH2-CB 4.43Å; W151-E173 HydrophobicContact CZ3-CB 3.93Å; K169-E173 WeakPolarHBondContact O-CG 3.08Å; K169-E173 PolarHBondContact O-N 3.34Å; I170-E173 PolarHBondContact O-N 3.26Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 3.34Å; E173-K176 WeakPolarHBondContact O-CB 3.37Å; E173-K176 PolarHBondContact O-N 3.17Å; E173-T177 WeakPolarHBondContact O-CG2 3.41Å; E173-T177 PolarHBondContact O-N 3.46Å |
| 174 | F | 93.8 | Very high | 85.8 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.4 | 177.7 | -122.3 | 0 | 0 | 0 | 112 | R148 W151 I152 I170 I171 K176 T177 Q178 L192 M533 | R148-F174 HydrophobicContact CB-CE2 4.05Å; R148-F174 HydrophobicContact CB-CZ 3.72Å; R148-F174 HydrophobicContact CG-CE2 3.99Å; R148-F174 HydrophobicContact CG-CZ 3.81Å; W151-F174 HydrophobicContact CB-CB 3.95Å; W151-F174 HydrophobicContact CB-CD1 4.24Å; W151-F174 HydrophobicContact CB-CD2 3.37Å; W151-F174 HydrophobicContact CB-CE2 3.88Å; W151-F174 HydrophobicContact CB-CG 3.58Å; W151-F174 AromaticContact CD1-CD2 3.58Å; W151-F174 AromaticContact CD1-CE2 3.9Å; W151-F174 HydrophobicContact CD2-CB 3.98Å; W151-F174 AromaticContact CD2-CD2 3.84Å; W151-F174 HydrophobicContact CD2-CD2 3.84Å; W151-F174 HydrophobicContact CD2-CG 4.27Å; W151-F174 HydrophobicContact CE3-CB 3.79Å; W151-F174 HydrophobicContact CG-CB 4.08Å; W151-F174 AromaticContact CG-CD2 3.29Å; W151-F174 HydrophobicContact CG-CD2 3.29Å; W151-F174 AromaticContact CG-CE2 3.94Å; W151-F174 HydrophobicContact CG-CE2 3.94Å; W151-F174 AromaticContact CG-CG 3.87Å; W151-F174 HydrophobicContact CG-CG 3.87Å; I152-F174 HydrophobicContact CD1-CE1 4.32Å; I152-F174 HydrophobicContact CD1-CZ 4.39Å; I152-F174 HydrophobicContact CG1-CE1 3.95Å; I152-F174 HydrophobicContact CG1-CZ 4.34Å; I170-F174 VanDerWaalsContact O-CB 3.28Å; I170-F174 WeakPolarHBondContact O-CB 3.43Å; I170-F174 PolarHBondContact O-N 3.33Å; I171-F174 PolarHBondContact O-N 3.29Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.1Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.69Å; F174-T177 PolarHBondContact O-OG1 3.02Å; F174-Q178 HydrophobicContact CE1-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CG 4.33Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.26Å; F174-Q178 PolarHBondContact O-N 3.13Å; F174-L192 HydrophobicContact CD1-CD1 4.08Å; F174-L192 HydrophobicContact CD1-CD2 3.89Å; F174-L192 HydrophobicContact CE1-CD1 4.19Å; F174-L192 HydrophobicContact CE1-CD2 3.8Å; F174-M533 HydrophobicContact CE1-CE 4.16Å |
| 175 | R | 92.4 | Very high | 84.8 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.7 | -176 | -168.2 | 68.8 | 101.6 | -6.6 | 111.6 | I171 E172 E173 T177 Q178 Y189 L193 Q196 Y216 | I171-R175 VanDerWaalsContact O-CB 3.28Å; I171-R175 WeakPolarHBondContact O-CB 3.36Å; I171-R175 PolarHBondContact O-N 2.85Å; E172-R175 VanDerWaalsContact CD-NH2 3.29Å; E172-R175 PolarHBondContact O-N 3.21Å; E172-R175 IonicContact OE1-CZ 3.02Å; E172-R175 IonicContact OE1-NE 3.58Å; E172-R175 IonicContact OE1-NH2 2.72Å; E172-R175 PolarHBondContact OE1-NH2 3.4Å; E172-R175 IonicContact OE2-CZ 3.38Å; E172-R175 IonicContact OE2-NE 3.68Å; E172-R175 PolarHBondContact OE2-NE 3.02Å; E172-R175 IonicContact OE2-NH2 3.32Å; E172-R175 PolarHBondContact OE2-NH2 3.17Å; E172-R175 VanDerWaalsContact OE2-NH2 3.07Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 3.34Å; R175-T177 PolarHBondContact O-N 3.42Å; R175-Q178 WeakPolarHBondContact O-CB 3.39Å; R175-Q178 PolarHBondContact O-N 2.97Å; R175-Y189 HydrophobicContact CG-CE2 3.9Å; R175-L193 HydrophobicContact CG-CD2 4.49Å; R175-Q196 VanDerWaalsContact CD-OE1 3.27Å; R175-Y216 VanDerWaalsContact CZ-OH 3.29Å; R175-Y216 PolarHBondContact NH1-OH 3.3Å; R175-Y216 PolarHBondContact NH2-OH 3.26Å; R175-Y216 VanDerWaalsContact NH2-OH 3.09Å |
| 176 | K | 90.9 | Very high | 84.6 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 64% | 0.635 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.9 | -26.9 | 175.1 | -70.6 | 172.5 | -171.5 | 172.7 | 0 | 113 | E172 E173 F174 | E172-K176 WeakPolarHBondContact O-CG 3.4Å; E172-K176 PolarHBondContact O-N 2.85Å; E172-K176 VanDerWaalsContact O-N 3.08Å; E172-K176 WeakPolarHBondContact OE1-CE 3.5Å; E172-K176 IonicContact OE1-NZ 3.63Å; E173-K176 WeakPolarHBondContact O-CB 3.37Å; E173-K176 PolarHBondContact O-N 3.17Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.1Å |
| 177 | T | 87.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.4 | -20.5 | 174 | 75 | 0 | 0 | 0 | 0 | 113.4 | E173 F174 R175 Q179 | E173-T177 WeakPolarHBondContact O-CG2 3.41Å; E173-T177 PolarHBondContact O-N 3.46Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.69Å; F174-T177 PolarHBondContact O-OG1 3.02Å; R175-T177 PolarHBondContact O-N 3.42Å; T177-Q179 PolarHBondContact O-N 3.37Å |
| 178 | Q | 80.8 | Confident | 84.3 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | trans | -80.3 | 107.3 | 177 | -58.3 | -54.8 | -55.8 | 0 | 0 | 109.1 | F174 R175 T180 Y189 L192 | F174-Q178 HydrophobicContact CE1-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CG 4.33Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.26Å; F174-Q178 PolarHBondContact O-N 3.13Å; R175-Q178 WeakPolarHBondContact O-CB 3.39Å; R175-Q178 PolarHBondContact O-N 2.97Å; Q178-T180 PolarHBondContact O-N 3Å; Q178-Y189 HydrophobicContact CB-CD2 4.07Å; Q178-Y189 HydrophobicContact CB-CE2 3.92Å; Q178-L192 HydrophobicContact CG-CD2 4.23Å | ||
| 179 | Q | 67.3 | Low | 84.2 | Confident | 192 Ų | 192 | 74.9 Ų | 74.9 | 90% | 0.897 | 37% | 0.372 | S | S | * | . | trans | -83.4 | 113.5 | 171.1 | -70.5 | -177.2 | -2.1 | 0 | 0 | 109.1 | T177 | T177-Q179 PolarHBondContact O-N 3.37Š| ||
| 180 | T | 66.5 | Low | 84.2 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | trans | -133.3 | 140.4 | 174.8 | -47.4 | 0 | 0 | 0 | 0 | 108.9 | Q178 D186 Y189 | Q178-T180 PolarHBondContact O-N 3Å; T180-D186 HydrophobicContact CG2-CB 4.3Å; T180-Y189 HydrophobicContact CG2-CD1 4.4Å | ||
| 181 | S | 61.2 | Low | 84.1 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | trans | -63.7 | 131.8 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | D183 K184 | S181-D183 PolarHBondContact O-N 2.96Å; S181-D183 PolarHBondContact OG-N 3.46Å; S181-K184 PolarHBondContact O-N 2.97Å; S181-K184 VanDerWaalsContact O-N 3.09Å | ||
| 182 | P | 66.8 | Low | 84.1 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24 | 177.6 | -22.4 | 32 | 0 | 0 | 0 | 113.5 | Q219 | P182-Q219 WeakPolarHBondContact O-CG 3.37Š|
| 183 | D | 61.2 | Low | 84.2 | Confident | 155 Ų | 155 | 67.1 Ų | 67.1 | 83% | 0.829 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.6 | -174.8 | -57.7 | -41.7 | 0 | 0 | 0 | 113.4 | S181 | S181-D183 PolarHBondContact O-N 2.96Å; S181-D183 PolarHBondContact OG-N 3.46Å |
| 184 | K | 75 | Confident | 84.4 | Confident | 130 Ų | 130 | 62.1 Ų | 62.1 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | trans | -107 | 119.6 | 177 | -172.7 | -175.2 | 175.9 | -165.7 | 0 | 109.9 | S181 D186 | S181-K184 PolarHBondContact O-N 2.97Å; S181-K184 VanDerWaalsContact O-N 3.09Å; K184-D186 PolarHBondContact O-N 3.13Å | ||
| 185 | V | 78 | Confident | 84.6 | Confident | 70 Ų | 70 | 62 Ų | 62 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | trans | -80.7 | 108.7 | 171.6 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | K218 C221 | V185-K218 WeakPolarHBondContact CG2-O 3.44Å; V185-C221 HydrophobicContact CG1-CB 3.51Å | ||
| 186 | D | 90.1 | Very high | 84.8 | Confident | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | trans | -101.5 | 130 | 172.2 | -172.4 | 103.9 | 0 | 0 | 0 | 109.3 | T180 K184 E188 Y189 S190 | T180-D186 HydrophobicContact CG2-CB 4.3Å; K184-D186 PolarHBondContact O-N 3.13Å; D186-E188 WeakPolarHBondContact OD2-CB 3.49Å; D186-E188 PolarHBondContact OD2-N 2.86Å; D186-Y189 PolarHBondContact O-N 3.48Å; D186-Y189 PolarHBondContact OD2-N 3.45Å; D186-S190 VanDerWaalsContact O-CB 3.24Å; D186-S190 WeakPolarHBondContact O-CB 2.97Å; D186-S190 PolarHBondContact O-N 3.1Å | ||
| 187 | Y | 93.4 | Very high | 85.2 | Confident | 122 Ų | 122 | 54.1 Ų | 54.1 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -176.3 | 175.9 | -95.6 | 0 | 0 | 0 | 112.5 | Y189 S190 E191 T534 | Y187-Y189 VanDerWaalsContact C-N 3.31Å; Y187-Y189 PolarHBondContact O-N 3.37Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 2.84Å; Y187-E191 HydrophobicContact CE1-CG 4.01Å; Y187-E191 HydrophobicContact CE2-CG 4.24Å; Y187-E191 PolarHBondContact O-N 3.02Å; Y187-T534 HydrophobicContact CE1-CG2 4.11Å |
| 188 | E | 92.6 | Very high | 85.7 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | -178.1 | -70.9 | -171 | 177.3 | 0 | 0 | 110.9 | R148 D186 L192 M533 | R148-E188 IonicContact CZ-OE2 3.1Å; R148-E188 IonicContact NH1-OE2 3.3Å; R148-E188 PolarHBondContact NH1-OE2 2.98Å; R148-E188 IonicContact NH2-OE2 3.97Å; R148-E188 PolarHBondContact NH2-OE2 2.88Å; D186-E188 WeakPolarHBondContact OD2-CB 3.49Å; D186-E188 PolarHBondContact OD2-N 2.86Å; E188-L192 PolarHBondContact O-N 3.09Å; E188-L192 VanDerWaalsContact O-N 3.15Å; E188-M533 HydrophobicContact CB-CB 3.78Å; E188-M533 HydrophobicContact CB-CG 3.79Å; E188-M533 HydrophobicContact CG-CB 3.95Å; E188-M533 HydrophobicContact CG-CG 3.97Å |
| 189 | Y | 93.4 | Very high | 86.5 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.9 | -39.5 | 175.5 | -171 | -111.3 | 0 | 0 | 0 | 112.3 | R175 Q178 T180 D186 Y187 E191 L192 L193 Q219 | R175-Y189 HydrophobicContact CG-CE2 3.9Å; Q178-Y189 HydrophobicContact CB-CD2 4.07Å; Q178-Y189 HydrophobicContact CB-CE2 3.92Å; T180-Y189 HydrophobicContact CG2-CD1 4.4Å; D186-Y189 PolarHBondContact O-N 3.48Å; D186-Y189 PolarHBondContact OD2-N 3.45Å; Y187-Y189 VanDerWaalsContact C-N 3.31Å; Y187-Y189 PolarHBondContact O-N 3.37Å; Y189-E191 VanDerWaalsContact C-N 3.35Å; Y189-E191 PolarHBondContact O-N 2.6Å; Y189-L192 HydrophobicContact CD2-CD2 4.36Å; Y189-L192 WeakPolarHBondContact O-CB 3.44Å; Y189-L192 PolarHBondContact O-N 3.26Å; Y189-L193 HydrophobicContact CD1-CD1 3.76Å; Y189-L193 HydrophobicContact CD1-CG 4.3Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.26Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 WeakPolarHBondContact O-CG 3.42Å; Y189-L193 PolarHBondContact O-N 2.89Å; Y189-Q219 HydrophobicContact CE1-CB 4.45Å; Y189-Q219 VanDerWaalsContact CE1-OE1 3.28Å |
| 190 | S | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 172.9 | 173 | 0 | 0 | 0 | 0 | 111.8 | D186 Y187 L193 L194 I220 C221 | D186-S190 VanDerWaalsContact O-CB 3.24Å; D186-S190 WeakPolarHBondContact O-CB 2.97Å; D186-S190 PolarHBondContact O-N 3.1Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 2.84Å; S190-L193 PolarHBondContact O-N 3.42Å; S190-L194 PolarHBondContact O-N 3.46Å; S190-L194 VanDerWaalsContact O-N 3.1Å; S190-I220 WeakPolarHBondContact OG-CA 3.26Å; S190-C221 PolarHBondContact OG-N 2.93Å; S190-C221 PolarHBondContact OG-SG 3.32Å; S190-C221 VanDerWaalsContact OG-SG 3.35Å |
| 191 | E | 96.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.2 | -80.8 | -57.2 | 123.5 | 0 | 0 | 112.7 | Y187 Y189 L193 L194 Y195 M533 R536 | Y187-E191 HydrophobicContact CE1-CG 4.01Å; Y187-E191 HydrophobicContact CE2-CG 4.24Å; Y187-E191 PolarHBondContact O-N 3.02Å; Y189-E191 VanDerWaalsContact C-N 3.35Å; Y189-E191 PolarHBondContact O-N 2.6Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.07Å; E191-L194 PolarHBondContact O-N 3.26Å; E191-Y195 VanDerWaalsContact O-CB 3.31Å; E191-Y195 WeakPolarHBondContact O-CB 3.47Å; E191-Y195 PolarHBondContact O-N 3.4Å; E191-M533 WeakPolarHBondContact CB-O 3.29Å; E191-R536 IonicContact OE1-CZ 3.98Å; E191-R536 IonicContact OE1-NE 3.14Å; E191-R536 IonicContact OE1-NH2 3.73Å; E191-R536 PolarHBondContact OE1-NH2 3.39Å; E191-R536 IonicContact OE2-CZ 2.8Å; E191-R536 IonicContact OE2-NE 2.79Å; E191-R536 PolarHBondContact OE2-NE 3.06Å; E191-R536 IonicContact OE2-NH2 3.7Å; E191-R536 PolarHBondContact OE2-NH2 3.44Å |
| 192 | L | 95.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 175.1 | 178.5 | 62.4 | 0 | 0 | 0 | 111.6 | I171 F174 Q178 E188 Y189 Y195 Q196 M533 L535 | I171-L192 HydrophobicContact CG2-CD1 4.06Å; F174-L192 HydrophobicContact CD1-CD1 4.08Å; F174-L192 HydrophobicContact CD1-CD2 3.89Å; F174-L192 HydrophobicContact CE1-CD1 4.19Å; F174-L192 HydrophobicContact CE1-CD2 3.8Å; Q178-L192 HydrophobicContact CG-CD2 4.23Å; E188-L192 PolarHBondContact O-N 3.09Å; E188-L192 VanDerWaalsContact O-N 3.15Å; Y189-L192 HydrophobicContact CD2-CD2 4.36Å; Y189-L192 WeakPolarHBondContact O-CB 3.44Å; Y189-L192 PolarHBondContact O-N 3.26Å; L192-Y195 PolarHBondContact O-N 3.23Å; L192-Q196 PolarHBondContact O-N 2.86Å; L192-M533 HydrophobicContact CB-CE 3.9Å; L192-M533 HydrophobicContact CD1-CE 4.11Å; L192-M533 HydrophobicContact CD2-CE 4.24Å; L192-M533 HydrophobicContact CG-CE 4.31Å; L192-L535 HydrophobicContact CD1-CD1 4.14Å |
| 193 | L | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.4 | -70.3 | 168.5 | 0 | 0 | 0 | 111.8 | R175 Y189 S190 E191 Q196 N197 H212 Y216 Q219 I220 | R175-L193 HydrophobicContact CG-CD2 4.49Å; Y189-L193 HydrophobicContact CD1-CD1 3.76Å; Y189-L193 HydrophobicContact CD1-CG 4.3Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.26Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 WeakPolarHBondContact O-CG 3.42Å; Y189-L193 PolarHBondContact O-N 2.89Å; S190-L193 PolarHBondContact O-N 3.42Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 3.12Å; L193-N197 WeakPolarHBondContact O-CB 3.34Å; L193-N197 PolarHBondContact O-N 3.04Å; L193-H212 PolarHBondContact O-CE1 3.43Å; L193-H212 VanDerWaalsContact O-CE1 3.28Å; L193-Y216 HydrophobicContact CD1-CG 4.44Å; L193-Y216 HydrophobicContact CD2-CD1 4.21Å; L193-Y216 HydrophobicContact CD2-CD2 3.98Å; L193-Y216 HydrophobicContact CD2-CG 3.77Å; L193-Q219 HydrophobicContact CD1-CB 4.06Å; L193-I220 HydrophobicContact CB-CD1 4.19Å; L193-I220 HydrophobicContact CB-CG1 4.09Å; L193-I220 HydrophobicContact CD1-CG1 3.9Å |
| 194 | L | 98.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.7 | -34.5 | 177.3 | -70.9 | 172.3 | 0 | 0 | 0 | 112 | S190 E191 N197 Q198 L213 I220 D222 A225 V226 R536 | S190-L194 PolarHBondContact O-N 3.46Å; S190-L194 VanDerWaalsContact O-N 3.1Å; E191-L194 PolarHBondContact O-N 3.26Å; L194-N197 PolarHBondContact O-N 2.9Å; L194-Q198 WeakPolarHBondContact O-CB 3.27Å; L194-Q198 PolarHBondContact O-N 2.69Å; L194-L213 HydrophobicContact CD2-CD1 4.29Å; L194-I220 HydrophobicContact CD1-CG2 3.63Å; L194-I220 HydrophobicContact CD2-CD1 4.04Å; L194-I220 HydrophobicContact CD2-CG2 4.01Å; L194-I220 HydrophobicContact CG-CD1 4.3Å; L194-I220 HydrophobicContact CG-CG2 3.83Å; L194-D222 HydrophobicContact CD1-CB 3.86Å; L194-A225 HydrophobicContact CD1-CB 4.16Å; L194-A225 HydrophobicContact CD2-CB 4.44Å; L194-V226 HydrophobicContact CD2-CG2 4.47Å; L194-R536 VanDerWaalsContact CD1-CZ 3.48Å; L194-R536 VanDerWaalsContact CD1-NH2 3.29Å |
| 195 | Y | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 172.5 | 176.6 | -111.4 | 0 | 0 | 0 | 112 | I156 H159 I171 E191 L192 N197 Q198 V199 L535 R536 V539 | I156-Y195 WeakPolarHBondContact CG1-OH 3.47Å; H159-Y195 AromaticContact CE1-CE2 3.79Å; H159-Y195 AromaticContact ND1-CE2 3.41Å; H159-Y195 WeakPolarHBondContact ND1-CE2 3.39Å; H159-Y195 AromaticContact ND1-CZ 3.49Å; H159-Y195 PolarHBondContact ND1-OH 3.31Å; I171-Y195 HydrophobicContact CD1-CD1 3.84Å; I171-Y195 HydrophobicContact CD1-CE1 3.42Å; I171-Y195 VanDerWaalsContact CD1-CE1 3.42Å; I171-Y195 HydrophobicContact CG1-CD1 4.44Å; I171-Y195 HydrophobicContact CG1-CE1 4.08Å; E191-Y195 VanDerWaalsContact O-CB 3.31Å; E191-Y195 WeakPolarHBondContact O-CB 3.47Å; E191-Y195 PolarHBondContact O-N 3.4Å; L192-Y195 PolarHBondContact O-N 3.23Å; Y195-N197 VanDerWaalsContact C-N 3.28Å; Y195-N197 PolarHBondContact O-N 3.04Å; Y195-Q198 WeakPolarHBondContact O-CB 3.49Å; Y195-Q198 PolarHBondContact O-N 3.35Å; Y195-V199 HydrophobicContact CE1-CG2 4.39Å; Y195-V199 HydrophobicContact CE2-CG2 4.28Å; Y195-V199 WeakPolarHBondContact O-CG2 3.42Å; Y195-V199 PolarHBondContact O-N 3.26Å; Y195-L535 HydrophobicContact CD1-CB 4.05Å; Y195-L535 HydrophobicContact CD1-CD1 3.59Å; Y195-L535 HydrophobicContact CD1-CG 4.48Å; Y195-L535 HydrophobicContact CD2-CB 3.73Å; Y195-L535 HydrophobicContact CE1-CB 4.5Å; Y195-L535 HydrophobicContact CE1-CD1 4.04Å; Y195-L535 HydrophobicContact CE2-CB 4.21Å; Y195-L535 HydrophobicContact CG-CB 3.63Å; Y195-L535 HydrophobicContact CG-CD1 4Å; Y195-L535 HydrophobicContact CG-CG 4.45Å; Y195-R536 HydrophobicContact CD2-CG 4.37Å; Y195-V539 HydrophobicContact CE2-CG2 3.95Å |
| 196 | Q | 97.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 172.4 | -172.5 | 173.4 | -2 | 0 | 0 | 111 | I171 E172 R175 L192 L193 Q198 V199 L200 H212 | I171-Q196 HydrophobicContact CB-CG 4.41Å; I171-Q196 HydrophobicContact CG2-CB 3.59Å; I171-Q196 HydrophobicContact CG2-CG 3.69Å; E172-Q196 PolarHBondContact OE2-NE2 3.14Å; R175-Q196 VanDerWaalsContact CD-OE1 3.27Å; L192-Q196 PolarHBondContact O-N 2.86Å; L193-Q196 PolarHBondContact O-N 3.12Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q196-Q198 PolarHBondContact O-N 3.16Å; Q196-V199 PolarHBondContact O-N 3.22Å; Q196-L200 WeakPolarHBondContact O-CG 3.09Å; Q196-L200 PolarHBondContact O-N 3.32Å; Q196-H212 PolarHBondContact OE1-NE2 3.33Å |
| 197 | N | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.2 | -161.5 | -95.9 | 0 | 0 | 0 | 112.3 | L193 L194 Y195 L200 R201 A209 H212 T229 | L193-N197 WeakPolarHBondContact O-CB 3.34Å; L193-N197 PolarHBondContact O-N 3.04Å; L194-N197 PolarHBondContact O-N 2.9Å; Y195-N197 VanDerWaalsContact C-N 3.28Å; Y195-N197 PolarHBondContact O-N 3.04Å; N197-L200 PolarHBondContact O-N 2.98Å; N197-R201 WeakPolarHBondContact O-CG 3.31Å; N197-R201 PolarHBondContact O-N 3.11Å; N197-A209 PolarHBondContact ND2-O 3.21Å; N197-H212 PolarHBondContact ND2-ND1 3.07Å; N197-T229 WeakPolarHBondContact OD1-CG2 3.42Å |
| 198 | Q | 98.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 173.1 | 176.9 | 177.2 | -24 | 0 | 0 | 111.8 | L194 Y195 Q196 L200 R201 E202 R536 | L194-Q198 WeakPolarHBondContact O-CB 3.27Å; L194-Q198 PolarHBondContact O-N 2.69Å; Y195-Q198 WeakPolarHBondContact O-CB 3.49Å; Y195-Q198 PolarHBondContact O-N 3.35Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q196-Q198 PolarHBondContact O-N 3.16Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.3Å; Q198-R201 WeakPolarHBondContact O-CB 3.48Å; Q198-R201 PolarHBondContact O-N 3.21Å; Q198-R201 VanDerWaalsContact O-N 3.08Å; Q198-E202 HydrophobicContact CG-CG 4.35Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.21Å; Q198-E202 PolarHBondContact NE2-OE1 3.22Å; Q198-E202 WeakPolarHBondContact O-CG 3.37Å; Q198-E202 PolarHBondContact O-N 3.06Å; Q198-R536 VanDerWaalsContact OE1-CG 3.32Å |
| 199 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | Y164 A167 A168 I171 Y195 Q196 R201 E202 A203 | Y164-V199 HydrophobicContact CD1-CG1 4.25Å; A167-V199 HydrophobicContact CB-CG1 3.97Å; A168-V199 HydrophobicContact CB-CG1 4.3Å; I171-V199 HydrophobicContact CD1-CB 4.37Å; I171-V199 HydrophobicContact CD1-CG2 3.85Å; Y195-V199 HydrophobicContact CE1-CG2 4.39Å; Y195-V199 HydrophobicContact CE2-CG2 4.28Å; Y195-V199 WeakPolarHBondContact O-CG2 3.42Å; Y195-V199 PolarHBondContact O-N 3.26Å; Q196-V199 PolarHBondContact O-N 3.22Å; V199-R201 VanDerWaalsContact C-N 3.31Å; V199-R201 PolarHBondContact O-N 3.45Å; V199-E202 PolarHBondContact O-N 3.39Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.83Å |
| 200 | L | 97.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 175.4 | -66.5 | 171.2 | 0 | 0 | 0 | 112.5 | A168 Q196 N197 Q198 G204 L205 A209 H212 | A168-L200 HydrophobicContact CB-CD2 4.25Å; Q196-L200 WeakPolarHBondContact O-CG 3.09Å; Q196-L200 PolarHBondContact O-N 3.32Å; N197-L200 PolarHBondContact O-N 2.98Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.3Å; L200-G204 PolarHBondContact O-N 3.28Å; L200-L205 HydrophobicContact CD2-CD1 4.09Å; L200-L205 PolarHBondContact O-N 3.4Å; L200-A209 HydrophobicContact CB-CB 3.95Å; L200-H212 HydrophobicContact CD1-CB 4.14Å |
| 201 | R | 97.6 | Very high | 97.3 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 176.5 | -72.2 | -172.5 | -59.7 | 163.6 | -3.3 | 112.6 | N197 Q198 V199 A203 G204 Y206 A209 T229 E232 L233 | N197-R201 WeakPolarHBondContact O-CG 3.31Å; N197-R201 PolarHBondContact O-N 3.11Å; Q198-R201 WeakPolarHBondContact O-CB 3.48Å; Q198-R201 PolarHBondContact O-N 3.21Å; Q198-R201 VanDerWaalsContact O-N 3.08Å; V199-R201 VanDerWaalsContact C-N 3.31Å; V199-R201 PolarHBondContact O-N 3.45Å; R201-A203 PolarHBondContact O-N 3.18Å; R201-G204 PolarHBondContact O-N 2.89Å; R201-Y206 WeakPolarHBondContact O-CE1 3.39Å; R201-A209 HydrophobicContact CG-CB 3.9Å; R201-T229 PolarHBondContact NH1-OG1 3.39Å; R201-E232 IonicContact NH1-OE2 2.82Å; R201-E232 PolarHBondContact NH1-OE2 2.8Å; R201-L233 HydrophobicContact CG-CD2 3.95Å |
| 202 | E | 97.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 29% | 0.29 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -33.3 | 175.9 | -67.4 | -170.4 | -153.1 | 0 | 0 | 110.8 | H159 Y164 Q198 V199 G204 K543 | H159-E202 IonicContact NE2-OE1 3.39Å; H159-E202 IonicContact NE2-OE2 3.73Å; H159-E202 PolarHBondContact NE2-OE2 3.43Å; Y164-E202 HydrophobicContact CD1-CB 4.01Å; Y164-E202 HydrophobicContact CE1-CB 3.43Å; Y164-E202 VanDerWaalsContact CE1-CB 3.43Å; Y164-E202 HydrophobicContact CE1-CG 4.48Å; Q198-E202 HydrophobicContact CG-CG 4.35Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.21Å; Q198-E202 PolarHBondContact NE2-OE1 3.22Å; Q198-E202 WeakPolarHBondContact O-CG 3.37Å; Q198-E202 PolarHBondContact O-N 3.06Å; V199-E202 PolarHBondContact O-N 3.39Å; E202-G204 PolarHBondContact O-N 3.13Å; E202-K543 VanDerWaalsContact CD-NZ 3.29Å; E202-K543 IonicContact OE1-NZ 3.7Å; E202-K543 PolarHBondContact OE1-NZ 3.39Å; E202-K543 IonicContact OE2-NZ 3.8Å; E202-K543 PolarHBondContact OE2-NZ 2.85Å |
| 203 | A | 96 | Very high | 97.5 | Very high | 38 Ų | 38 | 34 Ų | 34 | 31% | 0.314 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y164 V199 R201 L205 | Y164-A203 HydrophobicContact CD2-CB 4.45Å; Y164-A203 HydrophobicContact CG-CB 4.04Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.83Å; R201-A203 PolarHBondContact O-N 3.18Å; A203-L205 VanDerWaalsContact C-N 3.29Å; A203-L205 HydrophobicContact CB-CD1 4.19Å; A203-L205 HydrophobicContact CB-CG 4.04Å; A203-L205 PolarHBondContact O-N 3.45Å |
| 204 | G | 96.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | L200 R201 E202 Y206 | L200-G204 PolarHBondContact O-N 3.28Å; R201-G204 PolarHBondContact O-N 2.89Å; E202-G204 PolarHBondContact O-N 3.13Å; G204-Y206 PolarHBondContact O-N 3.05Å |
| 205 | L | 96.7 | Very high | 97.3 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | trans | -81.8 | 58.7 | 179.4 | -60.1 | 176.1 | 0 | 0 | 0 | 111.2 | L200 A203 K207 E208 A209 | L200-L205 HydrophobicContact CD2-CD1 4.09Å; L200-L205 PolarHBondContact O-N 3.4Å; A203-L205 VanDerWaalsContact C-N 3.29Å; A203-L205 HydrophobicContact CB-CD1 4.19Å; A203-L205 HydrophobicContact CB-CG 4.04Å; A203-L205 PolarHBondContact O-N 3.45Å; L205-K207 PolarHBondContact O-N 2.9Å; L205-E208 HydrophobicContact CB-CB 4.27Å; L205-E208 PolarHBondContact O-N 3.25Å; L205-A209 WeakPolarHBondContact O-CB 3.41Å; L205-A209 PolarHBondContact O-N 2.89Å | ||
| 206 | Y | 97.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 29% | 0.286 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -36.4 | -169.1 | -57.4 | -49.8 | 0 | 0 | 0 | 114.2 | R201 G204 A209 L210 L233 K236 | R201-Y206 WeakPolarHBondContact O-CE1 3.39Å; G204-Y206 PolarHBondContact O-N 3.05Å; Y206-A209 PolarHBondContact O-N 3.44Å; Y206-L210 PolarHBondContact O-N 2.77Å; Y206-L233 HydrophobicContact CD1-CD2 3.82Å; Y206-L233 HydrophobicContact CG-CD2 4.3Å; Y206-K236 HydrophobicContact CD2-CB 4.06Å; Y206-K236 HydrophobicContact CE2-CB 4.35Å; Y206-K236 HydrophobicContact CE2-CD 4.26Å; Y206-K236 HydrophobicContact CG-CB 4.17Å |
| 207 | K | 97.4 | Very high | 97 | Very high | 145 Ų | 145 | 46.3 Ų | 46.3 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -66.1 | -48.1 | 177.7 | -174.4 | 179.6 | 177.3 | -177.8 | 0 | 111.1 | L205 A209 L210 D211 L237 | L205-K207 PolarHBondContact O-N 2.9Å; K207-A209 VanDerWaalsContact C-N 3.31Å; K207-A209 PolarHBondContact O-N 3.34Å; K207-L210 PolarHBondContact O-N 3.4Å; K207-L210 VanDerWaalsContact O-N 3.16Å; K207-D211 PolarHBondContact O-N 3Å; K207-L237 HydrophobicContact CB-CD2 4.29Å |
| 208 | E | 96.9 | Very high | 96.7 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.3 | -63.5 | 179.2 | -148.5 | 0 | 0 | 111.4 | L205 L210 D211 H212 | L205-E208 HydrophobicContact CB-CB 4.27Å; L205-E208 PolarHBondContact O-N 3.25Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 2.79Å; E208-D211 PolarHBondContact O-N 3.27Å; E208-H212 WeakPolarHBondContact O-CB 3.32Å; E208-H212 PolarHBondContact O-N 3.37Å |
| 209 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N197 L200 R201 L205 Y206 K207 L213 L233 | N197-A209 PolarHBondContact ND2-O 3.21Å; L200-A209 HydrophobicContact CB-CB 3.95Å; R201-A209 HydrophobicContact CG-CB 3.9Å; L205-A209 WeakPolarHBondContact O-CB 3.41Å; L205-A209 PolarHBondContact O-N 2.89Å; Y206-A209 PolarHBondContact O-N 3.44Å; K207-A209 VanDerWaalsContact C-N 3.31Å; K207-A209 PolarHBondContact O-N 3.34Å; A209-L213 VanDerWaalsContact O-CB 3.28Å; A209-L213 WeakPolarHBondContact O-CB 3.27Å; A209-L213 PolarHBondContact O-N 3.33Å; A209-L233 HydrophobicContact CB-CD1 3.96Å; A209-L233 HydrophobicContact CB-CD2 3.92Å |
| 210 | L | 98.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -41 | 178.7 | -176.9 | 61.9 | 0 | 0 | 0 | 112.2 | Y206 K207 E208 L213 S214 R230 L233 L234 L237 R239 | Y206-L210 PolarHBondContact O-N 2.77Å; K207-L210 PolarHBondContact O-N 3.4Å; K207-L210 VanDerWaalsContact O-N 3.16Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 2.79Å; L210-L213 PolarHBondContact O-N 3.04Å; L210-S214 WeakPolarHBondContact O-CB 3.38Å; L210-S214 PolarHBondContact O-N 2.81Å; L210-S214 PolarHBondContact O-OG 3.39Å; L210-R230 HydrophobicContact CD1-CG 4.38Å; L210-L233 HydrophobicContact CB-CB 4.38Å; L210-L233 HydrophobicContact CB-CD1 4.1Å; L210-L233 HydrophobicContact CD1-CB 4.26Å; L210-L233 HydrophobicContact CD1-CD1 4.34Å; L210-L234 HydrophobicContact CD1-CD2 4.48Å; L210-L234 HydrophobicContact CD1-CG 4.47Å; L210-L234 HydrophobicContact CD2-CD2 3.69Å; L210-L234 HydrophobicContact CD2-CG 4.39Å; L210-L237 HydrophobicContact CB-CD1 4.19Å; L210-L237 HydrophobicContact CD2-CD1 3.66Å; L210-R239 VanDerWaalsContact CD2-NH1 3.32Å |
| 211 | D | 97.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.2 | -68.2 | -20.4 | 0 | 0 | 0 | 110.2 | K207 E208 L213 S214 N215 | K207-D211 PolarHBondContact O-N 3Å; E208-D211 PolarHBondContact O-N 3.27Å; D211-L213 PolarHBondContact O-N 3.22Å; D211-S214 PolarHBondContact O-N 3.49Å; D211-N215 WeakPolarHBondContact O-CB 3.3Å; D211-N215 PolarHBondContact O-N 3.18Å; D211-N215 PolarHBondContact O-ND2 3.13Å; D211-N215 VanDerWaalsContact O-ND2 3.12Å |
| 212 | H | 97.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 7% | 0.069 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 174.1 | 177 | -78.2 | 0 | 0 | 0 | 111.7 | L193 Q196 N197 L200 E208 S214 N215 Y216 | L193-H212 PolarHBondContact O-CE1 3.43Å; L193-H212 VanDerWaalsContact O-CE1 3.28Å; Q196-H212 PolarHBondContact OE1-NE2 3.33Å; N197-H212 PolarHBondContact ND2-ND1 3.07Å; L200-H212 HydrophobicContact CD1-CB 4.14Å; E208-H212 WeakPolarHBondContact O-CB 3.32Å; E208-H212 PolarHBondContact O-N 3.37Å; H212-S214 PolarHBondContact O-N 3.24Å; H212-N215 PolarHBondContact O-N 3.03Å; H212-Y216 AromaticContact CD2-CD2 3.63Å; H212-Y216 AromaticContact CD2-CE2 3.64Å; H212-Y216 AromaticContact CE1-CD2 3.72Å; H212-Y216 AromaticContact CG-CD2 3.92Å; H212-Y216 AromaticContact ND1-CD2 3.97Å; H212-Y216 AromaticContact NE2-CD2 3.48Å; H212-Y216 WeakPolarHBondContact NE2-CD2 3.48Å; H212-Y216 AromaticContact NE2-CE2 3.76Å; H212-Y216 WeakPolarHBondContact O-CD2 3.49Å; H212-Y216 PolarHBondContact O-N 2.93Å; H212-Y216 VanDerWaalsContact O-N 3.11Å |
| 213 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | -179.6 | -171.1 | 67 | 0 | 0 | 0 | 111.4 | L194 A209 L210 D211 Y216 E217 I220 V226 T229 R230 L233 | L194-L213 HydrophobicContact CD2-CD1 4.29Å; A209-L213 VanDerWaalsContact O-CB 3.28Å; A209-L213 WeakPolarHBondContact O-CB 3.27Å; A209-L213 PolarHBondContact O-N 3.33Å; L210-L213 PolarHBondContact O-N 3.04Å; D211-L213 PolarHBondContact O-N 3.22Å; L213-Y216 PolarHBondContact O-N 3.03Å; L213-E217 WeakPolarHBondContact O-CA 3.25Å; L213-E217 WeakPolarHBondContact O-CB 3.22Å; L213-E217 PolarHBondContact O-N 3.32Å; L213-I220 HydrophobicContact CD1-CD1 4.13Å; L213-V226 HydrophobicContact CD1-CB 4.45Å; L213-V226 HydrophobicContact CD1-CG1 4.25Å; L213-V226 HydrophobicContact CD1-CG2 4.13Å; L213-V226 HydrophobicContact CD2-CG1 4.39Å; L213-V226 HydrophobicContact CG-CG1 4.25Å; L213-T229 HydrophobicContact CD2-CG2 3.99Å; L213-R230 HydrophobicContact CD2-CB 3.93Å; L213-L233 HydrophobicContact CD2-CD1 4.39Å |
| 214 | S | 96.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 59 Ų | 59 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | L210 D211 H212 Y216 | L210-S214 WeakPolarHBondContact O-CB 3.38Å; L210-S214 PolarHBondContact O-N 2.81Å; L210-S214 PolarHBondContact O-OG 3.39Å; D211-S214 PolarHBondContact O-N 3.49Å; H212-S214 PolarHBondContact O-N 3.24Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.49Å |
| 215 | N | 94.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.2 | -35.2 | -179.8 | -72.8 | -24 | 0 | 0 | 0 | 112.8 | D211 H212 | D211-N215 WeakPolarHBondContact O-CB 3.3Å; D211-N215 PolarHBondContact O-N 3.18Å; D211-N215 PolarHBondContact O-ND2 3.13Å; D211-N215 VanDerWaalsContact O-ND2 3.12Å; H212-N215 PolarHBondContact O-N 3.03Å |
| 216 | Y | 94.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 54.7 Ų | 54.7 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -109 | 0.2 | -173.4 | -60.1 | -61.7 | 0 | 0 | 0 | 114.9 | R175 L193 H212 L213 S214 K218 Q219 I220 | R175-Y216 VanDerWaalsContact CZ-OH 3.29Å; R175-Y216 PolarHBondContact NH1-OH 3.3Å; R175-Y216 PolarHBondContact NH2-OH 3.26Å; R175-Y216 VanDerWaalsContact NH2-OH 3.09Å; L193-Y216 HydrophobicContact CD1-CG 4.44Å; L193-Y216 HydrophobicContact CD2-CD1 4.21Å; L193-Y216 HydrophobicContact CD2-CD2 3.98Å; L193-Y216 HydrophobicContact CD2-CG 3.77Å; H212-Y216 AromaticContact CD2-CD2 3.63Å; H212-Y216 AromaticContact CD2-CE2 3.64Å; H212-Y216 AromaticContact CE1-CD2 3.72Å; H212-Y216 AromaticContact CG-CD2 3.92Å; H212-Y216 AromaticContact ND1-CD2 3.97Å; H212-Y216 AromaticContact NE2-CD2 3.48Å; H212-Y216 WeakPolarHBondContact NE2-CD2 3.48Å; H212-Y216 AromaticContact NE2-CE2 3.76Å; H212-Y216 WeakPolarHBondContact O-CD2 3.49Å; H212-Y216 PolarHBondContact O-N 2.93Å; H212-Y216 VanDerWaalsContact O-N 3.11Å; L213-Y216 PolarHBondContact O-N 3.03Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.49Å; Y216-K218 PolarHBondContact O-N 3.33Å; Y216-Q219 PolarHBondContact O-N 3.15Å; Y216-I220 WeakPolarHBondContact O-CG1 3.36Å; Y216-I220 PolarHBondContact O-N 3.48Å |
| 217 | E | 94.7 | Very high | 96.4 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -48.2 | -40.7 | -178.9 | 171.8 | 174.7 | -152.2 | 0 | 0 | 113.9 | L213 Q219 I220 K223 V226 R230 | L213-E217 WeakPolarHBondContact O-CA 3.25Å; L213-E217 WeakPolarHBondContact O-CB 3.22Å; L213-E217 PolarHBondContact O-N 3.32Å; E217-Q219 PolarHBondContact O-N 3.44Å; E217-I220 PolarHBondContact O-N 2.94Å; E217-K223 PolarHBondContact O-NZ 3.43Å; E217-V226 HydrophobicContact CG-CG1 4.11Å; E217-R230 IonicContact OE1-CZ 3.18Å; E217-R230 IonicContact OE1-NH1 2.79Å; E217-R230 PolarHBondContact OE1-NH1 3.36Å; E217-R230 IonicContact OE1-NH2 3.52Å; E217-R230 PolarHBondContact OE1-NH2 2.99Å; E217-R230 IonicContact OE2-CZ 3.27Å; E217-R230 IonicContact OE2-NH1 3.85Å; E217-R230 IonicContact OE2-NH2 2.7Å; E217-R230 PolarHBondContact OE2-NH2 3.07Å |
| 218 | K | 92.3 | Very high | 96.5 | Very high | 179 Ų | 179 | 49 Ų | 49 | 78% | 0.778 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -63.9 | -26.7 | -179.2 | -65.1 | -174 | -179.4 | 180 | 0 | 112.9 | V185 Y216 | V185-K218 WeakPolarHBondContact CG2-O 3.44Å; Y216-K218 PolarHBondContact O-N 3.33Å |
| 219 | Q | 92.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -95 | -2.5 | -179.1 | -66 | 171.8 | 76.2 | 0 | 0 | 112.8 | P182 Y189 L193 Y216 E217 | P182-Q219 WeakPolarHBondContact O-CG 3.37Å; Y189-Q219 HydrophobicContact CE1-CB 4.45Å; Y189-Q219 VanDerWaalsContact CE1-OE1 3.28Å; L193-Q219 HydrophobicContact CD1-CB 4.06Å; Y216-Q219 PolarHBondContact O-N 3.15Å; E217-Q219 PolarHBondContact O-N 3.44Å |
| 220 | I | 95.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -99.2 | 121.4 | 179.2 | -63.7 | 168.1 | 0 | 0 | 0 | 109.4 | S190 L193 L194 L213 Y216 E217 K223 V226 | S190-I220 WeakPolarHBondContact OG-CA 3.26Å; L193-I220 HydrophobicContact CB-CD1 4.19Å; L193-I220 HydrophobicContact CB-CG1 4.09Å; L193-I220 HydrophobicContact CD1-CG1 3.9Å; L194-I220 HydrophobicContact CD1-CG2 3.63Å; L194-I220 HydrophobicContact CD2-CD1 4.04Å; L194-I220 HydrophobicContact CD2-CG2 4.01Å; L194-I220 HydrophobicContact CG-CD1 4.3Å; L194-I220 HydrophobicContact CG-CG2 3.83Å; L213-I220 HydrophobicContact CD1-CD1 4.13Å; Y216-I220 WeakPolarHBondContact O-CG1 3.36Å; Y216-I220 PolarHBondContact O-N 3.48Å; E217-I220 PolarHBondContact O-N 2.94Å; I220-K223 WeakPolarHBondContact O-CE 3.33Å; I220-K223 PolarHBondContact O-NZ 3.44Å; I220-V226 HydrophobicContact CB-CG2 4Å; I220-V226 HydrophobicContact CD1-CG2 4.23Å; I220-V226 HydrophobicContact CG2-CG2 3.48Å; I220-V226 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 221 | C | 95.6 | Very high | 96.6 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | trans | -80 | -31.8 | 178.3 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | V185 S190 K223 | V185-C221 HydrophobicContact CG1-CB 3.51Å; S190-C221 PolarHBondContact OG-N 2.93Å; S190-C221 PolarHBondContact OG-SG 3.32Å; S190-C221 VanDerWaalsContact OG-SG 3.35Å; C221-K223 VanDerWaalsContact C-N 3.31Å; C221-K223 PolarHBondContact O-N 3.45Å | ||
| 222 | D | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -76.7 | 81.4 | -179.8 | -177.8 | 0.3 | 0 | 0 | 0 | 110.7 | L194 L224 A225 V226 R536 | L194-D222 HydrophobicContact CD1-CB 3.86Å; D222-L224 PolarHBondContact O-N 3.41Å; D222-L224 PolarHBondContact OD1-N 3.03Å; D222-A225 HydrophobicContact CB-CB 4.31Å; D222-A225 VanDerWaalsContact CG-CB 3.4Å; D222-A225 PolarHBondContact O-N 2.87Å; D222-A225 PolarHBondContact OD1-N 3.33Å; D222-A225 WeakPolarHBondContact OD2-CB 3.28Å; D222-V226 WeakPolarHBondContact O-CG2 3.37Å; D222-V226 PolarHBondContact O-N 2.88Å; D222-R536 IonicContact OD2-CZ 2.66Å; D222-R536 IonicContact OD2-NH1 2.83Å; D222-R536 IonicContact OD2-NH2 3.02Å; D222-R536 PolarHBondContact OD2-NH2 2.95Å | ||
| 223 | K | 96.6 | Very high | 96.6 | Very high | 87 Ų | 87 | 45 Ų | 45 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.4 | -24.8 | -178.4 | -58 | -50.3 | -173.4 | -175.1 | 0 | 113.3 | E217 I220 C221 E227 | E217-K223 PolarHBondContact O-NZ 3.43Å; I220-K223 WeakPolarHBondContact O-CE 3.33Å; I220-K223 PolarHBondContact O-NZ 3.44Å; C221-K223 VanDerWaalsContact C-N 3.31Å; C221-K223 PolarHBondContact O-N 3.45Å; K223-E227 PolarHBondContact O-N 3.34Å; K223-E227 VanDerWaalsContact O-N 3.08Å |
| 224 | L | 97.8 | Very high | 96.7 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.2 | -51.6 | 176.1 | 176.2 | 61.5 | 0 | 0 | 0 | 109.7 | D222 V226 E227 E228 L250 Y260 | D222-L224 PolarHBondContact O-N 3.41Å; D222-L224 PolarHBondContact OD1-N 3.03Å; L224-V226 PolarHBondContact O-N 3.44Å; L224-E227 PolarHBondContact O-N 3.19Å; L224-E228 HydrophobicContact CD1-CG 3.86Å; L224-E228 HydrophobicContact CG-CG 4.35Å; L224-E228 WeakPolarHBondContact O-CG 3.22Å; L224-E228 PolarHBondContact O-N 3.3Å; L224-L250 HydrophobicContact CD1-CD2 4.08Å; L224-Y260 WeakPolarHBondContact CD1-OH 3.47Å |
| 225 | A | 97.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L194 D222 T229 | L194-A225 HydrophobicContact CD1-CB 4.16Å; L194-A225 HydrophobicContact CD2-CB 4.44Å; D222-A225 HydrophobicContact CB-CB 4.31Å; D222-A225 VanDerWaalsContact CG-CB 3.4Å; D222-A225 PolarHBondContact O-N 2.87Å; D222-A225 PolarHBondContact OD1-N 3.33Å; D222-A225 WeakPolarHBondContact OD2-CB 3.28Å; A225-T229 WeakPolarHBondContact O-CB 3.38Å; A225-T229 PolarHBondContact O-N 3.42Å; A225-T229 PolarHBondContact O-OG1 3.22Å |
| 226 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -54.7 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L194 L213 E217 I220 D222 L224 T229 R230 | L194-V226 HydrophobicContact CD2-CG2 4.47Å; L213-V226 HydrophobicContact CD1-CB 4.45Å; L213-V226 HydrophobicContact CD1-CG1 4.25Å; L213-V226 HydrophobicContact CD1-CG2 4.13Å; L213-V226 HydrophobicContact CD2-CG1 4.39Å; L213-V226 HydrophobicContact CG-CG1 4.25Å; E217-V226 HydrophobicContact CG-CG1 4.11Å; I220-V226 HydrophobicContact CB-CG2 4Å; I220-V226 HydrophobicContact CD1-CG2 4.23Å; I220-V226 HydrophobicContact CG2-CG2 3.48Å; I220-V226 VanDerWaalsContact CG2-CG2 3.48Å; D222-V226 WeakPolarHBondContact O-CG2 3.37Å; D222-V226 PolarHBondContact O-N 2.88Å; L224-V226 PolarHBondContact O-N 3.44Å; V226-T229 PolarHBondContact O-N 2.86Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 3.05Å |
| 227 | E | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | -176.5 | -70.5 | -65 | 113 | 0 | 0 | 112.1 | K223 L224 R230 G231 V246 R249 L250 | K223-E227 PolarHBondContact O-N 3.34Å; K223-E227 VanDerWaalsContact O-N 3.08Å; L224-E227 PolarHBondContact O-N 3.19Å; E227-R230 PolarHBondContact O-N 3.19Å; E227-R230 IonicContact OE1-CZ 3.72Å; E227-R230 IonicContact OE1-NH1 3.66Å; E227-R230 PolarHBondContact OE1-NH1 2.98Å; E227-G231 PolarHBondContact O-N 3.36Å; E227-V246 HydrophobicContact CB-CG1 4.46Å; E227-V246 WeakPolarHBondContact O-CG1 3.38Å; E227-R249 IonicContact OE1-NH2 2.76Å; E227-R249 IonicContact OE2-CZ 2.8Å; E227-R249 IonicContact OE2-NE 3.24Å; E227-R249 PolarHBondContact OE2-NE 3.25Å; E227-R249 IonicContact OE2-NH2 3.15Å; E227-R249 PolarHBondContact OE2-NH2 2.83Å; E227-L250 HydrophobicContact CB-CD2 3.59Å; E227-L250 HydrophobicContact CB-CG 4.05Å |
| 228 | E | 98.3 | Very high | 97.1 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.1 | -72.4 | -174.5 | 145 | 0 | 0 | 111.6 | L224 G231 E232 L250 Y260 | L224-E228 HydrophobicContact CD1-CG 3.86Å; L224-E228 HydrophobicContact CG-CG 4.35Å; L224-E228 WeakPolarHBondContact O-CG 3.22Å; L224-E228 PolarHBondContact O-N 3.3Å; E228-G231 PolarHBondContact O-N 2.98Å; E228-E232 PolarHBondContact O-N 3.28Å; E228-L250 HydrophobicContact CG-CD1 4.3Å; E228-L250 HydrophobicContact CG-CD2 3.94Å; E228-Y260 HydrophobicContact CG-CE1 4.21Å; E228-Y260 PolarHBondContact OE1-OH 3.15Å |
| 229 | T | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | N197 R201 L213 A225 V226 E232 L233 | N197-T229 WeakPolarHBondContact OD1-CG2 3.42Å; R201-T229 PolarHBondContact NH1-OG1 3.39Å; L213-T229 HydrophobicContact CD2-CG2 3.99Å; A225-T229 WeakPolarHBondContact O-CB 3.38Å; A225-T229 PolarHBondContact O-N 3.42Å; A225-T229 PolarHBondContact O-OG1 3.22Å; V226-T229 PolarHBondContact O-N 2.86Å; T229-E232 PolarHBondContact O-N 2.87Å; T229-L233 HydrophobicContact CG2-CD1 3.77Å; T229-L233 HydrophobicContact CG2-CG 4.21Å; T229-L233 WeakPolarHBondContact O-CB 3.41Å; T229-L233 VanDerWaalsContact O-CG 3.22Å; T229-L233 WeakPolarHBondContact O-CG 3.49Å; T229-L233 PolarHBondContact O-N 3.45Å |
| 230 | R | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.2 | 177.1 | 179.7 | -76.1 | 158.7 | -8 | 111.1 | L210 L213 E217 V226 E227 L233 L234 V246 | L210-R230 HydrophobicContact CD1-CG 4.38Å; L213-R230 HydrophobicContact CD2-CB 3.93Å; E217-R230 IonicContact OE1-CZ 3.18Å; E217-R230 IonicContact OE1-NH1 2.79Å; E217-R230 PolarHBondContact OE1-NH1 3.36Å; E217-R230 IonicContact OE1-NH2 3.52Å; E217-R230 PolarHBondContact OE1-NH2 2.99Å; E217-R230 IonicContact OE2-CZ 3.27Å; E217-R230 IonicContact OE2-NH1 3.85Å; E217-R230 IonicContact OE2-NH2 2.7Å; E217-R230 PolarHBondContact OE2-NH2 3.07Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 3.05Å; E227-R230 PolarHBondContact O-N 3.19Å; E227-R230 IonicContact OE1-CZ 3.72Å; E227-R230 IonicContact OE1-NH1 3.66Å; E227-R230 PolarHBondContact OE1-NH1 2.98Å; R230-L233 PolarHBondContact O-N 3.1Å; R230-L234 HydrophobicContact CG-CD1 3.7Å; R230-L234 HydrophobicContact CG-CG 4.39Å; R230-L234 WeakPolarHBondContact O-CB 3.17Å; R230-L234 WeakPolarHBondContact O-CD1 3.16Å; R230-L234 WeakPolarHBondContact O-CG 3.32Å; R230-L234 PolarHBondContact O-N 2.92Å; R230-V246 HydrophobicContact CG-CG1 4.46Å; R230-V246 HydrophobicContact CG-CG2 3.83Å |
| 231 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E227 E228 L234 L235 | E227-G231 PolarHBondContact O-N 3.36Å; E228-G231 PolarHBondContact O-N 2.98Å; G231-L234 PolarHBondContact O-N 3.28Å; G231-L235 WeakPolarHBondContact O-CG 3.35Å; G231-L235 PolarHBondContact O-N 3.47Å; G231-L235 VanDerWaalsContact O-N 3.09Å |
| 232 | E | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 55 Ų | 55 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 175.7 | -175 | -170.5 | -173.2 | 0 | 0 | 112.1 | R201 E228 T229 L234 L235 K236 | R201-E232 IonicContact NH1-OE2 2.82Å; R201-E232 PolarHBondContact NH1-OE2 2.8Å; E228-E232 PolarHBondContact O-N 3.28Å; T229-E232 PolarHBondContact O-N 2.87Å; E232-L234 PolarHBondContact O-N 3.23Å; E232-L235 PolarHBondContact O-N 3.29Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.29Å |
| 233 | L | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.3 | -74.7 | 173.5 | 0 | 0 | 0 | 112.3 | R201 Y206 A209 L210 L213 T229 R230 L235 K236 L237 | R201-L233 HydrophobicContact CG-CD2 3.95Å; Y206-L233 HydrophobicContact CD1-CD2 3.82Å; Y206-L233 HydrophobicContact CG-CD2 4.3Å; A209-L233 HydrophobicContact CB-CD1 3.96Å; A209-L233 HydrophobicContact CB-CD2 3.92Å; L210-L233 HydrophobicContact CB-CB 4.38Å; L210-L233 HydrophobicContact CB-CD1 4.1Å; L210-L233 HydrophobicContact CD1-CB 4.26Å; L210-L233 HydrophobicContact CD1-CD1 4.34Å; L213-L233 HydrophobicContact CD2-CD1 4.39Å; T229-L233 HydrophobicContact CG2-CD1 3.77Å; T229-L233 HydrophobicContact CG2-CG 4.21Å; T229-L233 WeakPolarHBondContact O-CB 3.41Å; T229-L233 VanDerWaalsContact O-CG 3.22Å; T229-L233 WeakPolarHBondContact O-CG 3.49Å; T229-L233 PolarHBondContact O-N 3.45Å; R230-L233 PolarHBondContact O-N 3.1Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-K236 PolarHBondContact O-N 3.21Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 3.22Å |
| 234 | L | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 178.1 | -70.2 | 166.2 | 0 | 0 | 0 | 111.7 | L210 R230 G231 E232 L237 E238 R239 E242 A243 V246 | L210-L234 HydrophobicContact CD1-CD2 4.48Å; L210-L234 HydrophobicContact CD1-CG 4.47Å; L210-L234 HydrophobicContact CD2-CD2 3.69Å; L210-L234 HydrophobicContact CD2-CG 4.39Å; R230-L234 HydrophobicContact CG-CD1 3.7Å; R230-L234 HydrophobicContact CG-CG 4.39Å; R230-L234 WeakPolarHBondContact O-CB 3.17Å; R230-L234 WeakPolarHBondContact O-CD1 3.16Å; R230-L234 WeakPolarHBondContact O-CG 3.32Å; R230-L234 PolarHBondContact O-N 2.92Å; G231-L234 PolarHBondContact O-N 3.28Å; E232-L234 PolarHBondContact O-N 3.23Å; L234-L237 CarbonylContact O-C 3.51Å; L234-L237 PolarHBondContact O-N 3.24Å; L234-E238 PolarHBondContact O-N 3.07Å; L234-E238 VanDerWaalsContact O-N 3.17Å; L234-R239 HydrophobicContact CB-CB 4.39Å; L234-R239 HydrophobicContact CD2-CB 3.79Å; L234-R239 HydrophobicContact CD2-CG 4.49Å; L234-R239 PolarHBondContact O-N 3Å; L234-E242 HydrophobicContact CD1-CB 3.84Å; L234-E242 HydrophobicContact CD2-CB 3.96Å; L234-E242 HydrophobicContact CG-CB 4.45Å; L234-A243 HydrophobicContact CB-CB 3.78Å; L234-V246 HydrophobicContact CD1-CG2 3.82Å |
| 235 | L | 97.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 172.1 | -75.3 | 179.2 | 0 | 0 | 0 | 112.1 | G231 E232 L233 L237 E238 L240 A243 Y247 K266 A267 | G231-L235 WeakPolarHBondContact O-CG 3.35Å; G231-L235 PolarHBondContact O-N 3.47Å; G231-L235 VanDerWaalsContact O-N 3.09Å; E232-L235 PolarHBondContact O-N 3.29Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.88Å; L235-E238 PolarHBondContact O-N 3.14Å; L235-E238 VanDerWaalsContact O-N 3.14Å; L235-L240 HydrophobicContact CD2-CD2 4.17Å; L235-A243 HydrophobicContact CD2-CB 3.92Å; L235-A243 HydrophobicContact CG-CB 4.08Å; L235-Y247 HydrophobicContact CD1-CE2 3.5Å; L235-Y247 VanDerWaalsContact CD1-CE2 3.5Å; L235-Y247 WeakPolarHBondContact CD1-OH 3.34Å; L235-Y247 HydrophobicContact CG-CE2 3.9Å; L235-K266 HydrophobicContact CD1-CB 4.13Å; L235-K266 HydrophobicContact CD1-CD 4.37Å; L235-K266 HydrophobicContact CD2-CB 4.09Å; L235-A267 HydrophobicContact CD2-CB 3.87Å |
| 236 | K | 97.6 | Very high | 97.9 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.4 | -30.4 | 178.5 | -71 | -73.9 | -174.8 | 171 | 0 | 113 | Y206 E232 L233 E238 | Y206-K236 HydrophobicContact CD2-CB 4.06Å; Y206-K236 HydrophobicContact CE2-CB 4.35Å; Y206-K236 HydrophobicContact CE2-CD 4.26Å; Y206-K236 HydrophobicContact CG-CB 4.17Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.29Å; L233-K236 PolarHBondContact O-N 3.21Å; K236-E238 VanDerWaalsContact C-N 3.33Å |
| 237 | L | 97.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.2 | 176.8 | -65.3 | 171.8 | 0 | 0 | 0 | 113.2 | K207 L210 L233 L234 L235 R239 | K207-L237 HydrophobicContact CB-CD2 4.29Å; L210-L237 HydrophobicContact CB-CD1 4.19Å; L210-L237 HydrophobicContact CD2-CD1 3.66Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 3.22Å; L234-L237 CarbonylContact O-C 3.51Å; L234-L237 PolarHBondContact O-N 3.24Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.88Å; L237-R239 HydrophobicContact CB-CG 4.38Å; L237-R239 PolarHBondContact O-N 3.42Å |
| 238 | E | 97 | Very high | 97.9 | Very high | 152 Ų | 152 | 54.8 Ų | 54.8 | 71% | 0.71 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 25.4 | -177.6 | -54.3 | -167.7 | 149.7 | 0 | 0 | 114.8 | L234 L235 K236 L240 | L234-E238 PolarHBondContact O-N 3.07Å; L234-E238 VanDerWaalsContact O-N 3.17Å; L235-E238 PolarHBondContact O-N 3.14Å; L235-E238 VanDerWaalsContact O-N 3.14Å; K236-E238 VanDerWaalsContact C-N 3.33Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 3.29Å; E238-L240 VanDerWaalsContact O-N 3.09Å |
| 239 | R | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | trans | -86.9 | 67.4 | 174.1 | -68.6 | 171.8 | 67.1 | 174.4 | 1.8 | 110.2 | L210 L234 L237 D241 E242 A243 | L210-R239 VanDerWaalsContact CD2-NH1 3.32Å; L234-R239 HydrophobicContact CB-CB 4.39Å; L234-R239 HydrophobicContact CD2-CB 3.79Å; L234-R239 HydrophobicContact CD2-CG 4.49Å; L234-R239 PolarHBondContact O-N 3Å; L237-R239 HydrophobicContact CB-CG 4.38Å; L237-R239 PolarHBondContact O-N 3.42Å; R239-D241 PolarHBondContact O-N 2.97Å; R239-E242 IonicContact CZ-OE1 3.21Å; R239-E242 IonicContact CZ-OE2 2.69Å; R239-E242 IonicContact NE-OE1 2.88Å; R239-E242 PolarHBondContact NE-OE1 3.46Å; R239-E242 IonicContact NE-OE2 3.15Å; R239-E242 IonicContact NH2-OE1 3.35Å; R239-E242 PolarHBondContact NH2-OE1 3.34Å; R239-E242 IonicContact NH2-OE2 3.57Å; R239-E242 PolarHBondContact NH2-OE2 2.86Å; R239-E242 PolarHBondContact O-N 3.17Å; R239-A243 PolarHBondContact O-N 3.46Å | ||
| 240 | L | 97.6 | Very high | 97.8 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | -166 | -58.1 | -177.4 | 0 | 0 | 0 | 114.3 | L235 E238 A243 T244 A267 K269 | L235-L240 HydrophobicContact CD2-CD2 4.17Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 3.29Å; E238-L240 VanDerWaalsContact O-N 3.09Å; L240-A243 PolarHBondContact O-N 3.41Å; L240-T244 WeakPolarHBondContact O-CB 3.42Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.45Å; L240-A267 WeakPolarHBondContact CB-O 3.21Å; L240-K269 HydrophobicContact CD1-CD 4.07Å |
| 241 | D | 97.2 | Very high | 97.7 | Very high | 144 Ų | 144 | 54.7 Ų | 54.7 | 77% | 0.77 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.7 | -42.9 | -179.8 | -64.6 | -36.6 | 0 | 0 | 0 | 111.6 | R239 T244 E245 | R239-D241 PolarHBondContact O-N 2.97Å; D241-T244 WeakPolarHBondContact O-CB 3.28Å; D241-T244 PolarHBondContact O-N 2.91Å; D241-E245 PolarHBondContact O-N 2.83Å |
| 242 | E | 97.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 177.4 | -66.8 | 176.3 | -96.8 | 0 | 0 | 111.5 | L234 R239 T244 E245 V246 | L234-E242 HydrophobicContact CD1-CB 3.84Å; L234-E242 HydrophobicContact CD2-CB 3.96Å; L234-E242 HydrophobicContact CG-CB 4.45Å; R239-E242 IonicContact CZ-OE1 3.21Å; R239-E242 IonicContact CZ-OE2 2.69Å; R239-E242 IonicContact NE-OE1 2.88Å; R239-E242 PolarHBondContact NE-OE1 3.46Å; R239-E242 IonicContact NE-OE2 3.15Å; R239-E242 IonicContact NH2-OE1 3.35Å; R239-E242 PolarHBondContact NH2-OE1 3.34Å; R239-E242 IonicContact NH2-OE2 3.57Å; R239-E242 PolarHBondContact NH2-OE2 2.86Å; R239-E242 PolarHBondContact O-N 3.17Å; E242-T244 VanDerWaalsContact C-N 3.3Å; E242-T244 PolarHBondContact O-N 3.14Å; E242-E245 PolarHBondContact O-N 2.75Å; E242-V246 WeakPolarHBondContact O-CG2 3.36Å; E242-V246 PolarHBondContact O-N 3.13Å; E242-V246 VanDerWaalsContact O-N 3.1Å |
| 243 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L234 L235 R239 L240 E245 V246 Y247 A267 | L234-A243 HydrophobicContact CB-CB 3.78Å; L235-A243 HydrophobicContact CD2-CB 3.92Å; L235-A243 HydrophobicContact CG-CB 4.08Å; R239-A243 PolarHBondContact O-N 3.46Å; L240-A243 PolarHBondContact O-N 3.41Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 3.07Å; A243-V246 PolarHBondContact O-N 3.21Å; A243-Y247 WeakPolarHBondContact O-CD2 3.35Å; A243-Y247 PolarHBondContact O-N 3.25Å; A243-A267 HydrophobicContact CB-CB 4.09Å |
| 244 | T | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.043 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -48 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | L240 D241 E242 V246 Y247 R248 L264 A267 L268 | L240-T244 WeakPolarHBondContact O-CB 3.42Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.45Å; D241-T244 WeakPolarHBondContact O-CB 3.28Å; D241-T244 PolarHBondContact O-N 2.91Å; E242-T244 VanDerWaalsContact C-N 3.3Å; E242-T244 PolarHBondContact O-N 3.14Å; T244-V246 PolarHBondContact O-N 3.31Å; T244-Y247 PolarHBondContact O-N 2.84Å; T244-R248 WeakPolarHBondContact O-CG 3.45Å; T244-R248 PolarHBondContact O-N 2.73Å; T244-L264 HydrophobicContact CG2-CD1 3.7Å; T244-A267 WeakPolarHBondContact OG1-CB 3.46Å; T244-L268 HydrophobicContact CG2-CD2 3.63Å; T244-L268 HydrophobicContact CG2-CG 4.11Å |
| 245 | E | 97.8 | Very high | 97.5 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.8 | 179.1 | 52.8 | -150.2 | 0 | 0 | 112.1 | D241 E242 A243 R248 R249 | D241-E245 PolarHBondContact O-N 2.83Å; E242-E245 PolarHBondContact O-N 2.75Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 3.07Å; E245-R248 PolarHBondContact O-N 2.76Å; E245-R249 PolarHBondContact O-N 3.19Å; E245-R249 VanDerWaalsContact O-N 3.11Å; E245-R249 IonicContact OE1-NH1 2.68Å; E245-R249 PolarHBondContact OE1-NH1 3.47Å |
| 246 | V | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | E227 R230 L234 E242 A243 T244 R248 R249 L250 | E227-V246 HydrophobicContact CB-CG1 4.46Å; E227-V246 WeakPolarHBondContact O-CG1 3.38Å; R230-V246 HydrophobicContact CG-CG1 4.46Å; R230-V246 HydrophobicContact CG-CG2 3.83Å; L234-V246 HydrophobicContact CD1-CG2 3.82Å; E242-V246 WeakPolarHBondContact O-CG2 3.36Å; E242-V246 PolarHBondContact O-N 3.13Å; E242-V246 VanDerWaalsContact O-N 3.1Å; A243-V246 PolarHBondContact O-N 3.21Å; T244-V246 PolarHBondContact O-N 3.31Å; V246-R248 VanDerWaalsContact C-N 3.33Å; V246-R248 PolarHBondContact O-N 2.84Å; V246-R249 PolarHBondContact O-N 3.37Å; V246-L250 HydrophobicContact CG1-CD1 4.12Å; V246-L250 HydrophobicContact CG1-CG 4.49Å; V246-L250 WeakPolarHBondContact O-CG 3.5Å; V246-L250 PolarHBondContact O-N 3.02Å |
| 247 | Y | 98.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 65.8 Ų | 65.8 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -32.1 | 179.2 | -79.6 | -64.7 | 0 | 0 | 0 | 113 | L235 A243 T244 L250 Q251 Y260 | L235-Y247 HydrophobicContact CD1-CE2 3.5Å; L235-Y247 VanDerWaalsContact CD1-CE2 3.5Å; L235-Y247 WeakPolarHBondContact CD1-OH 3.34Å; L235-Y247 HydrophobicContact CG-CE2 3.9Å; A243-Y247 WeakPolarHBondContact O-CD2 3.35Å; A243-Y247 PolarHBondContact O-N 3.25Å; T244-Y247 PolarHBondContact O-N 2.84Å; Y247-L250 HydrophobicContact CD1-CD1 3.8Å; Y247-L250 HydrophobicContact CE1-CD1 3.98Å; Y247-L250 PolarHBondContact O-N 2.87Å; Y247-Q251 VanDerWaalsContact O-CB 3.28Å; Y247-Q251 WeakPolarHBondContact O-CB 3.39Å; Y247-Q251 PolarHBondContact O-N 3.31Å; Y247-Y260 HydrophobicContact CD1-CD1 4.48Å |
| 248 | R | 97.4 | Very high | 97.4 | Very high | 96 Ų | 96 | 69.2 Ų | 69.2 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 169.9 | -76 | 177.5 | 178.5 | 149.6 | 0.4 | 111.6 | T244 E245 V246 Q251 E252 L264 | T244-R248 WeakPolarHBondContact O-CG 3.45Å; T244-R248 PolarHBondContact O-N 2.73Å; E245-R248 PolarHBondContact O-N 2.76Å; V246-R248 VanDerWaalsContact C-N 3.33Å; V246-R248 PolarHBondContact O-N 2.84Å; R248-Q251 WeakPolarHBondContact O-CB 3.33Å; R248-Q251 PolarHBondContact O-N 2.74Å; R248-E252 WeakPolarHBondContact O-CG 3.47Å; R248-E252 PolarHBondContact O-N 3.07Å; R248-L264 HydrophobicContact CG-CD1 4.2Å; R248-L264 HydrophobicContact CG-CD2 4.48Å |
| 249 | R | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 174.1 | -69.4 | -165.5 | -58.8 | -100.4 | 2.7 | 113.1 | E227 E245 V246 Q251 E252 R253 | E227-R249 IonicContact OE1-NH2 2.76Å; E227-R249 IonicContact OE2-CZ 2.8Å; E227-R249 IonicContact OE2-NE 3.24Å; E227-R249 PolarHBondContact OE2-NE 3.25Å; E227-R249 IonicContact OE2-NH2 3.15Å; E227-R249 PolarHBondContact OE2-NH2 2.83Å; E245-R249 PolarHBondContact O-N 3.19Å; E245-R249 VanDerWaalsContact O-N 3.11Å; E245-R249 IonicContact OE1-NH1 2.68Å; E245-R249 PolarHBondContact OE1-NH1 3.47Å; V246-R249 PolarHBondContact O-N 3.37Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-E252 PolarHBondContact O-N 3.02Å; R249-R253 WeakPolarHBondContact O-CB 3.13Å; R249-R253 PolarHBondContact O-N 3.27Å |
| 250 | L | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.8 | -76.1 | 170.9 | 0 | 0 | 0 | 111.4 | L224 E227 E228 V246 Y247 R253 N254 Y260 | L224-L250 HydrophobicContact CD1-CD2 4.08Å; E227-L250 HydrophobicContact CB-CD2 3.59Å; E227-L250 HydrophobicContact CB-CG 4.05Å; E228-L250 HydrophobicContact CG-CD1 4.3Å; E228-L250 HydrophobicContact CG-CD2 3.94Å; V246-L250 HydrophobicContact CG1-CD1 4.12Å; V246-L250 HydrophobicContact CG1-CG 4.49Å; V246-L250 WeakPolarHBondContact O-CG 3.5Å; V246-L250 PolarHBondContact O-N 3.02Å; Y247-L250 HydrophobicContact CD1-CD1 3.8Å; Y247-L250 HydrophobicContact CE1-CD1 3.98Å; Y247-L250 PolarHBondContact O-N 2.87Å; L250-R253 WeakPolarHBondContact O-CB 2.92Å; L250-R253 PolarHBondContact O-N 3.14Å; L250-N254 PolarHBondContact O-N 3.18Å; L250-Y260 HydrophobicContact CB-CD1 3.93Å; L250-Y260 HydrophobicContact CB-CD2 3.77Å; L250-Y260 HydrophobicContact CB-CE1 4.09Å; L250-Y260 HydrophobicContact CB-CE2 3.89Å; L250-Y260 HydrophobicContact CB-CG 3.79Å; L250-Y260 HydrophobicContact CD1-CD1 4.12Å; L250-Y260 HydrophobicContact CD1-CE1 4.18Å; L250-Y260 HydrophobicContact CD2-CE1 4.22Å; L250-Y260 HydrophobicContact CG-CE1 4.41Å; L250-Y260 VanDerWaalsContact O-CD2 3.24Å; L250-Y260 WeakPolarHBondContact O-CD2 3.18Å; L250-Y260 WeakPolarHBondContact O-CE2 3.4Å |
| 251 | Q | 96.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 174.4 | -175.5 | -179.8 | 43 | 0 | 0 | 112.2 | Y247 R248 R249 R253 N254 P255 T283 | Y247-Q251 VanDerWaalsContact O-CB 3.28Å; Y247-Q251 WeakPolarHBondContact O-CB 3.39Å; Y247-Q251 PolarHBondContact O-N 3.31Å; R248-Q251 WeakPolarHBondContact O-CB 3.33Å; R248-Q251 PolarHBondContact O-N 2.74Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; Q251-R253 VanDerWaalsContact C-N 3.28Å; Q251-R253 PolarHBondContact O-N 3.1Å; Q251-N254 CarbonylContact O-C 3.6Å; Q251-N254 PolarHBondContact O-N 3.46Å; Q251-P255 WeakPolarHBondContact O-CA 3.17Å; Q251-P255 WeakPolarHBondContact O-CD 3.4Å; Q251-T283 HydrophobicContact CG-CG2 4.1Å; Q251-T283 PolarHBondContact NE2-OG1 3.39Å |
| 252 | E | 96.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 54.9 Ų | 54.9 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 171.8 | -73.7 | 177.3 | -179.8 | 0 | 0 | 112.4 | R248 R249 K286 F287 | R248-E252 WeakPolarHBondContact O-CG 3.47Å; R248-E252 PolarHBondContact O-N 3.07Å; R249-E252 PolarHBondContact O-N 3.02Å; E252-K286 IonicContact OE1-NZ 3.98Å; E252-K286 PolarHBondContact OE1-NZ 2.71Å; E252-F287 HydrophobicContact CB-CZ 4.45Å; E252-F287 HydrophobicContact CG-CZ 4.24Å |
| 253 | R | 96.9 | Very high | 97.4 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 58% | 0.581 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.1 | -42.7 | 176.7 | -179.9 | -177.1 | 176.1 | 80.3 | 2.1 | 111.9 | R249 L250 Q251 | R249-R253 WeakPolarHBondContact O-CB 3.13Å; R249-R253 PolarHBondContact O-N 3.27Å; L250-R253 WeakPolarHBondContact O-CB 2.92Å; L250-R253 PolarHBondContact O-N 3.14Å; Q251-R253 VanDerWaalsContact C-N 3.28Å; Q251-R253 PolarHBondContact O-N 3.1Å |
| 254 | N | 97.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | trans | -150.4 | 98.9 | 175.7 | -179.9 | 6.3 | 0 | 0 | 0 | 111.3 | L250 Q251 E256 N257 Y260 | L250-N254 PolarHBondContact O-N 3.18Å; Q251-N254 CarbonylContact O-C 3.6Å; Q251-N254 PolarHBondContact O-N 3.46Å; N254-E256 PolarHBondContact O-N 3.5Å; N254-E256 PolarHBondContact OD1-N 3.25Å; N254-N257 PolarHBondContact O-N 2.92Å; N254-Y260 HydrophobicContact CB-CE2 4.11Å; N254-Y260 WeakPolarHBondContact O-CD2 3.16Å | ||
| 255 | P | 96.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.4 | -179.9 | 29.5 | -35.1 | 0 | 0 | 0 | 113.3 | Q251 Y261 F287 | Q251-P255 WeakPolarHBondContact O-CA 3.17Å; Q251-P255 WeakPolarHBondContact O-CD 3.4Å; P255-Y261 VanDerWaalsContact O-CE2 3.24Å; P255-Y261 WeakPolarHBondContact O-CE2 3.48Å; P255-Y261 PolarHBondContact O-OH 2.73Å; P255-F287 HydrophobicContact CB-CB 4.42Å; P255-F287 HydrophobicContact CB-CD2 3.85Å; P255-F287 HydrophobicContact CB-CE2 4.26Å; P255-F287 HydrophobicContact CB-CG 4.03Å; P255-F287 HydrophobicContact CG-CB 4.46Å; P255-F287 HydrophobicContact CG-CD1 4.21Å; P255-F287 HydrophobicContact CG-CD2 4.34Å; P255-F287 HydrophobicContact CG-CG 4.07Å |
| 256 | E | 97.2 | Very high | 97.3 | Very high | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 2.2 | 179.4 | -54.2 | -56.1 | 133.7 | 0 | 0 | 113.2 | N254 G290 L291 V292 | N254-E256 PolarHBondContact O-N 3.5Å; N254-E256 PolarHBondContact OD1-N 3.25Å; E256-G290 WeakPolarHBondContact OE1-CA 3.24Å; E256-L291 PolarHBondContact OE1-N 3.04Å; E256-L291 PolarHBondContact OE2-N 3.04Å; E256-V292 HydrophobicContact CB-CG2 4.22Å; E256-V292 WeakPolarHBondContact O-CG2 3.47Å; E256-V292 VanDerWaalsContact OE2-CG2 3.3Å; E256-V292 WeakPolarHBondContact OE2-CG2 3.49Å; E256-V292 PolarHBondContact OE2-N 3.23Å; E256-V292 VanDerWaalsContact OE2-N 3.15Å |
| 257 | N | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | trans | -91.3 | 117.9 | 176.4 | -167.1 | -13.6 | 0 | 0 | 0 | 111.6 | N254 S259 Y260 Y261 | N254-N257 PolarHBondContact O-N 2.92Å; N257-S259 VanDerWaalsContact C-N 3.28Å; N257-S259 PolarHBondContact ND2-OG 3.48Å; N257-S259 PolarHBondContact O-N 3.36Å; N257-S259 PolarHBondContact OD1-N 3.1Å; N257-S259 VanDerWaalsContact OD1-N 3.15Å; N257-S259 PolarHBondContact OD1-OG 3.36Å; N257-Y260 HydrophobicContact CB-CD1 4.49Å; N257-Y260 HydrophobicContact CB-CD2 3.71Å; N257-Y260 HydrophobicContact CB-CE1 4.31Å; N257-Y260 HydrophobicContact CB-CE2 3.55Å; N257-Y260 HydrophobicContact CB-CG 4.19Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.31Å; N257-Y260 PolarHBondContact ND2-OH 2.87Å; N257-Y260 PolarHBondContact O-N 2.96Å; N257-Y261 VanDerWaalsContact O-CD2 3.25Å; N257-Y261 WeakPolarHBondContact O-CD2 3.35Å; N257-Y261 WeakPolarHBondContact O-CE2 3.19Å | ||
| 258 | W | 97.3 | Very high | 97.2 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 49% | 0.485 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | -177.5 | -64.3 | 15.5 | 0 | 0 | 0 | 112.6 | Y260 Y261 H262 V292 L296 | W258-Y260 PolarHBondContact O-N 3.32Å; W258-Y261 PolarHBondContact O-N 3.1Å; W258-H262 PolarHBondContact O-CD2 3.3Å; W258-H262 PolarHBondContact O-N 2.76Å; W258-V292 VanDerWaalsContact CD1-CG1 3.43Å; W258-V292 HydrophobicContact CG-CG1 4.4Å; W258-V292 VanDerWaalsContact NE1-CG2 3.35Å; W258-L296 HydrophobicContact CB-CD1 4.42Å; W258-L296 HydrophobicContact CD2-CD2 3.77Å; W258-L296 HydrophobicContact CE3-CD2 3.99Å; W258-L296 HydrophobicContact CG-CD1 4.24Å; W258-L296 HydrophobicContact CG-CD2 4.1Å; W258-L296 HydrophobicContact CZ2-CD2 4.42Å; W258-L296 HydrophobicContact CZ3-CD2 4.42Å |
| 259 | S | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 58 Ų | 58 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -29.9 | -176.4 | 68 | 0 | 0 | 0 | 0 | 112.3 | N257 H262 G263 | N257-S259 VanDerWaalsContact C-N 3.28Å; N257-S259 PolarHBondContact ND2-OG 3.48Å; N257-S259 PolarHBondContact O-N 3.36Å; N257-S259 PolarHBondContact OD1-N 3.1Å; N257-S259 VanDerWaalsContact OD1-N 3.15Å; N257-S259 PolarHBondContact OD1-OG 3.36Å; S259-H262 PolarHBondContact O-N 3.31Å; S259-G263 PolarHBondContact O-N 3.4Å |
| 260 | Y | 97.9 | Very high | 97 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -37.1 | -178.7 | -53.2 | -20.4 | 0 | 0 | 0 | 112 | L224 E228 Y247 L250 N254 N257 W258 G263 L264 | L224-Y260 WeakPolarHBondContact CD1-OH 3.47Å; E228-Y260 HydrophobicContact CG-CE1 4.21Å; E228-Y260 PolarHBondContact OE1-OH 3.15Å; Y247-Y260 HydrophobicContact CD1-CD1 4.48Å; L250-Y260 HydrophobicContact CB-CD1 3.93Å; L250-Y260 HydrophobicContact CB-CD2 3.77Å; L250-Y260 HydrophobicContact CB-CE1 4.09Å; L250-Y260 HydrophobicContact CB-CE2 3.89Å; L250-Y260 HydrophobicContact CB-CG 3.79Å; L250-Y260 HydrophobicContact CD1-CD1 4.12Å; L250-Y260 HydrophobicContact CD1-CE1 4.18Å; L250-Y260 HydrophobicContact CD2-CE1 4.22Å; L250-Y260 HydrophobicContact CG-CE1 4.41Å; L250-Y260 VanDerWaalsContact O-CD2 3.24Å; L250-Y260 WeakPolarHBondContact O-CD2 3.18Å; L250-Y260 WeakPolarHBondContact O-CE2 3.4Å; N254-Y260 HydrophobicContact CB-CE2 4.11Å; N254-Y260 WeakPolarHBondContact O-CD2 3.16Å; N257-Y260 HydrophobicContact CB-CD1 4.49Å; N257-Y260 HydrophobicContact CB-CD2 3.71Å; N257-Y260 HydrophobicContact CB-CE1 4.31Å; N257-Y260 HydrophobicContact CB-CE2 3.55Å; N257-Y260 HydrophobicContact CB-CG 4.19Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.31Å; N257-Y260 PolarHBondContact ND2-OH 2.87Å; N257-Y260 PolarHBondContact O-N 2.96Å; W258-Y260 PolarHBondContact O-N 3.32Å; Y260-G263 PolarHBondContact O-N 2.96Å; Y260-L264 VanDerWaalsContact O-CB 3.31Å; Y260-L264 WeakPolarHBondContact O-CB 3.27Å; Y260-L264 PolarHBondContact O-N 2.81Å |
| 261 | Y | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 172.2 | -61.9 | -91.7 | 0 | 0 | 0 | 110.5 | P255 N257 W258 G263 L264 E265 Y280 T283 V292 P293 L296 | P255-Y261 VanDerWaalsContact O-CE2 3.24Å; P255-Y261 WeakPolarHBondContact O-CE2 3.48Å; P255-Y261 PolarHBondContact O-OH 2.73Å; N257-Y261 VanDerWaalsContact O-CD2 3.25Å; N257-Y261 WeakPolarHBondContact O-CD2 3.35Å; N257-Y261 WeakPolarHBondContact O-CE2 3.19Å; W258-Y261 PolarHBondContact O-N 3.1Å; Y261-G263 VanDerWaalsContact C-N 3.33Å; Y261-G263 PolarHBondContact O-N 3.14Å; Y261-L264 PolarHBondContact O-N 3.27Å; Y261-E265 VanDerWaalsContact O-CG 3.3Å; Y261-E265 WeakPolarHBondContact O-CG 3.36Å; Y261-E265 PolarHBondContact O-N 3.22Å; Y261-Y280 AromaticContact CD1-CD1 3.56Å; Y261-Y280 HydrophobicContact CD1-CD1 3.56Å; Y261-Y280 AromaticContact CD1-CE1 3.33Å; Y261-Y280 HydrophobicContact CD1-CE1 3.33Å; Y261-Y280 AromaticContact CE1-CD1 3.86Å; Y261-Y280 HydrophobicContact CE1-CD1 3.86Å; Y261-Y280 HydrophobicContact CE1-CE1 4.04Å; Y261-Y280 HydrophobicContact CG-CD1 4.44Å; Y261-Y280 AromaticContact CG-CE1 3.79Å; Y261-Y280 HydrophobicContact CG-CE1 3.79Å; Y261-T283 HydrophobicContact CE1-CG2 3.95Å; Y261-T283 WeakPolarHBondContact OH-CG2 3.3Å; Y261-V292 HydrophobicContact CD2-CG1 4Å; Y261-V292 HydrophobicContact CE2-CB 4.49Å; Y261-V292 HydrophobicContact CE2-CG1 3.48Å; Y261-V292 VanDerWaalsContact CE2-CG1 3.48Å; Y261-P293 HydrophobicContact CE1-CB 3.95Å; Y261-P293 WeakPolarHBondContact OH-CD 3.07Å; Y261-L296 HydrophobicContact CD1-CD1 4.5Å; Y261-L296 HydrophobicContact CD2-CD1 3.77Å; Y261-L296 HydrophobicContact CE2-CD1 4.39Å; Y261-L296 HydrophobicContact CG-CD1 3.85Å |
| 262 | H | 96.8 | Very high | 96.7 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 176.3 | -68 | -44.9 | 0 | 0 | 0 | 113.1 | W258 S259 E265 K266 | W258-H262 PolarHBondContact O-CD2 3.3Å; W258-H262 PolarHBondContact O-N 2.76Å; S259-H262 PolarHBondContact O-N 3.31Å; H262-E265 IonicContact CE1-OE2 2.97Å; H262-E265 IonicContact ND1-OE2 2.56Å; H262-E265 PolarHBondContact ND1-OE2 2.91Å; H262-E265 VanDerWaalsContact ND1-OE2 3.1Å; H262-K266 WeakPolarHBondContact O-CB 3.41Å; H262-K266 VanDerWaalsContact O-CG 3.27Å; H262-K266 WeakPolarHBondContact O-CG 3.16Å; H262-K266 PolarHBondContact O-N 2.89Å |
| 263 | G | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 60 Ų | 60 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | S259 Y260 Y261 K266 A267 | S259-G263 PolarHBondContact O-N 3.4Å; Y260-G263 PolarHBondContact O-N 2.96Å; Y261-G263 VanDerWaalsContact C-N 3.33Å; Y261-G263 PolarHBondContact O-N 3.14Å; G263-K266 PolarHBondContact O-N 3.3Å; G263-A267 WeakPolarHBondContact O-CB 3.41Å; G263-A267 PolarHBondContact O-N 3.29Å |
| 264 | L | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 177.7 | -167.2 | 60 | 0 | 0 | 0 | 112.4 | T244 R248 Y260 Y261 K266 A267 L268 I279 | T244-L264 HydrophobicContact CG2-CD1 3.7Å; R248-L264 HydrophobicContact CG-CD1 4.2Å; R248-L264 HydrophobicContact CG-CD2 4.48Å; Y260-L264 VanDerWaalsContact O-CB 3.31Å; Y260-L264 WeakPolarHBondContact O-CB 3.27Å; Y260-L264 PolarHBondContact O-N 2.81Å; Y261-L264 PolarHBondContact O-N 3.27Å; L264-K266 VanDerWaalsContact C-N 3.35Å; L264-K266 PolarHBondContact O-N 3.02Å; L264-A267 PolarHBondContact O-N 2.91Å; L264-L268 HydrophobicContact CD1-CD1 4.03Å; L264-L268 HydrophobicContact CD1-CG 4.25Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CB 3.48Å; L264-L268 PolarHBondContact O-N 3.31Å; L264-I279 HydrophobicContact CD2-CG2 3.51Å; L264-I279 HydrophobicContact CG-CG2 4.09Å |
| 265 | E | 97.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 171.4 | -73.2 | 177.2 | 153.2 | 0 | 0 | 111.6 | Y261 H262 A267 K269 P270 R276 I279 Y280 | Y261-E265 VanDerWaalsContact O-CG 3.3Å; Y261-E265 WeakPolarHBondContact O-CG 3.36Å; Y261-E265 PolarHBondContact O-N 3.22Å; H262-E265 IonicContact CE1-OE2 2.97Å; H262-E265 IonicContact ND1-OE2 2.56Å; H262-E265 PolarHBondContact ND1-OE2 2.91Å; H262-E265 VanDerWaalsContact ND1-OE2 3.1Å; E265-A267 VanDerWaalsContact C-N 3.32Å; E265-A267 PolarHBondContact O-N 3.45Å; E265-K269 WeakPolarHBondContact O-CA 3.43Å; E265-K269 PolarHBondContact O-N 3.49Å; E265-P270 WeakPolarHBondContact O-CD 3.36Å; E265-R276 VanDerWaalsContact CD-NH2 3.31Å; E265-R276 IonicContact OE1-CZ 3.28Å; E265-R276 IonicContact OE1-NE 3.18Å; E265-R276 PolarHBondContact OE1-NE 3.37Å; E265-R276 IonicContact OE1-NH2 2.83Å; E265-R276 PolarHBondContact OE1-NH2 2.86Å; E265-R276 IonicContact OE2-CZ 2.85Å; E265-R276 IonicContact OE2-NH2 3.77Å; E265-R276 PolarHBondContact OE2-NH2 3.15Å; E265-R276 VanDerWaalsContact OE2-NH2 3.14Å; E265-I279 HydrophobicContact CG-CD1 4.28Å; E265-Y280 PolarHBondContact OE1-OH 3.31Å |
| 266 | K | 97 | Very high | 96.3 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.2 | -34.2 | 176.2 | -74.6 | 174 | -177.7 | 179.8 | 0 | 112.6 | L235 H262 G263 L264 K269 | L235-K266 HydrophobicContact CD1-CB 4.13Å; L235-K266 HydrophobicContact CD1-CD 4.37Å; L235-K266 HydrophobicContact CD2-CB 4.09Å; H262-K266 WeakPolarHBondContact O-CB 3.41Å; H262-K266 VanDerWaalsContact O-CG 3.27Å; H262-K266 WeakPolarHBondContact O-CG 3.16Å; H262-K266 PolarHBondContact O-N 2.89Å; G263-K266 PolarHBondContact O-N 3.3Å; L264-K266 VanDerWaalsContact C-N 3.35Å; L264-K266 PolarHBondContact O-N 3.02Å; K266-K269 WeakPolarHBondContact O-CG 3.44Å |
| 267 | A | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.8 | -51.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L235 L240 A243 T244 G263 L264 E265 | L235-A267 HydrophobicContact CD2-CB 3.87Å; L240-A267 WeakPolarHBondContact CB-O 3.21Å; A243-A267 HydrophobicContact CB-CB 4.09Å; T244-A267 WeakPolarHBondContact OG1-CB 3.46Å; G263-A267 WeakPolarHBondContact O-CB 3.41Å; G263-A267 PolarHBondContact O-N 3.29Å; L264-A267 PolarHBondContact O-N 2.91Å; E265-A267 VanDerWaalsContact C-N 3.32Å; E265-A267 PolarHBondContact O-N 3.45Å |
| 268 | L | 96.2 | Very high | 96.1 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -77.4 | -25.4 | -176 | -69.1 | 175.2 | 0 | 0 | 0 | 113.9 | T244 L264 I279 | T244-L268 HydrophobicContact CG2-CD2 3.63Å; T244-L268 HydrophobicContact CG2-CG 4.11Å; L264-L268 HydrophobicContact CD1-CD1 4.03Å; L264-L268 HydrophobicContact CD1-CG 4.25Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CB 3.48Å; L264-L268 PolarHBondContact O-N 3.31Å; L268-I279 HydrophobicContact CD1-CD1 3.8Å; L268-I279 HydrophobicContact CD1-CG1 3.87Å |
| 269 | K | 95.2 | Very high | 96 | Very high | 131 Ų | 131 | 57.2 Ų | 57.2 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | trans | 47.5 | 59.9 | -177.2 | -61.4 | -176.9 | 178.5 | 177.7 | 0 | 112.6 | L240 E265 K266 S271 | L240-K269 HydrophobicContact CD1-CD 4.07Å; E265-K269 WeakPolarHBondContact O-CA 3.43Å; E265-K269 PolarHBondContact O-N 3.49Å; K266-K269 WeakPolarHBondContact O-CG 3.44Å; K269-S271 PolarHBondContact O-N 2.71Å | ||
| 270 | P | 95.3 | Very high | 96 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | trans | -58.4 | 133.2 | -178.3 | 26.3 | -34.1 | 0 | 0 | 0 | 110.7 | E265 E275 R276 I279 | E265-P270 WeakPolarHBondContact O-CD 3.36Å; P270-E275 HydrophobicContact CB-CB 3.85Å; P270-R276 HydrophobicContact CB-CB 3.96Å; P270-R276 HydrophobicContact CG-CB 3.83Å; P270-R276 HydrophobicContact CG-CG 4.08Å; P270-I279 HydrophobicContact CG-CD1 4.28Å | ||
| 271 | S | 93.1 | Very high | 95.9 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -84.9 | -28.9 | -175.5 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | K269 E275 | K269-S271 PolarHBondContact O-N 2.71Å; S271-E275 WeakPolarHBondContact CB-OE2 3.32Å; S271-E275 PolarHBondContact N-OE2 2.93Å; S271-E275 VanDerWaalsContact OG-CD 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.28Å; S271-E275 PolarHBondContact OG-OE2 3.14Å |
| 272 | S | 94.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -122.4 | 162.8 | -178.5 | 96.8 | 0 | 0 | 0 | 0 | 112.2 | E274 E275 R276 | S272-E274 VanDerWaalsContact CB-OE2 3.22Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.12Å; S272-E274 PolarHBondContact OG-N 3.11Å; S272-E274 PolarHBondContact OG-OE2 2.74Å; S272-E275 PolarHBondContact O-N 3.21Å; S272-E275 PolarHBondContact OG-N 2.95Å; S272-R276 PolarHBondContact O-N 3.49Å |
| 273 | V | 94.3 | Very high | 95.5 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 42% | 0.418 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | R276 L277 F300 L301 | V273-R276 PolarHBondContact O-N 3.45Å; V273-L277 WeakPolarHBondContact O-CB 3.37Å; V273-L277 PolarHBondContact O-N 3.02Å; V273-F300 HydrophobicContact CG1-CD2 4.02Å; V273-F300 HydrophobicContact CG1-CE2 3.98Å; V273-L301 HydrophobicContact CG1-CD2 3.67Å |
| 274 | E | 93.5 | Very high | 95.3 | Very high | 128 Ų | 128 | 59.1 Ų | 59.1 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | 177.2 | -58.5 | 71.6 | -156 | 0 | 0 | 111.3 | S272 R276 L277 K278 | S272-E274 VanDerWaalsContact CB-OE2 3.22Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.12Å; S272-E274 PolarHBondContact OG-N 3.11Å; S272-E274 PolarHBondContact OG-OE2 2.74Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 2.88Å; E274-L277 PolarHBondContact O-N 2.93Å; E274-K278 PolarHBondContact O-N 3.44Å |
| 275 | E | 94.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 174.3 | -70.6 | -179 | 168.8 | 0 | 0 | 111.4 | P270 S271 S272 K278 | P270-E275 HydrophobicContact CB-CB 3.85Å; S271-E275 WeakPolarHBondContact CB-OE2 3.32Å; S271-E275 PolarHBondContact N-OE2 2.93Å; S271-E275 VanDerWaalsContact OG-CD 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.28Å; S271-E275 PolarHBondContact OG-OE2 3.14Å; S272-E275 PolarHBondContact O-N 3.21Å; S272-E275 PolarHBondContact OG-N 2.95Å; E275-K278 WeakPolarHBondContact O-CB 3.47Å; E275-K278 PolarHBondContact O-N 2.92Å |
| 276 | R | 96.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 70.2 Ų | 70.2 | 28% | 0.275 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.6 | -173.3 | -178.1 | -178.2 | 172.9 | 6.7 | 111.5 | E265 P270 S272 V273 E274 K278 I279 Y280 F300 | E265-R276 VanDerWaalsContact CD-NH2 3.31Å; E265-R276 IonicContact OE1-CZ 3.28Å; E265-R276 IonicContact OE1-NE 3.18Å; E265-R276 PolarHBondContact OE1-NE 3.37Å; E265-R276 IonicContact OE1-NH2 2.83Å; E265-R276 PolarHBondContact OE1-NH2 2.86Å; E265-R276 IonicContact OE2-CZ 2.85Å; E265-R276 IonicContact OE2-NH2 3.77Å; E265-R276 PolarHBondContact OE2-NH2 3.15Å; E265-R276 VanDerWaalsContact OE2-NH2 3.14Å; P270-R276 HydrophobicContact CB-CB 3.96Å; P270-R276 HydrophobicContact CG-CB 3.83Å; P270-R276 HydrophobicContact CG-CG 4.08Å; S272-R276 PolarHBondContact O-N 3.49Å; V273-R276 PolarHBondContact O-N 3.45Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 2.88Å; R276-K278 VanDerWaalsContact C-N 3.3Å; R276-K278 PolarHBondContact O-N 2.65Å; R276-I279 WeakPolarHBondContact O-CB 3.45Å; R276-I279 PolarHBondContact O-N 2.7Å; R276-Y280 HydrophobicContact CG-CE2 4.38Å; R276-Y280 VanDerWaalsContact O-CD2 3.26Å; R276-Y280 WeakPolarHBondContact O-CD2 3.37Å; R276-F300 HydrophobicContact CB-CE2 4.39Å; R276-F300 HydrophobicContact CB-CZ 4.38Å; R276-F300 HydrophobicContact CG-CE1 4.07Å; R276-F300 HydrophobicContact CG-CE2 4.1Å; R276-F300 HydrophobicContact CG-CZ 3.74Å; R276-F300 VanDerWaalsContact CZ-CD1 3.45Å |
| 277 | L | 96.5 | Very high | 95 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 177.9 | 178.9 | 58.8 | 0 | 0 | 0 | 111 | V273 E274 I279 Y280 E281 W284 P297 L301 | V273-L277 WeakPolarHBondContact O-CB 3.37Å; V273-L277 PolarHBondContact O-N 3.02Å; E274-L277 PolarHBondContact O-N 2.93Å; L277-I279 PolarHBondContact O-N 3.1Å; L277-I279 VanDerWaalsContact O-N 3.11Å; L277-Y280 WeakPolarHBondContact O-CA 3.46Å; L277-Y280 WeakPolarHBondContact O-CB 3.36Å; L277-Y280 PolarHBondContact O-N 3.01Å; L277-E281 HydrophobicContact CD1-CG 4.3Å; L277-E281 HydrophobicContact CG-CG 3.95Å; L277-E281 WeakPolarHBondContact O-CG 3.27Å; L277-E281 PolarHBondContact O-N 3.27Å; L277-W284 HydrophobicContact CD1-CH2 4.49Å; L277-P297 HydrophobicContact CD1-CB 3.8Å; L277-P297 HydrophobicContact CD1-CG 4.02Å; L277-L301 HydrophobicContact CD1-CD1 4.16Å; L277-L301 HydrophobicContact CD2-CD2 4.29Å |
| 278 | K | 95.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 69.7 Ų | 69.7 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.5 | -35.3 | -179.2 | -170.1 | 176.3 | 178.3 | -178.2 | 0 | 113.8 | E274 E275 R276 Y280 E281 E282 | E274-K278 PolarHBondContact O-N 3.44Å; E275-K278 WeakPolarHBondContact O-CB 3.47Å; E275-K278 PolarHBondContact O-N 2.92Å; R276-K278 VanDerWaalsContact C-N 3.3Å; R276-K278 PolarHBondContact O-N 2.65Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.18Å; K278-E281 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact O-N 3.13Å; K278-E282 VanDerWaalsContact CE-OE1 3.32Å; K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.42Å; K278-E282 WeakPolarHBondContact O-CG 3.45Å; K278-E282 PolarHBondContact O-N 3.27Å |
| 279 | I | 95.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 174.4 | -60.4 | 172.1 | 0 | 0 | 0 | 110.9 | L264 E265 L268 P270 R276 L277 T283 | L264-I279 HydrophobicContact CD2-CG2 3.51Å; L264-I279 HydrophobicContact CG-CG2 4.09Å; E265-I279 HydrophobicContact CG-CD1 4.28Å; L268-I279 HydrophobicContact CD1-CD1 3.8Å; L268-I279 HydrophobicContact CD1-CG1 3.87Å; P270-I279 HydrophobicContact CG-CD1 4.28Å; R276-I279 WeakPolarHBondContact O-CB 3.45Å; R276-I279 PolarHBondContact O-N 2.7Å; L277-I279 PolarHBondContact O-N 3.1Å; L277-I279 VanDerWaalsContact O-N 3.11Å; I279-T283 PolarHBondContact O-N 2.81Å; I279-T283 PolarHBondContact O-OG1 3.47Å |
| 280 | Y | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.7 | -32.7 | 178.7 | -62.4 | -84.7 | 0 | 0 | 0 | 111.9 | Y261 E265 R276 L277 K278 T283 W284 L296 P297 F300 | Y261-Y280 AromaticContact CD1-CD1 3.56Å; Y261-Y280 HydrophobicContact CD1-CD1 3.56Å; Y261-Y280 AromaticContact CD1-CE1 3.33Å; Y261-Y280 HydrophobicContact CD1-CE1 3.33Å; Y261-Y280 AromaticContact CE1-CD1 3.86Å; Y261-Y280 HydrophobicContact CE1-CD1 3.86Å; Y261-Y280 HydrophobicContact CE1-CE1 4.04Å; Y261-Y280 HydrophobicContact CG-CD1 4.44Å; Y261-Y280 AromaticContact CG-CE1 3.79Å; Y261-Y280 HydrophobicContact CG-CE1 3.79Å; E265-Y280 PolarHBondContact OE1-OH 3.31Å; R276-Y280 HydrophobicContact CG-CE2 4.38Å; R276-Y280 VanDerWaalsContact O-CD2 3.26Å; R276-Y280 WeakPolarHBondContact O-CD2 3.37Å; L277-Y280 WeakPolarHBondContact O-CA 3.46Å; L277-Y280 WeakPolarHBondContact O-CB 3.36Å; L277-Y280 PolarHBondContact O-N 3.01Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.18Å; Y280-T283 WeakPolarHBondContact O-CB 3.17Å; Y280-T283 PolarHBondContact O-N 2.9Å; Y280-W284 PolarHBondContact O-N 3.06Å; Y280-L296 HydrophobicContact CD1-CB 4.15Å; Y280-L296 HydrophobicContact CE1-CB 3.5Å; Y280-L296 VanDerWaalsContact CE1-CB 3.5Å; Y280-L296 HydrophobicContact CE1-CD1 3.78Å; Y280-L296 HydrophobicContact CE1-CG 4.29Å; Y280-P297 HydrophobicContact CD1-CG 3.96Å; Y280-P297 HydrophobicContact CD2-CG 3.97Å; Y280-P297 HydrophobicContact CG-CG 3.57Å; Y280-F300 HydrophobicContact CD2-CE1 4.18Å; Y280-F300 HydrophobicContact CD2-CZ 4.11Å; Y280-F300 AromaticContact CE2-CE1 3.59Å; Y280-F300 HydrophobicContact CE2-CE1 3.59Å; Y280-F300 AromaticContact CE2-CZ 3.91Å; Y280-F300 HydrophobicContact CE2-CZ 3.91Å |
| 281 | E | 94.9 | Very high | 94.1 | Very high | 59 Ų | 59 | 71.3 Ų | 71.3 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -49.7 | 177.9 | -61.7 | -175.3 | 138.1 | 0 | 0 | 112.3 | L277 K278 T283 W284 E285 | L277-E281 HydrophobicContact CD1-CG 4.3Å; L277-E281 HydrophobicContact CG-CG 3.95Å; L277-E281 WeakPolarHBondContact O-CG 3.27Å; L277-E281 PolarHBondContact O-N 3.27Å; K278-E281 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact O-N 3.13Å; E281-T283 PolarHBondContact O-N 3.26Å; E281-T283 VanDerWaalsContact O-N 3.11Å; E281-W284 VanDerWaalsContact CA-NE1 3.26Å; E281-W284 HydrophobicContact CB-CZ2 4.26Å; E281-W284 HydrophobicContact CG-CH2 4.28Å; E281-W284 HydrophobicContact CG-CZ2 3.53Å; E281-W284 PolarHBondContact O-N 2.87Å; E281-W284 PolarHBondContact O-NE1 2.8Å; E281-E285 WeakPolarHBondContact O-CG 3.41Å; E281-E285 PolarHBondContact O-N 3.09Å; E281-E285 VanDerWaalsContact O-N 3.09Å |
| 282 | E | 93.5 | Very high | 94.2 | Very high | 94 Ų | 94 | 67 Ų | 67 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.1 | -35.3 | 175 | -69.7 | 174.2 | -173.1 | 0 | 0 | 111.1 | K278 K286 | K278-E282 VanDerWaalsContact CE-OE1 3.32Å; K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.42Å; K278-E282 WeakPolarHBondContact O-CG 3.45Å; K278-E282 PolarHBondContact O-N 3.27Å; E282-K286 WeakPolarHBondContact O-CB 3.26Å; E282-K286 PolarHBondContact O-N 3.35Å |
| 283 | T | 93.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.1 | -45.4 | -179.5 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | Q251 Y261 I279 Y280 E281 E285 K286 F287 P293 | Q251-T283 HydrophobicContact CG-CG2 4.1Å; Q251-T283 PolarHBondContact NE2-OG1 3.39Å; Y261-T283 HydrophobicContact CE1-CG2 3.95Å; Y261-T283 WeakPolarHBondContact OH-CG2 3.3Å; I279-T283 PolarHBondContact O-N 2.81Å; I279-T283 PolarHBondContact O-OG1 3.47Å; Y280-T283 WeakPolarHBondContact O-CB 3.17Å; Y280-T283 PolarHBondContact O-N 2.9Å; E281-T283 PolarHBondContact O-N 3.26Å; E281-T283 VanDerWaalsContact O-N 3.11Å; T283-E285 PolarHBondContact O-N 3.49Å; T283-K286 PolarHBondContact O-N 3.24Å; T283-F287 HydrophobicContact CG2-CD2 3.77Å; T283-F287 HydrophobicContact CG2-CE2 4.37Å; T283-F287 WeakPolarHBondContact O-CD2 3.41Å; T283-F287 PolarHBondContact O-N 3.21Å; T283-P293 HydrophobicContact CG2-CB 3.87Å; T283-P293 HydrophobicContact CG2-CG 4.14Å |
| 284 | W | 93.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 64.3 Ų | 64.3 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.5 | -16.9 | -179 | 69 | 23.2 | 0 | 0 | 0 | 112.5 | L277 Y280 E281 F287 P288 P293 R294 | L277-W284 HydrophobicContact CD1-CH2 4.49Å; Y280-W284 PolarHBondContact O-N 3.06Å; E281-W284 VanDerWaalsContact CA-NE1 3.26Å; E281-W284 HydrophobicContact CB-CZ2 4.26Å; E281-W284 HydrophobicContact CG-CH2 4.28Å; E281-W284 HydrophobicContact CG-CZ2 3.53Å; E281-W284 PolarHBondContact O-N 2.87Å; E281-W284 PolarHBondContact O-NE1 2.8Å; W284-F287 CarbonylContact O-C 3.57Å; W284-P288 VanDerWaalsContact O-CA 3.27Å; W284-P288 WeakPolarHBondContact O-CA 3.43Å; W284-P293 HydrophobicContact CB-CB 4.2Å; W284-P293 HydrophobicContact CB-CG 4.29Å; W284-R294 HydrophobicContact CB-CG 4.07Å; W284-R294 HydrophobicContact CD2-CG 4.42Å; W284-R294 HydrophobicContact CE3-CB 4.2Å; W284-R294 HydrophobicContact CE3-CG 3.75Å; W284-R294 PolarHBondContact O-NH2 3.09Å |
| 285 | E | 94.2 | Very high | 94.5 | Very high | 144 Ų | 144 | 58.7 Ų | 58.7 | 67% | 0.673 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -79.3 | -44.8 | 173.1 | -78 | 179.5 | -175.5 | 0 | 0 | 109.3 | E281 T283 P288 | E281-E285 WeakPolarHBondContact O-CG 3.41Å; E281-E285 PolarHBondContact O-N 3.09Å; E281-E285 VanDerWaalsContact O-N 3.09Å; T283-E285 PolarHBondContact O-N 3.49Å; E285-P288 WeakPolarHBondContact O-CD 3.42Å; E285-P288 WeakPolarHBondContact O-CG 3.46Å |
| 286 | K | 95.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 50% | 0.504 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 176.4 | -171.3 | 171.7 | -177 | 170 | 0 | 113.1 | E252 E282 T283 P288 | E252-K286 IonicContact OE1-NZ 3.98Å; E252-K286 PolarHBondContact OE1-NZ 2.71Å; E282-K286 WeakPolarHBondContact O-CB 3.26Å; E282-K286 PolarHBondContact O-N 3.35Å; T283-K286 PolarHBondContact O-N 3.24Å; K286-P288 WeakPolarHBondContact O-CD 3.37Å |
| 287 | F | 94.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 22% | 0.219 | 24% | 0.237 | C | C | . | . | trans | -122.9 | 75.6 | 178.8 | -53.6 | -71.6 | 0 | 0 | 0 | 110.6 | E252 P255 T283 W284 K289 G290 | E252-F287 HydrophobicContact CB-CZ 4.45Å; E252-F287 HydrophobicContact CG-CZ 4.24Å; P255-F287 HydrophobicContact CB-CB 4.42Å; P255-F287 HydrophobicContact CB-CD2 3.85Å; P255-F287 HydrophobicContact CB-CE2 4.26Å; P255-F287 HydrophobicContact CB-CG 4.03Å; P255-F287 HydrophobicContact CG-CB 4.46Å; P255-F287 HydrophobicContact CG-CD1 4.21Å; P255-F287 HydrophobicContact CG-CD2 4.34Å; P255-F287 HydrophobicContact CG-CG 4.07Å; T283-F287 HydrophobicContact CG2-CD2 3.77Å; T283-F287 HydrophobicContact CG2-CE2 4.37Å; T283-F287 WeakPolarHBondContact O-CD2 3.41Å; T283-F287 PolarHBondContact O-N 3.21Å; W284-F287 CarbonylContact O-C 3.57Å; F287-K289 PolarHBondContact O-N 3.48Å; F287-K289 VanDerWaalsContact O-N 3.08Å; F287-G290 PolarHBondContact O-N 3.1Å | ||
| 288 | P | 90.9 | Very high | 94.8 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 52% | 0.519 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.8 | -174.1 | -27.8 | 35.9 | 0 | 0 | 0 | 114.8 | W284 E285 K286 G290 R294 | W284-P288 VanDerWaalsContact O-CA 3.27Å; W284-P288 WeakPolarHBondContact O-CA 3.43Å; E285-P288 WeakPolarHBondContact O-CD 3.42Å; E285-P288 WeakPolarHBondContact O-CG 3.46Å; K286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-G290 VanDerWaalsContact C-N 3.35Å; P288-R294 PolarHBondContact O-NE 2.69Å; P288-R294 PolarHBondContact O-NH2 3.21Å |
| 289 | K | 89.1 | Confident | 94.8 | Very high | 211 Ų | 211 | 47.9 Ų | 47.9 | 92% | 0.917 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.4 | 178.6 | -62.4 | -175.1 | 179.9 | 179.4 | 0 | 113.6 | F287 L291 | F287-K289 PolarHBondContact O-N 3.48Å; F287-K289 VanDerWaalsContact O-N 3.08Å; K289-L291 PolarHBondContact O-N 3.3Å |
| 290 | G | 90.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | -69.6 | 129.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E256 F287 P288 | E256-G290 WeakPolarHBondContact OE1-CA 3.24Å; F287-G290 PolarHBondContact O-N 3.1Å; P288-G290 VanDerWaalsContact C-N 3.35Å | ||
| 291 | L | 94.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -91.8 | -39.9 | -174.6 | -169.7 | 66.9 | 0 | 0 | 0 | 111.4 | E256 K289 R294 R295 Y313 M316 | E256-L291 PolarHBondContact OE1-N 3.04Å; E256-L291 PolarHBondContact OE2-N 3.04Å; K289-L291 PolarHBondContact O-N 3.3Å; L291-R294 PolarHBondContact O-N 2.87Å; L291-R295 WeakPolarHBondContact O-CB 3.29Å; L291-R295 PolarHBondContact O-N 3.5Å; L291-Y313 HydrophobicContact CD1-CD2 4.42Å; L291-Y313 HydrophobicContact CD1-CE2 3.5Å; L291-Y313 HydrophobicContact CG-CE2 4.19Å; L291-M316 HydrophobicContact CD1-CE 3.81Å |
| 292 | V | 96.2 | Very high | 94.9 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.7 | -48.2 | 177 | 169.5 | 0 | 0 | 0 | 0 | 114.1 | E256 W258 Y261 R294 R295 L296 | E256-V292 HydrophobicContact CB-CG2 4.22Å; E256-V292 WeakPolarHBondContact O-CG2 3.47Å; E256-V292 VanDerWaalsContact OE2-CG2 3.3Å; E256-V292 WeakPolarHBondContact OE2-CG2 3.49Å; E256-V292 PolarHBondContact OE2-N 3.23Å; E256-V292 VanDerWaalsContact OE2-N 3.15Å; W258-V292 VanDerWaalsContact CD1-CG1 3.43Å; W258-V292 HydrophobicContact CG-CG1 4.4Å; W258-V292 VanDerWaalsContact NE1-CG2 3.35Å; Y261-V292 HydrophobicContact CD2-CG1 4Å; Y261-V292 HydrophobicContact CE2-CB 4.49Å; Y261-V292 HydrophobicContact CE2-CG1 3.48Å; Y261-V292 VanDerWaalsContact CE2-CG1 3.48Å; V292-R294 PolarHBondContact O-N 3.38Å; V292-R295 PolarHBondContact O-N 3.37Å; V292-R295 VanDerWaalsContact O-N 3.1Å; V292-L296 HydrophobicContact CG1-CD1 3.45Å; V292-L296 VanDerWaalsContact CG1-CD1 3.45Å; V292-L296 HydrophobicContact CG1-CG 3.86Å; V292-L296 WeakPolarHBondContact O-CG 3.43Å; V292-L296 PolarHBondContact O-N 3.06Å |
| 293 | P | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -24.4 | -178.6 | 24.4 | -33.1 | 0 | 0 | 0 | 112.9 | Y261 T283 W284 P297 | Y261-P293 HydrophobicContact CE1-CB 3.95Å; Y261-P293 WeakPolarHBondContact OH-CD 3.07Å; T283-P293 HydrophobicContact CG2-CB 3.87Å; T283-P293 HydrophobicContact CG2-CG 4.14Å; W284-P293 HydrophobicContact CB-CB 4.2Å; W284-P293 HydrophobicContact CB-CG 4.29Å; P293-P297 WeakPolarHBondContact O-CD 3.49Å; P293-P297 VanDerWaalsContact O-CG 3.31Å; P293-P297 WeakPolarHBondContact O-CG 3.41Å |
| 294 | R | 95.7 | Very high | 95 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84 | -31.3 | 174.3 | -57.1 | -178.6 | -178 | -74.2 | -1.8 | 112.7 | W284 P288 L291 V292 Y313 | W284-R294 HydrophobicContact CB-CG 4.07Å; W284-R294 HydrophobicContact CD2-CG 4.42Å; W284-R294 HydrophobicContact CE3-CB 4.2Å; W284-R294 HydrophobicContact CE3-CG 3.75Å; W284-R294 PolarHBondContact O-NH2 3.09Å; P288-R294 PolarHBondContact O-NE 2.69Å; P288-R294 PolarHBondContact O-NH2 3.21Å; L291-R294 PolarHBondContact O-N 2.87Å; V292-R294 PolarHBondContact O-N 3.38Å; R294-Y313 HydrophobicContact CB-CD2 3.9Å; R294-Y313 HydrophobicContact CB-CE2 4.44Å |
| 295 | R | 97.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.2 | -43 | -177.3 | 174.6 | 56.1 | -170.2 | 78.6 | 1.9 | 112.9 | L291 V292 L298 N299 Y313 T328 S331 | L291-R295 WeakPolarHBondContact O-CB 3.29Å; L291-R295 PolarHBondContact O-N 3.5Å; V292-R295 PolarHBondContact O-N 3.37Å; V292-R295 VanDerWaalsContact O-N 3.1Å; R295-L298 WeakPolarHBondContact O-CB 3.44Å; R295-L298 PolarHBondContact O-N 3.38Å; R295-N299 PolarHBondContact NH1-OD1 3.03Å; R295-N299 PolarHBondContact NH2-OD1 3.32Å; R295-Y313 HydrophobicContact CB-CE2 3.92Å; R295-T328 PolarHBondContact NE-O 2.85Å; R295-T328 PolarHBondContact NH2-O 3.25Å; R295-S331 PolarHBondContact NH2-OG 2.89Å |
| 296 | L | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -60.3 | -40.9 | -173.7 | -75.7 | 178.9 | 0 | 0 | 0 | 114.2 | W258 Y261 Y280 V292 L298 N299 | W258-L296 HydrophobicContact CB-CD1 4.42Å; W258-L296 HydrophobicContact CD2-CD2 3.77Å; W258-L296 HydrophobicContact CE3-CD2 3.99Å; W258-L296 HydrophobicContact CG-CD1 4.24Å; W258-L296 HydrophobicContact CG-CD2 4.1Å; W258-L296 HydrophobicContact CZ2-CD2 4.42Å; W258-L296 HydrophobicContact CZ3-CD2 4.42Å; Y261-L296 HydrophobicContact CD1-CD1 4.5Å; Y261-L296 HydrophobicContact CD2-CD1 3.77Å; Y261-L296 HydrophobicContact CE2-CD1 4.39Å; Y261-L296 HydrophobicContact CG-CD1 3.85Å; Y280-L296 HydrophobicContact CD1-CB 4.15Å; Y280-L296 HydrophobicContact CE1-CB 3.5Å; Y280-L296 VanDerWaalsContact CE1-CB 3.5Å; Y280-L296 HydrophobicContact CE1-CD1 3.78Å; Y280-L296 HydrophobicContact CE1-CG 4.29Å; V292-L296 HydrophobicContact CG1-CD1 3.45Å; V292-L296 VanDerWaalsContact CG1-CD1 3.45Å; V292-L296 HydrophobicContact CG1-CG 3.86Å; V292-L296 WeakPolarHBondContact O-CG 3.43Å; V292-L296 PolarHBondContact O-N 3.06Å; L296-L298 PolarHBondContact O-N 3.01Å; L296-L298 VanDerWaalsContact O-N 3.15Å; L296-N299 WeakPolarHBondContact O-CB 3.32Å; L296-N299 PolarHBondContact O-N 3.43Å |
| 297 | P | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -53.9 | -34.9 | 176.5 | -30.5 | 37.6 | 0 | 0 | 0 | 114.4 | L277 Y280 P293 N299 F300 L301 | L277-P297 HydrophobicContact CD1-CB 3.8Å; L277-P297 HydrophobicContact CD1-CG 4.02Å; Y280-P297 HydrophobicContact CD1-CG 3.96Å; Y280-P297 HydrophobicContact CD2-CG 3.97Å; Y280-P297 HydrophobicContact CG-CG 3.57Å; P293-P297 WeakPolarHBondContact O-CD 3.49Å; P293-P297 VanDerWaalsContact O-CG 3.31Å; P293-P297 WeakPolarHBondContact O-CG 3.41Å; P297-N299 PolarHBondContact O-N 3.41Å; P297-F300 HydrophobicContact CB-CE1 4.29Å; P297-F300 HydrophobicContact CB-CZ 4.11Å; P297-F300 PolarHBondContact O-N 3.14Å; P297-L301 HydrophobicContact CB-CD1 3.74Å; P297-L301 HydrophobicContact CB-CG 4.24Å; P297-L301 VanDerWaalsContact O-CG 3.29Å; P297-L301 WeakPolarHBondContact O-CG 3.38Å; P297-L301 PolarHBondContact O-N 3.01Å |
| 298 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -60.5 | -20.3 | -179.4 | -54.4 | -178.2 | 0 | 0 | 0 | 113.2 | R295 L296 F306 C309 L310 Y313 L329 L332 K338 | R295-L298 WeakPolarHBondContact O-CB 3.44Å; R295-L298 PolarHBondContact O-N 3.38Å; L296-L298 PolarHBondContact O-N 3.01Å; L296-L298 VanDerWaalsContact O-N 3.15Å; L298-F306 HydrophobicContact CB-CE2 4.09Å; L298-F306 HydrophobicContact CD2-CD2 4.25Å; L298-F306 HydrophobicContact CD2-CE2 4.23Å; L298-C309 HydrophobicContact CD2-CB 3.89Å; L298-L310 HydrophobicContact CD1-CD1 4.11Å; L298-L310 HydrophobicContact CD2-CB 4.19Å; L298-Y313 HydrophobicContact CD1-CD1 4.08Å; L298-Y313 HydrophobicContact CD1-CG 4.1Å; L298-L329 HydrophobicContact CD1-CD2 3.62Å; L298-L332 HydrophobicContact CB-CD1 3.99Å; L298-L332 WeakPolarHBondContact O-CD2 3.34Å; L298-K338 PolarHBondContact O-NZ 3.14Å |
| 299 | N | 96.8 | Very high | 95.8 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -69 | -38.1 | 175.5 | -69.1 | -25.4 | 0 | 0 | 0 | 112.4 | R295 L296 P297 K338 | R295-N299 PolarHBondContact NH1-OD1 3.03Å; R295-N299 PolarHBondContact NH2-OD1 3.32Å; L296-N299 WeakPolarHBondContact O-CB 3.32Å; L296-N299 PolarHBondContact O-N 3.43Å; P297-N299 PolarHBondContact O-N 3.41Å; N299-K338 PolarHBondContact O-NZ 3.08Å |
| 300 | F | 95.9 | Very high | 96.2 | Very high | 40 Ų | 40 | 36 Ų | 36 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -18.8 | -173.4 | 66.7 | -103.7 | 0 | 0 | 0 | 114.6 | V273 R276 Y280 P297 | V273-F300 HydrophobicContact CG1-CD2 4.02Å; V273-F300 HydrophobicContact CG1-CE2 3.98Å; R276-F300 HydrophobicContact CB-CE2 4.39Å; R276-F300 HydrophobicContact CB-CZ 4.38Å; R276-F300 HydrophobicContact CG-CE1 4.07Å; R276-F300 HydrophobicContact CG-CE2 4.1Å; R276-F300 HydrophobicContact CG-CZ 3.74Å; R276-F300 VanDerWaalsContact CZ-CD1 3.45Å; Y280-F300 HydrophobicContact CD2-CE1 4.18Å; Y280-F300 HydrophobicContact CD2-CZ 4.11Å; Y280-F300 AromaticContact CE2-CE1 3.59Å; Y280-F300 HydrophobicContact CE2-CE1 3.59Å; Y280-F300 AromaticContact CE2-CZ 3.91Å; Y280-F300 HydrophobicContact CE2-CZ 3.91Å; P297-F300 HydrophobicContact CB-CE1 4.29Å; P297-F300 HydrophobicContact CB-CZ 4.11Å; P297-F300 PolarHBondContact O-N 3.14Å |
| 301 | L | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -68.9 | 152.4 | 174.9 | -66.7 | 174.8 | 0 | 0 | 0 | 111.6 | V273 L277 P297 K305 F306 C309 K338 | V273-L301 HydrophobicContact CG1-CD2 3.67Å; L277-L301 HydrophobicContact CD1-CD1 4.16Å; L277-L301 HydrophobicContact CD2-CD2 4.29Å; P297-L301 HydrophobicContact CB-CD1 3.74Å; P297-L301 HydrophobicContact CB-CG 4.24Å; P297-L301 VanDerWaalsContact O-CG 3.29Å; P297-L301 WeakPolarHBondContact O-CG 3.38Å; P297-L301 PolarHBondContact O-N 3.01Å; L301-K305 HydrophobicContact CD2-CB 4.48Å; L301-F306 HydrophobicContact CB-CB 3.94Å; L301-F306 HydrophobicContact CB-CD2 4.29Å; L301-C309 HydrophobicContact CD1-CB 3.84Å; L301-C309 VanDerWaalsContact CD1-SG 3.58Å; L301-K338 WeakPolarHBondContact O-CE 3.19Å; L301-K338 PolarHBondContact O-NZ 3.44Å | ||
| 302 | S | 95.7 | Very high | 96.6 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 57% | 0.573 | 20% | 0.203 | S | C | * | . | trans | -143 | 170.3 | 174.2 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | F306 | S302-F306 PolarHBondContact O-N 2.95Š| ||
| 303 | G | 95 | Very high | 96.6 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | 58.9 | -144.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K305 F306 R307 | G303-K305 VanDerWaalsContact C-N 3.33Å; G303-K305 PolarHBondContact O-N 3.21Å; G303-F306 WeakPolarHBondContact O-CB 3.45Å; G303-F306 PolarHBondContact O-N 3.08Å; G303-R307 PolarHBondContact O-N 3.2Å; G303-R307 VanDerWaalsContact O-N 3.09Å |
| 304 | E | 94.9 | Very high | 96.7 | Very high | 142 Ų | 142 | 40.2 Ų | 40.2 | 66% | 0.664 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -62.6 | -35.6 | -177 | -70.7 | -55.3 | 131.3 | 0 | 0 | 113.4 | F306 R307 E308 | E304-F306 VanDerWaalsContact C-N 3.32Å; E304-F306 PolarHBondContact O-N 2.95Å; E304-R307 WeakPolarHBondContact O-CB 3.43Å; E304-R307 PolarHBondContact O-N 2.91Å; E304-E308 WeakPolarHBondContact O-CB 3.11Å; E304-E308 PolarHBondContact O-N 3.34Å |
| 305 | K | 95.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 40.2 Ų | 40.2 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 177.8 | -78.4 | -73.2 | 167.4 | -162.4 | 0 | 112.3 | L301 G303 E308 C309 | L301-K305 HydrophobicContact CD2-CB 4.48Å; G303-K305 VanDerWaalsContact C-N 3.33Å; G303-K305 PolarHBondContact O-N 3.21Å; K305-E308 IonicContact NZ-OE2 2.73Å; K305-E308 PolarHBondContact NZ-OE2 3.45Å; K305-C309 PolarHBondContact O-N 3.39Å; K305-C309 VanDerWaalsContact O-N 3.15Å; K305-C309 PolarHBondContact O-SG 3.05Å |
| 306 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 169.7 | 172.1 | -100.4 | 0 | 0 | 0 | 111.2 | L298 L301 S302 G303 E304 E308 C309 L310 L332 K338 I341 I342 | L298-F306 HydrophobicContact CB-CE2 4.09Å; L298-F306 HydrophobicContact CD2-CD2 4.25Å; L298-F306 HydrophobicContact CD2-CE2 4.23Å; L301-F306 HydrophobicContact CB-CB 3.94Å; L301-F306 HydrophobicContact CB-CD2 4.29Å; S302-F306 PolarHBondContact O-N 2.95Å; G303-F306 WeakPolarHBondContact O-CB 3.45Å; G303-F306 PolarHBondContact O-N 3.08Å; E304-F306 VanDerWaalsContact C-N 3.32Å; E304-F306 PolarHBondContact O-N 2.95Å; F306-E308 PolarHBondContact O-N 3.47Å; F306-C309 PolarHBondContact O-N 3.19Å; F306-L310 HydrophobicContact CE1-CD2 3.75Å; F306-L310 HydrophobicContact CZ-CD2 3.93Å; F306-L310 WeakPolarHBondContact O-CB 3.23Å; F306-L310 PolarHBondContact O-N 3.36Å; F306-L332 HydrophobicContact CE2-CD1 4.05Å; F306-L332 HydrophobicContact CZ-CD1 4.19Å; F306-K338 HydrophobicContact CD1-CG 4.31Å; F306-K338 HydrophobicContact CD2-CD 4.32Å; F306-K338 HydrophobicContact CE1-CB 3.94Å; F306-K338 HydrophobicContact CE1-CD 4.48Å; F306-K338 HydrophobicContact CE1-CG 3.86Å; F306-K338 HydrophobicContact CE2-CD 3.81Å; F306-K338 HydrophobicContact CE2-CG 4.09Å; F306-K338 HydrophobicContact CZ-CB 3.81Å; F306-K338 HydrophobicContact CZ-CD 3.91Å; F306-K338 HydrophobicContact CZ-CG 3.74Å; F306-I341 HydrophobicContact CD1-CB 4.42Å; F306-I341 HydrophobicContact CD1-CD1 3.96Å; F306-I341 HydrophobicContact CD1-CG2 4.07Å; F306-I341 HydrophobicContact CE1-CB 4.18Å; F306-I341 HydrophobicContact CE1-CD1 4.39Å; F306-I341 HydrophobicContact CE1-CG2 4.04Å; F306-I342 HydrophobicContact CZ-CD1 4.49Å; F306-I342 HydrophobicContact CZ-CG1 4.47Å |
| 307 | R | 97.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 178.4 | -170.5 | 178.5 | -172.8 | 128 | 1 | 111.9 | G303 E304 L310 D311 I341 E344 | G303-R307 PolarHBondContact O-N 3.2Å; G303-R307 VanDerWaalsContact O-N 3.09Å; E304-R307 WeakPolarHBondContact O-CB 3.43Å; E304-R307 PolarHBondContact O-N 2.91Å; R307-L310 PolarHBondContact O-N 3.37Å; R307-D311 VanDerWaalsContact O-CB 3.3Å; R307-D311 WeakPolarHBondContact O-CB 3.39Å; R307-D311 PolarHBondContact O-N 3.08Å; R307-I341 HydrophobicContact CB-CG2 4.02Å; R307-I341 HydrophobicContact CG-CG2 3.98Å; R307-E344 IonicContact CZ-OE1 3.8Å; R307-E344 IonicContact CZ-OE2 3.13Å; R307-E344 VanDerWaalsContact NH1-CD 3.27Å; R307-E344 IonicContact NH1-OE1 3.86Å; R307-E344 PolarHBondContact NH1-OE1 2.88Å; R307-E344 VanDerWaalsContact NH1-OE1 3.1Å; R307-E344 IonicContact NH1-OE2 2.82Å; R307-E344 PolarHBondContact NH1-OE2 3.23Å; R307-E344 VanDerWaalsContact NH2-CD 3.33Å; R307-E344 IonicContact NH2-OE1 3.55Å; R307-E344 PolarHBondContact NH2-OE1 3.44Å; R307-E344 IonicContact NH2-OE2 3.75Å |
| 308 | E | 96.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.4 | -49 | 177.7 | -174.7 | -170.5 | 168.7 | 0 | 0 | 112.1 | E304 K305 F306 R312 | E304-E308 WeakPolarHBondContact O-CB 3.11Å; E304-E308 PolarHBondContact O-N 3.34Å; K305-E308 IonicContact NZ-OE2 2.73Å; K305-E308 PolarHBondContact NZ-OE2 3.45Å; F306-E308 PolarHBondContact O-N 3.47Å; E308-R312 PolarHBondContact O-N 2.86Å; E308-R312 IonicContact OE1-CZ 3.91Å; E308-R312 VanDerWaalsContact OE1-CZ 3.3Å; E308-R312 IonicContact OE1-NH1 2.8Å; E308-R312 IonicContact OE1-NH2 2.87Å; E308-R312 PolarHBondContact OE1-NH2 3.17Å |
| 309 | C | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -37.6 | -179 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L298 L301 K305 F306 Y313 | L298-C309 HydrophobicContact CD2-CB 3.89Å; L301-C309 HydrophobicContact CD1-CB 3.84Å; L301-C309 VanDerWaalsContact CD1-SG 3.58Å; K305-C309 PolarHBondContact O-N 3.39Å; K305-C309 VanDerWaalsContact O-N 3.15Å; K305-C309 PolarHBondContact O-SG 3.05Å; F306-C309 PolarHBondContact O-N 3.19Å; C309-Y313 WeakPolarHBondContact O-CB 3.45Å; C309-Y313 PolarHBondContact O-N 3.15Å |
| 310 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.3 | 177.6 | 67.8 | 0 | 0 | 0 | 111 | L298 F306 R307 R312 Y313 L314 L329 I341 I342 L345 | L298-L310 HydrophobicContact CD1-CD1 4.11Å; L298-L310 HydrophobicContact CD2-CB 4.19Å; F306-L310 HydrophobicContact CE1-CD2 3.75Å; F306-L310 HydrophobicContact CZ-CD2 3.93Å; F306-L310 WeakPolarHBondContact O-CB 3.23Å; F306-L310 PolarHBondContact O-N 3.36Å; R307-L310 PolarHBondContact O-N 3.37Å; L310-R312 PolarHBondContact O-N 2.9Å; L310-Y313 WeakPolarHBondContact O-CB 3.27Å; L310-Y313 PolarHBondContact O-N 3.47Å; L310-Y313 VanDerWaalsContact O-N 3.15Å; L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CD2 4.43Å; L310-L314 HydrophobicContact CD1-CG 3.87Å; L310-L314 HydrophobicContact CD2-CD1 4.24Å; L310-L314 HydrophobicContact CG-CD1 3.73Å; L310-L314 HydrophobicContact CG-CG 4.14Å; L310-L314 WeakPolarHBondContact O-CB 3.35Å; L310-L314 WeakPolarHBondContact O-CG 3.48Å; L310-L314 PolarHBondContact O-N 2.94Å; L310-L329 HydrophobicContact CD1-CD1 3.89Å; L310-L329 HydrophobicContact CD1-CD2 4.42Å; L310-I341 HydrophobicContact CD2-CG2 4.4Å; L310-I342 HydrophobicContact CD1-CG1 4.42Å; L310-I342 HydrophobicContact CD2-CB 4.39Å; L310-I342 HydrophobicContact CD2-CG1 3.48Å; L310-I342 VanDerWaalsContact CD2-CG1 3.48Å; L310-L345 HydrophobicContact CD2-CD2 4.02Å; L310-L345 HydrophobicContact CG-CD2 4.13Å |
| 311 | D | 97.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.193 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -50.3 | 177.8 | 172.7 | 85.6 | 0 | 0 | 0 | 111.4 | R307 Y313 L314 R315 L345 Y349 | R307-D311 VanDerWaalsContact O-CB 3.3Å; R307-D311 WeakPolarHBondContact O-CB 3.39Å; R307-D311 PolarHBondContact O-N 3.08Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 3.4Å; D311-L314 PolarHBondContact O-N 2.88Å; D311-R315 VanDerWaalsContact CG-NE 3.26Å; D311-R315 WeakPolarHBondContact O-CB 3.35Å; D311-R315 VanDerWaalsContact O-CG 3.27Å; D311-R315 WeakPolarHBondContact O-CG 3.48Å; D311-R315 PolarHBondContact O-N 2.9Å; D311-R315 IonicContact OD1-CZ 2.71Å; D311-R315 IonicContact OD1-NE 2.84Å; D311-R315 PolarHBondContact OD1-NE 3.42Å; D311-R315 IonicContact OD1-NH2 3.74Å; D311-R315 VanDerWaalsContact OD2-CD 3.27Å; D311-R315 WeakPolarHBondContact OD2-CD 3.18Å; D311-R315 IonicContact OD2-CZ 2.73Å; D311-R315 IonicContact OD2-NE 3.88Å; D311-R315 PolarHBondContact OD2-NE 3.08Å; D311-L345 HydrophobicContact CB-CD1 4.47Å; D311-L345 HydrophobicContact CB-CD2 3.98Å; D311-Y349 VanDerWaalsContact CA-OH 3.3Å; D311-Y349 WeakPolarHBondContact CA-OH 3.39Å; D311-Y349 VanDerWaalsContact CG-OH 3.24Å; D311-Y349 PolarHBondContact OD1-OH 3.03Å |
| 312 | R | 94.9 | Very high | 96.2 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 48% | 0.475 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 175.2 | -69 | -179.7 | -177.7 | 158.6 | 10.3 | 112.3 | E308 L310 M316 | E308-R312 PolarHBondContact O-N 2.86Å; E308-R312 IonicContact OE1-CZ 3.91Å; E308-R312 VanDerWaalsContact OE1-CZ 3.3Å; E308-R312 IonicContact OE1-NH1 2.8Å; E308-R312 IonicContact OE1-NH2 2.87Å; E308-R312 PolarHBondContact OE1-NH2 3.17Å; L310-R312 PolarHBondContact O-N 2.9Å; R312-M316 WeakPolarHBondContact O-CB 3.29Å; R312-M316 PolarHBondContact O-N 3.26Å |
| 313 | Y | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 179.1 | -178.7 | -97 | 0 | 0 | 0 | 111.7 | L291 R294 R295 L298 C309 L310 D311 M316 N317 V325 T328 L329 | L291-Y313 HydrophobicContact CD1-CD2 4.42Å; L291-Y313 HydrophobicContact CD1-CE2 3.5Å; L291-Y313 HydrophobicContact CG-CE2 4.19Å; R294-Y313 HydrophobicContact CB-CD2 3.9Å; R294-Y313 HydrophobicContact CB-CE2 4.44Å; R295-Y313 HydrophobicContact CB-CE2 3.92Å; L298-Y313 HydrophobicContact CD1-CD1 4.08Å; L298-Y313 HydrophobicContact CD1-CG 4.1Å; C309-Y313 WeakPolarHBondContact O-CB 3.45Å; C309-Y313 PolarHBondContact O-N 3.15Å; L310-Y313 WeakPolarHBondContact O-CB 3.27Å; L310-Y313 PolarHBondContact O-N 3.47Å; L310-Y313 VanDerWaalsContact O-N 3.15Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 3.4Å; Y313-M316 HydrophobicContact CD2-CE 4.48Å; Y313-N317 PolarHBondContact O-N 2.86Å; Y313-N317 PolarHBondContact O-ND2 3.5Å; Y313-V325 HydrophobicContact CE1-CG1 4.48Å; Y313-T328 PolarHBondContact OH-OG1 3.24Å; Y313-L329 HydrophobicContact CD1-CD2 4.25Å; Y313-L329 HydrophobicContact CE1-CD1 4.41Å; Y313-L329 HydrophobicContact CE1-CD2 3.91Å; Y313-L329 HydrophobicContact CE1-CG 4.22Å |
| 314 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -49.5 | -177.6 | -72.9 | 177.2 | 0 | 0 | 0 | 111.7 | L310 D311 M316 N317 F318 V325 L329 L345 V346 Y349 F379 | L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CD2 4.43Å; L310-L314 HydrophobicContact CD1-CG 3.87Å; L310-L314 HydrophobicContact CD2-CD1 4.24Å; L310-L314 HydrophobicContact CG-CD1 3.73Å; L310-L314 HydrophobicContact CG-CG 4.14Å; L310-L314 WeakPolarHBondContact O-CB 3.35Å; L310-L314 WeakPolarHBondContact O-CG 3.48Å; L310-L314 PolarHBondContact O-N 2.94Å; D311-L314 PolarHBondContact O-N 2.88Å; L314-M316 VanDerWaalsContact C-N 3.32Å; L314-M316 PolarHBondContact O-N 2.76Å; L314-N317 PolarHBondContact O-N 3.22Å; L314-F318 HydrophobicContact CB-CD2 4.02Å; L314-F318 HydrophobicContact CB-CE2 3.78Å; L314-F318 HydrophobicContact CD1-CE2 4.38Å; L314-F318 HydrophobicContact CD2-CE2 3.91Å; L314-F318 HydrophobicContact CD2-CZ 3.88Å; L314-F318 HydrophobicContact CG-CE2 4.24Å; L314-F318 WeakPolarHBondContact O-CB 3.47Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 WeakPolarHBondContact O-CG 3.49Å; L314-F318 PolarHBondContact O-N 3.29Å; L314-V325 HydrophobicContact CD2-CG1 3.7Å; L314-L329 HydrophobicContact CD2-CD1 3.72Å; L314-L345 HydrophobicContact CD1-CD2 4.1Å; L314-V346 HydrophobicContact CD1-CG2 3.74Å; L314-Y349 HydrophobicContact CB-CE2 4.03Å; L314-Y349 HydrophobicContact CD1-CE2 4.19Å; L314-F379 HydrophobicContact CD2-CE2 4.3Å |
| 315 | R | 95.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.4 | -50.5 | 177.7 | -72.3 | 171.3 | 173.5 | -105.3 | 4.8 | 111.5 | D311 N317 F318 S319 F359 D363 | D311-R315 VanDerWaalsContact CG-NE 3.26Å; D311-R315 WeakPolarHBondContact O-CB 3.35Å; D311-R315 VanDerWaalsContact O-CG 3.27Å; D311-R315 WeakPolarHBondContact O-CG 3.48Å; D311-R315 PolarHBondContact O-N 2.9Å; D311-R315 IonicContact OD1-CZ 2.71Å; D311-R315 IonicContact OD1-NE 2.84Å; D311-R315 PolarHBondContact OD1-NE 3.42Å; D311-R315 IonicContact OD1-NH2 3.74Å; D311-R315 VanDerWaalsContact OD2-CD 3.27Å; D311-R315 WeakPolarHBondContact OD2-CD 3.18Å; D311-R315 IonicContact OD2-CZ 2.73Å; D311-R315 IonicContact OD2-NE 3.88Å; D311-R315 PolarHBondContact OD2-NE 3.08Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 3.11Å; R315-F318 PolarHBondContact O-N 2.76Å; R315-S319 WeakPolarHBondContact O-CB 3.21Å; R315-S319 PolarHBondContact O-N 2.73Å; R315-S319 PolarHBondContact O-OG 3.39Å; R315-S319 VanDerWaalsContact O-OG 3.11Å; R315-F359 HydrophobicContact CB-CD2 4.38Å; R315-F359 HydrophobicContact CB-CE2 4.09Å; R315-F359 HydrophobicContact CB-CZ 4.23Å; R315-F359 HydrophobicContact CG-CB 4.45Å; R315-F359 HydrophobicContact CG-CD1 4.11Å; R315-F359 HydrophobicContact CG-CD2 3.94Å; R315-F359 HydrophobicContact CG-CE1 4.3Å; R315-F359 HydrophobicContact CG-CE2 4.12Å; R315-F359 HydrophobicContact CG-CG 3.93Å; R315-F359 HydrophobicContact CG-CZ 4.29Å; R315-F359 VanDerWaalsContact CZ-CB 3.46Å; R315-F359 VanDerWaalsContact NH1-CB 3.28Å; R315-D363 IonicContact CZ-OD1 3.73Å; R315-D363 IonicContact CZ-OD2 3.51Å; R315-D363 VanDerWaalsContact NH1-CG 3.31Å; R315-D363 IonicContact NH1-OD1 3.44Å; R315-D363 PolarHBondContact NH1-OD1 3.23Å; R315-D363 IonicContact NH1-OD2 3.34Å; R315-D363 PolarHBondContact NH1-OD2 3.31Å; R315-D363 IonicContact NH2-OD1 3.71Å; R315-D363 PolarHBondContact NH2-OD1 3.09Å; R315-D363 IonicContact NH2-OD2 2.87Å |
| 316 | M | 94.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 33% | 0.33 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.3 | -45.3 | 177.2 | 179.6 | -170.1 | 68.5 | 0 | 0 | 112.4 | L291 R312 Y313 L314 K320 | L291-M316 HydrophobicContact CD1-CE 3.81Å; R312-M316 WeakPolarHBondContact O-CB 3.29Å; R312-M316 PolarHBondContact O-N 3.26Å; Y313-M316 HydrophobicContact CD2-CE 4.48Å; L314-M316 VanDerWaalsContact C-N 3.32Å; L314-M316 PolarHBondContact O-N 2.76Å; M316-K320 VanDerWaalsContact O-CB 3.26Å; M316-K320 WeakPolarHBondContact O-CB 3.49Å; M316-K320 PolarHBondContact O-N 3.36Å |
| 317 | N | 96.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -80 | -31.4 | -175.3 | -73.4 | -70.5 | 0 | 0 | 0 | 113.5 | Y313 L314 R315 G321 C322 V325 | Y313-N317 PolarHBondContact O-N 2.86Å; Y313-N317 PolarHBondContact O-ND2 3.5Å; L314-N317 PolarHBondContact O-N 3.22Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 3.11Å; N317-G321 PolarHBondContact O-N 3.16Å; N317-C322 HydrophobicContact CB-CB 4.43Å; N317-C322 PolarHBondContact O-N 2.96Å; N317-V325 HydrophobicContact CB-CG1 4.46Å; N317-V325 HydrophobicContact CB-CG2 3.38Å |
| 318 | F | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.1 | -45.2 | 176.3 | -69.5 | -37 | 0 | 0 | 0 | 111.7 | L314 R315 K320 G321 V325 V346 Y349 F359 T372 W375 V376 F379 | L314-F318 HydrophobicContact CB-CD2 4.02Å; L314-F318 HydrophobicContact CB-CE2 3.78Å; L314-F318 HydrophobicContact CD1-CE2 4.38Å; L314-F318 HydrophobicContact CD2-CE2 3.91Å; L314-F318 HydrophobicContact CD2-CZ 3.88Å; L314-F318 HydrophobicContact CG-CE2 4.24Å; L314-F318 WeakPolarHBondContact O-CB 3.47Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 WeakPolarHBondContact O-CG 3.49Å; L314-F318 PolarHBondContact O-N 3.29Å; R315-F318 PolarHBondContact O-N 2.76Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 3Å; F318-G321 PolarHBondContact O-N 2.9Å; F318-V325 HydrophobicContact CE1-CG1 4.29Å; F318-V346 HydrophobicContact CE2-CG1 4.4Å; F318-V346 HydrophobicContact CE2-CG2 4.3Å; F318-V346 HydrophobicContact CZ-CG1 4.35Å; F318-V346 HydrophobicContact CZ-CG2 4.45Å; F318-Y349 HydrophobicContact CD2-CD2 4.17Å; F318-Y349 HydrophobicContact CD2-CE2 4.35Å; F318-Y349 HydrophobicContact CE2-CD2 4Å; F318-Y349 HydrophobicContact CE2-CE2 4.17Å; F318-F359 HydrophobicContact CB-CE1 3.96Å; F318-F359 HydrophobicContact CB-CZ 3.91Å; F318-F359 HydrophobicContact CD2-CE1 4.11Å; F318-T372 HydrophobicContact CB-CG2 4.22Å; F318-W375 HydrophobicContact CD1-CB 4.04Å; F318-V376 HydrophobicContact CB-CG2 4.33Å; F318-V376 HydrophobicContact CD1-CG2 4.32Å; F318-V376 HydrophobicContact CD2-CG2 3.7Å; F318-V376 HydrophobicContact CE2-CG2 3.97Å; F318-V376 HydrophobicContact CG-CG2 3.89Å; F318-V376 HydrophobicContact CZ-CG2 4.41Å; F318-F379 HydrophobicContact CE1-CB 3.68Å; F318-F379 AromaticContact CE1-CD2 4Å; F318-F379 HydrophobicContact CE1-CD2 4Å; F318-F379 AromaticContact CE1-CG 3.99Å; F318-F379 HydrophobicContact CE1-CG 3.99Å; F318-F379 HydrophobicContact CZ-CB 3.78Å; F318-F379 HydrophobicContact CZ-CD1 4.3Å; F318-F379 AromaticContact CZ-CD2 3.89Å; F318-F379 HydrophobicContact CZ-CD2 3.89Å; F318-F379 AromaticContact CZ-CG 3.73Å; F318-F379 HydrophobicContact CZ-CG 3.73Å |
| 319 | S | 95.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 38 Ų | 38 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -37.8 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 112 | R315 G321 F359 E368 | R315-S319 WeakPolarHBondContact O-CB 3.21Å; R315-S319 PolarHBondContact O-N 2.73Å; R315-S319 PolarHBondContact O-OG 3.39Å; R315-S319 VanDerWaalsContact O-OG 3.11Å; S319-G321 VanDerWaalsContact C-N 3.31Å; S319-F359 VanDerWaalsContact OG-CE2 3.26Å; S319-F359 WeakPolarHBondContact OG-CE2 3.43Å; S319-F359 WeakPolarHBondContact OG-CZ 3.33Å; S319-E368 WeakPolarHBondContact CB-OE2 3.5Å; S319-E368 PolarHBondContact OG-OE1 2.84Å; S319-E368 VanDerWaalsContact OG-OE1 3.05Å; S319-E368 PolarHBondContact OG-OE2 3.27Å |
| 320 | K | 95.4 | Very high | 96.3 | Very high | 163 Ų | 163 | 42.8 Ų | 42.8 | 71% | 0.709 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -73.1 | -24.8 | 175.6 | -174.1 | 175.4 | 171.9 | -166.7 | 0 | 112.9 | M316 F318 C322 | M316-K320 VanDerWaalsContact O-CB 3.26Å; M316-K320 WeakPolarHBondContact O-CB 3.49Å; M316-K320 PolarHBondContact O-N 3.36Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 3Å; K320-C322 VanDerWaalsContact CD-SG 3.55Å |
| 321 | G | 95.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 50.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N317 F318 S319 P323 W375 | N317-G321 PolarHBondContact O-N 3.16Å; F318-G321 PolarHBondContact O-N 2.9Å; S319-G321 VanDerWaalsContact C-N 3.31Å; G321-P323 WeakPolarHBondContact O-CD 3.39Å; G321-W375 WeakPolarHBondContact O-CZ2 3.43Å |
| 322 | C | 94.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | trans | -85.1 | 120.8 | 178.6 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | N317 K320 P324 V325 | N317-C322 HydrophobicContact CB-CB 4.43Å; N317-C322 PolarHBondContact O-N 2.96Å; K320-C322 VanDerWaalsContact CD-SG 3.55Å; C322-P324 VanDerWaalsContact C-CD 3.43Å; C322-V325 HydrophobicContact CB-CG2 4.08Å; C322-V325 VanDerWaalsContact O-CG2 3.25Å; C322-V325 WeakPolarHBondContact O-CG2 3.27Å | ||
| 323 | P | 94.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -35.2 | 178.4 | -20.7 | 28.8 | 0 | 0 | 0 | 116.9 | G321 V325 W375 Y378 E409 | G321-P323 WeakPolarHBondContact O-CD 3.39Å; P323-V325 VanDerWaalsContact C-N 3.32Å; P323-V325 PolarHBondContact O-N 3.09Å; P323-W375 HydrophobicContact CB-CH2 4.14Å; P323-W375 HydrophobicContact CB-CZ3 3.97Å; P323-W375 HydrophobicContact CG-CH2 3.66Å; P323-W375 HydrophobicContact CG-CZ3 3.99Å; P323-Y378 WeakPolarHBondContact O-CE1 3.31Å; P323-E409 HydrophobicContact CB-CG 4.29Å |
| 324 | P | 96.4 | Very high | 96.1 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11.6 | -169.2 | 33 | -36 | 0 | 0 | 0 | 115.1 | C322 F326 T327 T328 | C322-P324 VanDerWaalsContact C-CD 3.43Å; P324-F326 VanDerWaalsContact C-N 3.35Å; P324-F326 PolarHBondContact O-N 2.9Å; P324-T327 CarbonylContact O-C 3.07Å; P324-T327 WeakPolarHBondContact O-CA 3.13Å; P324-T327 VanDerWaalsContact O-CB 3.31Å; P324-T327 WeakPolarHBondContact O-CB 3.43Å; P324-T327 PolarHBondContact O-N 3.21Å; P324-T328 WeakPolarHBondContact O-CG2 3.28Å; P324-T328 PolarHBondContact O-N 3.46Å |
| 325 | V | 97.6 | Very high | 96 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -45.1 | -174.6 | 179 | 0 | 0 | 0 | 0 | 112.6 | Y313 L314 N317 F318 C322 P323 T327 T328 L329 F379 | Y313-V325 HydrophobicContact CE1-CG1 4.48Å; L314-V325 HydrophobicContact CD2-CG1 3.7Å; N317-V325 HydrophobicContact CB-CG1 4.46Å; N317-V325 HydrophobicContact CB-CG2 3.38Å; F318-V325 HydrophobicContact CE1-CG1 4.29Å; C322-V325 HydrophobicContact CB-CG2 4.08Å; C322-V325 VanDerWaalsContact O-CG2 3.25Å; C322-V325 WeakPolarHBondContact O-CG2 3.27Å; P323-V325 VanDerWaalsContact C-N 3.32Å; P323-V325 PolarHBondContact O-N 3.09Å; V325-T327 VanDerWaalsContact C-N 3.32Å; V325-T327 PolarHBondContact O-N 3.19Å; V325-T328 PolarHBondContact O-N 2.87Å; V325-T328 PolarHBondContact O-OG1 2.87Å; V325-L329 HydrophobicContact CG1-CD1 4.45Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 2.88Å; V325-F379 HydrophobicContact CB-CD2 4.25Å; V325-F379 HydrophobicContact CG1-CD2 3.87Å; V325-F379 HydrophobicContact CG1-CE2 3.84Å |
| 326 | F | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 173.8 | 177.6 | -91.3 | 0 | 0 | 0 | 111.7 | P324 T328 L329 K330 Y333 F379 Q382 H383 M386 | P324-F326 VanDerWaalsContact C-N 3.35Å; P324-F326 PolarHBondContact O-N 2.9Å; F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 2.9Å; F326-L329 CarbonylContact O-C 3.14Å; F326-L329 PolarHBondContact O-N 3.16Å; F326-L329 VanDerWaalsContact O-N 3.12Å; F326-K330 HydrophobicContact CE1-CG 4.42Å; F326-K330 PolarHBondContact O-N 2.84Å; F326-Y333 HydrophobicContact CD2-CE2 4.47Å; F326-Y333 AromaticContact CE2-CE1 3.94Å; F326-Y333 HydrophobicContact CE2-CE1 3.94Å; F326-Y333 AromaticContact CE2-CE2 3.88Å; F326-Y333 HydrophobicContact CE2-CE2 3.88Å; F326-Y333 AromaticContact CE2-CZ 3.47Å; F326-Y333 VanDerWaalsContact CE2-CZ 3.47Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.23Å; F326-Y333 HydrophobicContact CZ-CE1 4.45Å; F326-Y333 HydrophobicContact CZ-CE2 4.47Å; F326-F379 HydrophobicContact CB-CD2 3.93Å; F326-F379 HydrophobicContact CB-CE2 4.02Å; F326-F379 HydrophobicContact CD2-CE2 4.3Å; F326-F379 HydrophobicContact CD2-CZ 4.37Å; F326-Q382 HydrophobicContact CB-CB 3.98Å; F326-Q382 HydrophobicContact CB-CG 4.43Å; F326-Q382 HydrophobicContact CD1-CB 3.75Å; F326-Q382 HydrophobicContact CD1-CG 4.44Å; F326-Q382 HydrophobicContact CD2-CB 3.58Å; F326-Q382 HydrophobicContact CE1-CB 4.19Å; F326-Q382 HydrophobicContact CE2-CB 4.03Å; F326-Q382 WeakPolarHBondContact CE2-O 3.43Å; F326-Q382 HydrophobicContact CG-CB 3.45Å; F326-Q382 VanDerWaalsContact CG-CB 3.45Å; F326-Q382 HydrophobicContact CG-CG 4.29Å; F326-Q382 HydrophobicContact CZ-CB 4.33Å; F326-Q382 WeakPolarHBondContact CZ-O 3.27Å; F326-H383 HydrophobicContact CE2-CB 4.48Å; F326-M386 HydrophobicContact CE2-CB 4.19Å; F326-M386 HydrophobicContact CZ-CB 3.61Å; F326-M386 HydrophobicContact CZ-CG 3.91Å; F326-M386 HydrophobicContact CZ-SD 4.49Å |
| 327 | T | 96.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -38.3 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | P324 V325 L329 K330 | P324-T327 CarbonylContact O-C 3.07Å; P324-T327 WeakPolarHBondContact O-CA 3.13Å; P324-T327 VanDerWaalsContact O-CB 3.31Å; P324-T327 WeakPolarHBondContact O-CB 3.43Å; P324-T327 PolarHBondContact O-N 3.21Å; V325-T327 VanDerWaalsContact C-N 3.32Å; V325-T327 PolarHBondContact O-N 3.19Å; T327-L329 VanDerWaalsContact C-N 3.34Å; T327-K330 PolarHBondContact O-N 3.07Å |
| 328 | T | 96.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 176.1 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | R295 Y313 P324 V325 F326 | R295-T328 PolarHBondContact NE-O 2.85Å; R295-T328 PolarHBondContact NH2-O 3.25Å; Y313-T328 PolarHBondContact OH-OG1 3.24Å; P324-T328 WeakPolarHBondContact O-CG2 3.28Å; P324-T328 PolarHBondContact O-N 3.46Å; V325-T328 PolarHBondContact O-N 2.87Å; V325-T328 PolarHBondContact O-OG1 2.87Å; F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 2.9Å |
| 329 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -87.1 | -7.2 | -178.2 | -60.2 | -178.5 | 0 | 0 | 0 | 114.1 | L298 L310 Y313 L314 V325 F326 T327 S331 L332 F379 | L298-L329 HydrophobicContact CD1-CD2 3.62Å; L310-L329 HydrophobicContact CD1-CD1 3.89Å; L310-L329 HydrophobicContact CD1-CD2 4.42Å; Y313-L329 HydrophobicContact CD1-CD2 4.25Å; Y313-L329 HydrophobicContact CE1-CD1 4.41Å; Y313-L329 HydrophobicContact CE1-CD2 3.91Å; Y313-L329 HydrophobicContact CE1-CG 4.22Å; L314-L329 HydrophobicContact CD2-CD1 3.72Å; V325-L329 HydrophobicContact CG1-CD1 4.45Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 2.88Å; F326-L329 CarbonylContact O-C 3.14Å; F326-L329 PolarHBondContact O-N 3.16Å; F326-L329 VanDerWaalsContact O-N 3.12Å; T327-L329 VanDerWaalsContact C-N 3.34Å; L329-S331 PolarHBondContact O-N 3.49Å; L329-L332 HydrophobicContact CB-CD1 4.34Å; L329-L332 HydrophobicContact CD2-CD1 3.76Å; L329-L332 VanDerWaalsContact O-CB 3.26Å; L329-L332 WeakPolarHBondContact O-CB 3.08Å; L329-L332 WeakPolarHBondContact O-CG 3.38Å; L329-L332 PolarHBondContact O-N 2.97Å; L329-F379 HydrophobicContact CD1-CE2 4.02Å; L329-F379 HydrophobicContact CD1-CZ 4.09Å |
| 330 | K | 96.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 58.8 Ų | 58.8 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -52.9 | -34.8 | -176.7 | -169.7 | -176.4 | 179.4 | -169.2 | 0 | 114 | F326 T327 L332 Y333 | F326-K330 HydrophobicContact CE1-CG 4.42Å; F326-K330 PolarHBondContact O-N 2.84Å; T327-K330 PolarHBondContact O-N 3.07Å; K330-L332 PolarHBondContact O-N 3.1Å; K330-Y333 WeakPolarHBondContact O-CB 3.46Å; K330-Y333 PolarHBondContact O-N 2.62Å |
| 331 | S | 96.1 | Very high | 96.4 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.1 | 178.4 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | R295 L329 Y333 | R295-S331 PolarHBondContact NH2-OG 2.89Å; L329-S331 PolarHBondContact O-N 3.49Å; S331-Y333 VanDerWaalsContact C-N 3.29Å |
| 332 | L | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -78.7 | -15.1 | 178.3 | -52.5 | -178.6 | 0 | 0 | 0 | 112.3 | L298 F306 L329 K330 G334 D335 K338 | L298-L332 HydrophobicContact CB-CD1 3.99Å; L298-L332 WeakPolarHBondContact O-CD2 3.34Å; F306-L332 HydrophobicContact CE2-CD1 4.05Å; F306-L332 HydrophobicContact CZ-CD1 4.19Å; L329-L332 HydrophobicContact CB-CD1 4.34Å; L329-L332 HydrophobicContact CD2-CD1 3.76Å; L329-L332 VanDerWaalsContact O-CB 3.26Å; L329-L332 WeakPolarHBondContact O-CB 3.08Å; L329-L332 WeakPolarHBondContact O-CG 3.38Å; L329-L332 PolarHBondContact O-N 2.97Å; K330-L332 PolarHBondContact O-N 3.1Å; L332-G334 PolarHBondContact O-N 3.15Å; L332-G334 VanDerWaalsContact O-N 3.14Å; L332-D335 PolarHBondContact O-N 3.29Å; L332-K338 HydrophobicContact CB-CD 4.44Å; L332-K338 HydrophobicContact CD2-CD 4.41Å |
| 333 | Y | 96.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -73 | -2.7 | -177.9 | -78.2 | -113.4 | 0 | 0 | 0 | 113.8 | F326 K330 S331 D335 V339 I342 H383 M386 I387 | F326-Y333 HydrophobicContact CD2-CE2 4.47Å; F326-Y333 AromaticContact CE2-CE1 3.94Å; F326-Y333 HydrophobicContact CE2-CE1 3.94Å; F326-Y333 AromaticContact CE2-CE2 3.88Å; F326-Y333 HydrophobicContact CE2-CE2 3.88Å; F326-Y333 AromaticContact CE2-CZ 3.47Å; F326-Y333 VanDerWaalsContact CE2-CZ 3.47Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.23Å; F326-Y333 HydrophobicContact CZ-CE1 4.45Å; F326-Y333 HydrophobicContact CZ-CE2 4.47Å; K330-Y333 WeakPolarHBondContact O-CB 3.46Å; K330-Y333 PolarHBondContact O-N 2.62Å; S331-Y333 VanDerWaalsContact C-N 3.29Å; Y333-D335 VanDerWaalsContact C-N 3.27Å; Y333-V339 HydrophobicContact CD1-CG1 4.28Å; Y333-V339 HydrophobicContact CD1-CG2 3.78Å; Y333-V339 HydrophobicContact CE1-CG1 4.23Å; Y333-V339 HydrophobicContact CE1-CG2 4.33Å; Y333-V339 HydrophobicContact CG-CG2 3.88Å; Y333-I342 HydrophobicContact CE2-CD1 4.3Å; Y333-H383 AromaticContact CE1-ND1 3.47Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.41Å; Y333-H383 AromaticContact CZ-ND1 3.59Å; Y333-H383 PolarHBondContact OH-ND1 3.35Å; Y333-M386 HydrophobicContact CD1-CB 4.18Å; Y333-M386 HydrophobicContact CD1-CG 3.58Å; Y333-M386 HydrophobicContact CE1-CB 4.21Å; Y333-M386 HydrophobicContact CE1-CG 4.1Å; Y333-M386 HydrophobicContact CG-CG 4.13Å; Y333-I387 HydrophobicContact CD1-CG2 4.42Å; Y333-I387 HydrophobicContact CE1-CG2 4.37Å |
| 334 | G | 93.7 | Very high | 96.9 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L332 | L332-G334 PolarHBondContact O-N 3.15Å; L332-G334 VanDerWaalsContact O-N 3.14Å |
| 335 | D | 96.1 | Very high | 97 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -106.2 | 108.4 | -179.6 | -178 | -20 | 0 | 0 | 0 | 109.8 | L332 Y333 E337 K338 V339 | L332-D335 PolarHBondContact O-N 3.29Å; Y333-D335 VanDerWaalsContact C-N 3.27Å; D335-E337 VanDerWaalsContact C-N 3.27Å; D335-E337 PolarHBondContact O-N 3.24Å; D335-E337 WeakPolarHBondContact OD1-CB 3.17Å; D335-E337 PolarHBondContact OD1-N 3.42Å; D335-K338 HydrophobicContact CB-CB 4.16Å; D335-K338 HydrophobicContact CB-CD 4.06Å; D335-K338 HydrophobicContact CB-CG 4.13Å; D335-K338 PolarHBondContact O-N 2.93Å; D335-K338 PolarHBondContact OD1-N 2.98Å; D335-K338 WeakPolarHBondContact OD2-CD 3.45Å; D335-K338 WeakPolarHBondContact OD2-CE 3.11Å; D335-K338 WeakPolarHBondContact OD2-CG 3.34Å; D335-V339 WeakPolarHBondContact O-CG2 3.45Å; D335-V339 PolarHBondContact O-N 3.02Å; D335-V339 VanDerWaalsContact O-N 3.1Å | ||
| 336 | K | 94.9 | Very high | 97 | Very high | 187 Ų | 187 | 53.5 Ų | 53.5 | 81% | 0.813 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.7 | -31.1 | -175.9 | -68.5 | -172.7 | 177.6 | -177.2 | 0 | 112.9 | V339 A340 | K336-V339 PolarHBondContact O-N 3.06Å; K336-A340 PolarHBondContact O-N 3.45Å |
| 337 | E | 96.4 | Very high | 97 | Very high | 148 Ų | 148 | 55.5 Ų | 55.5 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.5 | -42.7 | 178.9 | -62.6 | -178.8 | 179.9 | 0 | 0 | 110.2 | D335 V339 A340 I341 | D335-E337 VanDerWaalsContact C-N 3.27Å; D335-E337 PolarHBondContact O-N 3.24Å; D335-E337 WeakPolarHBondContact OD1-CB 3.17Å; D335-E337 PolarHBondContact OD1-N 3.42Å; E337-V339 VanDerWaalsContact C-N 3.34Å; E337-V339 PolarHBondContact O-N 3.22Å; E337-A340 PolarHBondContact O-N 2.82Å; E337-I341 WeakPolarHBondContact O-CG1 3.33Å; E337-I341 PolarHBondContact O-N 2.94Å; E337-I341 VanDerWaalsContact O-N 3.1Å |
| 338 | K | 97.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 174.6 | -69.5 | -176.6 | -177.2 | -168.8 | 0 | 112.2 | L298 N299 L301 F306 L332 D335 A340 I341 I342 | L298-K338 PolarHBondContact O-NZ 3.14Å; N299-K338 PolarHBondContact O-NZ 3.08Å; L301-K338 WeakPolarHBondContact O-CE 3.19Å; L301-K338 PolarHBondContact O-NZ 3.44Å; F306-K338 HydrophobicContact CD1-CG 4.31Å; F306-K338 HydrophobicContact CD2-CD 4.32Å; F306-K338 HydrophobicContact CE1-CB 3.94Å; F306-K338 HydrophobicContact CE1-CD 4.48Å; F306-K338 HydrophobicContact CE1-CG 3.86Å; F306-K338 HydrophobicContact CE2-CD 3.81Å; F306-K338 HydrophobicContact CE2-CG 4.09Å; F306-K338 HydrophobicContact CZ-CB 3.81Å; F306-K338 HydrophobicContact CZ-CD 3.91Å; F306-K338 HydrophobicContact CZ-CG 3.74Å; L332-K338 HydrophobicContact CB-CD 4.44Å; L332-K338 HydrophobicContact CD2-CD 4.41Å; D335-K338 HydrophobicContact CB-CB 4.16Å; D335-K338 HydrophobicContact CB-CD 4.06Å; D335-K338 HydrophobicContact CB-CG 4.13Å; D335-K338 PolarHBondContact O-N 2.93Å; D335-K338 PolarHBondContact OD1-N 2.98Å; D335-K338 WeakPolarHBondContact OD2-CD 3.45Å; D335-K338 WeakPolarHBondContact OD2-CE 3.11Å; D335-K338 WeakPolarHBondContact OD2-CG 3.34Å; K338-A340 VanDerWaalsContact C-N 3.34Å; K338-I341 PolarHBondContact O-N 3.41Å; K338-I342 WeakPolarHBondContact O-CB 3.03Å; K338-I342 WeakPolarHBondContact O-CD1 3.36Å; K338-I342 WeakPolarHBondContact O-CG1 3.49Å; K338-I342 PolarHBondContact O-N 3.45Å |
| 339 | V | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | Y333 D335 K336 E337 I341 I342 E343 I387 | Y333-V339 HydrophobicContact CD1-CG1 4.28Å; Y333-V339 HydrophobicContact CD1-CG2 3.78Å; Y333-V339 HydrophobicContact CE1-CG1 4.23Å; Y333-V339 HydrophobicContact CE1-CG2 4.33Å; Y333-V339 HydrophobicContact CG-CG2 3.88Å; D335-V339 WeakPolarHBondContact O-CG2 3.45Å; D335-V339 PolarHBondContact O-N 3.02Å; D335-V339 VanDerWaalsContact O-N 3.1Å; K336-V339 PolarHBondContact O-N 3.06Å; E337-V339 VanDerWaalsContact C-N 3.34Å; E337-V339 PolarHBondContact O-N 3.22Å; V339-I341 PolarHBondContact O-N 3.45Å; V339-I342 PolarHBondContact O-N 3.32Å; V339-E343 WeakPolarHBondContact O-CB 3.46Å; V339-E343 PolarHBondContact O-N 3.36Å; V339-I387 HydrophobicContact CG1-CG2 3.92Å |
| 340 | A | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K336 E337 K338 I342 E343 E344 | K336-A340 PolarHBondContact O-N 3.45Å; E337-A340 PolarHBondContact O-N 2.82Å; K338-A340 VanDerWaalsContact C-N 3.34Å; A340-I342 PolarHBondContact O-N 2.86Å; A340-E343 PolarHBondContact O-N 3.26Å; A340-E344 WeakPolarHBondContact O-CB 3.18Å; A340-E344 PolarHBondContact O-N 3.34Å |
| 341 | I | 98.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176 | -64.7 | 167.3 | 0 | 0 | 0 | 111.2 | F306 R307 L310 E337 K338 V339 L345 | F306-I341 HydrophobicContact CD1-CB 4.42Å; F306-I341 HydrophobicContact CD1-CD1 3.96Å; F306-I341 HydrophobicContact CD1-CG2 4.07Å; F306-I341 HydrophobicContact CE1-CB 4.18Å; F306-I341 HydrophobicContact CE1-CD1 4.39Å; F306-I341 HydrophobicContact CE1-CG2 4.04Å; R307-I341 HydrophobicContact CB-CG2 4.02Å; R307-I341 HydrophobicContact CG-CG2 3.98Å; L310-I341 HydrophobicContact CD2-CG2 4.4Å; E337-I341 WeakPolarHBondContact O-CG1 3.33Å; E337-I341 PolarHBondContact O-N 2.94Å; E337-I341 VanDerWaalsContact O-N 3.1Å; K338-I341 PolarHBondContact O-N 3.41Å; V339-I341 PolarHBondContact O-N 3.45Å; I341-L345 WeakPolarHBondContact O-CB 3.07Å; I341-L345 PolarHBondContact O-N 2.86Å |
| 342 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.5 | -71.8 | 161.6 | 0 | 0 | 0 | 110.3 | F306 L310 Y333 K338 V339 A340 V346 F379 | F306-I342 HydrophobicContact CZ-CD1 4.49Å; F306-I342 HydrophobicContact CZ-CG1 4.47Å; L310-I342 HydrophobicContact CD1-CG1 4.42Å; L310-I342 HydrophobicContact CD2-CB 4.39Å; L310-I342 HydrophobicContact CD2-CG1 3.48Å; L310-I342 VanDerWaalsContact CD2-CG1 3.48Å; Y333-I342 HydrophobicContact CE2-CD1 4.3Å; K338-I342 WeakPolarHBondContact O-CB 3.03Å; K338-I342 WeakPolarHBondContact O-CD1 3.36Å; K338-I342 WeakPolarHBondContact O-CG1 3.49Å; K338-I342 PolarHBondContact O-N 3.45Å; V339-I342 PolarHBondContact O-N 3.32Å; A340-I342 PolarHBondContact O-N 2.86Å; I342-V346 HydrophobicContact CG2-CG2 4.33Å; I342-V346 WeakPolarHBondContact O-CB 3.41Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 2.98Å; I342-F379 HydrophobicContact CG2-CE1 3.66Å; I342-F379 HydrophobicContact CG2-CZ 3.81Å |
| 343 | E | 98.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.9 | -54.6 | -179.7 | -171.3 | 179.3 | 139.6 | 0 | 0 | 110.9 | V339 A340 L345 V346 V347 H383 | V339-E343 WeakPolarHBondContact O-CB 3.46Å; V339-E343 PolarHBondContact O-N 3.36Å; A340-E343 PolarHBondContact O-N 3.26Å; E343-L345 VanDerWaalsContact C-N 3.3Å; E343-L345 PolarHBondContact O-N 2.97Å; E343-V346 PolarHBondContact O-N 3.2Å; E343-V347 HydrophobicContact CG-CG2 4.35Å; E343-V347 WeakPolarHBondContact O-CB 3.48Å; E343-V347 VanDerWaalsContact O-CG2 3.27Å; E343-V347 WeakPolarHBondContact O-CG2 3.44Å; E343-V347 PolarHBondContact O-N 3.48Å; E343-H383 WeakPolarHBondContact CG-NE2 3.26Å; E343-H383 IonicContact OE2-CE1 2.98Å; E343-H383 IonicContact OE2-NE2 3.37Å; E343-H383 PolarHBondContact OE2-NE2 3.27Å |
| 344 | E | 97.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 53 Ų | 53 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.1 | -47.2 | -179.8 | -169.3 | -158.7 | 147.2 | 0 | 0 | 111.4 | R307 A340 S348 | R307-E344 IonicContact CZ-OE1 3.8Å; R307-E344 IonicContact CZ-OE2 3.13Å; R307-E344 VanDerWaalsContact NH1-CD 3.27Å; R307-E344 IonicContact NH1-OE1 3.86Å; R307-E344 PolarHBondContact NH1-OE1 2.88Å; R307-E344 VanDerWaalsContact NH1-OE1 3.1Å; R307-E344 IonicContact NH1-OE2 2.82Å; R307-E344 PolarHBondContact NH1-OE2 3.23Å; R307-E344 VanDerWaalsContact NH2-CD 3.33Å; R307-E344 IonicContact NH2-OE1 3.55Å; R307-E344 PolarHBondContact NH2-OE1 3.44Å; R307-E344 IonicContact NH2-OE2 3.75Å; A340-E344 WeakPolarHBondContact O-CB 3.18Å; A340-E344 PolarHBondContact O-N 3.34Å; E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 2.9Å |
| 345 | L | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | -177.9 | -175 | 62.3 | 0 | 0 | 0 | 111.9 | L310 D311 L314 I341 E343 S348 Y349 | L310-L345 HydrophobicContact CD2-CD2 4.02Å; L310-L345 HydrophobicContact CG-CD2 4.13Å; D311-L345 HydrophobicContact CB-CD1 4.47Å; D311-L345 HydrophobicContact CB-CD2 3.98Å; L314-L345 HydrophobicContact CD1-CD2 4.1Å; I341-L345 WeakPolarHBondContact O-CB 3.07Å; I341-L345 PolarHBondContact O-N 2.86Å; E343-L345 VanDerWaalsContact C-N 3.3Å; E343-L345 PolarHBondContact O-N 2.97Å; L345-S348 WeakPolarHBondContact O-CB 3.49Å; L345-S348 PolarHBondContact O-N 3.36Å; L345-S348 PolarHBondContact O-OG 2.87Å; L345-Y349 HydrophobicContact CD1-CE1 3.74Å; L345-Y349 WeakPolarHBondContact CD1-OH 3.2Å; L345-Y349 WeakPolarHBondContact CD2-OH 3.41Å; L345-Y349 HydrophobicContact CG-CE1 4.07Å; L345-Y349 HydrophobicContact CG-CE2 3.97Å; L345-Y349 WeakPolarHBondContact CG-OH 3.08Å; L345-Y349 WeakPolarHBondContact O-CD1 3.4Å; L345-Y349 PolarHBondContact O-N 2.93Å; L345-Y349 VanDerWaalsContact O-N 3.1Å |
| 346 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.1 | -35.7 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | L314 F318 I342 E343 S348 Y349 E350 V376 F379 L380 | L314-V346 HydrophobicContact CD1-CG2 3.74Å; F318-V346 HydrophobicContact CE2-CG1 4.4Å; F318-V346 HydrophobicContact CE2-CG2 4.3Å; F318-V346 HydrophobicContact CZ-CG1 4.35Å; F318-V346 HydrophobicContact CZ-CG2 4.45Å; I342-V346 HydrophobicContact CG2-CG2 4.33Å; I342-V346 WeakPolarHBondContact O-CB 3.41Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 2.98Å; E343-V346 PolarHBondContact O-N 3.2Å; V346-S348 VanDerWaalsContact C-N 3.3Å; V346-S348 PolarHBondContact O-N 3.18Å; V346-Y349 HydrophobicContact CG2-CD2 4.46Å; V346-Y349 WeakPolarHBondContact O-CB 3.48Å; V346-Y349 PolarHBondContact O-N 3.34Å; V346-E350 PolarHBondContact O-N 3.04Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; V346-F379 HydrophobicContact CB-CD1 4.49Å; V346-F379 HydrophobicContact CG1-CD1 3.94Å; V346-F379 HydrophobicContact CG2-CD1 4.13Å; V346-F379 HydrophobicContact CG2-CE1 3.93Å; V346-L380 HydrophobicContact CB-CD2 4.07Å; V346-L380 HydrophobicContact CG1-CD1 4.28Å; V346-L380 HydrophobicContact CG1-CD2 3.67Å; V346-L380 HydrophobicContact CG1-CG 3.7Å |
| 347 | V | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 171.9 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | E343 Y349 E350 T351 L380 | E343-V347 HydrophobicContact CG-CG2 4.35Å; E343-V347 WeakPolarHBondContact O-CB 3.48Å; E343-V347 VanDerWaalsContact O-CG2 3.27Å; E343-V347 WeakPolarHBondContact O-CG2 3.44Å; E343-V347 PolarHBondContact O-N 3.48Å; V347-Y349 VanDerWaalsContact C-N 3.31Å; V347-Y349 PolarHBondContact O-N 3.36Å; V347-E350 PolarHBondContact O-N 3.14Å; V347-T351 PolarHBondContact O-N 3.45Å; V347-T351 PolarHBondContact O-OG1 3.24Å; V347-L380 HydrophobicContact CG2-CD2 3.87Å |
| 348 | S | 97.5 | Very high | 97 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -40 | 173.4 | 83.5 | 0 | 0 | 0 | 0 | 112 | E344 L345 V346 T351 S352 | E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 2.9Å; L345-S348 WeakPolarHBondContact O-CB 3.49Å; L345-S348 PolarHBondContact O-N 3.36Å; L345-S348 PolarHBondContact O-OG 2.87Å; V346-S348 VanDerWaalsContact C-N 3.3Å; V346-S348 PolarHBondContact O-N 3.18Å; S348-T351 PolarHBondContact O-N 2.98Å; S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 3.14Å |
| 349 | Y | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.2 | -59.7 | -25.7 | 0 | 0 | 0 | 111.9 | D311 L314 F318 L345 V346 V347 T351 S352 L353 F359 | D311-Y349 VanDerWaalsContact CA-OH 3.3Å; D311-Y349 WeakPolarHBondContact CA-OH 3.39Å; D311-Y349 VanDerWaalsContact CG-OH 3.24Å; D311-Y349 PolarHBondContact OD1-OH 3.03Å; L314-Y349 HydrophobicContact CB-CE2 4.03Å; L314-Y349 HydrophobicContact CD1-CE2 4.19Å; F318-Y349 HydrophobicContact CD2-CD2 4.17Å; F318-Y349 HydrophobicContact CD2-CE2 4.35Å; F318-Y349 HydrophobicContact CE2-CD2 4Å; F318-Y349 HydrophobicContact CE2-CE2 4.17Å; L345-Y349 HydrophobicContact CD1-CE1 3.74Å; L345-Y349 WeakPolarHBondContact CD1-OH 3.2Å; L345-Y349 WeakPolarHBondContact CD2-OH 3.41Å; L345-Y349 HydrophobicContact CG-CE1 4.07Å; L345-Y349 HydrophobicContact CG-CE2 3.97Å; L345-Y349 WeakPolarHBondContact CG-OH 3.08Å; L345-Y349 WeakPolarHBondContact O-CD1 3.4Å; L345-Y349 PolarHBondContact O-N 2.93Å; L345-Y349 VanDerWaalsContact O-N 3.1Å; V346-Y349 HydrophobicContact CG2-CD2 4.46Å; V346-Y349 WeakPolarHBondContact O-CB 3.48Å; V346-Y349 PolarHBondContact O-N 3.34Å; V347-Y349 VanDerWaalsContact C-N 3.31Å; V347-Y349 PolarHBondContact O-N 3.36Å; Y349-T351 VanDerWaalsContact C-N 3.31Å; Y349-T351 PolarHBondContact O-N 3.28Å; Y349-S352 PolarHBondContact O-N 3.06Å; Y349-L353 WeakPolarHBondContact O-CB 3.19Å; Y349-L353 WeakPolarHBondContact O-CD1 3.18Å; Y349-L353 WeakPolarHBondContact O-CG 3.08Å; Y349-L353 PolarHBondContact O-N 3.49Å; Y349-F359 HydrophobicContact CD1-CB 3.97Å; Y349-F359 AromaticContact CD1-CD1 3.84Å; Y349-F359 HydrophobicContact CD1-CD1 3.84Å; Y349-F359 HydrophobicContact CD1-CG 4.38Å; Y349-F359 HydrophobicContact CD2-CD1 4.01Å; Y349-F359 HydrophobicContact CD2-CE1 4.37Å; Y349-F359 HydrophobicContact CE1-CB 4.22Å; Y349-F359 HydrophobicContact CE1-CD1 4.24Å; Y349-F359 HydrophobicContact CE2-CD1 4.41Å; Y349-F359 AromaticContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CE1 4.45Å |
| 350 | E | 98 | Very high | 96.5 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 179.8 | -164 | -162.5 | -171.2 | 0 | 0 | 111.1 | V346 V347 K354 L373 V376 Q377 L380 H396 | V346-E350 PolarHBondContact O-N 3.04Å; V347-E350 PolarHBondContact O-N 3.14Å; E350-K354 HydrophobicContact CG-CD 4.35Å; E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 VanDerWaalsContact O-CG 3.27Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 2.9Å; E350-K354 VanDerWaalsContact OE1-CE 3.23Å; E350-K354 WeakPolarHBondContact OE1-CE 3.47Å; E350-K354 IonicContact OE1-NZ 2.94Å; E350-K354 PolarHBondContact OE1-NZ 3.44Å; E350-K354 IonicContact OE2-NZ 3.88Å; E350-L373 HydrophobicContact CG-CD1 3.73Å; E350-V376 HydrophobicContact CB-CG1 3.78Å; E350-V376 HydrophobicContact CG-CG1 4.28Å; E350-Q377 HydrophobicContact CG-CG 4.2Å; E350-Q377 WeakPolarHBondContact OE1-CG 3.42Å; E350-Q377 PolarHBondContact OE1-NE2 2.91Å; E350-Q377 VanDerWaalsContact OE1-NE2 3.09Å; E350-L380 HydrophobicContact CB-CD1 3.99Å; E350-L380 HydrophobicContact CG-CD1 4.23Å; E350-H396 IonicContact OE1-CE1 3.06Å; E350-H396 IonicContact OE1-ND1 2.6Å; E350-H396 PolarHBondContact OE1-ND1 2.74Å; E350-H396 IonicContact OE2-CE1 2.67Å; E350-H396 PolarHBondContact OE2-CE1 2.78Å; E350-H396 VanDerWaalsContact OE2-CE1 3.24Å; E350-H396 IonicContact OE2-ND1 3.74Å |
| 351 | T | 97.3 | Very high | 96.1 | Very high | 88 Ų | 88 | 50 Ų | 50 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | V347 S348 Y349 S355 | V347-T351 PolarHBondContact O-N 3.45Å; V347-T351 PolarHBondContact O-OG1 3.24Å; S348-T351 PolarHBondContact O-N 2.98Å; Y349-T351 VanDerWaalsContact C-N 3.31Å; Y349-T351 PolarHBondContact O-N 3.28Å; T351-S355 PolarHBondContact O-N 2.9Å; T351-S355 PolarHBondContact O-OG 3.42Å |
| 352 | S | 96.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 179.8 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | S348 Y349 K354 S355 C356 M358 F359 S360 | S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 3.14Å; Y349-S352 PolarHBondContact O-N 3.06Å; S352-K354 VanDerWaalsContact C-N 3.33Å; S352-K354 PolarHBondContact O-N 2.92Å; S352-S355 PolarHBondContact O-N 2.88Å; S352-S355 PolarHBondContact O-OG 3.03Å; S352-C356 PolarHBondContact O-N 3.31Å; S352-C356 PolarHBondContact O-SG 3.44Å; S352-M358 CarbonylContact C-O 3.59Å; S352-M358 VanDerWaalsContact C-O 3.31Å; S352-M358 VanDerWaalsContact CB-O 3.22Å; S352-M358 WeakPolarHBondContact CB-O 3.4Å; S352-M358 PolarHBondContact OG-O 3.36Å; S352-F359 VanDerWaalsContact CB-O 3.32Å; S352-F359 WeakPolarHBondContact CB-O 3.22Å; S352-F359 PolarHBondContact OG-O 2.7Å; S352-S360 WeakPolarHBondContact OG-CA 3.22Å; S352-S360 PolarHBondContact OG-N 2.88Å |
| 353 | L | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -179.5 | -73.4 | 165.7 | 0 | 0 | 0 | 112.4 | Y349 S355 R357 M358 F359 E368 T372 L373 V376 | Y349-L353 WeakPolarHBondContact O-CB 3.19Å; Y349-L353 WeakPolarHBondContact O-CD1 3.18Å; Y349-L353 WeakPolarHBondContact O-CG 3.08Å; Y349-L353 PolarHBondContact O-N 3.49Å; L353-S355 VanDerWaalsContact C-N 3.31Å; L353-R357 WeakPolarHBondContact O-CA 3.43Å; L353-R357 PolarHBondContact O-N 3.27Å; L353-R357 VanDerWaalsContact O-N 3.1Å; L353-M358 PolarHBondContact N-O 3.34Å; L353-F359 HydrophobicContact CD1-CD1 4.29Å; L353-F359 HydrophobicContact CD1-CE1 4.35Å; L353-E368 HydrophobicContact CD2-CB 3.87Å; L353-E368 HydrophobicContact CD2-CG 4.17Å; L353-T372 HydrophobicContact CD1-CG2 4.01Å; L353-T372 HydrophobicContact CD2-CG2 4.19Å; L353-L373 HydrophobicContact CB-CB 4.34Å; L353-L373 HydrophobicContact CB-CD1 4.04Å; L353-L373 HydrophobicContact CD1-CB 4.49Å; L353-V376 HydrophobicContact CD1-CB 4.48Å; L353-V376 HydrophobicContact CD1-CG2 3.86Å |
| 354 | K | 95.3 | Very high | 94.6 | Very high | 124 Ų | 124 | 62.2 Ų | 62.2 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 172.3 | -75.9 | 175.1 | -177.8 | 169.6 | 0 | 112.2 | E350 S352 L373 | E350-K354 HydrophobicContact CG-CD 4.35Å; E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 VanDerWaalsContact O-CG 3.27Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 2.9Å; E350-K354 VanDerWaalsContact OE1-CE 3.23Å; E350-K354 WeakPolarHBondContact OE1-CE 3.47Å; E350-K354 IonicContact OE1-NZ 2.94Å; E350-K354 PolarHBondContact OE1-NZ 3.44Å; E350-K354 IonicContact OE2-NZ 3.88Å; S352-K354 VanDerWaalsContact C-N 3.33Å; S352-K354 PolarHBondContact O-N 2.92Å; K354-L373 HydrophobicContact CG-CD1 4.17Å; K354-L373 HydrophobicContact CG-CD2 3.94Å |
| 355 | S | 94.8 | Very high | 93.9 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 54% | 0.538 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -84.9 | -43.2 | -175 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | T351 S352 L353 | T351-S355 PolarHBondContact O-N 2.9Å; T351-S355 PolarHBondContact O-OG 3.42Å; S352-S355 PolarHBondContact O-N 2.88Å; S352-S355 PolarHBondContact O-OG 3.03Å; L353-S355 VanDerWaalsContact C-N 3.31Å |
| 356 | C | 92.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -140.1 | 7.3 | -169.9 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | S352 M358 | S352-C356 PolarHBondContact O-N 3.31Å; S352-C356 PolarHBondContact O-SG 3.44Å; C356-M358 PolarHBondContact O-N 3.37Å |
| 357 | R | 94.3 | Very high | 93.1 | Very high | 157 Ų | 157 | 74.4 Ų | 74.4 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 56.2 | 30.7 | -179.2 | -56.5 | 174 | 178.4 | -178.2 | -1 | 114.1 | L353 E367 E368 | L353-R357 WeakPolarHBondContact O-CA 3.43Å; L353-R357 PolarHBondContact O-N 3.27Å; L353-R357 VanDerWaalsContact O-N 3.1Å; R357-E367 HydrophobicContact CB-CB 4.11Å; R357-E367 HydrophobicContact CB-CG 4.22Å; R357-E367 VanDerWaalsContact CD-OE2 3.31Å; R357-E367 WeakPolarHBondContact CD-OE2 3.41Å; R357-E367 IonicContact NH1-OE2 3.81Å; R357-E367 PolarHBondContact NH1-OE2 3.24Å; R357-E368 WeakPolarHBondContact O-CB 3.19Å; R357-E368 PolarHBondContact O-N 3.01Å |
| 358 | M | 94.4 | Very high | 93 | Very high | 36 Ų | 36 | 74.3 Ų | 74.3 | 18% | 0.177 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -129.5 | 155.2 | 171.6 | -59.3 | -171.5 | -63.1 | 0 | 0 | 109.3 | S352 L353 C356 S360 D363 | S352-M358 CarbonylContact C-O 3.59Å; S352-M358 VanDerWaalsContact C-O 3.31Å; S352-M358 VanDerWaalsContact CB-O 3.22Å; S352-M358 WeakPolarHBondContact CB-O 3.4Å; S352-M358 PolarHBondContact OG-O 3.36Å; L353-M358 PolarHBondContact N-O 3.34Å; C356-M358 PolarHBondContact O-N 3.37Å; M358-S360 VanDerWaalsContact C-N 3.27Å; M358-S360 WeakPolarHBondContact CB-O 3.42Å; M358-S360 PolarHBondContact O-N 2.83Å; M358-D363 HydrophobicContact CB-CB 4.43Å; M358-D363 HydrophobicContact SD-CB 4.34Å |
| 359 | F | 94 | Very high | 92.9 | Very high | 7 Ų | 7 | 74.9 Ų | 74.9 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -66.8 | -30.6 | 177.5 | -72.5 | -77.7 | 0 | 0 | 0 | 112.3 | R315 F318 S319 Y349 S352 L353 D363 E368 T372 | R315-F359 HydrophobicContact CB-CD2 4.38Å; R315-F359 HydrophobicContact CB-CE2 4.09Å; R315-F359 HydrophobicContact CB-CZ 4.23Å; R315-F359 HydrophobicContact CG-CB 4.45Å; R315-F359 HydrophobicContact CG-CD1 4.11Å; R315-F359 HydrophobicContact CG-CD2 3.94Å; R315-F359 HydrophobicContact CG-CE1 4.3Å; R315-F359 HydrophobicContact CG-CE2 4.12Å; R315-F359 HydrophobicContact CG-CG 3.93Å; R315-F359 HydrophobicContact CG-CZ 4.29Å; R315-F359 VanDerWaalsContact CZ-CB 3.46Å; R315-F359 VanDerWaalsContact NH1-CB 3.28Å; F318-F359 HydrophobicContact CB-CE1 3.96Å; F318-F359 HydrophobicContact CB-CZ 3.91Å; F318-F359 HydrophobicContact CD2-CE1 4.11Å; S319-F359 VanDerWaalsContact OG-CE2 3.26Å; S319-F359 WeakPolarHBondContact OG-CE2 3.43Å; S319-F359 WeakPolarHBondContact OG-CZ 3.33Å; Y349-F359 HydrophobicContact CD1-CB 3.97Å; Y349-F359 AromaticContact CD1-CD1 3.84Å; Y349-F359 HydrophobicContact CD1-CD1 3.84Å; Y349-F359 HydrophobicContact CD1-CG 4.38Å; Y349-F359 HydrophobicContact CD2-CD1 4.01Å; Y349-F359 HydrophobicContact CD2-CE1 4.37Å; Y349-F359 HydrophobicContact CE1-CB 4.22Å; Y349-F359 HydrophobicContact CE1-CD1 4.24Å; Y349-F359 HydrophobicContact CE2-CD1 4.41Å; Y349-F359 AromaticContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CE1 4.45Å; S352-F359 VanDerWaalsContact CB-O 3.32Å; S352-F359 WeakPolarHBondContact CB-O 3.22Å; S352-F359 PolarHBondContact OG-O 2.7Å; L353-F359 HydrophobicContact CD1-CD1 4.29Å; L353-F359 HydrophobicContact CD1-CE1 4.35Å; F359-D363 PolarHBondContact N-OD2 2.97Å; F359-E368 HydrophobicContact CD2-CG 4.02Å; F359-E368 HydrophobicContact CE2-CG 3.82Å; F359-T372 HydrophobicContact CE1-CG2 3.69Å; F359-T372 HydrophobicContact CE2-CG2 4.03Å; F359-T372 HydrophobicContact CZ-CG2 3.32Å |
| 360 | S | 92.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 80.3 Ų | 80.3 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -138 | 150.7 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | S352 M358 N362 D363 | S352-S360 WeakPolarHBondContact OG-CA 3.22Å; S352-S360 PolarHBondContact OG-N 2.88Å; M358-S360 VanDerWaalsContact C-N 3.27Å; M358-S360 WeakPolarHBondContact CB-O 3.42Å; M358-S360 PolarHBondContact O-N 2.83Å; S360-N362 PolarHBondContact O-N 3.33Å; S360-N362 PolarHBondContact OG-N 3.45Å; S360-D363 WeakPolarHBondContact CB-OD1 3.42Å; S360-D363 PolarHBondContact N-OD2 2.76Å; S360-D363 WeakPolarHBondContact O-CB 3.46Å; S360-D363 PolarHBondContact O-N 2.98Å |
| 361 | Q | 88.1 | Confident | 92.6 | Very high | 145 Ų | 145 | 82.9 Ų | 82.9 | 68% | 0.678 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.8 | 173.5 | -65.6 | -178.6 | 2 | 0 | 0 | 113 | ||
| 362 | N | 88.9 | Confident | 92.6 | Very high | 136 Ų | 136 | 78.7 Ų | 78.7 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.4 | -179.5 | -57.3 | -27.8 | 0 | 0 | 0 | 113.1 | S360 | S360-N362 PolarHBondContact O-N 3.33Å; S360-N362 PolarHBondContact OG-N 3.45Å |
| 363 | D | 90.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | trans | -75.8 | 129.3 | 179.9 | -68.9 | -18.3 | 0 | 0 | 0 | 110.4 | R315 M358 F359 S360 G365 | R315-D363 IonicContact CZ-OD1 3.73Å; R315-D363 IonicContact CZ-OD2 3.51Å; R315-D363 VanDerWaalsContact NH1-CG 3.31Å; R315-D363 IonicContact NH1-OD1 3.44Å; R315-D363 PolarHBondContact NH1-OD1 3.23Å; R315-D363 IonicContact NH1-OD2 3.34Å; R315-D363 PolarHBondContact NH1-OD2 3.31Å; R315-D363 IonicContact NH2-OD1 3.71Å; R315-D363 PolarHBondContact NH2-OD1 3.09Å; R315-D363 IonicContact NH2-OD2 2.87Å; M358-D363 HydrophobicContact CB-CB 4.43Å; M358-D363 HydrophobicContact SD-CB 4.34Å; F359-D363 PolarHBondContact N-OD2 2.97Å; S360-D363 WeakPolarHBondContact CB-OD1 3.42Å; S360-D363 PolarHBondContact N-OD2 2.76Å; S360-D363 WeakPolarHBondContact O-CB 3.46Å; S360-D363 PolarHBondContact O-N 2.98Å; D363-G365 PolarHBondContact O-N 3Å | ||
| 364 | D | 84.4 | Confident | 92.7 | Very high | 172 Ų | 172 | 80 Ų | 80 | 92% | 0.92 | 43% | 0.426 | S | S | * | . | trans | -85.2 | 10.2 | 177.2 | -58.9 | -38.4 | 0 | 0 | 0 | 113.1 | ||||
| 365 | G | 83.1 | Confident | 92.8 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -83.3 | -176.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D363 | D363-G365 PolarHBondContact O-N 3Š|
| 366 | K | 87.4 | Confident | 93 | Very high | 193 Ų | 193 | 71.7 Ų | 71.7 | 84% | 0.839 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 152.5 | 168.3 | -65.8 | -177.7 | -179.8 | 179 | 0 | 109.6 | E368 | K366-E368 PolarHBondContact O-N 2.95Š|
| 367 | E | 93.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 136.5 | 170 | -68.3 | -177.2 | -168.4 | 0 | 0 | 111.1 | R357 | R357-E367 HydrophobicContact CB-CB 4.11Å; R357-E367 HydrophobicContact CB-CG 4.22Å; R357-E367 VanDerWaalsContact CD-OE2 3.31Å; R357-E367 WeakPolarHBondContact CD-OE2 3.41Å; R357-E367 IonicContact NH1-OE2 3.81Å; R357-E367 PolarHBondContact NH1-OE2 3.24Å |
| 368 | E | 95.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 145.4 | 174.1 | -72.1 | -70.7 | 148.8 | 0 | 0 | 110.6 | S319 L353 R357 F359 K366 T372 | S319-E368 WeakPolarHBondContact CB-OE2 3.5Å; S319-E368 PolarHBondContact OG-OE1 2.84Å; S319-E368 VanDerWaalsContact OG-OE1 3.05Å; S319-E368 PolarHBondContact OG-OE2 3.27Å; L353-E368 HydrophobicContact CD2-CB 3.87Å; L353-E368 HydrophobicContact CD2-CG 4.17Å; R357-E368 WeakPolarHBondContact O-CB 3.19Å; R357-E368 PolarHBondContact O-N 3.01Å; F359-E368 HydrophobicContact CD2-CG 4.02Å; F359-E368 HydrophobicContact CE2-CG 3.82Å; K366-E368 PolarHBondContact O-N 2.95Å; E368-T372 HydrophobicContact CB-CG2 4.12Å; E368-T372 HydrophobicContact CG-CG2 4.14Å; E368-T372 PolarHBondContact OE2-OG1 2.85Å |
| 369 | P | 95.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 41% | 0.409 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65 | 157.8 | 173.6 | 28.9 | -35.2 | 0 | 0 | 0 | 111.4 | T371 T372 | P369-T371 WeakPolarHBondContact CG-OG1 3.42Å; P369-T371 PolarHBondContact O-N 3.14Å; P369-T372 WeakPolarHBondContact O-CB 3.36Å; P369-T372 PolarHBondContact O-N 3.06Å; P369-T372 PolarHBondContact O-OG1 3.47Å |
| 370 | P | 93.9 | Very high | 93.9 | Very high | 117 Ų | 117 | 61.5 Ų | 61.5 | 76% | 0.76 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.6 | -24.3 | 177.5 | 24.4 | -34.8 | 0 | 0 | 0 | 113.1 | T372 L373 L374 | P370-T372 PolarHBondContact O-N 2.86Å; P370-L373 PolarHBondContact O-N 3.26Å; P370-L374 PolarHBondContact O-N 3.31Å |
| 371 | T | 95.4 | Very high | 94.2 | Very high | 66 Ų | 66 | 59.8 Ų | 59.8 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -29.4 | 173.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | P369 L374 W375 | P369-T371 WeakPolarHBondContact CG-OG1 3.42Å; P369-T371 PolarHBondContact O-N 3.14Å; T371-L374 WeakPolarHBondContact O-CB 3.27Å; T371-L374 PolarHBondContact O-N 3.16Å; T371-W375 PolarHBondContact O-N 2.93Å; T371-W375 VanDerWaalsContact O-N 3.13Å |
| 372 | T | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | F318 L353 F359 E368 P369 P370 W375 V376 | F318-T372 HydrophobicContact CB-CG2 4.22Å; L353-T372 HydrophobicContact CD1-CG2 4.01Å; L353-T372 HydrophobicContact CD2-CG2 4.19Å; F359-T372 HydrophobicContact CE1-CG2 3.69Å; F359-T372 HydrophobicContact CE2-CG2 4.03Å; F359-T372 HydrophobicContact CZ-CG2 3.32Å; E368-T372 HydrophobicContact CB-CG2 4.12Å; E368-T372 HydrophobicContact CG-CG2 4.14Å; E368-T372 PolarHBondContact OE2-OG1 2.85Å; P369-T372 WeakPolarHBondContact O-CB 3.36Å; P369-T372 PolarHBondContact O-N 3.06Å; P369-T372 PolarHBondContact O-OG1 3.47Å; P370-T372 PolarHBondContact O-N 2.86Å; T372-W375 PolarHBondContact O-N 3.1Å; T372-V376 WeakPolarHBondContact O-CG2 3.36Å; T372-V376 PolarHBondContact O-N 3.24Å; T372-V376 VanDerWaalsContact O-N 3.14Å |
| 373 | L | 97.8 | Very high | 95.1 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 174.6 | 177.7 | 61.4 | 0 | 0 | 0 | 111.6 | E350 L353 K354 P370 W375 V376 Q377 | E350-L373 HydrophobicContact CG-CD1 3.73Å; L353-L373 HydrophobicContact CB-CB 4.34Å; L353-L373 HydrophobicContact CB-CD1 4.04Å; L353-L373 HydrophobicContact CD1-CB 4.49Å; K354-L373 HydrophobicContact CG-CD1 4.17Å; K354-L373 HydrophobicContact CG-CD2 3.94Å; P370-L373 PolarHBondContact O-N 3.26Å; L373-W375 VanDerWaalsContact C-N 3.32Å; L373-W375 PolarHBondContact O-N 3.24Å; L373-V376 WeakPolarHBondContact O-CB 3.46Å; L373-V376 PolarHBondContact O-N 3.02Å; L373-Q377 HydrophobicContact CD1-CG 4.17Å; L373-Q377 HydrophobicContact CG-CG 4.45Å; L373-Q377 WeakPolarHBondContact O-CG 3.26Å; L373-Q377 PolarHBondContact O-N 3.1Å |
| 374 | L | 98.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.1 | -47.4 | 175.7 | 174.7 | 66.8 | 0 | 0 | 0 | 111.8 | P370 T371 Q377 Y378 A400 T404 L407 L410 | P370-L374 PolarHBondContact O-N 3.31Å; T371-L374 WeakPolarHBondContact O-CB 3.27Å; T371-L374 PolarHBondContact O-N 3.16Å; L374-Q377 PolarHBondContact O-N 3.37Å; L374-Y378 WeakPolarHBondContact O-CB 3.38Å; L374-Y378 PolarHBondContact O-N 3.42Å; L374-A400 HydrophobicContact CD1-CB 3.78Å; L374-T404 HydrophobicContact CD2-CG2 4.26Å; L374-L407 HydrophobicContact CD2-CD2 3.9Å; L374-L407 HydrophobicContact CG-CD2 4.47Å; L374-L410 HydrophobicContact CD1-CD1 4.16Å; L374-L410 HydrophobicContact CD1-CD2 4.28Å |
| 375 | W | 98.3 | Very high | 96.1 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.1 | -30.5 | -179.4 | -69.3 | 111.9 | 0 | 0 | 0 | 113.6 | F318 G321 P323 T371 T372 L373 Y378 F379 L407 | F318-W375 HydrophobicContact CD1-CB 4.04Å; G321-W375 WeakPolarHBondContact O-CZ2 3.43Å; P323-W375 HydrophobicContact CB-CH2 4.14Å; P323-W375 HydrophobicContact CB-CZ3 3.97Å; P323-W375 HydrophobicContact CG-CH2 3.66Å; P323-W375 HydrophobicContact CG-CZ3 3.99Å; T371-W375 PolarHBondContact O-N 2.93Å; T371-W375 VanDerWaalsContact O-N 3.13Å; T372-W375 PolarHBondContact O-N 3.1Å; L373-W375 VanDerWaalsContact C-N 3.32Å; L373-W375 PolarHBondContact O-N 3.24Å; W375-Y378 AromaticContact CE3-CD1 3.69Å; W375-Y378 HydrophobicContact CE3-CD1 3.69Å; W375-Y378 HydrophobicContact CE3-CE1 4.26Å; W375-Y378 HydrophobicContact CE3-CG 4.13Å; W375-Y378 AromaticContact CZ3-CD1 3.86Å; W375-Y378 HydrophobicContact CZ3-CD1 3.86Å; W375-Y378 HydrophobicContact CZ3-CE1 4.03Å; W375-Y378 HydrophobicContact CZ3-CG 4.26Å; W375-F379 WeakPolarHBondContact O-CB 3.43Å; W375-F379 PolarHBondContact O-N 2.98Å; W375-L407 HydrophobicContact CH2-CD1 4.33Å; W375-L407 HydrophobicContact CH2-CD2 3.84Å; W375-L407 HydrophobicContact CZ2-CD2 4.12Å; W375-L407 HydrophobicContact CZ3-CD2 4.35Å |
| 376 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 170.8 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | F318 V346 E350 L353 T372 L373 F379 L380 | F318-V376 HydrophobicContact CB-CG2 4.33Å; F318-V376 HydrophobicContact CD1-CG2 4.32Å; F318-V376 HydrophobicContact CD2-CG2 3.7Å; F318-V376 HydrophobicContact CE2-CG2 3.97Å; F318-V376 HydrophobicContact CG-CG2 3.89Å; F318-V376 HydrophobicContact CZ-CG2 4.41Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; E350-V376 HydrophobicContact CB-CG1 3.78Å; E350-V376 HydrophobicContact CG-CG1 4.28Å; L353-V376 HydrophobicContact CD1-CB 4.48Å; L353-V376 HydrophobicContact CD1-CG2 3.86Å; T372-V376 WeakPolarHBondContact O-CG2 3.36Å; T372-V376 PolarHBondContact O-N 3.24Å; T372-V376 VanDerWaalsContact O-N 3.14Å; L373-V376 WeakPolarHBondContact O-CB 3.46Å; L373-V376 PolarHBondContact O-N 3.02Å; V376-F379 WeakPolarHBondContact O-CB 3.44Å; V376-F379 PolarHBondContact O-N 2.98Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 2.96Å |
| 377 | Q | 98.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.7 | -69.6 | -179.8 | -34.8 | 0 | 0 | 112.3 | E350 L373 L374 F379 L380 A381 A400 | E350-Q377 HydrophobicContact CG-CG 4.2Å; E350-Q377 WeakPolarHBondContact OE1-CG 3.42Å; E350-Q377 PolarHBondContact OE1-NE2 2.91Å; E350-Q377 VanDerWaalsContact OE1-NE2 3.09Å; L373-Q377 HydrophobicContact CD1-CG 4.17Å; L373-Q377 HydrophobicContact CG-CG 4.45Å; L373-Q377 WeakPolarHBondContact O-CG 3.26Å; L373-Q377 PolarHBondContact O-N 3.1Å; L374-Q377 PolarHBondContact O-N 3.37Å; Q377-F379 VanDerWaalsContact C-N 3.32Å; Q377-F379 PolarHBondContact O-N 2.98Å; Q377-L380 PolarHBondContact O-N 3.03Å; Q377-A381 PolarHBondContact O-N 2.83Å; Q377-A400 HydrophobicContact CB-CB 4.39Å |
| 378 | Y | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 172.2 | 173.5 | -100.8 | 0 | 0 | 0 | 111.9 | P323 L374 W375 A381 Q382 I397 E409 L410 I413 | P323-Y378 WeakPolarHBondContact O-CE1 3.31Å; L374-Y378 WeakPolarHBondContact O-CB 3.38Å; L374-Y378 PolarHBondContact O-N 3.42Å; W375-Y378 AromaticContact CE3-CD1 3.69Å; W375-Y378 HydrophobicContact CE3-CD1 3.69Å; W375-Y378 HydrophobicContact CE3-CE1 4.26Å; W375-Y378 HydrophobicContact CE3-CG 4.13Å; W375-Y378 AromaticContact CZ3-CD1 3.86Å; W375-Y378 HydrophobicContact CZ3-CD1 3.86Å; W375-Y378 HydrophobicContact CZ3-CE1 4.03Å; W375-Y378 HydrophobicContact CZ3-CG 4.26Å; Y378-A381 PolarHBondContact O-N 3.46Å; Y378-Q382 WeakPolarHBondContact O-CG 3.39Å; Y378-Q382 PolarHBondContact O-N 2.88Å; Y378-Q382 PolarHBondContact OH-NE2 2.85Å; Y378-I397 HydrophobicContact CD2-CD1 4.25Å; Y378-E409 HydrophobicContact CE2-CB 3.88Å; Y378-L410 HydrophobicContact CD2-CD2 3.66Å; Y378-L410 HydrophobicContact CE2-CD2 4.46Å; Y378-L410 HydrophobicContact CG-CD2 4.36Å; Y378-I413 HydrophobicContact CD2-CG1 4.18Å; Y378-I413 HydrophobicContact CE2-CB 4.17Å; Y378-I413 HydrophobicContact CE2-CD1 4.41Å; Y378-I413 HydrophobicContact CE2-CG1 3.3Å |
| 379 | F | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.2 | -176.8 | -78.8 | 0 | 0 | 0 | 112.1 | L314 F318 V325 F326 L329 I342 V346 W375 V376 Q377 A381 Q382 H383 | L314-F379 HydrophobicContact CD2-CE2 4.3Å; F318-F379 HydrophobicContact CE1-CB 3.68Å; F318-F379 AromaticContact CE1-CD2 4Å; F318-F379 HydrophobicContact CE1-CD2 4Å; F318-F379 AromaticContact CE1-CG 3.99Å; F318-F379 HydrophobicContact CE1-CG 3.99Å; F318-F379 HydrophobicContact CZ-CB 3.78Å; F318-F379 HydrophobicContact CZ-CD1 4.3Å; F318-F379 AromaticContact CZ-CD2 3.89Å; F318-F379 HydrophobicContact CZ-CD2 3.89Å; F318-F379 AromaticContact CZ-CG 3.73Å; F318-F379 HydrophobicContact CZ-CG 3.73Å; V325-F379 HydrophobicContact CB-CD2 4.25Å; V325-F379 HydrophobicContact CG1-CD2 3.87Å; V325-F379 HydrophobicContact CG1-CE2 3.84Å; F326-F379 HydrophobicContact CB-CD2 3.93Å; F326-F379 HydrophobicContact CB-CE2 4.02Å; F326-F379 HydrophobicContact CD2-CE2 4.3Å; F326-F379 HydrophobicContact CD2-CZ 4.37Å; L329-F379 HydrophobicContact CD1-CE2 4.02Å; L329-F379 HydrophobicContact CD1-CZ 4.09Å; I342-F379 HydrophobicContact CG2-CE1 3.66Å; I342-F379 HydrophobicContact CG2-CZ 3.81Å; V346-F379 HydrophobicContact CB-CD1 4.49Å; V346-F379 HydrophobicContact CG1-CD1 3.94Å; V346-F379 HydrophobicContact CG2-CD1 4.13Å; V346-F379 HydrophobicContact CG2-CE1 3.93Å; W375-F379 WeakPolarHBondContact O-CB 3.43Å; W375-F379 PolarHBondContact O-N 2.98Å; V376-F379 WeakPolarHBondContact O-CB 3.44Å; V376-F379 PolarHBondContact O-N 2.98Å; Q377-F379 VanDerWaalsContact C-N 3.32Å; Q377-F379 PolarHBondContact O-N 2.98Å; F379-A381 VanDerWaalsContact C-N 3.32Å; F379-A381 PolarHBondContact O-N 3.31Å; F379-Q382 PolarHBondContact O-N 3.28Å; F379-Q382 VanDerWaalsContact O-N 3.14Å; F379-H383 HydrophobicContact CD1-CB 4.46Å; F379-H383 HydrophobicContact CE1-CB 4.36Å; F379-H383 WeakPolarHBondContact O-CB 3.32Å; F379-H383 PolarHBondContact O-N 2.8Å |
| 380 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.7 | -74.6 | 172 | 0 | 0 | 0 | 111.6 | V346 V347 E350 V376 Q377 Q382 H383 Y384 | V346-L380 HydrophobicContact CB-CD2 4.07Å; V346-L380 HydrophobicContact CG1-CD1 4.28Å; V346-L380 HydrophobicContact CG1-CD2 3.67Å; V346-L380 HydrophobicContact CG1-CG 3.7Å; V347-L380 HydrophobicContact CG2-CD2 3.87Å; E350-L380 HydrophobicContact CB-CD1 3.99Å; E350-L380 HydrophobicContact CG-CD1 4.23Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 2.96Å; Q377-L380 PolarHBondContact O-N 3.03Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.42Å; L380-H383 WeakPolarHBondContact O-CB 3.43Å; L380-H383 PolarHBondContact O-N 3.37Å; L380-H383 VanDerWaalsContact O-N 3.15Å; L380-Y384 HydrophobicContact CB-CD2 4.28Å; L380-Y384 HydrophobicContact CB-CE2 4.14Å; L380-Y384 HydrophobicContact CD2-CE2 4.1Å; L380-Y384 WeakPolarHBondContact O-CD2 3.32Å; L380-Y384 PolarHBondContact O-N 3.26Å |
| 381 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q377 Y378 F379 D385 A393 H396 I397 I413 I417 | Q377-A381 PolarHBondContact O-N 2.83Å; Y378-A381 PolarHBondContact O-N 3.46Å; F379-A381 VanDerWaalsContact C-N 3.32Å; F379-A381 PolarHBondContact O-N 3.31Å; A381-D385 VanDerWaalsContact O-CB 3.32Å; A381-D385 WeakPolarHBondContact O-CB 3.48Å; A381-D385 PolarHBondContact O-N 2.68Å; A381-D385 VanDerWaalsContact O-N 3.09Å; A381-A393 WeakPolarHBondContact O-CB 3.48Å; A381-H396 HydrophobicContact CB-CB 4.13Å; A381-I397 HydrophobicContact CB-CB 3.85Å; A381-I397 HydrophobicContact CB-CD1 3.95Å; A381-I397 HydrophobicContact CB-CG1 4.4Å; A381-I413 HydrophobicContact CB-CG2 4.27Å; A381-I417 HydrophobicContact CB-CD1 4.46Å |
| 382 | Q | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -34.4 | 176.5 | -62.4 | 179.6 | -69 | 0 | 0 | 113 | F326 Y378 F379 L380 M386 I413 | F326-Q382 HydrophobicContact CB-CB 3.98Å; F326-Q382 HydrophobicContact CB-CG 4.43Å; F326-Q382 HydrophobicContact CD1-CB 3.75Å; F326-Q382 HydrophobicContact CD1-CG 4.44Å; F326-Q382 HydrophobicContact CD2-CB 3.58Å; F326-Q382 HydrophobicContact CE1-CB 4.19Å; F326-Q382 HydrophobicContact CE2-CB 4.03Å; F326-Q382 WeakPolarHBondContact CE2-O 3.43Å; F326-Q382 HydrophobicContact CG-CB 3.45Å; F326-Q382 VanDerWaalsContact CG-CB 3.45Å; F326-Q382 HydrophobicContact CG-CG 4.29Å; F326-Q382 HydrophobicContact CZ-CB 4.33Å; F326-Q382 WeakPolarHBondContact CZ-O 3.27Å; Y378-Q382 WeakPolarHBondContact O-CG 3.39Å; Y378-Q382 PolarHBondContact O-N 2.88Å; Y378-Q382 PolarHBondContact OH-NE2 2.85Å; F379-Q382 PolarHBondContact O-N 3.28Å; F379-Q382 VanDerWaalsContact O-N 3.14Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.42Å; Q382-M386 WeakPolarHBondContact O-CB 3.32Å; Q382-M386 PolarHBondContact O-N 2.69Å; Q382-M386 VanDerWaalsContact O-N 3.12Å; Q382-I413 HydrophobicContact CG-CD1 3.85Å; Q382-I413 HydrophobicContact CG-CG1 3.91Å; Q382-I413 HydrophobicContact CG-CG2 3.86Å; Q382-I413 VanDerWaalsContact NE2-CD1 3.29Å |
| 383 | H | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -55.5 | 174.8 | 169.5 | 85.2 | 0 | 0 | 0 | 111.2 | F326 Y333 E343 F379 L380 D385 M386 I387 | F326-H383 HydrophobicContact CE2-CB 4.48Å; Y333-H383 AromaticContact CE1-ND1 3.47Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.41Å; Y333-H383 AromaticContact CZ-ND1 3.59Å; Y333-H383 PolarHBondContact OH-ND1 3.35Å; E343-H383 WeakPolarHBondContact CG-NE2 3.26Å; E343-H383 IonicContact OE2-CE1 2.98Å; E343-H383 IonicContact OE2-NE2 3.37Å; E343-H383 PolarHBondContact OE2-NE2 3.27Å; F379-H383 HydrophobicContact CD1-CB 4.46Å; F379-H383 HydrophobicContact CE1-CB 4.36Å; F379-H383 WeakPolarHBondContact O-CB 3.32Å; F379-H383 PolarHBondContact O-N 2.8Å; L380-H383 WeakPolarHBondContact O-CB 3.43Å; L380-H383 PolarHBondContact O-N 3.37Å; L380-H383 VanDerWaalsContact O-N 3.15Å; H383-D385 VanDerWaalsContact C-N 3.31Å; H383-D385 PolarHBondContact O-N 3.18Å; H383-M386 WeakPolarHBondContact O-CB 3.46Å; H383-M386 PolarHBondContact O-N 3.46Å; H383-I387 PolarHBondContact O-N 2.84Å |
| 384 | Y | 98.2 | Very high | 97 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 7% | 0.071 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -36 | 179.4 | -71.4 | -60.9 | 0 | 0 | 0 | 112.5 | L380 M386 I387 G388 Q389 L392 H396 | L380-Y384 HydrophobicContact CB-CD2 4.28Å; L380-Y384 HydrophobicContact CB-CE2 4.14Å; L380-Y384 HydrophobicContact CD2-CE2 4.1Å; L380-Y384 WeakPolarHBondContact O-CD2 3.32Å; L380-Y384 PolarHBondContact O-N 3.26Å; Y384-M386 VanDerWaalsContact C-N 3.33Å; Y384-M386 PolarHBondContact O-N 3.43Å; Y384-I387 HydrophobicContact CD1-CD1 3.87Å; Y384-I387 HydrophobicContact CD1-CG1 4.32Å; Y384-I387 HydrophobicContact CE1-CD1 4.3Å; Y384-I387 PolarHBondContact O-N 3.43Å; Y384-G388 PolarHBondContact O-N 3.04Å; Y384-G388 VanDerWaalsContact O-N 3.13Å; Y384-Q389 HydrophobicContact CD1-CB 4.2Å; Y384-Q389 PolarHBondContact O-N 2.79Å; Y384-L392 HydrophobicContact CD1-CB 4.08Å; Y384-L392 HydrophobicContact CD1-CD1 3.97Å; Y384-L392 HydrophobicContact CD2-CB 4.09Å; Y384-L392 HydrophobicContact CE1-CB 4.5Å; Y384-L392 HydrophobicContact CE1-CD1 3.77Å; Y384-L392 HydrophobicContact CE2-CB 4.48Å; Y384-L392 HydrophobicContact CG-CB 3.88Å; Y384-H396 AromaticContact CD2-CD2 3.53Å; Y384-H396 AromaticContact CD2-NE2 3.86Å; Y384-H396 AromaticContact CE2-CD2 3.49Å; Y384-H396 VanDerWaalsContact CE2-CD2 3.49Å; Y384-H396 WeakPolarHBondContact CE2-CD2 3.49Å; Y384-H396 AromaticContact CE2-NE2 3.29Å; Y384-H396 VanDerWaalsContact CE2-NE2 3.29Å; Y384-H396 WeakPolarHBondContact CE2-NE2 3.27Å |
| 385 | D | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 170.7 | -179.3 | 43.1 | 0 | 0 | 0 | 112 | A381 H383 G388 A393 K416 I417 H420 | A381-D385 VanDerWaalsContact O-CB 3.32Å; A381-D385 WeakPolarHBondContact O-CB 3.48Å; A381-D385 PolarHBondContact O-N 2.68Å; A381-D385 VanDerWaalsContact O-N 3.09Å; H383-D385 VanDerWaalsContact C-N 3.31Å; H383-D385 PolarHBondContact O-N 3.18Å; D385-G388 PolarHBondContact O-N 3.41Å; D385-A393 HydrophobicContact CB-CB 4.3Å; D385-K416 IonicContact OD2-NZ 2.89Å; D385-I417 HydrophobicContact CB-CG1 3.91Å; D385-H420 WeakPolarHBondContact OD1-CB 3.41Å; D385-H420 IonicContact OD1-CE1 3.77Å; D385-H420 IonicContact OD1-CG 2.81Å; D385-H420 IonicContact OD1-ND1 3.28Å; D385-H420 PolarHBondContact OD1-ND1 3.09Å; D385-H420 IonicContact OD2-CE1 3.66Å; D385-H420 PolarHBondContact OD2-CE1 3.2Å; D385-H420 VanDerWaalsContact OD2-CE1 3.26Å; D385-H420 IonicContact OD2-ND1 2.73Å; D385-H420 PolarHBondContact OD2-ND1 3.33Å |
| 386 | M | 95.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 30.5 Ų | 30.5 | 41% | 0.409 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -72.2 | -34.6 | -177.2 | -174.1 | 70.9 | -165.9 | 0 | 0 | 113.3 | F326 Y333 Q382 H383 Y384 G388 | F326-M386 HydrophobicContact CE2-CB 4.19Å; F326-M386 HydrophobicContact CZ-CB 3.61Å; F326-M386 HydrophobicContact CZ-CG 3.91Å; F326-M386 HydrophobicContact CZ-SD 4.49Å; Y333-M386 HydrophobicContact CD1-CB 4.18Å; Y333-M386 HydrophobicContact CD1-CG 3.58Å; Y333-M386 HydrophobicContact CE1-CB 4.21Å; Y333-M386 HydrophobicContact CE1-CG 4.1Å; Y333-M386 HydrophobicContact CG-CG 4.13Å; Q382-M386 WeakPolarHBondContact O-CB 3.32Å; Q382-M386 PolarHBondContact O-N 2.69Å; Q382-M386 VanDerWaalsContact O-N 3.12Å; H383-M386 WeakPolarHBondContact O-CB 3.46Å; H383-M386 PolarHBondContact O-N 3.46Å; Y384-M386 VanDerWaalsContact C-N 3.33Å; Y384-M386 PolarHBondContact O-N 3.43Å; M386-G388 VanDerWaalsContact C-N 3.25Å |
| 387 | I | 94.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 30% | 0.303 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -84.1 | 0.3 | 175.3 | 65.8 | 164.3 | 0 | 0 | 0 | 113 | Y333 V339 H383 Y384 Q389 | Y333-I387 HydrophobicContact CD1-CG2 4.42Å; Y333-I387 HydrophobicContact CE1-CG2 4.37Å; V339-I387 HydrophobicContact CG1-CG2 3.92Å; H383-I387 PolarHBondContact O-N 2.84Å; Y384-I387 HydrophobicContact CD1-CD1 3.87Å; Y384-I387 HydrophobicContact CD1-CG1 4.32Å; Y384-I387 HydrophobicContact CE1-CD1 4.3Å; Y384-I387 PolarHBondContact O-N 3.43Å; I387-Q389 HydrophobicContact CD1-CG 4.15Å; I387-Q389 HydrophobicContact CG1-CB 4.45Å; I387-Q389 HydrophobicContact CG1-CG 4.2Å |
| 388 | G | 91.4 | Very high | 96.9 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 39% | 0.392 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 21.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y384 D385 M386 Q390 | Y384-G388 PolarHBondContact O-N 3.04Å; Y384-G388 VanDerWaalsContact O-N 3.13Å; D385-G388 PolarHBondContact O-N 3.41Å; M386-G388 VanDerWaalsContact C-N 3.25Å; G388-Q390 PolarHBondContact O-OE1 2.8Å; G388-Q390 VanDerWaalsContact O-OE1 3.04Å |
| 389 | Q | 94.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 34.3 Ų | 34.3 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | trans | -102.5 | 73.9 | 176.2 | -64.8 | -175.6 | 5.7 | 0 | 0 | 110.3 | Y384 I387 T391 L392 A393 | Y384-Q389 HydrophobicContact CD1-CB 4.2Å; Y384-Q389 PolarHBondContact O-N 2.79Å; I387-Q389 HydrophobicContact CD1-CG 4.15Å; I387-Q389 HydrophobicContact CG1-CB 4.45Å; I387-Q389 HydrophobicContact CG1-CG 4.2Å; Q389-T391 VanDerWaalsContact C-N 3.32Å; Q389-T391 PolarHBondContact O-N 3.14Å; Q389-L392 PolarHBondContact O-N 2.66Å; Q389-L392 VanDerWaalsContact OE1-CD1 3.24Å; Q389-A393 PolarHBondContact O-N 2.95Å; Q389-A393 VanDerWaalsContact O-N 3.15Å | ||
| 390 | Q | 93.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -30 | -169.2 | -57.2 | 86.5 | -2.5 | 0 | 0 | 113.5 | G388 A393 L394 I417 A421 Y833 | G388-Q390 PolarHBondContact O-OE1 2.8Å; G388-Q390 VanDerWaalsContact O-OE1 3.04Å; Q390-A393 PolarHBondContact O-N 3.25Å; Q390-L394 WeakPolarHBondContact O-CB 3.5Å; Q390-L394 WeakPolarHBondContact O-CG 3.25Å; Q390-L394 PolarHBondContact O-N 3.31Å; Q390-I417 HydrophobicContact CB-CG2 4.14Å; Q390-A421 HydrophobicContact CB-CB 4.16Å; Q390-A421 HydrophobicContact CG-CB 3.85Å; Q390-Y833 HydrophobicContact CB-CE2 4.47Å |
| 391 | T | 94.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.9 | -47 | 179 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Q389 A393 L394 E395 Y833 | Q389-T391 VanDerWaalsContact C-N 3.32Å; Q389-T391 PolarHBondContact O-N 3.14Å; T391-A393 VanDerWaalsContact C-N 3.34Å; T391-L394 PolarHBondContact O-N 3.34Å; T391-E395 PolarHBondContact O-N 3.45Å; T391-Y833 PolarHBondContact OG1-OH 3.37Å |
| 392 | L | 96.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 175.1 | -66.7 | -177.9 | 0 | 0 | 0 | 111.5 | Y384 Q389 L394 E395 H396 | Y384-L392 HydrophobicContact CD1-CB 4.08Å; Y384-L392 HydrophobicContact CD1-CD1 3.97Å; Y384-L392 HydrophobicContact CD2-CB 4.09Å; Y384-L392 HydrophobicContact CE1-CB 4.5Å; Y384-L392 HydrophobicContact CE1-CD1 3.77Å; Y384-L392 HydrophobicContact CE2-CB 4.48Å; Y384-L392 HydrophobicContact CG-CB 3.88Å; Q389-L392 PolarHBondContact O-N 2.66Å; Q389-L392 VanDerWaalsContact OE1-CD1 3.24Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.03Å; L392-E395 PolarHBondContact O-N 3.04Å; L392-H396 PolarHBondContact O-CD2 3.15Å; L392-H396 VanDerWaalsContact O-CD2 3.22Å; L392-H396 PolarHBondContact O-N 3.03Å |
| 393 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A381 D385 Q389 Q390 T391 I397 I417 | A381-A393 WeakPolarHBondContact O-CB 3.48Å; D385-A393 HydrophobicContact CB-CB 4.3Å; Q389-A393 PolarHBondContact O-N 2.95Å; Q389-A393 VanDerWaalsContact O-N 3.15Å; Q390-A393 PolarHBondContact O-N 3.25Å; T391-A393 VanDerWaalsContact C-N 3.34Å; A393-I397 WeakPolarHBondContact O-CB 3.35Å; A393-I397 WeakPolarHBondContact O-CG2 3.42Å; A393-I397 PolarHBondContact O-N 3.15Å; A393-I397 VanDerWaalsContact O-N 3.08Å; A393-I417 HydrophobicContact CB-CD1 3.78Å; A393-I417 HydrophobicContact CB-CG1 4.02Å; A393-I417 HydrophobicContact CB-CG2 4.14Å |
| 394 | L | 98.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 176.1 | -74.9 | 172.9 | 0 | 0 | 0 | 112.4 | Q390 T391 L392 I397 N398 K414 I417 Y418 Y833 | Q390-L394 WeakPolarHBondContact O-CB 3.5Å; Q390-L394 WeakPolarHBondContact O-CG 3.25Å; Q390-L394 PolarHBondContact O-N 3.31Å; T391-L394 PolarHBondContact O-N 3.34Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.03Å; L394-I397 HydrophobicContact CD2-CG2 4.39Å; L394-I397 WeakPolarHBondContact O-CG2 3.22Å; L394-N398 WeakPolarHBondContact O-CB 3.38Å; L394-N398 PolarHBondContact O-N 3.15Å; L394-N398 PolarHBondContact O-ND2 2.83Å; L394-K414 HydrophobicContact CD2-CG 4.36Å; L394-I417 HydrophobicContact CD2-CB 4.36Å; L394-I417 HydrophobicContact CD2-CG2 3.86Å; L394-I417 HydrophobicContact CG-CG2 3.8Å; L394-Y418 HydrophobicContact CD1-CE1 4.17Å; L394-Y418 HydrophobicContact CD2-CD2 4.15Å; L394-Y418 HydrophobicContact CD2-CE1 4.5Å; L394-Y418 HydrophobicContact CD2-CE2 3.61Å; L394-Y833 HydrophobicContact CD1-CE1 4.08Å; L394-Y833 HydrophobicContact CD1-CE2 4.35Å |
| 395 | E | 97.6 | Very high | 96.4 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.4 | -54.4 | 175.9 | -172.7 | 176.7 | 173.2 | 0 | 0 | 111 | T391 L392 I397 N398 T399 | T391-E395 PolarHBondContact O-N 3.45Å; L392-E395 PolarHBondContact O-N 3.04Å; E395-I397 PolarHBondContact O-N 2.81Å; E395-N398 PolarHBondContact O-N 3.26Å; E395-T399 PolarHBondContact O-N 3.32Å; E395-T399 PolarHBondContact O-OG1 2.77Å; E395-T399 VanDerWaalsContact O-OG1 3.14Å |
| 396 | H | 98.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 179.6 | -73.4 | -70.6 | 0 | 0 | 0 | 113 | E350 A381 Y384 L392 A400 | E350-H396 IonicContact OE1-CE1 3.06Å; E350-H396 IonicContact OE1-ND1 2.6Å; E350-H396 PolarHBondContact OE1-ND1 2.74Å; E350-H396 IonicContact OE2-CE1 2.67Å; E350-H396 PolarHBondContact OE2-CE1 2.78Å; E350-H396 VanDerWaalsContact OE2-CE1 3.24Å; E350-H396 IonicContact OE2-ND1 3.74Å; A381-H396 HydrophobicContact CB-CB 4.13Å; Y384-H396 AromaticContact CD2-CD2 3.53Å; Y384-H396 AromaticContact CD2-NE2 3.86Å; Y384-H396 AromaticContact CE2-CD2 3.49Å; Y384-H396 VanDerWaalsContact CE2-CD2 3.49Å; Y384-H396 WeakPolarHBondContact CE2-CD2 3.49Å; Y384-H396 AromaticContact CE2-NE2 3.29Å; Y384-H396 VanDerWaalsContact CE2-NE2 3.29Å; Y384-H396 WeakPolarHBondContact CE2-NE2 3.27Å; L392-H396 PolarHBondContact O-CD2 3.15Å; L392-H396 VanDerWaalsContact O-CD2 3.22Å; L392-H396 PolarHBondContact O-N 3.03Å; H396-A400 WeakPolarHBondContact O-CB 3.4Å; H396-A400 PolarHBondContact O-N 3.47Å |
| 397 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.8 | -34.5 | -179.1 | -156.5 | 62.6 | 0 | 0 | 0 | 112 | Y378 A381 A393 L394 E395 A400 I401 L410 I413 K414 I417 | Y378-I397 HydrophobicContact CD2-CD1 4.25Å; A381-I397 HydrophobicContact CB-CB 3.85Å; A381-I397 HydrophobicContact CB-CD1 3.95Å; A381-I397 HydrophobicContact CB-CG1 4.4Å; A393-I397 WeakPolarHBondContact O-CB 3.35Å; A393-I397 WeakPolarHBondContact O-CG2 3.42Å; A393-I397 PolarHBondContact O-N 3.15Å; A393-I397 VanDerWaalsContact O-N 3.08Å; L394-I397 HydrophobicContact CD2-CG2 4.39Å; L394-I397 WeakPolarHBondContact O-CG2 3.22Å; E395-I397 PolarHBondContact O-N 2.81Å; I397-A400 PolarHBondContact O-N 3.43Å; I397-I401 HydrophobicContact CG1-CD1 4.34Å; I397-I401 VanDerWaalsContact O-CG1 3.25Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 2.83Å; I397-L410 HydrophobicContact CD1-CB 4.21Å; I397-L410 HydrophobicContact CD1-CD2 4.05Å; I397-L410 WeakPolarHBondContact CG1-O 3.39Å; I397-I413 HydrophobicContact CD1-CB 4.01Å; I397-I413 HydrophobicContact CD1-CG2 3.93Å; I397-I413 HydrophobicContact CG1-CB 4.47Å; I397-I413 HydrophobicContact CG1-CG2 4.31Å; I397-K414 HydrophobicContact CG1-CB 4.17Å; I397-K414 HydrophobicContact CG2-CB 4.13Å; I397-K414 HydrophobicContact CG2-CD 4.32Å; I397-K414 HydrophobicContact CG2-CG 4.12Å; I397-I417 HydrophobicContact CB-CD1 4.2Å; I397-I417 HydrophobicContact CG2-CD1 3.95Å |
| 398 | N | 98.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 176.8 | -73.2 | -27.7 | 0 | 0 | 0 | 110.8 | L394 E395 A400 I401 E402 K414 | L394-N398 WeakPolarHBondContact O-CB 3.38Å; L394-N398 PolarHBondContact O-N 3.15Å; L394-N398 PolarHBondContact O-ND2 2.83Å; E395-N398 PolarHBondContact O-N 3.26Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.05Å; N398-I401 PolarHBondContact O-N 2.88Å; N398-I401 VanDerWaalsContact O-N 3.16Å; N398-E402 WeakPolarHBondContact O-CG 3.34Å; N398-E402 PolarHBondContact O-N 3.09Å; N398-K414 WeakPolarHBondContact OD1-CE 3.33Å; N398-K414 PolarHBondContact OD1-NZ 3.44Å |
| 399 | T | 97.6 | Very high | 96.7 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 173 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | E395 E402 S403 | E395-T399 PolarHBondContact O-N 3.32Å; E395-T399 PolarHBondContact O-OG1 2.77Å; E395-T399 VanDerWaalsContact O-OG1 3.14Å; T399-E402 PolarHBondContact O-N 3.13Å; T399-S403 PolarHBondContact O-N 3.06Å; T399-S403 VanDerWaalsContact O-N 3.1Å |
| 400 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L374 Q377 H396 I397 N398 S403 T404 L410 | L374-A400 HydrophobicContact CD1-CB 3.78Å; Q377-A400 HydrophobicContact CB-CB 4.39Å; H396-A400 WeakPolarHBondContact O-CB 3.4Å; H396-A400 PolarHBondContact O-N 3.47Å; I397-A400 PolarHBondContact O-N 3.43Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.05Å; A400-S403 PolarHBondContact O-N 3.12Å; A400-S403 PolarHBondContact O-OG 3.02Å; A400-T404 PolarHBondContact O-N 2.52Å; A400-L410 HydrophobicContact CB-CD1 4.18Å; A400-L410 HydrophobicContact CB-CD2 3.93Å |
| 401 | I | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.3 | -69.2 | 165.7 | 0 | 0 | 0 | 111.2 | I397 N398 S403 T404 P405 L410 F411 K414 | I397-I401 HydrophobicContact CG1-CD1 4.34Å; I397-I401 VanDerWaalsContact O-CG1 3.25Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 2.83Å; N398-I401 PolarHBondContact O-N 2.88Å; N398-I401 VanDerWaalsContact O-N 3.16Å; I401-S403 PolarHBondContact O-N 3.27Å; I401-T404 CarbonylContact O-C 3.3Å; I401-T404 VanDerWaalsContact O-C 3.28Å; I401-T404 PolarHBondContact O-N 2.97Å; I401-P405 VanDerWaalsContact O-CA 3.22Å; I401-P405 WeakPolarHBondContact O-CA 3.35Å; I401-P405 WeakPolarHBondContact O-CB 3.49Å; I401-P405 WeakPolarHBondContact O-CD 3.41Å; I401-L410 HydrophobicContact CD1-CB 4.28Å; I401-L410 HydrophobicContact CG1-CB 3.56Å; I401-L410 HydrophobicContact CG1-CD1 3.97Å; I401-L410 HydrophobicContact CG1-CG 4.41Å; I401-F411 HydrophobicContact CG2-CE1 4.42Å; I401-F411 HydrophobicContact CG2-CZ 3.97Å; I401-K414 HydrophobicContact CD1-CB 4.31Å; I401-K414 HydrophobicContact CD1-CD 3.54Å |
| 402 | E | 97.1 | Very high | 97.2 | Very high | 156 Ų | 156 | 45.5 Ų | 45.5 | 73% | 0.729 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.6 | -38.7 | 175.6 | -75.1 | 170.5 | -170.4 | 0 | 0 | 111.5 | N398 T399 | N398-E402 WeakPolarHBondContact O-CG 3.34Å; N398-E402 PolarHBondContact O-N 3.09Å; T399-E402 PolarHBondContact O-N 3.13Å |
| 403 | S | 96 | Very high | 97.3 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.6 | -36.4 | 178.8 | 80 | 0 | 0 | 0 | 0 | 113.7 | T399 A400 I401 | T399-S403 PolarHBondContact O-N 3.06Å; T399-S403 VanDerWaalsContact O-N 3.1Å; A400-S403 PolarHBondContact O-N 3.12Å; A400-S403 PolarHBondContact O-OG 3.02Å; I401-S403 PolarHBondContact O-N 3.27Å |
| 404 | T | 95.7 | Very high | 97.3 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | trans | -146 | 78.2 | -175.6 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | L374 A400 I401 T406 L407 L410 | L374-T404 HydrophobicContact CD2-CG2 4.26Å; A400-T404 PolarHBondContact O-N 2.52Å; I401-T404 CarbonylContact O-C 3.3Å; I401-T404 VanDerWaalsContact O-C 3.28Å; I401-T404 PolarHBondContact O-N 2.97Å; T404-T406 PolarHBondContact O-N 3.19Å; T404-L407 HydrophobicContact CG2-CB 4.09Å; T404-L407 PolarHBondContact O-N 2.87Å; T404-L410 WeakPolarHBondContact O-CD1 3.3Å | ||
| 405 | P | 95.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.5 | -173.1 | 30.1 | -36.5 | 0 | 0 | 0 | 113.8 | I401 F411 | I401-P405 VanDerWaalsContact O-CA 3.22Å; I401-P405 WeakPolarHBondContact O-CA 3.35Å; I401-P405 WeakPolarHBondContact O-CB 3.49Å; I401-P405 WeakPolarHBondContact O-CD 3.41Å; P405-F411 VanDerWaalsContact O-CE2 3.27Å; P405-F411 WeakPolarHBondContact O-CE2 3.47Å; P405-F411 WeakPolarHBondContact O-CZ 3.32Å |
| 406 | T | 94.6 | Very high | 97.3 | Very high | 108 Ų | 108 | 40 Ų | 40 | 66% | 0.663 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -7.3 | -179.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | T404 I408 | T404-T406 PolarHBondContact O-N 3.19Å; T406-I408 PolarHBondContact O-N 3.37Å |
| 407 | L | 96.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 39 Ų | 39 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | trans | -86.6 | 110.2 | -178.7 | -177.6 | 65.3 | 0 | 0 | 0 | 111 | L374 W375 T404 E409 L410 F411 | L374-L407 HydrophobicContact CD2-CD2 3.9Å; L374-L407 HydrophobicContact CG-CD2 4.47Å; W375-L407 HydrophobicContact CH2-CD1 4.33Å; W375-L407 HydrophobicContact CH2-CD2 3.84Å; W375-L407 HydrophobicContact CZ2-CD2 4.12Å; W375-L407 HydrophobicContact CZ3-CD2 4.35Å; T404-L407 HydrophobicContact CG2-CB 4.09Å; T404-L407 PolarHBondContact O-N 2.87Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.41Å; L407-E409 PolarHBondContact O-N 3.34Å; L407-L410 HydrophobicContact CB-CD1 3.92Å; L407-L410 HydrophobicContact CB-CG 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.26Å; L407-L410 HydrophobicContact CD2-CD2 3.91Å; L407-L410 HydrophobicContact CD2-CG 3.84Å; L407-L410 HydrophobicContact CG-CD1 4.45Å; L407-L410 HydrophobicContact CG-CG 3.98Å; L407-L410 WeakPolarHBondContact O-CB 3.41Å; L407-L410 WeakPolarHBondContact O-CG 3.14Å; L407-L410 PolarHBondContact O-N 2.88Å; L407-F411 WeakPolarHBondContact O-CD2 3.37Å | ||
| 408 | I | 96.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | -171.2 | -56.6 | 160.2 | 0 | 0 | 0 | 112.4 | T406 L410 F411 L412 A434 L437 D438 I444 | T406-I408 PolarHBondContact O-N 3.37Å; I408-L410 PolarHBondContact O-N 3.45Å; I408-L410 VanDerWaalsContact O-N 3.11Å; I408-F411 PolarHBondContact O-N 3.29Å; I408-L412 HydrophobicContact CG2-CG 4.38Å; I408-L412 PolarHBondContact O-N 2.93Å; I408-L412 VanDerWaalsContact O-N 3.14Å; I408-A434 HydrophobicContact CG2-CB 3.99Å; I408-L437 HydrophobicContact CG1-CB 3.93Å; I408-L437 HydrophobicContact CG1-CD1 4.36Å; I408-D438 HydrophobicContact CD1-CB 3.52Å; I408-I444 HydrophobicContact CB-CD1 4.4Å; I408-I444 HydrophobicContact CD1-CD1 3.95Å; I408-I444 HydrophobicContact CG2-CD1 3.51Å; I408-I444 HydrophobicContact CG2-CG1 4.21Å |
| 409 | E | 96.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.29 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.6 | -29.8 | 179.3 | -72.6 | 84.7 | 168.7 | 0 | 0 | 112.8 | P323 Y378 L407 L412 I413 | P323-E409 HydrophobicContact CB-CG 4.29Å; Y378-E409 HydrophobicContact CE2-CB 3.88Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.41Å; L407-E409 PolarHBondContact O-N 3.34Å; E409-L412 PolarHBondContact O-N 2.9Å; E409-I413 WeakPolarHBondContact O-CG1 3.22Å; E409-I413 PolarHBondContact O-N 3.44Å |
| 410 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 178 | -54.3 | -179 | 0 | 0 | 0 | 111.3 | L374 Y378 I397 A400 I401 T404 L407 I408 I413 K414 | L374-L410 HydrophobicContact CD1-CD1 4.16Å; L374-L410 HydrophobicContact CD1-CD2 4.28Å; Y378-L410 HydrophobicContact CD2-CD2 3.66Å; Y378-L410 HydrophobicContact CE2-CD2 4.46Å; Y378-L410 HydrophobicContact CG-CD2 4.36Å; I397-L410 HydrophobicContact CD1-CB 4.21Å; I397-L410 HydrophobicContact CD1-CD2 4.05Å; I397-L410 WeakPolarHBondContact CG1-O 3.39Å; A400-L410 HydrophobicContact CB-CD1 4.18Å; A400-L410 HydrophobicContact CB-CD2 3.93Å; I401-L410 HydrophobicContact CD1-CB 4.28Å; I401-L410 HydrophobicContact CG1-CB 3.56Å; I401-L410 HydrophobicContact CG1-CD1 3.97Å; I401-L410 HydrophobicContact CG1-CG 4.41Å; T404-L410 WeakPolarHBondContact O-CD1 3.3Å; L407-L410 HydrophobicContact CB-CD1 3.92Å; L407-L410 HydrophobicContact CB-CG 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.26Å; L407-L410 HydrophobicContact CD2-CD2 3.91Å; L407-L410 HydrophobicContact CD2-CG 3.84Å; L407-L410 HydrophobicContact CG-CD1 4.45Å; L407-L410 HydrophobicContact CG-CG 3.98Å; L407-L410 WeakPolarHBondContact O-CB 3.41Å; L407-L410 WeakPolarHBondContact O-CG 3.14Å; L407-L410 PolarHBondContact O-N 2.88Å; I408-L410 PolarHBondContact O-N 3.45Å; I408-L410 VanDerWaalsContact O-N 3.11Å; L410-I413 PolarHBondContact O-N 3.27Å; L410-K414 WeakPolarHBondContact O-CB 3.39Å; L410-K414 PolarHBondContact O-N 3.32Å |
| 411 | F | 98.2 | Very high | 97 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.7 | -62.7 | -98.1 | 0 | 0 | 0 | 111.5 | I401 P405 L407 I408 I413 K414 A415 W430 E433 A434 L437 | I401-F411 HydrophobicContact CG2-CE1 4.42Å; I401-F411 HydrophobicContact CG2-CZ 3.97Å; P405-F411 VanDerWaalsContact O-CE2 3.27Å; P405-F411 WeakPolarHBondContact O-CE2 3.47Å; P405-F411 WeakPolarHBondContact O-CZ 3.32Å; L407-F411 WeakPolarHBondContact O-CD2 3.37Å; I408-F411 PolarHBondContact O-N 3.29Å; F411-I413 VanDerWaalsContact C-N 3.32Å; F411-I413 PolarHBondContact O-N 3.18Å; F411-K414 PolarHBondContact O-N 3.2Å; F411-A415 WeakPolarHBondContact O-CB 3.29Å; F411-A415 PolarHBondContact O-N 3.47Å; F411-W430 AromaticContact CD1-CE3 3.94Å; F411-W430 HydrophobicContact CD1-CE3 3.94Å; F411-W430 HydrophobicContact CD1-CZ3 4.29Å; F411-W430 HydrophobicContact CE1-CE3 4.39Å; F411-W430 HydrophobicContact CE1-CZ3 4.28Å; F411-E433 HydrophobicContact CD1-CB 4.18Å; F411-A434 HydrophobicContact CB-CB 3.68Å; F411-L437 HydrophobicContact CD2-CD1 3.74Å; F411-L437 HydrophobicContact CE2-CD1 3.55Å; F411-L437 HydrophobicContact CG-CD1 4.39Å; F411-L437 HydrophobicContact CZ-CD1 4.04Å |
| 412 | L | 97.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.4 | -63.9 | -177.5 | 0 | 0 | 0 | 112.1 | I408 E409 K416 M431 A434 F443 I444 | I408-L412 HydrophobicContact CG2-CG 4.38Å; I408-L412 PolarHBondContact O-N 2.93Å; I408-L412 VanDerWaalsContact O-N 3.14Å; E409-L412 PolarHBondContact O-N 2.9Å; L412-K416 WeakPolarHBondContact O-CB 3.44Å; L412-K416 PolarHBondContact O-N 2.95Å; L412-M431 HydrophobicContact CD2-CE 3.25Å; L412-M431 HydrophobicContact CD2-SD 3.48Å; L412-M431 WeakPolarHBondContact CD2-SD 3.33Å; L412-A434 HydrophobicContact CD2-CB 4.05Å; L412-F443 HydrophobicContact CD1-CE1 4.22Å; L412-I444 HydrophobicContact CD2-CG2 4.36Å |
| 413 | I | 98 | Very high | 96.8 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73 | -40.4 | 178 | -65.4 | -48.5 | 0 | 0 | 0 | 111.3 | Y378 A381 Q382 I397 E409 L410 F411 A415 K416 I417 | Y378-I413 HydrophobicContact CD2-CG1 4.18Å; Y378-I413 HydrophobicContact CE2-CB 4.17Å; Y378-I413 HydrophobicContact CE2-CD1 4.41Å; Y378-I413 HydrophobicContact CE2-CG1 3.3Å; A381-I413 HydrophobicContact CB-CG2 4.27Å; Q382-I413 HydrophobicContact CG-CD1 3.85Å; Q382-I413 HydrophobicContact CG-CG1 3.91Å; Q382-I413 HydrophobicContact CG-CG2 3.86Å; Q382-I413 VanDerWaalsContact NE2-CD1 3.29Å; I397-I413 HydrophobicContact CD1-CB 4.01Å; I397-I413 HydrophobicContact CD1-CG2 3.93Å; I397-I413 HydrophobicContact CG1-CB 4.47Å; I397-I413 HydrophobicContact CG1-CG2 4.31Å; E409-I413 WeakPolarHBondContact O-CG1 3.22Å; E409-I413 PolarHBondContact O-N 3.44Å; L410-I413 PolarHBondContact O-N 3.27Å; F411-I413 VanDerWaalsContact C-N 3.32Å; F411-I413 PolarHBondContact O-N 3.18Å; I413-A415 VanDerWaalsContact C-N 3.35Å; I413-A415 PolarHBondContact O-N 3.19Å; I413-K416 HydrophobicContact CD1-CD 4.17Å; I413-K416 CarbonylContact O-C 3.53Å; I413-K416 WeakPolarHBondContact O-CA 3.13Å; I413-K416 WeakPolarHBondContact O-CB 3.38Å; I413-K416 PolarHBondContact O-N 2.7Å; I413-I417 HydrophobicContact CG2-CD1 3.88Å; I413-I417 HydrophobicContact CG2-CG1 4.32Å; I413-I417 VanDerWaalsContact O-CG1 3.29Å; I413-I417 WeakPolarHBondContact O-CG1 3.45Å; I413-I417 PolarHBondContact O-N 3.32Å |
| 414 | K | 98.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 173.3 | -170.5 | 166.5 | -179.1 | -179.7 | 0 | 111.9 | L394 I397 N398 I401 L410 F411 K416 I417 Y418 W430 | L394-K414 HydrophobicContact CD2-CG 4.36Å; I397-K414 HydrophobicContact CG1-CB 4.17Å; I397-K414 HydrophobicContact CG2-CB 4.13Å; I397-K414 HydrophobicContact CG2-CD 4.32Å; I397-K414 HydrophobicContact CG2-CG 4.12Å; N398-K414 WeakPolarHBondContact OD1-CE 3.33Å; N398-K414 PolarHBondContact OD1-NZ 3.44Å; I401-K414 HydrophobicContact CD1-CB 4.31Å; I401-K414 HydrophobicContact CD1-CD 3.54Å; L410-K414 WeakPolarHBondContact O-CB 3.39Å; L410-K414 PolarHBondContact O-N 3.32Å; F411-K414 PolarHBondContact O-N 3.2Å; K414-K416 VanDerWaalsContact C-N 3.31Å; K414-K416 PolarHBondContact O-N 2.79Å; K414-I417 PolarHBondContact O-N 3.11Å; K414-Y418 HydrophobicContact CG-CD2 4.16Å; K414-Y418 HydrophobicContact CG-CE2 3.96Å; K414-Y418 WeakPolarHBondContact O-CD2 3.48Å; K414-Y418 PolarHBondContact O-N 3.31Å; K414-Y418 VanDerWaalsContact O-N 3.1Å; K414-W430 HydrophobicContact CD-CD2 3.69Å; K414-W430 HydrophobicContact CD-CE3 3.8Å; K414-W430 HydrophobicContact CD-CG 4.3Å; K414-W430 HydrophobicContact CD-CH2 4.24Å; K414-W430 HydrophobicContact CD-CZ2 4.12Å; K414-W430 HydrophobicContact CD-CZ3 4.06Å; K414-W430 HydrophobicContact CG-CD2 4Å; K414-W430 HydrophobicContact CG-CE3 4.49Å; K414-W430 HydrophobicContact CG-CG 4.08Å |
| 415 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F411 I413 I417 Y418 K419 A427 W430 M431 Y451 | F411-A415 WeakPolarHBondContact O-CB 3.29Å; F411-A415 PolarHBondContact O-N 3.47Å; I413-A415 VanDerWaalsContact C-N 3.35Å; I413-A415 PolarHBondContact O-N 3.19Å; A415-I417 PolarHBondContact O-N 2.93Å; A415-Y418 PolarHBondContact O-N 3.27Å; A415-K419 WeakPolarHBondContact O-CB 3.35Å; A415-K419 PolarHBondContact O-N 2.93Å; A415-A427 VanDerWaalsContact CB-O 3.28Å; A415-A427 WeakPolarHBondContact CB-O 3.27Å; A415-A427 WeakPolarHBondContact O-CB 3.37Å; A415-W430 HydrophobicContact CB-CB 3.81Å; A415-M431 HydrophobicContact CB-CG 3.63Å; A415-M431 HydrophobicContact CB-SD 3.79Å; A415-Y451 HydrophobicContact CB-CD1 4.41Å; A415-Y451 HydrophobicContact CB-CE1 3.93Å |
| 416 | K | 97.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 178.8 | -173.7 | -176.1 | 168.4 | -157.9 | 0 | 112.4 | D385 L412 I413 K414 K419 H420 | D385-K416 IonicContact OD2-NZ 2.89Å; L412-K416 WeakPolarHBondContact O-CB 3.44Å; L412-K416 PolarHBondContact O-N 2.95Å; I413-K416 HydrophobicContact CD1-CD 4.17Å; I413-K416 CarbonylContact O-C 3.53Å; I413-K416 WeakPolarHBondContact O-CA 3.13Å; I413-K416 WeakPolarHBondContact O-CB 3.38Å; I413-K416 PolarHBondContact O-N 2.7Å; K414-K416 VanDerWaalsContact C-N 3.31Å; K414-K416 PolarHBondContact O-N 2.79Å; K416-K419 WeakPolarHBondContact O-CB 3.42Å; K416-K419 PolarHBondContact O-N 3.3Å; K416-H420 PolarHBondContact O-N 3.39Å |
| 417 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -52.5 | 175.6 | -66.6 | 159.1 | 0 | 0 | 0 | 109.8 | A381 D385 Q390 A393 L394 I397 I413 K414 A415 K419 H420 A421 | A381-I417 HydrophobicContact CB-CD1 4.46Å; D385-I417 HydrophobicContact CB-CG1 3.91Å; Q390-I417 HydrophobicContact CB-CG2 4.14Å; A393-I417 HydrophobicContact CB-CD1 3.78Å; A393-I417 HydrophobicContact CB-CG1 4.02Å; A393-I417 HydrophobicContact CB-CG2 4.14Å; L394-I417 HydrophobicContact CD2-CB 4.36Å; L394-I417 HydrophobicContact CD2-CG2 3.86Å; L394-I417 HydrophobicContact CG-CG2 3.8Å; I397-I417 HydrophobicContact CB-CD1 4.2Å; I397-I417 HydrophobicContact CG2-CD1 3.95Å; I413-I417 HydrophobicContact CG2-CD1 3.88Å; I413-I417 HydrophobicContact CG2-CG1 4.32Å; I413-I417 VanDerWaalsContact O-CG1 3.29Å; I413-I417 WeakPolarHBondContact O-CG1 3.45Å; I413-I417 PolarHBondContact O-N 3.32Å; K414-I417 PolarHBondContact O-N 3.11Å; A415-I417 PolarHBondContact O-N 2.93Å; I417-K419 VanDerWaalsContact C-N 3.27Å; I417-K419 PolarHBondContact O-N 3.46Å; I417-H420 CarbonylContact O-C 3.59Å; I417-H420 PolarHBondContact O-N 3.14Å; I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.14Å |
| 418 | Y | 98 | Very high | 97.1 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -37.9 | 177.6 | -81.5 | -69 | 0 | 0 | 0 | 113 | L394 K414 A415 A421 G422 N423 E426 W430 Y833 | L394-Y418 HydrophobicContact CD1-CE1 4.17Å; L394-Y418 HydrophobicContact CD2-CD2 4.15Å; L394-Y418 HydrophobicContact CD2-CE1 4.5Å; L394-Y418 HydrophobicContact CD2-CE2 3.61Å; K414-Y418 HydrophobicContact CG-CD2 4.16Å; K414-Y418 HydrophobicContact CG-CE2 3.96Å; K414-Y418 WeakPolarHBondContact O-CD2 3.48Å; K414-Y418 PolarHBondContact O-N 3.31Å; K414-Y418 VanDerWaalsContact O-N 3.1Å; A415-Y418 PolarHBondContact O-N 3.27Å; Y418-A421 CarbonylContact O-C 3.58Å; Y418-A421 PolarHBondContact O-N 2.7Å; Y418-G422 PolarHBondContact O-N 3.37Å; Y418-G422 VanDerWaalsContact O-N 3.16Å; Y418-N423 CarbonylContact C-O 3.47Å; Y418-N423 HydrophobicContact CD1-CB 4.26Å; Y418-N423 CarbonylContact O-C 3.55Å; Y418-N423 PolarHBondContact O-N 3.21Å; Y418-E426 HydrophobicContact CD1-CB 4.12Å; Y418-E426 HydrophobicContact CD1-CG 3.64Å; Y418-E426 HydrophobicContact CD2-CG 3.85Å; Y418-E426 HydrophobicContact CE1-CG 3.72Å; Y418-E426 HydrophobicContact CE2-CG 3.93Å; Y418-E426 HydrophobicContact CG-CB 4.18Å; Y418-E426 HydrophobicContact CG-CG 3.71Å; Y418-W430 AromaticContact CD2-CD1 3.52Å; Y418-W430 AromaticContact CD2-NE1 3.67Å; Y418-W430 AromaticContact CE2-CD1 3.71Å; Y418-W430 AromaticContact CE2-NE1 3.34Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.34Å; Y418-Y833 HydrophobicContact CE1-CD1 4.47Å |
| 419 | K | 97 | Very high | 97.1 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 27% | 0.274 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.5 | -178.3 | -146 | 70.3 | -168.2 | 0 | 111.5 | A415 K416 I417 A421 G422 I424 A427 Y451 | A415-K419 WeakPolarHBondContact O-CB 3.35Å; A415-K419 PolarHBondContact O-N 2.93Å; K416-K419 WeakPolarHBondContact O-CB 3.42Å; K416-K419 PolarHBondContact O-N 3.3Å; I417-K419 VanDerWaalsContact C-N 3.27Å; I417-K419 PolarHBondContact O-N 3.46Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-G422 PolarHBondContact O-N 3.36Å; K419-I424 HydrophobicContact CB-CD1 4.34Å; K419-I424 HydrophobicContact CG-CD1 3.79Å; K419-A427 HydrophobicContact CB-CB 3.97Å; K419-Y451 HydrophobicContact CB-CE1 3.92Å; K419-Y451 HydrophobicContact CD-CE1 4.22Å; K419-Y451 HydrophobicContact CD-CE2 4.46Å; K419-Y451 HydrophobicContact CG-CE1 4.3Å |
| 420 | H | 95.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 34% | 0.338 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -70.5 | -30.7 | 175.3 | -66.4 | 161 | 0 | 0 | 0 | 112.7 | D385 K416 I417 G422 I798 | D385-H420 WeakPolarHBondContact OD1-CB 3.41Å; D385-H420 IonicContact OD1-CE1 3.77Å; D385-H420 IonicContact OD1-CG 2.81Å; D385-H420 IonicContact OD1-ND1 3.28Å; D385-H420 PolarHBondContact OD1-ND1 3.09Å; D385-H420 IonicContact OD2-CE1 3.66Å; D385-H420 PolarHBondContact OD2-CE1 3.2Å; D385-H420 VanDerWaalsContact OD2-CE1 3.26Å; D385-H420 IonicContact OD2-ND1 2.73Å; D385-H420 PolarHBondContact OD2-ND1 3.33Å; K416-H420 PolarHBondContact O-N 3.39Å; I417-H420 CarbonylContact O-C 3.59Å; I417-H420 PolarHBondContact O-N 3.14Å; H420-G422 PolarHBondContact O-N 3.18Å; H420-I798 WeakPolarHBondContact O-CD1 3.31Å |
| 421 | A | 95.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -1.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q390 I417 Y418 K419 Y833 T834 | Q390-A421 HydrophobicContact CB-CB 4.16Å; Q390-A421 HydrophobicContact CG-CB 3.85Å; I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.14Å; Y418-A421 CarbonylContact O-C 3.58Å; Y418-A421 PolarHBondContact O-N 2.7Å; K419-A421 VanDerWaalsContact C-N 3.34Å; A421-Y833 HydrophobicContact CB-CD2 4.16Å; A421-Y833 HydrophobicContact CB-CG 4.28Å; A421-Y833 CarbonylContact O-C 3.5Å; A421-T834 VanDerWaalsContact O-CA 3.31Å; A421-T834 WeakPolarHBondContact O-CA 3.3Å; A421-T834 PolarHBondContact O-N 3.13Å; A421-T834 PolarHBondContact O-OG1 3.3Å |
| 422 | G | 94.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 15.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y418 K419 H420 L835 | Y418-G422 PolarHBondContact O-N 3.37Å; Y418-G422 VanDerWaalsContact O-N 3.16Å; K419-G422 PolarHBondContact O-N 3.36Å; H420-G422 PolarHBondContact O-N 3.18Å; G422-L835 PolarHBondContact O-N 3.44Å |
| 423 | N | 96.2 | Very high | 97.1 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 6% | 0.064 | 17% | 0.167 | C | C | . | . | trans | -111.7 | 81.8 | 174.3 | -162.2 | -21.2 | 0 | 0 | 0 | 111.7 | Y418 R425 E426 A427 Y833 L835 | Y418-N423 CarbonylContact C-O 3.47Å; Y418-N423 HydrophobicContact CD1-CB 4.26Å; Y418-N423 CarbonylContact O-C 3.55Å; Y418-N423 PolarHBondContact O-N 3.21Å; N423-R425 VanDerWaalsContact C-N 3.33Å; N423-R425 PolarHBondContact O-N 3.29Å; N423-E426 HydrophobicContact CB-CB 4.14Å; N423-E426 VanDerWaalsContact CG-CB 3.42Å; N423-E426 WeakPolarHBondContact OD1-CB 3.48Å; N423-E426 PolarHBondContact OD1-N 3.25Å; N423-A427 WeakPolarHBondContact O-CB 3.3Å; N423-A427 PolarHBondContact O-N 3.27Å; N423-A427 VanDerWaalsContact O-N 3.13Å; N423-Y833 WeakPolarHBondContact CB-O 3.25Å; N423-L835 HydrophobicContact CB-CG 4.41Å | ||
| 424 | I | 96 | Very high | 97.1 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.4 | -26.5 | -176.9 | -168.3 | 63.1 | 0 | 0 | 0 | 113.6 | K419 A427 A428 Y451 K454 A455 L835 | K419-I424 HydrophobicContact CB-CD1 4.34Å; K419-I424 HydrophobicContact CG-CD1 3.79Å; I424-A427 HydrophobicContact CD1-CB 4.46Å; I424-A428 PolarHBondContact O-N 3.45Å; I424-Y451 HydrophobicContact CD1-CD1 4.36Å; I424-K454 HydrophobicContact CD1-CB 3.65Å; I424-K454 HydrophobicContact CD1-CD 4.19Å; I424-K454 HydrophobicContact CG1-CB 3.59Å; I424-A455 HydrophobicContact CG1-CB 4.14Å; I424-A455 HydrophobicContact CG2-CB 4.11Å; I424-L835 HydrophobicContact CG2-CD1 4.43Å |
| 425 | R | 95 | Very high | 97.1 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 36% | 0.355 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -70.7 | -49.5 | 179.7 | -69.8 | -171.3 | -176.5 | 164.6 | 10.6 | 110.8 | N423 A427 A428 Q429 A455 L835 E843 | N423-R425 VanDerWaalsContact C-N 3.33Å; N423-R425 PolarHBondContact O-N 3.29Å; R425-A427 VanDerWaalsContact C-N 3.27Å; R425-A427 PolarHBondContact O-N 3.19Å; R425-A428 WeakPolarHBondContact O-CB 3.32Å; R425-A428 PolarHBondContact O-N 2.91Å; R425-A428 VanDerWaalsContact O-N 3.08Å; R425-Q429 PolarHBondContact O-N 3.32Å; R425-A455 HydrophobicContact CG-CB 4.27Å; R425-L835 HydrophobicContact CB-CD1 4.43Å; R425-L835 HydrophobicContact CG-CD1 4.18Å; R425-E843 IonicContact CZ-OE1 3.19Å; R425-E843 IonicContact CZ-OE2 3.75Å; R425-E843 VanDerWaalsContact CZ-OE2 3.28Å; R425-E843 IonicContact NH1-OE1 3.63Å; R425-E843 PolarHBondContact NH1-OE1 3.18Å; R425-E843 IonicContact NH1-OE2 2.96Å; R425-E843 PolarHBondContact NH1-OE2 3.08Å; R425-E843 IonicContact NH2-OE1 2.86Å; R425-E843 PolarHBondContact NH2-OE1 3.47Å; R425-E843 IonicContact NH2-OE2 3.5Å; R425-E843 PolarHBondContact NH2-OE2 3.1Å |
| 426 | E | 96.6 | Very high | 97 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 173 | -171.2 | 65.6 | -152.1 | 0 | 0 | 110.7 | Y418 N423 A428 Q429 W430 | Y418-E426 HydrophobicContact CD1-CB 4.12Å; Y418-E426 HydrophobicContact CD1-CG 3.64Å; Y418-E426 HydrophobicContact CD2-CG 3.85Å; Y418-E426 HydrophobicContact CE1-CG 3.72Å; Y418-E426 HydrophobicContact CE2-CG 3.93Å; Y418-E426 HydrophobicContact CG-CB 4.18Å; Y418-E426 HydrophobicContact CG-CG 3.71Å; N423-E426 HydrophobicContact CB-CB 4.14Å; N423-E426 VanDerWaalsContact CG-CB 3.42Å; N423-E426 WeakPolarHBondContact OD1-CB 3.48Å; N423-E426 PolarHBondContact OD1-N 3.25Å; E426-A428 VanDerWaalsContact C-N 3.26Å; E426-A428 PolarHBondContact O-N 3.43Å; E426-Q429 WeakPolarHBondContact O-CB 3.45Å; E426-Q429 PolarHBondContact O-N 3.25Å; E426-Q429 VanDerWaalsContact O-N 3.11Å; E426-Q429 PolarHBondContact OE2-OE1 3.11Å; E426-W430 PolarHBondContact O-N 3.3Å; E426-W430 VanDerWaalsContact O-N 3.16Å; E426-W430 PolarHBondContact OE1-NE1 3.41Å |
| 427 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A415 K419 N423 I424 R425 M431 Y451 | A415-A427 VanDerWaalsContact CB-O 3.28Å; A415-A427 WeakPolarHBondContact CB-O 3.27Å; A415-A427 WeakPolarHBondContact O-CB 3.37Å; K419-A427 HydrophobicContact CB-CB 3.97Å; N423-A427 WeakPolarHBondContact O-CB 3.3Å; N423-A427 PolarHBondContact O-N 3.27Å; N423-A427 VanDerWaalsContact O-N 3.13Å; I424-A427 HydrophobicContact CD1-CB 4.46Å; R425-A427 VanDerWaalsContact C-N 3.27Å; R425-A427 PolarHBondContact O-N 3.19Å; A427-M431 WeakPolarHBondContact O-CG 3.39Å; A427-M431 PolarHBondContact O-N 3.26Å; A427-Y451 HydrophobicContact CB-CD1 3.7Å; A427-Y451 HydrophobicContact CB-CE1 3.88Å |
| 428 | A | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.4 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I424 R425 E426 M431 D432 M452 A455 | I424-A428 PolarHBondContact O-N 3.45Å; R425-A428 WeakPolarHBondContact O-CB 3.32Å; R425-A428 PolarHBondContact O-N 2.91Å; R425-A428 VanDerWaalsContact O-N 3.08Å; E426-A428 VanDerWaalsContact C-N 3.26Å; E426-A428 PolarHBondContact O-N 3.43Å; A428-M431 WeakPolarHBondContact O-CB 3.42Å; A428-M431 PolarHBondContact O-N 3.26Å; A428-D432 PolarHBondContact O-N 3.11Å; A428-M452 HydrophobicContact CB-CG 4.44Å; A428-A455 HydrophobicContact CB-CB 4.42Å |
| 429 | Q | 97.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 45 Ų | 45 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 175.4 | -67.2 | 172.8 | -27 | 0 | 0 | 111.5 | R425 E426 M431 D432 E433 | R425-Q429 PolarHBondContact O-N 3.32Å; E426-Q429 WeakPolarHBondContact O-CB 3.45Å; E426-Q429 PolarHBondContact O-N 3.25Å; E426-Q429 VanDerWaalsContact O-N 3.11Å; E426-Q429 PolarHBondContact OE2-OE1 3.11Å; Q429-M431 PolarHBondContact O-N 3.19Å; Q429-D432 WeakPolarHBondContact O-CA 3.41Å; Q429-D432 WeakPolarHBondContact O-CB 3.15Å; Q429-D432 PolarHBondContact O-N 3.36Å; Q429-E433 PolarHBondContact O-N 2.94Å |
| 430 | W | 98.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -31.8 | 175.8 | -68.2 | 108.2 | 0 | 0 | 0 | 113 | F411 K414 A415 Y418 E426 E433 A434 | F411-W430 AromaticContact CD1-CE3 3.94Å; F411-W430 HydrophobicContact CD1-CE3 3.94Å; F411-W430 HydrophobicContact CD1-CZ3 4.29Å; F411-W430 HydrophobicContact CE1-CE3 4.39Å; F411-W430 HydrophobicContact CE1-CZ3 4.28Å; K414-W430 HydrophobicContact CD-CD2 3.69Å; K414-W430 HydrophobicContact CD-CE3 3.8Å; K414-W430 HydrophobicContact CD-CG 4.3Å; K414-W430 HydrophobicContact CD-CH2 4.24Å; K414-W430 HydrophobicContact CD-CZ2 4.12Å; K414-W430 HydrophobicContact CD-CZ3 4.06Å; K414-W430 HydrophobicContact CG-CD2 4Å; K414-W430 HydrophobicContact CG-CE3 4.49Å; K414-W430 HydrophobicContact CG-CG 4.08Å; A415-W430 HydrophobicContact CB-CB 3.81Å; Y418-W430 AromaticContact CD2-CD1 3.52Å; Y418-W430 AromaticContact CD2-NE1 3.67Å; Y418-W430 AromaticContact CE2-CD1 3.71Å; Y418-W430 AromaticContact CE2-NE1 3.34Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.34Å; E426-W430 PolarHBondContact O-N 3.3Å; E426-W430 VanDerWaalsContact O-N 3.16Å; E426-W430 PolarHBondContact OE1-NE1 3.41Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.47Å; W430-A434 WeakPolarHBondContact O-CB 3.31Å; W430-A434 PolarHBondContact O-N 2.87Å |
| 431 | M | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.5 | -32.1 | 172.3 | -79.1 | -56.8 | -39.5 | 0 | 0 | 113.1 | L412 A415 A427 A428 Q429 A434 Q435 I444 K447 C448 Y451 | L412-M431 HydrophobicContact CD2-CE 3.25Å; L412-M431 HydrophobicContact CD2-SD 3.48Å; L412-M431 WeakPolarHBondContact CD2-SD 3.33Å; A415-M431 HydrophobicContact CB-CG 3.63Å; A415-M431 HydrophobicContact CB-SD 3.79Å; A427-M431 WeakPolarHBondContact O-CG 3.39Å; A427-M431 PolarHBondContact O-N 3.26Å; A428-M431 WeakPolarHBondContact O-CB 3.42Å; A428-M431 PolarHBondContact O-N 3.26Å; Q429-M431 PolarHBondContact O-N 3.19Å; M431-A434 WeakPolarHBondContact O-CB 3.38Å; M431-Q435 WeakPolarHBondContact O-CB 3.41Å; M431-Q435 PolarHBondContact O-N 3.18Å; M431-I444 HydrophobicContact CE-CG2 4.23Å; M431-K447 HydrophobicContact CE-CB 3.34Å; M431-K447 HydrophobicContact CE-CG 4.49Å; M431-K447 HydrophobicContact SD-CB 4.29Å; M431-C448 HydrophobicContact CB-CB 4.1Å; M431-C448 HydrophobicContact CE-CB 4.35Å; M431-Y451 HydrophobicContact CG-CD1 3.53Å; M431-Y451 HydrophobicContact CG-CD2 4.17Å; M431-Y451 HydrophobicContact CG-CE1 3.93Å; M431-Y451 HydrophobicContact CG-CG 3.65Å; M431-Y451 HydrophobicContact SD-CE1 4.49Å |
| 432 | D | 97.9 | Very high | 97.1 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 177.2 | -161.9 | 24.5 | 0 | 0 | 0 | 110.8 | A428 Q429 A434 Q435 A436 M452 M464 | A428-D432 PolarHBondContact O-N 3.11Å; Q429-D432 WeakPolarHBondContact O-CA 3.41Å; Q429-D432 WeakPolarHBondContact O-CB 3.15Å; Q429-D432 PolarHBondContact O-N 3.36Å; D432-A434 VanDerWaalsContact C-N 3.34Å; D432-A434 PolarHBondContact O-N 3.33Å; D432-Q435 CarbonylContact O-C 3.59Å; D432-Q435 WeakPolarHBondContact O-CB 3.42Å; D432-Q435 PolarHBondContact O-N 3.25Å; D432-Q435 VanDerWaalsContact O-N 3.09Å; D432-A436 PolarHBondContact O-N 3.41Å; D432-M452 HydrophobicContact CB-CE 4.31Å; D432-M464 WeakPolarHBondContact OD1-CE 3.44Å |
| 433 | E | 97.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 169.3 | -69.9 | -175.7 | -159.9 | 0 | 0 | 111.8 | F411 Q429 W430 Q435 A436 L437 | F411-E433 HydrophobicContact CD1-CB 4.18Å; Q429-E433 PolarHBondContact O-N 2.94Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.47Å; E433-Q435 VanDerWaalsContact C-N 3.25Å; E433-Q435 PolarHBondContact O-N 2.87Å; E433-A436 PolarHBondContact O-N 3.12Å; E433-L437 PolarHBondContact O-N 3.1Å |
| 434 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I408 F411 L412 W430 M431 D432 I444 | I408-A434 HydrophobicContact CG2-CB 3.99Å; F411-A434 HydrophobicContact CB-CB 3.68Å; L412-A434 HydrophobicContact CD2-CB 4.05Å; W430-A434 WeakPolarHBondContact O-CB 3.31Å; W430-A434 PolarHBondContact O-N 2.87Å; M431-A434 WeakPolarHBondContact O-CB 3.38Å; D432-A434 VanDerWaalsContact C-N 3.34Å; D432-A434 PolarHBondContact O-N 3.33Å; A434-I444 HydrophobicContact CB-CG2 4.08Å |
| 435 | Q | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -36.2 | 178.5 | -166.5 | -77.3 | -66.6 | 0 | 0 | 112 | M431 D432 E433 L437 D438 T439 I444 N445 C448 M464 | M431-Q435 WeakPolarHBondContact O-CB 3.41Å; M431-Q435 PolarHBondContact O-N 3.18Å; D432-Q435 CarbonylContact O-C 3.59Å; D432-Q435 WeakPolarHBondContact O-CB 3.42Å; D432-Q435 PolarHBondContact O-N 3.25Å; D432-Q435 VanDerWaalsContact O-N 3.09Å; E433-Q435 VanDerWaalsContact C-N 3.25Å; E433-Q435 PolarHBondContact O-N 2.87Å; Q435-L437 VanDerWaalsContact C-N 3.27Å; Q435-L437 PolarHBondContact O-N 3.45Å; Q435-D438 CarbonylContact O-C 3.48Å; Q435-D438 PolarHBondContact O-N 3.39Å; Q435-T439 PolarHBondContact O-N 3.16Å; Q435-I444 HydrophobicContact CB-CG2 3.99Å; Q435-I444 HydrophobicContact CG-CG2 4.49Å; Q435-N445 HydrophobicContact CG-CB 4.3Å; Q435-C448 HydrophobicContact CB-CB 4.2Å; Q435-C448 HydrophobicContact CG-CB 4.4Å; Q435-M464 HydrophobicContact CG-CE 4.3Å; Q435-M464 HydrophobicContact CG-SD 3.74Å; Q435-M464 PolarHBondContact OE1-SD 3.29Å |
| 436 | A | 97.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 56% | 0.562 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.4 | -30.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D432 E433 D438 | D432-A436 PolarHBondContact O-N 3.41Å; E433-A436 PolarHBondContact O-N 3.12Å; A436-D438 VanDerWaalsContact C-N 3.35Å |
| 437 | L | 96.7 | Very high | 97.7 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.9 | -29.4 | 176 | -69.9 | 174.1 | 0 | 0 | 0 | 113.4 | I408 F411 E433 Q435 | I408-L437 HydrophobicContact CG1-CB 3.93Å; I408-L437 HydrophobicContact CG1-CD1 4.36Å; F411-L437 HydrophobicContact CD2-CD1 3.74Å; F411-L437 HydrophobicContact CE2-CD1 3.55Å; F411-L437 HydrophobicContact CG-CD1 4.39Å; F411-L437 HydrophobicContact CZ-CD1 4.04Å; E433-L437 PolarHBondContact O-N 3.1Å; Q435-L437 VanDerWaalsContact C-N 3.27Å; Q435-L437 PolarHBondContact O-N 3.45Å |
| 438 | D | 96.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | trans | -141.1 | 95.6 | 172.3 | -171.8 | -10.5 | 0 | 0 | 0 | 111.2 | I408 Q435 A436 A440 D441 I444 | I408-D438 HydrophobicContact CD1-CB 3.52Å; Q435-D438 CarbonylContact O-C 3.48Å; Q435-D438 PolarHBondContact O-N 3.39Å; A436-D438 VanDerWaalsContact C-N 3.35Å; D438-A440 VanDerWaalsContact C-N 3.25Å; D438-A440 PolarHBondContact O-N 2.95Å; D438-A440 WeakPolarHBondContact OD1-CB 3.42Å; D438-A440 PolarHBondContact OD1-N 3.29Å; D438-D441 PolarHBondContact OD1-N 2.89Å; D438-I444 HydrophobicContact CB-CD1 4.31Å | ||
| 439 | T | 96.6 | Very high | 97.7 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 60% | 0.595 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.7 | -10.8 | -179.5 | 57.1 | 0 | 0 | 0 | 0 | 114 | Q435 F468 | Q435-T439 PolarHBondContact O-N 3.16Å; T439-F468 WeakPolarHBondContact O-CZ 3.48Å |
| 440 | A | 97.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -89.9 | -23.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | D438 R442 F468 | D438-A440 VanDerWaalsContact C-N 3.25Å; D438-A440 PolarHBondContact O-N 2.95Å; D438-A440 WeakPolarHBondContact OD1-CB 3.42Å; D438-A440 PolarHBondContact OD1-N 3.29Å; A440-R442 PolarHBondContact O-N 3.37Å; A440-F468 WeakPolarHBondContact O-CE1 3.26Å; A440-F468 WeakPolarHBondContact O-CZ 3.4Å |
| 441 | D | 97.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | trans | -81.1 | 110.1 | -178.5 | -171.9 | -2.4 | 0 | 0 | 0 | 113.3 | D438 F443 I444 N445 | D438-D441 PolarHBondContact OD1-N 2.89Å; D441-F443 VanDerWaalsContact C-N 3.29Å; D441-F443 PolarHBondContact O-N 3.21Å; D441-F443 VanDerWaalsContact OD1-CB 3.29Å; D441-F443 WeakPolarHBondContact OD1-CB 3.33Å; D441-F443 PolarHBondContact OD1-N 3.47Å; D441-I444 HydrophobicContact CB-CD1 3.93Å; D441-I444 HydrophobicContact CB-CG1 4.4Å; D441-I444 PolarHBondContact O-N 3.35Å; D441-I444 WeakPolarHBondContact OD2-CD1 3.38Å; D441-N445 PolarHBondContact O-N 3.07Å | ||
| 442 | R | 98 | Very high | 97.8 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -26.9 | 176.4 | -165.5 | 175.3 | -174.7 | -178 | 5.3 | 113.4 | A440 S446 F468 | A440-R442 PolarHBondContact O-N 3.37Å; R442-S446 VanDerWaalsContact O-CB 3.29Å; R442-S446 WeakPolarHBondContact O-CB 3.49Å; R442-S446 PolarHBondContact O-N 3.02Å; R442-S446 PolarHBondContact O-OG 3.31Å; R442-F468 HydrophobicContact CB-CD1 3.86Å; R442-F468 HydrophobicContact CB-CE1 3.73Å; R442-F468 HydrophobicContact CB-CG 4.34Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.3Å; R442-F468 HydrophobicContact CG-CD1 3.83Å; R442-F468 HydrophobicContact CG-CD2 4.34Å; R442-F468 HydrophobicContact CG-CE1 4.21Å; R442-F468 HydrophobicContact CG-CG 3.9Å |
| 443 | F | 98 | Very high | 97.8 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -49.9 | 178 | 169.7 | -98.5 | 0 | 0 | 0 | 110.9 | L412 D441 S446 K447 | L412-F443 HydrophobicContact CD1-CE1 4.22Å; D441-F443 VanDerWaalsContact C-N 3.29Å; D441-F443 PolarHBondContact O-N 3.21Å; D441-F443 VanDerWaalsContact OD1-CB 3.29Å; D441-F443 WeakPolarHBondContact OD1-CB 3.33Å; D441-F443 PolarHBondContact OD1-N 3.47Å; F443-S446 PolarHBondContact O-N 2.73Å; F443-K447 HydrophobicContact CE1-CG 4.18Å; F443-K447 HydrophobicContact CE2-CG 4.28Å; F443-K447 HydrophobicContact CZ-CD 4.45Å; F443-K447 VanDerWaalsContact CZ-CE 3.48Å; F443-K447 HydrophobicContact CZ-CG 4.05Å; F443-K447 WeakPolarHBondContact O-CG 3.41Å; F443-K447 PolarHBondContact O-N 3.5Å |
| 444 | I | 97.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 179.2 | -59.7 | 160.1 | 0 | 0 | 0 | 109.8 | I408 L412 M431 A434 Q435 D438 D441 S446 K447 C448 | I408-I444 HydrophobicContact CB-CD1 4.4Å; I408-I444 HydrophobicContact CD1-CD1 3.95Å; I408-I444 HydrophobicContact CG2-CD1 3.51Å; I408-I444 HydrophobicContact CG2-CG1 4.21Å; L412-I444 HydrophobicContact CD2-CG2 4.36Å; M431-I444 HydrophobicContact CE-CG2 4.23Å; A434-I444 HydrophobicContact CB-CG2 4.08Å; Q435-I444 HydrophobicContact CB-CG2 3.99Å; Q435-I444 HydrophobicContact CG-CG2 4.49Å; D438-I444 HydrophobicContact CB-CD1 4.31Å; D441-I444 HydrophobicContact CB-CD1 3.93Å; D441-I444 HydrophobicContact CB-CG1 4.4Å; D441-I444 PolarHBondContact O-N 3.35Å; D441-I444 WeakPolarHBondContact OD2-CD1 3.38Å; I444-S446 VanDerWaalsContact C-N 3.34Å; I444-S446 PolarHBondContact O-N 3.17Å; I444-K447 WeakPolarHBondContact O-CB 3.36Å; I444-K447 PolarHBondContact O-N 3.26Å; I444-K447 VanDerWaalsContact O-N 3.16Å; I444-C448 WeakPolarHBondContact O-CB 3.43Å; I444-C448 PolarHBondContact O-N 3.4Å |
| 445 | N | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.3 | -47.7 | 173.2 | -179.6 | -83.2 | 0 | 0 | 0 | 112.4 | Q435 D441 K447 C448 A449 M464 F468 | Q435-N445 HydrophobicContact CG-CB 4.3Å; D441-N445 PolarHBondContact O-N 3.07Å; N445-K447 VanDerWaalsContact C-N 3.35Å; N445-K447 PolarHBondContact O-N 2.86Å; N445-C448 PolarHBondContact O-N 2.98Å; N445-A449 PolarHBondContact O-N 3.34Å; N445-M464 PolarHBondContact ND2-O 3.37Å; N445-M464 PolarHBondContact ND2-SD 3.03Å; N445-M464 PolarHBondContact OD1-O 2.8Å; N445-F468 HydrophobicContact CB-CD2 3.95Å; N445-F468 HydrophobicContact CB-CE2 3.52Å; N445-F468 HydrophobicContact CB-CZ 4.38Å; N445-F468 VanDerWaalsContact CG-CD2 3.43Å; N445-F468 VanDerWaalsContact CG-CE2 3.43Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.33Å |
| 446 | S | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | R442 F443 I444 K450 W486 | R442-S446 VanDerWaalsContact O-CB 3.29Å; R442-S446 WeakPolarHBondContact O-CB 3.49Å; R442-S446 PolarHBondContact O-N 3.02Å; R442-S446 PolarHBondContact O-OG 3.31Å; F443-S446 PolarHBondContact O-N 2.73Å; I444-S446 VanDerWaalsContact C-N 3.34Å; I444-S446 PolarHBondContact O-N 3.17Å; S446-K450 WeakPolarHBondContact O-CB 3.47Å; S446-K450 PolarHBondContact O-N 3.32Å; S446-W486 WeakPolarHBondContact O-CH2 3.48Å |
| 447 | K | 98.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 48 Ų | 48 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.4 | -74.7 | -73.5 | -170.9 | 174.8 | 0 | 111.6 | M431 F443 I444 N445 K450 Y451 | M431-K447 HydrophobicContact CE-CB 3.34Å; M431-K447 HydrophobicContact CE-CG 4.49Å; M431-K447 HydrophobicContact SD-CB 4.29Å; F443-K447 HydrophobicContact CE1-CG 4.18Å; F443-K447 HydrophobicContact CE2-CG 4.28Å; F443-K447 HydrophobicContact CZ-CD 4.45Å; F443-K447 VanDerWaalsContact CZ-CE 3.48Å; F443-K447 HydrophobicContact CZ-CG 4.05Å; F443-K447 WeakPolarHBondContact O-CG 3.41Å; F443-K447 PolarHBondContact O-N 3.5Å; I444-K447 WeakPolarHBondContact O-CB 3.36Å; I444-K447 PolarHBondContact O-N 3.26Å; I444-K447 VanDerWaalsContact O-N 3.16Å; N445-K447 VanDerWaalsContact C-N 3.35Å; N445-K447 PolarHBondContact O-N 2.86Å; K447-K450 WeakPolarHBondContact O-CB 3.45Å; K447-K450 PolarHBondContact O-N 2.83Å; K447-Y451 VanDerWaalsContact O-CD2 3.27Å; K447-Y451 WeakPolarHBondContact O-CD2 3.44Å; K447-Y451 PolarHBondContact O-N 3.21Å |
| 448 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -52.8 | 177.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | M431 Q435 I444 N445 K450 Y451 M452 M464 | M431-C448 HydrophobicContact CB-CB 4.1Å; M431-C448 HydrophobicContact CE-CB 4.35Å; Q435-C448 HydrophobicContact CB-CB 4.2Å; Q435-C448 HydrophobicContact CG-CB 4.4Å; I444-C448 WeakPolarHBondContact O-CB 3.43Å; I444-C448 PolarHBondContact O-N 3.4Å; N445-C448 PolarHBondContact O-N 2.98Å; C448-K450 VanDerWaalsContact C-N 3.27Å; C448-K450 PolarHBondContact O-N 3.46Å; C448-Y451 PolarHBondContact O-N 3.28Å; C448-M452 WeakPolarHBondContact O-CG 3.39Å; C448-M452 PolarHBondContact O-N 3.26Å; C448-M452 WeakPolarHBondContact SG-CE 3.13Å; C448-M464 HydrophobicContact CB-CG 4.31Å |
| 449 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.1 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N445 Y451 M452 L453 A461 M464 C465 W486 | N445-A449 PolarHBondContact O-N 3.34Å; A449-Y451 PolarHBondContact O-N 3.45Å; A449-M452 PolarHBondContact O-N 3.09Å; A449-L453 WeakPolarHBondContact O-CG 3.3Å; A449-L453 PolarHBondContact O-N 3.32Å; A449-A461 HydrophobicContact CB-CB 4.28Å; A449-A461 WeakPolarHBondContact O-CB 3.38Å; A449-M464 HydrophobicContact CB-CB 4.27Å; A449-M464 HydrophobicContact CB-CG 4.18Å; A449-C465 WeakPolarHBondContact CB-SG 3.48Å; A449-W486 HydrophobicContact CB-CH2 4.32Å |
| 450 | K | 98.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 27% | 0.274 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 175 | 178.9 | 170.5 | -178.3 | 164.9 | 0 | 112.9 | S446 K447 C448 K454 W486 E490 | S446-K450 WeakPolarHBondContact O-CB 3.47Å; S446-K450 PolarHBondContact O-N 3.32Å; K447-K450 WeakPolarHBondContact O-CB 3.45Å; K447-K450 PolarHBondContact O-N 2.83Å; C448-K450 VanDerWaalsContact C-N 3.27Å; C448-K450 PolarHBondContact O-N 3.46Å; K450-K454 WeakPolarHBondContact O-CG 3.45Å; K450-K454 PolarHBondContact O-N 3.43Å; K450-K454 VanDerWaalsContact O-N 3.15Å; K450-W486 HydrophobicContact CB-CZ3 3.9Å; K450-E490 VanDerWaalsContact CE-OE1 3.27Å; K450-E490 WeakPolarHBondContact CE-OE1 3.3Å; K450-E490 HydrophobicContact CG-CG 4.23Å; K450-E490 IonicContact NZ-OE1 2.59Å |
| 451 | Y | 98.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73 | -39.7 | 179.1 | -84.9 | -132.5 | 0 | 0 | 0 | 111 | A415 K419 I424 A427 M431 K447 C448 A449 L453 K454 A455 | A415-Y451 HydrophobicContact CB-CD1 4.41Å; A415-Y451 HydrophobicContact CB-CE1 3.93Å; K419-Y451 HydrophobicContact CB-CE1 3.92Å; K419-Y451 HydrophobicContact CD-CE1 4.22Å; K419-Y451 HydrophobicContact CD-CE2 4.46Å; K419-Y451 HydrophobicContact CG-CE1 4.3Å; I424-Y451 HydrophobicContact CD1-CD1 4.36Å; A427-Y451 HydrophobicContact CB-CD1 3.7Å; A427-Y451 HydrophobicContact CB-CE1 3.88Å; M431-Y451 HydrophobicContact CG-CD1 3.53Å; M431-Y451 HydrophobicContact CG-CD2 4.17Å; M431-Y451 HydrophobicContact CG-CE1 3.93Å; M431-Y451 HydrophobicContact CG-CG 3.65Å; M431-Y451 HydrophobicContact SD-CE1 4.49Å; K447-Y451 VanDerWaalsContact O-CD2 3.27Å; K447-Y451 WeakPolarHBondContact O-CD2 3.44Å; K447-Y451 PolarHBondContact O-N 3.21Å; C448-Y451 PolarHBondContact O-N 3.28Å; A449-Y451 PolarHBondContact O-N 3.45Å; Y451-L453 PolarHBondContact O-N 2.85Å; Y451-K454 PolarHBondContact O-N 3.17Å; Y451-A455 PolarHBondContact O-N 2.81Å |
| 452 | M | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 170.4 | -71.2 | 170.7 | 169.6 | 0 | 0 | 111.6 | A428 D432 C448 A449 K454 A455 G456 M457 E460 A461 M464 | A428-M452 HydrophobicContact CB-CG 4.44Å; D432-M452 HydrophobicContact CB-CE 4.31Å; C448-M452 WeakPolarHBondContact O-CG 3.39Å; C448-M452 PolarHBondContact O-N 3.26Å; C448-M452 WeakPolarHBondContact SG-CE 3.13Å; A449-M452 PolarHBondContact O-N 3.09Å; M452-K454 VanDerWaalsContact C-N 3.35Å; M452-K454 PolarHBondContact O-N 2.8Å; M452-A455 CarbonylContact O-C 3.6Å; M452-A455 WeakPolarHBondContact O-CB 3.48Å; M452-A455 PolarHBondContact O-N 3.26Å; M452-A455 VanDerWaalsContact O-N 3.08Å; M452-G456 PolarHBondContact O-N 2.85Å; M452-G456 VanDerWaalsContact O-N 3.14Å; M452-M457 HydrophobicContact CB-CB 4.07Å; M452-M457 WeakPolarHBondContact O-CB 3.46Å; M452-M457 PolarHBondContact O-N 2.75Å; M452-E460 HydrophobicContact SD-CB 4.12Å; M452-A461 HydrophobicContact CB-CB 3.84Å; M452-M464 HydrophobicContact CE-CE 3.81Å; M452-M464 HydrophobicContact SD-CB 4.02Å; M452-M464 HydrophobicContact SD-CE 4.48Å; M452-M464 HydrophobicContact SD-CG 4.42Å |
| 453 | L | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.2 | -73.1 | 173 | 0 | 0 | 0 | 112.3 | A449 Y451 A455 G456 I458 A461 F487 E490 C491 A494 | A449-L453 WeakPolarHBondContact O-CG 3.3Å; A449-L453 PolarHBondContact O-N 3.32Å; Y451-L453 PolarHBondContact O-N 2.85Å; L453-A455 PolarHBondContact O-N 3.44Å; L453-G456 PolarHBondContact O-N 3.2Å; L453-I458 HydrophobicContact CD2-CB 4.42Å; L453-I458 HydrophobicContact CD2-CG1 4.14Å; L453-I458 HydrophobicContact CD2-CG2 4.3Å; L453-A461 HydrophobicContact CD2-CB 3.75Å; L453-A461 HydrophobicContact CG-CB 3.64Å; L453-F487 HydrophobicContact CD1-CD2 3.81Å; L453-F487 HydrophobicContact CD1-CE2 3.91Å; L453-E490 HydrophobicContact CB-CB 4.22Å; L453-E490 HydrophobicContact CD1-CB 3.69Å; L453-C491 VanDerWaalsContact CD2-SG 3.56Å; L453-A494 VanDerWaalsContact O-CB 3.27Å; L453-A494 WeakPolarHBondContact O-CB 3.45Å |
| 454 | K | 96.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.6 | -27.9 | 177 | -71.9 | -177.2 | -177.9 | -52.3 | 0 | 113.1 | I424 K450 Y451 M452 G456 E490 | I424-K454 HydrophobicContact CD1-CB 3.65Å; I424-K454 HydrophobicContact CD1-CD 4.19Å; I424-K454 HydrophobicContact CG1-CB 3.59Å; K450-K454 WeakPolarHBondContact O-CG 3.45Å; K450-K454 PolarHBondContact O-N 3.43Å; K450-K454 VanDerWaalsContact O-N 3.15Å; Y451-K454 PolarHBondContact O-N 3.17Å; M452-K454 VanDerWaalsContact C-N 3.35Å; M452-K454 PolarHBondContact O-N 2.8Å; K454-G456 VanDerWaalsContact C-N 3.28Å; K454-E490 VanDerWaalsContact NZ-CD 3.31Å; K454-E490 IonicContact NZ-OE1 3.49Å; K454-E490 PolarHBondContact NZ-OE1 2.76Å; K454-E490 IonicContact NZ-OE2 3.03Å; K454-E490 PolarHBondContact NZ-OE2 3.43Å |
| 455 | A | 95.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -4.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I424 R425 A428 Y451 M452 L453 M457 | I424-A455 HydrophobicContact CG1-CB 4.14Å; I424-A455 HydrophobicContact CG2-CB 4.11Å; R425-A455 HydrophobicContact CG-CB 4.27Å; A428-A455 HydrophobicContact CB-CB 4.42Å; Y451-A455 PolarHBondContact O-N 2.81Å; M452-A455 CarbonylContact O-C 3.6Å; M452-A455 WeakPolarHBondContact O-CB 3.48Å; M452-A455 PolarHBondContact O-N 3.26Å; M452-A455 VanDerWaalsContact O-N 3.08Å; L453-A455 PolarHBondContact O-N 3.44Å; A455-M457 HydrophobicContact CB-CG 4.27Å; A455-M457 HydrophobicContact CB-SD 4.24Å |
| 456 | G | 95.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 14.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M452 L453 K454 I458 M498 | M452-G456 PolarHBondContact O-N 2.85Å; M452-G456 VanDerWaalsContact O-N 3.14Å; L453-G456 PolarHBondContact O-N 3.2Å; K454-G456 VanDerWaalsContact C-N 3.28Å; G456-I458 PolarHBondContact O-N 2.8Å; G456-M498 VanDerWaalsContact C-CE 3.45Å; G456-M498 WeakPolarHBondContact O-CE 3.37Å |
| 457 | M | 96.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | trans | -91.8 | 69.9 | 178.2 | -63 | 173.3 | 65.2 | 0 | 0 | 109.9 | M452 A455 E460 A461 | M452-M457 HydrophobicContact CB-CB 4.07Å; M452-M457 WeakPolarHBondContact O-CB 3.46Å; M452-M457 PolarHBondContact O-N 2.75Å; A455-M457 HydrophobicContact CB-CG 4.27Å; A455-M457 HydrophobicContact CB-SD 4.24Å; M457-E460 VanDerWaalsContact CA-OE2 3.23Å; M457-E460 WeakPolarHBondContact CA-OE2 3.29Å; M457-E460 HydrophobicContact CB-CB 4.12Å; M457-E460 HydrophobicContact CB-CG 4.27Å; M457-E460 WeakPolarHBondContact CB-OE2 3.4Å; M457-E460 HydrophobicContact CE-CB 4.1Å; M457-E460 HydrophobicContact CE-CG 3.8Å; M457-A461 WeakPolarHBondContact O-CB 3.48Å; M457-A461 PolarHBondContact O-N 2.82Å; M457-A461 VanDerWaalsContact O-N 3.09Å | ||
| 458 | I | 96 | Very high | 97.2 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71 | -40.7 | -169.5 | -61.9 | 176.6 | 0 | 0 | 0 | 112 | L453 G456 A461 E462 A494 Y495 M498 | L453-I458 HydrophobicContact CD2-CB 4.42Å; L453-I458 HydrophobicContact CD2-CG1 4.14Å; L453-I458 HydrophobicContact CD2-CG2 4.3Å; G456-I458 PolarHBondContact O-N 2.8Å; I458-A461 PolarHBondContact O-N 3.49Å; I458-E462 WeakPolarHBondContact O-CG 3.41Å; I458-E462 PolarHBondContact O-N 2.88Å; I458-A494 HydrophobicContact CD1-CB 4.01Å; I458-A494 HydrophobicContact CG1-CB 4.18Å; I458-Y495 HydrophobicContact CD1-CD1 3.44Å; I458-Y495 VanDerWaalsContact CD1-CD1 3.44Å; I458-Y495 HydrophobicContact CD1-CD2 4.44Å; I458-Y495 HydrophobicContact CD1-CE1 3.31Å; I458-Y495 HydrophobicContact CD1-CE2 4.34Å; I458-Y495 HydrophobicContact CD1-CG 4.02Å; I458-Y495 HydrophobicContact CG2-CE1 4.37Å; I458-M498 HydrophobicContact CD1-CE 3.65Å; I458-M498 HydrophobicContact CD1-SD 3.87Å; I458-M498 HydrophobicContact CG1-CE 3.91Å |
| 459 | K | 96.1 | Very high | 97 | Very high | 150 Ų | 150 | 46.8 Ų | 46.8 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.4 | -42.5 | -178.4 | -70.2 | -175.9 | 177.3 | -177.6 | 0 | 111.1 | A461 E462 E463 | K459-A461 VanDerWaalsContact C-N 3.28Å; K459-A461 PolarHBondContact O-N 2.81Å; K459-E462 WeakPolarHBondContact O-CB 3.42Å; K459-E462 PolarHBondContact O-N 2.91Å; K459-E462 VanDerWaalsContact O-N 3.1Å; K459-E463 WeakPolarHBondContact O-CG 3.33Å; K459-E463 PolarHBondContact O-N 3.49Å |
| 460 | E | 97.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 177.4 | -56.4 | 88.7 | 152.3 | 0 | 0 | 110.3 | M452 M457 E463 M464 | M452-E460 HydrophobicContact SD-CB 4.12Å; M457-E460 VanDerWaalsContact CA-OE2 3.23Å; M457-E460 WeakPolarHBondContact CA-OE2 3.29Å; M457-E460 HydrophobicContact CB-CB 4.12Å; M457-E460 HydrophobicContact CB-CG 4.27Å; M457-E460 WeakPolarHBondContact CB-OE2 3.4Å; M457-E460 HydrophobicContact CE-CB 4.1Å; M457-E460 HydrophobicContact CE-CG 3.8Å; E460-E463 PolarHBondContact O-N 2.73Å; E460-M464 VanDerWaalsContact O-CB 3.26Å; E460-M464 WeakPolarHBondContact O-CB 3.19Å; E460-M464 PolarHBondContact O-N 3.34Å |
| 461 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | A449 M452 L453 M457 I458 K459 M464 C465 | A449-A461 HydrophobicContact CB-CB 4.28Å; A449-A461 WeakPolarHBondContact O-CB 3.38Å; M452-A461 HydrophobicContact CB-CB 3.84Å; L453-A461 HydrophobicContact CD2-CB 3.75Å; L453-A461 HydrophobicContact CG-CB 3.64Å; M457-A461 WeakPolarHBondContact O-CB 3.48Å; M457-A461 PolarHBondContact O-N 2.82Å; M457-A461 VanDerWaalsContact O-N 3.09Å; I458-A461 PolarHBondContact O-N 3.49Å; K459-A461 VanDerWaalsContact C-N 3.28Å; K459-A461 PolarHBondContact O-N 2.81Å; A461-M464 PolarHBondContact O-N 3.31Å; A461-C465 WeakPolarHBondContact O-CB 3.46Å; A461-C465 PolarHBondContact O-N 3.45Å |
| 462 | E | 96.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.4 | -71.9 | 171.2 | -172.3 | 0 | 0 | 111.5 | I458 K459 C465 S466 V476 F487 | I458-E462 WeakPolarHBondContact O-CG 3.41Å; I458-E462 PolarHBondContact O-N 2.88Å; K459-E462 WeakPolarHBondContact O-CB 3.42Å; K459-E462 PolarHBondContact O-N 2.91Å; K459-E462 VanDerWaalsContact O-N 3.1Å; E462-C465 PolarHBondContact O-N 2.97Å; E462-S466 WeakPolarHBondContact O-CB 3.46Å; E462-S466 PolarHBondContact O-N 3.28Å; E462-V476 HydrophobicContact CG-CG2 3.62Å; E462-V476 WeakPolarHBondContact OE1-CG2 3.47Å; E462-F487 HydrophobicContact CG-CZ 3.99Å |
| 463 | E | 96.8 | Very high | 94.7 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 174.8 | -70.8 | 170.4 | -170.4 | 0 | 0 | 111.9 | K459 E460 S466 | K459-E463 WeakPolarHBondContact O-CG 3.33Å; K459-E463 PolarHBondContact O-N 3.49Å; E460-E463 PolarHBondContact O-N 2.73Å; E463-S466 PolarHBondContact O-N 3.44Å; E463-S466 PolarHBondContact O-OG 3.15Å |
| 464 | M | 97.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.8 | -175.8 | 56.4 | 68.9 | 0 | 0 | 110.9 | D432 Q435 N445 C448 A449 M452 E460 A461 S466 K467 | D432-M464 WeakPolarHBondContact OD1-CE 3.44Å; Q435-M464 HydrophobicContact CG-CE 4.3Å; Q435-M464 HydrophobicContact CG-SD 3.74Å; Q435-M464 PolarHBondContact OE1-SD 3.29Å; N445-M464 PolarHBondContact ND2-O 3.37Å; N445-M464 PolarHBondContact ND2-SD 3.03Å; N445-M464 PolarHBondContact OD1-O 2.8Å; C448-M464 HydrophobicContact CB-CG 4.31Å; A449-M464 HydrophobicContact CB-CB 4.27Å; A449-M464 HydrophobicContact CB-CG 4.18Å; M452-M464 HydrophobicContact CE-CE 3.81Å; M452-M464 HydrophobicContact SD-CB 4.02Å; M452-M464 HydrophobicContact SD-CE 4.48Å; M452-M464 HydrophobicContact SD-CG 4.42Å; E460-M464 VanDerWaalsContact O-CB 3.26Å; E460-M464 WeakPolarHBondContact O-CB 3.19Å; E460-M464 PolarHBondContact O-N 3.34Å; A461-M464 PolarHBondContact O-N 3.31Å; M464-S466 VanDerWaalsContact C-N 3.3Å; M464-S466 PolarHBondContact O-N 3.5Å; M464-K467 WeakPolarHBondContact O-CB 3.16Å; M464-K467 WeakPolarHBondContact O-CG 3.48Å; M464-K467 HydrophobicContact SD-CD 3.94Å; M464-K467 PolarHBondContact SD-NZ 3.5Å |
| 465 | C | 97.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 175.8 | -79.2 | 0 | 0 | 0 | 0 | 113 | A449 A461 E462 K467 F468 L479 | A449-C465 WeakPolarHBondContact CB-SG 3.48Å; A461-C465 WeakPolarHBondContact O-CB 3.46Å; A461-C465 PolarHBondContact O-N 3.45Å; E462-C465 PolarHBondContact O-N 2.97Å; C465-K467 PolarHBondContact O-N 3.45Å; C465-K467 VanDerWaalsContact O-N 3.11Å; C465-F468 PolarHBondContact O-N 3.1Å; C465-L479 HydrophobicContact CB-CD1 3.95Å |
| 466 | S | 96.9 | Very high | 94 | Very high | 57 Ų | 57 | 63.7 Ų | 63.7 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -22.3 | -177.1 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | E462 E463 M464 F468 T469 | E462-S466 WeakPolarHBondContact O-CB 3.46Å; E462-S466 PolarHBondContact O-N 3.28Å; E463-S466 PolarHBondContact O-N 3.44Å; E463-S466 PolarHBondContact O-OG 3.15Å; M464-S466 VanDerWaalsContact C-N 3.3Å; M464-S466 PolarHBondContact O-N 3.5Å; S466-F468 PolarHBondContact O-N 3.21Å; S466-F468 VanDerWaalsContact O-N 3.14Å; S466-T469 WeakPolarHBondContact CA-OG1 3.27Å; S466-T469 PolarHBondContact O-N 3.43Å; S466-T469 PolarHBondContact O-OG1 2.8Å |
| 467 | K | 96.2 | Very high | 93.8 | Very high | 119 Ų | 119 | 66.1 Ų | 66.1 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.4 | 172.3 | -61 | 175.4 | -178.6 | 172.5 | 0 | 113.4 | M464 C465 | M464-K467 WeakPolarHBondContact O-CB 3.16Å; M464-K467 WeakPolarHBondContact O-CG 3.48Å; M464-K467 HydrophobicContact SD-CD 3.94Å; M464-K467 PolarHBondContact SD-NZ 3.5Å; C465-K467 PolarHBondContact O-N 3.45Å; C465-K467 VanDerWaalsContact O-N 3.11Å |
| 468 | F | 96.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 6.6 | -177.3 | -71.4 | -89.7 | 0 | 0 | 0 | 114.2 | T439 A440 R442 N445 C465 S466 | T439-F468 WeakPolarHBondContact O-CZ 3.48Å; A440-F468 WeakPolarHBondContact O-CE1 3.26Å; A440-F468 WeakPolarHBondContact O-CZ 3.4Å; R442-F468 HydrophobicContact CB-CD1 3.86Å; R442-F468 HydrophobicContact CB-CE1 3.73Å; R442-F468 HydrophobicContact CB-CG 4.34Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.3Å; R442-F468 HydrophobicContact CG-CD1 3.83Å; R442-F468 HydrophobicContact CG-CD2 4.34Å; R442-F468 HydrophobicContact CG-CE1 4.21Å; R442-F468 HydrophobicContact CG-CG 3.9Å; N445-F468 HydrophobicContact CB-CD2 3.95Å; N445-F468 HydrophobicContact CB-CE2 3.52Å; N445-F468 HydrophobicContact CB-CZ 4.38Å; N445-F468 VanDerWaalsContact CG-CD2 3.43Å; N445-F468 VanDerWaalsContact CG-CE2 3.43Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.33Å; C465-F468 PolarHBondContact O-N 3.1Å; S466-F468 PolarHBondContact O-N 3.21Å; S466-F468 VanDerWaalsContact O-N 3.14Å |
| 469 | T | 94.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 63.4 Ų | 63.4 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -96.8 | 156.8 | 177 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | S466 A475 N478 L479 | S466-T469 WeakPolarHBondContact CA-OG1 3.27Å; S466-T469 PolarHBondContact O-N 3.43Å; S466-T469 PolarHBondContact O-OG1 2.8Å; T469-A475 HydrophobicContact CG2-CB 4.01Å; T469-N478 WeakPolarHBondContact CB-OD1 3.18Å; T469-N478 HydrophobicContact CG2-CB 4.19Å; T469-N478 WeakPolarHBondContact CG2-OD1 3.28Å; T469-L479 HydrophobicContact CG2-CD2 4.17Å; T469-L479 HydrophobicContact CG2-CG 4.08Å |
| 470 | R | 92.3 | Very high | 93.6 | Very high | 157 Ų | 157 | 58.6 Ų | 58.6 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 137.5 | 180 | -170.9 | -177.9 | 74.9 | -173.6 | -2.3 | 111.8 | N478 | R470-N478 PolarHBondContact N-OD1 2.82Š|
| 471 | E | 86.2 | Confident | 93.4 | Very high | 185 Ų | 185 | 58.7 Ų | 58.7 | 86% | 0.864 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 142.3 | 171.4 | -64.4 | -177.8 | 179.2 | 0 | 0 | 111.9 | ||
| 472 | G | 82.1 | Confident | 93.2 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 84% | 0.835 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | -4.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 473 | A | 84.4 | Confident | 93.3 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -124.7 | 157.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 474 | S | 91 | Very high | 93.3 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | trans | -67.8 | 149.7 | 172.2 | 67.7 | 0 | 0 | 0 | 0 | 110.5 | V476 E477 N478 | S474-V476 PolarHBondContact O-N 3.34Å; S474-E477 PolarHBondContact N-OE2 3.46Å; S474-E477 PolarHBondContact O-N 2.91Å; S474-E477 WeakPolarHBondContact OG-CB 3.3Å; S474-E477 WeakPolarHBondContact OG-CG 3.33Å; S474-E477 PolarHBondContact OG-N 2.69Å; S474-E477 PolarHBondContact OG-OE2 3Å; S474-N478 PolarHBondContact O-N 2.91Å | ||
| 475 | A | 92.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.8 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T469 E477 N478 L479 | T469-A475 HydrophobicContact CG2-CB 4.01Å; A475-E477 PolarHBondContact O-N 2.88Å; A475-N478 PolarHBondContact O-N 2.86Å; A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CG 3.37Å; A475-L479 PolarHBondContact O-N 3.45Å |
| 476 | V | 92 | Very high | 93.4 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | E462 S474 N480 | E462-V476 HydrophobicContact CG-CG2 3.62Å; E462-V476 WeakPolarHBondContact OE1-CG2 3.47Å; S474-V476 PolarHBondContact O-N 3.34Å; V476-N480 WeakPolarHBondContact O-CB 3.44Å; V476-N480 PolarHBondContact O-N 2.69Å; V476-N480 VanDerWaalsContact O-N 3.1Å |
| 477 | E | 91.6 | Very high | 93.5 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 176.6 | -73.5 | 164.8 | 156.1 | 0 | 0 | 111 | S474 A475 L479 N480 E481 | S474-E477 PolarHBondContact N-OE2 3.46Å; S474-E477 PolarHBondContact O-N 2.91Å; S474-E477 WeakPolarHBondContact OG-CB 3.3Å; S474-E477 WeakPolarHBondContact OG-CG 3.33Å; S474-E477 PolarHBondContact OG-N 2.69Å; S474-E477 PolarHBondContact OG-OE2 3Å; A475-E477 PolarHBondContact O-N 2.88Å; E477-L479 PolarHBondContact O-N 3.18Å; E477-N480 WeakPolarHBondContact O-CB 3.32Å; E477-N480 PolarHBondContact O-N 2.93Å; E477-N480 VanDerWaalsContact O-N 3.12Å; E477-E481 WeakPolarHBondContact O-CG 3.34Å; E477-E481 PolarHBondContact O-N 3.23Å |
| 478 | N | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 179.6 | -173.9 | -110.2 | 0 | 0 | 0 | 111.7 | T469 R470 S474 A475 N480 E481 M482 | T469-N478 WeakPolarHBondContact CB-OD1 3.18Å; T469-N478 HydrophobicContact CG2-CB 4.19Å; T469-N478 WeakPolarHBondContact CG2-OD1 3.28Å; R470-N478 PolarHBondContact N-OD1 2.82Å; S474-N478 PolarHBondContact O-N 2.91Å; A475-N478 PolarHBondContact O-N 2.86Å; N478-N480 VanDerWaalsContact C-N 3.27Å; N478-N480 PolarHBondContact O-N 3.5Å; N478-E481 PolarHBondContact O-N 3.09Å; N478-M482 WeakPolarHBondContact O-CB 3.38Å; N478-M482 VanDerWaalsContact O-CG 3.25Å; N478-M482 WeakPolarHBondContact O-CG 3.23Å; N478-M482 PolarHBondContact O-N 3.33Å |
| 479 | L | 95.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 176.1 | -70.1 | 174.9 | 0 | 0 | 0 | 112.4 | C465 T469 A475 E477 Q483 C484 F487 | C465-L479 HydrophobicContact CB-CD1 3.95Å; T469-L479 HydrophobicContact CG2-CD2 4.17Å; T469-L479 HydrophobicContact CG2-CG 4.08Å; A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CG 3.37Å; A475-L479 PolarHBondContact O-N 3.45Å; E477-L479 PolarHBondContact O-N 3.18Å; L479-Q483 PolarHBondContact O-N 3.2Å; L479-C484 HydrophobicContact CB-CB 3.99Å; L479-C484 HydrophobicContact CD2-CB 3.97Å; L479-C484 WeakPolarHBondContact O-CB 3.42Å; L479-C484 PolarHBondContact O-N 3.23Å; L479-F487 HydrophobicContact CB-CD1 4.39Å; L479-F487 HydrophobicContact CD1-CB 4.38Å; L479-F487 HydrophobicContact CD1-CD1 3.63Å; L479-F487 HydrophobicContact CD1-CD2 3.92Å; L479-F487 HydrophobicContact CD1-CE1 3.78Å; L479-F487 HydrophobicContact CD1-CE2 4.05Å; L479-F487 HydrophobicContact CD1-CG 3.72Å; L479-F487 HydrophobicContact CD1-CZ 3.99Å |
| 480 | N | 94.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.2 | -44.4 | 171.4 | 178.3 | 74 | 0 | 0 | 0 | 111.7 | V476 E477 N478 M482 Q483 Q488 H514 | V476-N480 WeakPolarHBondContact O-CB 3.44Å; V476-N480 PolarHBondContact O-N 2.69Å; V476-N480 VanDerWaalsContact O-N 3.1Å; E477-N480 WeakPolarHBondContact O-CB 3.32Å; E477-N480 PolarHBondContact O-N 2.93Å; E477-N480 VanDerWaalsContact O-N 3.12Å; N478-N480 VanDerWaalsContact C-N 3.27Å; N478-N480 PolarHBondContact O-N 3.5Å; N480-M482 VanDerWaalsContact C-N 3.27Å; N480-M482 PolarHBondContact O-N 2.96Å; N480-Q483 PolarHBondContact O-N 3.1Å; N480-Q483 VanDerWaalsContact O-N 3.11Å; N480-Q488 PolarHBondContact OD1-NE2 2.84Å; N480-H514 PolarHBondContact O-CE1 3.5Å; N480-H514 PolarHBondContact OD1-CE1 3.33Å |
| 481 | E | 92.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59 | -38.9 | 175 | -71.3 | 173.4 | 169 | 0 | 0 | 111.6 | E477 N478 Q483 K628 | E477-E481 WeakPolarHBondContact O-CG 3.34Å; E477-E481 PolarHBondContact O-N 3.23Å; N478-E481 PolarHBondContact O-N 3.09Å; E481-Q483 PolarHBondContact O-N 2.94Å; E481-K628 IonicContact OE1-NZ 3.99Å; E481-K628 PolarHBondContact OE1-NZ 3.26Å |
| 482 | M | 95.2 | Very high | 94.6 | Very high | 129 Ų | 129 | 36 Ų | 36 | 64% | 0.635 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 11.5 | 177.9 | -61.3 | -56.7 | -58.3 | 0 | 0 | 114 | N478 N480 C484 | N478-M482 WeakPolarHBondContact O-CB 3.38Å; N478-M482 VanDerWaalsContact O-CG 3.25Å; N478-M482 WeakPolarHBondContact O-CG 3.23Å; N478-M482 PolarHBondContact O-N 3.33Å; N480-M482 VanDerWaalsContact C-N 3.27Å; N480-M482 PolarHBondContact O-N 2.96Å; M482-C484 VanDerWaalsContact C-N 3.28Å; M482-C484 PolarHBondContact O-N 3.35Å |
| 483 | Q | 97.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 35 Ų | 35 | 29% | 0.285 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 38.3 | 178.6 | -56.6 | 176 | -17.5 | 0 | 0 | 113.6 | L479 N480 E481 M485 E517 | L479-Q483 PolarHBondContact O-N 3.2Å; N480-Q483 PolarHBondContact O-N 3.1Å; N480-Q483 VanDerWaalsContact O-N 3.11Å; E481-Q483 PolarHBondContact O-N 2.94Å; Q483-M485 VanDerWaalsContact C-N 3.32Å; Q483-M485 PolarHBondContact O-N 2.85Å; Q483-E517 PolarHBondContact NE2-OE1 3.35Å |
| 484 | C | 98.2 | Very high | 96 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | trans | -77.5 | 73.7 | -175 | -168 | 0 | 0 | 0 | 0 | 113 | L479 M482 W486 F487 Q488 | L479-C484 HydrophobicContact CB-CB 3.99Å; L479-C484 HydrophobicContact CD2-CB 3.97Å; L479-C484 WeakPolarHBondContact O-CB 3.42Å; L479-C484 PolarHBondContact O-N 3.23Å; M482-C484 VanDerWaalsContact C-N 3.28Å; M482-C484 PolarHBondContact O-N 3.35Å; C484-W486 VanDerWaalsContact C-N 3.32Å; C484-W486 PolarHBondContact O-N 2.96Å; C484-W486 VanDerWaalsContact SG-CD1 3.51Å; C484-W486 PolarHBondContact SG-NE1 3.36Å; C484-F487 PolarHBondContact O-N 2.9Å; C484-Q488 PolarHBondContact O-N 3.31Å | ||
| 485 | M | 98.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -29.3 | -173.8 | -58.2 | -177.2 | -160.5 | 0 | 0 | 114 | Q483 F487 Q488 T489 I511 H514 F515 I518 F553 | Q483-M485 VanDerWaalsContact C-N 3.32Å; Q483-M485 PolarHBondContact O-N 2.85Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.08Å; M485-Q488 PolarHBondContact O-N 3.35Å; M485-T489 WeakPolarHBondContact O-CB 3.34Å; M485-T489 VanDerWaalsContact O-CG2 3.26Å; M485-T489 WeakPolarHBondContact O-CG2 3.48Å; M485-T489 PolarHBondContact O-N 2.74Å; M485-T489 PolarHBondContact O-OG1 3.26Å; M485-I511 HydrophobicContact SD-CG2 4.43Å; M485-H514 HydrophobicContact CE-CB 3.65Å; M485-F515 HydrophobicContact CE-CE2 4.23Å; M485-F515 HydrophobicContact SD-CE2 3.73Å; M485-F515 HydrophobicContact SD-CZ 4.13Å; M485-I518 HydrophobicContact CE-CD1 3.77Å; M485-F553 HydrophobicContact CB-CB 4.07Å; M485-F553 HydrophobicContact CB-CD1 4.08Å; M485-F553 HydrophobicContact CB-CD2 3.6Å; M485-F553 HydrophobicContact CB-CE1 4.45Å; M485-F553 HydrophobicContact CB-CE2 4.04Å; M485-F553 HydrophobicContact CB-CG 3.67Å; M485-F553 HydrophobicContact CB-CZ 4.45Å; M485-F553 HydrophobicContact CG-CD2 4.22Å; M485-F553 HydrophobicContact CG-CG 4.49Å; M485-F553 HydrophobicContact SD-CB 3.78Å; M485-F553 HydrophobicContact SD-CD2 3.68Å; M485-F553 HydrophobicContact SD-CG 4.05Å |
| 486 | W | 98.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 34.9 Ų | 34.9 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.5 | 78.8 | -101.8 | 0 | 0 | 0 | 111 | S446 A449 K450 C484 T489 E490 F553 | S446-W486 WeakPolarHBondContact O-CH2 3.48Å; A449-W486 HydrophobicContact CB-CH2 4.32Å; K450-W486 HydrophobicContact CB-CZ3 3.9Å; C484-W486 VanDerWaalsContact C-N 3.32Å; C484-W486 PolarHBondContact O-N 2.96Å; C484-W486 VanDerWaalsContact SG-CD1 3.51Å; C484-W486 PolarHBondContact SG-NE1 3.36Å; W486-T489 PolarHBondContact O-OG1 3.31Å; W486-T489 VanDerWaalsContact O-OG1 3.06Å; W486-E490 VanDerWaalsContact O-CG 3.31Å; W486-E490 WeakPolarHBondContact O-CG 3.27Å; W486-E490 PolarHBondContact O-N 2.82Å; W486-F553 HydrophobicContact CB-CE1 3.99Å; W486-F553 HydrophobicContact CB-CZ 4Å |
| 487 | F | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69 | -51 | 178.2 | 177.5 | -96.4 | 0 | 0 | 0 | 109.7 | L453 E462 L479 C484 M485 T489 E490 C491 | L453-F487 HydrophobicContact CD1-CD2 3.81Å; L453-F487 HydrophobicContact CD1-CE2 3.91Å; E462-F487 HydrophobicContact CG-CZ 3.99Å; L479-F487 HydrophobicContact CB-CD1 4.39Å; L479-F487 HydrophobicContact CD1-CB 4.38Å; L479-F487 HydrophobicContact CD1-CD1 3.63Å; L479-F487 HydrophobicContact CD1-CD2 3.92Å; L479-F487 HydrophobicContact CD1-CE1 3.78Å; L479-F487 HydrophobicContact CD1-CE2 4.05Å; L479-F487 HydrophobicContact CD1-CG 3.72Å; L479-F487 HydrophobicContact CD1-CZ 3.99Å; C484-F487 PolarHBondContact O-N 2.9Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.08Å; F487-T489 VanDerWaalsContact C-N 3.33Å; F487-T489 PolarHBondContact O-N 3.05Å; F487-E490 PolarHBondContact O-N 3.33Å; F487-E490 VanDerWaalsContact O-N 3.14Å; F487-C491 WeakPolarHBondContact CE1-SG 3.35Å; F487-C491 VanDerWaalsContact CZ-SG 3.57Å; F487-C491 PolarHBondContact O-N 3.34Å; F487-C491 PolarHBondContact O-SG 3.46Å; F487-C491 VanDerWaalsContact O-SG 3.33Å |
| 488 | Q | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | -179.6 | -66.9 | 172.9 | -52.2 | 0 | 0 | 112.8 | N480 C484 M485 C491 A492 K507 E510 I511 H514 | N480-Q488 PolarHBondContact OD1-NE2 2.84Å; C484-Q488 PolarHBondContact O-N 3.31Å; M485-Q488 PolarHBondContact O-N 3.35Å; Q488-C491 PolarHBondContact O-N 3.36Å; Q488-A492 WeakPolarHBondContact O-CB 3.42Å; Q488-A492 PolarHBondContact O-N 3.18Å; Q488-K507 HydrophobicContact CB-CD 4.39Å; Q488-K507 HydrophobicContact CG-CD 4.32Å; Q488-E510 PolarHBondContact NE2-OE2 3.45Å; Q488-I511 HydrophobicContact CB-CD1 3.97Å; Q488-I511 HydrophobicContact CB-CG1 3.93Å; Q488-H514 PolarHBondContact NE2-NE2 3.38Å; Q488-H514 PolarHBondContact OE1-CD2 3.18Å; Q488-H514 PolarHBondContact OE1-NE2 2.87Å |
| 489 | T | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -36.7 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | M485 W486 F487 L493 I511 F553 K556 | M485-T489 WeakPolarHBondContact O-CB 3.34Å; M485-T489 VanDerWaalsContact O-CG2 3.26Å; M485-T489 WeakPolarHBondContact O-CG2 3.48Å; M485-T489 PolarHBondContact O-N 2.74Å; M485-T489 PolarHBondContact O-OG1 3.26Å; W486-T489 PolarHBondContact O-OG1 3.31Å; W486-T489 VanDerWaalsContact O-OG1 3.06Å; F487-T489 VanDerWaalsContact C-N 3.33Å; F487-T489 PolarHBondContact O-N 3.05Å; T489-L493 WeakPolarHBondContact O-CG 3.48Å; T489-L493 PolarHBondContact O-N 3.18Å; T489-I511 HydrophobicContact CG2-CD1 3.43Å; T489-I511 VanDerWaalsContact CG2-CD1 3.43Å; T489-F553 HydrophobicContact CG2-CD1 4.13Å; T489-K556 HydrophobicContact CG2-CB 4.41Å; T489-K556 HydrophobicContact CG2-CD 4.22Å; T489-K556 HydrophobicContact CG2-CG 4.44Å |
| 490 | E | 98.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.5 | -37.1 | 175.2 | -65.4 | -69 | 165.5 | 0 | 0 | 111 | K450 L453 K454 W486 F487 L493 A494 K556 | K450-E490 VanDerWaalsContact CE-OE1 3.27Å; K450-E490 WeakPolarHBondContact CE-OE1 3.3Å; K450-E490 HydrophobicContact CG-CG 4.23Å; K450-E490 IonicContact NZ-OE1 2.59Å; L453-E490 HydrophobicContact CB-CB 4.22Å; L453-E490 HydrophobicContact CD1-CB 3.69Å; K454-E490 VanDerWaalsContact NZ-CD 3.31Å; K454-E490 IonicContact NZ-OE1 3.49Å; K454-E490 PolarHBondContact NZ-OE1 2.76Å; K454-E490 IonicContact NZ-OE2 3.03Å; K454-E490 PolarHBondContact NZ-OE2 3.43Å; W486-E490 VanDerWaalsContact O-CG 3.31Å; W486-E490 WeakPolarHBondContact O-CG 3.27Å; W486-E490 PolarHBondContact O-N 2.82Å; F487-E490 PolarHBondContact O-N 3.33Å; F487-E490 VanDerWaalsContact O-N 3.14Å; E490-L493 PolarHBondContact O-N 3.1Å; E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.04Å; E490-K556 VanDerWaalsContact CD-NZ 3.3Å; E490-K556 IonicContact OE1-NZ 3.49Å; E490-K556 PolarHBondContact OE1-NZ 2.89Å; E490-K556 IonicContact OE2-NZ 3.07Å |
| 491 | C | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 170 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | L453 F487 Q488 L493 A494 Y495 K507 | L453-C491 VanDerWaalsContact CD2-SG 3.56Å; F487-C491 WeakPolarHBondContact CE1-SG 3.35Å; F487-C491 VanDerWaalsContact CZ-SG 3.57Å; F487-C491 PolarHBondContact O-N 3.34Å; F487-C491 PolarHBondContact O-SG 3.46Å; F487-C491 VanDerWaalsContact O-SG 3.33Å; Q488-C491 PolarHBondContact O-N 3.36Å; C491-L493 VanDerWaalsContact C-N 3.3Å; C491-L493 PolarHBondContact O-N 3.17Å; C491-A494 PolarHBondContact O-N 3.39Å; C491-Y495 HydrophobicContact CB-CD2 4.27Å; C491-Y495 HydrophobicContact CB-CE2 4.16Å; C491-Y495 WeakPolarHBondContact O-CB 3.07Å; C491-Y495 WeakPolarHBondContact O-CD2 3.26Å; C491-Y495 PolarHBondContact O-N 3.27Å; C491-K507 HydrophobicContact CB-CD 4.25Å; C491-K507 HydrophobicContact CB-CG 4.11Å |
| 492 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q488 K496 A504 K507 T560 | Q488-A492 WeakPolarHBondContact O-CB 3.42Å; Q488-A492 PolarHBondContact O-N 3.18Å; A492-K496 VanDerWaalsContact O-CB 3.28Å; A492-K496 WeakPolarHBondContact O-CB 3.31Å; A492-K496 PolarHBondContact O-N 2.88Å; A492-A504 WeakPolarHBondContact O-CB 3.4Å; A492-K507 HydrophobicContact CB-CB 3.84Å; A492-T560 HydrophobicContact CB-CG2 4.37Å |
| 493 | L | 97.8 | Very high | 97 | Very high | 59 Ų | 59 | 40 Ų | 40 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 175 | -70.6 | -176.6 | 0 | 0 | 0 | 112.6 | T489 E490 C491 K496 A497 T560 | T489-L493 WeakPolarHBondContact O-CG 3.48Å; T489-L493 PolarHBondContact O-N 3.18Å; E490-L493 PolarHBondContact O-N 3.1Å; C491-L493 VanDerWaalsContact C-N 3.3Å; C491-L493 PolarHBondContact O-N 3.17Å; L493-K496 PolarHBondContact O-N 3.42Å; L493-A497 WeakPolarHBondContact O-CB 3.48Å; L493-A497 PolarHBondContact O-N 3.09Å; L493-T560 HydrophobicContact CD2-CG2 4.23Å; L493-T560 WeakPolarHBondContact CD2-OG1 3.32Å |
| 494 | A | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 37 Ų | 37 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L453 I458 E490 C491 K496 A497 M498 | L453-A494 VanDerWaalsContact O-CB 3.27Å; L453-A494 WeakPolarHBondContact O-CB 3.45Å; I458-A494 HydrophobicContact CD1-CB 4.01Å; I458-A494 HydrophobicContact CG1-CB 4.18Å; E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.04Å; C491-A494 PolarHBondContact O-N 3.39Å; A494-K496 VanDerWaalsContact C-N 3.35Å; A494-K496 PolarHBondContact O-N 3.07Å; A494-A497 PolarHBondContact O-N 2.81Å; A494-M498 WeakPolarHBondContact O-CG 3.49Å; A494-M498 PolarHBondContact O-N 2.66Å; A494-M498 VanDerWaalsContact O-N 3.11Å |
| 495 | Y | 97.8 | Very high | 97 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.5 | -74.6 | -53.8 | 0 | 0 | 0 | 112.3 | I458 C491 M498 N499 K500 E503 K507 | I458-Y495 HydrophobicContact CD1-CD1 3.44Å; I458-Y495 VanDerWaalsContact CD1-CD1 3.44Å; I458-Y495 HydrophobicContact CD1-CD2 4.44Å; I458-Y495 HydrophobicContact CD1-CE1 3.31Å; I458-Y495 HydrophobicContact CD1-CE2 4.34Å; I458-Y495 HydrophobicContact CD1-CG 4.02Å; I458-Y495 HydrophobicContact CG2-CE1 4.37Å; C491-Y495 HydrophobicContact CB-CD2 4.27Å; C491-Y495 HydrophobicContact CB-CE2 4.16Å; C491-Y495 WeakPolarHBondContact O-CB 3.07Å; C491-Y495 WeakPolarHBondContact O-CD2 3.26Å; C491-Y495 PolarHBondContact O-N 3.27Å; Y495-M498 CarbonylContact O-C 3.43Å; Y495-M498 PolarHBondContact O-N 3.34Å; Y495-N499 PolarHBondContact O-N 3.08Å; Y495-K500 HydrophobicContact CD1-CB 4.08Å; Y495-K500 HydrophobicContact CD1-CD 4Å; Y495-K500 HydrophobicContact CE1-CD 4.42Å; Y495-K500 PolarHBondContact O-N 3.42Å; Y495-E503 HydrophobicContact CD1-CB 3.79Å; Y495-E503 HydrophobicContact CD1-CG 4.44Å; Y495-E503 HydrophobicContact CD2-CB 3.72Å; Y495-E503 HydrophobicContact CE1-CB 3.97Å; Y495-E503 HydrophobicContact CE1-CG 4.29Å; Y495-E503 HydrophobicContact CE2-CB 3.91Å; Y495-E503 HydrophobicContact CG-CB 3.67Å; Y495-K507 HydrophobicContact CD2-CG 4.34Å; Y495-K507 HydrophobicContact CE2-CG 4.34Å |
| 496 | K | 96.6 | Very high | 97 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.6 | -177.5 | -172.8 | 169.4 | -153.5 | 0 | 111.3 | A492 L493 A494 M498 N499 F501 A504 T560 I564 | A492-K496 VanDerWaalsContact O-CB 3.28Å; A492-K496 WeakPolarHBondContact O-CB 3.31Å; A492-K496 PolarHBondContact O-N 2.88Å; L493-K496 PolarHBondContact O-N 3.42Å; A494-K496 VanDerWaalsContact C-N 3.35Å; A494-K496 PolarHBondContact O-N 3.07Å; K496-M498 PolarHBondContact O-N 3.27Å; K496-N499 PolarHBondContact O-N 3.23Å; K496-F501 HydrophobicContact CG-CE1 4.31Å; K496-A504 HydrophobicContact CB-CB 4.24Å; K496-T560 HydrophobicContact CD-CG2 3.95Å; K496-I564 HydrophobicContact CB-CD1 4.28Å; K496-I564 HydrophobicContact CD-CD1 4.36Å; K496-I564 HydrophobicContact CD-CG1 4.07Å; K496-I564 HydrophobicContact CG-CD1 4.2Å; K496-I564 HydrophobicContact CG-CG1 4.01Å |
| 497 | A | 93.7 | Very high | 97 | Very high | 86 Ų | 86 | 34.9 Ų | 34.9 | 71% | 0.711 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63 | -27.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L493 A494 N499 | L493-A497 WeakPolarHBondContact O-CB 3.48Å; L493-A497 PolarHBondContact O-N 3.09Å; A494-A497 PolarHBondContact O-N 2.81Å; A497-N499 VanDerWaalsContact C-N 3.31Å |
| 498 | M | 93.6 | Very high | 97 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 7.3 | 172.9 | -62.2 | 175.7 | -170.1 | 0 | 0 | 114.1 | G456 I458 A494 Y495 K496 K500 | G456-M498 VanDerWaalsContact C-CE 3.45Å; G456-M498 WeakPolarHBondContact O-CE 3.37Å; I458-M498 HydrophobicContact CD1-CE 3.65Å; I458-M498 HydrophobicContact CD1-SD 3.87Å; I458-M498 HydrophobicContact CG1-CE 3.91Å; A494-M498 WeakPolarHBondContact O-CG 3.49Å; A494-M498 PolarHBondContact O-N 2.66Å; A494-M498 VanDerWaalsContact O-N 3.11Å; Y495-M498 CarbonylContact O-C 3.43Å; Y495-M498 PolarHBondContact O-N 3.34Å; K496-M498 PolarHBondContact O-N 3.27Å; M498-K500 HydrophobicContact CB-CD 4.35Å; M498-K500 HydrophobicContact CB-CG 4.15Å; M498-K500 PolarHBondContact O-N 3.36Å; M498-K500 VanDerWaalsContact O-N 3.13Å; M498-K500 HydrophobicContact SD-CD 4.36Å |
| 499 | N | 93.8 | Very high | 97 | Very high | 119 Ų | 119 | 36.1 Ų | 36.1 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 20.5 | -171.5 | -57.8 | -51.4 | 0 | 0 | 0 | 114.6 | Y495 K496 A497 F501 | Y495-N499 PolarHBondContact O-N 3.08Å; K496-N499 PolarHBondContact O-N 3.23Å; A497-N499 VanDerWaalsContact C-N 3.31Å; N499-F501 VanDerWaalsContact C-N 3.26Å; N499-F501 HydrophobicContact CB-CZ 4.45Å; N499-F501 PolarHBondContact O-N 2.93Å |
| 500 | K | 95.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 36.7 Ų | 36.7 | 49% | 0.491 | 19% | 0.192 | S | C | . | . | trans | -85.4 | 65.3 | 173.9 | -68.1 | -178.2 | 177.1 | 175.7 | 0 | 110.5 | Y495 M498 G502 E503 A504 | Y495-K500 HydrophobicContact CD1-CB 4.08Å; Y495-K500 HydrophobicContact CD1-CD 4Å; Y495-K500 HydrophobicContact CE1-CD 4.42Å; Y495-K500 PolarHBondContact O-N 3.42Å; M498-K500 HydrophobicContact CB-CD 4.35Å; M498-K500 HydrophobicContact CB-CG 4.15Å; M498-K500 PolarHBondContact O-N 3.36Å; M498-K500 VanDerWaalsContact O-N 3.13Å; M498-K500 HydrophobicContact SD-CD 4.36Å; K500-G502 VanDerWaalsContact C-N 3.3Å; K500-G502 PolarHBondContact O-N 3.05Å; K500-E503 PolarHBondContact O-N 3.38Å; K500-A504 PolarHBondContact O-N 3.06Å; K500-A504 VanDerWaalsContact O-N 3.14Å | ||
| 501 | F | 96.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -34.1 | -171.3 | -64.8 | -34.3 | 0 | 0 | 0 | 114.5 | K496 N499 A504 L505 I564 L568 V648 | K496-F501 HydrophobicContact CG-CE1 4.31Å; N499-F501 VanDerWaalsContact C-N 3.26Å; N499-F501 HydrophobicContact CB-CZ 4.45Å; N499-F501 PolarHBondContact O-N 2.93Å; F501-A504 PolarHBondContact O-N 3.11Å; F501-L505 WeakPolarHBondContact O-CB 3.48Å; F501-L505 VanDerWaalsContact O-CG 3.31Å; F501-L505 WeakPolarHBondContact O-CG 3.42Å; F501-L505 PolarHBondContact O-N 2.78Å; F501-I564 HydrophobicContact CB-CG2 3.7Å; F501-I564 HydrophobicContact CD1-CD1 4.45Å; F501-I564 HydrophobicContact CD1-CG1 3.95Å; F501-I564 HydrophobicContact CD1-CG2 3.91Å; F501-I564 HydrophobicContact CE1-CG1 4.43Å; F501-I564 HydrophobicContact CG-CG2 3.81Å; F501-L568 HydrophobicContact CD2-CD2 4Å; F501-V648 HydrophobicContact CB-CG1 3.85Å |
| 502 | G | 96.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K500 K506 P644 V648 | K500-G502 VanDerWaalsContact C-N 3.3Å; K500-G502 PolarHBondContact O-N 3.05Å; G502-K506 WeakPolarHBondContact O-CB 3.35Å; G502-K506 PolarHBondContact O-N 3Å; G502-P644 WeakPolarHBondContact CA-O 3.28Å; G502-V648 VanDerWaalsContact CA-CG1 3.42Å |
| 503 | E | 96.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.1 | -38 | 177.4 | -65.4 | -66.3 | 176.9 | 0 | 0 | 111.2 | Y495 K500 K506 K507 P644 | Y495-E503 HydrophobicContact CD1-CB 3.79Å; Y495-E503 HydrophobicContact CD1-CG 4.44Å; Y495-E503 HydrophobicContact CD2-CB 3.72Å; Y495-E503 HydrophobicContact CE1-CB 3.97Å; Y495-E503 HydrophobicContact CE1-CG 4.29Å; Y495-E503 HydrophobicContact CE2-CB 3.91Å; Y495-E503 HydrophobicContact CG-CB 3.67Å; K500-E503 PolarHBondContact O-N 3.38Å; E503-K506 WeakPolarHBondContact O-CB 3.5Å; E503-K506 PolarHBondContact O-N 2.77Å; E503-K507 WeakPolarHBondContact O-CG 3.37Å; E503-K507 PolarHBondContact O-N 2.97Å; E503-K507 VanDerWaalsContact O-N 3.08Å; E503-P644 HydrophobicContact CG-CG 4.46Å |
| 504 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A492 K496 K500 F501 K506 K507 C508 I564 | A492-A504 WeakPolarHBondContact O-CB 3.4Å; K496-A504 HydrophobicContact CB-CB 4.24Å; K500-A504 PolarHBondContact O-N 3.06Å; K500-A504 VanDerWaalsContact O-N 3.14Å; F501-A504 PolarHBondContact O-N 3.11Å; A504-K506 VanDerWaalsContact C-N 3.35Å; A504-K506 PolarHBondContact O-N 2.78Å; A504-K507 PolarHBondContact O-N 3.41Å; A504-C508 PolarHBondContact O-N 3.1Å; A504-C508 PolarHBondContact O-SG 3.45Å; A504-I564 HydrophobicContact CB-CD1 3.52Å |
| 505 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 176.6 | -74.7 | 174.6 | 0 | 0 | 0 | 111.7 | F501 K507 C508 H509 A561 I564 Y565 L568 L647 V648 | F501-L505 WeakPolarHBondContact O-CB 3.48Å; F501-L505 VanDerWaalsContact O-CG 3.31Å; F501-L505 WeakPolarHBondContact O-CG 3.42Å; F501-L505 PolarHBondContact O-N 2.78Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 2.99Å; L505-C508 PolarHBondContact O-N 3.32Å; L505-C508 VanDerWaalsContact O-N 3.1Å; L505-H509 PolarHBondContact O-CD2 2.88Å; L505-H509 PolarHBondContact O-N 3.13Å; L505-A561 HydrophobicContact CD2-CB 4.15Å; L505-I564 HydrophobicContact CD1-CG2 3.89Å; L505-I564 HydrophobicContact CD2-CB 4.12Å; L505-I564 HydrophobicContact CD2-CD1 4.31Å; L505-I564 HydrophobicContact CD2-CG2 3.95Å; L505-I564 HydrophobicContact CG-CB 4.44Å; L505-I564 HydrophobicContact CG-CD1 4.37Å; L505-I564 HydrophobicContact CG-CG2 3.8Å; L505-Y565 HydrophobicContact CD1-CD1 4.31Å; L505-Y565 HydrophobicContact CD1-CE1 3.69Å; L505-Y565 HydrophobicContact CD2-CD1 4.47Å; L505-Y565 HydrophobicContact CD2-CD2 4.14Å; L505-Y565 HydrophobicContact CD2-CE1 4.03Å; L505-Y565 HydrophobicContact CD2-CE2 3.65Å; L505-L568 HydrophobicContact CD1-CD1 4.01Å; L505-L647 HydrophobicContact CB-CB 4.17Å; L505-L647 HydrophobicContact CB-CD1 4.24Å; L505-L647 HydrophobicContact CD1-CB 4.23Å; L505-V648 HydrophobicContact CD1-CG1 4.19Å |
| 506 | K | 97.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.5 | -47.6 | 174.5 | 174.8 | 178.4 | 175 | -176.6 | 0 | 111.1 | G502 E503 A504 C508 H509 E510 L642 P644 L647 | G502-K506 WeakPolarHBondContact O-CB 3.35Å; G502-K506 PolarHBondContact O-N 3Å; E503-K506 WeakPolarHBondContact O-CB 3.5Å; E503-K506 PolarHBondContact O-N 2.77Å; A504-K506 VanDerWaalsContact C-N 3.35Å; A504-K506 PolarHBondContact O-N 2.78Å; K506-C508 PolarHBondContact O-N 2.97Å; K506-H509 PolarHBondContact O-N 2.98Å; K506-E510 VanDerWaalsContact CE-OE1 3.27Å; K506-E510 WeakPolarHBondContact CE-OE1 3.34Å; K506-E510 WeakPolarHBondContact O-CG 3.39Å; K506-E510 PolarHBondContact O-N 2.89Å; K506-L642 HydrophobicContact CG-CB 4.01Å; K506-L642 HydrophobicContact CG-CD1 4.48Å; K506-P644 HydrophobicContact CB-CG 4.44Å; K506-P644 HydrophobicContact CD-CG 3.92Å; K506-L647 HydrophobicContact CB-CD1 4.04Å |
| 507 | K | 98.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 177 | -64.9 | -67.2 | 159.1 | -141.7 | 0 | 112.9 | Q488 C491 A492 Y495 E503 A504 L505 E510 I511 | Q488-K507 HydrophobicContact CB-CD 4.39Å; Q488-K507 HydrophobicContact CG-CD 4.32Å; C491-K507 HydrophobicContact CB-CD 4.25Å; C491-K507 HydrophobicContact CB-CG 4.11Å; A492-K507 HydrophobicContact CB-CB 3.84Å; Y495-K507 HydrophobicContact CD2-CG 4.34Å; Y495-K507 HydrophobicContact CE2-CG 4.34Å; E503-K507 WeakPolarHBondContact O-CG 3.37Å; E503-K507 PolarHBondContact O-N 2.97Å; E503-K507 VanDerWaalsContact O-N 3.08Å; A504-K507 PolarHBondContact O-N 3.41Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 2.99Å; K507-E510 VanDerWaalsContact CD-OE2 3.32Å; K507-E510 WeakPolarHBondContact CD-OE2 3.45Å; K507-E510 IonicContact NZ-OE1 3.6Å; K507-E510 PolarHBondContact NZ-OE1 3.06Å; K507-E510 IonicContact NZ-OE2 3.1Å; K507-E510 PolarHBondContact NZ-OE2 3.3Å; K507-E510 PolarHBondContact O-N 3.24Å; K507-I511 WeakPolarHBondContact O-CD1 3.47Å; K507-I511 WeakPolarHBondContact O-CG1 3.25Å; K507-I511 PolarHBondContact O-N 2.91Å |
| 508 | C | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.4 | -61 | 0 | 0 | 0 | 0 | 112.7 | A504 L505 K506 I511 E512 A557 A561 F660 | A504-C508 PolarHBondContact O-N 3.1Å; A504-C508 PolarHBondContact O-SG 3.45Å; L505-C508 PolarHBondContact O-N 3.32Å; L505-C508 VanDerWaalsContact O-N 3.1Å; K506-C508 PolarHBondContact O-N 2.97Å; C508-I511 PolarHBondContact O-N 3.05Å; C508-E512 PolarHBondContact O-N 2.76Å; C508-E512 VanDerWaalsContact O-N 3.14Å; C508-A557 PolarHBondContact SG-O 3.01Å; C508-A561 HydrophobicContact CB-CB 3.88Å; C508-F660 HydrophobicContact CB-CZ 4.42Å |
| 509 | H | 97.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.2 | -35.8 | 176.4 | -81.6 | -80.8 | 0 | 0 | 0 | 112.8 | L505 K506 I511 E512 R513 Y565 L642 F660 | L505-H509 PolarHBondContact O-CD2 2.88Å; L505-H509 PolarHBondContact O-N 3.13Å; K506-H509 PolarHBondContact O-N 2.98Å; H509-I511 VanDerWaalsContact C-N 3.29Å; H509-I511 PolarHBondContact O-N 3.49Å; H509-E512 PolarHBondContact O-N 3.28Å; H509-R513 WeakPolarHBondContact O-CG 3.4Å; H509-R513 PolarHBondContact O-N 3Å; H509-Y565 PolarHBondContact NE2-OH 3.49Å; H509-L642 HydrophobicContact CB-CD1 3.75Å; H509-L642 HydrophobicContact CB-CD2 3.9Å; H509-L642 HydrophobicContact CB-CG 4.48Å; H509-F660 AromaticContact CE1-CE2 3.7Å; H509-F660 AromaticContact CE1-CZ 3.92Å; H509-F660 AromaticContact ND1-CZ 3.99Å; H509-F660 AromaticContact NE2-CE2 3.78Å |
| 510 | E | 97.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 170.7 | -74 | 170.9 | -165.7 | 0 | 0 | 111.3 | Q488 K506 K507 R513 H514 L642 | Q488-E510 PolarHBondContact NE2-OE2 3.45Å; K506-E510 VanDerWaalsContact CE-OE1 3.27Å; K506-E510 WeakPolarHBondContact CE-OE1 3.34Å; K506-E510 WeakPolarHBondContact O-CG 3.39Å; K506-E510 PolarHBondContact O-N 2.89Å; K507-E510 VanDerWaalsContact CD-OE2 3.32Å; K507-E510 WeakPolarHBondContact CD-OE2 3.45Å; K507-E510 IonicContact NZ-OE1 3.6Å; K507-E510 PolarHBondContact NZ-OE1 3.06Å; K507-E510 IonicContact NZ-OE2 3.1Å; K507-E510 PolarHBondContact NZ-OE2 3.3Å; K507-E510 PolarHBondContact O-N 3.24Å; E510-R513 WeakPolarHBondContact O-CB 3.45Å; E510-R513 PolarHBondContact O-N 3.28Å; E510-H514 PolarHBondContact O-CD2 2.86Å; E510-H514 PolarHBondContact O-N 3.43Å; E510-L642 HydrophobicContact CG-CD1 3.87Å |
| 511 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.5 | -65.4 | 159.9 | 0 | 0 | 0 | 111.1 | M485 Q488 T489 K507 C508 H509 R513 H514 F515 A557 | M485-I511 HydrophobicContact SD-CG2 4.43Å; Q488-I511 HydrophobicContact CB-CD1 3.97Å; Q488-I511 HydrophobicContact CB-CG1 3.93Å; T489-I511 HydrophobicContact CG2-CD1 3.43Å; T489-I511 VanDerWaalsContact CG2-CD1 3.43Å; K507-I511 WeakPolarHBondContact O-CD1 3.47Å; K507-I511 WeakPolarHBondContact O-CG1 3.25Å; K507-I511 PolarHBondContact O-N 2.91Å; C508-I511 PolarHBondContact O-N 3.05Å; H509-I511 VanDerWaalsContact C-N 3.29Å; H509-I511 PolarHBondContact O-N 3.49Å; I511-R513 PolarHBondContact O-N 2.51Å; I511-H514 WeakPolarHBondContact O-CB 3.37Å; I511-H514 PolarHBondContact O-N 2.67Å; I511-H514 VanDerWaalsContact O-N 3.09Å; I511-F515 HydrophobicContact CG2-CD2 4Å; I511-F515 HydrophobicContact CG2-CE2 3.81Å; I511-F515 WeakPolarHBondContact O-CD2 3.44Å; I511-F515 PolarHBondContact O-N 3.4Å; I511-A557 HydrophobicContact CB-CB 4.04Å; I511-A557 HydrophobicContact CD1-CB 3.75Å; I511-A557 HydrophobicContact CG2-CB 3.85Å |
| 512 | E | 97.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 29.7 Ų | 29.7 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -36.7 | 175.1 | 170.7 | 55 | -165.6 | 0 | 0 | 111.8 | C508 H509 H514 F515 V516 R549 Y554 F660 | C508-E512 PolarHBondContact O-N 2.76Å; C508-E512 VanDerWaalsContact O-N 3.14Å; H509-E512 PolarHBondContact O-N 3.28Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.23Å; E512-F515 PolarHBondContact O-N 2.88Å; E512-F515 VanDerWaalsContact O-N 3.14Å; E512-V516 HydrophobicContact CG-CG2 4.49Å; E512-V516 WeakPolarHBondContact O-CG2 3.48Å; E512-V516 PolarHBondContact O-N 2.89Å; E512-V516 WeakPolarHBondContact OE1-CG2 3.29Å; E512-R549 IonicContact OE1-CZ 2.73Å; E512-R549 IonicContact OE1-NE 3.22Å; E512-R549 PolarHBondContact OE1-NE 2.95Å; E512-R549 IonicContact OE1-NH2 2.65Å; E512-R549 PolarHBondContact OE1-NH2 2.75Å; E512-R549 IonicContact OE2-CZ 2.92Å; E512-R549 IonicContact OE2-NE 3.43Å; E512-R549 PolarHBondContact OE2-NE 3.13Å; E512-R549 VanDerWaalsContact OE2-NE 3.15Å; E512-R549 IonicContact OE2-NH2 3.26Å; E512-Y554 WeakPolarHBondContact OE2-CE2 3.31Å; E512-F660 HydrophobicContact CB-CE1 4.09Å |
| 513 | R | 96.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 30.2 Ų | 30.2 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 174.4 | -74.4 | 174.8 | 178.4 | -160 | -6.3 | 112.5 | H509 E510 I511 V516 E517 E640 L642 | H509-R513 WeakPolarHBondContact O-CG 3.4Å; H509-R513 PolarHBondContact O-N 3Å; E510-R513 WeakPolarHBondContact O-CB 3.45Å; E510-R513 PolarHBondContact O-N 3.28Å; I511-R513 PolarHBondContact O-N 2.51Å; R513-V516 PolarHBondContact O-N 3.23Å; R513-E517 WeakPolarHBondContact O-CB 3.42Å; R513-E517 PolarHBondContact O-N 2.71Å; R513-E640 VanDerWaalsContact CZ-O 3.26Å; R513-E640 PolarHBondContact NH1-O 2.81Å; R513-E640 PolarHBondContact NH2-O 3.11Å; R513-L642 VanDerWaalsContact CZ-CG 3.4Å; R513-L642 VanDerWaalsContact NH2-CD2 3.29Å |
| 514 | H | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.6 | -57.3 | -34.1 | 0 | 0 | 0 | 111.7 | N480 M485 Q488 E510 I511 E512 V516 E517 I518 | N480-H514 PolarHBondContact O-CE1 3.5Å; N480-H514 PolarHBondContact OD1-CE1 3.33Å; M485-H514 HydrophobicContact CE-CB 3.65Å; Q488-H514 PolarHBondContact NE2-NE2 3.38Å; Q488-H514 PolarHBondContact OE1-CD2 3.18Å; Q488-H514 PolarHBondContact OE1-NE2 2.87Å; E510-H514 PolarHBondContact O-CD2 2.86Å; E510-H514 PolarHBondContact O-N 3.43Å; I511-H514 WeakPolarHBondContact O-CB 3.37Å; I511-H514 PolarHBondContact O-N 2.67Å; I511-H514 VanDerWaalsContact O-N 3.09Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.23Å; H514-V516 VanDerWaalsContact C-N 3.32Å; H514-V516 PolarHBondContact O-N 2.85Å; H514-E517 PolarHBondContact O-N 2.77Å; H514-I518 WeakPolarHBondContact O-CB 3.25Å; H514-I518 WeakPolarHBondContact O-CD1 3.47Å; H514-I518 WeakPolarHBondContact O-CG1 3.26Å; H514-I518 PolarHBondContact O-N 3.48Å |
| 515 | F | 98 | Very high | 97 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 175.3 | -81.7 | -85.2 | 0 | 0 | 0 | 112.3 | M485 I511 E512 T519 L548 R549 H551 F553 Y554 | M485-F515 HydrophobicContact CE-CE2 4.23Å; M485-F515 HydrophobicContact SD-CE2 3.73Å; M485-F515 HydrophobicContact SD-CZ 4.13Å; I511-F515 HydrophobicContact CG2-CD2 4Å; I511-F515 HydrophobicContact CG2-CE2 3.81Å; I511-F515 WeakPolarHBondContact O-CD2 3.44Å; I511-F515 PolarHBondContact O-N 3.4Å; E512-F515 PolarHBondContact O-N 2.88Å; E512-F515 VanDerWaalsContact O-N 3.14Å; F515-T519 WeakPolarHBondContact O-CB 3.48Å; F515-T519 PolarHBondContact O-N 3.5Å; F515-T519 VanDerWaalsContact O-N 3.08Å; F515-T519 PolarHBondContact O-OG1 3.14Å; F515-L548 HydrophobicContact CD1-CD2 3.78Å; F515-L548 HydrophobicContact CD1-CG 3.76Å; F515-L548 HydrophobicContact CE1-CD2 4.49Å; F515-L548 HydrophobicContact CE1-CG 4.04Å; F515-L548 WeakPolarHBondContact CE1-O 3.35Å; F515-R549 HydrophobicContact CB-CG 4.24Å; F515-R549 HydrophobicContact CD1-CG 3.79Å; F515-R549 HydrophobicContact CG-CG 4.15Å; F515-H551 HydrophobicContact CE1-CB 3.93Å; F515-H551 HydrophobicContact CZ-CB 3.93Å; F515-F553 HydrophobicContact CE2-CB 4.39Å; F515-F553 HydrophobicContact CZ-CB 4.41Å; F515-Y554 HydrophobicContact CD2-CD2 4.01Å; F515-Y554 HydrophobicContact CE2-CD2 4.34Å; F515-Y554 HydrophobicContact CG-CD2 4.24Å |
| 516 | V | 96.3 | Very high | 97 | Very high | 61 Ų | 61 | 37 Ų | 37 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -47 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | E512 R513 H514 T519 D520 | E512-V516 HydrophobicContact CG-CG2 4.49Å; E512-V516 WeakPolarHBondContact O-CG2 3.48Å; E512-V516 PolarHBondContact O-N 2.89Å; E512-V516 WeakPolarHBondContact OE1-CG2 3.29Å; R513-V516 PolarHBondContact O-N 3.23Å; H514-V516 VanDerWaalsContact C-N 3.32Å; H514-V516 PolarHBondContact O-N 2.85Å; V516-T519 WeakPolarHBondContact O-CB 3.31Å; V516-T519 PolarHBondContact O-N 3.36Å; V516-D520 PolarHBondContact O-N 3.11Å |
| 517 | E | 95.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -48.3 | -178.9 | -162.9 | 168.7 | 117 | 0 | 0 | 111.8 | Q483 R513 H514 T519 D520 D521 K639 | Q483-E517 PolarHBondContact NE2-OE1 3.35Å; R513-E517 WeakPolarHBondContact O-CB 3.42Å; R513-E517 PolarHBondContact O-N 2.71Å; H514-E517 PolarHBondContact O-N 2.77Å; E517-T519 VanDerWaalsContact C-N 3.29Å; E517-T519 PolarHBondContact O-N 2.99Å; E517-D520 CarbonylContact O-C 3.48Å; E517-D520 WeakPolarHBondContact O-CA 3.47Å; E517-D520 WeakPolarHBondContact O-CB 3.26Å; E517-D520 PolarHBondContact O-N 3.48Å; E517-D521 VanDerWaalsContact O-CG 3.3Å; E517-D521 PolarHBondContact O-N 3.35Å; E517-K639 IonicContact OE2-NZ 3.98Å; E517-K639 PolarHBondContact OE2-NZ 3.46Å |
| 518 | I | 97.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.7 | -64.9 | 162.9 | 0 | 0 | 0 | 110.9 | M485 H514 D520 D521 L548 | M485-I518 HydrophobicContact CE-CD1 3.77Å; H514-I518 WeakPolarHBondContact O-CB 3.25Å; H514-I518 WeakPolarHBondContact O-CD1 3.47Å; H514-I518 WeakPolarHBondContact O-CG1 3.26Å; H514-I518 PolarHBondContact O-N 3.48Å; I518-D520 VanDerWaalsContact C-N 3.27Å; I518-D520 PolarHBondContact O-N 3.43Å; I518-D521 WeakPolarHBondContact O-CB 3.5Å; I518-D521 PolarHBondContact O-N 2.96Å; I518-L548 HydrophobicContact CB-CD2 3.94Å; I518-L548 HydrophobicContact CG2-CD1 3.92Å; I518-L548 HydrophobicContact CG2-CD2 3.66Å; I518-L548 HydrophobicContact CG2-CG 4.45Å |
| 519 | T | 96.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -37.9 | 175.1 | -53 | 0 | 0 | 0 | 0 | 111.2 | Q126 F515 V516 E517 Q522 E545 R549 | Q126-T519 PolarHBondContact NE2-O 2.77Å; Q126-T519 VanDerWaalsContact NE2-O 3.09Å; F515-T519 WeakPolarHBondContact O-CB 3.48Å; F515-T519 PolarHBondContact O-N 3.5Å; F515-T519 VanDerWaalsContact O-N 3.08Å; F515-T519 PolarHBondContact O-OG1 3.14Å; V516-T519 WeakPolarHBondContact O-CB 3.31Å; V516-T519 PolarHBondContact O-N 3.36Å; E517-T519 VanDerWaalsContact C-N 3.29Å; E517-T519 PolarHBondContact O-N 2.99Å; T519-Q522 VanDerWaalsContact O-CG 3.29Å; T519-Q522 WeakPolarHBondContact O-CG 3.38Å; T519-Q522 PolarHBondContact O-NE2 3.32Å; T519-E545 WeakPolarHBondContact CA-OE2 3.34Å; T519-R549 PolarHBondContact OG1-NH1 3.34Å |
| 520 | D | 95 | Very high | 96.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.9 | -26.9 | 178.7 | -79.3 | -12 | 0 | 0 | 0 | 113 | K94 Y96 V516 E517 I518 Q522 F523 | K94-D520 VanDerWaalsContact CD-OD2 3.26Å; K94-D520 WeakPolarHBondContact CD-OD2 3.44Å; K94-D520 WeakPolarHBondContact CE-OD2 3.47Å; K94-D520 WeakPolarHBondContact CG-OD2 3.44Å; K94-D520 IonicContact NZ-OD2 2.71Å; Y96-D520 WeakPolarHBondContact CE2-OD1 3.28Å; V516-D520 PolarHBondContact O-N 3.11Å; E517-D520 CarbonylContact O-C 3.48Å; E517-D520 WeakPolarHBondContact O-CA 3.47Å; E517-D520 WeakPolarHBondContact O-CB 3.26Å; E517-D520 PolarHBondContact O-N 3.48Å; I518-D520 VanDerWaalsContact C-N 3.27Å; I518-D520 PolarHBondContact O-N 3.43Å; D520-Q522 PolarHBondContact O-N 3.4Å; D520-F523 WeakPolarHBondContact O-CB 3.44Å; D520-F523 PolarHBondContact O-N 3.33Å |
| 521 | D | 96.1 | Very high | 96 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -26.3 | 179.5 | -73 | -24.8 | 0 | 0 | 0 | 112.2 | E517 I518 F523 F525 | E517-D521 VanDerWaalsContact O-CG 3.3Å; E517-D521 PolarHBondContact O-N 3.35Å; I518-D521 WeakPolarHBondContact O-CB 3.5Å; I518-D521 PolarHBondContact O-N 2.96Å; D521-F523 PolarHBondContact O-N 3.25Å; D521-F523 VanDerWaalsContact O-N 3.14Å; D521-F525 WeakPolarHBondContact O-CD2 3.22Å; D521-F525 WeakPolarHBondContact O-CE2 3.45Å |
| 522 | Q | 96.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.023 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -21.3 | 175.8 | 87.8 | -173 | -89.8 | 0 | 0 | 113.1 | T519 D520 D524 F525 H526 L541 E545 | T519-Q522 VanDerWaalsContact O-CG 3.29Å; T519-Q522 WeakPolarHBondContact O-CG 3.38Å; T519-Q522 PolarHBondContact O-NE2 3.32Å; D520-Q522 PolarHBondContact O-N 3.4Å; Q522-D524 PolarHBondContact O-N 2.8Å; Q522-F525 WeakPolarHBondContact O-CB 3.43Å; Q522-F525 PolarHBondContact O-N 3.49Å; Q522-H526 PolarHBondContact O-N 3.17Å; Q522-L541 HydrophobicContact CB-CD2 4.31Å; Q522-E545 HydrophobicContact CB-CG 4.07Å; Q522-E545 HydrophobicContact CG-CG 4.5Å |
| 523 | F | 96.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 50 Ų | 50 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | -167.8 | -173.6 | -102.2 | 0 | 0 | 0 | 113.3 | Y96 L122 L123 Q126 D520 D521 F525 H526 | Y96-F523 HydrophobicContact CE1-CD2 4.4Å; Y96-F523 HydrophobicContact CE1-CE2 4.42Å; L122-F523 HydrophobicContact CB-CE2 3.99Å; L122-F523 HydrophobicContact CB-CZ 3.96Å; L123-F523 HydrophobicContact CD2-CE2 3.72Å; L123-F523 HydrophobicContact CD2-CZ 3.98Å; Q126-F523 HydrophobicContact CB-CD2 4.1Å; Q126-F523 HydrophobicContact CB-CE2 4.4Å; Q126-F523 HydrophobicContact CG-CD2 4.1Å; D520-F523 WeakPolarHBondContact O-CB 3.44Å; D520-F523 PolarHBondContact O-N 3.33Å; D521-F523 PolarHBondContact O-N 3.25Å; D521-F523 VanDerWaalsContact O-N 3.14Å; F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 3.11Å; F523-H526 AromaticContact CD2-CD2 3.96Å; F523-H526 WeakPolarHBondContact O-CB 3.37Å; F523-H526 PolarHBondContact O-CD2 2.97Å; F523-H526 PolarHBondContact O-N 3.09Å |
| 524 | D | 94.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71.6 | -26.4 | -179.7 | -75.8 | -16.9 | 0 | 0 | 0 | 111.7 | Q522 H526 T527 Y528 | Q522-D524 PolarHBondContact O-N 2.8Å; D524-H526 VanDerWaalsContact C-N 3.27Å; D524-H526 PolarHBondContact O-N 3.44Å; D524-T527 PolarHBondContact O-N 3.14Å; D524-T527 PolarHBondContact O-OG1 3.39Å; D524-Y528 PolarHBondContact O-N 3.39Å; D524-Y528 VanDerWaalsContact O-N 3.12Å |
| 525 | F | 97.7 | Very high | 95.4 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 40% | 0.395 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.1 | -25.3 | 179.2 | -66.3 | -80.5 | 0 | 0 | 0 | 113.2 | D521 Q522 F523 T527 Y528 C529 L541 | D521-F525 WeakPolarHBondContact O-CD2 3.22Å; D521-F525 WeakPolarHBondContact O-CE2 3.45Å; Q522-F525 WeakPolarHBondContact O-CB 3.43Å; Q522-F525 PolarHBondContact O-N 3.49Å; F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 3.11Å; F525-T527 PolarHBondContact O-N 2.79Å; F525-Y528 HydrophobicContact CD1-CD1 4.21Å; F525-Y528 PolarHBondContact O-N 3.33Å; F525-C529 WeakPolarHBondContact O-CB 3.37Å; F525-C529 PolarHBondContact O-N 2.93Å; F525-C529 PolarHBondContact O-SG 3.43Å; F525-L541 HydrophobicContact CB-CD2 3.84Å; F525-L541 HydrophobicContact CD2-CD2 4.16Å; F525-L541 HydrophobicContact CG-CD2 3.99Å |
| 526 | H | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.3 | -44.2 | 173.4 | -59.8 | -37.3 | 0 | 0 | 0 | 111.9 | L122 I125 Q126 Q522 F523 D524 M530 Y538 | L122-H526 HydrophobicContact CD2-CB 3.64Å; I125-H526 HydrophobicContact CG2-CB 4.35Å; Q126-H526 PolarHBondContact OE1-NE2 2.94Å; Q522-H526 PolarHBondContact O-N 3.17Å; F523-H526 AromaticContact CD2-CD2 3.96Å; F523-H526 WeakPolarHBondContact O-CB 3.37Å; F523-H526 PolarHBondContact O-CD2 2.97Å; F523-H526 PolarHBondContact O-N 3.09Å; D524-H526 VanDerWaalsContact C-N 3.27Å; D524-H526 PolarHBondContact O-N 3.44Å; H526-M530 WeakPolarHBondContact O-CE 3.28Å; H526-M530 WeakPolarHBondContact O-CG 3.25Å; H526-Y538 WeakPolarHBondContact CA-OH 3.25Å; H526-Y538 AromaticContact ND1-CE2 3.59Å; H526-Y538 AromaticContact ND1-CZ 3.62Å; H526-Y538 PolarHBondContact ND1-OH 3.4Å |
| 527 | T | 93.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -84.5 | -38.4 | 176.9 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | L122 D524 F525 R531 | L122-T527 HydrophobicContact CD1-CG2 3.5Å; L122-T527 VanDerWaalsContact CD1-CG2 3.5Å; L122-T527 HydrophobicContact CD2-CG2 3.52Å; L122-T527 HydrophobicContact CG-CG2 4.15Å; D524-T527 PolarHBondContact O-N 3.14Å; D524-T527 PolarHBondContact O-OG1 3.39Å; F525-T527 PolarHBondContact O-N 2.79Å; T527-R531 PolarHBondContact O-N 3.17Å |
| 528 | Y | 96.5 | Very high | 95.7 | Very high | 99 Ų | 99 | 46.2 Ų | 46.2 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -48.6 | -175.3 | 179.7 | -87.6 | 0 | 0 | 0 | 111.7 | D524 F525 M530 R531 K532 | D524-Y528 PolarHBondContact O-N 3.39Å; D524-Y528 VanDerWaalsContact O-N 3.12Å; F525-Y528 HydrophobicContact CD1-CD1 4.21Å; F525-Y528 PolarHBondContact O-N 3.33Å; Y528-M530 PolarHBondContact O-N 3.32Å; Y528-R531 WeakPolarHBondContact O-CA 3.36Å; Y528-R531 WeakPolarHBondContact O-CB 3.31Å; Y528-R531 PolarHBondContact O-N 2.96Å; Y528-K532 HydrophobicContact CD1-CB 4.48Å; Y528-K532 HydrophobicContact CD1-CG 4.05Å; Y528-K532 HydrophobicContact CD2-CG 4.49Å; Y528-K532 HydrophobicContact CE1-CB 4.17Å; Y528-K532 HydrophobicContact CE1-CG 3.62Å; Y528-K532 HydrophobicContact CE2-CG 4.1Å; Y528-K532 HydrophobicContact CG-CG 4.45Å; Y528-K532 PolarHBondContact O-N 3.26Å |
| 529 | C | 96.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -35.1 | -175.2 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | F525 R531 K532 M533 Y538 | F525-C529 WeakPolarHBondContact O-CB 3.37Å; F525-C529 PolarHBondContact O-N 2.93Å; F525-C529 PolarHBondContact O-SG 3.43Å; C529-R531 PolarHBondContact O-N 2.99Å; C529-K532 PolarHBondContact O-N 3.09Å; C529-M533 WeakPolarHBondContact O-CA 3.11Å; C529-M533 PolarHBondContact O-N 2.86Å; C529-Y538 HydrophobicContact CB-CD1 4.44Å; C529-Y538 HydrophobicContact CB-CD2 3.74Å; C529-Y538 HydrophobicContact CB-CG 3.65Å |
| 530 | M | 91.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -29.7 | 171 | -68.4 | -169.8 | -70.7 | 0 | 0 | 112.6 | R137 I152 H526 Y528 | R137-M530 PolarHBondContact NH2-SD 3.18Å; R137-M530 VanDerWaalsContact NH2-SD 3.44Å; I152-M530 HydrophobicContact CG2-CB 4.47Å; I152-M530 HydrophobicContact CG2-CG 4.02Å; H526-M530 WeakPolarHBondContact O-CE 3.28Å; H526-M530 WeakPolarHBondContact O-CG 3.25Å; Y528-M530 PolarHBondContact O-N 3.32Å |
| 531 | R | 90.9 | Very high | 95.9 | Very high | 153 Ų | 153 | 47.6 Ų | 47.6 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -79.5 | -37.1 | 176.6 | 180 | 179.3 | 62.2 | -171.5 | -2.6 | 112.1 | T527 Y528 C529 | T527-R531 PolarHBondContact O-N 3.17Å; Y528-R531 WeakPolarHBondContact O-CA 3.36Å; Y528-R531 WeakPolarHBondContact O-CB 3.31Å; Y528-R531 PolarHBondContact O-N 2.96Å; C529-R531 PolarHBondContact O-N 2.99Å |
| 532 | K | 92.7 | Very high | 96 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -91.2 | -6.7 | -177.5 | -69.1 | -60 | -168.6 | 175.3 | 0 | 114.7 | Y528 C529 T534 | Y528-K532 HydrophobicContact CD1-CB 4.48Å; Y528-K532 HydrophobicContact CD1-CG 4.05Å; Y528-K532 HydrophobicContact CD2-CG 4.49Å; Y528-K532 HydrophobicContact CE1-CB 4.17Å; Y528-K532 HydrophobicContact CE1-CG 3.62Å; Y528-K532 HydrophobicContact CE2-CG 4.1Å; Y528-K532 HydrophobicContact CG-CG 4.45Å; Y528-K532 PolarHBondContact O-N 3.26Å; C529-K532 PolarHBondContact O-N 3.09Å; K532-T534 PolarHBondContact O-N 3.07Å |
| 533 | M | 92.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 15.9 | 178.6 | -61.3 | -68.8 | -68.8 | 0 | 0 | 115.2 | I152 F174 E188 E191 L192 C529 L535 | I152-M533 HydrophobicContact CD1-CE 3.98Å; I152-M533 HydrophobicContact CD1-SD 3.15Å; I152-M533 WeakPolarHBondContact CD1-SD 3.16Å; I152-M533 HydrophobicContact CG1-CE 4.46Å; I152-M533 HydrophobicContact CG1-SD 4.16Å; F174-M533 HydrophobicContact CE1-CE 4.16Å; E188-M533 HydrophobicContact CB-CB 3.78Å; E188-M533 HydrophobicContact CB-CG 3.79Å; E188-M533 HydrophobicContact CG-CB 3.95Å; E188-M533 HydrophobicContact CG-CG 3.97Å; E191-M533 WeakPolarHBondContact CB-O 3.29Å; L192-M533 HydrophobicContact CB-CE 3.9Å; L192-M533 HydrophobicContact CD1-CE 4.11Å; L192-M533 HydrophobicContact CD2-CE 4.24Å; L192-M533 HydrophobicContact CG-CE 4.31Å; C529-M533 WeakPolarHBondContact O-CA 3.11Å; C529-M533 PolarHBondContact O-N 2.86Å; M533-L535 HydrophobicContact CE-CD1 4.37Å; M533-L535 PolarHBondContact O-N 3.07Å |
| 534 | T | 95.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 51 Ų | 51 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -80.4 | 63 | 174.1 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | Y187 K532 Y538 | Y187-T534 HydrophobicContact CE1-CG2 4.11Å; K532-T534 PolarHBondContact O-N 3.07Å; T534-Y538 WeakPolarHBondContact O-CB 3.39Å; T534-Y538 PolarHBondContact O-N 3.42Å; T534-Y538 VanDerWaalsContact O-N 3.13Å | ||
| 535 | L | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.9 | -37 | -165.9 | -55.2 | -175 | 0 | 0 | 0 | 113.2 | I152 I156 L192 Y195 M533 Y538 V539 | I152-L535 HydrophobicContact CG1-CD1 4.42Å; I152-L535 HydrophobicContact CG2-CD1 4Å; I152-L535 HydrophobicContact CG2-CD2 3.49Å; I152-L535 VanDerWaalsContact CG2-CD2 3.49Å; I152-L535 HydrophobicContact CG2-CG 4.4Å; I156-L535 HydrophobicContact CD1-CD2 4.36Å; L192-L535 HydrophobicContact CD1-CD1 4.14Å; Y195-L535 HydrophobicContact CD1-CB 4.05Å; Y195-L535 HydrophobicContact CD1-CD1 3.59Å; Y195-L535 HydrophobicContact CD1-CG 4.48Å; Y195-L535 HydrophobicContact CD2-CB 3.73Å; Y195-L535 HydrophobicContact CE1-CB 4.5Å; Y195-L535 HydrophobicContact CE1-CD1 4.04Å; Y195-L535 HydrophobicContact CE2-CB 4.21Å; Y195-L535 HydrophobicContact CG-CB 3.63Å; Y195-L535 HydrophobicContact CG-CD1 4Å; Y195-L535 HydrophobicContact CG-CG 4.45Å; M533-L535 HydrophobicContact CE-CD1 4.37Å; M533-L535 PolarHBondContact O-N 3.07Å; L535-Y538 PolarHBondContact O-N 3.26Å; L535-V539 PolarHBondContact O-N 3.49Å |
| 536 | R | 97.9 | Very high | 96.3 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -55.4 | 176.3 | -60.2 | -176 | -71.5 | 158.2 | -0.7 | 110.4 | E191 L194 Y195 Q198 D222 Y538 V539 D540 | E191-R536 IonicContact OE1-CZ 3.98Å; E191-R536 IonicContact OE1-NE 3.14Å; E191-R536 IonicContact OE1-NH2 3.73Å; E191-R536 PolarHBondContact OE1-NH2 3.39Å; E191-R536 IonicContact OE2-CZ 2.8Å; E191-R536 IonicContact OE2-NE 2.79Å; E191-R536 PolarHBondContact OE2-NE 3.06Å; E191-R536 IonicContact OE2-NH2 3.7Å; E191-R536 PolarHBondContact OE2-NH2 3.44Å; L194-R536 VanDerWaalsContact CD1-CZ 3.48Å; L194-R536 VanDerWaalsContact CD1-NH2 3.29Å; Y195-R536 HydrophobicContact CD2-CG 4.37Å; Q198-R536 VanDerWaalsContact OE1-CG 3.32Å; D222-R536 IonicContact OD2-CZ 2.66Å; D222-R536 IonicContact OD2-NH1 2.83Å; D222-R536 IonicContact OD2-NH2 3.02Å; D222-R536 PolarHBondContact OD2-NH2 2.95Å; R536-Y538 PolarHBondContact O-N 3.01Å; R536-V539 PolarHBondContact O-N 3.24Å; R536-V539 VanDerWaalsContact O-N 3.14Å; R536-D540 VanDerWaalsContact O-CG 3.3Å; R536-D540 PolarHBondContact O-N 2.83Å |
| 537 | S | 98.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -31.6 | 177.1 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | L541 | S537-L541 WeakPolarHBondContact O-CB 3.41Å; S537-L541 PolarHBondContact O-N 3.39Å |
| 538 | Y | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -46.3 | 175.8 | 177.4 | -120 | 0 | 0 | 0 | 112.3 | I125 I156 H526 C529 T534 L535 R536 D540 L541 L542 | I125-Y538 HydrophobicContact CD1-CE1 4.48Å; I125-Y538 VanDerWaalsContact CD1-OH 3.29Å; I125-Y538 WeakPolarHBondContact CD1-OH 3.31Å; I156-Y538 HydrophobicContact CD1-CD1 3.8Å; I156-Y538 HydrophobicContact CD1-CE1 3.88Å; I156-Y538 HydrophobicContact CG2-CE1 4.25Å; H526-Y538 WeakPolarHBondContact CA-OH 3.25Å; H526-Y538 AromaticContact ND1-CE2 3.59Å; H526-Y538 AromaticContact ND1-CZ 3.62Å; H526-Y538 PolarHBondContact ND1-OH 3.4Å; C529-Y538 HydrophobicContact CB-CD1 4.44Å; C529-Y538 HydrophobicContact CB-CD2 3.74Å; C529-Y538 HydrophobicContact CB-CG 3.65Å; T534-Y538 WeakPolarHBondContact O-CB 3.39Å; T534-Y538 PolarHBondContact O-N 3.42Å; T534-Y538 VanDerWaalsContact O-N 3.13Å; L535-Y538 PolarHBondContact O-N 3.26Å; R536-Y538 PolarHBondContact O-N 3.01Å; Y538-D540 VanDerWaalsContact C-N 3.3Å; Y538-D540 PolarHBondContact O-N 3.11Å; Y538-L541 WeakPolarHBondContact O-CB 3.45Å; Y538-L541 PolarHBondContact O-N 3.41Å; Y538-L542 HydrophobicContact CD1-CD1 4.27Å; Y538-L542 HydrophobicContact CD2-CG 4.5Å; Y538-L542 HydrophobicContact CE1-CD1 3.76Å; Y538-L542 HydrophobicContact CE1-CG 4.49Å; Y538-L542 HydrophobicContact CE2-CD1 4.24Å; Y538-L542 HydrophobicContact CE2-CD2 4.04Å; Y538-L542 HydrophobicContact CE2-CG 4.13Å; Y538-L542 WeakPolarHBondContact O-CG 3.39Å; Y538-L542 PolarHBondContact O-N 2.87Å |
| 539 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | I156 L160 Y195 L535 R536 L542 K543 | I156-V539 HydrophobicContact CG2-CG2 4.47Å; L160-V539 HydrophobicContact CD2-CG1 4.26Å; Y195-V539 HydrophobicContact CE2-CG2 3.95Å; L535-V539 PolarHBondContact O-N 3.49Å; R536-V539 PolarHBondContact O-N 3.24Å; R536-V539 VanDerWaalsContact O-N 3.14Å; V539-L542 PolarHBondContact O-N 2.93Å; V539-K543 HydrophobicContact CG1-CD 4.07Å; V539-K543 HydrophobicContact CG1-CG 4.33Å; V539-K543 WeakPolarHBondContact O-CB 3.5Å; V539-K543 WeakPolarHBondContact O-CG 3.33Å; V539-K543 PolarHBondContact O-N 3.01Å |
| 540 | D | 98.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.4 | -67 | -19.7 | 0 | 0 | 0 | 112 | R536 Y538 K543 L544 | R536-D540 VanDerWaalsContact O-CG 3.3Å; R536-D540 PolarHBondContact O-N 2.83Å; Y538-D540 VanDerWaalsContact C-N 3.3Å; Y538-D540 PolarHBondContact O-N 3.11Å; D540-K543 PolarHBondContact O-N 3.01Å; D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 PolarHBondContact O-N 2.98Å |
| 541 | L | 98.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 171.6 | 174.2 | 64.7 | 0 | 0 | 0 | 110.7 | Q522 F525 S537 Y538 K543 L544 E545 | Q522-L541 HydrophobicContact CB-CD2 4.31Å; F525-L541 HydrophobicContact CB-CD2 3.84Å; F525-L541 HydrophobicContact CD2-CD2 4.16Å; F525-L541 HydrophobicContact CG-CD2 3.99Å; S537-L541 WeakPolarHBondContact O-CB 3.41Å; S537-L541 PolarHBondContact O-N 3.39Å; Y538-L541 WeakPolarHBondContact O-CB 3.45Å; Y538-L541 PolarHBondContact O-N 3.41Å; L541-K543 PolarHBondContact O-N 3.16Å; L541-L544 WeakPolarHBondContact O-CB 3.47Å; L541-L544 PolarHBondContact O-N 3.25Å; L541-E545 HydrophobicContact CD1-CG 3.99Å; L541-E545 HydrophobicContact CG-CG 4.37Å; L541-E545 VanDerWaalsContact O-CG 3.25Å; L541-E545 WeakPolarHBondContact O-CG 3.49Å; L541-E545 PolarHBondContact O-N 3.15Å |
| 542 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.7 | -63.3 | 174.6 | 0 | 0 | 0 | 111.9 | I125 R128 L160 Y538 V539 L544 E545 D546 | I125-L542 HydrophobicContact CD1-CD1 3.93Å; I125-L542 HydrophobicContact CG1-CD1 4.39Å; I125-L542 HydrophobicContact CG1-CD2 4.43Å; R128-L542 PolarHBondContact NH2-O 2.74Å; L160-L542 HydrophobicContact CD1-CD1 3.75Å; L160-L542 HydrophobicContact CD2-CD1 4.19Å; Y538-L542 HydrophobicContact CD1-CD1 4.27Å; Y538-L542 HydrophobicContact CD2-CG 4.5Å; Y538-L542 HydrophobicContact CE1-CD1 3.76Å; Y538-L542 HydrophobicContact CE1-CG 4.49Å; Y538-L542 HydrophobicContact CE2-CD1 4.24Å; Y538-L542 HydrophobicContact CE2-CD2 4.04Å; Y538-L542 HydrophobicContact CE2-CG 4.13Å; Y538-L542 WeakPolarHBondContact O-CG 3.39Å; Y538-L542 PolarHBondContact O-N 2.87Å; V539-L542 PolarHBondContact O-N 2.93Å; L542-L544 VanDerWaalsContact C-N 3.34Å; L542-L544 PolarHBondContact O-N 3.46Å; L542-E545 PolarHBondContact O-N 3.38Å; L542-D546 PolarHBondContact O-N 2.97Å; L542-D546 VanDerWaalsContact O-N 3.09Å |
| 543 | K | 97.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.9 | -72.1 | 177.3 | 177.9 | 179.7 | 0 | 111.6 | E202 V539 D540 L541 | E202-K543 VanDerWaalsContact CD-NZ 3.29Å; E202-K543 IonicContact OE1-NZ 3.7Å; E202-K543 PolarHBondContact OE1-NZ 3.39Å; E202-K543 IonicContact OE2-NZ 3.8Å; E202-K543 PolarHBondContact OE2-NZ 2.85Å; V539-K543 HydrophobicContact CG1-CD 4.07Å; V539-K543 HydrophobicContact CG1-CG 4.33Å; V539-K543 WeakPolarHBondContact O-CB 3.5Å; V539-K543 WeakPolarHBondContact O-CG 3.33Å; V539-K543 PolarHBondContact O-N 3.01Å; D540-K543 PolarHBondContact O-N 3.01Å; L541-K543 PolarHBondContact O-N 3.16Å |
| 544 | L | 98.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.8 | 171.6 | 64.1 | 0 | 0 | 0 | 111.3 | D540 L541 L542 D546 V547 L548 | D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 PolarHBondContact O-N 2.98Å; L541-L544 WeakPolarHBondContact O-CB 3.47Å; L541-L544 PolarHBondContact O-N 3.25Å; L542-L544 VanDerWaalsContact C-N 3.34Å; L542-L544 PolarHBondContact O-N 3.46Å; L544-D546 VanDerWaalsContact C-N 3.27Å; L544-D546 PolarHBondContact O-N 3.19Å; L544-V547 CarbonylContact O-C 3.53Å; L544-V547 WeakPolarHBondContact O-CG2 3.45Å; L544-V547 PolarHBondContact O-N 2.84Å; L544-L548 PolarHBondContact O-N 3.22Å |
| 545 | E | 98 | Very high | 97.9 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | -177.7 | -69.8 | -63.6 | 166.3 | 0 | 0 | 112.4 | T519 Q522 L541 L542 V547 L548 | T519-E545 WeakPolarHBondContact CA-OE2 3.34Å; Q522-E545 HydrophobicContact CB-CG 4.07Å; Q522-E545 HydrophobicContact CG-CG 4.5Å; L541-E545 HydrophobicContact CD1-CG 3.99Å; L541-E545 HydrophobicContact CG-CG 4.37Å; L541-E545 VanDerWaalsContact O-CG 3.25Å; L541-E545 WeakPolarHBondContact O-CG 3.49Å; L541-E545 PolarHBondContact O-N 3.15Å; L542-E545 PolarHBondContact O-N 3.38Å; E545-V547 PolarHBondContact O-N 3.43Å; E545-V547 VanDerWaalsContact O-N 3.13Å; E545-L548 PolarHBondContact O-N 2.89Å |
| 546 | D | 97.4 | Very high | 98 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.7 | 175.9 | -69 | -11.1 | 0 | 0 | 0 | 112.9 | R128 L542 L544 | R128-D546 IonicContact CZ-OD1 3.65Å; R128-D546 IonicContact NE-OD1 3.57Å; R128-D546 PolarHBondContact NE-OD1 2.86Å; R128-D546 IonicContact NE-OD2 3.9Å; R128-D546 IonicContact NH2-OD1 3Å; R128-D546 PolarHBondContact NH2-OD1 2.96Å; L542-D546 PolarHBondContact O-N 2.97Å; L542-D546 VanDerWaalsContact O-N 3.09Å; L544-D546 VanDerWaalsContact C-N 3.27Å; L544-D546 PolarHBondContact O-N 3.19Å |
| 547 | V | 97.8 | Very high | 98 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 15.4 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | L544 E545 R549 M550 L667 | L544-V547 CarbonylContact O-C 3.53Å; L544-V547 WeakPolarHBondContact O-CG2 3.45Å; L544-V547 PolarHBondContact O-N 2.84Å; E545-V547 PolarHBondContact O-N 3.43Å; E545-V547 VanDerWaalsContact O-N 3.13Å; V547-R549 VanDerWaalsContact C-N 3.26Å; V547-R549 PolarHBondContact O-N 3.35Å; V547-R549 VanDerWaalsContact O-N 3.09Å; V547-M550 HydrophobicContact CG2-CE 4.27Å; V547-M550 WeakPolarHBondContact O-CB 3.34Å; V547-M550 PolarHBondContact O-N 3.48Å; V547-L667 HydrophobicContact CB-CD2 4.45Å; V547-L667 HydrophobicContact CG1-CD2 4.22Å |
| 548 | L | 98.1 | Very high | 98 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -51.9 | -42.9 | -171 | -174.5 | 72.2 | 0 | 0 | 0 | 112.9 | F515 I518 L544 E545 M550 H551 | F515-L548 HydrophobicContact CD1-CD2 3.78Å; F515-L548 HydrophobicContact CD1-CG 3.76Å; F515-L548 HydrophobicContact CE1-CD2 4.49Å; F515-L548 HydrophobicContact CE1-CG 4.04Å; F515-L548 WeakPolarHBondContact CE1-O 3.35Å; I518-L548 HydrophobicContact CB-CD2 3.94Å; I518-L548 HydrophobicContact CG2-CD1 3.92Å; I518-L548 HydrophobicContact CG2-CD2 3.66Å; I518-L548 HydrophobicContact CG2-CG 4.45Å; L544-L548 PolarHBondContact O-N 3.22Å; E545-L548 PolarHBondContact O-N 2.89Å; L548-M550 PolarHBondContact O-N 3.09Å; L548-M550 VanDerWaalsContact O-N 3.16Å; L548-H551 WeakPolarHBondContact O-CB 3.35Å; L548-H551 PolarHBondContact O-N 3.32Å; L548-H551 VanDerWaalsContact O-N 3.11Å |
| 549 | R | 97.9 | Very high | 98 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -74.3 | 2.6 | -179.4 | -71.7 | 175.8 | 178.7 | 73.8 | -4.5 | 114.3 | E512 F515 T519 V547 H551 Y554 P663 L667 | E512-R549 IonicContact OE1-CZ 2.73Å; E512-R549 IonicContact OE1-NE 3.22Å; E512-R549 PolarHBondContact OE1-NE 2.95Å; E512-R549 IonicContact OE1-NH2 2.65Å; E512-R549 PolarHBondContact OE1-NH2 2.75Å; E512-R549 IonicContact OE2-CZ 2.92Å; E512-R549 IonicContact OE2-NE 3.43Å; E512-R549 PolarHBondContact OE2-NE 3.13Å; E512-R549 VanDerWaalsContact OE2-NE 3.15Å; E512-R549 IonicContact OE2-NH2 3.26Å; F515-R549 HydrophobicContact CB-CG 4.24Å; F515-R549 HydrophobicContact CD1-CG 3.79Å; F515-R549 HydrophobicContact CG-CG 4.15Å; T519-R549 PolarHBondContact OG1-NH1 3.34Å; V547-R549 VanDerWaalsContact C-N 3.26Å; V547-R549 PolarHBondContact O-N 3.35Å; V547-R549 VanDerWaalsContact O-N 3.09Å; R549-H551 PolarHBondContact O-N 3.25Å; R549-Y554 HydrophobicContact CB-CD1 3.8Å; R549-Y554 HydrophobicContact CB-CD2 4.22Å; R549-Y554 HydrophobicContact CB-CE1 4.15Å; R549-Y554 HydrophobicContact CB-CG 3.84Å; R549-Y554 HydrophobicContact CG-CD1 4.33Å; R549-Y554 HydrophobicContact CG-CD2 3.85Å; R549-Y554 HydrophobicContact CG-CE2 4.11Å; R549-Y554 HydrophobicContact CG-CG 3.97Å; R549-Y554 WeakPolarHBondContact O-CD1 3.44Å; R549-P663 HydrophobicContact CB-CB 4.01Å; R549-L667 HydrophobicContact CB-CD1 3.82Å |
| 550 | M | 96.7 | Very high | 98 | Very high | 104 Ų | 104 | 46.3 Ų | 46.3 | 51% | 0.512 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -68.4 | -19.2 | 163.9 | -170.5 | 175.3 | 63.7 | 0 | 0 | 111.6 | V547 L548 L667 V668 | V547-M550 HydrophobicContact CG2-CE 4.27Å; V547-M550 WeakPolarHBondContact O-CB 3.34Å; V547-M550 PolarHBondContact O-N 3.48Å; L548-M550 PolarHBondContact O-N 3.09Å; L548-M550 VanDerWaalsContact O-N 3.16Å; M550-L667 HydrophobicContact CB-CB 4.46Å; M550-V668 HydrophobicContact CG-CG2 4.4Å |
| 551 | H | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 40% | 0.398 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -57.3 | 137.2 | -177.3 | -167.7 | -89.7 | 0 | 0 | 0 | 112.7 | F515 L548 R549 F553 Y554 Y555 | F515-H551 HydrophobicContact CE1-CB 3.93Å; F515-H551 HydrophobicContact CZ-CB 3.93Å; L548-H551 WeakPolarHBondContact O-CB 3.35Å; L548-H551 PolarHBondContact O-N 3.32Å; L548-H551 VanDerWaalsContact O-N 3.11Å; R549-H551 PolarHBondContact O-N 3.25Å; H551-F553 AromaticContact CE1-CD2 3.15Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.38Å; H551-F553 AromaticContact CE1-CE2 3.62Å; H551-F553 AromaticContact CE1-CG 3.75Å; H551-F553 AromaticContact ND1-CD2 3.44Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.38Å; H551-F553 AromaticContact ND1-CG 3.73Å; H551-F553 PolarHBondContact ND1-N 2.89Å; H551-F553 PolarHBondContact O-N 3.11Å; H551-Y554 WeakPolarHBondContact O-CB 3.41Å; H551-Y554 PolarHBondContact O-N 3.22Å; H551-Y555 PolarHBondContact O-N 3.4Å |
| 552 | P | 98 | Very high | 98 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.8 | -28.2 | -176.8 | -29.7 | 36.1 | 0 | 0 | 0 | 115.9 | Y555 K556 | P552-Y555 PolarHBondContact O-N 3.05Å; P552-K556 WeakPolarHBondContact O-CB 3.44Å; P552-K556 PolarHBondContact O-N 3.21Å |
| 553 | F | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.7 | -69.9 | -43.8 | 0 | 0 | 0 | 112.5 | M485 W486 T489 F515 H551 K556 A557 | M485-F553 HydrophobicContact CB-CB 4.07Å; M485-F553 HydrophobicContact CB-CD1 4.08Å; M485-F553 HydrophobicContact CB-CD2 3.6Å; M485-F553 HydrophobicContact CB-CE1 4.45Å; M485-F553 HydrophobicContact CB-CE2 4.04Å; M485-F553 HydrophobicContact CB-CG 3.67Å; M485-F553 HydrophobicContact CB-CZ 4.45Å; M485-F553 HydrophobicContact CG-CD2 4.22Å; M485-F553 HydrophobicContact CG-CG 4.49Å; M485-F553 HydrophobicContact SD-CB 3.78Å; M485-F553 HydrophobicContact SD-CD2 3.68Å; M485-F553 HydrophobicContact SD-CG 4.05Å; W486-F553 HydrophobicContact CB-CE1 3.99Å; W486-F553 HydrophobicContact CB-CZ 4Å; T489-F553 HydrophobicContact CG2-CD1 4.13Å; F515-F553 HydrophobicContact CE2-CB 4.39Å; F515-F553 HydrophobicContact CZ-CB 4.41Å; H551-F553 AromaticContact CE1-CD2 3.15Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.38Å; H551-F553 AromaticContact CE1-CE2 3.62Å; H551-F553 AromaticContact CE1-CG 3.75Å; H551-F553 AromaticContact ND1-CD2 3.44Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.38Å; H551-F553 AromaticContact ND1-CG 3.73Å; H551-F553 PolarHBondContact ND1-N 2.89Å; H551-F553 PolarHBondContact O-N 3.11Å; F553-K556 PolarHBondContact O-N 3.4Å; F553-A557 WeakPolarHBondContact O-CB 3.48Å; F553-A557 PolarHBondContact O-N 2.98Å |
| 554 | Y | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 174 | -177.1 | -97.4 | 0 | 0 | 0 | 110.2 | E512 F515 R549 H551 K556 A557 A558 F660 P663 L664 | E512-Y554 WeakPolarHBondContact OE2-CE2 3.31Å; F515-Y554 HydrophobicContact CD2-CD2 4.01Å; F515-Y554 HydrophobicContact CE2-CD2 4.34Å; F515-Y554 HydrophobicContact CG-CD2 4.24Å; R549-Y554 HydrophobicContact CB-CD1 3.8Å; R549-Y554 HydrophobicContact CB-CD2 4.22Å; R549-Y554 HydrophobicContact CB-CE1 4.15Å; R549-Y554 HydrophobicContact CB-CG 3.84Å; R549-Y554 HydrophobicContact CG-CD1 4.33Å; R549-Y554 HydrophobicContact CG-CD2 3.85Å; R549-Y554 HydrophobicContact CG-CE2 4.11Å; R549-Y554 HydrophobicContact CG-CG 3.97Å; R549-Y554 WeakPolarHBondContact O-CD1 3.44Å; H551-Y554 WeakPolarHBondContact O-CB 3.41Å; H551-Y554 PolarHBondContact O-N 3.22Å; Y554-K556 VanDerWaalsContact C-N 3.32Å; Y554-K556 PolarHBondContact O-N 3.2Å; Y554-A557 PolarHBondContact O-N 2.85Å; Y554-A558 HydrophobicContact CD1-CB 4.31Å; Y554-A558 HydrophobicContact CE1-CB 3.9Å; Y554-A558 VanDerWaalsContact O-CB 3.26Å; Y554-A558 WeakPolarHBondContact O-CB 3.16Å; Y554-A558 PolarHBondContact O-N 3.4Å; Y554-F660 PolarHBondContact OH-O 3.4Å; Y554-F660 VanDerWaalsContact OH-O 3.11Å; Y554-P663 HydrophobicContact CE1-CB 3.69Å; Y554-P663 HydrophobicContact CE1-CG 4.21Å; Y554-P663 WeakPolarHBondContact OH-CD 3.49Å; Y554-P663 WeakPolarHBondContact OH-CG 3.43Å; Y554-L664 HydrophobicContact CD1-CD2 3.71Å; Y554-L664 HydrophobicContact CE1-CD2 3.65Å; Y554-L664 HydrophobicContact CE1-CG 4.09Å |
| 555 | Y | 97.8 | Very high | 98 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 14% | 0.137 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54 | -47 | 178.1 | -179.9 | -97.3 | 0 | 0 | 0 | 112.4 | H551 P552 T559 L664 V668 K671 E673 | H551-Y555 PolarHBondContact O-N 3.4Å; P552-Y555 PolarHBondContact O-N 3.05Å; Y555-T559 HydrophobicContact CD1-CG2 4.33Å; Y555-T559 HydrophobicContact CD2-CG2 4.2Å; Y555-T559 HydrophobicContact CE1-CG2 4Å; Y555-T559 HydrophobicContact CE2-CG2 3.85Å; Y555-T559 HydrophobicContact CG-CG2 4.43Å; Y555-T559 WeakPolarHBondContact O-CB 3.36Å; Y555-T559 VanDerWaalsContact O-CG2 3.22Å; Y555-T559 WeakPolarHBondContact O-CG2 3.5Å; Y555-T559 PolarHBondContact O-N 3.04Å; Y555-T559 PolarHBondContact O-OG1 3.34Å; Y555-L664 HydrophobicContact CD2-CD1 4.4Å; Y555-L664 HydrophobicContact CD2-CD2 3.98Å; Y555-V668 HydrophobicContact CD2-CG1 4.21Å; Y555-V668 HydrophobicContact CE2-CG1 4.44Å; Y555-K671 HydrophobicContact CD2-CD 4.08Å; Y555-K671 HydrophobicContact CE1-CD 4.19Å; Y555-K671 HydrophobicContact CE2-CB 4.45Å; Y555-K671 HydrophobicContact CE2-CD 3.55Å; Y555-E673 WeakPolarHBondContact OH-CB 3.48Å; Y555-E673 PolarHBondContact OH-OE2 3.03Å |
| 556 | K | 97.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.6 | -170.5 | 175.4 | 176.6 | -163.2 | 0 | 112.3 | T489 E490 P552 F553 Y554 T559 T560 | T489-K556 HydrophobicContact CG2-CB 4.41Å; T489-K556 HydrophobicContact CG2-CD 4.22Å; T489-K556 HydrophobicContact CG2-CG 4.44Å; E490-K556 VanDerWaalsContact CD-NZ 3.3Å; E490-K556 IonicContact OE1-NZ 3.49Å; E490-K556 PolarHBondContact OE1-NZ 2.89Å; E490-K556 IonicContact OE2-NZ 3.07Å; P552-K556 WeakPolarHBondContact O-CB 3.44Å; P552-K556 PolarHBondContact O-N 3.21Å; F553-K556 PolarHBondContact O-N 3.4Å; Y554-K556 VanDerWaalsContact C-N 3.32Å; Y554-K556 PolarHBondContact O-N 3.2Å; K556-T559 PolarHBondContact O-OG1 3.35Å; K556-T559 VanDerWaalsContact O-OG1 3.1Å; K556-T560 WeakPolarHBondContact O-CB 3.44Å; K556-T560 PolarHBondContact O-N 3.22Å; K556-T560 PolarHBondContact O-OG1 2.6Å |
| 557 | A | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C508 I511 F553 Y554 T560 A561 | C508-A557 PolarHBondContact SG-O 3.01Å; I511-A557 HydrophobicContact CB-CB 4.04Å; I511-A557 HydrophobicContact CD1-CB 3.75Å; I511-A557 HydrophobicContact CG2-CB 3.85Å; F553-A557 WeakPolarHBondContact O-CB 3.48Å; F553-A557 PolarHBondContact O-N 2.98Å; Y554-A557 PolarHBondContact O-N 2.85Å; A557-T560 PolarHBondContact O-N 3.43Å; A557-A561 WeakPolarHBondContact O-CB 3.49Å; A557-A561 PolarHBondContact O-N 2.85Å |
| 558 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y554 T560 A561 I562 F660 L664 | Y554-A558 HydrophobicContact CD1-CB 4.31Å; Y554-A558 HydrophobicContact CE1-CB 3.9Å; Y554-A558 VanDerWaalsContact O-CB 3.26Å; Y554-A558 WeakPolarHBondContact O-CB 3.16Å; Y554-A558 PolarHBondContact O-N 3.4Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 3.15Å; A558-A561 PolarHBondContact O-N 3.06Å; A558-I562 WeakPolarHBondContact O-CB 3.44Å; A558-I562 WeakPolarHBondContact O-CD1 3.32Å; A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 3.1Å; A558-F660 HydrophobicContact CB-CB 4.03Å; A558-F660 HydrophobicContact CB-CD1 4.01Å; A558-F660 HydrophobicContact CB-CG 4.48Å; A558-L664 HydrophobicContact CB-CD1 3.88Å; A558-L664 HydrophobicContact CB-CD2 4.39Å; A558-L664 HydrophobicContact CB-CG 4.23Å |
| 559 | T | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 176.6 | 51 | 0 | 0 | 0 | 0 | 111.8 | Y555 K556 Q563 L664 L677 | Y555-T559 HydrophobicContact CD1-CG2 4.33Å; Y555-T559 HydrophobicContact CD2-CG2 4.2Å; Y555-T559 HydrophobicContact CE1-CG2 4Å; Y555-T559 HydrophobicContact CE2-CG2 3.85Å; Y555-T559 HydrophobicContact CG-CG2 4.43Å; Y555-T559 WeakPolarHBondContact O-CB 3.36Å; Y555-T559 VanDerWaalsContact O-CG2 3.22Å; Y555-T559 WeakPolarHBondContact O-CG2 3.5Å; Y555-T559 PolarHBondContact O-N 3.04Å; Y555-T559 PolarHBondContact O-OG1 3.34Å; K556-T559 PolarHBondContact O-OG1 3.35Å; K556-T559 VanDerWaalsContact O-OG1 3.1Å; T559-Q563 WeakPolarHBondContact O-CB 3.49Å; T559-Q563 WeakPolarHBondContact O-CG 3.35Å; T559-Q563 PolarHBondContact O-N 2.83Å; T559-L664 HydrophobicContact CG2-CD1 4.46Å; T559-L677 HydrophobicContact CG2-CD1 3.68Å |
| 560 | T | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | A492 L493 K496 K556 A557 A558 Q563 I564 | A492-T560 HydrophobicContact CB-CG2 4.37Å; L493-T560 HydrophobicContact CD2-CG2 4.23Å; L493-T560 WeakPolarHBondContact CD2-OG1 3.32Å; K496-T560 HydrophobicContact CD-CG2 3.95Å; K556-T560 WeakPolarHBondContact O-CB 3.44Å; K556-T560 PolarHBondContact O-N 3.22Å; K556-T560 PolarHBondContact O-OG1 2.6Å; A557-T560 PolarHBondContact O-N 3.43Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 3.15Å; T560-Q563 PolarHBondContact O-N 3Å; T560-I564 HydrophobicContact CG2-CD1 4.05Å; T560-I564 WeakPolarHBondContact O-CG1 3.31Å; T560-I564 PolarHBondContact O-N 3.39Å |
| 561 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L505 C508 A557 A558 Q563 I564 Y565 F660 | L505-A561 HydrophobicContact CD2-CB 4.15Å; C508-A561 HydrophobicContact CB-CB 3.88Å; A557-A561 WeakPolarHBondContact O-CB 3.49Å; A557-A561 PolarHBondContact O-N 2.85Å; A558-A561 PolarHBondContact O-N 3.06Å; A561-Q563 VanDerWaalsContact C-N 3.35Å; A561-Q563 PolarHBondContact O-N 3.36Å; A561-I564 PolarHBondContact O-N 2.89Å; A561-Y565 HydrophobicContact CB-CD2 4.49Å; A561-Y565 HydrophobicContact CB-CE2 4.37Å; A561-Y565 WeakPolarHBondContact O-CD2 3.44Å; A561-Y565 PolarHBondContact O-N 3.43Å; A561-F660 HydrophobicContact CB-CD1 4.28Å; A561-F660 HydrophobicContact CB-CD2 3.89Å; A561-F660 HydrophobicContact CB-CE1 4.33Å; A561-F660 HydrophobicContact CB-CE2 3.95Å; A561-F660 HydrophobicContact CB-CG 4.06Å; A561-F660 HydrophobicContact CB-CZ 4.17Å |
| 562 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.2 | -67.6 | 161.7 | 0 | 0 | 0 | 110.4 | A558 I564 Y565 L566 A657 F660 L661 L664 L677 I681 | A558-I562 WeakPolarHBondContact O-CB 3.44Å; A558-I562 WeakPolarHBondContact O-CD1 3.32Å; A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 3.1Å; I562-I564 VanDerWaalsContact C-N 3.31Å; I562-I564 PolarHBondContact O-N 2.97Å; I562-Y565 PolarHBondContact O-N 2.72Å; I562-L566 HydrophobicContact CG2-CD1 3.89Å; I562-L566 HydrophobicContact CG2-CG 4.25Å; I562-L566 WeakPolarHBondContact O-CB 3.44Å; I562-L566 VanDerWaalsContact O-CG 3.27Å; I562-L566 WeakPolarHBondContact O-CG 3.4Å; I562-L566 PolarHBondContact O-N 2.9Å; I562-A657 HydrophobicContact CG1-CB 4.44Å; I562-A657 HydrophobicContact CG2-CB 4.47Å; I562-F660 HydrophobicContact CD1-CB 4.24Å; I562-F660 HydrophobicContact CG1-CB 3.99Å; I562-L661 HydrophobicContact CD1-CB 3.98Å; I562-L661 HydrophobicContact CD1-CD1 4.28Å; I562-L664 HydrophobicContact CD1-CD1 4.31Å; I562-L677 HydrophobicContact CD1-CD1 4.28Å; I562-L677 HydrophobicContact CG2-CB 4.27Å; I562-L677 HydrophobicContact CG2-CD2 3.86Å; I562-L677 HydrophobicContact CG2-CG 4.48Å; I562-I681 HydrophobicContact CG2-CD1 3.77Å; I562-I681 HydrophobicContact CG2-CG1 4.3Å |
| 563 | Q | 97.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.7 | -73.8 | 170.3 | -12.1 | 0 | 0 | 111.8 | T559 T560 A561 L566 S567 L677 | T559-Q563 WeakPolarHBondContact O-CB 3.49Å; T559-Q563 WeakPolarHBondContact O-CG 3.35Å; T559-Q563 PolarHBondContact O-N 2.83Å; T560-Q563 PolarHBondContact O-N 3Å; A561-Q563 VanDerWaalsContact C-N 3.35Å; A561-Q563 PolarHBondContact O-N 3.36Å; Q563-L566 PolarHBondContact O-N 3.22Å; Q563-S567 PolarHBondContact O-N 3.5Å; Q563-S567 PolarHBondContact O-OG 3.04Å; Q563-S567 VanDerWaalsContact O-OG 3.12Å; Q563-L677 HydrophobicContact CG-CD2 4.25Å |
| 564 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 176.2 | -67.1 | 164.4 | 0 | 0 | 0 | 111 | K496 F501 A504 L505 T560 A561 I562 L566 S567 L568 | K496-I564 HydrophobicContact CB-CD1 4.28Å; K496-I564 HydrophobicContact CD-CD1 4.36Å; K496-I564 HydrophobicContact CD-CG1 4.07Å; K496-I564 HydrophobicContact CG-CD1 4.2Å; K496-I564 HydrophobicContact CG-CG1 4.01Å; F501-I564 HydrophobicContact CB-CG2 3.7Å; F501-I564 HydrophobicContact CD1-CD1 4.45Å; F501-I564 HydrophobicContact CD1-CG1 3.95Å; F501-I564 HydrophobicContact CD1-CG2 3.91Å; F501-I564 HydrophobicContact CE1-CG1 4.43Å; F501-I564 HydrophobicContact CG-CG2 3.81Å; A504-I564 HydrophobicContact CB-CD1 3.52Å; L505-I564 HydrophobicContact CD1-CG2 3.89Å; L505-I564 HydrophobicContact CD2-CB 4.12Å; L505-I564 HydrophobicContact CD2-CD1 4.31Å; L505-I564 HydrophobicContact CD2-CG2 3.95Å; L505-I564 HydrophobicContact CG-CB 4.44Å; L505-I564 HydrophobicContact CG-CD1 4.37Å; L505-I564 HydrophobicContact CG-CG2 3.8Å; T560-I564 HydrophobicContact CG2-CD1 4.05Å; T560-I564 WeakPolarHBondContact O-CG1 3.31Å; T560-I564 PolarHBondContact O-N 3.39Å; A561-I564 PolarHBondContact O-N 2.89Å; I562-I564 VanDerWaalsContact C-N 3.31Å; I562-I564 PolarHBondContact O-N 2.97Å; I564-L566 VanDerWaalsContact C-N 3.32Å; I564-L566 PolarHBondContact O-N 3.15Å; I564-S567 WeakPolarHBondContact O-CB 3.49Å; I564-S567 PolarHBondContact O-N 3.31Å; I564-S567 VanDerWaalsContact O-N 3.14Å; I564-L568 HydrophobicContact CG2-CD1 3.91Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.39Å |
| 565 | Y | 98.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 179.4 | -74.9 | -53 | 0 | 0 | 0 | 113.2 | L505 H509 A561 I562 L568 H569 V650 P653 E656 A657 F660 | L505-Y565 HydrophobicContact CD1-CD1 4.31Å; L505-Y565 HydrophobicContact CD1-CE1 3.69Å; L505-Y565 HydrophobicContact CD2-CD1 4.47Å; L505-Y565 HydrophobicContact CD2-CD2 4.14Å; L505-Y565 HydrophobicContact CD2-CE1 4.03Å; L505-Y565 HydrophobicContact CD2-CE2 3.65Å; H509-Y565 PolarHBondContact NE2-OH 3.49Å; A561-Y565 HydrophobicContact CB-CD2 4.49Å; A561-Y565 HydrophobicContact CB-CE2 4.37Å; A561-Y565 WeakPolarHBondContact O-CD2 3.44Å; A561-Y565 PolarHBondContact O-N 3.43Å; I562-Y565 PolarHBondContact O-N 2.72Å; Y565-L568 HydrophobicContact CD1-CD1 4.21Å; Y565-H569 WeakPolarHBondContact O-CB 3.25Å; Y565-H569 PolarHBondContact O-N 3.45Å; Y565-V650 HydrophobicContact CD1-CG1 4.46Å; Y565-V650 HydrophobicContact CE1-CG1 4.04Å; Y565-P653 WeakPolarHBondContact CB-O 3.35Å; Y565-P653 HydrophobicContact CD1-CB 3.98Å; Y565-E656 HydrophobicContact CD1-CB 4.28Å; Y565-E656 HydrophobicContact CD2-CB 4.06Å; Y565-E656 HydrophobicContact CE1-CB 3.84Å; Y565-E656 HydrophobicContact CE1-CG 4.32Å; Y565-E656 HydrophobicContact CE2-CB 3.6Å; Y565-E656 HydrophobicContact CG-CB 4.39Å; Y565-E656 VanDerWaalsContact CZ-CB 3.47Å; Y565-A657 HydrophobicContact CD2-CB 4.23Å; Y565-A657 HydrophobicContact CG-CB 4.38Å; Y565-F660 HydrophobicContact CE2-CD2 4.23Å; Y565-F660 HydrophobicContact CE2-CE2 4.16Å |
| 566 | L | 96.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 170.5 | -70.9 | 170.4 | 0 | 0 | 0 | 110.8 | I562 Q563 I564 L568 H569 D570 L654 L677 E680 I681 | I562-L566 HydrophobicContact CG2-CD1 3.89Å; I562-L566 HydrophobicContact CG2-CG 4.25Å; I562-L566 WeakPolarHBondContact O-CB 3.44Å; I562-L566 VanDerWaalsContact O-CG 3.27Å; I562-L566 WeakPolarHBondContact O-CG 3.4Å; I562-L566 PolarHBondContact O-N 2.9Å; Q563-L566 PolarHBondContact O-N 3.22Å; I564-L566 VanDerWaalsContact C-N 3.32Å; I564-L566 PolarHBondContact O-N 3.15Å; L566-L568 PolarHBondContact O-N 3.29Å; L566-H569 PolarHBondContact O-N 3.15Å; L566-D570 VanDerWaalsContact O-CG 3.3Å; L566-D570 PolarHBondContact O-N 2.9Å; L566-L654 HydrophobicContact CD2-CD2 4.09Å; L566-L677 HydrophobicContact CD1-CD2 4.44Å; L566-E680 HydrophobicContact CD1-CB 3.74Å; L566-E680 HydrophobicContact CD1-CG 4.4Å; L566-E680 HydrophobicContact CD2-CB 4.13Å; L566-I681 HydrophobicContact CD2-CG1 3.93Å |
| 567 | S | 94.2 | Very high | 86.6 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | Q563 I564 H569 D570 N571 | Q563-S567 PolarHBondContact O-N 3.5Å; Q563-S567 PolarHBondContact O-OG 3.04Å; Q563-S567 VanDerWaalsContact O-OG 3.12Å; I564-S567 WeakPolarHBondContact O-CB 3.49Å; I564-S567 PolarHBondContact O-N 3.31Å; I564-S567 VanDerWaalsContact O-N 3.14Å; S567-H569 VanDerWaalsContact C-N 3.32Å; S567-D570 PolarHBondContact O-N 3.29Å; S567-N571 PolarHBondContact O-N 3.07Å |
| 568 | L | 94.4 | Very high | 84 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -31.3 | 175.9 | -71.4 | 172.4 | 0 | 0 | 0 | 112.6 | F501 L505 I564 Y565 L566 N571 P572 L573 V648 P653 | F501-L568 HydrophobicContact CD2-CD2 4Å; L505-L568 HydrophobicContact CD1-CD1 4.01Å; I564-L568 HydrophobicContact CG2-CD1 3.91Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.39Å; Y565-L568 HydrophobicContact CD1-CD1 4.21Å; L566-L568 PolarHBondContact O-N 3.29Å; L568-N571 CarbonylContact O-C 3.56Å; L568-P572 VanDerWaalsContact O-CA 3.27Å; L568-P572 WeakPolarHBondContact O-CA 3.33Å; L568-L573 HydrophobicContact CD2-CD1 4.35Å; L568-L573 HydrophobicContact CD2-CG 4.13Å; L568-V648 HydrophobicContact CD1-CB 4.35Å; L568-V648 HydrophobicContact CD1-CG1 4.23Å; L568-V648 HydrophobicContact CD2-CB 4.41Å; L568-P653 HydrophobicContact CB-CG 4.49Å |
| 569 | H | 94.7 | Very high | 81.2 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70 | -45.8 | 173.6 | 175.2 | -83.9 | 0 | 0 | 0 | 111.4 | Y565 L566 S567 P653 L654 | Y565-H569 WeakPolarHBondContact O-CB 3.25Å; Y565-H569 PolarHBondContact O-N 3.45Å; L566-H569 PolarHBondContact O-N 3.15Å; S567-H569 VanDerWaalsContact C-N 3.32Å; H569-P653 HydrophobicContact CB-CB 4.44Å; H569-L654 HydrophobicContact CB-CD2 4.03Å; H569-L654 HydrophobicContact CB-CG 4.31Å; H569-L654 VanDerWaalsContact CD2-CD1 3.49Å; H569-L654 WeakPolarHBondContact CD2-CD1 3.45Å |
| 570 | D | 91.4 | Very high | 78.4 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.8 | -35.1 | -177.3 | -64.6 | -14.6 | 0 | 0 | 0 | 112.2 | L566 S567 R684 | L566-D570 VanDerWaalsContact O-CG 3.3Å; L566-D570 PolarHBondContact O-N 2.9Å; S567-D570 PolarHBondContact O-N 3.29Å; D570-R684 VanDerWaalsContact CG-NE 3.28Å; D570-R684 WeakPolarHBondContact OD1-CD 3.4Å; D570-R684 IonicContact OD1-CZ 2.76Å; D570-R684 IonicContact OD1-NE 3.25Å; D570-R684 PolarHBondContact OD1-NE 3.46Å; D570-R684 IonicContact OD1-NH2 3.48Å; D570-R684 IonicContact OD2-CZ 3.89Å; D570-R684 VanDerWaalsContact OD2-CZ 3.28Å; D570-R684 IonicContact OD2-NE 2.67Å; D570-R684 PolarHBondContact OD2-NE 3.47Å; D570-R684 IonicContact OD2-NH2 2.84Å; D570-R684 PolarHBondContact OD2-NH2 3.14Å |
| 571 | N | 89.2 | Confident | 75.7 | Confident | 120 Ų | 120 | 69.1 Ų | 69.1 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -128.3 | 79.5 | 178.1 | -53.7 | -67.7 | 0 | 0 | 0 | 109.1 | S567 L568 L573 | S567-N571 PolarHBondContact O-N 3.07Å; L568-N571 CarbonylContact O-C 3.56Å; N571-L573 PolarHBondContact O-N 3.19Å |
| 572 | P | 86.5 | Confident | 73.1 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | trans | -57.2 | 137.8 | 174.7 | -22.9 | 34 | 0 | 0 | 0 | 110 | L568 T574 | L568-P572 VanDerWaalsContact O-CA 3.27Å; L568-P572 WeakPolarHBondContact O-CA 3.33Å; P572-T574 PolarHBondContact O-N 3.37Å | ||
| 573 | L | 81.6 | Confident | 70.5 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | trans | -58.2 | 112.8 | 174 | -64.9 | 175.4 | 0 | 0 | 0 | 108.1 | L568 N571 D575 V648 | L568-L573 HydrophobicContact CD2-CD1 4.35Å; L568-L573 HydrophobicContact CD2-CG 4.13Å; N571-L573 PolarHBondContact O-N 3.19Å; L573-D575 PolarHBondContact O-N 3.23Å; L573-V648 HydrophobicContact CD1-CB 3.79Å; L573-V648 HydrophobicContact CD1-CG2 3.79Å | ||
| 574 | T | 61.4 | Low | 67.9 | Low | 81 Ų | 81 | 76.8 Ų | 76.8 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | trans | -62.1 | 130.5 | 169.5 | 42.2 | 0 | 0 | 0 | 0 | 107.7 | P572 D576 | P572-T574 PolarHBondContact O-N 3.37Å; T574-D576 PolarHBondContact O-N 2.92Å; T574-D576 VanDerWaalsContact O-N 3.16Å | ||
| 575 | D | 55 | Low | 65.5 | Low | 105 Ų | 105 | 80.6 Ų | 80.6 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | trans | -51.3 | 128 | 167 | -96.8 | -31.9 | 0 | 0 | 0 | 107.7 | L573 S577 K578 | L573-D575 PolarHBondContact O-N 3.23Å; D575-S577 WeakPolarHBondContact CB-OG 3.47Å; D575-S577 PolarHBondContact O-N 3.31Å; D575-K578 PolarHBondContact O-N 3.38Å | ||
| 576 | D | 48.5 | Very low | 63.3 | Low | 126 Ų | 126 | 88.1 Ų | 88.1 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -16.1 | 177.3 | -63.3 | -34.1 | 0 | 0 | 0 | 113.1 | T574 L580 | T574-D576 PolarHBondContact O-N 2.92Å; T574-D576 VanDerWaalsContact O-N 3.16Å; D576-L580 WeakPolarHBondContact O-CD1 3.38Å |
| 577 | S | 42.2 | Very low | 61.2 | Low | 64 Ų | 64 | 90.6 Ų | 90.6 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25 | 173.2 | 69.3 | 0 | 0 | 0 | 0 | 115.8 | D575 Q581 | D575-S577 WeakPolarHBondContact CB-OG 3.47Å; D575-S577 PolarHBondContact O-N 3.31Å; S577-Q581 WeakPolarHBondContact O-CG 3.24Å |
| 578 | K | 42.8 | Very low | 59.6 | Low | 145 Ų | 145 | 91.3 Ų | 91.3 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -35.6 | -176.4 | -75.3 | -174.6 | 178.8 | 177.2 | 0 | 113.8 | D575 Q581 A582 | D575-K578 PolarHBondContact O-N 3.38Å; K578-Q581 PolarHBondContact O-N 2.89Å; K578-A582 PolarHBondContact O-N 3.44Å |
| 579 | E | 39.7 | Very low | 57.6 | Low | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | 173.3 | -76.7 | -174.7 | 152.9 | 0 | 0 | 111.4 | Q581 A582 D583 | E579-Q581 PolarHBondContact O-N 3.34Å; E579-A582 PolarHBondContact O-N 3.12Å; E579-D583 PolarHBondContact O-N 3.27Å |
| 580 | L | 40.1 | Very low | 55.8 | Low | 69 Ų | 69 | 103.5 Ų | 103.5 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -24.1 | 173 | -87.7 | 158.2 | 0 | 0 | 0 | 113.8 | D576 T584 | D576-L580 WeakPolarHBondContact O-CD1 3.38Å; L580-T584 VanDerWaalsContact O-CG2 3.29Å; L580-T584 WeakPolarHBondContact O-CG2 3.41Å; L580-T584 PolarHBondContact O-OG1 2.99Å |
| 581 | Q | 41.9 | Very low | 54 | Low | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -83.8 | -30.3 | 176.9 | -78.3 | 179.6 | 4.3 | 0 | 0 | 113 | S577 K578 E579 T584 | S577-Q581 WeakPolarHBondContact O-CG 3.24Å; K578-Q581 PolarHBondContact O-N 2.89Å; E579-Q581 PolarHBondContact O-N 3.34Å; Q581-T584 WeakPolarHBondContact CA-OG1 3.45Å; Q581-T584 PolarHBondContact O-OG1 3.09Å |
| 582 | A | 43 | Very low | 52.3 | Low | 69 Ų | 69 | 100.6 Ų | 100.6 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.9 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K578 E579 T584 A585 | K578-A582 PolarHBondContact O-N 3.44Å; E579-A582 PolarHBondContact O-N 3.12Å; A582-T584 VanDerWaalsContact C-N 3.28Å; A582-T584 PolarHBondContact O-N 3.21Å; A582-A585 PolarHBondContact O-N 2.79Å |
| 583 | D | 43.4 | Very low | 51 | Low | 128 Ų | 128 | 103.7 Ų | 103.7 | 68% | 0.684 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -15.4 | 178.8 | -82.1 | -14.3 | 0 | 0 | 0 | 114.1 | E579 | E579-D583 PolarHBondContact O-N 3.27Š|
| 584 | T | 44.2 | Very low | 50 | Low | 32 Ų | 32 | 107 Ų | 107 | 20% | 0.196 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | -5.2 | 178.7 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | L580 Q581 A582 N586 L592 | L580-T584 VanDerWaalsContact O-CG2 3.29Å; L580-T584 WeakPolarHBondContact O-CG2 3.41Å; L580-T584 PolarHBondContact O-OG1 2.99Å; Q581-T584 WeakPolarHBondContact CA-OG1 3.45Å; Q581-T584 PolarHBondContact O-OG1 3.09Å; A582-T584 VanDerWaalsContact C-N 3.28Å; A582-T584 PolarHBondContact O-N 3.21Å; T584-N586 VanDerWaalsContact C-N 3.31Å; T584-N586 PolarHBondContact O-N 3.11Å; T584-L592 HydrophobicContact CG2-CD2 3.58Å |
| 585 | A | 47 | Very low | 49.7 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A582 | A582-A585 PolarHBondContact O-N 2.79Š|
| 586 | N | 51.9 | Low | 49.8 | Very low | 160 Ų | 160 | 109.3 Ų | 109.3 | 86% | 0.856 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 14.1 | -174.7 | -81.1 | -21.4 | 0 | 0 | 0 | 115.3 | T584 | T584-N586 VanDerWaalsContact C-N 3.31Å; T584-N586 PolarHBondContact O-N 3.11Å |
| 587 | L | 51.6 | Low | 50.6 | Low | 65 Ų | 65 | 108 Ų | 108 | 34% | 0.34 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -112.1 | 142.9 | -177.5 | -79 | 156 | 0 | 0 | 0 | 112.3 | E591 L592 | L587-E591 HydrophobicContact CD2-CB 4Å; L587-L592 HydrophobicContact CB-CD1 4.47Å; L587-L592 HydrophobicContact CB-CG 4.01Å; L587-L592 VanDerWaalsContact O-CD1 3.26Å; L587-L592 WeakPolarHBondContact O-CD1 3.29Å |
| 588 | S | 60.8 | Low | 51.7 | Low | 63 Ų | 63 | 112.8 Ų | 112.8 | 44% | 0.441 | 57% | 0.565 | S | S | . | * | trans | -69.3 | 153.2 | 178.2 | 71 | 0 | 0 | 0 | 0 | 112.4 | K590 E591 L592 | S588-K590 PolarHBondContact O-N 2.88Å; S588-E591 PolarHBondContact N-OE2 2.89Å; S588-E591 PolarHBondContact O-N 2.93Å; S588-E591 PolarHBondContact OG-OE2 3.22Å; S588-L592 PolarHBondContact O-N 3.17Å | ||
| 589 | D | 53.5 | Low | 52.4 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 79% | 0.791 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.3 | -28.9 | -176.7 | -85.3 | -28.6 | 0 | 0 | 0 | 114.6 | K593 | D589-K593 PolarHBondContact O-N 3.37Å |
| 590 | K | 55.8 | Low | 53.5 | Low | 188 Ų | 188 | 112 Ų | 112 | 82% | 0.817 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.8 | -34.3 | 176.5 | -98.6 | -179.6 | 175.9 | 174.8 | 0 | 112.9 | S588 K594 | S588-K590 PolarHBondContact O-N 2.88Å; K590-K594 PolarHBondContact O-N 3.17Å |
| 591 | E | 54.1 | Low | 54.9 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.6 | -39.4 | 179.6 | -70.1 | 166.3 | 145 | 0 | 0 | 111.2 | L587 S588 K593 K594 L595 | L587-E591 HydrophobicContact CD2-CB 4Å; S588-E591 PolarHBondContact N-OE2 2.89Å; S588-E591 PolarHBondContact O-N 2.93Å; S588-E591 PolarHBondContact OG-OE2 3.22Å; E591-K593 VanDerWaalsContact C-N 3.28Å; E591-K593 PolarHBondContact O-N 3.44Å; E591-K594 PolarHBondContact O-N 3.14Å; E591-K594 VanDerWaalsContact O-N 3.16Å; E591-L595 WeakPolarHBondContact O-CB 3.5Å; E591-L595 PolarHBondContact O-N 3.06Å |
| 592 | L | 52.8 | Low | 56 | Low | 27 Ų | 27 | 114.7 Ų | 114.7 | 14% | 0.141 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -55.2 | -41.3 | 171.7 | -87.1 | 159.6 | 0 | 0 | 0 | 112.5 | T584 L587 S588 R596 | T584-L592 HydrophobicContact CG2-CD2 3.58Å; L587-L592 HydrophobicContact CB-CD1 4.47Å; L587-L592 HydrophobicContact CB-CG 4.01Å; L587-L592 VanDerWaalsContact O-CD1 3.26Å; L587-L592 WeakPolarHBondContact O-CD1 3.29Å; S588-L592 PolarHBondContact O-N 3.17Å; L592-R596 WeakPolarHBondContact O-CB 3.27Å; L592-R596 VanDerWaalsContact O-CG 3.25Å; L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.25Å |
| 593 | K | 58.8 | Low | 57.1 | Low | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.6 | -33 | -179.6 | -151.4 | 172.2 | -172.2 | 174.6 | 0 | 112.5 | D589 E591 N597 | D589-K593 PolarHBondContact O-N 3.37Å; E591-K593 VanDerWaalsContact C-N 3.28Å; E591-K593 PolarHBondContact O-N 3.44Å; K593-N597 WeakPolarHBondContact O-CB 3.48Å; K593-N597 PolarHBondContact O-N 3.13Å |
| 594 | K | 62.5 | Low | 58.3 | Low | 171 Ų | 171 | 117.9 Ų | 117.9 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.6 | -40.4 | 178.3 | -147.6 | 175.3 | -179 | -177.6 | 0 | 111.2 | K590 E591 N597 K598 | K590-K594 PolarHBondContact O-N 3.17Å; E591-K594 PolarHBondContact O-N 3.14Å; E591-K594 VanDerWaalsContact O-N 3.16Å; K594-N597 PolarHBondContact O-N 3.05Å; K594-K598 WeakPolarHBondContact O-CB 3.3Å; K594-K598 PolarHBondContact O-N 3.34Å |
| 595 | L | 55 | Low | 59.6 | Low | 73 Ų | 73 | 123.3 Ų | 123.3 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -45.2 | 175.2 | -151.6 | 107.6 | 0 | 0 | 0 | 111.2 | E591 N597 K598 Q599 | E591-L595 WeakPolarHBondContact O-CB 3.5Å; E591-L595 PolarHBondContact O-N 3.06Å; L595-N597 VanDerWaalsContact C-N 3.33Å; L595-N597 PolarHBondContact O-N 3.22Å; L595-K598 PolarHBondContact O-N 3.38Å; L595-Q599 WeakPolarHBondContact O-CB 3.33Å; L595-Q599 PolarHBondContact O-N 2.96Å |
| 596 | R | 56.3 | Low | 60.6 | Low | 160 Ų | 160 | 121.9 Ų | 121.9 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -36.8 | 174.7 | -79 | 178.7 | 176.6 | 176.8 | 1.4 | 113 | L592 R600 | L592-R596 WeakPolarHBondContact O-CB 3.27Å; L592-R596 VanDerWaalsContact O-CG 3.25Å; L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.25Å; R596-R600 VanDerWaalsContact O-CB 3.24Å; R596-R600 WeakPolarHBondContact O-CB 3.32Å; R596-R600 PolarHBondContact O-N 3.49Å |
| 597 | N | 65.2 | Low | 61.4 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.8 | -35.4 | 175.4 | -89.6 | -13.3 | 0 | 0 | 0 | 112.9 | K593 K594 L595 R601 | K593-N597 WeakPolarHBondContact O-CB 3.48Å; K593-N597 PolarHBondContact O-N 3.13Å; K594-N597 PolarHBondContact O-N 3.05Å; L595-N597 VanDerWaalsContact C-N 3.33Å; L595-N597 PolarHBondContact O-N 3.22Å; N597-R601 WeakPolarHBondContact O-CB 3.45Å; N597-R601 WeakPolarHBondContact O-CG 3.48Å; N597-R601 PolarHBondContact O-N 3.02Å; N597-R601 VanDerWaalsContact O-N 3.09Å |
| 598 | K | 65.8 | Low | 62.2 | Low | 165 Ų | 165 | 121 Ų | 121 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70 | -43.9 | 174.5 | -166.8 | 179 | 179.6 | -174.1 | 0 | 111 | K594 L595 R601 A602 | K594-K598 WeakPolarHBondContact O-CB 3.3Å; K594-K598 PolarHBondContact O-N 3.34Å; L595-K598 PolarHBondContact O-N 3.38Å; K598-R601 PolarHBondContact O-N 3.49Å; K598-A602 WeakPolarHBondContact O-CB 3.37Å; K598-A602 PolarHBondContact O-N 3.39Å |
| 599 | Q | 56.8 | Low | 62.5 | Low | 72 Ų | 72 | 123.4 Ų | 123.4 | 34% | 0.336 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -43.4 | 173.4 | -79.6 | 178.6 | -17.4 | 0 | 0 | 111.8 | L595 R601 A602 Q603 | L595-Q599 WeakPolarHBondContact O-CB 3.33Å; L595-Q599 PolarHBondContact O-N 2.96Å; Q599-R601 VanDerWaalsContact C-N 3.28Å; Q599-R601 PolarHBondContact O-N 2.86Å; Q599-A602 PolarHBondContact O-N 3.33Å; Q599-Q603 VanDerWaalsContact O-CB 3.3Å; Q599-Q603 WeakPolarHBondContact O-CB 3.41Å; Q599-Q603 PolarHBondContact O-N 3.4Å |
| 600 | R | 62.9 | Low | 63.2 | Low | 184 Ų | 184 | 121.5 Ų | 121.5 | 69% | 0.694 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.3 | -37.7 | 173.7 | -105.7 | 179.2 | 144.5 | -175.7 | -4.1 | 112.5 | R596 K604 | R596-R600 VanDerWaalsContact O-CB 3.24Å; R596-R600 WeakPolarHBondContact O-CB 3.32Å; R596-R600 PolarHBondContact O-N 3.49Å; R600-K604 VanDerWaalsContact O-CB 3.25Å; R600-K604 WeakPolarHBondContact O-CB 3.29Å; R600-K604 PolarHBondContact O-N 3Å |
| 601 | R | 69.2 | Low | 63.7 | Low | 207 Ų | 207 | 118.5 Ų | 118.5 | 78% | 0.781 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.6 | -40.6 | 175.7 | -79.9 | -179.4 | 173.9 | -174.8 | -1.9 | 111.7 | N597 K598 Q599 K605 | N597-R601 WeakPolarHBondContact O-CB 3.45Å; N597-R601 WeakPolarHBondContact O-CG 3.48Å; N597-R601 PolarHBondContact O-N 3.02Å; N597-R601 VanDerWaalsContact O-N 3.09Å; K598-R601 PolarHBondContact O-N 3.49Å; Q599-R601 VanDerWaalsContact C-N 3.28Å; Q599-R601 PolarHBondContact O-N 2.86Å; R601-K605 VanDerWaalsContact O-CB 3.22Å; R601-K605 WeakPolarHBondContact O-CB 3.41Å; R601-K605 PolarHBondContact O-N 3.04Å |
| 602 | A | 65.6 | Low | 64.4 | Low | 59 Ų | 59 | 120.4 Ų | 120.4 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.8 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K598 Q599 K605 A606 | K598-A602 WeakPolarHBondContact O-CB 3.37Å; K598-A602 PolarHBondContact O-N 3.39Å; Q599-A602 PolarHBondContact O-N 3.33Å; A602-K605 PolarHBondContact O-N 3.15Å; A602-A606 VanDerWaalsContact O-CB 3.27Å; A602-A606 WeakPolarHBondContact O-CB 3.34Å; A602-A606 PolarHBondContact O-N 3.33Å |
| 603 | Q | 65.3 | Low | 65.1 | Low | 116 Ų | 116 | 125.5 Ų | 125.5 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 172.8 | -88.9 | -178.3 | -22.7 | 0 | 0 | 111.9 | Q599 K605 A606 Q607 | Q599-Q603 VanDerWaalsContact O-CB 3.3Å; Q599-Q603 WeakPolarHBondContact O-CB 3.41Å; Q599-Q603 PolarHBondContact O-N 3.4Å; Q603-K605 VanDerWaalsContact C-N 3.27Å; Q603-K605 PolarHBondContact O-N 3.26Å; Q603-A606 PolarHBondContact O-N 3.42Å; Q603-Q607 WeakPolarHBondContact O-CB 3.37Å; Q603-Q607 WeakPolarHBondContact O-CG 3.39Å; Q603-Q607 PolarHBondContact O-N 3.27Å |
| 604 | K | 70 | Confident | 65.4 | Low | 147 Ų | 147 | 122.4 Ų | 122.4 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -38.7 | 173 | -106.6 | -175 | 168.6 | -175.5 | 0 | 111.6 | R600 L608 | R600-K604 VanDerWaalsContact O-CB 3.25Å; R600-K604 WeakPolarHBondContact O-CB 3.29Å; R600-K604 PolarHBondContact O-N 3Å; K604-L608 WeakPolarHBondContact O-CB 3.2Å; K604-L608 VanDerWaalsContact O-CD1 3.31Å; K604-L608 WeakPolarHBondContact O-CD1 3.38Å; K604-L608 WeakPolarHBondContact O-CG 3.26Å; K604-L608 PolarHBondContact O-N 3.44Å |
| 605 | K | 71.6 | Confident | 65.5 | Low | 147 Ų | 147 | 116.5 Ų | 116.5 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -45.2 | 179.7 | -164.9 | -180 | 179.9 | -169.1 | 0 | 110.8 | R601 A602 Q603 L608 E609 | R601-K605 VanDerWaalsContact O-CB 3.22Å; R601-K605 WeakPolarHBondContact O-CB 3.41Å; R601-K605 PolarHBondContact O-N 3.04Å; A602-K605 PolarHBondContact O-N 3.15Å; Q603-K605 VanDerWaalsContact C-N 3.27Å; Q603-K605 PolarHBondContact O-N 3.26Å; K605-L608 PolarHBondContact O-N 2.91Å; K605-E609 WeakPolarHBondContact O-CB 3.33Å; K605-E609 PolarHBondContact O-N 2.82Å |
| 606 | A | 66.5 | Low | 66 | Low | 50 Ų | 50 | 118.9 Ų | 118.9 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A602 Q603 L608 E609 E610 | A602-A606 VanDerWaalsContact O-CB 3.27Å; A602-A606 WeakPolarHBondContact O-CB 3.34Å; A602-A606 PolarHBondContact O-N 3.33Å; Q603-A606 PolarHBondContact O-N 3.42Å; A606-L608 PolarHBondContact O-N 3.01Å; A606-E609 PolarHBondContact O-N 2.97Å; A606-E610 WeakPolarHBondContact O-CB 3.39Å; A606-E610 PolarHBondContact O-N 3.02Å |
| 607 | Q | 68.3 | Low | 66.3 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 172.5 | -80.9 | -178.4 | -25.1 | 0 | 0 | 111.8 | Q603 E609 E610 E611 | Q603-Q607 WeakPolarHBondContact O-CB 3.37Å; Q603-Q607 WeakPolarHBondContact O-CG 3.39Å; Q603-Q607 PolarHBondContact O-N 3.27Å; Q607-E609 VanDerWaalsContact C-N 3.34Å; Q607-E610 PolarHBondContact O-N 3.18Å; Q607-E611 WeakPolarHBondContact O-CA 3.43Å; Q607-E611 WeakPolarHBondContact O-CB 3.32Å; Q607-E611 VanDerWaalsContact O-CG 3.24Å; Q607-E611 WeakPolarHBondContact O-CG 3.19Å; Q607-E611 PolarHBondContact O-N 2.96Å |
| 608 | L | 69.1 | Low | 66 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.9 | -33.5 | 175.2 | -81.7 | 162.2 | 0 | 0 | 0 | 112.3 | K604 K605 A606 K612 | K604-L608 WeakPolarHBondContact O-CB 3.2Å; K604-L608 VanDerWaalsContact O-CD1 3.31Å; K604-L608 WeakPolarHBondContact O-CD1 3.38Å; K604-L608 WeakPolarHBondContact O-CG 3.26Å; K604-L608 PolarHBondContact O-N 3.44Å; K605-L608 PolarHBondContact O-N 2.91Å; A606-L608 PolarHBondContact O-N 3.01Å; L608-K612 WeakPolarHBondContact O-CB 3.4Å; L608-K612 WeakPolarHBondContact O-CG 3.28Å; L608-K612 PolarHBondContact O-N 3.42Å |
| 609 | E | 67.8 | Low | 65.7 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.4 | -38 | 175.6 | -122.8 | 170.4 | 169.2 | 0 | 0 | 111.8 | K605 A606 Q607 K612 K613 | K605-E609 WeakPolarHBondContact O-CB 3.33Å; K605-E609 PolarHBondContact O-N 2.82Å; A606-E609 PolarHBondContact O-N 2.97Å; Q607-E609 VanDerWaalsContact C-N 3.34Å; E609-K612 PolarHBondContact O-N 2.99Å; E609-K613 WeakPolarHBondContact O-CB 3.42Å; E609-K613 WeakPolarHBondContact O-CG 3.5Å; E609-K613 PolarHBondContact O-N 3.36Å |
| 610 | E | 66.9 | Low | 65.8 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.4 | -39.3 | 178.5 | -166.7 | 166.5 | -141.1 | 0 | 0 | 111.4 | A606 Q607 K613 N614 | A606-E610 WeakPolarHBondContact O-CB 3.39Å; A606-E610 PolarHBondContact O-N 3.02Å; Q607-E610 PolarHBondContact O-N 3.18Å; E610-K613 PolarHBondContact O-N 3.33Å; E610-N614 WeakPolarHBondContact O-CB 3.39Å; E610-N614 VanDerWaalsContact O-CG 3.28Å; E610-N614 PolarHBondContact O-N 3.47Å |
| 611 | E | 66.6 | Low | 65.3 | Low | 124 Ų | 124 | 114.2 Ų | 114.2 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.1 | -37.6 | 168.3 | -78.3 | 179.8 | 164.9 | 0 | 0 | 111.2 | Q607 A615 | Q607-E611 WeakPolarHBondContact O-CA 3.43Å; Q607-E611 WeakPolarHBondContact O-CB 3.32Å; Q607-E611 VanDerWaalsContact O-CG 3.24Å; Q607-E611 WeakPolarHBondContact O-CG 3.19Å; Q607-E611 PolarHBondContact O-N 2.96Å; E611-A615 WeakPolarHBondContact O-CA 3.44Å; E611-A615 WeakPolarHBondContact O-CB 3.34Å; E611-A615 PolarHBondContact O-N 2.89Å |
| 612 | K | 69.9 | Low | 64.3 | Low | 145 Ų | 145 | 109.9 Ų | 109.9 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -45.9 | 172.4 | -85.5 | 179.8 | 175.9 | -172.7 | 0 | 111.7 | L608 E609 A615 E616 | L608-K612 WeakPolarHBondContact O-CB 3.4Å; L608-K612 WeakPolarHBondContact O-CG 3.28Å; L608-K612 PolarHBondContact O-N 3.42Å; E609-K612 PolarHBondContact O-N 2.99Å; K612-A615 PolarHBondContact O-N 2.67Å; K612-E616 WeakPolarHBondContact O-CB 3.47Å; K612-E616 WeakPolarHBondContact O-CG 3.43Å; K612-E616 PolarHBondContact O-N 2.9Å |
| 613 | K | 67.1 | Low | 63.4 | Low | 134 Ų | 134 | 112.5 Ų | 112.5 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 176 | -82.6 | 176.8 | 177.4 | 175.1 | 0 | 111.9 | E609 E610 K617 | E609-K613 WeakPolarHBondContact O-CB 3.42Å; E609-K613 WeakPolarHBondContact O-CG 3.5Å; E609-K613 PolarHBondContact O-N 3.36Å; E610-K613 PolarHBondContact O-N 3.33Å; K613-K617 VanDerWaalsContact O-CB 3.3Å; K613-K617 WeakPolarHBondContact O-CB 3.31Å; K613-K617 WeakPolarHBondContact O-CG 3.46Å; K613-K617 PolarHBondContact O-N 3.13Å |
| 614 | N | 65.7 | Low | 62.7 | Low | 91 Ų | 91 | 110.7 Ų | 110.7 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -39 | 176.6 | -77.6 | -15.7 | 0 | 0 | 0 | 111.2 | E610 K617 E618 | E610-N614 WeakPolarHBondContact O-CB 3.39Å; E610-N614 VanDerWaalsContact O-CG 3.28Å; E610-N614 PolarHBondContact O-N 3.47Å; N614-K617 CarbonylContact O-C 3.16Å; N614-K617 PolarHBondContact O-N 2.82Å; N614-E618 VanDerWaalsContact O-CB 3.3Å; N614-E618 WeakPolarHBondContact O-CB 3.09Å; N614-E618 PolarHBondContact O-N 3.4Å |
| 615 | A | 64.3 | Low | 61.7 | Low | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.7 | -33.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E611 K612 K619 | E611-A615 WeakPolarHBondContact O-CA 3.44Å; E611-A615 WeakPolarHBondContact O-CB 3.34Å; E611-A615 PolarHBondContact O-N 2.89Å; K612-A615 PolarHBondContact O-N 2.67Å; A615-K619 VanDerWaalsContact O-CB 3.32Å; A615-K619 WeakPolarHBondContact O-CB 3.44Å; A615-K619 WeakPolarHBondContact O-CG 3.48Å; A615-K619 PolarHBondContact O-N 3.1Å |
| 616 | E | 64.4 | Low | 60.4 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.8 | -43.9 | 170.6 | -83.3 | -179.5 | 159.2 | 0 | 0 | 111.2 | K612 E618 K619 Q620 | K612-E616 WeakPolarHBondContact O-CB 3.47Å; K612-E616 WeakPolarHBondContact O-CG 3.43Å; K612-E616 PolarHBondContact O-N 2.9Å; E616-E618 VanDerWaalsContact C-N 3.35Å; E616-E618 PolarHBondContact O-N 3.15Å; E616-K619 PolarHBondContact O-N 3.47Å; E616-Q620 WeakPolarHBondContact O-CB 3.46Å; E616-Q620 WeakPolarHBondContact O-CG 3.24Å; E616-Q620 PolarHBondContact O-N 2.79Å |
| 617 | K | 63.8 | Low | 59 | Low | 127 Ų | 127 | 116.7 Ų | 116.7 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 170.2 | -82.7 | -178.7 | 173.9 | -178.2 | 0 | 111.5 | K613 N614 K619 Q620 L621 | K613-K617 VanDerWaalsContact O-CB 3.3Å; K613-K617 WeakPolarHBondContact O-CB 3.31Å; K613-K617 WeakPolarHBondContact O-CG 3.46Å; K613-K617 PolarHBondContact O-N 3.13Å; N614-K617 CarbonylContact O-C 3.16Å; N614-K617 PolarHBondContact O-N 2.82Å; K617-K619 PolarHBondContact O-N 3.48Å; K617-Q620 PolarHBondContact O-N 2.9Å; K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 WeakPolarHBondContact O-CD1 3.42Å; K617-L621 VanDerWaalsContact O-CG 3.23Å; K617-L621 WeakPolarHBondContact O-CG 3.27Å; K617-L621 PolarHBondContact O-N 3.12Å |
| 618 | E | 58.9 | Low | 57.7 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.2 | -127.1 | -161.3 | 132.9 | 0 | 0 | 111.9 | N614 E616 K622 | N614-E618 VanDerWaalsContact O-CB 3.3Å; N614-E618 WeakPolarHBondContact O-CB 3.09Å; N614-E618 PolarHBondContact O-N 3.4Å; E616-E618 VanDerWaalsContact C-N 3.35Å; E616-E618 PolarHBondContact O-N 3.15Å; E618-K622 VanDerWaalsContact O-CB 3.27Å; E618-K622 WeakPolarHBondContact O-CB 3.33Å; E618-K622 VanDerWaalsContact O-CG 3.28Å; E618-K622 WeakPolarHBondContact O-CG 3.34Å; E618-K622 PolarHBondContact O-N 2.93Å; E618-K622 IonicContact OE1-NZ 3Å; E618-K622 PolarHBondContact OE1-NZ 3.04Å |
| 619 | K | 60 | Low | 56.2 | Low | 151 Ų | 151 | 119.8 Ų | 119.8 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -41.6 | 173.3 | -87.5 | -178.8 | 174.8 | 178.3 | 0 | 111.8 | A615 E616 K617 K622 N623 | A615-K619 VanDerWaalsContact O-CB 3.32Å; A615-K619 WeakPolarHBondContact O-CB 3.44Å; A615-K619 WeakPolarHBondContact O-CG 3.48Å; A615-K619 PolarHBondContact O-N 3.1Å; E616-K619 PolarHBondContact O-N 3.47Å; K617-K619 PolarHBondContact O-N 3.48Å; K619-K622 PolarHBondContact O-N 3.03Å; K619-N623 WeakPolarHBondContact O-CB 3.2Å; K619-N623 PolarHBondContact O-N 3.26Å |
| 620 | Q | 58.2 | Low | 54.7 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65 | -41.9 | 173.9 | -75.6 | 178.9 | -4.4 | 0 | 0 | 110.9 | E616 K617 N623 Q624 | E616-Q620 WeakPolarHBondContact O-CB 3.46Å; E616-Q620 WeakPolarHBondContact O-CG 3.24Å; E616-Q620 PolarHBondContact O-N 2.79Å; K617-Q620 PolarHBondContact O-N 2.9Å; Q620-N623 PolarHBondContact O-N 2.97Å; Q620-Q624 WeakPolarHBondContact O-CB 3.4Å; Q620-Q624 WeakPolarHBondContact O-CG 3.48Å; Q620-Q624 PolarHBondContact O-N 2.89Å |
| 621 | L | 52.6 | Low | 53.1 | Low | 74 Ų | 74 | 123 Ų | 123 | 39% | 0.387 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -37.7 | 174.3 | -79.8 | 158.1 | 0 | 0 | 0 | 112.6 | K617 Q624 K625 | K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 WeakPolarHBondContact O-CD1 3.42Å; K617-L621 VanDerWaalsContact O-CG 3.23Å; K617-L621 WeakPolarHBondContact O-CG 3.27Å; K617-L621 PolarHBondContact O-N 3.12Å; L621-Q624 PolarHBondContact O-N 3.04Å; L621-K625 WeakPolarHBondContact O-CB 3.36Å; L621-K625 WeakPolarHBondContact O-CG 3.4Å; L621-K625 PolarHBondContact O-N 3.41Å |
| 622 | K | 47.7 | Very low | 51.6 | Low | 116 Ų | 116 | 121.9 Ų | 121.9 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.2 | -37.2 | 173.7 | -81.7 | 171.3 | -176 | 152.3 | 0 | 112 | E618 K619 K626 | E618-K622 VanDerWaalsContact O-CB 3.27Å; E618-K622 WeakPolarHBondContact O-CB 3.33Å; E618-K622 VanDerWaalsContact O-CG 3.28Å; E618-K622 WeakPolarHBondContact O-CG 3.34Å; E618-K622 PolarHBondContact O-N 2.93Å; E618-K622 IonicContact OE1-NZ 3Å; E618-K622 PolarHBondContact OE1-NZ 3.04Å; K619-K622 PolarHBondContact O-N 3.03Å; K622-K626 PolarHBondContact O-N 3.42Å; K622-K626 VanDerWaalsContact O-N 3.11Å |
| 623 | N | 47.8 | Very low | 49.8 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 61% | 0.61 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.7 | -33 | 174.3 | -78.8 | -9 | 0 | 0 | 0 | 112.4 | K619 Q620 K627 | K619-N623 WeakPolarHBondContact O-CB 3.2Å; K619-N623 PolarHBondContact O-N 3.26Å; Q620-N623 PolarHBondContact O-N 2.97Å; N623-K627 PolarHBondContact O-N 3.11Å |
| 624 | Q | 50.5 | Low | 48.3 | Very low | 79 Ų | 79 | 126 Ų | 126 | 37% | 0.369 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.5 | -38 | 172.1 | -79.4 | 179.3 | -4.3 | 0 | 0 | 112.3 | Q620 L621 K626 K627 K628 | Q620-Q624 WeakPolarHBondContact O-CB 3.4Å; Q620-Q624 WeakPolarHBondContact O-CG 3.48Å; Q620-Q624 PolarHBondContact O-N 2.89Å; L621-Q624 PolarHBondContact O-N 3.04Å; Q624-K626 VanDerWaalsContact C-N 3.32Å; Q624-K626 PolarHBondContact O-N 3.46Å; Q624-K627 CarbonylContact O-C 3.36Å; Q624-K627 PolarHBondContact O-N 3.23Å; Q624-K627 VanDerWaalsContact O-N 3.11Å; Q624-K628 WeakPolarHBondContact O-CB 3.46Å; Q624-K628 PolarHBondContact O-N 2.9Å |
| 625 | K | 48.2 | Very low | 46.8 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.3 | -41 | 171.4 | -86.9 | -178.3 | 175.1 | 176.9 | 0 | 111.9 | L621 K627 K628 E629 | L621-K625 WeakPolarHBondContact O-CB 3.36Å; L621-K625 WeakPolarHBondContact O-CG 3.4Å; L621-K625 PolarHBondContact O-N 3.41Å; K625-K627 VanDerWaalsContact C-N 3.29Å; K625-K627 PolarHBondContact O-N 3.43Å; K625-K628 PolarHBondContact O-N 2.79Å; K625-E629 WeakPolarHBondContact O-CG 3.44Å; K625-E629 PolarHBondContact O-N 3.3Å |
| 626 | K | 43.3 | Very low | 45.4 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.2 | -26.9 | 173.3 | -94.4 | -176.7 | 172.2 | -177.8 | 0 | 114.2 | K622 Q624 | K622-K626 PolarHBondContact O-N 3.42Å; K622-K626 VanDerWaalsContact O-N 3.11Å; Q624-K626 VanDerWaalsContact C-N 3.32Å; Q624-K626 PolarHBondContact O-N 3.46Å |
| 627 | K | 38.3 | Very low | 44.1 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 73% | 0.726 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.3 | -34.4 | 174.3 | -90.8 | -175.3 | 169.7 | -174 | 0 | 113 | N623 Q624 K625 D630 | N623-K627 PolarHBondContact O-N 3.11Å; Q624-K627 CarbonylContact O-C 3.36Å; Q624-K627 PolarHBondContact O-N 3.23Å; Q624-K627 VanDerWaalsContact O-N 3.11Å; K625-K627 VanDerWaalsContact C-N 3.29Å; K625-K627 PolarHBondContact O-N 3.43Å; K627-D630 PolarHBondContact O-N 2.98Å |
| 628 | K | 40.1 | Very low | 43 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 47% | 0.47 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.6 | -26.3 | 176.1 | -87.1 | -172.2 | 167.8 | -177.3 | 0 | 113.4 | E481 Q624 K625 D630 D632 | E481-K628 IonicContact OE1-NZ 3.99Å; E481-K628 PolarHBondContact OE1-NZ 3.26Å; Q624-K628 WeakPolarHBondContact O-CB 3.46Å; Q624-K628 PolarHBondContact O-N 2.9Å; K625-K628 PolarHBondContact O-N 2.79Å; K628-D630 PolarHBondContact O-N 3.48Å; K628-D632 PolarHBondContact O-N 2.89Å |
| 629 | E | 38.5 | Very low | 42.9 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.8 | -18.4 | 172.7 | -81.6 | -179.8 | 173.4 | 0 | 0 | 113.6 | K625 | K625-E629 WeakPolarHBondContact O-CG 3.44Å; K625-E629 PolarHBondContact O-N 3.3Å |
| 630 | D | 36.4 | Very low | 43.3 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -98.1 | -19.4 | 179.8 | -83.5 | -25.2 | 0 | 0 | 0 | 114.1 | K627 K628 | K627-D630 PolarHBondContact O-N 2.98Å; K628-D630 PolarHBondContact O-N 3.48Å |
| 631 | D | 33.2 | Very low | 44.5 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -124 | -12.8 | -172 | -81.7 | -29.3 | 0 | 0 | 0 | 117 | ||
| 632 | D | 34 | Very low | 46.3 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | trans | -113.3 | 91.3 | 179.1 | -77.3 | -30.2 | 0 | 0 | 0 | 112.3 | K628 E634 | K628-D632 PolarHBondContact O-N 2.89Å; D632-E634 PolarHBondContact O-N 3.06Å; D632-E634 VanDerWaalsContact O-N 3.12Å | ||
| 633 | E | 33.6 | Very low | 48.4 | Very low | 198 Ų | 198 | 121.4 Ų | 121.4 | 93% | 0.925 | 61% | 0.61 | S | S | * | * | trans | -77.7 | 41.7 | 161.2 | -75.4 | -164.7 | 161.5 | 0 | 0 | 111.6 | ||||
| 634 | E | 35.7 | Very low | 50.6 | Low | 169 Ų | 169 | 117.2 Ų | 117.2 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | trans | -89.7 | 120.2 | 172.8 | -127.1 | 179.5 | -160.3 | 0 | 0 | 110.2 | D632 G636 | D632-E634 PolarHBondContact O-N 3.06Å; D632-E634 VanDerWaalsContact O-N 3.12Å; E634-G636 PolarHBondContact O-N 3.36Å | ||
| 635 | I | 34 | Very low | 52.6 | Low | 124 Ų | 124 | 119.5 Ų | 119.5 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -73.5 | 72.9 | 179.7 | -56.9 | 172.4 | 0 | 0 | 0 | 108.2 | ||||
| 636 | G | 34.9 | Very low | 54.6 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -132.2 | 125.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E634 | E634-G636 PolarHBondContact O-N 3.36Š| ||
| 637 | G | 36.6 | Very low | 57 | Low | 26 Ų | 26 | 113.4 Ų | 113.4 | 27% | 0.268 | 57% | 0.574 | S | S | . | * | trans | -59.8 | 169.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K639 | G637-K639 PolarHBondContact O-N 3.42Š| ||
| 638 | P | 40.9 | Very low | 59.5 | Low | 126 Ų | 126 | 106.5 Ų | 106.5 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | trans | -57.7 | 107 | 171 | 23.9 | -31.2 | 0 | 0 | 0 | 109 | E640 | P638-E640 PolarHBondContact O-N 3.44Š| ||
| 639 | K | 56.8 | Low | 62 | Low | 141 Ų | 141 | 108.1 Ų | 108.1 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124 | 174 | -70.3 | -177.7 | 175 | -177.5 | 0 | 106.8 | E517 G637 E641 | E517-K639 IonicContact OE2-NZ 3.98Å; E517-K639 PolarHBondContact OE2-NZ 3.46Å; G637-K639 PolarHBondContact O-N 3.42Å; K639-E641 PolarHBondContact O-N 3.41Å |
| 640 | E | 68.2 | Low | 64.4 | Low | 165 Ų | 165 | 102.2 Ų | 102.2 | 77% | 0.771 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 128.6 | 176 | -168.8 | 174.2 | -171.8 | 0 | 0 | 108.7 | R513 P638 L642 | R513-E640 VanDerWaalsContact CZ-O 3.26Å; R513-E640 PolarHBondContact NH1-O 2.81Å; R513-E640 PolarHBondContact NH2-O 3.11Å; P638-E640 PolarHBondContact O-N 3.44Å; E640-L642 PolarHBondContact O-N 3.27Å |
| 641 | E | 83.1 | Confident | 66.9 | Low | 144 Ų | 144 | 104.9 Ų | 104.9 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 128 | -173.4 | -170.2 | 174.6 | 178.5 | 0 | 0 | 110.4 | K639 I643 | K639-E641 PolarHBondContact O-N 3.41Å; E641-I643 HydrophobicContact CG-CG1 4.33Å; E641-I643 PolarHBondContact O-N 2.9Å |
| 642 | L | 90.4 | Very high | 69.7 | Low | 25 Ų | 25 | 100.4 Ų | 100.4 | 13% | 0.131 | 52% | 0.516 | C | S | . | . | trans | -80.1 | 106.2 | 176.1 | -66.6 | 172.6 | 0 | 0 | 0 | 109.5 | K506 H509 E510 R513 E640 | K506-L642 HydrophobicContact CG-CB 4.01Å; K506-L642 HydrophobicContact CG-CD1 4.48Å; H509-L642 HydrophobicContact CB-CD1 3.75Å; H509-L642 HydrophobicContact CB-CD2 3.9Å; H509-L642 HydrophobicContact CB-CG 4.48Å; E510-L642 HydrophobicContact CG-CD1 3.87Å; R513-L642 VanDerWaalsContact CZ-CG 3.4Å; R513-L642 VanDerWaalsContact NH2-CD2 3.29Å; E640-L642 PolarHBondContact O-N 3.27Å | ||
| 643 | I | 92.8 | Very high | 72.6 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | trans | -102.2 | 115.4 | -179.6 | -59.2 | 173.4 | 0 | 0 | 0 | 109.1 | E641 E645 K646 L647 | E641-I643 HydrophobicContact CG-CG1 4.33Å; E641-I643 PolarHBondContact O-N 2.9Å; I643-E645 VanDerWaalsContact C-N 3.29Å; I643-E645 HydrophobicContact CG2-CB 4.35Å; I643-E645 PolarHBondContact O-N 3Å; I643-K646 HydrophobicContact CB-CB 4.29Å; I643-K646 HydrophobicContact CB-CD 4.17Å; I643-K646 HydrophobicContact CB-CG 4.09Å; I643-K646 HydrophobicContact CD1-CD 4.01Å; I643-K646 HydrophobicContact CG2-CG 4.12Å; I643-K646 PolarHBondContact O-N 3.28Å; I643-K646 VanDerWaalsContact O-N 3.07Å; I643-L647 WeakPolarHBondContact O-CG 3.24Å; I643-L647 PolarHBondContact O-N 3.08Å | ||
| 644 | P | 93.3 | Very high | 75.5 | Confident | 26 Ų | 26 | 87.5 Ų | 87.5 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -48.6 | -45.5 | -179.1 | -33.2 | 38.6 | 0 | 0 | 0 | 114.4 | G502 E503 K506 K646 L647 V648 | G502-P644 WeakPolarHBondContact CA-O 3.28Å; E503-P644 HydrophobicContact CG-CG 4.46Å; K506-P644 HydrophobicContact CB-CG 4.44Å; K506-P644 HydrophobicContact CD-CG 3.92Å; P644-K646 VanDerWaalsContact C-N 3.34Å; P644-K646 PolarHBondContact O-N 3.43Å; P644-L647 PolarHBondContact O-N 3.06Å; P644-V648 PolarHBondContact O-N 3.38Å |
| 645 | E | 91.5 | Very high | 78.4 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.8 | -36.3 | -178.4 | -65.5 | 176 | -172.7 | 0 | 0 | 113.1 | I643 V648 K649 | I643-E645 VanDerWaalsContact C-N 3.29Å; I643-E645 HydrophobicContact CG2-CB 4.35Å; I643-E645 PolarHBondContact O-N 3Å; E645-V648 WeakPolarHBondContact O-CG2 3.34Å; E645-K649 WeakPolarHBondContact O-CG 3.45Å; E645-K649 PolarHBondContact O-N 3.42Å |
| 646 | K | 92.1 | Very high | 81.3 | Confident | 148 Ų | 148 | 79.6 Ų | 79.6 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -71.9 | -34.9 | 177.4 | -67.2 | -172.4 | -179.7 | 177.4 | 0 | 111.6 | I643 P644 K649 | I643-K646 HydrophobicContact CB-CB 4.29Å; I643-K646 HydrophobicContact CB-CD 4.17Å; I643-K646 HydrophobicContact CB-CG 4.09Å; I643-K646 HydrophobicContact CD1-CD 4.01Å; I643-K646 HydrophobicContact CG2-CG 4.12Å; I643-K646 PolarHBondContact O-N 3.28Å; I643-K646 VanDerWaalsContact O-N 3.07Å; P644-K646 VanDerWaalsContact C-N 3.34Å; P644-K646 PolarHBondContact O-N 3.43Å; K646-K649 PolarHBondContact O-N 2.88Å |
| 647 | L | 92.2 | Very high | 84.3 | Confident | 26 Ų | 26 | 76.9 Ų | 76.9 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | -178.5 | -67.7 | 171.1 | 0 | 0 | 0 | 112.7 | L505 K506 I643 P644 | L505-L647 HydrophobicContact CB-CB 4.17Å; L505-L647 HydrophobicContact CB-CD1 4.24Å; L505-L647 HydrophobicContact CD1-CB 4.23Å; K506-L647 HydrophobicContact CB-CD1 4.04Å; I643-L647 WeakPolarHBondContact O-CG 3.24Å; I643-L647 PolarHBondContact O-N 3.08Å; P644-L647 PolarHBondContact O-N 3.06Å |
| 648 | V | 91.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 77 Ų | 77 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.9 | -26.5 | 176.7 | -69 | 0 | 0 | 0 | 0 | 113.7 | F501 G502 L505 L568 L573 P644 E645 V650 | F501-V648 HydrophobicContact CB-CG1 3.85Å; G502-V648 VanDerWaalsContact CA-CG1 3.42Å; L505-V648 HydrophobicContact CD1-CG1 4.19Å; L568-V648 HydrophobicContact CD1-CB 4.35Å; L568-V648 HydrophobicContact CD1-CG1 4.23Å; L568-V648 HydrophobicContact CD2-CB 4.41Å; L573-V648 HydrophobicContact CD1-CB 3.79Å; L573-V648 HydrophobicContact CD1-CG2 3.79Å; P644-V648 PolarHBondContact O-N 3.38Å; E645-V648 WeakPolarHBondContact O-CG2 3.34Å; V648-V650 VanDerWaalsContact C-N 3.29Å; V648-V650 PolarHBondContact O-N 3.33Å |
| 649 | K | 91.2 | Very high | 89.9 | Confident | 141 Ų | 141 | 76.7 Ų | 76.7 | 61% | 0.613 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 27.3 | 177.6 | -63.6 | -174.1 | -179.3 | -170.2 | 0 | 112.9 | E645 K646 | E645-K649 WeakPolarHBondContact O-CG 3.45Å; E645-K649 PolarHBondContact O-N 3.42Å; K646-K649 PolarHBondContact O-N 2.88Å |
| 650 | V | 90.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | trans | -69 | 135.4 | 177.4 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | Y565 V648 S652 P653 E656 | Y565-V650 HydrophobicContact CD1-CG1 4.46Å; Y565-V650 HydrophobicContact CE1-CG1 4.04Å; V648-V650 VanDerWaalsContact C-N 3.29Å; V648-V650 PolarHBondContact O-N 3.33Å; V650-S652 VanDerWaalsContact C-N 3.26Å; V650-S652 PolarHBondContact O-N 3.08Å; V650-P653 HydrophobicContact CG1-CB 4.3Å; V650-P653 HydrophobicContact CG1-CG 4Å; V650-E656 HydrophobicContact CG1-CG 4.42Å; V650-E656 HydrophobicContact CG2-CG 3.94Å | ||
| 651 | E | 88.1 | Confident | 93.3 | Very high | 199 Ų | 199 | 62.4 Ų | 62.4 | 93% | 0.93 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -63.3 | -31.6 | -177.9 | -65.1 | -178.2 | 174.5 | 0 | 0 | 112.9 | ||
| 652 | S | 91.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -130.7 | 80 | -178.6 | -154.4 | 0 | 0 | 0 | 0 | 112.7 | V650 L654 E655 E656 | V650-S652 VanDerWaalsContact C-N 3.26Å; V650-S652 PolarHBondContact O-N 3.08Å; S652-L654 PolarHBondContact O-N 2.99Å; S652-E655 PolarHBondContact O-N 2.94Å; S652-E655 VanDerWaalsContact O-N 3.15Å; S652-E655 WeakPolarHBondContact OG-CG 3.22Å; S652-E656 PolarHBondContact O-N 3.4Å | ||
| 653 | P | 94.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.8 | -36.7 | 178.8 | -26.2 | 34.7 | 0 | 0 | 0 | 113.2 | Y565 L568 H569 V650 E655 E656 A657 | Y565-P653 WeakPolarHBondContact CB-O 3.35Å; Y565-P653 HydrophobicContact CD1-CB 3.98Å; L568-P653 HydrophobicContact CB-CG 4.49Å; H569-P653 HydrophobicContact CB-CB 4.44Å; V650-P653 HydrophobicContact CG1-CB 4.3Å; V650-P653 HydrophobicContact CG1-CG 4Å; P653-E655 VanDerWaalsContact C-N 3.34Å; P653-E655 PolarHBondContact O-N 3.37Å; P653-E656 PolarHBondContact O-N 3.03Å; P653-A657 PolarHBondContact O-N 3.38Å |
| 654 | L | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -31 | -178.8 | -61.5 | -177.7 | 0 | 0 | 0 | 112.7 | L566 H569 S652 A657 V658 R684 K685 | L566-L654 HydrophobicContact CD2-CD2 4.09Å; H569-L654 HydrophobicContact CB-CD2 4.03Å; H569-L654 HydrophobicContact CB-CG 4.31Å; H569-L654 VanDerWaalsContact CD2-CD1 3.49Å; H569-L654 WeakPolarHBondContact CD2-CD1 3.45Å; S652-L654 PolarHBondContact O-N 2.99Å; L654-A657 PolarHBondContact O-N 3.5Å; L654-V658 VanDerWaalsContact O-CG2 3.28Å; L654-V658 WeakPolarHBondContact O-CG2 3.38Å; L654-V658 PolarHBondContact O-N 3.33Å; L654-R684 HydrophobicContact CD1-CB 3.8Å; L654-R684 HydrophobicContact CD2-CB 4.36Å; L654-K685 HydrophobicContact CB-CD 4.31Å; L654-K685 HydrophobicContact CB-CG 4.28Å; L654-K685 HydrophobicContact CD1-CG 3.61Å |
| 655 | E | 95.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.1 | -38 | 175.3 | -62 | -59.4 | 165.1 | 0 | 0 | 111.4 | S652 P653 A657 V658 K659 K685 | S652-E655 PolarHBondContact O-N 2.94Å; S652-E655 VanDerWaalsContact O-N 3.15Å; S652-E655 WeakPolarHBondContact OG-CG 3.22Å; P653-E655 VanDerWaalsContact C-N 3.34Å; P653-E655 PolarHBondContact O-N 3.37Å; E655-A657 VanDerWaalsContact C-N 3.35Å; E655-V658 PolarHBondContact O-N 3.48Å; E655-K659 PolarHBondContact O-N 3.46Å; E655-K685 IonicContact OE1-NZ 2.97Å; E655-K685 PolarHBondContact OE1-NZ 2.92Å; E655-K685 IonicContact OE2-NZ 3.05Å; E655-K685 PolarHBondContact OE2-NZ 3.28Å |
| 656 | E | 96.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 56 Ų | 56 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 171.6 | -63.4 | -54.5 | 137.1 | 0 | 0 | 111.7 | Y565 V650 S652 P653 V658 K659 F660 | Y565-E656 HydrophobicContact CD1-CB 4.28Å; Y565-E656 HydrophobicContact CD2-CB 4.06Å; Y565-E656 HydrophobicContact CE1-CB 3.84Å; Y565-E656 HydrophobicContact CE1-CG 4.32Å; Y565-E656 HydrophobicContact CE2-CB 3.6Å; Y565-E656 HydrophobicContact CG-CB 4.39Å; Y565-E656 VanDerWaalsContact CZ-CB 3.47Å; V650-E656 HydrophobicContact CG1-CG 4.42Å; V650-E656 HydrophobicContact CG2-CG 3.94Å; S652-E656 PolarHBondContact O-N 3.4Å; P653-E656 PolarHBondContact O-N 3.03Å; E656-V658 VanDerWaalsContact C-N 3.29Å; E656-V658 PolarHBondContact O-N 2.95Å; E656-K659 WeakPolarHBondContact O-CB 3.21Å; E656-K659 PolarHBondContact O-N 3Å; E656-K659 VanDerWaalsContact O-N 3.14Å; E656-K659 IonicContact OE1-NZ 2.67Å; E656-K659 PolarHBondContact OE1-NZ 3.32Å; E656-K659 WeakPolarHBondContact OE2-CD 3.39Å; E656-K659 IonicContact OE2-NZ 3.71Å; E656-K659 PolarHBondContact OE2-NZ 3.46Å; E656-F660 PolarHBondContact O-N 2.9Å |
| 657 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I562 Y565 P653 L654 E655 K659 F660 L661 I681 | I562-A657 HydrophobicContact CG1-CB 4.44Å; I562-A657 HydrophobicContact CG2-CB 4.47Å; Y565-A657 HydrophobicContact CD2-CB 4.23Å; Y565-A657 HydrophobicContact CG-CB 4.38Å; P653-A657 PolarHBondContact O-N 3.38Å; L654-A657 PolarHBondContact O-N 3.5Å; E655-A657 VanDerWaalsContact C-N 3.35Å; A657-K659 VanDerWaalsContact C-N 3.31Å; A657-K659 PolarHBondContact O-N 3.24Å; A657-F660 PolarHBondContact O-N 2.9Å; A657-L661 WeakPolarHBondContact O-CB 3.4Å; A657-L661 PolarHBondContact O-N 3.42Å; A657-I681 HydrophobicContact CB-CD1 3.88Å; A657-I681 HydrophobicContact CB-CG1 4.25Å |
| 658 | V | 97.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 176.4 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | L654 E655 E656 F660 L661 T662 I681 | L654-V658 VanDerWaalsContact O-CG2 3.28Å; L654-V658 WeakPolarHBondContact O-CG2 3.38Å; L654-V658 PolarHBondContact O-N 3.33Å; E655-V658 PolarHBondContact O-N 3.48Å; E656-V658 VanDerWaalsContact C-N 3.29Å; E656-V658 PolarHBondContact O-N 2.95Å; V658-F660 PolarHBondContact O-N 3.35Å; V658-L661 PolarHBondContact O-N 3.47Å; V658-T662 WeakPolarHBondContact O-CB 3.49Å; V658-T662 PolarHBondContact O-N 2.86Å; V658-T662 PolarHBondContact O-OG1 2.64Å; V658-I681 HydrophobicContact CG2-CG2 3.83Å |
| 659 | K | 97.1 | Very high | 95.3 | Very high | 121 Ų | 121 | 54.9 Ų | 54.9 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.9 | -64.9 | 177 | -169.7 | 166.5 | 0 | 111.6 | E655 E656 A657 P663 | E655-K659 PolarHBondContact O-N 3.46Å; E656-K659 WeakPolarHBondContact O-CB 3.21Å; E656-K659 PolarHBondContact O-N 3Å; E656-K659 VanDerWaalsContact O-N 3.14Å; E656-K659 IonicContact OE1-NZ 2.67Å; E656-K659 PolarHBondContact OE1-NZ 3.32Å; E656-K659 WeakPolarHBondContact OE2-CD 3.39Å; E656-K659 IonicContact OE2-NZ 3.71Å; E656-K659 PolarHBondContact OE2-NZ 3.46Å; A657-K659 VanDerWaalsContact C-N 3.31Å; A657-K659 PolarHBondContact O-N 3.24Å; K659-P663 WeakPolarHBondContact O-CD 3.42Å |
| 660 | F | 98.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.1 | -33.3 | 175.1 | -76.9 | -80 | 0 | 0 | 0 | 113.3 | C508 H509 E512 Y554 A558 A561 I562 Y565 E656 A657 V658 T662 | C508-F660 HydrophobicContact CB-CZ 4.42Å; H509-F660 AromaticContact CE1-CE2 3.7Å; H509-F660 AromaticContact CE1-CZ 3.92Å; H509-F660 AromaticContact ND1-CZ 3.99Å; H509-F660 AromaticContact NE2-CE2 3.78Å; E512-F660 HydrophobicContact CB-CE1 4.09Å; Y554-F660 PolarHBondContact OH-O 3.4Å; Y554-F660 VanDerWaalsContact OH-O 3.11Å; A558-F660 HydrophobicContact CB-CB 4.03Å; A558-F660 HydrophobicContact CB-CD1 4.01Å; A558-F660 HydrophobicContact CB-CG 4.48Å; A561-F660 HydrophobicContact CB-CD1 4.28Å; A561-F660 HydrophobicContact CB-CD2 3.89Å; A561-F660 HydrophobicContact CB-CE1 4.33Å; A561-F660 HydrophobicContact CB-CE2 3.95Å; A561-F660 HydrophobicContact CB-CG 4.06Å; A561-F660 HydrophobicContact CB-CZ 4.17Å; I562-F660 HydrophobicContact CD1-CB 4.24Å; I562-F660 HydrophobicContact CG1-CB 3.99Å; Y565-F660 HydrophobicContact CE2-CD2 4.23Å; Y565-F660 HydrophobicContact CE2-CE2 4.16Å; E656-F660 PolarHBondContact O-N 2.9Å; A657-F660 PolarHBondContact O-N 2.9Å; V658-F660 PolarHBondContact O-N 3.35Å; F660-T662 VanDerWaalsContact C-N 3.34Å |
| 661 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -32.4 | 178.5 | 179 | 68.2 | 0 | 0 | 0 | 112.4 | I562 A657 V658 L664 K665 L677 A678 I681 | I562-L661 HydrophobicContact CD1-CB 3.98Å; I562-L661 HydrophobicContact CD1-CD1 4.28Å; A657-L661 WeakPolarHBondContact O-CB 3.4Å; A657-L661 PolarHBondContact O-N 3.42Å; V658-L661 PolarHBondContact O-N 3.47Å; L661-L664 WeakPolarHBondContact O-CB 3.41Å; L661-L664 PolarHBondContact O-N 3.25Å; L661-L664 VanDerWaalsContact O-N 3.14Å; L661-K665 HydrophobicContact CD1-CD 4.43Å; L661-K665 HydrophobicContact CD1-CG 4.12Å; L661-K665 HydrophobicContact CD2-CD 3.82Å; L661-K665 HydrophobicContact CD2-CG 4.42Å; L661-K665 HydrophobicContact CG-CD 3.8Å; L661-K665 HydrophobicContact CG-CG 3.93Å; L661-K665 PolarHBondContact O-N 3.03Å; L661-L677 HydrophobicContact CD1-CB 4.38Å; L661-A678 HydrophobicContact CD1-CB 4.08Å; L661-A678 HydrophobicContact CD2-CB 3.75Å; L661-A678 HydrophobicContact CG-CB 4.45Å; L661-I681 HydrophobicContact CB-CD1 4.16Å; L661-I681 HydrophobicContact CD2-CD1 3.7Å; L661-I681 HydrophobicContact CG-CD1 4.38Å |
| 662 | T | 97.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -49.4 | -169.5 | -67 | 0 | 0 | 0 | 0 | 112.4 | V658 F660 L664 K665 H666 | V658-T662 WeakPolarHBondContact O-CB 3.49Å; V658-T662 PolarHBondContact O-N 2.86Å; V658-T662 PolarHBondContact O-OG1 2.64Å; F660-T662 VanDerWaalsContact C-N 3.34Å; T662-L664 VanDerWaalsContact C-N 3.32Å; T662-L664 PolarHBondContact O-N 3.45Å; T662-K665 PolarHBondContact O-N 3.2Å; T662-H666 PolarHBondContact O-N 3.23Å; T662-H666 PolarHBondContact O-ND1 3.36Å |
| 663 | P | 97.5 | Very high | 96.4 | Very high | 26 Ų | 26 | 47 Ų | 47 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | 175.7 | -26.9 | 39.2 | 0 | 0 | 0 | 113 | R549 Y554 K659 K665 H666 L667 | R549-P663 HydrophobicContact CB-CB 4.01Å; Y554-P663 HydrophobicContact CE1-CB 3.69Å; Y554-P663 HydrophobicContact CE1-CG 4.21Å; Y554-P663 WeakPolarHBondContact OH-CD 3.49Å; Y554-P663 WeakPolarHBondContact OH-CG 3.43Å; K659-P663 WeakPolarHBondContact O-CD 3.42Å; P663-K665 PolarHBondContact O-N 3.44Å; P663-H666 PolarHBondContact O-N 2.96Å; P663-L667 WeakPolarHBondContact O-CB 3.44Å; P663-L667 PolarHBondContact O-N 2.87Å |
| 664 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 175.8 | -57.4 | -173.8 | 0 | 0 | 0 | 111.8 | Y554 Y555 A558 T559 I562 L661 T662 H666 V668 T674 | Y554-L664 HydrophobicContact CD1-CD2 3.71Å; Y554-L664 HydrophobicContact CE1-CD2 3.65Å; Y554-L664 HydrophobicContact CE1-CG 4.09Å; Y555-L664 HydrophobicContact CD2-CD1 4.4Å; Y555-L664 HydrophobicContact CD2-CD2 3.98Å; A558-L664 HydrophobicContact CB-CD1 3.88Å; A558-L664 HydrophobicContact CB-CD2 4.39Å; A558-L664 HydrophobicContact CB-CG 4.23Å; T559-L664 HydrophobicContact CG2-CD1 4.46Å; I562-L664 HydrophobicContact CD1-CD1 4.31Å; L661-L664 WeakPolarHBondContact O-CB 3.41Å; L661-L664 PolarHBondContact O-N 3.25Å; L661-L664 VanDerWaalsContact O-N 3.14Å; T662-L664 VanDerWaalsContact C-N 3.32Å; T662-L664 PolarHBondContact O-N 3.45Å; L664-H666 PolarHBondContact O-N 3.44Å; L664-V668 HydrophobicContact CD2-CB 4.43Å; L664-V668 HydrophobicContact CD2-CG2 4.02Å; L664-V668 CarbonylContact O-C 3.48Å; L664-V668 VanDerWaalsContact O-C 3.28Å; L664-V668 VanDerWaalsContact O-CA 3.32Å; L664-V668 WeakPolarHBondContact O-CA 3.48Å; L664-V668 PolarHBondContact O-N 2.72Å; L664-T674 HydrophobicContact CB-CG2 3.82Å |
| 665 | K | 95.1 | Very high | 96.6 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -29.2 | 178.2 | -76.4 | 178.7 | 68 | -171.5 | 0 | 113.7 | L661 T662 P663 K669 T674 A678 Y682 | L661-K665 HydrophobicContact CD1-CD 4.43Å; L661-K665 HydrophobicContact CD1-CG 4.12Å; L661-K665 HydrophobicContact CD2-CD 3.82Å; L661-K665 HydrophobicContact CD2-CG 4.42Å; L661-K665 HydrophobicContact CG-CD 3.8Å; L661-K665 HydrophobicContact CG-CG 3.93Å; L661-K665 PolarHBondContact O-N 3.03Å; T662-K665 PolarHBondContact O-N 3.2Å; P663-K665 PolarHBondContact O-N 3.44Å; K665-K669 VanDerWaalsContact O-CE 3.3Å; K665-K669 WeakPolarHBondContact O-CE 3.49Å; K665-K669 VanDerWaalsContact O-CG 3.27Å; K665-K669 WeakPolarHBondContact O-CG 3.06Å; K665-T674 HydrophobicContact CG-CG2 4.27Å; K665-A678 HydrophobicContact CD-CB 4.43Å; K665-Y682 PolarHBondContact NZ-OH 3.26Å |
| 666 | H | 94.7 | Very high | 96.8 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -86.8 | -42.2 | -179 | -69.4 | 96.7 | 0 | 0 | 0 | 111.9 | T662 P663 L664 K669 | T662-H666 PolarHBondContact O-N 3.23Å; T662-H666 PolarHBondContact O-ND1 3.36Å; P663-H666 PolarHBondContact O-N 2.96Å; L664-H666 PolarHBondContact O-N 3.44Å; H666-K669 WeakPolarHBondContact O-CE 3.28Å; H666-K669 PolarHBondContact O-NZ 3.22Å |
| 667 | L | 96.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -105.8 | -29.2 | -168.3 | -56.4 | 178.3 | 0 | 0 | 0 | 114.1 | V547 R549 M550 P663 | V547-L667 HydrophobicContact CB-CD2 4.45Å; V547-L667 HydrophobicContact CG1-CD2 4.22Å; R549-L667 HydrophobicContact CB-CD1 3.82Å; M550-L667 HydrophobicContact CB-CB 4.46Å; P663-L667 WeakPolarHBondContact O-CB 3.44Å; P663-L667 PolarHBondContact O-N 2.87Å |
| 668 | V | 96.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | trans | -118.8 | 58.2 | -172.3 | -165.3 | 0 | 0 | 0 | 0 | 110 | M550 Y555 L664 K671 T674 | M550-V668 HydrophobicContact CG-CG2 4.4Å; Y555-V668 HydrophobicContact CD2-CG1 4.21Å; Y555-V668 HydrophobicContact CE2-CG1 4.44Å; L664-V668 HydrophobicContact CD2-CB 4.43Å; L664-V668 HydrophobicContact CD2-CG2 4.02Å; L664-V668 CarbonylContact O-C 3.48Å; L664-V668 VanDerWaalsContact O-C 3.28Å; L664-V668 VanDerWaalsContact O-CA 3.32Å; L664-V668 WeakPolarHBondContact O-CA 3.48Å; L664-V668 PolarHBondContact O-N 2.72Å; V668-K671 HydrophobicContact CG1-CB 3.99Å; V668-K671 HydrophobicContact CG1-CD 3.71Å; V668-K671 HydrophobicContact CG1-CG 3.72Å; V668-T674 WeakPolarHBondContact O-CB 3.39Å; V668-T674 PolarHBondContact O-OG1 3.26Å | ||
| 669 | K | 95.2 | Very high | 96.9 | Very high | 121 Ų | 121 | 38.8 Ų | 38.8 | 53% | 0.526 | 19% | 0.187 | S | C | . | . | trans | -80.4 | -19.7 | -175.5 | -67.4 | 169.2 | -179.9 | 147.9 | 0 | 113.3 | K665 H666 H675 I701 | K665-K669 VanDerWaalsContact O-CE 3.3Å; K665-K669 WeakPolarHBondContact O-CE 3.49Å; K665-K669 VanDerWaalsContact O-CG 3.27Å; K665-K669 WeakPolarHBondContact O-CG 3.06Å; H666-K669 WeakPolarHBondContact O-CE 3.28Å; H666-K669 PolarHBondContact O-NZ 3.22Å; K669-H675 PolarHBondContact O-NE2 3.36Å; K669-I701 WeakPolarHBondContact O-CD1 3.09Å | ||
| 670 | D | 94.5 | Very high | 97 | Very high | 115 Ų | 115 | 33.9 Ų | 33.9 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -76.6 | -21.9 | -179.4 | 60.5 | -45.7 | 0 | 0 | 0 | 113 | ||
| 671 | K | 95.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | trans | -86.8 | 125.7 | 176.1 | -65.2 | -167 | -179.6 | 178.8 | 0 | 112.1 | Y555 V668 E673 T674 | Y555-K671 HydrophobicContact CD2-CD 4.08Å; Y555-K671 HydrophobicContact CE1-CD 4.19Å; Y555-K671 HydrophobicContact CE2-CB 4.45Å; Y555-K671 HydrophobicContact CE2-CD 3.55Å; V668-K671 HydrophobicContact CG1-CB 3.99Å; V668-K671 HydrophobicContact CG1-CD 3.71Å; V668-K671 HydrophobicContact CG1-CG 3.72Å; K671-E673 VanDerWaalsContact C-N 3.27Å; K671-E673 PolarHBondContact O-N 3.04Å; K671-T674 WeakPolarHBondContact O-CB 3.38Å; K671-T674 PolarHBondContact O-N 3.39Å | ||
| 672 | I | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.062 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | -179.1 | -167.8 | 164.2 | 0 | 0 | 0 | 111.8 | T674 H675 L676 A698 I701 D702 H705 L708 | I672-T674 PolarHBondContact O-N 3.33Å; I672-H675 PolarHBondContact O-N 3.47Å; I672-L676 HydrophobicContact CD1-CD1 4.48Å; I672-L676 HydrophobicContact CG1-CD1 3.92Å; I672-L676 HydrophobicContact CG1-CG 4.09Å; I672-L676 HydrophobicContact CG2-CD1 4.41Å; I672-L676 WeakPolarHBondContact O-CG 3.47Å; I672-L676 PolarHBondContact O-N 2.88Å; I672-A698 HydrophobicContact CD1-CB 4.22Å; I672-A698 HydrophobicContact CG1-CB 3.86Å; I672-I701 HydrophobicContact CB-CB 4.46Å; I672-I701 HydrophobicContact CB-CD1 4.41Å; I672-I701 HydrophobicContact CB-CG2 4.09Å; I672-D702 HydrophobicContact CD1-CB 3.92Å; I672-H705 HydrophobicContact CD1-CB 3.53Å; I672-L708 HydrophobicContact CD1-CB 4.41Å; I672-L708 HydrophobicContact CD1-CD2 4.33Å |
| 673 | E | 96.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.3 | -29.8 | -178.1 | -57.2 | 90.2 | 152.9 | 0 | 0 | 112.6 | Y555 K671 H675 L676 L677 W707 | Y555-E673 WeakPolarHBondContact OH-CB 3.48Å; Y555-E673 PolarHBondContact OH-OE2 3.03Å; K671-E673 VanDerWaalsContact C-N 3.27Å; K671-E673 PolarHBondContact O-N 3.04Å; E673-H675 VanDerWaalsContact C-N 3.28Å; E673-H675 PolarHBondContact O-N 2.89Å; E673-L676 PolarHBondContact O-N 3.48Å; E673-L677 WeakPolarHBondContact O-CB 3.44Å; E673-L677 VanDerWaalsContact O-CG 3.26Å; E673-L677 WeakPolarHBondContact O-CG 3.32Å; E673-L677 PolarHBondContact O-N 3.11Å; E673-W707 HydrophobicContact CB-CZ3 4.22Å; E673-W707 HydrophobicContact CG-CZ3 4.18Å |
| 674 | T | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.4 | -46.9 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | L664 K665 V668 K671 I672 A678 | L664-T674 HydrophobicContact CB-CG2 3.82Å; K665-T674 HydrophobicContact CG-CG2 4.27Å; V668-T674 WeakPolarHBondContact O-CB 3.39Å; V668-T674 PolarHBondContact O-OG1 3.26Å; K671-T674 WeakPolarHBondContact O-CB 3.38Å; K671-T674 PolarHBondContact O-N 3.39Å; I672-T674 PolarHBondContact O-N 3.33Å; T674-A678 WeakPolarHBondContact O-CB 3.49Å; T674-A678 PolarHBondContact O-N 2.91Å; T674-A678 VanDerWaalsContact O-N 3.1Å |
| 675 | H | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.3 | -32 | -178.1 | -53.3 | -67.3 | 0 | 0 | 0 | 111.8 | K669 I672 E673 A678 F679 S694 R697 A698 | K669-H675 PolarHBondContact O-NE2 3.36Å; I672-H675 PolarHBondContact O-N 3.47Å; E673-H675 VanDerWaalsContact C-N 3.28Å; E673-H675 PolarHBondContact O-N 2.89Å; H675-A678 WeakPolarHBondContact O-CB 3.48Å; H675-A678 PolarHBondContact O-N 2.89Å; H675-F679 PolarHBondContact O-N 3.45Å; H675-S694 WeakPolarHBondContact O-CB 3.47Å; H675-R697 HydrophobicContact CB-CB 4.39Å; H675-R697 WeakPolarHBondContact ND1-CB 3.49Å; H675-A698 HydrophobicContact CB-CB 4.09Å |
| 676 | L | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 175.2 | -61 | 175.1 | 0 | 0 | 0 | 111.8 | I672 E673 A678 F679 E680 A698 W707 L708 C711 | I672-L676 HydrophobicContact CD1-CD1 4.48Å; I672-L676 HydrophobicContact CG1-CD1 3.92Å; I672-L676 HydrophobicContact CG1-CG 4.09Å; I672-L676 HydrophobicContact CG2-CD1 4.41Å; I672-L676 WeakPolarHBondContact O-CG 3.47Å; I672-L676 PolarHBondContact O-N 2.88Å; E673-L676 PolarHBondContact O-N 3.48Å; L676-A678 VanDerWaalsContact C-N 3.31Å; L676-A678 PolarHBondContact O-N 3.23Å; L676-F679 WeakPolarHBondContact O-CB 3.4Å; L676-F679 PolarHBondContact O-N 3.2Å; L676-F679 VanDerWaalsContact O-N 3.13Å; L676-E680 WeakPolarHBondContact O-CG 3.22Å; L676-E680 PolarHBondContact O-N 3.31Å; L676-A698 HydrophobicContact CD2-CB 4.17Å; L676-W707 HydrophobicContact CB-CD2 3.83Å; L676-W707 HydrophobicContact CB-CE3 3.85Å; L676-W707 HydrophobicContact CB-CH2 3.97Å; L676-W707 HydrophobicContact CB-CZ2 3.95Å; L676-W707 HydrophobicContact CB-CZ3 3.92Å; L676-W707 HydrophobicContact CD1-CB 3.85Å; L676-W707 HydrophobicContact CD1-CD2 3.59Å; L676-W707 HydrophobicContact CD1-CE3 3.42Å; L676-W707 VanDerWaalsContact CD1-CE3 3.42Å; L676-W707 HydrophobicContact CD1-CG 3.8Å; L676-W707 HydrophobicContact CD1-CZ3 4.16Å; L676-W707 HydrophobicContact CG-CD2 4.26Å; L676-W707 HydrophobicContact CG-CE3 4.27Å; L676-L708 HydrophobicContact CD2-CB 3.94Å; L676-L708 HydrophobicContact CD2-CD1 3.95Å; L676-C711 HydrophobicContact CD2-CB 4.5Å |
| 677 | L | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 171.7 | -71.2 | 170.5 | 0 | 0 | 0 | 111.7 | T559 I562 Q563 L566 L661 E673 F679 E680 I681 W707 | T559-L677 HydrophobicContact CG2-CD1 3.68Å; I562-L677 HydrophobicContact CD1-CD1 4.28Å; I562-L677 HydrophobicContact CG2-CB 4.27Å; I562-L677 HydrophobicContact CG2-CD2 3.86Å; I562-L677 HydrophobicContact CG2-CG 4.48Å; Q563-L677 HydrophobicContact CG-CD2 4.25Å; L566-L677 HydrophobicContact CD1-CD2 4.44Å; L661-L677 HydrophobicContact CD1-CB 4.38Å; E673-L677 WeakPolarHBondContact O-CB 3.44Å; E673-L677 VanDerWaalsContact O-CG 3.26Å; E673-L677 WeakPolarHBondContact O-CG 3.32Å; E673-L677 PolarHBondContact O-N 3.11Å; L677-F679 VanDerWaalsContact C-N 3.31Å; L677-F679 PolarHBondContact O-N 2.9Å; L677-E680 PolarHBondContact O-N 2.78Å; L677-I681 WeakPolarHBondContact O-CG1 3.5Å; L677-I681 PolarHBondContact O-N 3.32Å; L677-I681 VanDerWaalsContact O-N 3.09Å; L677-W707 HydrophobicContact CD2-CH2 3.75Å; L677-W707 HydrophobicContact CD2-CZ2 4.34Å; L677-W707 HydrophobicContact CG-CH2 3.91Å |
| 678 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L661 K665 T674 H675 L676 I681 Y682 S694 | L661-A678 HydrophobicContact CD1-CB 4.08Å; L661-A678 HydrophobicContact CD2-CB 3.75Å; L661-A678 HydrophobicContact CG-CB 4.45Å; K665-A678 HydrophobicContact CD-CB 4.43Å; T674-A678 WeakPolarHBondContact O-CB 3.49Å; T674-A678 PolarHBondContact O-N 2.91Å; T674-A678 VanDerWaalsContact O-N 3.1Å; H675-A678 WeakPolarHBondContact O-CB 3.48Å; H675-A678 PolarHBondContact O-N 2.89Å; L676-A678 VanDerWaalsContact C-N 3.31Å; L676-A678 PolarHBondContact O-N 3.23Å; A678-I681 PolarHBondContact O-N 3.27Å; A678-Y682 HydrophobicContact CB-CD2 4.31Å; A678-Y682 HydrophobicContact CB-CE2 4.02Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 WeakPolarHBondContact O-CD2 3.11Å; A678-Y682 VanDerWaalsContact O-CG 3.28Å; A678-Y682 PolarHBondContact O-N 3.22Å; A678-S694 WeakPolarHBondContact CB-OG 3.45Å |
| 679 | F | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 174.1 | 177.6 | -88.6 | 0 | 0 | 0 | 111.4 | H675 L676 L677 I681 Y682 F683 M691 V695 C711 F715 | H675-F679 PolarHBondContact O-N 3.45Å; L676-F679 WeakPolarHBondContact O-CB 3.4Å; L676-F679 PolarHBondContact O-N 3.2Å; L676-F679 VanDerWaalsContact O-N 3.13Å; L677-F679 VanDerWaalsContact C-N 3.31Å; L677-F679 PolarHBondContact O-N 2.9Å; F679-I681 VanDerWaalsContact C-N 3.29Å; F679-I681 PolarHBondContact O-N 3.44Å; F679-Y682 PolarHBondContact O-N 3.37Å; F679-F683 HydrophobicContact CD1-CB 4.44Å; F679-F683 HydrophobicContact CE1-CB 4.15Å; F679-F683 HydrophobicContact CE1-CD2 4.23Å; F679-F683 HydrophobicContact CE1-CG 4.33Å; F679-F683 HydrophobicContact CZ-CB 4.49Å; F679-F683 HydrophobicContact CZ-CD2 4.09Å; F679-F683 WeakPolarHBondContact O-CB 3.3Å; F679-F683 PolarHBondContact O-N 3.41Å; F679-M691 HydrophobicContact CD2-CB 3.91Å; F679-M691 HydrophobicContact CD2-CG 4.15Å; F679-M691 HydrophobicContact CE2-CB 3.83Å; F679-M691 HydrophobicContact CE2-CG 4.07Å; F679-M691 HydrophobicContact CE2-SD 4.04Å; F679-M691 HydrophobicContact CZ-SD 4.31Å; F679-V695 HydrophobicContact CD2-CG2 3.51Å; F679-V695 HydrophobicContact CE2-CG2 3.7Å; F679-V695 HydrophobicContact CG-CG2 4.41Å; F679-C711 HydrophobicContact CD1-CB 3.57Å; F679-C711 WeakPolarHBondContact CD1-SG 3.47Å; F679-C711 HydrophobicContact CD2-CB 4.26Å; F679-C711 HydrophobicContact CE1-CB 3.56Å; F679-C711 HydrophobicContact CE2-CB 4.24Å; F679-C711 HydrophobicContact CG-CB 3.93Å; F679-C711 HydrophobicContact CZ-CB 3.9Å; F679-C711 WeakPolarHBondContact CZ-O 3.47Å; F679-F715 HydrophobicContact CE2-CB 3.87Å; F679-F715 HydrophobicContact CE2-CD2 4.21Å; F679-F715 HydrophobicContact CE2-CG 4.37Å; F679-F715 HydrophobicContact CZ-CB 3.99Å |
| 680 | E | 97.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -39.8 | -179.9 | -67.6 | -61.3 | 168.7 | 0 | 0 | 113 | L566 L676 L677 R684 W707 R714 | L566-E680 HydrophobicContact CD1-CB 3.74Å; L566-E680 HydrophobicContact CD1-CG 4.4Å; L566-E680 HydrophobicContact CD2-CB 4.13Å; L676-E680 WeakPolarHBondContact O-CG 3.22Å; L676-E680 PolarHBondContact O-N 3.31Å; L677-E680 PolarHBondContact O-N 2.78Å; E680-R684 PolarHBondContact O-N 3.05Å; E680-R684 PolarHBondContact O-NH1 3.29Å; E680-R684 IonicContact OE2-CZ 3.9Å; E680-R684 IonicContact OE2-NH1 2.87Å; E680-R684 PolarHBondContact OE2-NH1 3.02Å; E680-R684 IonicContact OE2-NH2 3.49Å; E680-W707 HydrophobicContact CG-CZ2 3.9Å; E680-W707 PolarHBondContact OE1-NE1 3.42Å; E680-R714 IonicContact OE1-CZ 2.84Å; E680-R714 IonicContact OE1-NH1 2.83Å; E680-R714 PolarHBondContact OE1-NH1 3.08Å; E680-R714 IonicContact OE1-NH2 3.21Å; E680-R714 PolarHBondContact OE1-NH2 2.59Å; E680-R714 IonicContact OE2-CZ 3.17Å; E680-R714 IonicContact OE2-NH1 3.86Å; E680-R714 PolarHBondContact OE2-NH1 2.98Å; E680-R714 IonicContact OE2-NH2 2.67Å |
| 681 | I | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -50.2 | 175.5 | -69.3 | 162.7 | 0 | 0 | 0 | 110.2 | I562 L566 A657 V658 L661 L677 A678 F679 F683 R684 K685 | I562-I681 HydrophobicContact CG2-CD1 3.77Å; I562-I681 HydrophobicContact CG2-CG1 4.3Å; L566-I681 HydrophobicContact CD2-CG1 3.93Å; A657-I681 HydrophobicContact CB-CD1 3.88Å; A657-I681 HydrophobicContact CB-CG1 4.25Å; V658-I681 HydrophobicContact CG2-CG2 3.83Å; L661-I681 HydrophobicContact CB-CD1 4.16Å; L661-I681 HydrophobicContact CD2-CD1 3.7Å; L661-I681 HydrophobicContact CG-CD1 4.38Å; L677-I681 WeakPolarHBondContact O-CG1 3.5Å; L677-I681 PolarHBondContact O-N 3.32Å; L677-I681 VanDerWaalsContact O-N 3.09Å; A678-I681 PolarHBondContact O-N 3.27Å; F679-I681 VanDerWaalsContact C-N 3.29Å; F679-I681 PolarHBondContact O-N 3.44Å; I681-F683 VanDerWaalsContact C-N 3.3Å; I681-F683 PolarHBondContact O-N 2.94Å; I681-R684 PolarHBondContact O-N 3.44Å; I681-K685 HydrophobicContact CG2-CD 4.04Å; I681-K685 HydrophobicContact CG2-CG 4.46Å; I681-K685 WeakPolarHBondContact O-CG 3.41Å; I681-K685 PolarHBondContact O-N 2.98Å |
| 682 | Y | 96.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.3 | -24.9 | -176.7 | -63.6 | -41.5 | 0 | 0 | 0 | 113.8 | K665 A678 F679 E686 K687 L690 | K665-Y682 PolarHBondContact NZ-OH 3.26Å; A678-Y682 HydrophobicContact CB-CD2 4.31Å; A678-Y682 HydrophobicContact CB-CE2 4.02Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 WeakPolarHBondContact O-CD2 3.11Å; A678-Y682 VanDerWaalsContact O-CG 3.28Å; A678-Y682 PolarHBondContact O-N 3.22Å; F679-Y682 PolarHBondContact O-N 3.37Å; Y682-E686 PolarHBondContact O-N 3.41Å; Y682-E686 VanDerWaalsContact O-N 3.1Å; Y682-K687 HydrophobicContact CD1-CB 4.42Å; Y682-K687 PolarHBondContact O-N 2.98Å; Y682-L690 HydrophobicContact CD1-CB 4.03Å; Y682-L690 HydrophobicContact CD1-CD1 3.73Å; Y682-L690 HydrophobicContact CD2-CB 3.47Å; Y682-L690 VanDerWaalsContact CD2-CB 3.47Å; Y682-L690 HydrophobicContact CD2-CD1 4.43Å; Y682-L690 HydrophobicContact CE1-CB 4.37Å; Y682-L690 HydrophobicContact CE1-CD1 3.57Å; Y682-L690 HydrophobicContact CE2-CB 3.84Å; Y682-L690 HydrophobicContact CE2-CD1 4.27Å; Y682-L690 HydrophobicContact CG-CB 3.58Å; Y682-L690 HydrophobicContact CG-CD1 4.2Å |
| 683 | F | 95.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 170 | -179 | -98.2 | 0 | 0 | 0 | 110.7 | F679 I681 K685 E686 M691 R714 | F679-F683 HydrophobicContact CD1-CB 4.44Å; F679-F683 HydrophobicContact CE1-CB 4.15Å; F679-F683 HydrophobicContact CE1-CD2 4.23Å; F679-F683 HydrophobicContact CE1-CG 4.33Å; F679-F683 HydrophobicContact CZ-CB 4.49Å; F679-F683 HydrophobicContact CZ-CD2 4.09Å; F679-F683 WeakPolarHBondContact O-CB 3.3Å; F679-F683 PolarHBondContact O-N 3.41Å; I681-F683 VanDerWaalsContact C-N 3.3Å; I681-F683 PolarHBondContact O-N 2.94Å; F683-K685 PolarHBondContact O-N 3.29Å; F683-E686 PolarHBondContact O-N 3.13Å; F683-E686 VanDerWaalsContact O-N 3.14Å; F683-M691 WeakPolarHBondContact CA-SD 3.39Å; F683-M691 HydrophobicContact CB-SD 3.84Å; F683-M691 HydrophobicContact CD2-SD 3.67Å; F683-M691 HydrophobicContact CG-SD 4.23Å; F683-R714 HydrophobicContact CE2-CB 4.22Å |
| 684 | R | 93.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 22% | 0.219 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.5 | -29.9 | 176.8 | -70.1 | 164.9 | -178.9 | 71.6 | 1.6 | 113.7 | D570 L654 E680 I681 E686 | D570-R684 VanDerWaalsContact CG-NE 3.28Å; D570-R684 WeakPolarHBondContact OD1-CD 3.4Å; D570-R684 IonicContact OD1-CZ 2.76Å; D570-R684 IonicContact OD1-NE 3.25Å; D570-R684 PolarHBondContact OD1-NE 3.46Å; D570-R684 IonicContact OD1-NH2 3.48Å; D570-R684 IonicContact OD2-CZ 3.89Å; D570-R684 VanDerWaalsContact OD2-CZ 3.28Å; D570-R684 IonicContact OD2-NE 2.67Å; D570-R684 PolarHBondContact OD2-NE 3.47Å; D570-R684 IonicContact OD2-NH2 2.84Å; D570-R684 PolarHBondContact OD2-NH2 3.14Å; L654-R684 HydrophobicContact CD1-CB 3.8Å; L654-R684 HydrophobicContact CD2-CB 4.36Å; E680-R684 PolarHBondContact O-N 3.05Å; E680-R684 PolarHBondContact O-NH1 3.29Å; E680-R684 IonicContact OE2-CZ 3.9Å; E680-R684 IonicContact OE2-NH1 2.87Å; E680-R684 PolarHBondContact OE2-NH1 3.02Å; E680-R684 IonicContact OE2-NH2 3.49Å; I681-R684 PolarHBondContact O-N 3.44Å; R684-E686 PolarHBondContact O-N 3.2Å |
| 685 | K | 93.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.2 | 172.5 | -62.9 | -173.4 | 75 | 159.4 | 0 | 113.9 | L654 E655 I681 F683 K687 | L654-K685 HydrophobicContact CB-CD 4.31Å; L654-K685 HydrophobicContact CB-CG 4.28Å; L654-K685 HydrophobicContact CD1-CG 3.61Å; E655-K685 IonicContact OE1-NZ 2.97Å; E655-K685 PolarHBondContact OE1-NZ 2.92Å; E655-K685 IonicContact OE2-NZ 3.05Å; E655-K685 PolarHBondContact OE2-NZ 3.28Å; I681-K685 HydrophobicContact CG2-CD 4.04Å; I681-K685 HydrophobicContact CG2-CG 4.46Å; I681-K685 WeakPolarHBondContact O-CG 3.41Å; I681-K685 PolarHBondContact O-N 2.98Å; F683-K685 PolarHBondContact O-N 3.29Å; K685-K687 VanDerWaalsContact C-N 3.26Å; K685-K687 HydrophobicContact CB-CG 3.96Å; K685-K687 PolarHBondContact O-N 2.89Å |
| 686 | E | 91.6 | Very high | 95.4 | Very high | 164 Ų | 164 | 39.8 Ų | 39.8 | 77% | 0.766 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.7 | -177.3 | -57.6 | -177.2 | 166.5 | 0 | 0 | 113.7 | Y682 F683 R684 S688 | Y682-E686 PolarHBondContact O-N 3.41Å; Y682-E686 VanDerWaalsContact O-N 3.1Å; F683-E686 PolarHBondContact O-N 3.13Å; F683-E686 VanDerWaalsContact O-N 3.14Å; R684-E686 PolarHBondContact O-N 3.2Å; E686-S688 PolarHBondContact O-N 3.08Å |
| 687 | K | 92.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 43.9 Ų | 43.9 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | trans | -97.3 | 79.1 | -179.8 | -61.5 | -56.8 | -178.1 | -172.7 | 0 | 111.6 | Y682 K685 L689 L690 M691 | Y682-K687 HydrophobicContact CD1-CB 4.42Å; Y682-K687 PolarHBondContact O-N 2.98Å; K685-K687 VanDerWaalsContact C-N 3.26Å; K685-K687 HydrophobicContact CB-CG 3.96Å; K685-K687 PolarHBondContact O-N 2.89Å; K687-L689 PolarHBondContact O-N 3.05Å; K687-L690 HydrophobicContact CB-CB 4.1Å; K687-L690 HydrophobicContact CB-CD1 3.99Å; K687-L690 HydrophobicContact CB-CG 4.26Å; K687-L690 HydrophobicContact CG-CD1 4.32Å; K687-L690 PolarHBondContact O-N 3.24Å; K687-M691 PolarHBondContact O-N 2.98Å | ||
| 688 | S | 90.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.2 | -40.1 | -172.7 | -49.6 | 0 | 0 | 0 | 0 | 116.2 | E686 M691 L692 | E686-S688 PolarHBondContact O-N 3.08Å; S688-M691 VanDerWaalsContact CA-CE 3.47Å; S688-M691 WeakPolarHBondContact O-CB 3.4Å; S688-M691 PolarHBondContact O-N 3.18Å; S688-L692 PolarHBondContact O-N 2.93Å |
| 689 | L | 93.2 | Very high | 95.2 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.5 | -34 | 178.5 | -68.8 | 177.8 | 0 | 0 | 0 | 112.8 | K687 L692 Q693 V729 V732 L733 | K687-L689 PolarHBondContact O-N 3.05Å; L689-L692 PolarHBondContact O-N 3.45Å; L689-Q693 PolarHBondContact O-N 2.69Å; L689-V729 HydrophobicContact CD1-CG1 4.45Å; L689-V729 HydrophobicContact CD1-CG2 4.28Å; L689-V729 HydrophobicContact CD2-CG1 4.18Å; L689-V729 HydrophobicContact CG-CG1 4.08Å; L689-V732 HydrophobicContact CD2-CG1 4.28Å; L689-L733 HydrophobicContact CD2-CD2 4.42Å |
| 690 | L | 94.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.5 | -34.1 | 176.3 | -63.7 | 179 | 0 | 0 | 0 | 111.1 | Y682 K687 Q693 S694 | Y682-L690 HydrophobicContact CD1-CB 4.03Å; Y682-L690 HydrophobicContact CD1-CD1 3.73Å; Y682-L690 HydrophobicContact CD2-CB 3.47Å; Y682-L690 VanDerWaalsContact CD2-CB 3.47Å; Y682-L690 HydrophobicContact CD2-CD1 4.43Å; Y682-L690 HydrophobicContact CE1-CB 4.37Å; Y682-L690 HydrophobicContact CE1-CD1 3.57Å; Y682-L690 HydrophobicContact CE2-CB 3.84Å; Y682-L690 HydrophobicContact CE2-CD1 4.27Å; Y682-L690 HydrophobicContact CG-CB 3.58Å; Y682-L690 HydrophobicContact CG-CD1 4.2Å; K687-L690 HydrophobicContact CB-CB 4.1Å; K687-L690 HydrophobicContact CB-CD1 3.99Å; K687-L690 HydrophobicContact CB-CG 4.26Å; K687-L690 HydrophobicContact CG-CD1 4.32Å; K687-L690 PolarHBondContact O-N 3.24Å; L690-Q693 PolarHBondContact O-N 3.11Å; L690-S694 PolarHBondContact O-N 2.89Å; L690-S694 PolarHBondContact O-OG 2.8Å; L690-S694 VanDerWaalsContact O-OG 3.13Å |
| 691 | M | 95.1 | Very high | 95 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 168.5 | -70.4 | -166.7 | -85.6 | 0 | 0 | 111.4 | F679 F683 K687 S688 Q693 S694 V695 F715 | F679-M691 HydrophobicContact CD2-CB 3.91Å; F679-M691 HydrophobicContact CD2-CG 4.15Å; F679-M691 HydrophobicContact CE2-CB 3.83Å; F679-M691 HydrophobicContact CE2-CG 4.07Å; F679-M691 HydrophobicContact CE2-SD 4.04Å; F679-M691 HydrophobicContact CZ-SD 4.31Å; F683-M691 WeakPolarHBondContact CA-SD 3.39Å; F683-M691 HydrophobicContact CB-SD 3.84Å; F683-M691 HydrophobicContact CD2-SD 3.67Å; F683-M691 HydrophobicContact CG-SD 4.23Å; K687-M691 PolarHBondContact O-N 2.98Å; S688-M691 VanDerWaalsContact CA-CE 3.47Å; S688-M691 WeakPolarHBondContact O-CB 3.4Å; S688-M691 PolarHBondContact O-N 3.18Å; M691-Q693 VanDerWaalsContact C-N 3.33Å; M691-Q693 PolarHBondContact O-N 3.49Å; M691-S694 PolarHBondContact O-N 2.82Å; M691-V695 WeakPolarHBondContact O-CG2 3.24Å; M691-V695 PolarHBondContact O-N 3.34Å; M691-F715 HydrophobicContact CB-CD2 3.82Å; M691-F715 HydrophobicContact CB-CE2 3.86Å; M691-F715 HydrophobicContact SD-CD2 4.28Å |
| 692 | L | 94.9 | Very high | 95 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 177.4 | 179 | 63 | 0 | 0 | 0 | 111.8 | S688 L689 S694 V695 K696 F715 L733 E736 L740 | S688-L692 PolarHBondContact O-N 2.93Å; L689-L692 PolarHBondContact O-N 3.45Å; L692-S694 VanDerWaalsContact C-N 3.35Å; L692-S694 PolarHBondContact O-N 3.34Å; L692-V695 PolarHBondContact O-N 3.37Å; L692-K696 HydrophobicContact CD1-CD 4.42Å; L692-K696 HydrophobicContact CD1-CG 4.28Å; L692-K696 HydrophobicContact CG-CD 4.39Å; L692-K696 WeakPolarHBondContact O-CB 3.36Å; L692-K696 WeakPolarHBondContact O-CG 3.32Å; L692-K696 PolarHBondContact O-N 3.11Å; L692-F715 HydrophobicContact CB-CE2 4.23Å; L692-F715 HydrophobicContact CB-CZ 3.79Å; L692-F715 HydrophobicContact CD1-CE1 3.96Å; L692-F715 HydrophobicContact CD1-CZ 3.94Å; L692-F715 HydrophobicContact CG-CZ 4.39Å; L692-L733 HydrophobicContact CB-CD2 4.47Å; L692-L733 HydrophobicContact CD2-CD2 4.2Å; L692-E736 HydrophobicContact CD1-CB 4.16Å; L692-E736 HydrophobicContact CD2-CB 3.87Å; L692-E736 HydrophobicContact CD2-CG 3.93Å; L692-L740 HydrophobicContact CD1-CD1 3.74Å |
| 693 | Q | 95.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.1 | -176 | -177.9 | 37.3 | 0 | 0 | 111.7 | L689 L690 M691 R697 | L689-Q693 PolarHBondContact O-N 2.69Å; L690-Q693 PolarHBondContact O-N 3.11Å; M691-Q693 VanDerWaalsContact C-N 3.33Å; M691-Q693 PolarHBondContact O-N 3.49Å; Q693-R697 VanDerWaalsContact NE2-NH2 3.12Å; Q693-R697 WeakPolarHBondContact O-CG 3.48Å; Q693-R697 PolarHBondContact O-N 3.28Å; Q693-R697 VanDerWaalsContact O-N 3.17Å |
| 694 | S | 97 | Very high | 94.9 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 178 | -67.2 | 0 | 0 | 0 | 0 | 112 | H675 A678 L690 M691 L692 K696 R697 A698 | H675-S694 WeakPolarHBondContact O-CB 3.47Å; A678-S694 WeakPolarHBondContact CB-OG 3.45Å; L690-S694 PolarHBondContact O-N 2.89Å; L690-S694 PolarHBondContact O-OG 2.8Å; L690-S694 VanDerWaalsContact O-OG 3.13Å; M691-S694 PolarHBondContact O-N 2.82Å; L692-S694 VanDerWaalsContact C-N 3.35Å; L692-S694 PolarHBondContact O-N 3.34Å; S694-K696 PolarHBondContact O-N 3.43Å; S694-R697 PolarHBondContact O-N 3.26Å; S694-A698 PolarHBondContact O-N 3.16Å |
| 695 | V | 96 | Very high | 95 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.4 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | F679 M691 L692 R697 A698 L699 L708 C711 L712 | F679-V695 HydrophobicContact CD2-CG2 3.51Å; F679-V695 HydrophobicContact CE2-CG2 3.7Å; F679-V695 HydrophobicContact CG-CG2 4.41Å; M691-V695 WeakPolarHBondContact O-CG2 3.24Å; M691-V695 PolarHBondContact O-N 3.34Å; L692-V695 PolarHBondContact O-N 3.37Å; V695-R697 VanDerWaalsContact C-N 3.32Å; V695-R697 PolarHBondContact O-N 3.45Å; V695-A698 PolarHBondContact O-N 3.35Å; V695-L699 HydrophobicContact CG1-CD1 3.93Å; V695-L699 HydrophobicContact CG1-CG 4.34Å; V695-L699 WeakPolarHBondContact O-CB 3.27Å; V695-L699 WeakPolarHBondContact O-CG 3.42Å; V695-L699 PolarHBondContact O-N 3.49Å; V695-L708 HydrophobicContact CG1-CD1 4.23Å; V695-C711 HydrophobicContact CG2-CB 4.47Å; V695-L712 HydrophobicContact CG1-CD2 3.26Å; V695-L712 HydrophobicContact CG1-CG 3.98Å |
| 696 | K | 95.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 176.8 | -77.8 | -174 | 169.4 | -163.9 | 0 | 112.9 | L692 S694 S700 E736 | L692-K696 HydrophobicContact CD1-CD 4.42Å; L692-K696 HydrophobicContact CD1-CG 4.28Å; L692-K696 HydrophobicContact CG-CD 4.39Å; L692-K696 WeakPolarHBondContact O-CB 3.36Å; L692-K696 WeakPolarHBondContact O-CG 3.32Å; L692-K696 PolarHBondContact O-N 3.11Å; S694-K696 PolarHBondContact O-N 3.43Å; K696-S700 PolarHBondContact O-N 2.92Å; K696-E736 WeakPolarHBondContact CE-OE2 3.29Å; K696-E736 IonicContact NZ-OE1 2.76Å; K696-E736 PolarHBondContact NZ-OE1 3.38Å; K696-E736 IonicContact NZ-OE2 2.93Å; K696-E736 PolarHBondContact NZ-OE2 2.75Å |
| 697 | R | 96.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 33% | 0.328 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 177.2 | -71.2 | 173.4 | 175.4 | -177.4 | -3.8 | 111.6 | H675 Q693 S694 V695 S700 | H675-R697 HydrophobicContact CB-CB 4.39Å; H675-R697 WeakPolarHBondContact ND1-CB 3.49Å; Q693-R697 VanDerWaalsContact NE2-NH2 3.12Å; Q693-R697 WeakPolarHBondContact O-CG 3.48Å; Q693-R697 PolarHBondContact O-N 3.28Å; Q693-R697 VanDerWaalsContact O-N 3.17Å; S694-R697 PolarHBondContact O-N 3.26Å; V695-R697 VanDerWaalsContact C-N 3.32Å; V695-R697 PolarHBondContact O-N 3.45Å; R697-S700 PolarHBondContact O-N 3.35Å; R697-S700 PolarHBondContact O-OG 3.11Å |
| 698 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I672 H675 L676 S694 V695 S700 I701 D702 L708 | I672-A698 HydrophobicContact CD1-CB 4.22Å; I672-A698 HydrophobicContact CG1-CB 3.86Å; H675-A698 HydrophobicContact CB-CB 4.09Å; L676-A698 HydrophobicContact CD2-CB 4.17Å; S694-A698 PolarHBondContact O-N 3.16Å; V695-A698 PolarHBondContact O-N 3.35Å; A698-S700 VanDerWaalsContact C-N 3.25Å; A698-S700 PolarHBondContact O-N 2.85Å; A698-I701 PolarHBondContact O-N 3.39Å; A698-D702 PolarHBondContact O-N 3.16Å; A698-D702 VanDerWaalsContact O-N 3.1Å; A698-L708 HydrophobicContact CB-CD1 3.56Å; A698-L708 HydrophobicContact CB-CD2 3.97Å; A698-L708 HydrophobicContact CB-CG 4.3Å |
| 699 | L | 95.8 | Very high | 96 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -34.7 | 174.8 | -80 | 168.2 | 0 | 0 | 0 | 112.8 | V695 I701 P703 L708 L712 L740 | V695-L699 HydrophobicContact CG1-CD1 3.93Å; V695-L699 HydrophobicContact CG1-CG 4.34Å; V695-L699 WeakPolarHBondContact O-CB 3.27Å; V695-L699 WeakPolarHBondContact O-CG 3.42Å; V695-L699 PolarHBondContact O-N 3.49Å; L699-I701 PolarHBondContact O-N 3.35Å; L699-P703 HydrophobicContact CD2-CB 4.28Å; L699-P703 WeakPolarHBondContact O-CD 3.13Å; L699-P703 WeakPolarHBondContact O-CG 3.15Å; L699-L708 HydrophobicContact CB-CD2 4.46Å; L699-L708 HydrophobicContact CD2-CD2 3.86Å; L699-L708 HydrophobicContact CG-CD2 3.97Å; L699-L712 HydrophobicContact CD1-CD2 4.3Å; L699-L712 HydrophobicContact CD2-CD1 4.06Å; L699-L740 HydrophobicContact CD1-CD2 3.45Å; L699-L740 VanDerWaalsContact CD1-CD2 3.45Å |
| 700 | S | 96.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 69% | 0.692 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.4 | 177.2 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | K696 R697 A698 | K696-S700 PolarHBondContact O-N 2.92Å; R697-S700 PolarHBondContact O-N 3.35Å; R697-S700 PolarHBondContact O-OG 3.11Å; A698-S700 VanDerWaalsContact C-N 3.25Å; A698-S700 PolarHBondContact O-N 2.85Å |
| 701 | I | 96.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 35% | 0.349 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -57.6 | 179.4 | -62.5 | 164.1 | 0 | 0 | 0 | 110 | K669 I672 A698 L699 | K669-I701 WeakPolarHBondContact O-CD1 3.09Å; I672-I701 HydrophobicContact CB-CB 4.46Å; I672-I701 HydrophobicContact CB-CD1 4.41Å; I672-I701 HydrophobicContact CB-CG2 4.09Å; A698-I701 PolarHBondContact O-N 3.39Å; L699-I701 PolarHBondContact O-N 3.35Å |
| 702 | D | 96.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 33% | 0.326 | 20% | 0.199 | S | C | . | . | trans | -147.5 | 100 | 178.6 | 179 | 5 | 0 | 0 | 0 | 109.9 | I672 A698 D704 H705 L708 | I672-D702 HydrophobicContact CD1-CB 3.92Å; A698-D702 PolarHBondContact O-N 3.16Å; A698-D702 VanDerWaalsContact O-N 3.1Å; D702-D704 PolarHBondContact O-N 3.3Å; D702-D704 PolarHBondContact OD1-N 2.94Å; D702-H705 HydrophobicContact CB-CB 4.14Å; D702-H705 PolarHBondContact O-N 3.03Å; D702-H705 PolarHBondContact OD1-N 3.46Å; D702-H705 WeakPolarHBondContact OD2-CB 3.49Å; D702-H705 IonicContact OD2-CD2 2.74Å; D702-L708 VanDerWaalsContact O-CD2 3.23Å; D702-L708 WeakPolarHBondContact O-CD2 3.35Å | ||
| 703 | P | 94.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 38 Ų | 38 | 49% | 0.494 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.4 | -179.9 | -19.5 | 28.8 | 0 | 0 | 0 | 114.5 | L699 | L699-P703 HydrophobicContact CD2-CB 4.28Å; L699-P703 WeakPolarHBondContact O-CD 3.13Å; L699-P703 WeakPolarHBondContact O-CG 3.15Å |
| 704 | D | 95.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 7.1 | -172.8 | -74.9 | -48.5 | 0 | 0 | 0 | 112.2 | D702 Y753 K756 H757 H763 | D702-D704 PolarHBondContact O-N 3.3Å; D702-D704 PolarHBondContact OD1-N 2.94Å; D704-Y753 PolarHBondContact O-OH 3.15Å; D704-K756 IonicContact OD1-NZ 2.67Å; D704-K756 PolarHBondContact OD1-NZ 3Å; D704-K756 IonicContact OD2-NZ 3.2Å; D704-K756 PolarHBondContact OD2-NZ 3.34Å; D704-H757 VanDerWaalsContact CG-CE1 3.44Å; D704-H757 IonicContact OD1-CE1 3.39Å; D704-H757 IonicContact OD1-NE2 2.67Å; D704-H757 PolarHBondContact OD1-NE2 3.28Å; D704-H757 IonicContact OD2-CE1 3.75Å; D704-H757 IonicContact OD2-NE2 2.87Å; D704-H763 PolarHBondContact O-CD2 3.3Å; D704-H763 VanDerWaalsContact O-CD2 3.29Å; D704-H763 PolarHBondContact O-NE2 2.9Å; D704-H763 VanDerWaalsContact O-NE2 3.1Å |
| 705 | H | 97.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 18% | 0.181 | 18% | 0.184 | C | C | . | . | trans | -63 | 129.1 | -176 | -171.1 | -97.4 | 0 | 0 | 0 | 113.4 | I672 D702 W707 L708 H709 | I672-H705 HydrophobicContact CD1-CB 3.53Å; D702-H705 HydrophobicContact CB-CB 4.14Å; D702-H705 PolarHBondContact O-N 3.03Å; D702-H705 PolarHBondContact OD1-N 3.46Å; D702-H705 WeakPolarHBondContact OD2-CB 3.49Å; D702-H705 IonicContact OD2-CD2 2.74Å; H705-W707 PolarHBondContact ND1-N 3.31Å; H705-W707 PolarHBondContact O-N 3.26Å; H705-L708 HydrophobicContact CB-CB 3.89Å; H705-L708 PolarHBondContact ND1-N 3.21Å; H705-L708 WeakPolarHBondContact O-CA 3.3Å; H705-L708 WeakPolarHBondContact O-CB 3.46Å; H705-L708 PolarHBondContact O-N 3.42Å; H705-H709 PolarHBondContact O-N 3.14Å | ||
| 706 | P | 96.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 14% | 0.143 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -39.1 | -176.2 | -27.6 | 33.8 | 0 | 0 | 0 | 115.8 | Q710 Y753 P762 A766 | P706-Q710 WeakPolarHBondContact O-CG 3.41Å; P706-Q710 PolarHBondContact O-N 2.86Å; P706-Q710 PolarHBondContact O-NE2 3.02Å; P706-Y753 WeakPolarHBondContact CA-OH 3.45Å; P706-P762 HydrophobicContact CB-CB 4.49Å; P706-P762 HydrophobicContact CG-CB 3.91Å; P706-A766 HydrophobicContact CB-CB 3.73Å; P706-A766 WeakPolarHBondContact O-CB 3.41Å |
| 707 | W | 97.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.5 | -31.1 | 177.2 | -176.4 | 16.6 | 0 | 0 | 0 | 111.7 | E673 L676 L677 E680 H705 H709 Q710 C711 | E673-W707 HydrophobicContact CB-CZ3 4.22Å; E673-W707 HydrophobicContact CG-CZ3 4.18Å; L676-W707 HydrophobicContact CB-CD2 3.83Å; L676-W707 HydrophobicContact CB-CE3 3.85Å; L676-W707 HydrophobicContact CB-CH2 3.97Å; L676-W707 HydrophobicContact CB-CZ2 3.95Å; L676-W707 HydrophobicContact CB-CZ3 3.92Å; L676-W707 HydrophobicContact CD1-CB 3.85Å; L676-W707 HydrophobicContact CD1-CD2 3.59Å; L676-W707 HydrophobicContact CD1-CE3 3.42Å; L676-W707 VanDerWaalsContact CD1-CE3 3.42Å; L676-W707 HydrophobicContact CD1-CG 3.8Å; L676-W707 HydrophobicContact CD1-CZ3 4.16Å; L676-W707 HydrophobicContact CG-CD2 4.26Å; L676-W707 HydrophobicContact CG-CE3 4.27Å; L677-W707 HydrophobicContact CD2-CH2 3.75Å; L677-W707 HydrophobicContact CD2-CZ2 4.34Å; L677-W707 HydrophobicContact CG-CH2 3.91Å; E680-W707 HydrophobicContact CG-CZ2 3.9Å; E680-W707 PolarHBondContact OE1-NE1 3.42Å; H705-W707 PolarHBondContact ND1-N 3.31Å; H705-W707 PolarHBondContact O-N 3.26Å; W707-H709 VanDerWaalsContact C-N 3.35Å; W707-Q710 WeakPolarHBondContact O-CB 3.47Å; W707-Q710 PolarHBondContact O-N 3.3Å; W707-C711 PolarHBondContact O-N 2.88Å; W707-C711 VanDerWaalsContact O-N 3.08Å; W707-C711 PolarHBondContact O-SG 3.08Å |
| 708 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 174 | 176.5 | 56.4 | 0 | 0 | 0 | 110.7 | I672 L676 V695 A698 L699 D702 H705 Q710 C711 L712 | I672-L708 HydrophobicContact CD1-CB 4.41Å; I672-L708 HydrophobicContact CD1-CD2 4.33Å; L676-L708 HydrophobicContact CD2-CB 3.94Å; L676-L708 HydrophobicContact CD2-CD1 3.95Å; V695-L708 HydrophobicContact CG1-CD1 4.23Å; A698-L708 HydrophobicContact CB-CD1 3.56Å; A698-L708 HydrophobicContact CB-CD2 3.97Å; A698-L708 HydrophobicContact CB-CG 4.3Å; L699-L708 HydrophobicContact CB-CD2 4.46Å; L699-L708 HydrophobicContact CD2-CD2 3.86Å; L699-L708 HydrophobicContact CG-CD2 3.97Å; D702-L708 VanDerWaalsContact O-CD2 3.23Å; D702-L708 WeakPolarHBondContact O-CD2 3.35Å; H705-L708 HydrophobicContact CB-CB 3.89Å; H705-L708 PolarHBondContact ND1-N 3.21Å; H705-L708 WeakPolarHBondContact O-CA 3.3Å; H705-L708 WeakPolarHBondContact O-CB 3.46Å; H705-L708 PolarHBondContact O-N 3.42Å; L708-Q710 VanDerWaalsContact C-N 3.27Å; L708-Q710 PolarHBondContact O-N 2.63Å; L708-C711 CarbonylContact O-C 3.58Å; L708-C711 WeakPolarHBondContact O-CA 3.47Å; L708-C711 WeakPolarHBondContact O-CB 3.05Å; L708-C711 PolarHBondContact O-N 3.23Å; L708-L712 HydrophobicContact CD1-CD1 4.32Å; L708-L712 HydrophobicContact CD1-CG 4.18Å; L708-L712 HydrophobicContact CG-CD1 3.89Å; L708-L712 HydrophobicContact CG-CG 4.28Å; L708-L712 WeakPolarHBondContact O-CB 3.25Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 3.3Å |
| 709 | H | 97.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.6 | -43.4 | 174.8 | -177.6 | 58 | 0 | 0 | 0 | 112.2 | H705 W707 C711 L712 V713 F749 N750 Y753 | H705-H709 PolarHBondContact O-N 3.14Å; W707-H709 VanDerWaalsContact C-N 3.35Å; H709-C711 VanDerWaalsContact C-N 3.32Å; H709-C711 PolarHBondContact O-N 3.42Å; H709-L712 WeakPolarHBondContact O-CB 3.38Å; H709-L712 PolarHBondContact O-N 3.04Å; H709-V713 WeakPolarHBondContact O-CG2 3.5Å; H709-V713 PolarHBondContact O-N 2.94Å; H709-F749 AromaticContact CE1-CD1 3.8Å; H709-F749 AromaticContact CE1-CE1 3.59Å; H709-F749 AromaticContact ND1-CE1 3.48Å; H709-F749 WeakPolarHBondContact ND1-CE1 3.48Å; H709-N750 PolarHBondContact NE2-OD1 2.98Å; H709-Y753 HydrophobicContact CB-CD2 4.22Å; H709-Y753 HydrophobicContact CB-CE1 4.14Å; H709-Y753 HydrophobicContact CB-CE2 3.73Å; H709-Y753 AromaticContact CD2-CD1 3.46Å; H709-Y753 VanDerWaalsContact CD2-CD1 3.46Å; H709-Y753 WeakPolarHBondContact CD2-CD1 3.49Å; H709-Y753 AromaticContact CD2-CE1 3.62Å; H709-Y753 AromaticContact CD2-CG 3.77Å; H709-Y753 WeakPolarHBondContact CE1-CB 3.15Å; H709-Y753 AromaticContact CE1-CD1 3.94Å; H709-Y753 AromaticContact CE1-CD2 3.91Å; H709-Y753 AromaticContact CE1-CG 3.48Å; H709-Y753 VanDerWaalsContact CE1-CG 3.48Å; H709-Y753 AromaticContact CG-CD1 3.81Å; H709-Y753 AromaticContact CG-CD2 3.74Å; H709-Y753 AromaticContact CG-CE1 3.83Å; H709-Y753 AromaticContact CG-CE2 3.75Å; H709-Y753 AromaticContact CG-CG 3.74Å; H709-Y753 AromaticContact CG-CZ 3.77Å; H709-Y753 AromaticContact ND1-CD2 3.57Å; H709-Y753 AromaticContact ND1-CG 3.61Å; H709-Y753 AromaticContact NE2-CD1 3.54Å; H709-Y753 AromaticContact NE2-CG 3.59Å |
| 710 | Q | 96.7 | Very high | 93.9 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 174.5 | -65.4 | 171 | 66.2 | 0 | 0 | 112.5 | P706 W707 L708 R714 A766 M770 | P706-Q710 WeakPolarHBondContact O-CG 3.41Å; P706-Q710 PolarHBondContact O-N 2.86Å; P706-Q710 PolarHBondContact O-NE2 3.02Å; W707-Q710 WeakPolarHBondContact O-CB 3.47Å; W707-Q710 PolarHBondContact O-N 3.3Å; L708-Q710 VanDerWaalsContact C-N 3.27Å; L708-Q710 PolarHBondContact O-N 2.63Å; Q710-R714 WeakPolarHBondContact O-CB 3.36Å; Q710-R714 VanDerWaalsContact O-CG 3.32Å; Q710-R714 WeakPolarHBondContact O-CG 3.21Å; Q710-R714 PolarHBondContact O-N 3.26Å; Q710-R714 PolarHBondContact O-NE 2.9Å; Q710-A766 HydrophobicContact CG-CB 3.99Å; Q710-M770 HydrophobicContact CB-CE 4.04Å; Q710-M770 HydrophobicContact CB-CG 4.32Å; Q710-M770 HydrophobicContact CB-SD 4.03Å; Q710-M770 HydrophobicContact CG-CE 3.96Å; Q710-M770 HydrophobicContact CG-CG 3.97Å; Q710-M770 HydrophobicContact CG-SD 4.21Å |
| 711 | C | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 174 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | L676 F679 V695 W707 L708 H709 R714 F715 | L676-C711 HydrophobicContact CD2-CB 4.5Å; F679-C711 HydrophobicContact CD1-CB 3.57Å; F679-C711 WeakPolarHBondContact CD1-SG 3.47Å; F679-C711 HydrophobicContact CD2-CB 4.26Å; F679-C711 HydrophobicContact CE1-CB 3.56Å; F679-C711 HydrophobicContact CE2-CB 4.24Å; F679-C711 HydrophobicContact CG-CB 3.93Å; F679-C711 HydrophobicContact CZ-CB 3.9Å; F679-C711 WeakPolarHBondContact CZ-O 3.47Å; V695-C711 HydrophobicContact CG2-CB 4.47Å; W707-C711 PolarHBondContact O-N 2.88Å; W707-C711 VanDerWaalsContact O-N 3.08Å; W707-C711 PolarHBondContact O-SG 3.08Å; L708-C711 CarbonylContact O-C 3.58Å; L708-C711 WeakPolarHBondContact O-CA 3.47Å; L708-C711 WeakPolarHBondContact O-CB 3.05Å; L708-C711 PolarHBondContact O-N 3.23Å; H709-C711 VanDerWaalsContact C-N 3.32Å; H709-C711 PolarHBondContact O-N 3.42Å; C711-R714 PolarHBondContact O-N 3.34Å; C711-R714 PolarHBondContact SG-NH2 3.42Å; C711-F715 WeakPolarHBondContact O-CB 3.49Å; C711-F715 PolarHBondContact O-N 3.19Å |
| 712 | L | 95.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 178.5 | -80.2 | 166.2 | 0 | 0 | 0 | 111.9 | V695 L699 L708 H709 F715 F716 F741 F749 | V695-L712 HydrophobicContact CG1-CD2 3.26Å; V695-L712 HydrophobicContact CG1-CG 3.98Å; L699-L712 HydrophobicContact CD1-CD2 4.3Å; L699-L712 HydrophobicContact CD2-CD1 4.06Å; L708-L712 HydrophobicContact CD1-CD1 4.32Å; L708-L712 HydrophobicContact CD1-CG 4.18Å; L708-L712 HydrophobicContact CG-CD1 3.89Å; L708-L712 HydrophobicContact CG-CG 4.28Å; L708-L712 WeakPolarHBondContact O-CB 3.25Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 3.3Å; H709-L712 WeakPolarHBondContact O-CB 3.38Å; H709-L712 PolarHBondContact O-N 3.04Å; L712-F715 PolarHBondContact O-N 2.93Å; L712-F716 WeakPolarHBondContact O-CB 3.37Å; L712-F716 PolarHBondContact O-N 2.95Å; L712-F741 HydrophobicContact CB-CE1 3.98Å; L712-F741 HydrophobicContact CB-CZ 4.15Å; L712-F741 HydrophobicContact CD2-CE1 3.75Å; L712-F741 HydrophobicContact CD2-CZ 3.55Å; L712-F741 HydrophobicContact CG-CE1 4.42Å; L712-F741 HydrophobicContact CG-CZ 4.48Å; L712-F749 HydrophobicContact CB-CE1 4.17Å; L712-F749 HydrophobicContact CD1-CZ 4.33Å |
| 713 | V | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | H709 F715 F716 K717 F749 N750 M770 L774 | H709-V713 WeakPolarHBondContact O-CG2 3.5Å; H709-V713 PolarHBondContact O-N 2.94Å; V713-F715 PolarHBondContact O-N 3.45Å; V713-F716 PolarHBondContact O-N 3.37Å; V713-K717 PolarHBondContact O-N 2.95Å; V713-F749 HydrophobicContact CG2-CD1 4.03Å; V713-F749 HydrophobicContact CG2-CE1 4.36Å; V713-N750 HydrophobicContact CG2-CB 4.46Å; V713-M770 HydrophobicContact CB-CB 4.34Å; V713-M770 HydrophobicContact CB-CG 3.93Å; V713-M770 HydrophobicContact CB-SD 3.75Å; V713-M770 HydrophobicContact CG1-CB 4.07Å; V713-M770 HydrophobicContact CG1-CG 4.11Å; V713-M770 HydrophobicContact CG1-SD 3.84Å; V713-M770 HydrophobicContact CG2-CB 4.29Å; V713-M770 HydrophobicContact CG2-CG 4.07Å; V713-L774 HydrophobicContact CG1-CD1 3.76Å; V713-L774 HydrophobicContact CG1-CD2 3.93Å; V713-L774 HydrophobicContact CG1-CG 3.92Å |
| 714 | R | 94.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.5 | -74.5 | -178.7 | -66.6 | 160.7 | -1.3 | 112.2 | E680 F683 Q710 C711 G718 M770 Y773 | E680-R714 IonicContact OE1-CZ 2.84Å; E680-R714 IonicContact OE1-NH1 2.83Å; E680-R714 PolarHBondContact OE1-NH1 3.08Å; E680-R714 IonicContact OE1-NH2 3.21Å; E680-R714 PolarHBondContact OE1-NH2 2.59Å; E680-R714 IonicContact OE2-CZ 3.17Å; E680-R714 IonicContact OE2-NH1 3.86Å; E680-R714 PolarHBondContact OE2-NH1 2.98Å; E680-R714 IonicContact OE2-NH2 2.67Å; F683-R714 HydrophobicContact CE2-CB 4.22Å; Q710-R714 WeakPolarHBondContact O-CB 3.36Å; Q710-R714 VanDerWaalsContact O-CG 3.32Å; Q710-R714 WeakPolarHBondContact O-CG 3.21Å; Q710-R714 PolarHBondContact O-N 3.26Å; Q710-R714 PolarHBondContact O-NE 2.9Å; C711-R714 PolarHBondContact O-N 3.34Å; C711-R714 PolarHBondContact SG-NH2 3.42Å; R714-G718 PolarHBondContact O-N 3.34Å; R714-M770 HydrophobicContact CG-SD 4.22Å; R714-Y773 HydrophobicContact CB-CE1 4.47Å; R714-Y773 HydrophobicContact CG-CD1 4.25Å; R714-Y773 HydrophobicContact CG-CE1 3.78Å; R714-Y773 HydrophobicContact CG-CE2 4.49Å |
| 715 | F | 93.1 | Very high | 89 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.2 | -179.9 | -107.9 | 0 | 0 | 0 | 111.3 | F679 M691 L692 C711 L712 V713 G718 V719 L733 I737 F741 | F679-F715 HydrophobicContact CE2-CB 3.87Å; F679-F715 HydrophobicContact CE2-CD2 4.21Å; F679-F715 HydrophobicContact CE2-CG 4.37Å; F679-F715 HydrophobicContact CZ-CB 3.99Å; M691-F715 HydrophobicContact CB-CD2 3.82Å; M691-F715 HydrophobicContact CB-CE2 3.86Å; M691-F715 HydrophobicContact SD-CD2 4.28Å; L692-F715 HydrophobicContact CB-CE2 4.23Å; L692-F715 HydrophobicContact CB-CZ 3.79Å; L692-F715 HydrophobicContact CD1-CE1 3.96Å; L692-F715 HydrophobicContact CD1-CZ 3.94Å; L692-F715 HydrophobicContact CG-CZ 4.39Å; C711-F715 WeakPolarHBondContact O-CB 3.49Å; C711-F715 PolarHBondContact O-N 3.19Å; L712-F715 PolarHBondContact O-N 2.93Å; V713-F715 PolarHBondContact O-N 3.45Å; F715-G718 PolarHBondContact O-N 3.36Å; F715-V719 HydrophobicContact CD2-CG2 3.99Å; F715-V719 HydrophobicContact CE1-CG2 4.27Å; F715-V719 HydrophobicContact CE2-CG2 3.64Å; F715-V719 HydrophobicContact CG-CG2 4.45Å; F715-V719 HydrophobicContact CZ-CG2 3.79Å; F715-V719 WeakPolarHBondContact O-CB 3.43Å; F715-V719 VanDerWaalsContact O-CG2 3.32Å; F715-V719 WeakPolarHBondContact O-CG2 3.48Å; F715-V719 PolarHBondContact O-N 3Å; F715-L733 HydrophobicContact CE2-CD2 4.38Å; F715-L733 HydrophobicContact CZ-CD2 3.83Å; F715-I737 HydrophobicContact CE1-CG1 4.49Å; F715-F741 HydrophobicContact CD1-CE2 4.29Å; F715-F741 HydrophobicContact CD1-CZ 4.5Å |
| 716 | F | 91.4 | Very high | 88.4 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.057 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | -179 | -170.4 | -170.7 | 0 | 0 | 0 | 111.7 | L712 V713 S720 I737 F741 S744 N745 A746 | L712-F716 WeakPolarHBondContact O-CB 3.37Å; L712-F716 PolarHBondContact O-N 2.95Å; V713-F716 PolarHBondContact O-N 3.37Å; F716-S720 WeakPolarHBondContact CD2-OG 3.36Å; F716-S720 VanDerWaalsContact O-CB 3.29Å; F716-S720 WeakPolarHBondContact O-CB 3.26Å; F716-S720 PolarHBondContact O-N 3.29Å; F716-S720 VanDerWaalsContact O-N 3.08Å; F716-S720 PolarHBondContact O-OG 3.29Å; F716-I737 HydrophobicContact CD2-CD1 4.34Å; F716-I737 HydrophobicContact CD2-CG2 3.98Å; F716-I737 HydrophobicContact CE2-CG2 3.55Å; F716-I737 HydrophobicContact CZ-CG2 4.25Å; F716-F741 HydrophobicContact CB-CD2 4.37Å; F716-F741 HydrophobicContact CB-CE1 4.3Å; F716-F741 HydrophobicContact CB-CE2 3.96Å; F716-F741 HydrophobicContact CB-CZ 3.91Å; F716-F741 HydrophobicContact CD1-CB 4.2Å; F716-F741 AromaticContact CD1-CD1 3.93Å; F716-F741 HydrophobicContact CD1-CD1 3.93Å; F716-F741 HydrophobicContact CD1-CD2 4.12Å; F716-F741 HydrophobicContact CD1-CE1 4.31Å; F716-F741 HydrophobicContact CD1-CE2 4.5Å; F716-F741 AromaticContact CD1-CG 3.81Å; F716-F741 HydrophobicContact CD1-CG 3.81Å; F716-F741 HydrophobicContact CD2-CD2 4.2Å; F716-F741 HydrophobicContact CD2-CE2 4.48Å; F716-F741 HydrophobicContact CE1-CB 3.82Å; F716-F741 HydrophobicContact CE1-CD1 4.36Å; F716-F741 HydrophobicContact CE1-CD2 4.44Å; F716-F741 AromaticContact CE1-CG 3.97Å; F716-F741 HydrophobicContact CE1-CG 3.97Å; F716-F741 HydrophobicContact CG-CD1 4.45Å; F716-F741 AromaticContact CG-CD2 4Å; F716-F741 HydrophobicContact CG-CD2 4Å; F716-F741 HydrophobicContact CG-CE2 4.1Å; F716-F741 HydrophobicContact CG-CG 4.18Å; F716-F741 HydrophobicContact CG-CZ 4.36Å; F716-F741 HydrophobicContact CZ-CB 4.15Å; F716-F741 HydrophobicContact CZ-CG 4.48Å; F716-S744 VanDerWaalsContact CZ-O 3.24Å; F716-S744 WeakPolarHBondContact CZ-O 3.44Å; F716-N745 VanDerWaalsContact CE1-C 3.48Å; F716-A746 HydrophobicContact CD1-CB 3.9Å; F716-A746 HydrophobicContact CE1-CB 4.39Å; F716-A746 VanDerWaalsContact CE1-N 3.34Å; F716-A746 HydrophobicContact CG-CB 4.36Å |
| 717 | K | 89.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 19% | 0.191 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -52.3 | 174.3 | -171.2 | -172.3 | -173.6 | 178.6 | 0 | 111.1 | V713 V719 S720 E721 Y773 L774 | V713-K717 PolarHBondContact O-N 2.95Å; K717-V719 PolarHBondContact O-N 3.35Å; K717-S720 PolarHBondContact O-N 3.47Å; K717-S720 VanDerWaalsContact O-N 3.15Å; K717-E721 WeakPolarHBondContact CE-OE1 3.41Å; K717-E721 HydrophobicContact CG-CG 4.4Å; K717-E721 WeakPolarHBondContact CG-OE1 3.34Å; K717-E721 WeakPolarHBondContact O-CB 3.41Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 3.46Å; K717-Y773 HydrophobicContact CB-CE1 4.28Å; K717-Y773 HydrophobicContact CD-CD1 4.11Å; K717-Y773 HydrophobicContact CD-CE1 3.34Å; K717-Y773 HydrophobicContact CG-CE1 4.42Å; K717-Y773 PolarHBondContact NZ-O 3.08Å; K717-L774 HydrophobicContact CB-CD2 4.42Å; K717-L774 HydrophobicContact CD-CD2 4.14Å; K717-L774 HydrophobicContact CG-CD2 4.48Å |
| 718 | G | 86.5 | Confident | 87.3 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R714 F715 S722 | R714-G718 PolarHBondContact O-N 3.34Å; F715-G718 PolarHBondContact O-N 3.36Å; G718-S722 VanDerWaalsContact O-CB 3.26Å; G718-S722 WeakPolarHBondContact O-CB 3.44Å; G718-S722 PolarHBondContact O-N 3.48Å; G718-S722 VanDerWaalsContact O-N 3.08Å |
| 719 | V | 84.9 | Confident | 86.9 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.2 | -35.9 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | F715 K717 E721 S722 L733 I737 | F715-V719 HydrophobicContact CD2-CG2 3.99Å; F715-V719 HydrophobicContact CE1-CG2 4.27Å; F715-V719 HydrophobicContact CE2-CG2 3.64Å; F715-V719 HydrophobicContact CG-CG2 4.45Å; F715-V719 HydrophobicContact CZ-CG2 3.79Å; F715-V719 WeakPolarHBondContact O-CB 3.43Å; F715-V719 VanDerWaalsContact O-CG2 3.32Å; F715-V719 WeakPolarHBondContact O-CG2 3.48Å; F715-V719 PolarHBondContact O-N 3Å; K717-V719 PolarHBondContact O-N 3.35Å; V719-E721 VanDerWaalsContact C-N 3.32Å; V719-S722 PolarHBondContact O-N 3.05Å; V719-L733 HydrophobicContact CG1-CB 3.97Å; V719-L733 HydrophobicContact CG1-CD1 4.11Å; V719-L733 HydrophobicContact CG2-CD1 4.44Å; V719-I737 HydrophobicContact CB-CD1 3.66Å; V719-I737 HydrophobicContact CG1-CD1 3.29Å; V719-I737 HydrophobicContact CG2-CD1 4.43Å |
| 720 | S | 82.3 | Confident | 86.3 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.4 | -34.5 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | F716 K717 | F716-S720 WeakPolarHBondContact CD2-OG 3.36Å; F716-S720 VanDerWaalsContact O-CB 3.29Å; F716-S720 WeakPolarHBondContact O-CB 3.26Å; F716-S720 PolarHBondContact O-N 3.29Å; F716-S720 VanDerWaalsContact O-N 3.08Å; F716-S720 PolarHBondContact O-OG 3.29Å; K717-S720 PolarHBondContact O-N 3.47Å; K717-S720 VanDerWaalsContact O-N 3.15Å |
| 721 | E | 82.6 | Confident | 85.9 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -89 | -15 | -179.4 | -68 | 174.6 | 178.3 | 0 | 0 | 113.3 | K717 V719 K723 | K717-E721 WeakPolarHBondContact CE-OE1 3.41Å; K717-E721 HydrophobicContact CG-CG 4.4Å; K717-E721 WeakPolarHBondContact CG-OE1 3.34Å; K717-E721 WeakPolarHBondContact O-CB 3.41Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 3.46Å; V719-E721 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 3.02Å |
| 722 | S | 77.7 | Confident | 85.6 | Confident | 40 Ų | 40 | 65 Ų | 65 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | trans | -69.8 | 115.4 | -177 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | G718 V719 L725 | G718-S722 VanDerWaalsContact O-CB 3.26Å; G718-S722 WeakPolarHBondContact O-CB 3.44Å; G718-S722 PolarHBondContact O-N 3.48Å; G718-S722 VanDerWaalsContact O-N 3.08Å; V719-S722 PolarHBondContact O-N 3.05Å; S722-L725 WeakPolarHBondContact OG-CD1 3.38Å; S722-L725 WeakPolarHBondContact OG-CG 3.21Å | ||
| 723 | K | 66.6 | Low | 85.2 | Confident | 184 Ų | 184 | 64.7 Ų | 64.7 | 80% | 0.8 | 35% | 0.349 | S | S | * | . | trans | -88.2 | -28.3 | 179.3 | -66 | -178.4 | -177.7 | 175.9 | 0 | 112.9 | E721 R730 | E721-K723 PolarHBondContact O-N 3.02Å; K723-R730 PolarHBondContact O-NH2 3.19Å | ||
| 724 | E | 69.1 | Low | 84.7 | Confident | 185 Ų | 185 | 70.9 Ų | 70.9 | 86% | 0.864 | 38% | 0.376 | S | S | * | . | trans | -108 | 63.5 | -171.3 | -62.5 | -171.9 | 171 | 0 | 0 | 112.9 | ||||
| 725 | L | 79.4 | Confident | 84.4 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | trans | -117.1 | 136.9 | 172 | -73.3 | 163.6 | 0 | 0 | 0 | 110.4 | S722 V729 R730 L733 | S722-L725 WeakPolarHBondContact OG-CD1 3.38Å; S722-L725 WeakPolarHBondContact OG-CG 3.21Å; L725-V729 HydrophobicContact CD2-CG1 4.26Å; L725-R730 HydrophobicContact CB-CB 4.46Å; L725-R730 PolarHBondContact O-NH2 2.73Å; L725-L733 HydrophobicContact CD1-CD1 3.86Å | ||
| 726 | P | 85.3 | Confident | 84.2 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | trans | -53.9 | 141.1 | 171 | -24.3 | 33.1 | 0 | 0 | 0 | 111.4 | V728 V729 R730 | P726-V728 VanDerWaalsContact C-N 3.27Å; P726-V728 PolarHBondContact O-N 3.12Å; P726-V729 HydrophobicContact CB-CB 4.45Å; P726-V729 HydrophobicContact CB-CG2 4.19Å; P726-V729 HydrophobicContact CG-CG2 4.37Å; P726-V729 WeakPolarHBondContact O-CA 3.43Å; P726-V729 WeakPolarHBondContact O-CB 3.48Å; P726-V729 PolarHBondContact O-N 3.04Å; P726-R730 PolarHBondContact O-N 3.31Å | ||
| 727 | D | 83.3 | Confident | 84 | Confident | 122 Ų | 122 | 75.7 Ų | 75.7 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.3 | -36.8 | -171.7 | -69 | -33.9 | 0 | 0 | 0 | 113.9 | R730 T731 | D727-R730 PolarHBondContact O-N 3.34Å; D727-T731 WeakPolarHBondContact O-CB 3.34Å; D727-T731 PolarHBondContact O-N 2.71Å; D727-T731 PolarHBondContact O-OG1 2.97Å |
| 728 | V | 88.5 | Confident | 83.8 | Confident | 116 Ų | 116 | 77.4 Ų | 77.4 | 70% | 0.703 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | P726 T731 V732 | P726-V728 VanDerWaalsContact C-N 3.27Å; P726-V728 PolarHBondContact O-N 3.12Å; V728-T731 PolarHBondContact O-N 2.83Å; V728-V732 WeakPolarHBondContact O-CG2 3.45Å; V728-V732 PolarHBondContact O-N 3.38Å |
| 729 | V | 87.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | L689 L725 P726 T731 V732 L733 | L689-V729 HydrophobicContact CD1-CG1 4.45Å; L689-V729 HydrophobicContact CD1-CG2 4.28Å; L689-V729 HydrophobicContact CD2-CG1 4.18Å; L689-V729 HydrophobicContact CG-CG1 4.08Å; L725-V729 HydrophobicContact CD2-CG1 4.26Å; P726-V729 HydrophobicContact CB-CB 4.45Å; P726-V729 HydrophobicContact CB-CG2 4.19Å; P726-V729 HydrophobicContact CG-CG2 4.37Å; P726-V729 WeakPolarHBondContact O-CA 3.43Å; P726-V729 WeakPolarHBondContact O-CB 3.48Å; P726-V729 PolarHBondContact O-N 3.04Å; V729-T731 VanDerWaalsContact C-N 3.3Å; V729-T731 PolarHBondContact O-N 3.44Å; V729-V732 PolarHBondContact O-N 3.41Å; V729-L733 HydrophobicContact CG1-CD1 3.69Å; V729-L733 HydrophobicContact CG1-CG 4.18Å; V729-L733 WeakPolarHBondContact O-CB 3.42Å; V729-L733 VanDerWaalsContact O-CG 3.24Å; V729-L733 WeakPolarHBondContact O-CG 3.48Å; V729-L733 PolarHBondContact O-N 2.96Å |
| 730 | R | 85.3 | Confident | 84 | Confident | 75 Ų | 75 | 85 Ų | 85 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.6 | -170.2 | -170.9 | -61.7 | -99.5 | 1.8 | 111.8 | K723 L725 P726 D727 L733 K734 | K723-R730 PolarHBondContact O-NH2 3.19Å; L725-R730 HydrophobicContact CB-CB 4.46Å; L725-R730 PolarHBondContact O-NH2 2.73Å; P726-R730 PolarHBondContact O-N 3.31Å; D727-R730 PolarHBondContact O-N 3.34Å; R730-L733 PolarHBondContact O-N 3.38Å; R730-K734 HydrophobicContact CG-CD 4.39Å; R730-K734 WeakPolarHBondContact O-CB 3.3Å; R730-K734 WeakPolarHBondContact O-CG 3.17Å; R730-K734 PolarHBondContact O-N 2.73Å |
| 731 | T | 87.2 | Confident | 84.2 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.7 | -49.1 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | D727 V728 V729 L733 K734 Q735 | D727-T731 WeakPolarHBondContact O-CB 3.34Å; D727-T731 PolarHBondContact O-N 2.71Å; D727-T731 PolarHBondContact O-OG1 2.97Å; V728-T731 PolarHBondContact O-N 2.83Å; V729-T731 VanDerWaalsContact C-N 3.3Å; V729-T731 PolarHBondContact O-N 3.44Å; T731-L733 PolarHBondContact O-N 3.45Å; T731-K734 PolarHBondContact O-N 3.49Å; T731-Q735 PolarHBondContact O-N 2.97Å; T731-Q735 VanDerWaalsContact O-N 3.08Å |
| 732 | V | 90.6 | Very high | 84.2 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L689 V728 V729 K734 Q735 E736 | L689-V732 HydrophobicContact CD2-CG1 4.28Å; V728-V732 WeakPolarHBondContact O-CG2 3.45Å; V728-V732 PolarHBondContact O-N 3.38Å; V729-V732 PolarHBondContact O-N 3.41Å; V732-K734 PolarHBondContact O-N 2.84Å; V732-Q735 PolarHBondContact O-N 3.16Å; V732-E736 WeakPolarHBondContact O-CB 3.46Å; V732-E736 VanDerWaalsContact O-CG 3.32Å; V732-E736 WeakPolarHBondContact O-CG 3.36Å; V732-E736 PolarHBondContact O-N 3.37Å |
| 733 | L | 87.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -179.3 | -72.2 | 173.2 | 0 | 0 | 0 | 112.5 | L689 L692 F715 V719 L725 V729 R730 T731 E736 I737 | L689-L733 HydrophobicContact CD2-CD2 4.42Å; L692-L733 HydrophobicContact CB-CD2 4.47Å; L692-L733 HydrophobicContact CD2-CD2 4.2Å; F715-L733 HydrophobicContact CE2-CD2 4.38Å; F715-L733 HydrophobicContact CZ-CD2 3.83Å; V719-L733 HydrophobicContact CG1-CB 3.97Å; V719-L733 HydrophobicContact CG1-CD1 4.11Å; V719-L733 HydrophobicContact CG2-CD1 4.44Å; L725-L733 HydrophobicContact CD1-CD1 3.86Å; V729-L733 HydrophobicContact CG1-CD1 3.69Å; V729-L733 HydrophobicContact CG1-CG 4.18Å; V729-L733 WeakPolarHBondContact O-CB 3.42Å; V729-L733 VanDerWaalsContact O-CG 3.24Å; V729-L733 WeakPolarHBondContact O-CG 3.48Å; V729-L733 PolarHBondContact O-N 2.96Å; R730-L733 PolarHBondContact O-N 3.38Å; T731-L733 PolarHBondContact O-N 3.45Å; L733-E736 PolarHBondContact O-N 3.41Å; L733-I737 WeakPolarHBondContact O-CB 3.42Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.34Å; L733-I737 PolarHBondContact O-N 2.9Å |
| 734 | K | 84.6 | Confident | 85.2 | Confident | 131 Ų | 131 | 77 Ų | 77 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.2 | -48.2 | 175.7 | -80.4 | -177 | 175.4 | -173.5 | 0 | 111.7 | R730 T731 V732 E736 I737 T738 | R730-K734 HydrophobicContact CG-CD 4.39Å; R730-K734 WeakPolarHBondContact O-CB 3.3Å; R730-K734 WeakPolarHBondContact O-CG 3.17Å; R730-K734 PolarHBondContact O-N 2.73Å; T731-K734 PolarHBondContact O-N 3.49Å; V732-K734 PolarHBondContact O-N 2.84Å; K734-E736 VanDerWaalsContact C-N 3.27Å; K734-E736 PolarHBondContact O-N 3.35Å; K734-I737 PolarHBondContact O-N 3.49Å; K734-T738 PolarHBondContact O-N 3.48Å; K734-T738 PolarHBondContact O-OG1 3.1Å; K734-T738 VanDerWaalsContact O-OG1 3.14Å |
| 735 | Q | 88.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 178.6 | -175.3 | 178.7 | 12 | 0 | 0 | 111.7 | T731 V732 R739 | T731-Q735 PolarHBondContact O-N 2.97Å; T731-Q735 VanDerWaalsContact O-N 3.08Å; V732-Q735 PolarHBondContact O-N 3.16Å; Q735-R739 WeakPolarHBondContact O-CG 3.35Å; Q735-R739 PolarHBondContact O-N 2.91Å |
| 736 | E | 90.3 | Very high | 86.5 | Confident | 21 Ų | 21 | 72 Ų | 72 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.4 | -32.3 | -179.4 | -70.3 | -66.1 | 166 | 0 | 0 | 112.8 | L692 K696 V732 L733 K734 R739 L740 | L692-E736 HydrophobicContact CD1-CB 4.16Å; L692-E736 HydrophobicContact CD2-CB 3.87Å; L692-E736 HydrophobicContact CD2-CG 3.93Å; K696-E736 WeakPolarHBondContact CE-OE2 3.29Å; K696-E736 IonicContact NZ-OE1 2.76Å; K696-E736 PolarHBondContact NZ-OE1 3.38Å; K696-E736 IonicContact NZ-OE2 2.93Å; K696-E736 PolarHBondContact NZ-OE2 2.75Å; V732-E736 WeakPolarHBondContact O-CB 3.46Å; V732-E736 VanDerWaalsContact O-CG 3.32Å; V732-E736 WeakPolarHBondContact O-CG 3.36Å; V732-E736 PolarHBondContact O-N 3.37Å; L733-E736 PolarHBondContact O-N 3.41Å; K734-E736 VanDerWaalsContact C-N 3.27Å; K734-E736 PolarHBondContact O-N 3.35Å; E736-R739 PolarHBondContact O-N 3.44Å; E736-R739 IonicContact OE1-CZ 2.71Å; E736-R739 IonicContact OE1-NH1 2.7Å; E736-R739 PolarHBondContact OE1-NH1 3.42Å; E736-L740 WeakPolarHBondContact O-CB 3.43Å; E736-L740 VanDerWaalsContact O-CG 3.28Å; E736-L740 WeakPolarHBondContact O-CG 3.44Å; E736-L740 PolarHBondContact O-N 3.39Å |
| 737 | I | 86.6 | Confident | 86.8 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 170.3 | -79.3 | 173.4 | 0 | 0 | 0 | 110.8 | F715 F716 V719 L733 K734 R739 L740 F741 | F715-I737 HydrophobicContact CE1-CG1 4.49Å; F716-I737 HydrophobicContact CD2-CD1 4.34Å; F716-I737 HydrophobicContact CD2-CG2 3.98Å; F716-I737 HydrophobicContact CE2-CG2 3.55Å; F716-I737 HydrophobicContact CZ-CG2 4.25Å; V719-I737 HydrophobicContact CB-CD1 3.66Å; V719-I737 HydrophobicContact CG1-CD1 3.29Å; V719-I737 HydrophobicContact CG2-CD1 4.43Å; L733-I737 WeakPolarHBondContact O-CB 3.42Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.34Å; L733-I737 PolarHBondContact O-N 2.9Å; K734-I737 PolarHBondContact O-N 3.49Å; I737-R739 PolarHBondContact O-N 3.11Å; I737-L740 PolarHBondContact O-N 3Å; I737-F741 HydrophobicContact CB-CD2 4.32Å; I737-F741 HydrophobicContact CG1-CD2 4.29Å; I737-F741 HydrophobicContact CG1-CE2 4.37Å; I737-F741 HydrophobicContact CG2-CD2 4.05Å; I737-F741 WeakPolarHBondContact O-CB 3.28Å; I737-F741 WeakPolarHBondContact O-CD2 3.17Å; I737-F741 PolarHBondContact O-N 2.89Å |
| 738 | T | 86 | Confident | 87.3 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | K734 G742 | K734-T738 PolarHBondContact O-N 3.48Å; K734-T738 PolarHBondContact O-OG1 3.1Å; K734-T738 VanDerWaalsContact O-OG1 3.14Å; T738-G742 WeakPolarHBondContact O-CA 3.41Å; T738-G742 PolarHBondContact O-N 2.84Å |
| 739 | R | 87.9 | Confident | 87.5 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70.4 | -40.7 | 175.4 | -74.1 | 174.7 | 172.8 | 176.5 | -5.2 | 113.5 | Q735 E736 I737 | Q735-R739 WeakPolarHBondContact O-CG 3.35Å; Q735-R739 PolarHBondContact O-N 2.91Å; E736-R739 PolarHBondContact O-N 3.44Å; E736-R739 IonicContact OE1-CZ 2.71Å; E736-R739 IonicContact OE1-NH1 2.7Å; E736-R739 PolarHBondContact OE1-NH1 3.42Å; I737-R739 PolarHBondContact O-N 3.11Å |
| 740 | L | 86.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.5 | -36.2 | -175.1 | -70.1 | 176.8 | 0 | 0 | 0 | 112.9 | L692 L699 E736 I737 | L692-L740 HydrophobicContact CD1-CD1 3.74Å; L699-L740 HydrophobicContact CD1-CD2 3.45Å; L699-L740 VanDerWaalsContact CD1-CD2 3.45Å; E736-L740 WeakPolarHBondContact O-CB 3.43Å; E736-L740 VanDerWaalsContact O-CG 3.28Å; E736-L740 WeakPolarHBondContact O-CG 3.44Å; E736-L740 PolarHBondContact O-N 3.39Å; I737-L740 PolarHBondContact O-N 3Å |
| 741 | F | 86.6 | Confident | 88.2 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -120.5 | -7 | -169.5 | -54.2 | -72.5 | 0 | 0 | 0 | 113.5 | L712 F715 F716 I737 S744 F749 | L712-F741 HydrophobicContact CB-CE1 3.98Å; L712-F741 HydrophobicContact CB-CZ 4.15Å; L712-F741 HydrophobicContact CD2-CE1 3.75Å; L712-F741 HydrophobicContact CD2-CZ 3.55Å; L712-F741 HydrophobicContact CG-CE1 4.42Å; L712-F741 HydrophobicContact CG-CZ 4.48Å; F715-F741 HydrophobicContact CD1-CE2 4.29Å; F715-F741 HydrophobicContact CD1-CZ 4.5Å; F716-F741 HydrophobicContact CB-CD2 4.37Å; F716-F741 HydrophobicContact CB-CE1 4.3Å; F716-F741 HydrophobicContact CB-CE2 3.96Å; F716-F741 HydrophobicContact CB-CZ 3.91Å; F716-F741 HydrophobicContact CD1-CB 4.2Å; F716-F741 AromaticContact CD1-CD1 3.93Å; F716-F741 HydrophobicContact CD1-CD1 3.93Å; F716-F741 HydrophobicContact CD1-CD2 4.12Å; F716-F741 HydrophobicContact CD1-CE1 4.31Å; F716-F741 HydrophobicContact CD1-CE2 4.5Å; F716-F741 AromaticContact CD1-CG 3.81Å; F716-F741 HydrophobicContact CD1-CG 3.81Å; F716-F741 HydrophobicContact CD2-CD2 4.2Å; F716-F741 HydrophobicContact CD2-CE2 4.48Å; F716-F741 HydrophobicContact CE1-CB 3.82Å; F716-F741 HydrophobicContact CE1-CD1 4.36Å; F716-F741 HydrophobicContact CE1-CD2 4.44Å; F716-F741 AromaticContact CE1-CG 3.97Å; F716-F741 HydrophobicContact CE1-CG 3.97Å; F716-F741 HydrophobicContact CG-CD1 4.45Å; F716-F741 AromaticContact CG-CD2 4Å; F716-F741 HydrophobicContact CG-CD2 4Å; F716-F741 HydrophobicContact CG-CE2 4.1Å; F716-F741 HydrophobicContact CG-CG 4.18Å; F716-F741 HydrophobicContact CG-CZ 4.36Å; F716-F741 HydrophobicContact CZ-CB 4.15Å; F716-F741 HydrophobicContact CZ-CG 4.48Å; I737-F741 HydrophobicContact CB-CD2 4.32Å; I737-F741 HydrophobicContact CG1-CD2 4.29Å; I737-F741 HydrophobicContact CG1-CE2 4.37Å; I737-F741 HydrophobicContact CG2-CD2 4.05Å; I737-F741 WeakPolarHBondContact O-CB 3.28Å; I737-F741 WeakPolarHBondContact O-CD2 3.17Å; I737-F741 PolarHBondContact O-N 2.89Å; F741-S744 WeakPolarHBondContact O-CB 3.17Å; F741-S744 PolarHBondContact O-N 3.4Å; F741-S744 PolarHBondContact O-OG 3.44Å; F741-F749 HydrophobicContact CD1-CD1 4.18Å; F741-F749 AromaticContact CD1-CD2 3.8Å; F741-F749 HydrophobicContact CD1-CD2 3.8Å; F741-F749 HydrophobicContact CD1-CE1 4.1Å; F741-F749 AromaticContact CD1-CE2 3.71Å; F741-F749 HydrophobicContact CD1-CE2 3.71Å; F741-F749 HydrophobicContact CD1-CG 4.04Å; F741-F749 AromaticContact CD1-CZ 3.87Å; F741-F749 HydrophobicContact CD1-CZ 3.87Å; F741-F749 HydrophobicContact CE1-CD1 4.23Å; F741-F749 AromaticContact CE1-CE1 3.88Å; F741-F749 HydrophobicContact CE1-CE1 3.88Å; F741-F749 HydrophobicContact CE1-CE2 4.19Å; F741-F749 AromaticContact CE1-CZ 3.86Å; F741-F749 HydrophobicContact CE1-CZ 3.86Å |
| 742 | G | 83.9 | Confident | 88.6 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | -146.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T738 S744 | T738-G742 WeakPolarHBondContact O-CA 3.41Å; T738-G742 PolarHBondContact O-N 2.84Å; G742-S744 PolarHBondContact O-N 3.34Å |
| 743 | D | 78.8 | Confident | 88.8 | Confident | 169 Ų | 169 | 61.8 Ų | 61.8 | 90% | 0.904 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 11.2 | 175.5 | -61.8 | -38.9 | 0 | 0 | 0 | 113.1 | ||
| 744 | S | 85.5 | Confident | 89.1 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | trans | -74.7 | 164.8 | 179.8 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | F716 F741 G742 S748 | F716-S744 VanDerWaalsContact CZ-O 3.24Å; F716-S744 WeakPolarHBondContact CZ-O 3.44Å; F741-S744 WeakPolarHBondContact O-CB 3.17Å; F741-S744 PolarHBondContact O-N 3.4Å; F741-S744 PolarHBondContact O-OG 3.44Å; G742-S744 PolarHBondContact O-N 3.34Å; S744-S748 WeakPolarHBondContact CB-OG 3.46Å | ||
| 745 | N | 87.7 | Confident | 89.6 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | trans | -108.8 | 164.5 | 164.5 | 66.6 | 52.4 | 0 | 0 | 0 | 110.7 | F716 K747 S748 F749 | F716-N745 VanDerWaalsContact CE1-C 3.48Å; N745-K747 PolarHBondContact O-N 3.35Å; N745-K747 VanDerWaalsContact O-N 3.12Å; N745-K747 WeakPolarHBondContact OD1-CB 3.22Å; N745-K747 PolarHBondContact OD1-N 3.34Å; N745-K747 VanDerWaalsContact OD1-N 3.11Å; N745-S748 PolarHBondContact N-OG 3Å; N745-S748 PolarHBondContact O-N 2.96Å; N745-S748 VanDerWaalsContact O-N 3.07Å; N745-S748 PolarHBondContact O-OG 2.89Å; N745-S748 PolarHBondContact OD1-N 3.36Å; N745-S748 PolarHBondContact OD1-OG 3.18Å; N745-F749 WeakPolarHBondContact O-CB 3.42Å; N745-F749 PolarHBondContact O-N 3.1Å | ||
| 746 | A | 89.5 | Confident | 89.9 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.8 | -35.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F716 N750 L774 | F716-A746 HydrophobicContact CD1-CB 3.9Å; F716-A746 HydrophobicContact CE1-CB 4.39Å; F716-A746 VanDerWaalsContact CE1-N 3.34Å; F716-A746 HydrophobicContact CG-CB 4.36Å; A746-N750 WeakPolarHBondContact O-CB 3.47Å; A746-N750 PolarHBondContact O-N 2.84Å; A746-N750 VanDerWaalsContact O-N 3.08Å; A746-L774 HydrophobicContact CB-CD1 4.2Å; A746-L774 HydrophobicContact CB-CD2 3.7Å; A746-L774 WeakPolarHBondContact O-CD1 3.39Å |
| 747 | K | 91.3 | Very high | 90.1 | Very high | 107 Ų | 107 | 62 Ų | 62 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.8 | -49.2 | 176.3 | -67.2 | -169.1 | 179.8 | -168.8 | 0 | 111.5 | N745 F749 N750 Q751 L774 D775 | N745-K747 PolarHBondContact O-N 3.35Å; N745-K747 VanDerWaalsContact O-N 3.12Å; N745-K747 WeakPolarHBondContact OD1-CB 3.22Å; N745-K747 PolarHBondContact OD1-N 3.34Å; N745-K747 VanDerWaalsContact OD1-N 3.11Å; K747-F749 VanDerWaalsContact C-N 3.32Å; K747-F749 PolarHBondContact O-N 3.33Å; K747-N750 PolarHBondContact O-N 2.91Å; K747-Q751 PolarHBondContact O-N 3.37Å; K747-L774 HydrophobicContact CG-CB 4.26Å; K747-L774 HydrophobicContact CG-CD1 4.21Å; K747-D775 IonicContact NZ-OD2 2.69Å; K747-D775 PolarHBondContact NZ-OD2 2.96Å |
| 748 | S | 92.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.8 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | S744 N745 Q751 A752 | S744-S748 WeakPolarHBondContact CB-OG 3.46Å; N745-S748 PolarHBondContact N-OG 3Å; N745-S748 PolarHBondContact O-N 2.96Å; N745-S748 VanDerWaalsContact O-N 3.07Å; N745-S748 PolarHBondContact O-OG 2.89Å; N745-S748 PolarHBondContact OD1-N 3.36Å; N745-S748 PolarHBondContact OD1-OG 3.18Å; S748-Q751 PolarHBondContact O-N 3.19Å; S748-A752 WeakPolarHBondContact O-CB 3.33Å; S748-A752 PolarHBondContact O-N 3.08Å |
| 749 | F | 93.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 175.3 | -178 | -101.5 | 0 | 0 | 0 | 111.5 | H709 L712 V713 F741 N745 K747 Q751 A752 Y753 | H709-F749 AromaticContact CE1-CD1 3.8Å; H709-F749 AromaticContact CE1-CE1 3.59Å; H709-F749 AromaticContact ND1-CE1 3.48Å; H709-F749 WeakPolarHBondContact ND1-CE1 3.48Å; L712-F749 HydrophobicContact CB-CE1 4.17Å; L712-F749 HydrophobicContact CD1-CZ 4.33Å; V713-F749 HydrophobicContact CG2-CD1 4.03Å; V713-F749 HydrophobicContact CG2-CE1 4.36Å; F741-F749 HydrophobicContact CD1-CD1 4.18Å; F741-F749 AromaticContact CD1-CD2 3.8Å; F741-F749 HydrophobicContact CD1-CD2 3.8Å; F741-F749 HydrophobicContact CD1-CE1 4.1Å; F741-F749 AromaticContact CD1-CE2 3.71Å; F741-F749 HydrophobicContact CD1-CE2 3.71Å; F741-F749 HydrophobicContact CD1-CG 4.04Å; F741-F749 AromaticContact CD1-CZ 3.87Å; F741-F749 HydrophobicContact CD1-CZ 3.87Å; F741-F749 HydrophobicContact CE1-CD1 4.23Å; F741-F749 AromaticContact CE1-CE1 3.88Å; F741-F749 HydrophobicContact CE1-CE1 3.88Å; F741-F749 HydrophobicContact CE1-CE2 4.19Å; F741-F749 AromaticContact CE1-CZ 3.86Å; F741-F749 HydrophobicContact CE1-CZ 3.86Å; N745-F749 WeakPolarHBondContact O-CB 3.42Å; N745-F749 PolarHBondContact O-N 3.1Å; K747-F749 VanDerWaalsContact C-N 3.32Å; K747-F749 PolarHBondContact O-N 3.33Å; F749-Q751 PolarHBondContact O-N 2.9Å; F749-A752 PolarHBondContact O-N 2.97Å; F749-Y753 PolarHBondContact O-N 2.56Å; F749-Y753 VanDerWaalsContact O-N 3.08Å |
| 750 | N | 95 | Very high | 91 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.2 | -168.9 | 42 | 0 | 0 | 0 | 112.5 | H709 V713 A746 K747 Y753 L754 A767 M771 L774 | H709-N750 PolarHBondContact NE2-OD1 2.98Å; V713-N750 HydrophobicContact CG2-CB 4.46Å; A746-N750 WeakPolarHBondContact O-CB 3.47Å; A746-N750 PolarHBondContact O-N 2.84Å; A746-N750 VanDerWaalsContact O-N 3.08Å; K747-N750 PolarHBondContact O-N 2.91Å; N750-Y753 PolarHBondContact O-N 3.4Å; N750-L754 PolarHBondContact O-N 3.42Å; N750-A767 PolarHBondContact ND2-O 3.07Å; N750-A767 WeakPolarHBondContact OD1-CA 3.38Å; N750-M771 VanDerWaalsContact ND2-CG 3.3Å; N750-M771 WeakPolarHBondContact ND2-CG 3.23Å; N750-M771 PolarHBondContact ND2-N 3.23Å; N750-L774 HydrophobicContact CB-CD1 4.19Å |
| 751 | Q | 93.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177 | -175.7 | 59.3 | 55.4 | 0 | 0 | 112 | K747 S748 F749 Y753 L754 T755 | K747-Q751 PolarHBondContact O-N 3.37Å; S748-Q751 PolarHBondContact O-N 3.19Å; F749-Q751 PolarHBondContact O-N 2.9Å; Q751-Y753 VanDerWaalsContact C-N 3.34Å; Q751-Y753 PolarHBondContact O-N 3.36Å; Q751-L754 PolarHBondContact O-N 3.29Å; Q751-T755 PolarHBondContact NE2-OG1 3.08Å; Q751-T755 PolarHBondContact O-N 3.26Å; Q751-T755 PolarHBondContact O-OG1 2.96Å |
| 752 | A | 94.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 50% | 0.504 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S748 F749 T755 K756 | S748-A752 WeakPolarHBondContact O-CB 3.33Å; S748-A752 PolarHBondContact O-N 3.08Å; F749-A752 PolarHBondContact O-N 2.97Å; A752-T755 PolarHBondContact O-N 3.26Å; A752-K756 WeakPolarHBondContact O-CB 3.31Å; A752-K756 PolarHBondContact O-N 2.97Å |
| 753 | Y | 94.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 55 Ų | 55 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 174.9 | -177.6 | -90 | 0 | 0 | 0 | 112.1 | D704 P706 H709 F749 N750 Q751 T755 K756 H757 H763 A767 | D704-Y753 PolarHBondContact O-OH 3.15Å; P706-Y753 WeakPolarHBondContact CA-OH 3.45Å; H709-Y753 HydrophobicContact CB-CD2 4.22Å; H709-Y753 HydrophobicContact CB-CE1 4.14Å; H709-Y753 HydrophobicContact CB-CE2 3.73Å; H709-Y753 AromaticContact CD2-CD1 3.46Å; H709-Y753 VanDerWaalsContact CD2-CD1 3.46Å; H709-Y753 WeakPolarHBondContact CD2-CD1 3.49Å; H709-Y753 AromaticContact CD2-CE1 3.62Å; H709-Y753 AromaticContact CD2-CG 3.77Å; H709-Y753 WeakPolarHBondContact CE1-CB 3.15Å; H709-Y753 AromaticContact CE1-CD1 3.94Å; H709-Y753 AromaticContact CE1-CD2 3.91Å; H709-Y753 AromaticContact CE1-CG 3.48Å; H709-Y753 VanDerWaalsContact CE1-CG 3.48Å; H709-Y753 AromaticContact CG-CD1 3.81Å; H709-Y753 AromaticContact CG-CD2 3.74Å; H709-Y753 AromaticContact CG-CE1 3.83Å; H709-Y753 AromaticContact CG-CE2 3.75Å; H709-Y753 AromaticContact CG-CG 3.74Å; H709-Y753 AromaticContact CG-CZ 3.77Å; H709-Y753 AromaticContact ND1-CD2 3.57Å; H709-Y753 AromaticContact ND1-CG 3.61Å; H709-Y753 AromaticContact NE2-CD1 3.54Å; H709-Y753 AromaticContact NE2-CG 3.59Å; F749-Y753 PolarHBondContact O-N 2.56Å; F749-Y753 VanDerWaalsContact O-N 3.08Å; N750-Y753 PolarHBondContact O-N 3.4Å; Q751-Y753 VanDerWaalsContact C-N 3.34Å; Q751-Y753 PolarHBondContact O-N 3.36Å; Y753-T755 PolarHBondContact O-N 3.17Å; Y753-K756 PolarHBondContact O-N 2.85Å; Y753-H757 AromaticContact CD2-CD2 3.81Å; Y753-H757 AromaticContact CE2-CD2 3.65Å; Y753-H757 AromaticContact CE2-NE2 3.99Å; Y753-H757 AromaticContact CZ-CD2 3.88Å; Y753-H757 PolarHBondContact O-N 2.95Å; Y753-H757 VanDerWaalsContact O-N 3.08Å; Y753-H763 HydrophobicContact CE1-CB 3.97Å; Y753-H763 AromaticContact CZ-CD2 3.67Å; Y753-H763 PolarHBondContact OH-CD2 2.95Å; Y753-A767 HydrophobicContact CD1-CB 4.35Å |
| 754 | L | 94.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.8 | 178.9 | 57.7 | 0 | 0 | 0 | 112.4 | N750 Q751 K756 H757 S758 R764 A767 M771 L785 | N750-L754 PolarHBondContact O-N 3.42Å; Q751-L754 PolarHBondContact O-N 3.29Å; L754-K756 VanDerWaalsContact C-N 3.31Å; L754-K756 PolarHBondContact O-N 3.44Å; L754-H757 CarbonylContact O-C 3.35Å; L754-H757 PolarHBondContact O-N 2.86Å; L754-S758 WeakPolarHBondContact O-CA 3.43Å; L754-S758 WeakPolarHBondContact O-CB 3.44Å; L754-S758 PolarHBondContact O-N 3.32Å; L754-S758 VanDerWaalsContact O-N 3.09Å; L754-R764 HydrophobicContact CD1-CG 4.14Å; L754-A767 HydrophobicContact CB-CB 3.99Å; L754-A767 HydrophobicContact CD1-CB 4.02Å; L754-A767 HydrophobicContact CG-CB 4.44Å; L754-M771 HydrophobicContact CD2-SD 4.3Å; L754-L785 HydrophobicContact CD1-CD1 4.13Å; L754-L785 HydrophobicContact CD1-CD2 3.76Å; L754-L785 HydrophobicContact CD1-CG 4.39Å; L754-L785 HydrophobicContact CD2-CD1 4.05Å; L754-L785 HydrophobicContact CD2-CD2 3.56Å; L754-L785 HydrophobicContact CD2-CG 4.47Å; L754-L785 HydrophobicContact CG-CD2 4.32Å |
| 755 | T | 94.8 | Very high | 93.5 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 59% | 0.589 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.7 | -35.2 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 112 | Q751 A752 Y753 | Q751-T755 PolarHBondContact NE2-OG1 3.08Å; Q751-T755 PolarHBondContact O-N 3.26Å; Q751-T755 PolarHBondContact O-OG1 2.96Å; A752-T755 PolarHBondContact O-N 3.26Å; Y753-T755 PolarHBondContact O-N 3.17Å |
| 756 | K | 94.9 | Very high | 93.9 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 54% | 0.543 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 177.4 | -176 | -179.6 | 171 | -166.5 | 0 | 112.6 | D704 A752 Y753 L754 | D704-K756 IonicContact OD1-NZ 2.67Å; D704-K756 PolarHBondContact OD1-NZ 3Å; D704-K756 IonicContact OD2-NZ 3.2Å; D704-K756 PolarHBondContact OD2-NZ 3.34Å; A752-K756 WeakPolarHBondContact O-CB 3.31Å; A752-K756 PolarHBondContact O-N 2.97Å; Y753-K756 PolarHBondContact O-N 2.85Å; L754-K756 VanDerWaalsContact C-N 3.31Å; L754-K756 PolarHBondContact O-N 3.44Å |
| 757 | H | 94.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 11% | 0.111 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 35.7 | -170.4 | -59.6 | -67 | 0 | 0 | 0 | 113 | D704 Y753 L754 D759 S760 H763 | D704-H757 VanDerWaalsContact CG-CE1 3.44Å; D704-H757 IonicContact OD1-CE1 3.39Å; D704-H757 IonicContact OD1-NE2 2.67Å; D704-H757 PolarHBondContact OD1-NE2 3.28Å; D704-H757 IonicContact OD2-CE1 3.75Å; D704-H757 IonicContact OD2-NE2 2.87Å; Y753-H757 AromaticContact CD2-CD2 3.81Å; Y753-H757 AromaticContact CE2-CD2 3.65Å; Y753-H757 AromaticContact CE2-NE2 3.99Å; Y753-H757 AromaticContact CZ-CD2 3.88Å; Y753-H757 PolarHBondContact O-N 2.95Å; Y753-H757 VanDerWaalsContact O-N 3.08Å; L754-H757 CarbonylContact O-C 3.35Å; L754-H757 PolarHBondContact O-N 2.86Å; H757-D759 PolarHBondContact O-N 2.71Å; H757-S760 PolarHBondContact O-N 3.02Å; H757-H763 HydrophobicContact CB-CB 3.53Å; H757-H763 AromaticContact CD2-CD2 3.81Å; H757-H763 AromaticContact CG-CD2 3.61Å; H757-H763 AromaticContact ND1-CD2 3.94Å |
| 758 | S | 92.4 | Very high | 94.3 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.4 | -174.2 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | L754 R764 | L754-S758 WeakPolarHBondContact O-CA 3.43Å; L754-S758 WeakPolarHBondContact O-CB 3.44Å; L754-S758 PolarHBondContact O-N 3.32Å; L754-S758 VanDerWaalsContact O-N 3.09Å; S758-R764 WeakPolarHBondContact O-CD 3.41Å |
| 759 | D | 93.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5 | -179.5 | 67.2 | -37.5 | 0 | 0 | 0 | 113.1 | H757 L793 N794 | H757-D759 PolarHBondContact O-N 2.71Å; D759-L793 CarbonylContact O-C 3.38Å; D759-L793 VanDerWaalsContact O-CA 3.31Å; D759-L793 WeakPolarHBondContact O-CA 3.39Å; D759-N794 PolarHBondContact O-N 3.19Å; D759-N794 PolarHBondContact OD2-ND2 3.43Å |
| 760 | S | 94.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 119.7 | -173.5 | -169.9 | 0 | 0 | 0 | 0 | 113.2 | H757 H763 R764 | H757-S760 PolarHBondContact O-N 3.02Å; S760-H763 VanDerWaalsContact CB-ND1 3.27Å; S760-H763 WeakPolarHBondContact CB-ND1 3.33Å; S760-H763 PolarHBondContact O-N 3.38Å; S760-H763 PolarHBondContact OG-ND1 3.42Å; S760-R764 VanDerWaalsContact O-CG 3.32Å; S760-R764 WeakPolarHBondContact O-CG 2.97Å; S760-R764 PolarHBondContact O-N 3.19Å |
| 761 | I | 93.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | -177.1 | -59.3 | -175.2 | 0 | 0 | 0 | 113 | H763 R764 L765 L793 N794 R796 V804 | I761-H763 VanDerWaalsContact C-N 3.3Å; I761-H763 PolarHBondContact O-N 2.92Å; I761-R764 PolarHBondContact O-N 2.81Å; I761-L765 WeakPolarHBondContact O-CB 3.13Å; I761-L765 PolarHBondContact O-N 3.35Å; I761-L793 HydrophobicContact CD1-CB 4.13Å; I761-L793 HydrophobicContact CD1-CD1 4.19Å; I761-L793 HydrophobicContact CG1-CB 3.85Å; I761-L793 HydrophobicContact CG1-CD1 3.97Å; I761-L793 HydrophobicContact CG1-CG 4.48Å; I761-N794 PolarHBondContact N-O 3.38Å; I761-R796 HydrophobicContact CD1-CB 3.75Å; I761-R796 HydrophobicContact CD1-CG 3.8Å; I761-V804 HydrophobicContact CG2-CG2 4.05Å |
| 762 | P | 94.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -38.3 | 177.7 | -26.4 | 35.7 | 0 | 0 | 0 | 113.7 | P706 L765 A766 N795 T800 | P706-P762 HydrophobicContact CB-CB 4.49Å; P706-P762 HydrophobicContact CG-CB 3.91Å; P762-L765 PolarHBondContact O-N 2.96Å; P762-A766 PolarHBondContact O-N 3.49Å; P762-N795 HydrophobicContact CG-CB 4.16Å; P762-T800 HydrophobicContact CG-CG2 3.78Å |
| 763 | H | 95.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.8 | -41.8 | 180 | -61.6 | 74.3 | 0 | 0 | 0 | 110.8 | D704 Y753 H757 S760 I761 L765 A766 A767 | D704-H763 PolarHBondContact O-CD2 3.3Å; D704-H763 VanDerWaalsContact O-CD2 3.29Å; D704-H763 PolarHBondContact O-NE2 2.9Å; D704-H763 VanDerWaalsContact O-NE2 3.1Å; Y753-H763 HydrophobicContact CE1-CB 3.97Å; Y753-H763 AromaticContact CZ-CD2 3.67Å; Y753-H763 PolarHBondContact OH-CD2 2.95Å; H757-H763 HydrophobicContact CB-CB 3.53Å; H757-H763 AromaticContact CD2-CD2 3.81Å; H757-H763 AromaticContact CG-CD2 3.61Å; H757-H763 AromaticContact ND1-CD2 3.94Å; S760-H763 VanDerWaalsContact CB-ND1 3.27Å; S760-H763 WeakPolarHBondContact CB-ND1 3.33Å; S760-H763 PolarHBondContact O-N 3.38Å; S760-H763 PolarHBondContact OG-ND1 3.42Å; I761-H763 VanDerWaalsContact C-N 3.3Å; I761-H763 PolarHBondContact O-N 2.92Å; H763-L765 PolarHBondContact O-N 3.29Å; H763-A766 PolarHBondContact O-N 3.34Å; H763-A767 WeakPolarHBondContact O-CB 3.5Å; H763-A767 PolarHBondContact O-N 2.89Å |
| 764 | R | 94.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 172.5 | -69.2 | 175.7 | 70.8 | 162.6 | 2.2 | 111.7 | L754 S758 S760 I761 A767 A768 L785 S788 L793 | L754-R764 HydrophobicContact CD1-CG 4.14Å; S758-R764 WeakPolarHBondContact O-CD 3.41Å; S760-R764 VanDerWaalsContact O-CG 3.32Å; S760-R764 WeakPolarHBondContact O-CG 2.97Å; S760-R764 PolarHBondContact O-N 3.19Å; I761-R764 PolarHBondContact O-N 2.81Å; R764-A767 PolarHBondContact O-N 3.25Å; R764-A768 VanDerWaalsContact O-CB 3.3Å; R764-A768 WeakPolarHBondContact O-CB 3.27Å; R764-A768 PolarHBondContact O-N 3.22Å; R764-L785 VanDerWaalsContact CZ-O 3.22Å; R764-L785 PolarHBondContact NE-O 3.17Å; R764-L785 PolarHBondContact NH2-O 3.21Å; R764-S788 PolarHBondContact NH1-OG 2.96Å; R764-S788 VanDerWaalsContact NH1-OG 3.08Å; R764-S788 PolarHBondContact NH2-OG 3.21Å; R764-L793 VanDerWaalsContact NH1-CD1 3.28Å |
| 765 | L | 94.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.8 | 178.8 | 61.5 | 0 | 0 | 0 | 111.7 | I761 P762 H763 A768 K769 A786 E803 V804 C807 L813 | I761-L765 WeakPolarHBondContact O-CB 3.13Å; I761-L765 PolarHBondContact O-N 3.35Å; P762-L765 PolarHBondContact O-N 2.96Å; H763-L765 PolarHBondContact O-N 3.29Å; L765-A768 PolarHBondContact O-N 3.1Å; L765-K769 WeakPolarHBondContact O-CG 3.19Å; L765-K769 PolarHBondContact O-N 2.87Å; L765-A786 HydrophobicContact CD1-CB 4.03Å; L765-E803 HydrophobicContact CD2-CB 4.38Å; L765-V804 HydrophobicContact CB-CG2 4.48Å; L765-V804 HydrophobicContact CD1-CG2 4.23Å; L765-V804 HydrophobicContact CD2-CG2 3.92Å; L765-V804 HydrophobicContact CG-CG2 4.43Å; L765-C807 HydrophobicContact CD1-CB 4.08Å; L765-L813 HydrophobicContact CD1-CD1 4.17Å |
| 766 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P706 Q710 P762 H763 K769 M770 | P706-A766 HydrophobicContact CB-CB 3.73Å; P706-A766 WeakPolarHBondContact O-CB 3.41Å; Q710-A766 HydrophobicContact CG-CB 3.99Å; P762-A766 PolarHBondContact O-N 3.49Å; H763-A766 PolarHBondContact O-N 3.34Å; A766-K769 PolarHBondContact O-N 3.35Å; A766-M770 WeakPolarHBondContact O-CG 3.47Å; A766-M770 PolarHBondContact O-N 3.12Å; A766-M770 VanDerWaalsContact O-N 3.15Å |
| 767 | A | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N750 Y753 L754 H763 R764 M770 M771 | N750-A767 PolarHBondContact ND2-O 3.07Å; N750-A767 WeakPolarHBondContact OD1-CA 3.38Å; Y753-A767 HydrophobicContact CD1-CB 4.35Å; L754-A767 HydrophobicContact CB-CB 3.99Å; L754-A767 HydrophobicContact CD1-CB 4.02Å; L754-A767 HydrophobicContact CG-CB 4.44Å; H763-A767 WeakPolarHBondContact O-CB 3.5Å; H763-A767 PolarHBondContact O-N 2.89Å; R764-A767 PolarHBondContact O-N 3.25Å; A767-M770 CarbonylContact O-C 3.28Å; A767-M770 PolarHBondContact O-N 3.17Å; A767-M771 VanDerWaalsContact O-CG 3.29Å; A767-M771 WeakPolarHBondContact O-CG 3.42Å; A767-M771 PolarHBondContact O-N 2.81Å |
| 768 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R764 L765 M770 M771 V772 A782 L785 A786 L813 | R764-A768 VanDerWaalsContact O-CB 3.3Å; R764-A768 WeakPolarHBondContact O-CB 3.27Å; R764-A768 PolarHBondContact O-N 3.22Å; L765-A768 PolarHBondContact O-N 3.1Å; A768-M770 VanDerWaalsContact C-N 3.27Å; A768-M770 PolarHBondContact O-N 3.31Å; A768-M771 WeakPolarHBondContact O-CB 3.45Å; A768-M771 PolarHBondContact O-N 3.43Å; A768-M771 VanDerWaalsContact O-N 3.12Å; A768-V772 PolarHBondContact O-N 2.95Å; A768-A782 HydrophobicContact CB-CB 4.12Å; A768-A782 WeakPolarHBondContact CB-O 3.46Å; A768-L785 HydrophobicContact CB-CD2 4.15Å; A768-A786 HydrophobicContact CB-CB 4.18Å; A768-L813 HydrophobicContact CB-CD2 3.87Å |
| 769 | K | 93.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.1 | -43.7 | 174.7 | -73.4 | 176.7 | 178.5 | -177.1 | 0 | 111.8 | L765 A766 V772 Y773 C807 L813 | L765-K769 WeakPolarHBondContact O-CG 3.19Å; L765-K769 PolarHBondContact O-N 2.87Å; A766-K769 PolarHBondContact O-N 3.35Å; K769-V772 PolarHBondContact O-N 3.24Å; K769-Y773 WeakPolarHBondContact O-CB 3.4Å; K769-Y773 PolarHBondContact O-N 2.79Å; K769-C807 WeakPolarHBondContact CE-SG 3.37Å; K769-C807 PolarHBondContact NZ-SG 3.15Å; K769-L813 HydrophobicContact CG-CD2 4.17Å |
| 770 | M | 95.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73 | -27.5 | 179.5 | -67.8 | -54.9 | 94.1 | 0 | 0 | 113 | Q710 V713 R714 A766 A767 A768 Y773 L774 | Q710-M770 HydrophobicContact CB-CE 4.04Å; Q710-M770 HydrophobicContact CB-CG 4.32Å; Q710-M770 HydrophobicContact CB-SD 4.03Å; Q710-M770 HydrophobicContact CG-CE 3.96Å; Q710-M770 HydrophobicContact CG-CG 3.97Å; Q710-M770 HydrophobicContact CG-SD 4.21Å; V713-M770 HydrophobicContact CB-CB 4.34Å; V713-M770 HydrophobicContact CB-CG 3.93Å; V713-M770 HydrophobicContact CB-SD 3.75Å; V713-M770 HydrophobicContact CG1-CB 4.07Å; V713-M770 HydrophobicContact CG1-CG 4.11Å; V713-M770 HydrophobicContact CG1-SD 3.84Å; V713-M770 HydrophobicContact CG2-CB 4.29Å; V713-M770 HydrophobicContact CG2-CG 4.07Å; R714-M770 HydrophobicContact CG-SD 4.22Å; A766-M770 WeakPolarHBondContact O-CG 3.47Å; A766-M770 PolarHBondContact O-N 3.12Å; A766-M770 VanDerWaalsContact O-N 3.15Å; A767-M770 CarbonylContact O-C 3.28Å; A767-M770 PolarHBondContact O-N 3.17Å; A768-M770 VanDerWaalsContact C-N 3.27Å; A768-M770 PolarHBondContact O-N 3.31Å; M770-Y773 HydrophobicContact SD-CD1 4.42Å; M770-L774 WeakPolarHBondContact O-CB 3.46Å; M770-L774 WeakPolarHBondContact O-CG 3.48Å; M770-L774 PolarHBondContact O-N 3.19Å |
| 771 | M | 93.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -51.7 | 171.4 | -73.1 | 172.9 | 59.3 | 0 | 0 | 110.3 | N750 L754 A767 A768 Y773 L774 D775 T778 K781 A782 L785 | N750-M771 VanDerWaalsContact ND2-CG 3.3Å; N750-M771 WeakPolarHBondContact ND2-CG 3.23Å; N750-M771 PolarHBondContact ND2-N 3.23Å; L754-M771 HydrophobicContact CD2-SD 4.3Å; A767-M771 VanDerWaalsContact O-CG 3.29Å; A767-M771 WeakPolarHBondContact O-CG 3.42Å; A767-M771 PolarHBondContact O-N 2.81Å; A768-M771 WeakPolarHBondContact O-CB 3.45Å; A768-M771 PolarHBondContact O-N 3.43Å; A768-M771 VanDerWaalsContact O-N 3.12Å; M771-Y773 PolarHBondContact O-N 3.02Å; M771-L774 PolarHBondContact O-N 3.02Å; M771-D775 PolarHBondContact O-N 2.89Å; M771-T778 PolarHBondContact O-OG1 3.43Å; M771-K781 HydrophobicContact CE-CD 3.99Å; M771-K781 HydrophobicContact CE-CG 4.11Å; M771-A782 HydrophobicContact CB-CB 4.42Å; M771-L785 HydrophobicContact SD-CD2 3.98Å |
| 772 | V | 92.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | A768 K769 L774 D775 S776 E779 A782 L813 | A768-V772 PolarHBondContact O-N 2.95Å; K769-V772 PolarHBondContact O-N 3.24Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.32Å; V772-D775 CarbonylContact O-C 3.31Å; V772-D775 PolarHBondContact O-N 2.84Å; V772-S776 PolarHBondContact O-N 3.39Å; V772-E779 HydrophobicContact CG1-CG 3.83Å; V772-E779 HydrophobicContact CG2-CG 4.21Å; V772-A782 HydrophobicContact CG2-CB 3.47Å; V772-A782 VanDerWaalsContact CG2-CB 3.47Å; V772-L813 HydrophobicContact CG2-CD2 4.46Å |
| 773 | Y | 91.7 | Very high | 91.2 | Very high | 85 Ų | 85 | 39.5 Ų | 39.5 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 178.4 | 179.3 | -100.9 | 0 | 0 | 0 | 114 | R714 K717 K769 M770 M771 | R714-Y773 HydrophobicContact CB-CE1 4.47Å; R714-Y773 HydrophobicContact CG-CD1 4.25Å; R714-Y773 HydrophobicContact CG-CE1 3.78Å; R714-Y773 HydrophobicContact CG-CE2 4.49Å; K717-Y773 HydrophobicContact CB-CE1 4.28Å; K717-Y773 HydrophobicContact CD-CD1 4.11Å; K717-Y773 HydrophobicContact CD-CE1 3.34Å; K717-Y773 HydrophobicContact CG-CE1 4.42Å; K717-Y773 PolarHBondContact NZ-O 3.08Å; K769-Y773 WeakPolarHBondContact O-CB 3.4Å; K769-Y773 PolarHBondContact O-N 2.79Å; M770-Y773 HydrophobicContact SD-CD1 4.42Å; M771-Y773 PolarHBondContact O-N 3.02Å |
| 774 | L | 91.9 | Very high | 90.8 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -86.8 | -28.6 | 177.8 | -68.5 | 172.1 | 0 | 0 | 0 | 112.7 | V713 K717 A746 K747 N750 M770 M771 V772 | V713-L774 HydrophobicContact CG1-CD1 3.76Å; V713-L774 HydrophobicContact CG1-CD2 3.93Å; V713-L774 HydrophobicContact CG1-CG 3.92Å; K717-L774 HydrophobicContact CB-CD2 4.42Å; K717-L774 HydrophobicContact CD-CD2 4.14Å; K717-L774 HydrophobicContact CG-CD2 4.48Å; A746-L774 HydrophobicContact CB-CD1 4.2Å; A746-L774 HydrophobicContact CB-CD2 3.7Å; A746-L774 WeakPolarHBondContact O-CD1 3.39Å; K747-L774 HydrophobicContact CG-CB 4.26Å; K747-L774 HydrophobicContact CG-CD1 4.21Å; N750-L774 HydrophobicContact CB-CD1 4.19Å; M770-L774 WeakPolarHBondContact O-CB 3.46Å; M770-L774 WeakPolarHBondContact O-CG 3.48Å; M770-L774 PolarHBondContact O-N 3.19Å; M771-L774 PolarHBondContact O-N 3.02Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.32Å |
| 775 | D | 89.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | trans | -155.7 | 102.8 | -175.9 | -163.2 | -24.7 | 0 | 0 | 0 | 111.6 | K747 M771 V772 S777 T778 | K747-D775 IonicContact NZ-OD2 2.69Å; K747-D775 PolarHBondContact NZ-OD2 2.96Å; M771-D775 PolarHBondContact O-N 2.89Å; V772-D775 CarbonylContact O-C 3.31Å; V772-D775 PolarHBondContact O-N 2.84Å; D775-S777 PolarHBondContact O-N 3.29Å; D775-S777 VanDerWaalsContact O-N 3.14Å; D775-S777 WeakPolarHBondContact OD1-CB 3.47Å; D775-S777 PolarHBondContact OD1-N 3.45Å; D775-S777 VanDerWaalsContact OD1-N 3.13Å; D775-S777 PolarHBondContact OD1-OG 2.99Å; D775-T778 HydrophobicContact CB-CG2 4.01Å; D775-T778 PolarHBondContact O-N 3.38Å; D775-T778 VanDerWaalsContact O-N 3.09Å; D775-T778 PolarHBondContact O-OG1 3.46Å | ||
| 776 | S | 85.5 | Confident | 90.3 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -65.1 | -16 | -179.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | V772 T778 E779 | V772-S776 PolarHBondContact O-N 3.39Å; S776-T778 PolarHBondContact O-N 3.28Å; S776-E779 WeakPolarHBondContact O-CG 3.33Å |
| 777 | S | 87.9 | Confident | 89.9 | Confident | 92 Ų | 92 | 45 Ų | 45 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -71.3 | -8.6 | 174.2 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | D775 | D775-S777 PolarHBondContact O-N 3.29Å; D775-S777 VanDerWaalsContact O-N 3.14Å; D775-S777 WeakPolarHBondContact OD1-CB 3.47Å; D775-S777 PolarHBondContact OD1-N 3.45Å; D775-S777 VanDerWaalsContact OD1-N 3.13Å; D775-S777 PolarHBondContact OD1-OG 2.99Å |
| 778 | T | 87.2 | Confident | 89.6 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -99.4 | 9.9 | -175.5 | 66.8 | 0 | 0 | 0 | 0 | 114.8 | M771 D775 S776 T780 K781 A782 | M771-T778 PolarHBondContact O-OG1 3.43Å; D775-T778 HydrophobicContact CB-CG2 4.01Å; D775-T778 PolarHBondContact O-N 3.38Å; D775-T778 VanDerWaalsContact O-N 3.09Å; D775-T778 PolarHBondContact O-OG1 3.46Å; S776-T778 PolarHBondContact O-N 3.28Å; T778-T780 PolarHBondContact O-N 3.44Å; T778-K781 PolarHBondContact O-N 2.96Å; T778-A782 WeakPolarHBondContact O-CB 3.2Å; T778-A782 PolarHBondContact O-N 2.91Å |
| 779 | E | 86.4 | Confident | 89.4 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52 | -51.3 | -177.2 | -75.9 | 172.5 | -165.8 | 0 | 0 | 113.6 | V772 S776 K781 A782 A783 | V772-E779 HydrophobicContact CG1-CG 3.83Å; V772-E779 HydrophobicContact CG2-CG 4.21Å; S776-E779 WeakPolarHBondContact O-CG 3.33Å; E779-K781 PolarHBondContact O-N 3.19Å; E779-A782 PolarHBondContact O-N 3.36Å; E779-A783 PolarHBondContact O-N 3.08Å |
| 780 | T | 85 | Confident | 89.2 | Confident | 91 Ų | 91 | 49.7 Ų | 49.7 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.9 | -47.8 | -179.8 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | T778 A782 A783 E784 | T778-T780 PolarHBondContact O-N 3.44Å; T780-A782 VanDerWaalsContact C-N 3.31Å; T780-A782 PolarHBondContact O-N 3.46Å; T780-A783 PolarHBondContact O-N 3.42Å; T780-E784 WeakPolarHBondContact O-CG 3.38Å; T780-E784 PolarHBondContact O-N 3.34Å |
| 781 | K | 88.2 | Confident | 88.7 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 177.3 | -173.6 | 178.9 | 179.6 | -178.7 | 0 | 112.1 | M771 T778 E779 L785 | M771-K781 HydrophobicContact CE-CD 3.99Å; M771-K781 HydrophobicContact CE-CG 4.11Å; T778-K781 PolarHBondContact O-N 2.96Å; E779-K781 PolarHBondContact O-N 3.19Å; K781-L785 VanDerWaalsContact O-CB 3.3Å; K781-L785 WeakPolarHBondContact O-CB 3.48Å; K781-L785 PolarHBondContact O-N 3.12Å |
| 782 | A | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | A768 M771 V772 T778 E779 T780 L785 A786 L813 | A768-A782 HydrophobicContact CB-CB 4.12Å; A768-A782 WeakPolarHBondContact CB-O 3.46Å; M771-A782 HydrophobicContact CB-CB 4.42Å; V772-A782 HydrophobicContact CG2-CB 3.47Å; V772-A782 VanDerWaalsContact CG2-CB 3.47Å; T778-A782 WeakPolarHBondContact O-CB 3.2Å; T778-A782 PolarHBondContact O-N 2.91Å; E779-A782 PolarHBondContact O-N 3.36Å; T780-A782 VanDerWaalsContact C-N 3.31Å; T780-A782 PolarHBondContact O-N 3.46Å; A782-L785 PolarHBondContact O-N 3.07Å; A782-A786 WeakPolarHBondContact O-CB 3.35Å; A782-A786 PolarHBondContact O-N 3.49Å; A782-L813 HydrophobicContact CB-CD2 4.38Å |
| 783 | A | 87.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E779 T780 L785 A786 A787 L808 C816 | E779-A783 PolarHBondContact O-N 3.08Å; T780-A783 PolarHBondContact O-N 3.42Å; A783-L785 VanDerWaalsContact C-N 3.33Å; A783-L785 PolarHBondContact O-N 2.72Å; A783-A786 PolarHBondContact O-N 3.27Å; A783-A787 WeakPolarHBondContact O-CB 3.28Å; A783-A787 PolarHBondContact O-N 3.11Å; A783-L808 HydrophobicContact CB-CD2 3.98Å; A783-C816 HydrophobicContact CB-CB 4.49Å |
| 784 | E | 87.9 | Confident | 88.2 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 174.8 | -72 | 173.7 | 179.7 | 0 | 0 | 112.1 | T780 A786 A787 | T780-E784 WeakPolarHBondContact O-CG 3.38Å; T780-E784 PolarHBondContact O-N 3.34Å; E784-A786 VanDerWaalsContact C-N 3.33Å; E784-A786 PolarHBondContact O-N 2.86Å; E784-A787 PolarHBondContact O-N 2.82Å |
| 785 | L | 89.7 | Confident | 88 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 178.1 | -174.8 | 78.1 | 0 | 0 | 0 | 111.8 | L754 R764 A768 M771 K781 A782 A783 | L754-L785 HydrophobicContact CD1-CD1 4.13Å; L754-L785 HydrophobicContact CD1-CD2 3.76Å; L754-L785 HydrophobicContact CD1-CG 4.39Å; L754-L785 HydrophobicContact CD2-CD1 4.05Å; L754-L785 HydrophobicContact CD2-CD2 3.56Å; L754-L785 HydrophobicContact CD2-CG 4.47Å; L754-L785 HydrophobicContact CG-CD2 4.32Å; R764-L785 VanDerWaalsContact CZ-O 3.22Å; R764-L785 PolarHBondContact NE-O 3.17Å; R764-L785 PolarHBondContact NH2-O 3.21Å; A768-L785 HydrophobicContact CB-CD2 4.15Å; M771-L785 HydrophobicContact SD-CD2 3.98Å; K781-L785 VanDerWaalsContact O-CB 3.3Å; K781-L785 WeakPolarHBondContact O-CB 3.48Å; K781-L785 PolarHBondContact O-N 3.12Å; A782-L785 PolarHBondContact O-N 3.07Å; A783-L785 VanDerWaalsContact C-N 3.33Å; A783-L785 PolarHBondContact O-N 2.72Å |
| 786 | A | 88.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.6 | -31.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L765 A768 A782 A783 E784 S788 V804 L813 | L765-A786 HydrophobicContact CD1-CB 4.03Å; A768-A786 HydrophobicContact CB-CB 4.18Å; A782-A786 WeakPolarHBondContact O-CB 3.35Å; A782-A786 PolarHBondContact O-N 3.49Å; A783-A786 PolarHBondContact O-N 3.27Å; E784-A786 VanDerWaalsContact C-N 3.33Å; E784-A786 PolarHBondContact O-N 2.86Å; A786-S788 PolarHBondContact O-N 3.28Å; A786-V804 HydrophobicContact CB-CG1 4.28Å; A786-V804 WeakPolarHBondContact O-CG1 3.28Å; A786-L813 HydrophobicContact CB-CD1 3.97Å |
| 787 | A | 88.6 | Confident | 88.3 | Confident | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85.5 | 0.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A783 E784 Y823 | A783-A787 WeakPolarHBondContact O-CB 3.28Å; A783-A787 PolarHBondContact O-N 3.11Å; E784-A787 PolarHBondContact O-N 2.82Å; A787-Y823 HydrophobicContact CB-CD2 3.65Å; A787-Y823 HydrophobicContact CB-CE2 4.16Å; A787-Y823 HydrophobicContact CB-CG 4.31Å; A787-Y823 VanDerWaalsContact O-CD2 3.25Å; A787-Y823 WeakPolarHBondContact O-CD2 3.46Å; A787-Y823 VanDerWaalsContact O-CE2 3.26Å; A787-Y823 WeakPolarHBondContact O-CE2 3.34Å |
| 788 | S | 88.8 | Confident | 88.5 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 32% | 0.317 | C | S | . | . | trans | -70.7 | 132.9 | 177.4 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | R764 A786 D790 L793 | R764-S788 PolarHBondContact NH1-OG 2.96Å; R764-S788 VanDerWaalsContact NH1-OG 3.08Å; R764-S788 PolarHBondContact NH2-OG 3.21Å; A786-S788 PolarHBondContact O-N 3.28Å; S788-D790 PolarHBondContact OG-OD2 3.32Å; S788-L793 WeakPolarHBondContact O-CD1 3.49Å; S788-L793 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 789 | L | 89.4 | Confident | 88.7 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | trans | -120 | 20.4 | -175.4 | -68.6 | 171.9 | 0 | 0 | 0 | 113.1 | R796 Y823 E826 L830 | L789-R796 PolarHBondContact O-NH1 3.24Å; L789-Y823 HydrophobicContact CD1-CD2 4.13Å; L789-Y823 HydrophobicContact CD1-CE2 3.84Å; L789-Y823 HydrophobicContact CD2-CE2 3.66Å; L789-Y823 HydrophobicContact CG-CD2 4.32Å; L789-Y823 HydrophobicContact CG-CE2 3.66Å; L789-E826 HydrophobicContact CD1-CB 3.81Å; L789-L830 HydrophobicContact CB-CD1 4.27Å; L789-L830 HydrophobicContact CD1-CD1 4.2Å | ||
| 790 | D | 88.9 | Confident | 89 | Confident | 96 Ų | 96 | 63.1 Ų | 63.1 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | trans | -54.9 | 142.6 | -176.3 | -63.7 | -49.1 | 0 | 0 | 0 | 112.2 | S788 S792 L793 | S788-D790 PolarHBondContact OG-OD2 3.32Å; D790-S792 PolarHBondContact O-N 3.46Å; D790-L793 HydrophobicContact CB-CD1 4.18Å; D790-L793 HydrophobicContact CB-CG 4.11Å; D790-L793 WeakPolarHBondContact O-CB 3.48Å; D790-L793 WeakPolarHBondContact O-CG 3.29Å; D790-L793 PolarHBondContact O-N 3.45Å | ||
| 791 | E | 85.6 | Confident | 89.5 | Confident | 169 Ų | 169 | 58.8 Ų | 58.8 | 79% | 0.79 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.8 | -178.6 | -64.5 | -167.1 | 158.1 | 0 | 0 | 113.6 | L793 | E791-L793 PolarHBondContact O-N 3.46Š|
| 792 | S | 88.8 | Confident | 89.7 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.5 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | D790 | D790-S792 PolarHBondContact O-N 3.46Š|
| 793 | L | 89.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | trans | -84.3 | 126.9 | -176.4 | -58.8 | 174.1 | 0 | 0 | 0 | 112.6 | D759 I761 R764 S788 D790 E791 | D759-L793 CarbonylContact O-C 3.38Å; D759-L793 VanDerWaalsContact O-CA 3.31Å; D759-L793 WeakPolarHBondContact O-CA 3.39Å; I761-L793 HydrophobicContact CD1-CB 4.13Å; I761-L793 HydrophobicContact CD1-CD1 4.19Å; I761-L793 HydrophobicContact CG1-CB 3.85Å; I761-L793 HydrophobicContact CG1-CD1 3.97Å; I761-L793 HydrophobicContact CG1-CG 4.48Å; R764-L793 VanDerWaalsContact NH1-CD1 3.28Å; S788-L793 WeakPolarHBondContact O-CD1 3.49Å; S788-L793 WeakPolarHBondContact OG-CD1 3.31Å; D790-L793 HydrophobicContact CB-CD1 4.18Å; D790-L793 HydrophobicContact CB-CG 4.11Å; D790-L793 WeakPolarHBondContact O-CB 3.48Å; D790-L793 WeakPolarHBondContact O-CG 3.29Å; D790-L793 PolarHBondContact O-N 3.45Å; E791-L793 PolarHBondContact O-N 3.46Å | ||
| 794 | N | 89.6 | Confident | 90.2 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 148.7 | 174.4 | -69.6 | -38.4 | 0 | 0 | 0 | 111.4 | D759 I761 R796 | D759-N794 PolarHBondContact O-N 3.19Å; D759-N794 PolarHBondContact OD2-ND2 3.43Å; I761-N794 PolarHBondContact N-O 3.38Å; N794-R796 VanDerWaalsContact C-N 3.29Å; N794-R796 PolarHBondContact O-N 2.92Å |
| 795 | N | 87.9 | Confident | 90.4 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 33.8 | -178 | -63.2 | -48.6 | 0 | 0 | 0 | 114.3 | P762 T797 T800 | P762-N795 HydrophobicContact CG-CB 4.16Å; N795-T797 VanDerWaalsContact C-N 3.31Å; N795-T797 PolarHBondContact O-N 2.81Å; N795-T800 PolarHBondContact O-OG1 3.34Å |
| 796 | R | 91 | Very high | 90.5 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | trans | -73.2 | 84.9 | 167 | -166.4 | -177.5 | 71.3 | 179.5 | -0.7 | 110.3 | I761 L789 N794 Y831 | I761-R796 HydrophobicContact CD1-CB 3.75Å; I761-R796 HydrophobicContact CD1-CG 3.8Å; L789-R796 PolarHBondContact O-NH1 3.24Å; N794-R796 VanDerWaalsContact C-N 3.29Å; N794-R796 PolarHBondContact O-N 2.92Å; R796-Y831 PolarHBondContact O-OH 2.68Å | ||
| 797 | T | 90.8 | Very high | 90.5 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | trans | -119 | 162.8 | -178.8 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | N795 Q799 T800 C801 | N795-T797 VanDerWaalsContact C-N 3.31Å; N795-T797 PolarHBondContact O-N 2.81Å; T797-Q799 VanDerWaalsContact C-N 3.26Å; T797-Q799 PolarHBondContact O-N 2.71Å; T797-T800 PolarHBondContact N-OG1 3.45Å; T797-T800 PolarHBondContact O-N 3.44Å; T797-T800 PolarHBondContact O-OG1 2.9Å; T797-T800 WeakPolarHBondContact OG1-CG2 3.34Å; T797-T800 PolarHBondContact OG1-N 2.9Å; T797-T800 PolarHBondContact OG1-OG1 3.48Å; T797-C801 WeakPolarHBondContact O-CB 3.45Å; T797-C801 PolarHBondContact O-N 3.3Å; T797-C801 PolarHBondContact O-SG 2.78Å | ||
| 798 | I | 91.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.3 | -44.4 | 174.5 | -68.6 | 162.8 | 0 | 0 | 0 | 110.9 | H420 C801 T802 Y831 T834 | H420-I798 WeakPolarHBondContact O-CD1 3.31Å; I798-C801 PolarHBondContact O-N 3.35Å; I798-T802 WeakPolarHBondContact O-CB 3.36Å; I798-T802 PolarHBondContact O-N 3.13Å; I798-T802 PolarHBondContact O-OG1 2.79Å; I798-Y831 HydrophobicContact CD1-CD1 3.96Å; I798-Y831 HydrophobicContact CD1-CE1 4.45Å; I798-Y831 HydrophobicContact CD1-CG 4.38Å; I798-Y831 HydrophobicContact CG1-CD1 3.49Å; I798-Y831 VanDerWaalsContact CG1-CD1 3.49Å; I798-Y831 HydrophobicContact CG1-CD2 4.12Å; I798-Y831 HydrophobicContact CG1-CE1 3.76Å; I798-Y831 HydrophobicContact CG1-CE2 4.34Å; I798-Y831 HydrophobicContact CG1-CG 3.68Å; I798-T834 HydrophobicContact CG2-CG2 3.87Å |
| 799 | Q | 91.4 | Very high | 90.6 | Very high | 152 Ų | 152 | 60.6 Ų | 60.6 | 71% | 0.71 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.1 | -51.8 | -178.1 | -68.1 | 168.2 | -3.7 | 0 | 0 | 111.8 | T797 C801 T802 E803 | T797-Q799 VanDerWaalsContact C-N 3.26Å; T797-Q799 PolarHBondContact O-N 2.71Å; Q799-C801 VanDerWaalsContact C-N 3.34Å; Q799-C801 PolarHBondContact O-N 2.98Å; Q799-T802 PolarHBondContact O-N 3.15Å; Q799-E803 WeakPolarHBondContact O-CG 3.24Å; Q799-E803 PolarHBondContact O-N 3.04Å |
| 800 | T | 92.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 179.8 | 52 | 0 | 0 | 0 | 0 | 111.6 | P762 N795 T797 E803 V804 | P762-T800 HydrophobicContact CG-CG2 3.78Å; N795-T800 PolarHBondContact O-OG1 3.34Å; T797-T800 PolarHBondContact N-OG1 3.45Å; T797-T800 PolarHBondContact O-N 3.44Å; T797-T800 PolarHBondContact O-OG1 2.9Å; T797-T800 WeakPolarHBondContact OG1-CG2 3.34Å; T797-T800 PolarHBondContact OG1-N 2.9Å; T797-T800 PolarHBondContact OG1-OG1 3.48Å; T800-E803 PolarHBondContact O-N 3.24Å; T800-V804 WeakPolarHBondContact O-CG2 3.45Å; T800-V804 PolarHBondContact O-N 3.22Å |
| 801 | C | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 178 | -67.1 | 0 | 0 | 0 | 0 | 112 | T797 I798 Q799 V804 L805 Y831 F837 | T797-C801 WeakPolarHBondContact O-CB 3.45Å; T797-C801 PolarHBondContact O-N 3.3Å; T797-C801 PolarHBondContact O-SG 2.78Å; I798-C801 PolarHBondContact O-N 3.35Å; Q799-C801 VanDerWaalsContact C-N 3.34Å; Q799-C801 PolarHBondContact O-N 2.98Å; C801-V804 PolarHBondContact O-N 3.35Å; C801-L805 PolarHBondContact O-N 2.95Å; C801-Y831 HydrophobicContact CB-CE2 4.41Å; C801-F837 HydrophobicContact CB-CE2 4.42Å; C801-F837 HydrophobicContact CB-CZ 3.74Å |
| 802 | T | 93.9 | Very high | 89.7 | Confident | 32 Ų | 32 | 55 Ų | 55 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 172 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | I798 Q799 V804 L805 D806 A836 | I798-T802 WeakPolarHBondContact O-CB 3.36Å; I798-T802 PolarHBondContact O-N 3.13Å; I798-T802 PolarHBondContact O-OG1 2.79Å; Q799-T802 PolarHBondContact O-N 3.15Å; T802-V804 VanDerWaalsContact C-N 3.35Å; T802-V804 PolarHBondContact O-N 3Å; T802-L805 WeakPolarHBondContact O-CB 3.33Å; T802-L805 PolarHBondContact O-N 3.35Å; T802-D806 PolarHBondContact O-N 2.91Å; T802-A836 HydrophobicContact CG2-CB 4.08Å |
| 803 | E | 92.5 | Very high | 89.5 | Confident | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.5 | -73.9 | 175.8 | -169.3 | 0 | 0 | 112.6 | L765 Q799 T800 D806 C807 | L765-E803 HydrophobicContact CD2-CB 4.38Å; Q799-E803 WeakPolarHBondContact O-CG 3.24Å; Q799-E803 PolarHBondContact O-N 3.04Å; T800-E803 PolarHBondContact O-N 3.24Å; E803-D806 PolarHBondContact O-N 3.15Å; E803-C807 WeakPolarHBondContact O-CB 3.5Å; E803-C807 PolarHBondContact O-N 3.01Å; E803-C807 PolarHBondContact O-SG 3.14Å |
| 804 | V | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 174 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | I761 L765 A786 T800 C801 T802 D806 C807 L808 Y823 | I761-V804 HydrophobicContact CG2-CG2 4.05Å; L765-V804 HydrophobicContact CB-CG2 4.48Å; L765-V804 HydrophobicContact CD1-CG2 4.23Å; L765-V804 HydrophobicContact CD2-CG2 3.92Å; L765-V804 HydrophobicContact CG-CG2 4.43Å; A786-V804 HydrophobicContact CB-CG1 4.28Å; A786-V804 WeakPolarHBondContact O-CG1 3.28Å; T800-V804 WeakPolarHBondContact O-CG2 3.45Å; T800-V804 PolarHBondContact O-N 3.22Å; C801-V804 PolarHBondContact O-N 3.35Å; T802-V804 VanDerWaalsContact C-N 3.35Å; T802-V804 PolarHBondContact O-N 3Å; V804-D806 VanDerWaalsContact C-N 3.34Å; V804-D806 PolarHBondContact O-N 3.46Å; V804-C807 WeakPolarHBondContact O-CB 3.4Å; V804-C807 PolarHBondContact O-N 2.83Å; V804-C807 VanDerWaalsContact O-N 3.15Å; V804-L808 HydrophobicContact CG1-CD1 4.04Å; V804-L808 HydrophobicContact CG1-CG 4.47Å; V804-L808 WeakPolarHBondContact O-CG 3.43Å; V804-L808 PolarHBondContact O-N 2.96Å; V804-Y823 HydrophobicContact CB-CE1 3.93Å; V804-Y823 HydrophobicContact CG1-CD1 4.31Å; V804-Y823 HydrophobicContact CG1-CE1 3.63Å; V804-Y823 HydrophobicContact CG1-CE2 4.16Å |
| 805 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 178.7 | -179.8 | 61.4 | 0 | 0 | 0 | 111.9 | C801 T802 C807 L808 R809 A820 Y823 R824 A836 F837 | C801-L805 PolarHBondContact O-N 2.95Å; T802-L805 WeakPolarHBondContact O-CB 3.33Å; T802-L805 PolarHBondContact O-N 3.35Å; L805-C807 VanDerWaalsContact C-N 3.31Å; L805-C807 PolarHBondContact O-N 3.3Å; L805-L808 PolarHBondContact O-N 3.19Å; L805-R809 HydrophobicContact CD1-CG 4.45Å; L805-R809 WeakPolarHBondContact O-CB 3.15Å; L805-R809 WeakPolarHBondContact O-CG 3.45Å; L805-R809 PolarHBondContact O-N 2.83Å; L805-A820 HydrophobicContact CD1-CB 4.26Å; L805-A820 WeakPolarHBondContact CD1-O 3Å; L805-Y823 HydrophobicContact CB-CD1 4.22Å; L805-Y823 HydrophobicContact CB-CE1 4.19Å; L805-Y823 HydrophobicContact CD1-CD1 4.29Å; L805-R824 HydrophobicContact CD1-CB 4.2Å; L805-R824 HydrophobicContact CD2-CB 4.4Å; L805-R824 HydrophobicContact CD2-CG 4.33Å; L805-A836 WeakPolarHBondContact CD2-O 3.47Å; L805-F837 HydrophobicContact CB-CE1 4.45Å; L805-F837 HydrophobicContact CD2-CD1 3.76Å; L805-F837 HydrophobicContact CD2-CE1 3.85Å |
| 806 | D | 90.8 | Very high | 87.8 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.4 | -70.4 | -19.1 | 0 | 0 | 0 | 111.7 | T802 E803 V804 R809 S810 | T802-D806 PolarHBondContact O-N 2.91Å; E803-D806 PolarHBondContact O-N 3.15Å; V804-D806 VanDerWaalsContact C-N 3.34Å; V804-D806 PolarHBondContact O-N 3.46Å; D806-R809 PolarHBondContact O-N 3.48Å; D806-S810 WeakPolarHBondContact O-CB 3.46Å; D806-S810 PolarHBondContact O-N 3.21Å; D806-S810 PolarHBondContact O-OG 3.39Å |
| 807 | C | 89.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 174.7 | -67 | 0 | 0 | 0 | 0 | 112.5 | L765 K769 E803 V804 L805 S810 S812 L813 | L765-C807 HydrophobicContact CD1-CB 4.08Å; K769-C807 WeakPolarHBondContact CE-SG 3.37Å; K769-C807 PolarHBondContact NZ-SG 3.15Å; E803-C807 WeakPolarHBondContact O-CB 3.5Å; E803-C807 PolarHBondContact O-N 3.01Å; E803-C807 PolarHBondContact O-SG 3.14Å; V804-C807 WeakPolarHBondContact O-CB 3.4Å; V804-C807 PolarHBondContact O-N 2.83Å; V804-C807 VanDerWaalsContact O-N 3.15Å; L805-C807 VanDerWaalsContact C-N 3.31Å; L805-C807 PolarHBondContact O-N 3.3Å; C807-S810 WeakPolarHBondContact CA-OG 3.32Å; C807-S810 PolarHBondContact O-OG 3.05Å; C807-S812 PolarHBondContact O-N 3.22Å; C807-L813 HydrophobicContact CB-CD1 3.97Å; C807-L813 HydrophobicContact CB-CG 4.37Å |
| 808 | L | 89.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -36.2 | 174.6 | -69.1 | 168.2 | 0 | 0 | 0 | 111.7 | A783 V804 L805 L813 C816 A820 Y823 | A783-L808 HydrophobicContact CB-CD2 3.98Å; V804-L808 HydrophobicContact CG1-CD1 4.04Å; V804-L808 HydrophobicContact CG1-CG 4.47Å; V804-L808 WeakPolarHBondContact O-CG 3.43Å; V804-L808 PolarHBondContact O-N 2.96Å; L805-L808 PolarHBondContact O-N 3.19Å; L808-L813 HydrophobicContact CD2-CB 4.43Å; L808-L813 HydrophobicContact CD2-CD1 3.76Å; L808-L813 HydrophobicContact CG-CD1 4.12Å; L808-C816 HydrophobicContact CD2-CB 4.23Å; L808-A820 HydrophobicContact CB-CB 3.9Å; L808-Y823 HydrophobicContact CD1-CD1 3.99Å; L808-Y823 HydrophobicContact CD1-CG 4.07Å |
| 809 | R | 88.7 | Confident | 86.5 | Confident | 136 Ų | 136 | 59.7 Ų | 59.7 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -78.1 | -37.7 | 178.9 | -74.5 | 176.1 | 171.1 | 168.8 | -1.8 | 114.1 | L805 D806 G811 A820 | L805-R809 HydrophobicContact CD1-CG 4.45Å; L805-R809 WeakPolarHBondContact O-CB 3.15Å; L805-R809 WeakPolarHBondContact O-CG 3.45Å; L805-R809 PolarHBondContact O-N 2.83Å; D806-R809 PolarHBondContact O-N 3.48Å; R809-G811 PolarHBondContact O-N 2.99Å; R809-A820 HydrophobicContact CG-CB 4.31Å |
| 810 | S | 83.4 | Confident | 86.4 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 56% | 0.559 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.7 | -176.3 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | D806 C807 S812 | D806-S810 WeakPolarHBondContact O-CB 3.46Å; D806-S810 PolarHBondContact O-N 3.21Å; D806-S810 PolarHBondContact O-OG 3.39Å; C807-S810 WeakPolarHBondContact CA-OG 3.32Å; C807-S810 PolarHBondContact O-OG 3.05Å; S810-S812 VanDerWaalsContact C-N 3.28Å; S810-S812 PolarHBondContact OG-OG 2.95Å |
| 811 | G | 80.8 | Confident | 86.2 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 5.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | R809 L813 G814 | R809-G811 PolarHBondContact O-N 2.99Å; G811-L813 PolarHBondContact O-N 3.36Å; G811-L813 VanDerWaalsContact O-N 3.08Å; G811-G814 PolarHBondContact O-N 2.98Å; G811-G814 VanDerWaalsContact O-N 3.08Å |
| 812 | S | 82.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 59 Ų | 59 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -18.3 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | C807 S810 | C807-S812 PolarHBondContact O-N 3.22Å; S810-S812 VanDerWaalsContact C-N 3.28Å; S810-S812 PolarHBondContact OG-OG 2.95Å |
| 813 | L | 83.8 | Confident | 86 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 15.7 | 178.9 | -62.8 | 168.8 | 0 | 0 | 0 | 112.4 | L765 A768 K769 V772 A782 A786 C807 L808 G811 | L765-L813 HydrophobicContact CD1-CD1 4.17Å; A768-L813 HydrophobicContact CB-CD2 3.87Å; K769-L813 HydrophobicContact CG-CD2 4.17Å; V772-L813 HydrophobicContact CG2-CD2 4.46Å; A782-L813 HydrophobicContact CB-CD2 4.38Å; A786-L813 HydrophobicContact CB-CD1 3.97Å; C807-L813 HydrophobicContact CB-CD1 3.97Å; C807-L813 HydrophobicContact CB-CG 4.37Å; L808-L813 HydrophobicContact CD2-CB 4.43Å; L808-L813 HydrophobicContact CD2-CD1 3.76Å; L808-L813 HydrophobicContact CG-CD1 4.12Å; G811-L813 PolarHBondContact O-N 3.36Å; G811-L813 VanDerWaalsContact O-N 3.08Å |
| 814 | G | 77.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 95.8 | 179.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G811 C816 | G811-G814 PolarHBondContact O-N 2.98Å; G811-G814 VanDerWaalsContact O-N 3.08Å; G814-C816 PolarHBondContact O-N 3.27Å |
| 815 | D | 77 | Confident | 86.2 | Confident | 123 Ų | 123 | 55.2 Ų | 55.2 | 66% | 0.658 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -79.3 | 83.7 | 177.7 | -165.4 | 4 | 0 | 0 | 0 | 110.8 | K817 | D815-K817 WeakPolarHBondContact OD1-CD 3.2Å; D815-K817 VanDerWaalsContact OD1-CE 3.23Å; D815-K817 WeakPolarHBondContact OD1-CE 3.46Å; D815-K817 WeakPolarHBondContact OD1-CG 3.44Å; D815-K817 IonicContact OD1-NZ 3.68Å; D815-K817 PolarHBondContact OD1-NZ 2.97Å; D815-K817 IonicContact OD2-NZ 2.75Å |
| 816 | C | 75.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.081 | 32% | 0.318 | C | S | . | . | trans | -112 | 37.7 | -170.7 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | A783 L808 G814 E818 H819 A820 | A783-C816 HydrophobicContact CB-CB 4.49Å; L808-C816 HydrophobicContact CD2-CB 4.23Å; G814-C816 PolarHBondContact O-N 3.27Å; C816-E818 VanDerWaalsContact C-N 3.34Å; C816-E818 PolarHBondContact O-N 3.11Å; C816-H819 HydrophobicContact CB-CB 4.22Å; C816-H819 PolarHBondContact O-N 3.43Å; C816-H819 VanDerWaalsContact O-N 3.15Å; C816-A820 PolarHBondContact O-N 3.41Å | ||
| 817 | K | 80.7 | Confident | 86.4 | Confident | 148 Ų | 148 | 55.2 Ų | 55.2 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -57.1 | -41.3 | -173.4 | -70.6 | 169.1 | -171.3 | 150.6 | 0 | 114.1 | D815 A820 E821 | D815-K817 WeakPolarHBondContact OD1-CD 3.2Å; D815-K817 VanDerWaalsContact OD1-CE 3.23Å; D815-K817 WeakPolarHBondContact OD1-CE 3.46Å; D815-K817 WeakPolarHBondContact OD1-CG 3.44Å; D815-K817 IonicContact OD1-NZ 3.68Å; D815-K817 PolarHBondContact OD1-NZ 2.97Å; D815-K817 IonicContact OD2-NZ 2.75Å; K817-A820 PolarHBondContact O-N 3.31Å; K817-E821 PolarHBondContact O-N 2.88Å |
| 818 | E | 82.3 | Confident | 86.6 | Confident | 170 Ų | 170 | 57.2 Ų | 57.2 | 79% | 0.794 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 177.7 | -66.1 | -174.1 | 167.5 | 0 | 0 | 112 | C816 A820 E821 S822 | C816-E818 VanDerWaalsContact C-N 3.34Å; C816-E818 PolarHBondContact O-N 3.11Å; E818-A820 VanDerWaalsContact C-N 3.33Å; E818-A820 PolarHBondContact O-N 3.36Å; E818-E821 PolarHBondContact O-N 2.88Å; E818-S822 PolarHBondContact O-N 3.17Å; E818-S822 VanDerWaalsContact O-N 3.08Å |
| 819 | H | 83.6 | Confident | 86.8 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.366 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176 | -73.2 | 71 | 0 | 0 | 0 | 111.5 | C816 E821 S822 Y823 | C816-H819 HydrophobicContact CB-CB 4.22Å; C816-H819 PolarHBondContact O-N 3.43Å; C816-H819 VanDerWaalsContact O-N 3.15Å; H819-E821 VanDerWaalsContact C-N 3.32Å; H819-E821 PolarHBondContact O-N 2.98Å; H819-S822 PolarHBondContact O-N 3.05Å; H819-Y823 VanDerWaalsContact O-CB 3.25Å; H819-Y823 WeakPolarHBondContact O-CB 3.47Å; H819-Y823 PolarHBondContact O-N 3.17Å |
| 820 | A | 88.5 | Confident | 86.9 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L805 L808 R809 C816 K817 E818 R824 | L805-A820 HydrophobicContact CD1-CB 4.26Å; L805-A820 WeakPolarHBondContact CD1-O 3Å; L808-A820 HydrophobicContact CB-CB 3.9Å; R809-A820 HydrophobicContact CG-CB 4.31Å; C816-A820 PolarHBondContact O-N 3.41Å; K817-A820 PolarHBondContact O-N 3.31Å; E818-A820 VanDerWaalsContact C-N 3.33Å; E818-A820 PolarHBondContact O-N 3.36Å; A820-R824 WeakPolarHBondContact O-CB 3.49Å; A820-R824 PolarHBondContact O-N 3.06Å |
| 821 | E | 90.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 58 Ų | 58 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 178.7 | -174.8 | 54.5 | -151 | 0 | 0 | 112.2 | K817 E818 H819 R824 A825 | K817-E821 PolarHBondContact O-N 2.88Å; E818-E821 PolarHBondContact O-N 2.88Å; H819-E821 VanDerWaalsContact C-N 3.32Å; H819-E821 PolarHBondContact O-N 2.98Å; E821-R824 VanDerWaalsContact CD-NE 3.34Å; E821-R824 PolarHBondContact O-N 2.87Å; E821-R824 IonicContact OE1-CZ 2.69Å; E821-R824 IonicContact OE1-NE 3.14Å; E821-R824 PolarHBondContact OE1-NE 2.74Å; E821-R824 IonicContact OE1-NH2 3.46Å; E821-R824 PolarHBondContact OE1-NH2 3.09Å; E821-R824 IonicContact OE2-NE 3.5Å; E821-R824 PolarHBondContact OE2-NE 3.23Å; E821-A825 PolarHBondContact O-N 3.1Å |
| 822 | S | 90.6 | Very high | 87.8 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 172.7 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | E818 H819 R824 A825 E826 | E818-S822 PolarHBondContact O-N 3.17Å; E818-S822 VanDerWaalsContact O-N 3.08Å; H819-S822 PolarHBondContact O-N 3.05Å; S822-R824 PolarHBondContact O-N 3.18Å; S822-A825 PolarHBondContact O-N 3.15Å; S822-E826 PolarHBondContact O-N 3.1Å; S822-E826 VanDerWaalsContact O-N 3.08Å |
| 823 | Y | 93.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.1 | -177.1 | -103.3 | 0 | 0 | 0 | 112.2 | A787 L789 V804 L805 L808 H819 A825 E826 C827 | A787-Y823 HydrophobicContact CB-CD2 3.65Å; A787-Y823 HydrophobicContact CB-CE2 4.16Å; A787-Y823 HydrophobicContact CB-CG 4.31Å; A787-Y823 VanDerWaalsContact O-CD2 3.25Å; A787-Y823 WeakPolarHBondContact O-CD2 3.46Å; A787-Y823 VanDerWaalsContact O-CE2 3.26Å; A787-Y823 WeakPolarHBondContact O-CE2 3.34Å; L789-Y823 HydrophobicContact CD1-CD2 4.13Å; L789-Y823 HydrophobicContact CD1-CE2 3.84Å; L789-Y823 HydrophobicContact CD2-CE2 3.66Å; L789-Y823 HydrophobicContact CG-CD2 4.32Å; L789-Y823 HydrophobicContact CG-CE2 3.66Å; V804-Y823 HydrophobicContact CB-CE1 3.93Å; V804-Y823 HydrophobicContact CG1-CD1 4.31Å; V804-Y823 HydrophobicContact CG1-CE1 3.63Å; V804-Y823 HydrophobicContact CG1-CE2 4.16Å; L805-Y823 HydrophobicContact CB-CD1 4.22Å; L805-Y823 HydrophobicContact CB-CE1 4.19Å; L805-Y823 HydrophobicContact CD1-CD1 4.29Å; L808-Y823 HydrophobicContact CD1-CD1 3.99Å; L808-Y823 HydrophobicContact CD1-CG 4.07Å; H819-Y823 VanDerWaalsContact O-CB 3.25Å; H819-Y823 WeakPolarHBondContact O-CB 3.47Å; H819-Y823 PolarHBondContact O-N 3.17Å; Y823-A825 VanDerWaalsContact C-N 3.33Å; Y823-A825 PolarHBondContact O-N 3.36Å; Y823-E826 PolarHBondContact O-N 3.39Å; Y823-C827 WeakPolarHBondContact CE1-SG 3.42Å; Y823-C827 VanDerWaalsContact CZ-SG 3.53Å; Y823-C827 WeakPolarHBondContact O-CB 3.43Å; Y823-C827 PolarHBondContact O-N 3.25Å; Y823-C827 PolarHBondContact O-SG 2.6Å; Y823-C827 VanDerWaalsContact O-SG 3.42Å |
| 824 | R | 94.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 59 Ų | 59 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -46.8 | 173.7 | -175.6 | -150.6 | 61.7 | 70.3 | -0.2 | 111.3 | L805 A820 E821 S822 C827 H828 F837 | L805-R824 HydrophobicContact CD1-CB 4.2Å; L805-R824 HydrophobicContact CD2-CB 4.4Å; L805-R824 HydrophobicContact CD2-CG 4.33Å; A820-R824 WeakPolarHBondContact O-CB 3.49Å; A820-R824 PolarHBondContact O-N 3.06Å; E821-R824 VanDerWaalsContact CD-NE 3.34Å; E821-R824 PolarHBondContact O-N 2.87Å; E821-R824 IonicContact OE1-CZ 2.69Å; E821-R824 IonicContact OE1-NE 3.14Å; E821-R824 PolarHBondContact OE1-NE 2.74Å; E821-R824 IonicContact OE1-NH2 3.46Å; E821-R824 PolarHBondContact OE1-NH2 3.09Å; E821-R824 IonicContact OE2-NE 3.5Å; E821-R824 PolarHBondContact OE2-NE 3.23Å; S822-R824 PolarHBondContact O-N 3.18Å; R824-C827 PolarHBondContact O-N 3.28Å; R824-H828 PolarHBondContact O-N 3.19Å; R824-F837 HydrophobicContact CG-CB 4.42Å; R824-F837 PolarHBondContact NH1-O 2.73Å |
| 825 | A | 93.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E821 S822 Y823 H828 K829 | E821-A825 PolarHBondContact O-N 3.1Å; S822-A825 PolarHBondContact O-N 3.15Å; Y823-A825 VanDerWaalsContact C-N 3.33Å; Y823-A825 PolarHBondContact O-N 3.36Å; A825-H828 WeakPolarHBondContact O-CB 3.41Å; A825-H828 PolarHBondContact O-N 3.33Å; A825-K829 PolarHBondContact O-N 2.93Å |
| 826 | E | 93.9 | Very high | 90.1 | Very high | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 174.5 | -65.4 | -53.4 | 137.9 | 0 | 0 | 112.1 | L789 S822 Y823 H828 K829 L830 | L789-E826 HydrophobicContact CD1-CB 3.81Å; S822-E826 PolarHBondContact O-N 3.1Å; S822-E826 VanDerWaalsContact O-N 3.08Å; Y823-E826 PolarHBondContact O-N 3.39Å; E826-H828 PolarHBondContact O-N 3.24Å; E826-K829 WeakPolarHBondContact O-CB 3.48Å; E826-K829 PolarHBondContact O-N 3.36Å; E826-K829 VanDerWaalsContact O-N 3.16Å; E826-K829 IonicContact OE1-NZ 2.88Å; E826-K829 PolarHBondContact OE1-NZ 3.09Å; E826-K829 IonicContact OE2-NZ 3.54Å; E826-K829 PolarHBondContact OE2-NZ 2.81Å; E826-L830 PolarHBondContact O-N 3.02Å |
| 827 | C | 94 | Very high | 91 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -33.5 | 173.3 | -73.5 | 0 | 0 | 0 | 0 | 112.5 | Y823 R824 K829 L830 Y831 F837 | Y823-C827 WeakPolarHBondContact CE1-SG 3.42Å; Y823-C827 VanDerWaalsContact CZ-SG 3.53Å; Y823-C827 WeakPolarHBondContact O-CB 3.43Å; Y823-C827 PolarHBondContact O-N 3.25Å; Y823-C827 PolarHBondContact O-SG 2.6Å; Y823-C827 VanDerWaalsContact O-SG 3.42Å; R824-C827 PolarHBondContact O-N 3.28Å; C827-K829 VanDerWaalsContact C-N 3.33Å; C827-K829 PolarHBondContact O-N 3.2Å; C827-L830 PolarHBondContact O-N 3.42Å; C827-Y831 PolarHBondContact O-N 3.39Å; C827-F837 HydrophobicContact CB-CB 4.23Å; C827-F837 HydrophobicContact CB-CD1 3.6Å; C827-F837 HydrophobicContact CB-CD2 3.73Å; C827-F837 HydrophobicContact CB-CE1 3.81Å; C827-F837 HydrophobicContact CB-CE2 3.95Å; C827-F837 HydrophobicContact CB-CG 3.57Å; C827-F837 HydrophobicContact CB-CZ 3.99Å |
| 828 | H | 94.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 176.5 | -174.4 | 52.9 | 0 | 0 | 0 | 112.5 | R824 A825 E826 L830 Y831 P832 F837 M838 | R824-H828 PolarHBondContact O-N 3.19Å; A825-H828 WeakPolarHBondContact O-CB 3.41Å; A825-H828 PolarHBondContact O-N 3.33Å; E826-H828 PolarHBondContact O-N 3.24Å; H828-L830 VanDerWaalsContact C-N 3.29Å; H828-L830 PolarHBondContact O-N 3.17Å; H828-Y831 CarbonylContact O-C 3.54Å; H828-Y831 VanDerWaalsContact O-C 3.3Å; H828-Y831 PolarHBondContact O-N 3.26Å; H828-P832 PolarHBondContact CE1-O 2.85Å; H828-P832 VanDerWaalsContact O-CA 3.22Å; H828-P832 WeakPolarHBondContact O-CA 3.46Å; H828-F837 HydrophobicContact CB-CB 4.11Å; H828-F837 WeakPolarHBondContact CB-O 3.41Å; H828-M838 PolarHBondContact CE1-SD 2.92Å |
| 829 | K | 92.5 | Very high | 91.8 | Very high | 140 Ų | 140 | 44.2 Ų | 44.2 | 61% | 0.609 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.9 | -37.2 | 175.8 | -62.3 | 175.9 | -167.5 | 163.1 | 0 | 111.8 | A825 E826 C827 | A825-K829 PolarHBondContact O-N 2.93Å; E826-K829 WeakPolarHBondContact O-CB 3.48Å; E826-K829 PolarHBondContact O-N 3.36Å; E826-K829 VanDerWaalsContact O-N 3.16Å; E826-K829 IonicContact OE1-NZ 2.88Å; E826-K829 PolarHBondContact OE1-NZ 3.09Å; E826-K829 IonicContact OE2-NZ 3.54Å; E826-K829 PolarHBondContact OE2-NZ 2.81Å; C827-K829 VanDerWaalsContact C-N 3.33Å; C827-K829 PolarHBondContact O-N 3.2Å |
| 830 | L | 90.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.7 | -36.4 | 178.6 | -64.1 | 178.5 | 0 | 0 | 0 | 112.6 | L789 E826 C827 H828 P832 | L789-L830 HydrophobicContact CB-CD1 4.27Å; L789-L830 HydrophobicContact CD1-CD1 4.2Å; E826-L830 PolarHBondContact O-N 3.02Å; C827-L830 PolarHBondContact O-N 3.42Å; H828-L830 VanDerWaalsContact C-N 3.29Å; H828-L830 PolarHBondContact O-N 3.17Å; L830-P832 WeakPolarHBondContact O-CD 3.22Å |
| 831 | Y | 92.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 47 Ų | 47 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | trans | -128 | 74.2 | -175.7 | -53.4 | -64.3 | 0 | 0 | 0 | 110.4 | R796 I798 C801 C827 H828 Y833 T834 F837 | R796-Y831 PolarHBondContact O-OH 2.68Å; I798-Y831 HydrophobicContact CD1-CD1 3.96Å; I798-Y831 HydrophobicContact CD1-CE1 4.45Å; I798-Y831 HydrophobicContact CD1-CG 4.38Å; I798-Y831 HydrophobicContact CG1-CD1 3.49Å; I798-Y831 VanDerWaalsContact CG1-CD1 3.49Å; I798-Y831 HydrophobicContact CG1-CD2 4.12Å; I798-Y831 HydrophobicContact CG1-CE1 3.76Å; I798-Y831 HydrophobicContact CG1-CE2 4.34Å; I798-Y831 HydrophobicContact CG1-CG 3.68Å; C801-Y831 HydrophobicContact CB-CE2 4.41Å; C827-Y831 PolarHBondContact O-N 3.39Å; H828-Y831 CarbonylContact O-C 3.54Å; H828-Y831 VanDerWaalsContact O-C 3.3Å; H828-Y831 PolarHBondContact O-N 3.26Å; Y831-Y833 PolarHBondContact O-N 2.88Å; Y831-Y833 VanDerWaalsContact O-N 3.12Å; Y831-T834 WeakPolarHBondContact CB-OG1 3.44Å; Y831-T834 PolarHBondContact O-N 3.07Å; Y831-T834 VanDerWaalsContact O-N 3.15Å; Y831-F837 HydrophobicContact CD2-CD2 4.14Å; Y831-F837 AromaticContact CD2-CE2 3.71Å; Y831-F837 HydrophobicContact CD2-CE2 3.71Å; Y831-F837 HydrophobicContact CG-CE2 4.35Å | ||
| 832 | P | 91.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23 | -168.5 | 23.8 | -34.3 | 0 | 0 | 0 | 113.8 | H828 L830 M838 | H828-P832 PolarHBondContact CE1-O 2.85Å; H828-P832 VanDerWaalsContact O-CA 3.22Å; H828-P832 WeakPolarHBondContact O-CA 3.46Å; L830-P832 WeakPolarHBondContact O-CD 3.22Å; P832-M838 WeakPolarHBondContact O-CE 3.45Å |
| 833 | Y | 92.4 | Very high | 88.1 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.1 | -178.4 | -51 | -74.2 | 0 | 0 | 0 | 113.5 | Q390 T391 L394 Y418 A421 N423 Y831 L835 | Q390-Y833 HydrophobicContact CB-CE2 4.47Å; T391-Y833 PolarHBondContact OG1-OH 3.37Å; L394-Y833 HydrophobicContact CD1-CE1 4.08Å; L394-Y833 HydrophobicContact CD1-CE2 4.35Å; Y418-Y833 HydrophobicContact CE1-CD1 4.47Å; A421-Y833 HydrophobicContact CB-CD2 4.16Å; A421-Y833 HydrophobicContact CB-CG 4.28Å; A421-Y833 CarbonylContact O-C 3.5Å; N423-Y833 WeakPolarHBondContact CB-O 3.25Å; Y831-Y833 PolarHBondContact O-N 2.88Å; Y831-Y833 VanDerWaalsContact O-N 3.12Å; Y833-L835 PolarHBondContact O-N 3.43Å |
| 834 | T | 94.1 | Very high | 85.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | trans | -76.1 | 121.9 | -170.8 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | A421 I798 Y831 A836 F837 M838 | A421-T834 VanDerWaalsContact O-CA 3.31Å; A421-T834 WeakPolarHBondContact O-CA 3.3Å; A421-T834 PolarHBondContact O-N 3.13Å; A421-T834 PolarHBondContact O-OG1 3.3Å; I798-T834 HydrophobicContact CG2-CG2 3.87Å; Y831-T834 WeakPolarHBondContact CB-OG1 3.44Å; Y831-T834 PolarHBondContact O-N 3.07Å; Y831-T834 VanDerWaalsContact O-N 3.15Å; T834-A836 VanDerWaalsContact C-N 3.3Å; T834-A836 HydrophobicContact CG2-CB 4Å; T834-A836 PolarHBondContact O-N 2.84Å; T834-F837 HydrophobicContact CG2-CD2 3.51Å; T834-F837 HydrophobicContact CG2-CE2 3.68Å; T834-F837 HydrophobicContact CG2-CG 4.19Å; T834-F837 HydrophobicContact CG2-CZ 4.48Å; T834-F837 PolarHBondContact O-N 3.3Å; T834-F837 VanDerWaalsContact O-N 3.1Å; T834-M838 PolarHBondContact O-N 3.02Å | ||
| 835 | L | 92.8 | Very high | 83.2 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -59 | -38.2 | -178.6 | -68.4 | 172.4 | 0 | 0 | 0 | 113.1 | G422 N423 I424 R425 Y833 F837 M838 Y842 | G422-L835 PolarHBondContact O-N 3.44Å; N423-L835 HydrophobicContact CB-CG 4.41Å; I424-L835 HydrophobicContact CG2-CD1 4.43Å; R425-L835 HydrophobicContact CB-CD1 4.43Å; R425-L835 HydrophobicContact CG-CD1 4.18Å; Y833-L835 PolarHBondContact O-N 3.43Å; L835-F837 PolarHBondContact O-N 3.32Å; L835-F837 VanDerWaalsContact O-N 3.11Å; L835-M838 PolarHBondContact O-N 2.72Å; L835-M838 VanDerWaalsContact O-N 3.15Å; L835-Y842 HydrophobicContact CD2-CE1 4.28Å |
| 836 | A | 90.3 | Very high | 80.9 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -60.3 | -23.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T802 L805 T834 | T802-A836 HydrophobicContact CG2-CB 4.08Å; L805-A836 WeakPolarHBondContact CD2-O 3.47Å; T834-A836 VanDerWaalsContact C-N 3.3Å; T834-A836 HydrophobicContact CG2-CB 4Å; T834-A836 PolarHBondContact O-N 2.84Å |
| 837 | F | 94 | Very high | 78.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -107.1 | 1.6 | -178.6 | -49.6 | -44.6 | 0 | 0 | 0 | 113.2 | C801 L805 R824 C827 H828 Y831 T834 L835 | C801-F837 HydrophobicContact CB-CE2 4.42Å; C801-F837 HydrophobicContact CB-CZ 3.74Å; L805-F837 HydrophobicContact CB-CE1 4.45Å; L805-F837 HydrophobicContact CD2-CD1 3.76Å; L805-F837 HydrophobicContact CD2-CE1 3.85Å; R824-F837 HydrophobicContact CG-CB 4.42Å; R824-F837 PolarHBondContact NH1-O 2.73Å; C827-F837 HydrophobicContact CB-CB 4.23Å; C827-F837 HydrophobicContact CB-CD1 3.6Å; C827-F837 HydrophobicContact CB-CD2 3.73Å; C827-F837 HydrophobicContact CB-CE1 3.81Å; C827-F837 HydrophobicContact CB-CE2 3.95Å; C827-F837 HydrophobicContact CB-CG 3.57Å; C827-F837 HydrophobicContact CB-CZ 3.99Å; H828-F837 HydrophobicContact CB-CB 4.11Å; H828-F837 WeakPolarHBondContact CB-O 3.41Å; Y831-F837 HydrophobicContact CD2-CD2 4.14Å; Y831-F837 AromaticContact CD2-CE2 3.71Å; Y831-F837 HydrophobicContact CD2-CE2 3.71Å; Y831-F837 HydrophobicContact CG-CE2 4.35Å; T834-F837 HydrophobicContact CG2-CD2 3.51Å; T834-F837 HydrophobicContact CG2-CE2 3.68Å; T834-F837 HydrophobicContact CG2-CG 4.19Å; T834-F837 HydrophobicContact CG2-CZ 4.48Å; T834-F837 PolarHBondContact O-N 3.3Å; T834-F837 VanDerWaalsContact O-N 3.1Å; L835-F837 PolarHBondContact O-N 3.32Å; L835-F837 VanDerWaalsContact O-N 3.11Å |
| 838 | M | 91.6 | Very high | 75.4 | Confident | 26 Ų | 26 | 70 Ų | 70 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -65.7 | 150.4 | 177.4 | -72.3 | -68.1 | -176.2 | 0 | 0 | 111.8 | H828 P832 T834 L835 Y842 | H828-M838 PolarHBondContact CE1-SD 2.92Å; P832-M838 WeakPolarHBondContact O-CE 3.45Å; T834-M838 PolarHBondContact O-N 3.02Å; L835-M838 PolarHBondContact O-N 2.72Å; L835-M838 VanDerWaalsContact O-N 3.15Å; M838-Y842 HydrophobicContact CB-CD1 4.03Å; M838-Y842 HydrophobicContact CB-CG 4.04Å; M838-Y842 HydrophobicContact CE-CE1 4.12Å; M838-Y842 HydrophobicContact CE-CE2 4.42Å; M838-Y842 HydrophobicContact CG-CD1 3.81Å; M838-Y842 HydrophobicContact CG-CE1 4.08Å; M838-Y842 HydrophobicContact CG-CG 4.12Å; M838-Y842 HydrophobicContact SD-CD1 4.23Å; M838-Y842 HydrophobicContact SD-CD2 4.18Å; M838-Y842 HydrophobicContact SD-CE1 4.2Å; M838-Y842 HydrophobicContact SD-CE2 4.15Å; M838-Y842 HydrophobicContact SD-CG 4.22Å |
| 839 | P | 88.8 | Confident | 72.6 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 150.1 | 173 | -22.6 | 33 | 0 | 0 | 0 | 112.4 | G841 Y842 | P839-G841 PolarHBondContact O-N 3.12Å; P839-Y842 WeakPolarHBondContact O-CB 3.35Å; P839-Y842 PolarHBondContact O-N 3.23Å |
| 840 | P | 80.6 | Confident | 69.9 | Low | 108 Ų | 108 | 70.5 Ų | 70.5 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.9 | 173 | -22.1 | 31.7 | 0 | 0 | 0 | 111.7 | ||
| 841 | G | 66 | Low | 66.9 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P839 E843 E844 N845 | P839-G841 PolarHBondContact O-N 3.12Å; G841-E843 VanDerWaalsContact C-N 3.25Å; G841-E843 PolarHBondContact O-N 2.91Å; G841-E844 PolarHBondContact O-N 3.18Å; G841-N845 PolarHBondContact O-N 2.81Å; G841-N845 VanDerWaalsContact O-N 3.17Å |
| 842 | Y | 69.9 | Low | 63.9 | Low | 87 Ų | 87 | 73.3 Ų | 73.3 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.3 | -40.1 | 175.6 | -179.9 | -100.2 | 0 | 0 | 0 | 112.7 | L835 M838 P839 N845 T846 | L835-Y842 HydrophobicContact CD2-CE1 4.28Å; M838-Y842 HydrophobicContact CB-CD1 4.03Å; M838-Y842 HydrophobicContact CB-CG 4.04Å; M838-Y842 HydrophobicContact CE-CE1 4.12Å; M838-Y842 HydrophobicContact CE-CE2 4.42Å; M838-Y842 HydrophobicContact CG-CD1 3.81Å; M838-Y842 HydrophobicContact CG-CE1 4.08Å; M838-Y842 HydrophobicContact CG-CG 4.12Å; M838-Y842 HydrophobicContact SD-CD1 4.23Å; M838-Y842 HydrophobicContact SD-CD2 4.18Å; M838-Y842 HydrophobicContact SD-CE1 4.2Å; M838-Y842 HydrophobicContact SD-CE2 4.15Å; M838-Y842 HydrophobicContact SD-CG 4.22Å; P839-Y842 WeakPolarHBondContact O-CB 3.35Å; P839-Y842 PolarHBondContact O-N 3.23Å; Y842-N845 PolarHBondContact O-N 2.99Å; Y842-T846 HydrophobicContact CE1-CG2 4.41Å; Y842-T846 PolarHBondContact O-N 3.35Å; Y842-T846 PolarHBondContact O-OG1 3.2Å |
| 843 | E | 57.3 | Low | 61.1 | Low | 79 Ų | 79 | 76.7 Ų | 76.7 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.7 | -29.9 | 179.9 | -63.9 | -161.8 | 174.8 | 0 | 0 | 114.2 | R425 G841 T846 K847 | R425-E843 IonicContact CZ-OE1 3.19Å; R425-E843 IonicContact CZ-OE2 3.75Å; R425-E843 VanDerWaalsContact CZ-OE2 3.28Å; R425-E843 IonicContact NH1-OE1 3.63Å; R425-E843 PolarHBondContact NH1-OE1 3.18Å; R425-E843 IonicContact NH1-OE2 2.96Å; R425-E843 PolarHBondContact NH1-OE2 3.08Å; R425-E843 IonicContact NH2-OE1 2.86Å; R425-E843 PolarHBondContact NH2-OE1 3.47Å; R425-E843 IonicContact NH2-OE2 3.5Å; R425-E843 PolarHBondContact NH2-OE2 3.1Å; G841-E843 VanDerWaalsContact C-N 3.25Å; G841-E843 PolarHBondContact O-N 2.91Å; E843-T846 WeakPolarHBondContact CA-OG1 3.49Å; E843-K847 WeakPolarHBondContact O-CG 3.47Å; E843-K847 PolarHBondContact O-N 3.5Å |
| 844 | E | 44.4 | Very low | 58.1 | Low | 141 Ų | 141 | 78.5 Ų | 78.5 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.5 | -40.3 | 176 | -70.7 | -178 | 165.2 | 0 | 0 | 110.3 | G841 K847 M848 | G841-E844 PolarHBondContact O-N 3.18Å; E844-K847 PolarHBondContact O-N 3.2Å; E844-M848 WeakPolarHBondContact O-CG 3.38Å; E844-M848 PolarHBondContact O-N 3.32Å |
| 845 | N | 40.8 | Very low | 54.9 | Low | 112 Ų | 112 | 82.3 Ų | 82.3 | 60% | 0.599 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.4 | -34.7 | 176.9 | -71.6 | -21.2 | 0 | 0 | 0 | 113.1 | G841 Y842 M848 A849 | G841-N845 PolarHBondContact O-N 2.81Å; G841-N845 VanDerWaalsContact O-N 3.17Å; Y842-N845 PolarHBondContact O-N 2.99Å; N845-M848 PolarHBondContact O-N 3.09Å; N845-A849 WeakPolarHBondContact O-CB 3.5Å; N845-A849 PolarHBondContact O-N 3.03Å |
| 846 | T | 47 | Very low | 51.8 | Low | 52 Ų | 52 | 88 Ų | 88 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.4 | -32.4 | 173.9 | 21.6 | 0 | 0 | 0 | 0 | 112.5 | Y842 E843 N850 | Y842-T846 HydrophobicContact CE1-CG2 4.41Å; Y842-T846 PolarHBondContact O-N 3.35Å; Y842-T846 PolarHBondContact O-OG1 3.2Å; E843-T846 WeakPolarHBondContact CA-OG1 3.49Å; T846-N850 WeakPolarHBondContact O-CB 3.3Å; T846-N850 PolarHBondContact O-N 3.31Å |
| 847 | K | 40 | Very low | 48.9 | Very low | 147 Ų | 147 | 91.7 Ų | 91.7 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -36.3 | 169.8 | -79.3 | 179.4 | 178.7 | 177.4 | 0 | 112.6 | E843 E844 G851 | E843-K847 WeakPolarHBondContact O-CG 3.47Å; E843-K847 PolarHBondContact O-N 3.5Å; E844-K847 PolarHBondContact O-N 3.2Å; K847-G851 PolarHBondContact O-N 3.49Å |
| 848 | M | 32.1 | Very low | 45.9 | Very low | 154 Ų | 154 | 99.5 Ų | 99.5 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.8 | -35.1 | 174.1 | -72.5 | -174 | 120.1 | 0 | 0 | 112.7 | E844 N845 | E844-M848 WeakPolarHBondContact O-CG 3.38Å; E844-M848 PolarHBondContact O-N 3.32Å; N845-M848 PolarHBondContact O-N 3.09Å |
| 849 | A | 34.8 | Very low | 42.9 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.3 | -28.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N845 | N845-A849 WeakPolarHBondContact O-CB 3.5Å; N845-A849 PolarHBondContact O-N 3.03Å |
| 850 | N | 35.6 | Very low | 40.1 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 17.9 | 177.6 | -71.4 | -13.7 | 0 | 0 | 0 | 113.3 | T846 | T846-N850 WeakPolarHBondContact O-CB 3.3Å; T846-N850 PolarHBondContact O-N 3.31Å |
| 851 | G | 28.4 | Very low | 37.8 | Very low | 46 Ų | 46 | 110.3 Ų | 110.3 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | trans | -129.3 | 81.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K847 | K847-G851 PolarHBondContact O-N 3.49Š| ||
| 852 | D | 29.4 | Very low | 36.3 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | -178.5 | 87.8 | 128.2 | -119.9 | -23.3 | 0 | 0 | 0 | 109.1 | T855 | D852-T855 PolarHBondContact OD1-OG1 3.48Š| |||
| 853 | V | 32 | Very low | 34.6 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 76% | 0.758 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -121.9 | -2.2 | 162.6 | -171 | 0 | 0 | 0 | 0 | 110.6 | ||
| 854 | S | 30.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -90 | 1.5 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 855 | T | 26.8 | Very low | 32.9 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 51% | 0.509 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -113.4 | -12.9 | 180 | 43.9 | 0 | 0 | 0 | 0 | 114 | D852 | D852-T855 PolarHBondContact OD1-OG1 3.48Š|
| 856 | E | 27.9 | Very low | 32.5 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90.4 | -3.9 | 177.4 | -75.6 | -169.6 | 158.1 | 0 | 0 | 114.7 | ||
| 857 | T | 29.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -97.5 | -1.2 | 178.9 | 28.6 | 0 | 0 | 0 | 0 | 115 | ||
| 858 | E | 29.3 | Very low | 31.2 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -98.4 | -11.2 | 176.2 | -82.7 | -171.3 | 156.2 | 0 | 0 | 115 | ||
| 859 | E | 28.8 | Very low | 31.2 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -93 | -12.4 | 178.3 | -77.8 | -169 | 155.7 | 0 | 0 | 114.8 | ||
| 860 | L | 30.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -97.1 | 4 | 179.1 | -88.5 | 153.8 | 0 | 0 | 0 | 114.7 | ||
| 861 | A | 32.8 | Very low | 30.6 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100 | 5.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 862 | N | 34.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -113.1 | 8.2 | 179.5 | -92.7 | -22.4 | 0 | 0 | 0 | 115.2 | ||
| 863 | E | 34.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -136.5 | 75.7 | 166.4 | -73.5 | -169.2 | 164.5 | 0 | 0 | 110.7 | ||||
| 864 | M | 33.3 | Very low | 30.8 | Very low | 263 Ų | 263 | 148.1 Ų | 148.1 | 100% | 1.296 | 79% | 0.788 | S | S | * | * | trans | -157.1 | 0 | 151.3 | -101.1 | -170.3 | 69 | 0 | 0 | 110.7 |
Retrieved 864 of 864 residues in 376 ms
(Link to these results)