| 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 | 39.5 | Very low | 76.3 | Confident | 234 Ų | 234 | 92.9 Ų | 92.9 | 100% | 1.153 | 45% | 0.451 | S | S | * | . | 0 | 149.8 | 0 | -65.1 | -175.9 | -176 | 0 | 0 | 108.4 | |||||
| 2 | P | 53.8 | Low | 77.5 | Confident | 100 Ų | 100 | 88 Ų | 88 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | trans | -55.9 | 143.9 | 171.7 | -25 | 35.6 | 0 | 0 | 0 | 112 | Y4 D33 | P2-Y4 PolarHBondContact O-N 3.05Å; P2-Y4 VanDerWaalsContact O-N 3.13Å; P2-D33 WeakPolarHBondContact CA-OD2 3.46Å; P2-D33 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 3 | A | 63.6 | Low | 78.7 | Confident | 39 Ų | 39 | 91.1 Ų | 91.1 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | trans | -77 | 98.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | F5 V30 D33 | A3-F5 HydrophobicContact CB-CD2 4.23Å; A3-F5 HydrophobicContact CB-CE2 3.47Å; A3-F5 VanDerWaalsContact CB-CE2 3.47Å; A3-F5 HydrophobicContact CB-CZ 3.98Å; A3-F5 WeakPolarHBondContact O-CD2 3.12Å; A3-F5 WeakPolarHBondContact O-CE2 3.47Å; A3-F5 PolarHBondContact O-N 3.05Å; A3-V30 HydrophobicContact CB-CG2 4.42Å; A3-D33 PolarHBondContact N-OD2 2.73Å | ||
| 4 | Y | 75.3 | Confident | 79.5 | Confident | 147 Ų | 147 | 93.1 Ų | 93.1 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | trans | -80.3 | 102.3 | -177.9 | -179.6 | -94 | 0 | 0 | 0 | 112.3 | P2 Q6 K39 | P2-Y4 PolarHBondContact O-N 3.05Å; P2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-Q6 HydrophobicContact CE1-CG 4.3Å; Y4-K39 HydrophobicContact CE2-CD 3.98Å; Y4-K39 WeakPolarHBondContact OH-CD 3.5Å; Y4-K39 PolarHBondContact OH-NZ 3.12Å | ||
| 5 | F | 83.8 | Confident | 80.4 | Confident | 28 Ų | 28 | 87 Ų | 87 | 12% | 0.123 | 41% | 0.411 | C | S | . | . | trans | -93 | 128.3 | 177.2 | -64.5 | -85.7 | 0 | 0 | 0 | 112.9 | A3 N10 A11 R14 V30 V34 H40 | A3-F5 HydrophobicContact CB-CD2 4.23Å; A3-F5 HydrophobicContact CB-CE2 3.47Å; A3-F5 VanDerWaalsContact CB-CE2 3.47Å; A3-F5 HydrophobicContact CB-CZ 3.98Å; A3-F5 WeakPolarHBondContact O-CD2 3.12Å; A3-F5 WeakPolarHBondContact O-CE2 3.47Å; A3-F5 PolarHBondContact O-N 3.05Å; F5-N10 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD2-CB 3.92Å; F5-A11 HydrophobicContact CE1-CB 4Å; F5-A11 HydrophobicContact CE2-CB 3.86Å; F5-A11 HydrophobicContact CG-CB 4.01Å; F5-A11 HydrophobicContact CZ-CB 3.91Å; F5-R14 HydrophobicContact CE1-CB 3.92Å; F5-R14 HydrophobicContact CE1-CG 4.17Å; F5-R14 HydrophobicContact CZ-CB 4.01Å; F5-R14 HydrophobicContact CZ-CG 4Å; F5-V30 HydrophobicContact CE2-CG1 3.87Å; F5-V30 HydrophobicContact CZ-CG1 3.64Å; F5-V30 HydrophobicContact CZ-CG2 4.33Å; F5-V34 HydrophobicContact CB-CG2 4.09Å; F5-V34 HydrophobicContact CD2-CG2 3.32Å; F5-V34 HydrophobicContact CE2-CG2 3.99Å; F5-V34 HydrophobicContact CG-CG2 3.94Å; F5-H40 PolarHBondContact O-NE2 3.37Å | ||
| 6 | Q | 82.9 | Confident | 81.2 | Confident | 166 Ų | 166 | 85.1 Ų | 85.1 | 78% | 0.776 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -70.8 | -35.1 | 171.9 | -65.1 | -177.2 | -0.2 | 0 | 0 | 112.9 | Y4 | Y4-Q6 HydrophobicContact CE1-CG 4.3Š|
| 7 | R | 85.7 | Confident | 82 | Confident | 147 Ų | 147 | 84.8 Ų | 84.8 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -127.4 | 136.9 | 175 | -73.2 | -174.1 | 169.4 | -148.8 | 3.1 | 110.2 | E9 N10 | R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 VanDerWaalsContact CD-OE2 3.31Å; R7-E9 WeakPolarHBondContact CD-OE2 3.37Å; R7-E9 IonicContact CZ-OE2 3.53Å; R7-E9 IonicContact NE-OE2 3.54Å; R7-E9 IonicContact NH1-OE1 3.99Å; R7-E9 IonicContact NH1-OE2 3.72Å; R7-E9 PolarHBondContact NH1-OE2 2.84Å; R7-E9 PolarHBondContact O-N 3.49Å; R7-N10 PolarHBondContact O-N 3.05Å |
| 8 | P | 86.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.032 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -30 | 178.1 | 24.8 | -33 | 0 | 0 | 0 | 112.9 | N10 A11 V34 I46 I50 | P8-N10 PolarHBondContact O-N 2.67Å; P8-N10 VanDerWaalsContact O-N 3.12Å; P8-A11 PolarHBondContact O-N 2.53Å; P8-V34 HydrophobicContact CB-CG1 4.01Å; P8-I46 HydrophobicContact CB-CG2 4.24Å; P8-I46 HydrophobicContact CG-CG2 3.75Å; P8-I50 HydrophobicContact CB-CD1 3.77Å; P8-I50 WeakPolarHBondContact O-CD1 3.28Å |
| 9 | E | 89.3 | Confident | 83.2 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -48.5 | -38 | 173.3 | -60.2 | 171.2 | 150.1 | 0 | 0 | 113.3 | R7 A11 L12 K13 I46 | R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 VanDerWaalsContact CD-OE2 3.31Å; R7-E9 WeakPolarHBondContact CD-OE2 3.37Å; R7-E9 IonicContact CZ-OE2 3.53Å; R7-E9 IonicContact NE-OE2 3.54Å; R7-E9 IonicContact NH1-OE1 3.99Å; R7-E9 IonicContact NH1-OE2 3.72Å; R7-E9 PolarHBondContact NH1-OE2 2.84Å; R7-E9 PolarHBondContact O-N 3.49Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.86Å; E9-L12 PolarHBondContact O-N 3.46Å; E9-K13 PolarHBondContact O-N 2.99Å; E9-I46 HydrophobicContact CG-CG1 4.13Å |
| 10 | N | 90.1 | Very high | 83.7 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.9 | -21.8 | -176.6 | -68.9 | -5.7 | 0 | 0 | 0 | 112.7 | F5 R7 P8 R14 | F5-N10 HydrophobicContact CD1-CB 4.04Å; R7-N10 PolarHBondContact O-N 3.05Å; P8-N10 PolarHBondContact O-N 2.67Å; P8-N10 VanDerWaalsContact O-N 3.12Å; N10-R14 VanDerWaalsContact O-CB 3.27Å; N10-R14 WeakPolarHBondContact O-CB 3.14Å; N10-R14 PolarHBondContact O-N 3.48Å |
| 11 | A | 88.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -76.5 | -31.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F5 P8 E9 R14 A15 V30 L31 V34 | F5-A11 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD2-CB 3.92Å; F5-A11 HydrophobicContact CE1-CB 4Å; F5-A11 HydrophobicContact CE2-CB 3.86Å; F5-A11 HydrophobicContact CG-CB 4.01Å; F5-A11 HydrophobicContact CZ-CB 3.91Å; P8-A11 PolarHBondContact O-N 2.53Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.86Å; A11-R14 PolarHBondContact O-N 2.93Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.75Å; A11-V30 HydrophobicContact CB-CG1 4.05Å; A11-L31 HydrophobicContact CB-CD2 4.47Å; A11-V34 HydrophobicContact CB-CB 4.29Å; A11-V34 HydrophobicContact CB-CG2 3.45Å; A11-V34 VanDerWaalsContact CB-CG2 3.45Å |
| 12 | L | 91.3 | Very high | 86.7 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 172.3 | -163.3 | 157.6 | 0 | 0 | 0 | 110.5 | E9 A15 N16 I46 P49 I50 | E9-L12 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 PolarHBondContact O-OD1 3.23Å; L12-I46 HydrophobicContact CD1-CD1 4.28Å; L12-P49 HydrophobicContact CD1-CB 3.8Å; L12-I50 HydrophobicContact CB-CG1 4.17Å; L12-I50 HydrophobicContact CD1-CG1 4.1Å |
| 13 | K | 92.1 | Very high | 88.6 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.9 | -50.3 | 170.8 | -65.6 | -179.3 | 179.2 | 179.9 | 0 | 111.7 | E9 A15 N16 E17 | E9-K13 PolarHBondContact O-N 2.99Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.49Å; K13-N16 WeakPolarHBondContact O-CB 3.47Å; K13-N16 PolarHBondContact O-N 3.39Å; K13-N16 VanDerWaalsContact O-N 3.1Å; K13-E17 WeakPolarHBondContact O-CG 3.21Å; K13-E17 PolarHBondContact O-N 2.83Å |
| 14 | R | 90.7 | Very high | 90.1 | Very high | 119 Ų | 119 | 80.3 Ų | 80.3 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | -179.6 | -165.5 | 58.3 | 162.7 | 179.1 | 1 | 113.3 | F5 N10 A11 E17 F18 V30 | F5-R14 HydrophobicContact CE1-CB 3.92Å; F5-R14 HydrophobicContact CE1-CG 4.17Å; F5-R14 HydrophobicContact CZ-CB 4.01Å; F5-R14 HydrophobicContact CZ-CG 4Å; N10-R14 VanDerWaalsContact O-CB 3.27Å; N10-R14 WeakPolarHBondContact O-CB 3.14Å; N10-R14 PolarHBondContact O-N 3.48Å; A11-R14 PolarHBondContact O-N 2.93Å; R14-E17 WeakPolarHBondContact CD-OE2 3.32Å; R14-E17 IonicContact CZ-OE2 3.66Å; R14-E17 IonicContact NE-OE2 3.74Å; R14-E17 IonicContact NH1-OE2 3.96Å; R14-E17 PolarHBondContact NH1-OE2 2.84Å; R14-F18 HydrophobicContact CG-CE2 4.21Å; R14-F18 WeakPolarHBondContact O-CD2 3.24Å; R14-F18 PolarHBondContact O-N 2.82Å; R14-V30 HydrophobicContact CB-CG1 4.14Å; R14-V30 HydrophobicContact CG-CG1 4.31Å; R14-V30 HydrophobicContact CG-CG2 4.29Å |
| 15 | A | 92.9 | Very high | 91 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.8 | -47 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | A11 L12 K13 E17 F18 L19 A27 L31 | A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.75Å; L12-A15 PolarHBondContact O-N 2.94Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.49Å; A15-E17 PolarHBondContact O-N 2.95Å; A15-F18 PolarHBondContact O-N 3.01Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 3.4Å; A15-A27 HydrophobicContact CB-CB 4.21Å; A15-L31 HydrophobicContact CB-CD1 3.88Å; A15-L31 HydrophobicContact CB-CD2 3.87Å; A15-L31 HydrophobicContact CB-CG 3.82Å |
| 16 | N | 93.7 | Very high | 91.4 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 31% | 0.305 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 175.8 | -70.6 | 2.6 | 0 | 0 | 0 | 112.1 | L12 K13 F18 L19 E20 | L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 PolarHBondContact O-OD1 3.23Å; K13-N16 WeakPolarHBondContact O-CB 3.47Å; K13-N16 PolarHBondContact O-N 3.39Å; K13-N16 VanDerWaalsContact O-N 3.1Å; N16-F18 PolarHBondContact O-N 3.14Å; N16-L19 CarbonylContact O-C 3.39Å; N16-L19 WeakPolarHBondContact O-CA 3.41Å; N16-L19 PolarHBondContact O-N 3.31Å; N16-E20 WeakPolarHBondContact O-CG 3.39Å; N16-E20 PolarHBondContact O-N 3.29Å |
| 17 | E | 93.5 | Very high | 91.9 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.3 | -39.8 | 172.9 | -70.5 | 162.3 | -142.4 | 0 | 0 | 112 | K13 R14 A15 V21 | K13-E17 WeakPolarHBondContact O-CG 3.21Å; K13-E17 PolarHBondContact O-N 2.83Å; R14-E17 WeakPolarHBondContact CD-OE2 3.32Å; R14-E17 IonicContact CZ-OE2 3.66Å; R14-E17 IonicContact NE-OE2 3.74Å; R14-E17 IonicContact NH1-OE2 3.96Å; R14-E17 PolarHBondContact NH1-OE2 2.84Å; A15-E17 PolarHBondContact O-N 2.95Å; E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 2.97Å |
| 18 | F | 93.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.5 | -30.9 | 175.2 | -78.9 | -54.2 | 0 | 0 | 0 | 113.3 | R14 A15 N16 V21 G22 K23 P26 A27 V30 | R14-F18 HydrophobicContact CG-CE2 4.21Å; R14-F18 WeakPolarHBondContact O-CD2 3.24Å; R14-F18 PolarHBondContact O-N 2.82Å; A15-F18 PolarHBondContact O-N 3.01Å; N16-F18 PolarHBondContact O-N 3.14Å; F18-V21 CarbonylContact O-C 3.6Å; F18-V21 PolarHBondContact O-N 3.24Å; F18-G22 PolarHBondContact O-N 2.61Å; F18-K23 HydrophobicContact CB-CB 4.48Å; F18-K23 HydrophobicContact CD1-CB 4.39Å; F18-K23 WeakPolarHBondContact O-CA 3.38Å; F18-K23 PolarHBondContact O-N 3.44Å; F18-P26 HydrophobicContact CD1-CB 4.11Å; F18-P26 HydrophobicContact CD2-CB 4.18Å; F18-P26 HydrophobicContact CE1-CB 4.23Å; F18-P26 HydrophobicContact CE2-CB 4.29Å; F18-P26 HydrophobicContact CG-CB 4.11Å; F18-P26 HydrophobicContact CZ-CB 4.32Å; F18-A27 HydrophobicContact CB-CB 3.79Å; F18-V30 HydrophobicContact CD2-CG2 4.28Å; F18-V30 HydrophobicContact CE2-CG2 3.93Å |
| 19 | L | 94.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.9 | -34.9 | 176.5 | -63.4 | 175.6 | 0 | 0 | 0 | 112.8 | A15 N16 V21 G22 K24 A27 L57 | A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 3.4Å; N16-L19 CarbonylContact O-C 3.39Å; N16-L19 WeakPolarHBondContact O-CA 3.41Å; N16-L19 PolarHBondContact O-N 3.31Å; L19-V21 PolarHBondContact O-N 2.64Å; L19-G22 WeakPolarHBondContact O-CA 3.45Å; L19-G22 PolarHBondContact O-N 2.87Å; L19-K24 HydrophobicContact CD2-CB 4.32Å; L19-K24 HydrophobicContact CD2-CG 3.87Å; L19-A27 HydrophobicContact CD2-CB 3.75Å; L19-A27 HydrophobicContact CG-CB 3.92Å; L19-L57 HydrophobicContact CD1-CD1 4.29Å; L19-L57 HydrophobicContact CD1-CD2 4.21Å; L19-L57 HydrophobicContact CD2-CD1 4.03Å; L19-L57 HydrophobicContact CD2-CD2 3.52Å; L19-L57 HydrophobicContact CD2-CG 4.42Å |
| 20 | E | 94.1 | Very high | 92.8 | Very high | 163 Ų | 163 | 61.9 Ų | 61.9 | 76% | 0.762 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | 170 | -72.1 | 166 | -160.5 | 0 | 0 | 111.4 | N16 G22 | N16-E20 WeakPolarHBondContact O-CG 3.39Å; N16-E20 PolarHBondContact O-N 3.29Å; E20-G22 VanDerWaalsContact C-N 3.3Å |
| 21 | V | 93.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 8.1 | 173.3 | -176 | 0 | 0 | 0 | 0 | 112.1 | E17 F18 L19 K23 | E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 2.97Å; F18-V21 CarbonylContact O-C 3.6Å; F18-V21 PolarHBondContact O-N 3.24Å; L19-V21 PolarHBondContact O-N 2.64Å; V21-K23 HydrophobicContact CG1-CD 4.1Å; V21-K23 HydrophobicContact CG1-CG 4.31Å; V21-K23 PolarHBondContact O-N 3.04Å |
| 22 | G | 92.3 | Very high | 93.2 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 1.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F18 L19 E20 K24 | F18-G22 PolarHBondContact O-N 2.61Å; L19-G22 WeakPolarHBondContact O-CA 3.45Å; L19-G22 PolarHBondContact O-N 2.87Å; E20-G22 VanDerWaalsContact C-N 3.3Å; G22-K24 PolarHBondContact O-N 3.08Å |
| 23 | K | 93.9 | Very high | 93.1 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | trans | -85.5 | 70.2 | -172.5 | -71.1 | -178.2 | 179.3 | -179.9 | 0 | 112.2 | F18 V21 Q25 P26 A27 | F18-K23 HydrophobicContact CB-CB 4.48Å; F18-K23 HydrophobicContact CD1-CB 4.39Å; F18-K23 WeakPolarHBondContact O-CA 3.38Å; F18-K23 PolarHBondContact O-N 3.44Å; V21-K23 HydrophobicContact CG1-CD 4.1Å; V21-K23 HydrophobicContact CG1-CG 4.31Å; V21-K23 PolarHBondContact O-N 3.04Å; K23-Q25 PolarHBondContact O-N 3.23Å; K23-P26 HydrophobicContact CB-CG 4.16Å; K23-P26 WeakPolarHBondContact O-CD 3.41Å; K23-A27 PolarHBondContact O-N 3.47Å | ||
| 24 | K | 94.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.6 | -38.8 | -178.2 | -63.5 | -169.5 | -179.3 | -175.9 | 0 | 114.7 | L19 G22 A27 L28 L57 D60 L61 | L19-K24 HydrophobicContact CD2-CB 4.32Å; L19-K24 HydrophobicContact CD2-CG 3.87Å; G22-K24 PolarHBondContact O-N 3.08Å; K24-A27 PolarHBondContact O-N 3.01Å; K24-L28 PolarHBondContact O-N 3.35Å; K24-L57 HydrophobicContact CB-CD2 4.32Å; K24-L57 HydrophobicContact CD-CD2 4.39Å; K24-L57 HydrophobicContact CG-CD2 4.26Å; K24-D60 HydrophobicContact CD-CB 4.45Å; K24-D60 IonicContact NZ-OD2 2.81Å; K24-D60 PolarHBondContact NZ-OD2 3.01Å; K24-L61 HydrophobicContact CB-CD1 4.03Å; K24-L61 HydrophobicContact CB-CD2 4.1Å; K24-L61 HydrophobicContact CB-CG 4.26Å |
| 25 | Q | 94.1 | Very high | 93 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.8 | -53 | -178.8 | -178.6 | 72.3 | 60.8 | 0 | 0 | 112.2 | K23 A27 L28 D29 L61 | K23-Q25 PolarHBondContact O-N 3.23Å; Q25-A27 PolarHBondContact O-N 3.31Å; Q25-L28 WeakPolarHBondContact O-CA 3.07Å; Q25-L28 WeakPolarHBondContact O-CB 3.36Å; Q25-L28 PolarHBondContact O-N 2.98Å; Q25-D29 PolarHBondContact NE2-OD1 3.43Å; Q25-D29 PolarHBondContact O-N 3.47Å; Q25-L61 HydrophobicContact CB-CD1 4.2Å |
| 26 | P | 93.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.4 | -33.5 | 171.4 | -30.5 | 36.4 | 0 | 0 | 0 | 115.1 | F18 K23 V30 | F18-P26 HydrophobicContact CD1-CB 4.11Å; F18-P26 HydrophobicContact CD2-CB 4.18Å; F18-P26 HydrophobicContact CE1-CB 4.23Å; F18-P26 HydrophobicContact CE2-CB 4.29Å; F18-P26 HydrophobicContact CG-CB 4.11Å; F18-P26 HydrophobicContact CZ-CB 4.32Å; K23-P26 HydrophobicContact CB-CG 4.16Å; K23-P26 WeakPolarHBondContact O-CD 3.41Å; P26-V30 WeakPolarHBondContact O-CB 3.42Å; P26-V30 WeakPolarHBondContact O-CG2 3.49Å; P26-V30 PolarHBondContact O-N 2.96Å; P26-V30 VanDerWaalsContact O-N 3.14Å |
| 27 | A | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 F18 L19 K23 K24 Q25 L31 L57 | A15-A27 HydrophobicContact CB-CB 4.21Å; F18-A27 HydrophobicContact CB-CB 3.79Å; L19-A27 HydrophobicContact CD2-CB 3.75Å; L19-A27 HydrophobicContact CG-CB 3.92Å; K23-A27 PolarHBondContact O-N 3.47Å; K24-A27 PolarHBondContact O-N 3.01Å; Q25-A27 PolarHBondContact O-N 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.29Å; A27-L57 HydrophobicContact CB-CD1 3.75Å |
| 28 | L | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.2 | -171.7 | 163.5 | 0 | 0 | 0 | 111.2 | K24 Q25 V30 L31 Y32 Y54 L57 L61 L66 | K24-L28 PolarHBondContact O-N 3.35Å; Q25-L28 WeakPolarHBondContact O-CA 3.07Å; Q25-L28 WeakPolarHBondContact O-CB 3.36Å; Q25-L28 PolarHBondContact O-N 2.98Å; L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-L31 VanDerWaalsContact O-N 3.09Å; L28-Y32 PolarHBondContact O-N 2.86Å; L28-Y54 HydrophobicContact CD2-CD2 4.41Å; L28-Y54 HydrophobicContact CD2-CE2 3.67Å; L28-Y54 HydrophobicContact CG-CD2 4.2Å; L28-Y54 HydrophobicContact CG-CE2 3.92Å; L28-L57 HydrophobicContact CB-CB 4.24Å; L28-L57 HydrophobicContact CB-CD1 4.36Å; L28-L57 HydrophobicContact CD1-CB 4.18Å; L28-L57 HydrophobicContact CG-CB 4.42Å; L28-L61 HydrophobicContact CD1-CD1 3.93Å; L28-L66 HydrophobicContact CD1-CD1 4.4Å; L28-L66 HydrophobicContact CD2-CB 4.42Å; L28-L66 HydrophobicContact CD2-CD1 3.56Å |
| 29 | D | 93.2 | Very high | 91.8 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | -178.4 | -57.6 | -30.9 | 0 | 0 | 0 | 111.6 | Q25 L31 Y32 D33 | Q25-D29 PolarHBondContact NE2-OD1 3.43Å; Q25-D29 PolarHBondContact O-N 3.47Å; D29-L31 PolarHBondContact O-N 3.11Å; D29-Y32 PolarHBondContact O-N 2.81Å; D29-D33 PolarHBondContact O-N 2.88Å |
| 30 | V | 92.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 174 | 153.2 | 0 | 0 | 0 | 0 | 112.9 | A3 F5 A11 R14 F18 P26 L28 V34 | A3-V30 HydrophobicContact CB-CG2 4.42Å; F5-V30 HydrophobicContact CE2-CG1 3.87Å; F5-V30 HydrophobicContact CZ-CG1 3.64Å; F5-V30 HydrophobicContact CZ-CG2 4.33Å; A11-V30 HydrophobicContact CB-CG1 4.05Å; R14-V30 HydrophobicContact CB-CG1 4.14Å; R14-V30 HydrophobicContact CG-CG1 4.31Å; R14-V30 HydrophobicContact CG-CG2 4.29Å; F18-V30 HydrophobicContact CD2-CG2 4.28Å; F18-V30 HydrophobicContact CE2-CG2 3.93Å; P26-V30 WeakPolarHBondContact O-CB 3.42Å; P26-V30 WeakPolarHBondContact O-CG2 3.49Å; P26-V30 PolarHBondContact O-N 2.96Å; P26-V30 VanDerWaalsContact O-N 3.14Å; L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.48Å; V30-V34 PolarHBondContact O-N 3.34Å |
| 31 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.1 | -37.3 | 180 | -63.2 | 171.9 | 0 | 0 | 0 | 111 | A11 A15 A27 L28 D29 V34 I35 I50 K53 Y54 L57 | A11-L31 HydrophobicContact CB-CD2 4.47Å; A15-L31 HydrophobicContact CB-CD1 3.88Å; A15-L31 HydrophobicContact CB-CD2 3.87Å; A15-L31 HydrophobicContact CB-CG 3.82Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.29Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-L31 VanDerWaalsContact O-N 3.09Å; D29-L31 PolarHBondContact O-N 3.11Å; L31-V34 PolarHBondContact O-N 2.82Å; L31-I35 WeakPolarHBondContact O-CD1 3.4Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.99Å; L31-I50 HydrophobicContact CD2-CG2 4.2Å; L31-K53 HydrophobicContact CD1-CB 4.38Å; L31-Y54 HydrophobicContact CB-CD2 3.8Å; L31-Y54 HydrophobicContact CB-CG 4.43Å; L31-L57 HydrophobicContact CD1-CD1 4.36Å |
| 32 | Y | 93.2 | Very high | 90.7 | Very high | 38 Ų | 38 | 60 Ų | 60 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 173.6 | 179.8 | -106.4 | 0 | 0 | 0 | 112 | L28 D29 V34 I35 K36 Y54 L66 E69 | L28-Y32 PolarHBondContact O-N 2.86Å; D29-Y32 PolarHBondContact O-N 2.81Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 2.91Å; Y32-I35 PolarHBondContact O-N 3.24Å; Y32-K36 HydrophobicContact CD1-CD 4.25Å; Y32-K36 HydrophobicContact CE1-CD 3.54Å; Y32-K36 HydrophobicContact CE2-CD 4.49Å; Y32-K36 VanDerWaalsContact O-CB 3.22Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.45Å; Y32-K36 PolarHBondContact OH-NZ 2.97Å; Y32-Y54 HydrophobicContact CD2-CE2 4.45Å; Y32-Y54 WeakPolarHBondContact CD2-OH 3.42Å; Y32-L66 HydrophobicContact CE2-CD2 4.39Å; Y32-E69 HydrophobicContact CE2-CB 4.18Å; Y32-E69 PolarHBondContact OH-OE2 3.24Å |
| 33 | D | 91.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 177.3 | -94.5 | -12.1 | 0 | 0 | 0 | 112.5 | P2 A3 D29 S37 | P2-D33 WeakPolarHBondContact CA-OD2 3.46Å; P2-D33 WeakPolarHBondContact CB-OD2 3.46Å; A3-D33 PolarHBondContact N-OD2 2.73Å; D29-D33 PolarHBondContact O-N 2.88Å; D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.48Å |
| 34 | V | 90.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.8 | -43.1 | 176.1 | 169.3 | 0 | 0 | 0 | 0 | 112.5 | F5 P8 A11 V30 L31 Y32 K36 S37 | F5-V34 HydrophobicContact CB-CG2 4.09Å; F5-V34 HydrophobicContact CD2-CG2 3.32Å; F5-V34 HydrophobicContact CE2-CG2 3.99Å; F5-V34 HydrophobicContact CG-CG2 3.94Å; P8-V34 HydrophobicContact CB-CG1 4.01Å; A11-V34 HydrophobicContact CB-CB 4.29Å; A11-V34 HydrophobicContact CB-CG2 3.45Å; A11-V34 VanDerWaalsContact CB-CG2 3.45Å; V30-V34 PolarHBondContact O-N 3.34Å; L31-V34 PolarHBondContact O-N 2.82Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 2.91Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.37Å; V34-S37 VanDerWaalsContact O-CB 3.3Å; V34-S37 WeakPolarHBondContact O-CB 3.26Å; V34-S37 PolarHBondContact O-N 2.77Å |
| 35 | I | 89.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -32.9 | 177.1 | -67.9 | 159.6 | 0 | 0 | 0 | 111.1 | L31 Y32 I50 M51 Y54 Q73 | L31-I35 WeakPolarHBondContact O-CD1 3.4Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.99Å; Y32-I35 PolarHBondContact O-N 3.24Å; I35-I50 HydrophobicContact CD1-CG2 4.28Å; I35-I50 HydrophobicContact CG1-CG2 4.2Å; I35-M51 HydrophobicContact CD1-SD 3.59Å; I35-M51 VanDerWaalsContact CD1-SD 3.59Å; I35-M51 HydrophobicContact CG1-SD 4.32Å; I35-Y54 HydrophobicContact CD1-CD1 3.88Å; I35-Y54 HydrophobicContact CD1-CD2 4.06Å; I35-Y54 HydrophobicContact CD1-CE1 4.36Å; I35-Y54 HydrophobicContact CD1-CG 3.7Å; I35-Q73 HydrophobicContact CG2-CB 3.71Å; I35-Q73 HydrophobicContact CG2-CG 4.46Å |
| 36 | K | 90.4 | Very high | 90 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -82.2 | -15.3 | 177.6 | -163.2 | 167.8 | -175.1 | 172.9 | 0 | 113.4 | Y32 V34 K38 | Y32-K36 HydrophobicContact CD1-CD 4.25Å; Y32-K36 HydrophobicContact CE1-CD 3.54Å; Y32-K36 HydrophobicContact CE2-CD 4.49Å; Y32-K36 VanDerWaalsContact O-CB 3.22Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.45Å; Y32-K36 PolarHBondContact OH-NZ 2.97Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.37Å; K36-K38 PolarHBondContact O-N 3.45Å |
| 37 | S | 88.7 | Confident | 90 | Very high | 27 Ų | 27 | 59 Ų | 59 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -63.2 | 126.7 | -175.6 | 179.4 | 0 | 0 | 0 | 0 | 113.1 | D33 V34 K39 H40 | D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.48Å; V34-S37 VanDerWaalsContact O-CB 3.3Å; V34-S37 WeakPolarHBondContact O-CB 3.26Å; V34-S37 PolarHBondContact O-N 2.77Å; S37-K39 PolarHBondContact O-N 3.41Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 2.64Å; S37-H40 PolarHBondContact O-N 2.86Å | ||
| 38 | K | 84.8 | Confident | 89.9 | Confident | 173 Ų | 173 | 61.6 Ų | 61.6 | 75% | 0.752 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20 | 174.1 | -69.1 | -177.3 | -179 | 176.8 | 0 | 113.7 | K36 R41 | K36-K38 PolarHBondContact O-N 3.45Å; K38-R41 WeakPolarHBondContact O-CD 3.2Å |
| 39 | K | 84.6 | Confident | 89.9 | Confident | 141 Ų | 141 | 64.1 Ų | 64.1 | 61% | 0.613 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -29.5 | -176.6 | -61.2 | -167.9 | -176.4 | -174.9 | 0 | 113.3 | Y4 S37 R41 | Y4-K39 HydrophobicContact CE2-CD 3.98Å; Y4-K39 WeakPolarHBondContact OH-CD 3.5Å; Y4-K39 PolarHBondContact OH-NZ 3.12Å; S37-K39 PolarHBondContact O-N 3.41Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 2.64Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 3.43Å |
| 40 | H | 85.3 | Confident | 89.9 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -98.7 | 42 | -178.2 | -55.6 | -45.4 | 0 | 0 | 0 | 111.4 | F5 S37 H47 | F5-H40 PolarHBondContact O-NE2 3.37Å; S37-H40 PolarHBondContact O-N 2.86Å; H40-H47 PolarHBondContact O-CE1 3.39Å |
| 41 | R | 84.9 | Confident | 90.1 | Very high | 147 Ų | 147 | 60.3 Ų | 60.3 | 56% | 0.555 | 28% | 0.28 | S | S | * | . | trans | -87.9 | -19.7 | -176.5 | -80.7 | -176.6 | 166 | -161.5 | -7.5 | 114.8 | K38 K39 | K38-R41 WeakPolarHBondContact O-CD 3.2Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 3.43Å | ||
| 42 | T | 87.2 | Confident | 90.2 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 66% | 0.656 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -81.8 | 123.5 | 174.3 | -51.7 | 0 | 0 | 0 | 0 | 108.7 | Q44 | T42-Q44 PolarHBondContact O-N 2.99Š|
| 43 | W | 90.6 | Very high | 90.3 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | trans | -58.2 | 133.8 | -179.5 | -175.8 | 93.1 | 0 | 0 | 0 | 111.8 | I77 V81 N82 S85 | W43-I77 HydrophobicContact CB-CG2 3.86Å; W43-I77 HydrophobicContact CG-CG2 4.48Å; W43-V81 HydrophobicContact CB-CB 4.13Å; W43-V81 HydrophobicContact CB-CG1 4.27Å; W43-V81 HydrophobicContact CB-CG2 4.34Å; W43-V81 HydrophobicContact CD2-CG1 4.39Å; W43-V81 HydrophobicContact CE3-CG1 3.91Å; W43-N82 HydrophobicContact CD2-CB 4.34Å; W43-N82 HydrophobicContact CH2-CB 4.29Å; W43-N82 HydrophobicContact CZ2-CB 4.11Å; W43-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W43-N82 HydrophobicContact CZ3-CB 4.47Å; W43-S85 PolarHBondContact NE1-OG 2.75Å | ||
| 44 | Q | 89.5 | Confident | 90.5 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | trans | -134.6 | 152.1 | 173 | -43 | 173.9 | 4.8 | 0 | 0 | 108 | T42 I46 H47 | T42-Q44 PolarHBondContact O-N 2.99Å; Q44-I46 HydrophobicContact CB-CG2 4.17Å; Q44-I46 PolarHBondContact O-N 3.35Å; Q44-H47 WeakPolarHBondContact O-CB 3.28Å; Q44-H47 PolarHBondContact O-N 2.98Å | ||
| 45 | K | 89.8 | Confident | 90.8 | Very high | 164 Ų | 164 | 62.5 Ų | 62.5 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.2 | -177.1 | -168.7 | 176.6 | -179.1 | -178.2 | 0 | 114 | H47 E48 P49 | K45-H47 VanDerWaalsContact C-N 3.29Å; K45-H47 PolarHBondContact O-N 2.85Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-P49 WeakPolarHBondContact O-CD 3.14Å |
| 46 | I | 90.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.9 | 178.3 | -169.9 | 60.4 | 0 | 0 | 0 | 114.1 | P8 E9 L12 Q44 E48 P49 I50 | P8-I46 HydrophobicContact CB-CG2 4.24Å; P8-I46 HydrophobicContact CG-CG2 3.75Å; E9-I46 HydrophobicContact CG-CG1 4.13Å; L12-I46 HydrophobicContact CD1-CD1 4.28Å; Q44-I46 HydrophobicContact CB-CG2 4.17Å; Q44-I46 PolarHBondContact O-N 3.35Å; I46-E48 PolarHBondContact O-N 3.19Å; I46-P49 WeakPolarHBondContact O-CD 3.4Å; I46-I50 HydrophobicContact CG1-CD1 4.03Å; I46-I50 HydrophobicContact CG1-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.47Å |
| 47 | H | 91.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -24.9 | 177.4 | -76.4 | -97.9 | 0 | 0 | 0 | 113 | H40 Q44 K45 M51 Y74 | H40-H47 PolarHBondContact O-CE1 3.39Å; Q44-H47 WeakPolarHBondContact O-CB 3.28Å; Q44-H47 PolarHBondContact O-N 2.98Å; K45-H47 VanDerWaalsContact C-N 3.29Å; K45-H47 PolarHBondContact O-N 2.85Å; H47-M51 VanDerWaalsContact O-CB 3.25Å; H47-M51 WeakPolarHBondContact O-CB 3.43Å; H47-M51 PolarHBondContact O-N 3.01Å; H47-Y74 HydrophobicContact CB-CE2 4Å |
| 48 | E | 92.8 | Very high | 91.7 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.7 | -52.9 | 178.5 | 179.4 | -176.7 | 112 | 0 | 0 | 111.7 | K45 I46 I50 M51 L52 S85 V89 | K45-E48 PolarHBondContact O-N 2.93Å; I46-E48 PolarHBondContact O-N 3.19Å; E48-I50 VanDerWaalsContact C-N 3.31Å; E48-I50 PolarHBondContact O-N 3.47Å; E48-M51 PolarHBondContact O-N 3.42Å; E48-M51 VanDerWaalsContact O-N 3.09Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.22Å; E48-S85 WeakPolarHBondContact OE2-CB 3.42Å; E48-S85 PolarHBondContact OE2-OG 2.91Å; E48-V89 HydrophobicContact CG-CG2 4.09Å |
| 49 | P | 94.4 | Very high | 92.2 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 34% | 0.344 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.1 | -39.2 | 167.7 | -29.3 | 35.6 | 0 | 0 | 0 | 114.9 | L12 K45 I46 M51 K53 | L12-P49 HydrophobicContact CD1-CB 3.8Å; K45-P49 WeakPolarHBondContact O-CD 3.14Å; I46-P49 WeakPolarHBondContact O-CD 3.4Å; P49-M51 VanDerWaalsContact C-N 3.35Å; P49-K53 PolarHBondContact O-N 2.97Å |
| 50 | I | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.9 | -76.7 | 169.4 | 0 | 0 | 0 | 110.5 | P8 L12 L31 I35 I46 E48 Y54 | P8-I50 HydrophobicContact CB-CD1 3.77Å; P8-I50 WeakPolarHBondContact O-CD1 3.28Å; L12-I50 HydrophobicContact CB-CG1 4.17Å; L12-I50 HydrophobicContact CD1-CG1 4.1Å; L31-I50 HydrophobicContact CD2-CG2 4.2Å; I35-I50 HydrophobicContact CD1-CG2 4.28Å; I35-I50 HydrophobicContact CG1-CG2 4.2Å; I46-I50 HydrophobicContact CG1-CD1 4.03Å; I46-I50 HydrophobicContact CG1-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.47Å; E48-I50 VanDerWaalsContact C-N 3.31Å; E48-I50 PolarHBondContact O-N 3.47Å; I50-Y54 WeakPolarHBondContact O-CB 3.49Å; I50-Y54 PolarHBondContact O-N 2.88Å |
| 51 | M | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.8 | -36.7 | -177.3 | -162.1 | 65 | -158.4 | 0 | 0 | 112.2 | I35 H47 E48 P49 Y54 L55 L71 Y74 V89 | I35-M51 HydrophobicContact CD1-SD 3.59Å; I35-M51 VanDerWaalsContact CD1-SD 3.59Å; I35-M51 HydrophobicContact CG1-SD 4.32Å; H47-M51 VanDerWaalsContact O-CB 3.25Å; H47-M51 WeakPolarHBondContact O-CB 3.43Å; H47-M51 PolarHBondContact O-N 3.01Å; E48-M51 PolarHBondContact O-N 3.42Å; E48-M51 VanDerWaalsContact O-N 3.09Å; P49-M51 VanDerWaalsContact C-N 3.35Å; M51-Y54 HydrophobicContact CE-CD1 3.59Å; M51-Y54 HydrophobicContact CE-CE1 3.97Å; M51-Y54 PolarHBondContact O-N 2.93Å; M51-Y54 HydrophobicContact SD-CD1 3.97Å; M51-L55 HydrophobicContact CE-CD1 3.8Å; M51-L55 HydrophobicContact CE-CD2 4.02Å; M51-L55 HydrophobicContact CE-CG 3.87Å; M51-L55 HydrophobicContact CG-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.49Å; M51-L55 WeakPolarHBondContact O-CD1 3.37Å; M51-L55 VanDerWaalsContact O-CG 3.26Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.47Å; M51-L71 HydrophobicContact CE-CB 4.45Å; M51-L71 HydrophobicContact CE-CD2 3.98Å; M51-L71 HydrophobicContact CE-CG 3.95Å; M51-Y74 HydrophobicContact CB-CD2 3.97Å; M51-Y74 HydrophobicContact CB-CE2 3.85Å; M51-Y74 HydrophobicContact CB-CG 4.38Å; M51-Y74 HydrophobicContact CG-CD1 4.02Å; M51-Y74 HydrophobicContact CG-CD2 3.84Å; M51-Y74 HydrophobicContact CG-CE1 4.33Å; M51-Y74 HydrophobicContact CG-CE2 4.14Å; M51-Y74 HydrophobicContact CG-CG 3.77Å; M51-Y74 HydrophobicContact SD-CD2 4.07Å; M51-Y74 HydrophobicContact SD-CG 4Å; M51-V89 HydrophobicContact CB-CG1 4.23Å; M51-V89 HydrophobicContact CB-CG2 4.47Å; M51-V89 HydrophobicContact CG-CG1 3.61Å |
| 52 | L | 95.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -51.9 | 173 | -69.7 | 172.6 | 0 | 0 | 0 | 111.4 | E48 Y54 L55 E56 V89 A92 | E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.22Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 PolarHBondContact O-N 3.25Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-E56 WeakPolarHBondContact O-CB 3.47Å; L52-E56 PolarHBondContact O-N 2.69Å; L52-V89 HydrophobicContact CD2-CG2 4.13Å; L52-V89 HydrophobicContact CG-CG2 4.29Å; L52-A92 HydrophobicContact CD2-CB 3.57Å |
| 53 | K | 95.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.296 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 176.7 | -84.1 | -71.6 | 173.4 | -150.8 | 0 | 112.9 | L31 P49 E56 L57 | L31-K53 HydrophobicContact CD1-CB 4.38Å; P49-K53 PolarHBondContact O-N 2.97Å; K53-E56 WeakPolarHBondContact CD-OE2 3.23Å; K53-E56 WeakPolarHBondContact CE-OE2 3.37Å; K53-E56 IonicContact NZ-OE1 2.67Å; K53-E56 PolarHBondContact NZ-OE1 3.26Å; K53-E56 IonicContact NZ-OE2 3.66Å; K53-E56 PolarHBondContact NZ-OE2 2.75Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.29Å |
| 54 | Y | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 173.2 | 175.4 | -103.2 | 0 | 0 | 0 | 112 | L28 L31 Y32 I35 I50 M51 L52 L57 C58 L66 | L28-Y54 HydrophobicContact CD2-CD2 4.41Å; L28-Y54 HydrophobicContact CD2-CE2 3.67Å; L28-Y54 HydrophobicContact CG-CD2 4.2Å; L28-Y54 HydrophobicContact CG-CE2 3.92Å; L31-Y54 HydrophobicContact CB-CD2 3.8Å; L31-Y54 HydrophobicContact CB-CG 4.43Å; Y32-Y54 HydrophobicContact CD2-CE2 4.45Å; Y32-Y54 WeakPolarHBondContact CD2-OH 3.42Å; I35-Y54 HydrophobicContact CD1-CD1 3.88Å; I35-Y54 HydrophobicContact CD1-CD2 4.06Å; I35-Y54 HydrophobicContact CD1-CE1 4.36Å; I35-Y54 HydrophobicContact CD1-CG 3.7Å; I50-Y54 WeakPolarHBondContact O-CB 3.49Å; I50-Y54 PolarHBondContact O-N 2.88Å; M51-Y54 HydrophobicContact CE-CD1 3.59Å; M51-Y54 HydrophobicContact CE-CE1 3.97Å; M51-Y54 PolarHBondContact O-N 2.93Å; M51-Y54 HydrophobicContact SD-CD1 3.97Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 PolarHBondContact O-N 3.25Å; Y54-L57 PolarHBondContact O-N 2.98Å; Y54-C58 PolarHBondContact O-N 3.02Å; Y54-C58 PolarHBondContact O-SG 3.03Å; Y54-L66 WeakPolarHBondContact OH-CB 3.46Å; Y54-L66 PolarHBondContact OH-O 3.16Å |
| 55 | L | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.4 | -37.4 | -178.4 | -71 | 161.3 | 0 | 0 | 0 | 112.3 | M51 L52 L57 C58 V59 A67 L71 V89 Y93 | M51-L55 HydrophobicContact CE-CD1 3.8Å; M51-L55 HydrophobicContact CE-CD2 4.02Å; M51-L55 HydrophobicContact CE-CG 3.87Å; M51-L55 HydrophobicContact CG-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.49Å; M51-L55 WeakPolarHBondContact O-CD1 3.37Å; M51-L55 VanDerWaalsContact O-CG 3.26Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.47Å; L52-L55 PolarHBondContact O-N 2.95Å; L55-L57 VanDerWaalsContact C-N 3.3Å; L55-L57 PolarHBondContact O-N 2.7Å; L55-C58 WeakPolarHBondContact O-CB 3.3Å; L55-C58 PolarHBondContact O-N 3.07Å; L55-C58 VanDerWaalsContact O-N 3.11Å; L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.34Å; L55-A67 HydrophobicContact CD2-CB 3.84Å; L55-L71 HydrophobicContact CD1-CD2 3.89Å; L55-L71 HydrophobicContact CD1-CG 4.41Å; L55-L71 HydrophobicContact CD2-CD1 4.13Å; L55-L71 HydrophobicContact CD2-CD2 4.39Å; L55-L71 HydrophobicContact CD2-CG 4.01Å; L55-V89 HydrophobicContact CD1-CG1 3.4Å; L55-Y93 HydrophobicContact CB-CD2 4.02Å; L55-Y93 HydrophobicContact CB-CG 4.5Å; L55-Y93 HydrophobicContact CD2-CD2 3.77Å; L55-Y93 HydrophobicContact CD2-CE2 4.08Å; L55-Y93 HydrophobicContact CD2-CG 4Å; L55-Y93 HydrophobicContact CG-CD2 4.39Å |
| 56 | E | 95.9 | Very high | 94.5 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 30% | 0.304 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.2 | -48.1 | 169.7 | -172.7 | -173.8 | 130.7 | 0 | 0 | 111.2 | L52 K53 V59 D60 L96 | L52-E56 WeakPolarHBondContact O-CB 3.47Å; L52-E56 PolarHBondContact O-N 2.69Å; K53-E56 WeakPolarHBondContact CD-OE2 3.23Å; K53-E56 WeakPolarHBondContact CE-OE2 3.37Å; K53-E56 IonicContact NZ-OE1 2.67Å; K53-E56 PolarHBondContact NZ-OE1 3.26Å; K53-E56 IonicContact NZ-OE2 3.66Å; K53-E56 PolarHBondContact NZ-OE2 2.75Å; E56-V59 PolarHBondContact O-N 3.35Å; E56-D60 PolarHBondContact O-N 3.21Å; E56-L96 HydrophobicContact CB-CD1 4.42Å |
| 57 | L | 95 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -32.7 | 175.9 | -61.5 | 179.3 | 0 | 0 | 0 | 113.4 | L19 K24 A27 L28 L31 K53 Y54 L55 V59 L61 | L19-L57 HydrophobicContact CD1-CD1 4.29Å; L19-L57 HydrophobicContact CD1-CD2 4.21Å; L19-L57 HydrophobicContact CD2-CD1 4.03Å; L19-L57 HydrophobicContact CD2-CD2 3.52Å; L19-L57 HydrophobicContact CD2-CG 4.42Å; K24-L57 HydrophobicContact CB-CD2 4.32Å; K24-L57 HydrophobicContact CD-CD2 4.39Å; K24-L57 HydrophobicContact CG-CD2 4.26Å; A27-L57 HydrophobicContact CB-CD1 3.75Å; L28-L57 HydrophobicContact CB-CB 4.24Å; L28-L57 HydrophobicContact CB-CD1 4.36Å; L28-L57 HydrophobicContact CD1-CB 4.18Å; L28-L57 HydrophobicContact CG-CB 4.42Å; L31-L57 HydrophobicContact CD1-CD1 4.36Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.29Å; Y54-L57 PolarHBondContact O-N 2.98Å; L55-L57 VanDerWaalsContact C-N 3.3Å; L55-L57 PolarHBondContact O-N 2.7Å; L57-V59 VanDerWaalsContact C-N 3.33Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.94Å |
| 58 | C | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 172.8 | -67 | 0 | 0 | 0 | 0 | 112.3 | Y54 L55 R62 K63 A67 | Y54-C58 PolarHBondContact O-N 3.02Å; Y54-C58 PolarHBondContact O-SG 3.03Å; L55-C58 WeakPolarHBondContact O-CB 3.3Å; L55-C58 PolarHBondContact O-N 3.07Å; L55-C58 VanDerWaalsContact O-N 3.11Å; C58-R62 CarbonylContact O-C 3.56Å; C58-R62 WeakPolarHBondContact O-CA 3.41Å; C58-R62 PolarHBondContact O-N 3.42Å; C58-R62 VanDerWaalsContact O-N 3.09Å; C58-K63 PolarHBondContact O-N 3.28Å; C58-A67 HydrophobicContact CB-CB 3.89Å |
| 59 | V | 96 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.5 | -53 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | L55 E56 L57 L61 R62 Y93 L96 K100 W149 F152 | L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.34Å; E56-V59 PolarHBondContact O-N 3.35Å; L57-V59 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.18Å; V59-R62 PolarHBondContact O-N 3.01Å; V59-Y93 HydrophobicContact CG2-CD2 3.69Å; V59-Y93 HydrophobicContact CG2-CE2 3.61Å; V59-L96 HydrophobicContact CG2-CB 4.45Å; V59-K100 HydrophobicContact CG1-CB 4.29Å; V59-K100 HydrophobicContact CG1-CG 3.84Å; V59-W149 HydrophobicContact CG1-CZ3 4.22Å; V59-W149 WeakPolarHBondContact O-CZ3 3.3Å; V59-F152 HydrophobicContact CB-CE1 4.31Å; V59-F152 HydrophobicContact CB-CZ 4.33Å; V59-F152 HydrophobicContact CG1-CE1 4.12Å; V59-F152 HydrophobicContact CG2-CE1 4.05Å; V59-F152 HydrophobicContact CG2-CZ 4.05Å |
| 60 | D | 93.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 24% | 0.235 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -35.1 | 179.8 | -100.7 | 6.1 | 0 | 0 | 0 | 113.2 | K24 E56 K100 | K24-D60 HydrophobicContact CD-CB 4.45Å; K24-D60 IonicContact NZ-OD2 2.81Å; K24-D60 PolarHBondContact NZ-OD2 3.01Å; E56-D60 PolarHBondContact O-N 3.21Å; D60-K100 WeakPolarHBondContact OD1-CE 3.32Å; D60-K100 IonicContact OD1-NZ 3.75Å; D60-K100 PolarHBondContact OD1-NZ 2.98Å |
| 61 | L | 94.2 | Very high | 95 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.267 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2 | 177.4 | -62.6 | 174.5 | 0 | 0 | 0 | 113.7 | K24 Q25 L28 L57 V59 K63 | K24-L61 HydrophobicContact CB-CD1 4.03Å; K24-L61 HydrophobicContact CB-CD2 4.1Å; K24-L61 HydrophobicContact CB-CG 4.26Å; Q25-L61 HydrophobicContact CB-CD1 4.2Å; L28-L61 HydrophobicContact CD1-CD1 3.93Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.94Å; V59-L61 PolarHBondContact O-N 3.18Å; L61-K63 HydrophobicContact CB-CG 3.75Å; L61-K63 PolarHBondContact O-N 2.95Å |
| 62 | R | 95.1 | Very high | 95 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 46% | 0.457 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30.8 | -177.2 | -58.7 | -178 | -69.1 | -162.1 | 1.5 | 114.1 | C58 V59 S64 W149 F152 | C58-R62 CarbonylContact O-C 3.56Å; C58-R62 WeakPolarHBondContact O-CA 3.41Å; C58-R62 PolarHBondContact O-N 3.42Å; C58-R62 VanDerWaalsContact O-N 3.09Å; V59-R62 PolarHBondContact O-N 3.01Å; R62-S64 PolarHBondContact O-N 3.37Å; R62-W149 HydrophobicContact CG-CE3 4Å; R62-W149 HydrophobicContact CG-CH2 3.69Å; R62-W149 HydrophobicContact CG-CZ2 4.23Å; R62-W149 HydrophobicContact CG-CZ3 3.56Å; R62-F152 HydrophobicContact CB-CD2 3.98Å; R62-F152 HydrophobicContact CB-CE2 4.42Å; R62-F152 HydrophobicContact CB-CG 4.44Å |
| 63 | K | 94.7 | Very high | 94.8 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | trans | -89.3 | 65.8 | -175.4 | -60.6 | -66.1 | -176.6 | 174 | 0 | 112.5 | C58 L61 H65 L66 A67 | C58-K63 PolarHBondContact O-N 3.28Å; L61-K63 HydrophobicContact CB-CG 3.75Å; L61-K63 PolarHBondContact O-N 2.95Å; K63-H65 VanDerWaalsContact C-N 3.3Å; K63-H65 PolarHBondContact O-N 3.15Å; K63-L66 HydrophobicContact CB-CB 4.17Å; K63-L66 HydrophobicContact CB-CD1 3.93Å; K63-L66 HydrophobicContact CB-CG 4.16Å; K63-L66 HydrophobicContact CG-CD1 4.17Å; K63-L66 PolarHBondContact O-N 3.22Å; K63-A67 PolarHBondContact O-N 3Å | ||
| 64 | S | 93.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -37 | -175.7 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | R62 L66 A67 K68 Q159 | R62-S64 PolarHBondContact O-N 3.37Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.76Å; S64-A67 WeakPolarHBondContact O-CB 3.28Å; S64-A67 PolarHBondContact O-N 3.32Å; S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 PolarHBondContact O-N 3.01Å; S64-Q159 PolarHBondContact O-OE1 2.74Å |
| 65 | H | 93.8 | Very high | 94.6 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 43% | 0.431 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -35.1 | 177.6 | 70.8 | -90.7 | 0 | 0 | 0 | 113.1 | K63 K68 E69 | K63-H65 VanDerWaalsContact C-N 3.3Å; K63-H65 PolarHBondContact O-N 3.15Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; H65-E69 PolarHBondContact O-N 3.44Å |
| 66 | L | 94.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.5 | -40.7 | 175.5 | -61.1 | -179 | 0 | 0 | 0 | 110.7 | L28 Y32 Y54 K63 S64 K68 E69 G70 | L28-L66 HydrophobicContact CD1-CD1 4.4Å; L28-L66 HydrophobicContact CD2-CB 4.42Å; L28-L66 HydrophobicContact CD2-CD1 3.56Å; Y32-L66 HydrophobicContact CE2-CD2 4.39Å; Y54-L66 WeakPolarHBondContact OH-CB 3.46Å; Y54-L66 PolarHBondContact OH-O 3.16Å; K63-L66 HydrophobicContact CB-CB 4.17Å; K63-L66 HydrophobicContact CB-CD1 3.93Å; K63-L66 HydrophobicContact CB-CG 4.16Å; K63-L66 HydrophobicContact CG-CD1 4.17Å; K63-L66 PolarHBondContact O-N 3.22Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.76Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.03Å; L66-E69 PolarHBondContact O-N 2.97Å; L66-G70 PolarHBondContact O-N 2.97Å |
| 67 | A | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L55 C58 K63 S64 G70 L71 Y93 | L55-A67 HydrophobicContact CD2-CB 3.84Å; C58-A67 HydrophobicContact CB-CB 3.89Å; K63-A67 PolarHBondContact O-N 3Å; S64-A67 WeakPolarHBondContact O-CB 3.28Å; S64-A67 PolarHBondContact O-N 3.32Å; A67-G70 PolarHBondContact O-N 3.44Å; A67-L71 VanDerWaalsContact O-CB 3.27Å; A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.48Å; A67-L71 PolarHBondContact O-N 3.18Å; A67-Y93 HydrophobicContact CB-CE1 4.41Å; A67-Y93 HydrophobicContact CB-CE2 3.9Å; A67-Y93 VanDerWaalsContact CB-OH 3.28Å; A67-Y93 WeakPolarHBondContact CB-OH 3.49Å |
| 68 | K | 95.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57 | -50.2 | 175.6 | -173.7 | -174.9 | -174.3 | 170.9 | 0 | 112.8 | S64 H65 L66 Y72 Q159 | S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 PolarHBondContact O-N 3.01Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.03Å; K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.41Å; K68-Q159 HydrophobicContact CB-CG 4.3Å; K68-Q159 HydrophobicContact CD-CG 3.99Å; K68-Q159 HydrophobicContact CG-CB 4.42Å; K68-Q159 HydrophobicContact CG-CG 4.16Å |
| 69 | E | 94.4 | Very high | 93.2 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.4 | -44.2 | -179.2 | -75.1 | -172.1 | -168.7 | 0 | 0 | 111.9 | Y32 H65 L66 Y72 Q73 R1238 | Y32-E69 HydrophobicContact CE2-CB 4.18Å; Y32-E69 PolarHBondContact OH-OE2 3.24Å; H65-E69 PolarHBondContact O-N 3.44Å; L66-E69 PolarHBondContact O-N 2.97Å; E69-Y72 PolarHBondContact O-N 3.26Å; E69-Q73 WeakPolarHBondContact O-CG 3.28Å; E69-Q73 PolarHBondContact O-N 3.26Å; E69-R1238 IonicContact OE1-NH2 2.73Å |
| 70 | G | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L66 A67 Y72 Q73 Y74 | L66-G70 PolarHBondContact O-N 2.97Å; A67-G70 PolarHBondContact O-N 3.44Å; G70-Y72 VanDerWaalsContact C-N 3.29Å; G70-Y72 PolarHBondContact O-N 2.89Å; G70-Q73 PolarHBondContact O-N 3.21Å; G70-Y74 VanDerWaalsContact O-CB 3.26Å; G70-Y74 WeakPolarHBondContact O-CB 3.31Å; G70-Y74 PolarHBondContact O-N 2.88Å |
| 71 | L | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -35.7 | 176.2 | -76.9 | 168.7 | 0 | 0 | 0 | 112.4 | M51 L55 A67 K75 V89 V90 Y93 L163 | M51-L71 HydrophobicContact CE-CB 4.45Å; M51-L71 HydrophobicContact CE-CD2 3.98Å; M51-L71 HydrophobicContact CE-CG 3.95Å; L55-L71 HydrophobicContact CD1-CD2 3.89Å; L55-L71 HydrophobicContact CD1-CG 4.41Å; L55-L71 HydrophobicContact CD2-CD1 4.13Å; L55-L71 HydrophobicContact CD2-CD2 4.39Å; L55-L71 HydrophobicContact CD2-CG 4.01Å; A67-L71 VanDerWaalsContact O-CB 3.27Å; A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.48Å; A67-L71 PolarHBondContact O-N 3.18Å; L71-K75 VanDerWaalsContact O-CB 3.31Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 2.96Å; L71-V89 HydrophobicContact CD2-CG1 4.09Å; L71-V90 HydrophobicContact CD2-CG2 3.87Å; L71-Y93 HydrophobicContact CD1-CD1 3.92Å; L71-Y93 HydrophobicContact CD1-CE1 3.99Å; L71-L163 HydrophobicContact CB-CD2 3.82Å |
| 72 | Y | 94.8 | Very high | 91.6 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 50% | 0.498 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 175 | -174.6 | -95.5 | 0 | 0 | 0 | 112.1 | K68 E69 G70 N76 L163 | K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.41Å; E69-Y72 PolarHBondContact O-N 3.26Å; G70-Y72 VanDerWaalsContact C-N 3.29Å; G70-Y72 PolarHBondContact O-N 2.89Å; Y72-N76 VanDerWaalsContact CE1-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å; Y72-N76 PolarHBondContact O-ND2 2.88Å; Y72-L163 HydrophobicContact CD2-CD1 4.26Å |
| 73 | Q | 92.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 52.2 Ų | 52.2 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 174.3 | -60 | -52 | -23.4 | 0 | 0 | 111.9 | I35 E69 G70 K75 N76 I77 | I35-Q73 HydrophobicContact CG2-CB 3.71Å; I35-Q73 HydrophobicContact CG2-CG 4.46Å; E69-Q73 WeakPolarHBondContact O-CG 3.28Å; E69-Q73 PolarHBondContact O-N 3.26Å; G70-Q73 PolarHBondContact O-N 3.21Å; Q73-K75 PolarHBondContact O-N 2.66Å; Q73-N76 WeakPolarHBondContact O-CB 3.49Å; Q73-N76 PolarHBondContact O-N 3.42Å; Q73-N76 VanDerWaalsContact O-N 3.09Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.49Å |
| 74 | Y | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 178 | -170.7 | -108.3 | 0 | 0 | 0 | 111.9 | H47 M51 G70 N76 I77 C78 S85 L86 V89 | H47-Y74 HydrophobicContact CB-CE2 4Å; M51-Y74 HydrophobicContact CB-CD2 3.97Å; M51-Y74 HydrophobicContact CB-CE2 3.85Å; M51-Y74 HydrophobicContact CB-CG 4.38Å; M51-Y74 HydrophobicContact CG-CD1 4.02Å; M51-Y74 HydrophobicContact CG-CD2 3.84Å; M51-Y74 HydrophobicContact CG-CE1 4.33Å; M51-Y74 HydrophobicContact CG-CE2 4.14Å; M51-Y74 HydrophobicContact CG-CG 3.77Å; M51-Y74 HydrophobicContact SD-CD2 4.07Å; M51-Y74 HydrophobicContact SD-CG 4Å; G70-Y74 VanDerWaalsContact O-CB 3.26Å; G70-Y74 WeakPolarHBondContact O-CB 3.31Å; G70-Y74 PolarHBondContact O-N 2.88Å; Y74-N76 VanDerWaalsContact C-N 3.31Å; Y74-N76 PolarHBondContact O-N 2.98Å; Y74-I77 WeakPolarHBondContact O-CB 3.32Å; Y74-I77 PolarHBondContact O-N 3.04Å; Y74-I77 VanDerWaalsContact O-N 3.09Å; Y74-C78 PolarHBondContact O-N 3.48Å; Y74-C78 PolarHBondContact O-SG 2.84Å; Y74-S85 PolarHBondContact OH-OG 3.14Å; Y74-L86 HydrophobicContact CD1-CD1 3.74Å; Y74-L86 HydrophobicContact CE1-CD1 4.3Å; Y74-V89 HydrophobicContact CD1-CG1 4.39Å; Y74-V89 HydrophobicContact CE1-CB 4.15Å; Y74-V89 HydrophobicContact CE1-CG1 4.2Å; Y74-V89 HydrophobicContact CE1-CG2 3.97Å |
| 75 | K | 92.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 15% | 0.148 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.3 | -48.1 | 169.7 | 175 | -178 | 175 | -178 | 0 | 111.6 | L71 Q73 I77 C78 Q79 L86 L163 | L71-K75 VanDerWaalsContact O-CB 3.31Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 2.96Å; Q73-K75 PolarHBondContact O-N 2.66Å; K75-I77 PolarHBondContact O-N 2.94Å; K75-C78 PolarHBondContact O-N 3.06Å; K75-Q79 WeakPolarHBondContact O-CB 3.37Å; K75-Q79 PolarHBondContact O-N 3.12Å; K75-L86 HydrophobicContact CB-CD1 4.25Å; K75-L86 HydrophobicContact CB-CD2 4.02Å; K75-L86 HydrophobicContact CG-CD2 3.98Å; K75-L163 HydrophobicContact CB-CD1 4.19Å; K75-L163 HydrophobicContact CD-CD1 3.65Å; K75-L163 HydrophobicContact CD-CG 4.14Å; K75-L163 PolarHBondContact NZ-O 3.24Å |
| 76 | N | 90.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -30.9 | -179.8 | -61 | -31 | 0 | 0 | 0 | 112.7 | Y72 Q73 Y74 | Y72-N76 VanDerWaalsContact CE1-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å; Y72-N76 PolarHBondContact O-ND2 2.88Å; Q73-N76 WeakPolarHBondContact O-CB 3.49Å; Q73-N76 PolarHBondContact O-N 3.42Å; Q73-N76 VanDerWaalsContact O-N 3.09Å; Y74-N76 VanDerWaalsContact C-N 3.31Å; Y74-N76 PolarHBondContact O-N 2.98Å |
| 77 | I | 91 | Very high | 91.2 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.1 | -42.6 | 176.9 | -68.2 | 168 | 0 | 0 | 0 | 111.4 | W43 Q73 Y74 K75 | W43-I77 HydrophobicContact CB-CG2 3.86Å; W43-I77 HydrophobicContact CG-CG2 4.48Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.49Å; Y74-I77 WeakPolarHBondContact O-CB 3.32Å; Y74-I77 PolarHBondContact O-N 3.04Å; Y74-I77 VanDerWaalsContact O-N 3.09Å; K75-I77 PolarHBondContact O-N 2.94Å |
| 78 | C | 89.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -95.4 | -21.4 | -169.4 | 73.1 | 0 | 0 | 0 | 0 | 115.1 | Y74 K75 Q80 V81 N82 | Y74-C78 PolarHBondContact O-N 3.48Å; Y74-C78 PolarHBondContact O-SG 2.84Å; K75-C78 PolarHBondContact O-N 3.06Å; C78-Q80 PolarHBondContact O-N 2.96Å; C78-V81 PolarHBondContact O-N 2.98Å; C78-N82 CarbonylContact O-C 3.52Å; C78-N82 PolarHBondContact O-N 3.06Å |
| 79 | Q | 82.7 | Confident | 91.2 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.5 | -169.4 | 173.9 | 174.1 | -7.4 | 0 | 0 | 115 | K75 | K75-Q79 WeakPolarHBondContact O-CB 3.37Å; K75-Q79 PolarHBondContact O-N 3.12Å |
| 80 | Q | 81.6 | Confident | 91.3 | Very high | 184 Ų | 184 | 48 Ų | 48 | 86% | 0.86 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -32.2 | 177.1 | -65.2 | -173.6 | -3.8 | 0 | 0 | 113.6 | C78 | C78-Q80 PolarHBondContact O-N 2.96Š|
| 81 | V | 82.6 | Confident | 91.4 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 56% | 0.564 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -55.7 | -166.9 | -178 | 0 | 0 | 0 | 0 | 112.5 | W43 C78 | W43-V81 HydrophobicContact CB-CB 4.13Å; W43-V81 HydrophobicContact CB-CG1 4.27Å; W43-V81 HydrophobicContact CB-CG2 4.34Å; W43-V81 HydrophobicContact CD2-CG1 4.39Å; W43-V81 HydrophobicContact CE3-CG1 3.91Å; C78-V81 PolarHBondContact O-N 2.98Å |
| 82 | N | 87.4 | Confident | 91.4 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -149.3 | 93.9 | -176.7 | -178.8 | 6.6 | 0 | 0 | 0 | 109.9 | W43 C78 K84 S85 | W43-N82 HydrophobicContact CD2-CB 4.34Å; W43-N82 HydrophobicContact CH2-CB 4.29Å; W43-N82 HydrophobicContact CZ2-CB 4.11Å; W43-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W43-N82 HydrophobicContact CZ3-CB 4.47Å; C78-N82 CarbonylContact O-C 3.52Å; C78-N82 PolarHBondContact O-N 3.06Å; N82-K84 PolarHBondContact OD1-N 3.08Å; N82-S85 WeakPolarHBondContact O-CB 3.24Å; N82-S85 PolarHBondContact OD1-N 3.4Å | ||
| 83 | I | 89.3 | Confident | 91.6 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -79.1 | -19 | -177.9 | -155.9 | 160.4 | 0 | 0 | 0 | 113.4 | S85 L86 E87 K169 V170 | I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-CB 3.29Å; I83-L86 WeakPolarHBondContact O-CB 3.33Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-L86 VanDerWaalsContact O-N 3.08Å; I83-E87 PolarHBondContact O-N 3.36Å; I83-K169 HydrophobicContact CD1-CB 3.86Å; I83-K169 HydrophobicContact CD1-CD 4.04Å; I83-V170 HydrophobicContact CD1-CG1 3.64Å; I83-V170 HydrophobicContact CG1-CG1 3.7Å |
| 84 | K | 91.8 | Very high | 91.8 | Very high | 142 Ų | 142 | 45.1 Ų | 45.1 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.7 | -40 | 175.8 | -65.7 | -172.8 | 175 | -171.6 | 0 | 111.7 | N82 L86 E87 D88 | N82-K84 PolarHBondContact OD1-N 3.08Å; K84-L86 PolarHBondContact O-N 3.41Å; K84-L86 VanDerWaalsContact O-N 3.09Å; K84-E87 CarbonylContact O-C 3.6Å; K84-E87 WeakPolarHBondContact O-CA 3.38Å; K84-E87 WeakPolarHBondContact O-CB 3.45Å; K84-E87 PolarHBondContact O-N 3.12Å; K84-D88 PolarHBondContact O-N 2.94Å; K84-D88 VanDerWaalsContact O-OD2 3.09Å |
| 85 | S | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52.6 | -30.4 | 171.8 | -163.3 | 0 | 0 | 0 | 0 | 112.9 | W43 E48 Y74 N82 I83 V89 | W43-S85 PolarHBondContact NE1-OG 2.75Å; E48-S85 WeakPolarHBondContact OE2-CB 3.42Å; E48-S85 PolarHBondContact OE2-OG 2.91Å; Y74-S85 PolarHBondContact OH-OG 3.14Å; N82-S85 WeakPolarHBondContact O-CB 3.24Å; N82-S85 PolarHBondContact OD1-N 3.4Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.07Å; S85-V89 VanDerWaalsContact O-CB 3.27Å; S85-V89 WeakPolarHBondContact O-CB 3.28Å; S85-V89 WeakPolarHBondContact O-CG2 3.33Å; S85-V89 PolarHBondContact O-N 3.45Å |
| 86 | L | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.4 | -40.1 | 170.4 | -174.1 | 63.6 | 0 | 0 | 0 | 112.7 | Y74 K75 I83 K84 V90 L164 | Y74-L86 HydrophobicContact CD1-CD1 3.74Å; Y74-L86 HydrophobicContact CE1-CD1 4.3Å; K75-L86 HydrophobicContact CB-CD1 4.25Å; K75-L86 HydrophobicContact CB-CD2 4.02Å; K75-L86 HydrophobicContact CG-CD2 3.98Å; I83-L86 VanDerWaalsContact O-CB 3.29Å; I83-L86 WeakPolarHBondContact O-CB 3.33Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-L86 VanDerWaalsContact O-N 3.08Å; K84-L86 PolarHBondContact O-N 3.41Å; K84-L86 VanDerWaalsContact O-N 3.09Å; L86-V90 HydrophobicContact CD1-CG2 4.27Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.22Å; L86-L164 HydrophobicContact CD2-CD2 4.38Å |
| 87 | E | 94.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 179.5 | -57.6 | -166.1 | 130.1 | 0 | 0 | 111.3 | I83 K84 V90 R91 V170 L173 | I83-E87 PolarHBondContact O-N 3.36Å; K84-E87 CarbonylContact O-C 3.6Å; K84-E87 WeakPolarHBondContact O-CA 3.38Å; K84-E87 WeakPolarHBondContact O-CB 3.45Å; K84-E87 PolarHBondContact O-N 3.12Å; E87-V90 PolarHBondContact O-N 3.36Å; E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-V170 HydrophobicContact CG-CG1 4.1Å; E87-L173 HydrophobicContact CB-CD2 3.78Å; E87-L173 HydrophobicContact CG-CD2 3.84Å |
| 88 | D | 94.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 179.2 | -61 | -44.3 | 0 | 0 | 0 | 111.2 | K84 R91 A92 | K84-D88 PolarHBondContact O-N 2.94Å; K84-D88 VanDerWaalsContact O-OD2 3.09Å; D88-R91 PolarHBondContact O-N 3.42Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-A92 PolarHBondContact O-N 2.99Å |
| 89 | V | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.7 | 165.3 | 0 | 0 | 0 | 0 | 112.5 | E48 M51 L52 L55 L71 Y74 S85 Y93 | E48-V89 HydrophobicContact CG-CG2 4.09Å; M51-V89 HydrophobicContact CB-CG1 4.23Å; M51-V89 HydrophobicContact CB-CG2 4.47Å; M51-V89 HydrophobicContact CG-CG1 3.61Å; L52-V89 HydrophobicContact CD2-CG2 4.13Å; L52-V89 HydrophobicContact CG-CG2 4.29Å; L55-V89 HydrophobicContact CD1-CG1 3.4Å; L71-V89 HydrophobicContact CD2-CG1 4.09Å; Y74-V89 HydrophobicContact CD1-CG1 4.39Å; Y74-V89 HydrophobicContact CE1-CB 4.15Å; Y74-V89 HydrophobicContact CE1-CG1 4.2Å; Y74-V89 HydrophobicContact CE1-CG2 3.97Å; S85-V89 VanDerWaalsContact O-CB 3.27Å; S85-V89 WeakPolarHBondContact O-CB 3.28Å; S85-V89 WeakPolarHBondContact O-CG2 3.33Å; S85-V89 PolarHBondContact O-N 3.45Å; V89-Y93 PolarHBondContact O-N 3.44Å |
| 90 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -39.8 | 177.4 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L71 L86 E87 A92 Y93 L94 C160 L163 L164 L173 I177 | L71-V90 HydrophobicContact CD2-CG2 3.87Å; L86-V90 HydrophobicContact CD1-CG2 4.27Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.22Å; E87-V90 PolarHBondContact O-N 3.36Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-Y93 PolarHBondContact O-N 2.79Å; V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 PolarHBondContact O-N 2.84Å; V90-L94 VanDerWaalsContact O-N 3.09Å; V90-C160 HydrophobicContact CG1-CB 4.23Å; V90-L163 HydrophobicContact CG2-CD2 4.38Å; V90-L164 HydrophobicContact CG1-CD1 4.36Å; V90-L173 HydrophobicContact CB-CD2 4.28Å; V90-L173 HydrophobicContact CG1-CD2 4.24Å; V90-I177 HydrophobicContact CG1-CD1 3.7Å |
| 91 | R | 96.4 | Very high | 94 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 39% | 0.389 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.2 | -74.1 | 179.9 | -171.1 | -80.3 | -1.8 | 111.1 | E87 D88 K95 L173 D176 | E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.15Å; D88-R91 PolarHBondContact O-N 3.42Å; R91-K95 WeakPolarHBondContact O-CB 3.48Å; R91-K95 PolarHBondContact O-N 3.14Å; R91-L173 HydrophobicContact CG-CD1 3.73Å; R91-D176 IonicContact CZ-OD2 3.7Å; R91-D176 IonicContact NH1-OD2 2.71Å; R91-D176 PolarHBondContact NH1-OD2 3.2Å; R91-D176 IonicContact NH2-OD2 2.62Å; R91-D176 PolarHBondContact NH2-OD2 3.02Å |
| 92 | A | 96.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L52 D88 V90 K95 L96 | L52-A92 HydrophobicContact CD2-CB 3.57Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-A92 PolarHBondContact O-N 2.99Å; V90-A92 VanDerWaalsContact C-N 3.34Å; A92-K95 PolarHBondContact O-N 3.16Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 WeakPolarHBondContact O-CG 3.43Å; A92-L96 PolarHBondContact O-N 3.25Å |
| 93 | Y | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 177.2 | 170.5 | -124.4 | 0 | 0 | 0 | 113.1 | L55 V59 A67 L71 V89 V90 L96 A97 F152 S156 | L55-Y93 HydrophobicContact CB-CD2 4.02Å; L55-Y93 HydrophobicContact CB-CG 4.5Å; L55-Y93 HydrophobicContact CD2-CD2 3.77Å; L55-Y93 HydrophobicContact CD2-CE2 4.08Å; L55-Y93 HydrophobicContact CD2-CG 4Å; L55-Y93 HydrophobicContact CG-CD2 4.39Å; V59-Y93 HydrophobicContact CG2-CD2 3.69Å; V59-Y93 HydrophobicContact CG2-CE2 3.61Å; A67-Y93 HydrophobicContact CB-CE1 4.41Å; A67-Y93 HydrophobicContact CB-CE2 3.9Å; A67-Y93 VanDerWaalsContact CB-OH 3.28Å; A67-Y93 WeakPolarHBondContact CB-OH 3.49Å; L71-Y93 HydrophobicContact CD1-CD1 3.92Å; L71-Y93 HydrophobicContact CD1-CE1 3.99Å; V89-Y93 PolarHBondContact O-N 3.44Å; V90-Y93 PolarHBondContact O-N 2.79Å; Y93-L96 PolarHBondContact O-N 2.7Å; Y93-A97 WeakPolarHBondContact O-CB 3.19Å; Y93-A97 PolarHBondContact O-N 2.87Å; Y93-F152 HydrophobicContact CE2-CZ 4.31Å; Y93-S156 WeakPolarHBondContact OH-CB 3.48Å |
| 94 | L | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 177.9 | -68.4 | 176.5 | 0 | 0 | 0 | 111.4 | V90 L96 A97 E98 Y157 C160 I177 | V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 PolarHBondContact O-N 2.84Å; V90-L94 VanDerWaalsContact O-N 3.09Å; L94-L96 PolarHBondContact O-N 2.81Å; L94-A97 PolarHBondContact O-N 3.32Å; L94-A97 VanDerWaalsContact O-N 3.17Å; L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 VanDerWaalsContact O-CG 3.25Å; L94-E98 WeakPolarHBondContact O-CG 3.45Å; L94-E98 PolarHBondContact O-N 3.48Å; L94-Y157 HydrophobicContact CD1-CD1 4.02Å; L94-Y157 HydrophobicContact CD1-CE1 4.25Å; L94-Y157 HydrophobicContact CD2-CD1 3.74Å; L94-Y157 HydrophobicContact CD2-CE1 4.14Å; L94-Y157 HydrophobicContact CD2-CG 4.41Å; L94-Y157 HydrophobicContact CG-CD1 4.44Å; L94-C160 HydrophobicContact CD1-CB 4.31Å; L94-I177 HydrophobicContact CD1-CB 4.41Å; L94-I177 HydrophobicContact CD1-CD1 3.64Å; L94-I177 HydrophobicContact CD1-CG1 3.65Å; L94-I177 HydrophobicContact CD1-CG2 3.89Å |
| 95 | K | 96.6 | Very high | 95.1 | Very high | 115 Ų | 115 | 40.1 Ų | 40.1 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.8 | -170 | 173.5 | -171.9 | -69.8 | 0 | 112.6 | R91 A92 A97 E98 E99 | R91-K95 WeakPolarHBondContact O-CB 3.48Å; R91-K95 PolarHBondContact O-N 3.14Å; A92-K95 PolarHBondContact O-N 3.16Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.88Å; K95-E98 PolarHBondContact O-N 3.31Å; K95-E99 IonicContact NZ-OE1 3.73Å; K95-E99 PolarHBondContact NZ-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.28Å; K95-E99 WeakPolarHBondContact O-CG 3.37Å; K95-E99 PolarHBondContact O-N 3.11Å |
| 96 | L | 95.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -35.2 | 174.7 | -73.6 | 169.9 | 0 | 0 | 0 | 112.4 | E56 V59 A92 Y93 L94 K100 | E56-L96 HydrophobicContact CB-CD1 4.42Å; V59-L96 HydrophobicContact CG2-CB 4.45Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 WeakPolarHBondContact O-CG 3.43Å; A92-L96 PolarHBondContact O-N 3.25Å; Y93-L96 PolarHBondContact O-N 2.7Å; L94-L96 PolarHBondContact O-N 2.81Å; L96-K100 WeakPolarHBondContact O-CB 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.47Å |
| 97 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.8 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y93 L94 K95 K100 T101 F152 L153 | Y93-A97 WeakPolarHBondContact O-CB 3.19Å; Y93-A97 PolarHBondContact O-N 2.87Å; L94-A97 PolarHBondContact O-N 3.32Å; L94-A97 VanDerWaalsContact O-N 3.17Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.88Å; A97-K100 PolarHBondContact O-N 3.37Å; A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.42Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 VanDerWaalsContact O-N 3.1Å; A97-F152 HydrophobicContact CB-CE1 4.03Å; A97-L153 HydrophobicContact CB-CD1 3.78Å |
| 98 | E | 95.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -56.9 | 173.5 | -73.7 | 165.8 | 174.7 | 0 | 0 | 110.1 | L94 K95 K100 T101 E102 L153 Y157 Q180 | L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 VanDerWaalsContact O-CG 3.25Å; L94-E98 WeakPolarHBondContact O-CG 3.45Å; L94-E98 PolarHBondContact O-N 3.48Å; K95-E98 PolarHBondContact O-N 3.31Å; E98-K100 VanDerWaalsContact C-N 3.33Å; E98-K100 PolarHBondContact O-N 3.02Å; E98-T101 WeakPolarHBondContact O-CA 3.02Å; E98-T101 PolarHBondContact O-N 2.85Å; E98-T101 PolarHBondContact O-OG1 3.44Å; E98-E102 PolarHBondContact O-N 3.28Å; E98-L153 HydrophobicContact CG-CD1 4.05Å; E98-L153 HydrophobicContact CG-CD2 4.33Å; E98-Y157 WeakPolarHBondContact CG-OH 3.41Å; E98-Y157 PolarHBondContact OE1-OH 2.85Å; E98-Q180 PolarHBondContact OE1-NE2 3.18Å |
| 99 | E | 96.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.7 | -44.7 | 178.3 | -74.3 | 169.5 | 169 | 0 | 0 | 112.7 | K95 T101 E102 T103 | K95-E99 IonicContact NZ-OE1 3.73Å; K95-E99 PolarHBondContact NZ-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.28Å; K95-E99 WeakPolarHBondContact O-CG 3.37Å; K95-E99 PolarHBondContact O-N 3.11Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.44Å; E99-E102 PolarHBondContact O-N 3.08Å; E99-T103 PolarHBondContact O-N 2.95Å; E99-T103 PolarHBondContact O-OG1 3.43Å |
| 100 | K | 94.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -24.8 | 177.9 | -70.8 | -75.6 | -167.1 | 166.9 | 0 | 113.7 | V59 D60 L96 A97 E98 T103 A104 W149 | V59-K100 HydrophobicContact CG1-CB 4.29Å; V59-K100 HydrophobicContact CG1-CG 3.84Å; D60-K100 WeakPolarHBondContact OD1-CE 3.32Å; D60-K100 IonicContact OD1-NZ 3.75Å; D60-K100 PolarHBondContact OD1-NZ 2.98Å; L96-K100 WeakPolarHBondContact O-CB 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.47Å; A97-K100 PolarHBondContact O-N 3.37Å; E98-K100 VanDerWaalsContact C-N 3.33Å; E98-K100 PolarHBondContact O-N 3.02Å; K100-T103 PolarHBondContact O-OG1 3.13Å; K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.3Å; K100-A104 PolarHBondContact O-N 3.32Å; K100-W149 HydrophobicContact CB-CE3 4.12Å; K100-W149 HydrophobicContact CB-CH2 4.37Å; K100-W149 HydrophobicContact CB-CZ3 3.94Å; K100-W149 HydrophobicContact CG-CZ3 4.5Å |
| 101 | T | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.6 | -31.9 | 171.7 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | A97 E98 E99 K105 L146 W149 L153 Y188 | A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.42Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 VanDerWaalsContact O-N 3.1Å; E98-T101 WeakPolarHBondContact O-CA 3.02Å; E98-T101 PolarHBondContact O-N 2.85Å; E98-T101 PolarHBondContact O-OG1 3.44Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.44Å; T101-K105 PolarHBondContact O-N 3.07Å; T101-L146 WeakPolarHBondContact O-CD1 3.42Å; T101-W149 HydrophobicContact CG2-CB 3.92Å; T101-L153 HydrophobicContact CG2-CB 3.62Å; T101-L153 HydrophobicContact CG2-CD2 3.63Å; T101-L153 HydrophobicContact CG2-CG 4.21Å; T101-L153 WeakPolarHBondContact OG1-CD2 3.48Å; T101-Y188 PolarHBondContact OG1-OH 3.1Å |
| 102 | E | 93.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.6 | -42.7 | 178.1 | -67.8 | -176.1 | 151 | 0 | 0 | 110.7 | E98 E99 A104 K105 E106 Q187 | E98-E102 PolarHBondContact O-N 3.28Å; E99-E102 PolarHBondContact O-N 3.08Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.42Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 VanDerWaalsContact O-N 3.09Å; E102-E106 PolarHBondContact O-N 3.45Å; E102-Q187 PolarHBondContact OE1-NE2 3.06Å |
| 103 | T | 94.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 171 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | E99 K100 K105 E106 E107 | E99-T103 PolarHBondContact O-N 2.95Å; E99-T103 PolarHBondContact O-OG1 3.43Å; K100-T103 PolarHBondContact O-OG1 3.13Å; T103-K105 PolarHBondContact O-N 2.99Å; T103-E106 PolarHBondContact O-N 2.93Å; T103-E107 WeakPolarHBondContact O-CB 3.11Å; T103-E107 VanDerWaalsContact O-CG 3.32Å; T103-E107 WeakPolarHBondContact O-CG 3.36Å; T103-E107 PolarHBondContact O-N 3.16Å |
| 104 | A | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -20.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K100 E102 S108 L146 W149 | K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.3Å; K100-A104 PolarHBondContact O-N 3.32Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.42Å; A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.34Å; A104-L146 HydrophobicContact CB-CD1 4.42Å; A104-W149 HydrophobicContact CB-CB 4.28Å; A104-W149 HydrophobicContact CB-CG 3.91Å |
| 105 | K | 92.3 | Very high | 90.8 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.5 | -44.4 | 170.5 | -177.7 | -178.3 | 176.5 | -176.2 | 0 | 110.6 | T101 E102 T103 S108 Q109 L146 Y188 | T101-K105 PolarHBondContact O-N 3.07Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 VanDerWaalsContact O-N 3.09Å; T103-K105 PolarHBondContact O-N 2.99Å; K105-S108 WeakPolarHBondContact O-CB 3.19Å; K105-S108 PolarHBondContact O-N 2.84Å; K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.4Å; K105-Q109 PolarHBondContact O-N 3.13Å; K105-L146 HydrophobicContact CB-CD1 3.9Å; K105-L146 HydrophobicContact CB-CD2 4.04Å; K105-L146 HydrophobicContact CG-CD2 4Å; K105-Y188 HydrophobicContact CD-CE1 4.24Å |
| 106 | E | 93.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.4 | -68.6 | 177.2 | 171 | 0 | 0 | 111.3 | E102 T103 S108 Q109 Q110 | E102-E106 PolarHBondContact O-N 3.45Å; T103-E106 PolarHBondContact O-N 2.93Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.44Å; E106-Q109 PolarHBondContact O-N 3Å; E106-Q110 WeakPolarHBondContact O-CB 3.46Å; E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 2.96Å |
| 107 | E | 91.5 | Very high | 87.9 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 171.6 | -73.2 | 168.1 | -172.7 | 0 | 0 | 112.1 | T103 M111 | T103-E107 WeakPolarHBondContact O-CB 3.11Å; T103-E107 VanDerWaalsContact O-CG 3.32Å; T103-E107 WeakPolarHBondContact O-CG 3.36Å; T103-E107 PolarHBondContact O-N 3.16Å; E107-M111 WeakPolarHBondContact O-CB 3.37Å; E107-M111 PolarHBondContact O-N 3.09Å |
| 108 | S | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67 | -40 | 179.2 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | A104 K105 E106 M111 V112 T141 D142 | A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.34Å; K105-S108 WeakPolarHBondContact O-CB 3.19Å; K105-S108 PolarHBondContact O-N 2.84Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.44Å; S108-M111 PolarHBondContact O-N 2.98Å; S108-V112 WeakPolarHBondContact O-CG2 3.32Å; S108-V112 PolarHBondContact O-N 3.39Å; S108-T141 VanDerWaalsContact OG-C 3.3Å; S108-T141 PolarHBondContact OG-OG1 3.24Å; S108-D142 WeakPolarHBondContact CB-OD1 3.38Å; S108-D142 PolarHBondContact OG-N 2.89Å; S108-D142 PolarHBondContact OG-OD1 2.97Å |
| 109 | Q | 90 | Very high | 84.5 | Confident | 85 Ų | 85 | 81.4 Ų | 81.4 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.2 | -36.7 | 177.3 | -69 | -175.4 | -52.8 | 0 | 0 | 112.2 | K105 E106 V112 L113 | K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.4Å; K105-Q109 PolarHBondContact O-N 3.13Å; E106-Q109 PolarHBondContact O-N 3Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q109-L113 WeakPolarHBondContact O-CG 3.2Å; Q109-L113 PolarHBondContact O-N 2.8Å |
| 110 | Q | 89.9 | Confident | 82.8 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 171.7 | -73.4 | 167.3 | 19.3 | 0 | 0 | 110.9 | E106 V112 L113 D114 | E106-Q110 WeakPolarHBondContact O-CB 3.46Å; E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 2.96Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 2.7Å; Q110-D114 PolarHBondContact O-N 2.75Å |
| 111 | M | 85.6 | Confident | 81.3 | Confident | 70 Ų | 70 | 85.5 Ų | 85.5 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -29 | 177.1 | -172.8 | 176.4 | -176.7 | 0 | 0 | 113.4 | E107 S108 I115 T141 L145 | E107-M111 WeakPolarHBondContact O-CB 3.37Å; E107-M111 PolarHBondContact O-N 3.09Å; S108-M111 PolarHBondContact O-N 2.98Å; M111-I115 HydrophobicContact CE-CD1 4.17Å; M111-I115 HydrophobicContact CG-CD1 4.05Å; M111-I115 WeakPolarHBondContact O-CB 3.42Å; M111-I115 VanDerWaalsContact O-CD1 3.27Å; M111-I115 WeakPolarHBondContact O-CD1 3.39Å; M111-I115 WeakPolarHBondContact O-CG1 3.46Å; M111-I115 PolarHBondContact O-N 3.08Å; M111-T141 HydrophobicContact CG-CG2 4.15Å; M111-T141 HydrophobicContact SD-CG2 4.14Å; M111-L145 HydrophobicContact SD-CD1 3.79Å |
| 112 | V | 84.9 | Confident | 79.9 | Confident | 8 Ų | 8 | 92.7 Ų | 92.7 | 5% | 0.048 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -73.1 | -43.1 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | S108 Q109 Q110 D114 I115 E116 Q138 T141 | S108-V112 WeakPolarHBondContact O-CG2 3.32Å; S108-V112 PolarHBondContact O-N 3.39Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q110-V112 PolarHBondContact O-N 3.13Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.1Å; V112-I115 CarbonylContact O-C 3.55Å; V112-I115 PolarHBondContact O-N 3.15Å; V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.45Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 2.88Å; V112-Q138 HydrophobicContact CG2-CB 4.24Å; V112-T141 HydrophobicContact CG2-CG2 3.82Å; V112-T141 WeakPolarHBondContact CG2-OG1 3.44Å |
| 113 | L | 82.2 | Confident | 79.1 | Confident | 117 Ų | 117 | 91.4 Ų | 91.4 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 175.1 | -65.3 | 169.9 | 0 | 0 | 0 | 111.3 | Q109 Q110 I115 E116 D117 | Q109-L113 WeakPolarHBondContact O-CG 3.2Å; Q109-L113 PolarHBondContact O-N 2.8Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 2.7Å; L113-I115 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.44Å; L113-D117 PolarHBondContact O-N 3.49Å |
| 114 | D | 81.3 | Confident | 78.4 | Confident | 124 Ų | 124 | 93.3 Ų | 93.3 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -19.4 | 175.4 | -64.7 | -23.9 | 0 | 0 | 0 | 113.4 | Q110 V112 | Q110-D114 PolarHBondContact O-N 2.75Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.1Å |
| 115 | I | 75.6 | Confident | 77.9 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -96.3 | -29.9 | 177.1 | -71.8 | 169.1 | 0 | 0 | 0 | 111.7 | M111 V112 L113 T141 | M111-I115 HydrophobicContact CE-CD1 4.17Å; M111-I115 HydrophobicContact CG-CD1 4.05Å; M111-I115 WeakPolarHBondContact O-CB 3.42Å; M111-I115 VanDerWaalsContact O-CD1 3.27Å; M111-I115 WeakPolarHBondContact O-CD1 3.39Å; M111-I115 WeakPolarHBondContact O-CG1 3.46Å; M111-I115 PolarHBondContact O-N 3.08Å; V112-I115 CarbonylContact O-C 3.55Å; V112-I115 PolarHBondContact O-N 3.15Å; L113-I115 PolarHBondContact O-N 3.42Å; I115-T141 HydrophobicContact CD1-CG2 4.49Å |
| 116 | E | 66.3 | Low | 77.4 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -86.2 | -15.9 | 179.4 | -71.1 | -178.1 | -176.5 | 0 | 0 | 113.6 | V112 L113 L118 T137 | V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.45Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 2.88Å; L113-E116 PolarHBondContact O-N 3.44Å; E116-L118 PolarHBondContact O-N 3.27Å; E116-T137 PolarHBondContact OE1-OG1 2.95Å |
| 117 | D | 64.9 | Low | 76.9 | Confident | 148 Ų | 148 | 97 Ų | 97 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -1.7 | 168.1 | -159.7 | 49 | 0 | 0 | 0 | 113.1 | L113 | L113-D117 PolarHBondContact O-N 3.49Š|
| 118 | L | 63.1 | Low | 76.6 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -82.3 | 111.8 | 167.1 | -72.2 | 159.2 | 0 | 0 | 0 | 109.8 | E116 N120 | E116-L118 PolarHBondContact O-N 3.27Å; L118-N120 PolarHBondContact O-N 2.83Å |
| 119 | D | 55.8 | Low | 76.4 | Confident | 178 Ų | 178 | 102.1 Ų | 102.1 | 95% | 0.952 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -44.7 | -12.4 | -178.6 | -79.8 | -49.2 | 0 | 0 | 0 | 117.4 | ||
| 120 | N | 61.7 | Low | 76.2 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | trans | -120.5 | 69 | -174.6 | -166.5 | 22.7 | 0 | 0 | 0 | 113 | L118 Q122 | L118-N120 PolarHBondContact O-N 2.83Å; N120-Q122 PolarHBondContact O-N 2.85Å; N120-Q122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | I | 61.5 | Low | 76 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | trans | -51.9 | -31.7 | 179.1 | -58.2 | 168.2 | 0 | 0 | 0 | 112.7 | T123 S126 | I121-T123 PolarHBondContact O-N 3.38Å; I121-S126 PolarHBondContact O-OG 3.5Å; I121-S126 VanDerWaalsContact O-OG 3.07Å | ||
| 122 | Q | 67 | Low | 76.3 | Confident | 152 Ų | 152 | 103.1 Ų | 103.1 | 71% | 0.71 | 57% | 0.569 | S | S | * | * | trans | -94.6 | 68.2 | 179 | -65.1 | -174.6 | 0.8 | 0 | 0 | 111.7 | N120 V127 | N120-Q122 PolarHBondContact O-N 2.85Å; N120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-V127 HydrophobicContact CB-CG2 4.29Å | ||
| 123 | T | 76 | Confident | 76.6 | Confident | 59 Ų | 59 | 104.2 Ų | 104.2 | 36% | 0.362 | 58% | 0.578 | S | S | . | * | trans | -67.7 | 147.3 | 165.2 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | I121 E125 S126 V127 | I121-T123 PolarHBondContact O-N 3.38Å; T123-E125 PolarHBondContact O-N 3.07Å; T123-E125 VanDerWaalsContact O-N 3.11Å; T123-S126 PolarHBondContact N-OG 2.87Å; T123-S126 PolarHBondContact O-N 3.03Å; T123-S126 PolarHBondContact O-OG 2.87Å; T123-S126 VanDerWaalsContact O-OG 3.06Å; T123-S126 WeakPolarHBondContact OG1-CB 3.43Å; T123-S126 PolarHBondContact OG1-N 3.2Å; T123-S126 PolarHBondContact OG1-OG 3.2Å; T123-V127 WeakPolarHBondContact O-CG2 3.17Å; T123-V127 PolarHBondContact O-N 3.1Å | ||
| 124 | P | 80.6 | Confident | 76.9 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 66% | 0.662 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -55.9 | -31.7 | 177.1 | -27.4 | 35.8 | 0 | 0 | 0 | 113 | L128 | P124-L128 WeakPolarHBondContact O-CB 3.37Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.17Å; P124-L128 PolarHBondContact O-N 3.47Å |
| 125 | E | 82 | Confident | 77.2 | Confident | 148 Ų | 148 | 100.2 Ų | 100.2 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72 | -39 | 175.8 | -61 | -179.5 | 179.7 | 0 | 0 | 112.7 | T123 V127 L129 | T123-E125 PolarHBondContact O-N 3.07Å; T123-E125 VanDerWaalsContact O-N 3.11Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-L129 WeakPolarHBondContact O-CB 3.35Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.34Å; E125-L129 PolarHBondContact O-N 2.91Å |
| 126 | S | 81.1 | Confident | 77.8 | Confident | 35 Ų | 35 | 101.2 Ų | 101.2 | 25% | 0.245 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 175.3 | 76.9 | 0 | 0 | 0 | 0 | 111.1 | I121 T123 L129 S130 | I121-S126 PolarHBondContact O-OG 3.5Å; I121-S126 VanDerWaalsContact O-OG 3.07Å; T123-S126 PolarHBondContact N-OG 2.87Å; T123-S126 PolarHBondContact O-N 3.03Å; T123-S126 PolarHBondContact O-OG 2.87Å; T123-S126 VanDerWaalsContact O-OG 3.06Å; T123-S126 WeakPolarHBondContact OG1-CB 3.43Å; T123-S126 PolarHBondContact OG1-N 3.2Å; T123-S126 PolarHBondContact OG1-OG 3.2Å; S126-L129 PolarHBondContact O-N 3.07Å; S126-S130 WeakPolarHBondContact O-CB 3.15Å; S126-S130 PolarHBondContact O-N 3.42Å; S126-S130 PolarHBondContact O-OG 3.07Å |
| 127 | V | 83.1 | Confident | 78.7 | Confident | 71 Ų | 71 | 99 Ų | 99 | 43% | 0.43 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -51.6 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | Q122 T123 E125 L129 S130 A131 | Q122-V127 HydrophobicContact CB-CG2 4.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.17Å; T123-V127 PolarHBondContact O-N 3.1Å; E125-V127 VanDerWaalsContact C-N 3.34Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 2.98Å; V127-S130 PolarHBondContact O-N 3.38Å; V127-S130 VanDerWaalsContact O-N 3.12Å; V127-S130 PolarHBondContact O-OG 3.2Å; V127-A131 PolarHBondContact O-N 2.98Å |
| 128 | L | 86.2 | Confident | 79.8 | Confident | 122 Ų | 122 | 94 Ų | 94 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.6 | -42.6 | 177.7 | -77 | 170.2 | 0 | 0 | 0 | 112.4 | P124 A131 V132 | P124-L128 WeakPolarHBondContact O-CB 3.37Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.17Å; P124-L128 PolarHBondContact O-N 3.47Å; L128-A131 PolarHBondContact O-N 3.46Å; L128-V132 PolarHBondContact O-N 2.93Å |
| 129 | L | 85.4 | Confident | 81 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 176.7 | -69.6 | 169.1 | 0 | 0 | 0 | 111.5 | E125 S126 V127 A131 V132 S133 R140 | E125-L129 WeakPolarHBondContact O-CB 3.35Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.34Å; E125-L129 PolarHBondContact O-N 2.91Å; S126-L129 PolarHBondContact O-N 3.07Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 2.98Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.25Å; L129-V132 PolarHBondContact O-N 2.86Å; L129-S133 PolarHBondContact O-N 3.41Å; L129-R140 VanDerWaalsContact CD1-NH1 3.29Å |
| 130 | S | 85.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -27.8 | 176.2 | 76.9 | 0 | 0 | 0 | 0 | 114 | S126 V127 V132 S133 | S126-S130 WeakPolarHBondContact O-CB 3.15Å; S126-S130 PolarHBondContact O-N 3.42Å; S126-S130 PolarHBondContact O-OG 3.07Å; V127-S130 PolarHBondContact O-N 3.38Å; V127-S130 VanDerWaalsContact O-N 3.12Å; V127-S130 PolarHBondContact O-OG 3.2Å; S130-V132 VanDerWaalsContact C-N 3.31Å; S130-S133 WeakPolarHBondContact CA-O 3.42Å |
| 131 | A | 86.5 | Confident | 83.9 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 72% | 0.719 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.4 | -19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V127 L128 L129 | V127-A131 PolarHBondContact O-N 2.98Å; L128-A131 PolarHBondContact O-N 3.46Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.25Å |
| 132 | V | 92.9 | Very high | 85.3 | Confident | 129 Ų | 129 | 77.5 Ų | 77.5 | 78% | 0.782 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -100.2 | -39.7 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | L128 L129 S130 | L128-V132 PolarHBondContact O-N 2.93Å; L129-V132 PolarHBondContact O-N 2.86Å; S130-V132 VanDerWaalsContact C-N 3.31Å |
| 133 | S | 89.3 | Confident | 86.5 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | trans | -140.3 | 138.7 | 175.4 | 69.5 | 0 | 0 | 0 | 0 | 112 | L129 S130 E135 | L129-S133 PolarHBondContact O-N 3.41Å; S130-S133 WeakPolarHBondContact CA-O 3.42Å; S133-E135 PolarHBondContact O-N 3.33Å; S133-E135 PolarHBondContact OG-OE2 3.17Å | ||
| 134 | G | 89 | Confident | 87.3 | Confident | 93 Ų | 93 | 78.7 Ų | 78.7 | 96% | 0.959 | 46% | 0.456 | S | S | * | . | trans | -75.6 | 36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 135 | E | 88.7 | Confident | 87.8 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -96.5 | 120.9 | -178.9 | -62.1 | 175.2 | 168.3 | 0 | 0 | 108.7 | S133 R140 R143 | S133-E135 PolarHBondContact O-N 3.33Å; S133-E135 PolarHBondContact OG-OE2 3.17Å; E135-R140 VanDerWaalsContact O-CZ 3.28Å; E135-R140 PolarHBondContact O-NE 3.31Å; E135-R140 VanDerWaalsContact O-NE 3.1Å; E135-R140 PolarHBondContact O-NH2 2.65Å; E135-R143 IonicContact OE1-CZ 2.75Å; E135-R143 IonicContact OE1-NH1 2.82Å; E135-R143 PolarHBondContact OE1-NH1 3.07Å; E135-R143 IonicContact OE1-NH2 3.26Å; E135-R143 PolarHBondContact OE1-NH2 2.95Å; E135-R143 IonicContact OE2-CZ 3.9Å; E135-R143 IonicContact OE2-NH1 3.9Å; E135-R143 PolarHBondContact OE2-NH1 3.44Å; E135-R143 IonicContact OE2-NH2 3.49Å | ||
| 136 | D | 86.9 | Confident | 88.4 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | trans | -78.9 | -174.3 | -178.7 | 61.5 | 20.5 | 0 | 0 | 0 | 112.8 | Q138 D139 R140 | D136-Q138 PolarHBondContact OD1-N 2.8Å; D136-D139 WeakPolarHBondContact OD1-CB 3.39Å; D136-D139 PolarHBondContact OD1-N 3.4Å; D136-R140 VanDerWaalsContact O-CD 3.25Å; D136-R140 WeakPolarHBondContact O-CD 3.2Å; D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-NE 2.83Å; D136-R140 VanDerWaalsContact O-NE 3.16Å | ||
| 137 | T | 85.5 | Confident | 89 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 173.7 | 36.1 | 0 | 0 | 0 | 0 | 111.7 | E116 R140 T141 | E116-T137 PolarHBondContact OE1-OG1 2.95Å; T137-R140 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-OG1 3.03Å |
| 138 | Q | 87.6 | Confident | 89.6 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -178.5 | -179.6 | 69.3 | 56.1 | 0 | 0 | 113 | V112 D136 R140 T141 D142 | V112-Q138 HydrophobicContact CG2-CB 4.24Å; D136-Q138 PolarHBondContact OD1-N 2.8Å; Q138-R140 PolarHBondContact O-N 2.83Å; Q138-T141 PolarHBondContact O-N 3.3Å; Q138-T141 PolarHBondContact O-OG1 3.32Å; Q138-D142 PolarHBondContact NE2-OD1 2.84Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CB 3.24Å; Q138-D142 WeakPolarHBondContact O-CB 3.45Å; Q138-D142 PolarHBondContact O-N 3.2Å |
| 139 | D | 89.1 | Confident | 90.1 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -23.7 | 179.6 | -144.4 | 44.6 | 0 | 0 | 0 | 111.3 | D136 R143 | D136-D139 WeakPolarHBondContact OD1-CB 3.39Å; D136-D139 PolarHBondContact OD1-N 3.4Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.27Å; D139-R143 PolarHBondContact O-N 3.35Å; D139-R143 PolarHBondContact O-NE 2.7Å; D139-R143 IonicContact OD2-CZ 3.09Å; D139-R143 IonicContact OD2-NE 3.2Å; D139-R143 IonicContact OD2-NH2 2.82Å; D139-R143 PolarHBondContact OD2-NH2 2.83Å |
| 140 | R | 88.2 | Confident | 90.6 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -83.1 | -44.9 | 175.9 | -62.7 | 166.3 | -159 | -167.3 | 3.8 | 112.3 | L129 E135 D136 T137 Q138 R143 L144 | L129-R140 VanDerWaalsContact CD1-NH1 3.29Å; E135-R140 VanDerWaalsContact O-CZ 3.28Å; E135-R140 PolarHBondContact O-NE 3.31Å; E135-R140 VanDerWaalsContact O-NE 3.1Å; E135-R140 PolarHBondContact O-NH2 2.65Å; D136-R140 VanDerWaalsContact O-CD 3.25Å; D136-R140 WeakPolarHBondContact O-CD 3.2Å; D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-NE 2.83Å; D136-R140 VanDerWaalsContact O-NE 3.16Å; T137-R140 PolarHBondContact O-N 3.11Å; Q138-R140 PolarHBondContact O-N 2.83Å; R140-R143 PolarHBondContact O-N 3.27Å; R140-L144 PolarHBondContact O-N 3.36Å |
| 141 | T | 89.1 | Confident | 91.1 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | S108 M111 V112 I115 T137 Q138 R143 L144 L145 | S108-T141 VanDerWaalsContact OG-C 3.3Å; S108-T141 PolarHBondContact OG-OG1 3.24Å; M111-T141 HydrophobicContact CG-CG2 4.15Å; M111-T141 HydrophobicContact SD-CG2 4.14Å; V112-T141 HydrophobicContact CG2-CG2 3.82Å; V112-T141 WeakPolarHBondContact CG2-OG1 3.44Å; I115-T141 HydrophobicContact CD1-CG2 4.49Å; T137-T141 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-OG1 3.03Å; Q138-T141 PolarHBondContact O-N 3.3Å; Q138-T141 PolarHBondContact O-OG1 3.32Å; T141-R143 PolarHBondContact O-N 3.21Å; T141-L144 PolarHBondContact O-N 2.62Å; T141-L145 PolarHBondContact O-N 2.86Å |
| 142 | D | 92.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -66.6 | -22.2 | 175.2 | -80 | -20.9 | 0 | 0 | 0 | 113.2 | S108 Q138 L146 T147 | S108-D142 WeakPolarHBondContact CB-OD1 3.38Å; S108-D142 PolarHBondContact OG-N 2.89Å; S108-D142 PolarHBondContact OG-OD1 2.97Å; Q138-D142 PolarHBondContact NE2-OD1 2.84Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CB 3.24Å; Q138-D142 WeakPolarHBondContact O-CB 3.45Å; Q138-D142 PolarHBondContact O-N 3.2Å; D142-L146 HydrophobicContact CB-CB 4.22Å; D142-L146 HydrophobicContact CB-CD2 4.37Å; D142-L146 PolarHBondContact O-N 3.25Å; D142-L146 WeakPolarHBondContact OD1-CD2 3.37Å; D142-T147 WeakPolarHBondContact O-CA 3.43Å; D142-T147 WeakPolarHBondContact O-CB 3.44Å; D142-T147 PolarHBondContact O-N 3.31Å; D142-T147 PolarHBondContact O-OG1 3.32Å |
| 143 | R | 92.1 | Very high | 91.8 | Very high | 118 Ų | 118 | 52.8 Ų | 52.8 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -75.7 | -35.3 | 169.3 | -78 | 164.8 | -163 | -154.1 | 5.6 | 112.7 | E135 D139 R140 T141 | E135-R143 IonicContact OE1-CZ 2.75Å; E135-R143 IonicContact OE1-NH1 2.82Å; E135-R143 PolarHBondContact OE1-NH1 3.07Å; E135-R143 IonicContact OE1-NH2 3.26Å; E135-R143 PolarHBondContact OE1-NH2 2.95Å; E135-R143 IonicContact OE2-CZ 3.9Å; E135-R143 IonicContact OE2-NH1 3.9Å; E135-R143 PolarHBondContact OE2-NH1 3.44Å; E135-R143 IonicContact OE2-NH2 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.27Å; D139-R143 PolarHBondContact O-N 3.35Å; D139-R143 PolarHBondContact O-NE 2.7Å; D139-R143 IonicContact OD2-CZ 3.09Å; D139-R143 IonicContact OD2-NE 3.2Å; D139-R143 IonicContact OD2-NH2 2.82Å; D139-R143 PolarHBondContact OD2-NH2 2.83Å; R140-R143 PolarHBondContact O-N 3.27Å; T141-R143 PolarHBondContact O-N 3.21Å |
| 144 | L | 92 | Very high | 92.2 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -76 | -51.6 | -179.4 | -178.2 | 62.2 | 0 | 0 | 0 | 112.4 | R140 T141 | R140-L144 PolarHBondContact O-N 3.36Å; T141-L144 PolarHBondContact O-N 2.62Å |
| 145 | L | 92 | Very high | 92.5 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -98.6 | -58.1 | -170.3 | -61 | 179.9 | 0 | 0 | 0 | 112.5 | M111 T141 P148 | M111-L145 HydrophobicContact SD-CD1 3.79Å; T141-L145 PolarHBondContact O-N 2.86Å; L145-P148 WeakPolarHBondContact O-CD 3.3Å |
| 146 | L | 94.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -75.5 | -43 | -170.5 | 179.5 | 57.4 | 0 | 0 | 0 | 113.5 | T101 A104 K105 D142 W149 V150 Y188 | T101-L146 WeakPolarHBondContact O-CD1 3.42Å; A104-L146 HydrophobicContact CB-CD1 4.42Å; K105-L146 HydrophobicContact CB-CD1 3.9Å; K105-L146 HydrophobicContact CB-CD2 4.04Å; K105-L146 HydrophobicContact CG-CD2 4Å; D142-L146 HydrophobicContact CB-CB 4.22Å; D142-L146 HydrophobicContact CB-CD2 4.37Å; D142-L146 PolarHBondContact O-N 3.25Å; D142-L146 WeakPolarHBondContact OD1-CD2 3.37Å; L146-W149 WeakPolarHBondContact O-CA 3.47Å; L146-W149 WeakPolarHBondContact O-CB 3.23Å; L146-W149 PolarHBondContact O-N 3.44Å; L146-V150 HydrophobicContact CD1-CG2 3.7Å; L146-V150 HydrophobicContact CG-CG2 3.74Å; L146-V150 PolarHBondContact O-N 3.07Å; L146-Y188 HydrophobicContact CD1-CE1 4.04Å; L146-Y188 HydrophobicContact CD2-CD1 4.21Å; L146-Y188 HydrophobicContact CD2-CE1 4.08Å; L146-Y188 HydrophobicContact CG-CE1 4.49Å |
| 147 | T | 93.8 | Very high | 93.4 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | -173.1 | -73.7 | 0 | 0 | 0 | 0 | 114 | D142 W149 V150 K151 | D142-T147 WeakPolarHBondContact O-CA 3.43Å; D142-T147 WeakPolarHBondContact O-CB 3.44Å; D142-T147 PolarHBondContact O-N 3.31Å; D142-T147 PolarHBondContact O-OG1 3.32Å; T147-W149 VanDerWaalsContact C-N 3.29Å; T147-W149 PolarHBondContact O-N 2.95Å; T147-V150 PolarHBondContact O-N 3.37Å; T147-K151 HydrophobicContact CG2-CD 4.04Å; T147-K151 HydrophobicContact CG2-CG 4.37Å; T147-K151 WeakPolarHBondContact O-CB 3.47Å; T147-K151 VanDerWaalsContact O-CG 3.28Å; T147-K151 WeakPolarHBondContact O-CG 3.13Å; T147-K151 PolarHBondContact O-N 2.81Å |
| 148 | P | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.4 | -40 | 170.2 | -28 | 35.9 | 0 | 0 | 0 | 113.7 | L145 F152 | L145-P148 WeakPolarHBondContact O-CD 3.3Å; P148-F152 PolarHBondContact O-N 2.75Å; P148-F152 VanDerWaalsContact O-N 3.14Å |
| 149 | W | 96.2 | Very high | 94.4 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.4 | -43 | 177.6 | -74.4 | 113 | 0 | 0 | 0 | 112.2 | V59 R62 K100 T101 A104 L146 T147 K151 F152 L153 | V59-W149 HydrophobicContact CG1-CZ3 4.22Å; V59-W149 WeakPolarHBondContact O-CZ3 3.3Å; R62-W149 HydrophobicContact CG-CE3 4Å; R62-W149 HydrophobicContact CG-CH2 3.69Å; R62-W149 HydrophobicContact CG-CZ2 4.23Å; R62-W149 HydrophobicContact CG-CZ3 3.56Å; K100-W149 HydrophobicContact CB-CE3 4.12Å; K100-W149 HydrophobicContact CB-CH2 4.37Å; K100-W149 HydrophobicContact CB-CZ3 3.94Å; K100-W149 HydrophobicContact CG-CZ3 4.5Å; T101-W149 HydrophobicContact CG2-CB 3.92Å; A104-W149 HydrophobicContact CB-CB 4.28Å; A104-W149 HydrophobicContact CB-CG 3.91Å; L146-W149 WeakPolarHBondContact O-CA 3.47Å; L146-W149 WeakPolarHBondContact O-CB 3.23Å; L146-W149 PolarHBondContact O-N 3.44Å; T147-W149 VanDerWaalsContact C-N 3.29Å; T147-W149 PolarHBondContact O-N 2.95Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 2.97Å; W149-F152 HydrophobicContact CE3-CD1 4.39Å; W149-F152 WeakPolarHBondContact O-CB 3.35Å; W149-F152 PolarHBondContact O-N 3.19Å; W149-F152 VanDerWaalsContact O-N 3.09Å; W149-L153 PolarHBondContact O-N 2.78Å |
| 150 | V | 96.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 173.8 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L146 T147 W154 F184 Y188 R190 | L146-V150 HydrophobicContact CD1-CG2 3.7Å; L146-V150 HydrophobicContact CG-CG2 3.74Å; L146-V150 PolarHBondContact O-N 3.07Å; T147-V150 PolarHBondContact O-N 3.37Å; V150-W154 WeakPolarHBondContact O-CB 3.34Å; V150-W154 PolarHBondContact O-N 3.4Å; V150-F184 HydrophobicContact CG1-CE2 3.93Å; V150-F184 HydrophobicContact CG1-CZ 3.76Å; V150-F184 WeakPolarHBondContact O-CZ 3.39Å; V150-Y188 HydrophobicContact CG2-CD1 3.79Å; V150-Y188 HydrophobicContact CG2-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CG 4.11Å; V150-R190 HydrophobicContact CG1-CG 4Å |
| 151 | K | 95.7 | Very high | 95.2 | Very high | 124 Ų | 124 | 35.7 Ų | 35.7 | 54% | 0.539 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 172.6 | -76.3 | 171.4 | 178.9 | 173.6 | 0 | 112.1 | T147 W149 E155 | T147-K151 HydrophobicContact CG2-CD 4.04Å; T147-K151 HydrophobicContact CG2-CG 4.37Å; T147-K151 WeakPolarHBondContact O-CB 3.47Å; T147-K151 VanDerWaalsContact O-CG 3.28Å; T147-K151 WeakPolarHBondContact O-CG 3.13Å; T147-K151 PolarHBondContact O-N 2.81Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 2.97Å; K151-E155 PolarHBondContact O-N 2.98Å |
| 152 | F | 96.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -47 | 176.3 | 173.9 | -93.9 | 0 | 0 | 0 | 111.9 | V59 R62 Y93 A97 P148 W149 E155 S156 | V59-F152 HydrophobicContact CB-CE1 4.31Å; V59-F152 HydrophobicContact CB-CZ 4.33Å; V59-F152 HydrophobicContact CG1-CE1 4.12Å; V59-F152 HydrophobicContact CG2-CE1 4.05Å; V59-F152 HydrophobicContact CG2-CZ 4.05Å; R62-F152 HydrophobicContact CB-CD2 3.98Å; R62-F152 HydrophobicContact CB-CE2 4.42Å; R62-F152 HydrophobicContact CB-CG 4.44Å; Y93-F152 HydrophobicContact CE2-CZ 4.31Å; A97-F152 HydrophobicContact CB-CE1 4.03Å; P148-F152 PolarHBondContact O-N 2.75Å; P148-F152 VanDerWaalsContact O-N 3.14Å; W149-F152 HydrophobicContact CE3-CD1 4.39Å; W149-F152 WeakPolarHBondContact O-CB 3.35Å; W149-F152 PolarHBondContact O-N 3.19Å; W149-F152 VanDerWaalsContact O-N 3.09Å; F152-E155 PolarHBondContact O-N 3.46Å; F152-S156 PolarHBondContact O-N 2.96Å |
| 153 | L | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.4 | 175.8 | 60.1 | 0 | 0 | 0 | 112.6 | A97 E98 T101 W149 E155 S156 Y157 F184 | A97-L153 HydrophobicContact CB-CD1 3.78Å; E98-L153 HydrophobicContact CG-CD1 4.05Å; E98-L153 HydrophobicContact CG-CD2 4.33Å; T101-L153 HydrophobicContact CG2-CB 3.62Å; T101-L153 HydrophobicContact CG2-CD2 3.63Å; T101-L153 HydrophobicContact CG2-CG 4.21Å; T101-L153 WeakPolarHBondContact OG1-CD2 3.48Å; W149-L153 PolarHBondContact O-N 2.78Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.46Å; L153-S156 WeakPolarHBondContact CA-OG 3.28Å; L153-S156 PolarHBondContact O-N 2.98Å; L153-S156 PolarHBondContact O-OG 3.11Å; L153-Y157 HydrophobicContact CD1-CD2 4.01Å; L153-Y157 HydrophobicContact CD1-CE1 4.43Å; L153-Y157 HydrophobicContact CD1-CE2 3.55Å; L153-Y157 HydrophobicContact CD2-CE2 4.03Å; L153-Y157 HydrophobicContact CG-CD2 4.01Å; L153-Y157 HydrophobicContact CG-CE2 3.56Å; L153-Y157 WeakPolarHBondContact O-CD2 3.49Å; L153-Y157 PolarHBondContact O-N 2.98Å; L153-F184 HydrophobicContact CB-CE2 4.2Å; L153-F184 HydrophobicContact CD2-CD2 3.47Å; L153-F184 VanDerWaalsContact CD2-CD2 3.47Å; L153-F184 HydrophobicContact CD2-CE2 3.62Å; L153-F184 HydrophobicContact CD2-CG 4.48Å; L153-F184 HydrophobicContact CG-CD2 3.95Å; L153-F184 HydrophobicContact CG-CE2 3.86Å |
| 154 | W | 97.5 | Very high | 95.7 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 171.3 | 163.4 | -111.1 | 0 | 0 | 0 | 111.7 | V150 S156 Y157 R158 F184 E193 K196 L197 | V150-W154 WeakPolarHBondContact O-CB 3.34Å; V150-W154 PolarHBondContact O-N 3.4Å; W154-S156 VanDerWaalsContact C-N 3.34Å; W154-S156 PolarHBondContact O-N 2.67Å; W154-Y157 PolarHBondContact O-N 3.43Å; W154-R158 HydrophobicContact CZ2-CB 4.33Å; W154-R158 WeakPolarHBondContact O-CB 3.39Å; W154-R158 PolarHBondContact O-N 2.96Å; W154-F184 HydrophobicContact CB-CE1 3.82Å; W154-F184 HydrophobicContact CB-CZ 3.83Å; W154-F184 HydrophobicContact CE3-CE1 4.14Å; W154-E193 HydrophobicContact CB-CG 4.27Å; W154-E193 HydrophobicContact CD2-CB 3.74Å; W154-E193 HydrophobicContact CD2-CG 3.71Å; W154-E193 HydrophobicContact CE3-CB 3.86Å; W154-E193 HydrophobicContact CE3-CG 4.31Å; W154-E193 HydrophobicContact CG-CB 4.19Å; W154-E193 HydrophobicContact CG-CG 3.62Å; W154-E193 WeakPolarHBondContact CH2-O 3.28Å; W154-E193 HydrophobicContact CZ2-CB 4.45Å; W154-E193 HydrophobicContact CZ3-CB 4.26Å; W154-K196 HydrophobicContact CH2-CB 4.27Å; W154-K196 HydrophobicContact CZ2-CB 3.82Å; W154-L197 HydrophobicContact CH2-CB 3.74Å; W154-L197 HydrophobicContact CH2-CD1 4.38Å; W154-L197 HydrophobicContact CZ3-CB 3.9Å; W154-L197 HydrophobicContact CZ3-CD1 4.32Å; W154-L197 HydrophobicContact CZ3-CD2 4.42Å; W154-L197 HydrophobicContact CZ3-CG 4.44Å |
| 155 | E | 96.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.5 | -32.4 | -179.2 | -176.8 | 60.5 | -160 | 0 | 0 | 111.6 | K151 F152 L153 R158 Q159 | K151-E155 PolarHBondContact O-N 2.98Å; F152-E155 PolarHBondContact O-N 3.46Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.46Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-NH1 3.94Å; E155-R158 PolarHBondContact OE1-NH1 3.46Å; E155-R158 WeakPolarHBondContact OE2-CD 3.11Å; E155-R158 IonicContact OE2-CZ 3.1Å; E155-R158 IonicContact OE2-NE 2.7Å; E155-R158 IonicContact OE2-NH1 3.58Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; E155-Q159 HydrophobicContact CG-CG 4.32Å; E155-Q159 VanDerWaalsContact CG-NE2 3.33Å; E155-Q159 VanDerWaalsContact O-CB 3.31Å; E155-Q159 WeakPolarHBondContact O-CB 3.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.2Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.45Å; E155-Q159 PolarHBondContact OE1-NE2 3.1Å |
| 156 | S | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 172.8 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | Y93 F152 L153 W154 R158 Q159 C160 | Y93-S156 WeakPolarHBondContact OH-CB 3.48Å; F152-S156 PolarHBondContact O-N 2.96Å; L153-S156 WeakPolarHBondContact CA-OG 3.28Å; L153-S156 PolarHBondContact O-N 2.98Å; L153-S156 PolarHBondContact O-OG 3.11Å; W154-S156 VanDerWaalsContact C-N 3.34Å; W154-S156 PolarHBondContact O-N 2.67Å; S156-R158 PolarHBondContact O-N 2.97Å; S156-Q159 PolarHBondContact O-N 3.42Å; S156-C160 WeakPolarHBondContact O-CB 3.32Å; S156-C160 PolarHBondContact O-N 3.1Å; S156-C160 PolarHBondContact O-SG 2.85Å |
| 157 | Y | 97.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 173.3 | -74 | -54.1 | 0 | 0 | 0 | 111.5 | L94 E98 L153 W154 Q159 C160 L161 I177 Q180 A181 F184 | L94-Y157 HydrophobicContact CD1-CD1 4.02Å; L94-Y157 HydrophobicContact CD1-CE1 4.25Å; L94-Y157 HydrophobicContact CD2-CD1 3.74Å; L94-Y157 HydrophobicContact CD2-CE1 4.14Å; L94-Y157 HydrophobicContact CD2-CG 4.41Å; L94-Y157 HydrophobicContact CG-CD1 4.44Å; E98-Y157 WeakPolarHBondContact CG-OH 3.41Å; E98-Y157 PolarHBondContact OE1-OH 2.85Å; L153-Y157 HydrophobicContact CD1-CD2 4.01Å; L153-Y157 HydrophobicContact CD1-CE1 4.43Å; L153-Y157 HydrophobicContact CD1-CE2 3.55Å; L153-Y157 HydrophobicContact CD2-CE2 4.03Å; L153-Y157 HydrophobicContact CG-CD2 4.01Å; L153-Y157 HydrophobicContact CG-CE2 3.56Å; L153-Y157 WeakPolarHBondContact O-CD2 3.49Å; L153-Y157 PolarHBondContact O-N 2.98Å; W154-Y157 PolarHBondContact O-N 3.43Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.41Å; Y157-C160 PolarHBondContact O-N 3.13Å; Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 3.11Å; Y157-I177 HydrophobicContact CD1-CG2 4.1Å; Y157-Q180 HydrophobicContact CE1-CB 3.94Å; Y157-A181 HydrophobicContact CD1-CB 4.3Å; Y157-A181 HydrophobicContact CD2-CB 4.23Å; Y157-A181 HydrophobicContact CG-CB 3.97Å; Y157-F184 HydrophobicContact CD2-CB 4.33Å; Y157-F184 HydrophobicContact CD2-CD1 4.01Å; Y157-F184 HydrophobicContact CD2-CG 4.06Å; Y157-F184 HydrophobicContact CE2-CB 3.48Å; Y157-F184 VanDerWaalsContact CE2-CB 3.48Å; Y157-F184 AromaticContact CE2-CD1 3.92Å; Y157-F184 HydrophobicContact CE2-CD1 3.92Å; Y157-F184 AromaticContact CE2-CD2 3.9Å; Y157-F184 HydrophobicContact CE2-CD2 3.9Å; Y157-F184 AromaticContact CE2-CG 3.49Å; Y157-F184 HydrophobicContact CE2-CG 3.49Å; Y157-F184 VanDerWaalsContact CE2-CG 3.49Å |
| 158 | R | 97.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 28.2 Ų | 28.2 | 33% | 0.328 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 178 | 175.9 | -178.3 | 167.3 | -135.1 | 2.1 | 111.6 | W154 E155 S156 L161 D162 | W154-R158 HydrophobicContact CZ2-CB 4.33Å; W154-R158 WeakPolarHBondContact O-CB 3.39Å; W154-R158 PolarHBondContact O-N 2.96Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-NH1 3.94Å; E155-R158 PolarHBondContact OE1-NH1 3.46Å; E155-R158 WeakPolarHBondContact OE2-CD 3.11Å; E155-R158 IonicContact OE2-CZ 3.1Å; E155-R158 IonicContact OE2-NE 2.7Å; E155-R158 IonicContact OE2-NH1 3.58Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; S156-R158 PolarHBondContact O-N 2.97Å; R158-L161 PolarHBondContact O-N 2.88Å; R158-D162 PolarHBondContact O-N 2.83Å |
| 159 | Q | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | -180 | -72.5 | 171.5 | -1.4 | 0 | 0 | 112.5 | S64 K68 E155 S156 Y157 D162 L163 | S64-Q159 PolarHBondContact O-OE1 2.74Å; K68-Q159 HydrophobicContact CB-CG 4.3Å; K68-Q159 HydrophobicContact CD-CG 3.99Å; K68-Q159 HydrophobicContact CG-CB 4.42Å; K68-Q159 HydrophobicContact CG-CG 4.16Å; E155-Q159 HydrophobicContact CG-CG 4.32Å; E155-Q159 VanDerWaalsContact CG-NE2 3.33Å; E155-Q159 VanDerWaalsContact O-CB 3.31Å; E155-Q159 WeakPolarHBondContact O-CB 3.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.2Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.45Å; E155-Q159 PolarHBondContact OE1-NE2 3.1Å; S156-Q159 PolarHBondContact O-N 3.42Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.41Å; Q159-D162 PolarHBondContact O-N 3.06Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.01Å |
| 160 | C | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 173.5 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | V90 L94 S156 Y157 L163 L164 I177 | V90-C160 HydrophobicContact CG1-CB 4.23Å; L94-C160 HydrophobicContact CD1-CB 4.31Å; S156-C160 WeakPolarHBondContact O-CB 3.32Å; S156-C160 PolarHBondContact O-N 3.1Å; S156-C160 PolarHBondContact O-SG 2.85Å; Y157-C160 PolarHBondContact O-N 3.13Å; C160-L163 PolarHBondContact O-N 3.15Å; C160-L164 WeakPolarHBondContact O-CB 3.26Å; C160-L164 VanDerWaalsContact O-CG 3.26Å; C160-L164 WeakPolarHBondContact O-CG 3.27Å; C160-L164 PolarHBondContact O-N 2.93Å; C160-I177 HydrophobicContact CB-CD1 4.27Å; C160-I177 HydrophobicContact CB-CG2 4.43Å |
| 161 | L | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 173.6 | -67.5 | 170.8 | 0 | 0 | 0 | 112.2 | Y157 R158 L163 L164 R165 Y174 I177 A178 L197 | Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 3.11Å; R158-L161 PolarHBondContact O-N 2.88Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 3.46Å; L161-R165 PolarHBondContact O-N 3.05Å; L161-Y174 HydrophobicContact CB-CE2 4.12Å; L161-Y174 HydrophobicContact CD2-CD2 3.73Å; L161-Y174 HydrophobicContact CD2-CE2 3.69Å; L161-Y174 HydrophobicContact CD2-CG 4.28Å; L161-Y174 WeakPolarHBondContact CD2-O 3.17Å; L161-Y174 WeakPolarHBondContact O-CE2 3.22Å; L161-I177 HydrophobicContact CD2-CB 4.26Å; L161-I177 HydrophobicContact CD2-CG2 3.91Å; L161-I177 HydrophobicContact CG-CG2 4Å; L161-A178 HydrophobicContact CD2-CB 4.11Å; L161-L197 HydrophobicContact CD1-CD1 3.59Å |
| 162 | D | 95.6 | Very high | 95 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -36.1 | 172.3 | -102.4 | -42 | 0 | 0 | 0 | 112.3 | R158 Q159 R165 H204 | R158-D162 PolarHBondContact O-N 2.83Å; Q159-D162 PolarHBondContact O-N 3.06Å; D162-R165 WeakPolarHBondContact O-CD 3.32Å; D162-R165 WeakPolarHBondContact O-CG 3.29Å; D162-R165 PolarHBondContact O-NE 3.45Å; D162-R165 IonicContact OD1-CZ 3.92Å; D162-R165 IonicContact OD1-NH1 2.88Å; D162-R165 PolarHBondContact OD1-NH1 2.68Å; D162-R165 IonicContact OD1-NH2 2.77Å; D162-R165 PolarHBondContact OD1-NH2 2.94Å; D162-H204 IonicContact OD1-NE2 3.59Å |
| 163 | L | 94.6 | Very high | 95 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.9 | -42.1 | -179.5 | -179.6 | 73.1 | 0 | 0 | 0 | 112.9 | L71 Y72 K75 V90 Q159 C160 L161 | L71-L163 HydrophobicContact CB-CD2 3.82Å; Y72-L163 HydrophobicContact CD2-CD1 4.26Å; K75-L163 HydrophobicContact CB-CD1 4.19Å; K75-L163 HydrophobicContact CD-CD1 3.65Å; K75-L163 HydrophobicContact CD-CG 4.14Å; K75-L163 PolarHBondContact NZ-O 3.24Å; V90-L163 HydrophobicContact CG2-CD2 4.38Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.01Å; C160-L163 PolarHBondContact O-N 3.15Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.4Å |
| 164 | L | 94.2 | Very high | 95 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -91.8 | -13.8 | -169.7 | -64 | 171.4 | 0 | 0 | 0 | 114.2 | L86 V90 C160 L161 V170 L173 Y174 I177 | L86-L164 HydrophobicContact CD2-CD2 4.38Å; V90-L164 HydrophobicContact CG1-CD1 4.36Å; C160-L164 WeakPolarHBondContact O-CB 3.26Å; C160-L164 VanDerWaalsContact O-CG 3.26Å; C160-L164 WeakPolarHBondContact O-CG 3.27Å; C160-L164 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 3.46Å; L164-V170 HydrophobicContact CB-CG2 4.2Å; L164-V170 HydrophobicContact CD2-CB 4.13Å; L164-V170 HydrophobicContact CD2-CG2 3.73Å; L164-L173 HydrophobicContact CD1-CD2 3.76Å; L164-L173 HydrophobicContact CD1-CG 3.85Å; L164-L173 HydrophobicContact CD2-CD2 4.37Å; L164-Y174 HydrophobicContact CB-CD2 4.1Å; L164-I177 HydrophobicContact CD1-CD1 3.63Å |
| 165 | R | 94.3 | Very high | 95 | Very high | 73 Ų | 73 | 29.3 Ų | 29.3 | 28% | 0.275 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 152.2 | -179.8 | 70.7 | -170.7 | 174.2 | -161.6 | -11.3 | 114.3 | L161 D162 N167 Y174 H204 | L161-R165 PolarHBondContact O-N 3.05Å; D162-R165 WeakPolarHBondContact O-CD 3.32Å; D162-R165 WeakPolarHBondContact O-CG 3.29Å; D162-R165 PolarHBondContact O-NE 3.45Å; D162-R165 IonicContact OD1-CZ 3.92Å; D162-R165 IonicContact OD1-NH1 2.88Å; D162-R165 PolarHBondContact OD1-NH1 2.68Å; D162-R165 IonicContact OD1-NH2 2.77Å; D162-R165 PolarHBondContact OD1-NH2 2.94Å; R165-N167 PolarHBondContact O-N 3.23Å; R165-N167 VanDerWaalsContact O-N 3.15Å; R165-Y174 HydrophobicContact CB-CE2 4.11Å; R165-H204 VanDerWaalsContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-NE2 3.28Å; R165-H204 PolarHBondContact NH1-NE2 3.23Å |
| 166 | N | 90.1 | Very high | 95 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 13% | 0.128 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 20.3 | 172.5 | -46.6 | -26 | 0 | 0 | 0 | 115.2 | Q207 I208 | N166-Q207 PolarHBondContact ND2-OE1 3.06Å; N166-I208 WeakPolarHBondContact OD1-CG1 3.17Å |
| 167 | N | 91.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | trans | -121 | 106.8 | 179 | -179.9 | 9.6 | 0 | 0 | 0 | 111.2 | R165 K169 V170 E171 T216 | R165-N167 PolarHBondContact O-N 3.23Å; R165-N167 VanDerWaalsContact O-N 3.15Å; N167-K169 PolarHBondContact O-N 2.97Å; N167-K169 VanDerWaalsContact O-N 3.14Å; N167-K169 PolarHBondContact OD1-N 3.42Å; N167-V170 HydrophobicContact CB-CG2 3.9Å; N167-V170 WeakPolarHBondContact ND2-CG2 3.48Å; N167-V170 PolarHBondContact O-N 2.87Å; N167-E171 PolarHBondContact O-N 3.31Å; N167-T216 WeakPolarHBondContact CA-O 3.43Å | ||
| 168 | S | 91.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 28.6 Ų | 28.6 | 38% | 0.378 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -59.5 | -24.4 | -178.2 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | V170 T216 | S168-V170 PolarHBondContact O-N 3.49Å; S168-T216 PolarHBondContact N-O 3.47Å; S168-T216 PolarHBondContact OG-O 2.88Å |
| 169 | K | 90.4 | Very high | 95.1 | Very high | 118 Ų | 118 | 26.6 Ų | 26.6 | 51% | 0.513 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -71.8 | -24.2 | 179.2 | -68.2 | -170.7 | 179.6 | -175.3 | 0 | 114.6 | I83 N167 | I83-K169 HydrophobicContact CD1-CB 3.86Å; I83-K169 HydrophobicContact CD1-CD 4.04Å; N167-K169 PolarHBondContact O-N 2.97Å; N167-K169 VanDerWaalsContact O-N 3.14Å; N167-K169 PolarHBondContact OD1-N 3.42Å |
| 170 | V | 93.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -123.6 | 16.9 | -177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | I83 E87 L164 N167 S168 R172 L173 Y174 | I83-V170 HydrophobicContact CD1-CG1 3.64Å; I83-V170 HydrophobicContact CG1-CG1 3.7Å; E87-V170 HydrophobicContact CG-CG1 4.1Å; L164-V170 HydrophobicContact CB-CG2 4.2Å; L164-V170 HydrophobicContact CD2-CB 4.13Å; L164-V170 HydrophobicContact CD2-CG2 3.73Å; N167-V170 HydrophobicContact CB-CG2 3.9Å; N167-V170 WeakPolarHBondContact ND2-CG2 3.48Å; N167-V170 PolarHBondContact O-N 2.87Å; S168-V170 PolarHBondContact O-N 3.49Å; V170-R172 PolarHBondContact O-N 2.98Å; V170-L173 PolarHBondContact O-N 2.8Å; V170-Y174 PolarHBondContact O-N 3.43Å |
| 171 | E | 94.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | -177.6 | -174.3 | -175.6 | 168.4 | 0 | 0 | 111.1 | N167 Y174 H175 I218 S225 M228 H229 | N167-E171 PolarHBondContact O-N 3.31Å; E171-Y174 WeakPolarHBondContact O-CB 3.2Å; E171-Y174 PolarHBondContact O-N 3.43Å; E171-H175 VanDerWaalsContact CG-NE2 3.29Å; E171-H175 WeakPolarHBondContact CG-NE2 3.3Å; E171-H175 PolarHBondContact O-CD2 2.78Å; E171-H175 PolarHBondContact O-N 3.3Å; E171-H175 IonicContact OE1-CD2 3.63Å; E171-H175 IonicContact OE1-NE2 2.59Å; E171-H175 PolarHBondContact OE1-NE2 2.77Å; E171-I218 HydrophobicContact CB-CD1 4.4Å; E171-I218 HydrophobicContact CG-CD1 3.93Å; E171-I218 HydrophobicContact CG-CG1 4.36Å; E171-S225 VanDerWaalsContact OE1-CA 3.29Å; E171-S225 WeakPolarHBondContact OE1-CA 3.19Å; E171-S225 WeakPolarHBondContact OE1-CB 3.46Å; E171-S225 PolarHBondContact OE1-OG 3.1Å; E171-S225 VanDerWaalsContact OE2-CB 3.29Å; E171-S225 WeakPolarHBondContact OE2-CB 3.39Å; E171-S225 PolarHBondContact OE2-OG 2.85Å; E171-M228 HydrophobicContact CB-CE 4.34Å; E171-M228 HydrophobicContact CG-CE 3.85Å; E171-H229 IonicContact OE1-CD2 3.37Å; E171-H229 PolarHBondContact OE1-CD2 2.83Å; E171-H229 IonicContact OE1-NE2 2.76Å |
| 172 | R | 95.8 | Very high | 95.2 | Very high | 130 Ų | 130 | 28.6 Ų | 28.6 | 49% | 0.491 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.7 | -50 | 176.2 | -178.6 | 51.8 | 163.1 | 149.5 | -15.4 | 112 | V170 Y174 H175 D176 M228 | V170-R172 PolarHBondContact O-N 2.98Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.31Å; R172-H175 PolarHBondContact O-N 3.3Å; R172-D176 WeakPolarHBondContact CD-OD1 3.22Å; R172-D176 IonicContact CZ-OD1 3.92Å; R172-D176 VanDerWaalsContact CZ-OD1 3.26Å; R172-D176 IonicContact NE-OD1 2.72Å; R172-D176 PolarHBondContact NE-OD1 2.66Å; R172-D176 IonicContact NH1-OD1 3.47Å; R172-D176 PolarHBondContact NH1-OD1 3.36Å; R172-D176 VanDerWaalsContact O-CG 3.23Å; R172-D176 PolarHBondContact O-N 3.26Å; R172-M228 HydrophobicContact CB-SD 4.24Å |
| 173 | L | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.9 | 178.2 | 65.2 | 0 | 0 | 0 | 112.1 | E87 V90 R91 L164 V170 H175 D176 I177 | E87-L173 HydrophobicContact CB-CD2 3.78Å; E87-L173 HydrophobicContact CG-CD2 3.84Å; V90-L173 HydrophobicContact CB-CD2 4.28Å; V90-L173 HydrophobicContact CG1-CD2 4.24Å; R91-L173 HydrophobicContact CG-CD1 3.73Å; L164-L173 HydrophobicContact CD1-CD2 3.76Å; L164-L173 HydrophobicContact CD1-CG 3.85Å; L164-L173 HydrophobicContact CD2-CD2 4.37Å; V170-L173 PolarHBondContact O-N 2.8Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.81Å; L173-D176 PolarHBondContact O-N 3Å; L173-I177 HydrophobicContact CD1-CD1 3.74Å; L173-I177 HydrophobicContact CD1-CG1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.32Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CB 3.24Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.41Å; L173-I177 PolarHBondContact O-N 3.46Å |
| 174 | Y | 97.6 | Very high | 95.3 | Very high | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 174.7 | 171.4 | -86.8 | 0 | 0 | 0 | 111.7 | L161 L164 R165 V170 E171 R172 A178 L201 H204 | L161-Y174 HydrophobicContact CB-CE2 4.12Å; L161-Y174 HydrophobicContact CD2-CD2 3.73Å; L161-Y174 HydrophobicContact CD2-CE2 3.69Å; L161-Y174 HydrophobicContact CD2-CG 4.28Å; L161-Y174 WeakPolarHBondContact CD2-O 3.17Å; L161-Y174 WeakPolarHBondContact O-CE2 3.22Å; L164-Y174 HydrophobicContact CB-CD2 4.1Å; R165-Y174 HydrophobicContact CB-CE2 4.11Å; V170-Y174 PolarHBondContact O-N 3.43Å; E171-Y174 WeakPolarHBondContact O-CB 3.2Å; E171-Y174 PolarHBondContact O-N 3.43Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.31Å; Y174-A178 WeakPolarHBondContact O-CB 3.44Å; Y174-A178 PolarHBondContact O-N 2.89Å; Y174-L201 HydrophobicContact CE1-CD2 4.37Å; Y174-L201 VanDerWaalsContact OH-CD2 3.22Å; Y174-L201 WeakPolarHBondContact OH-CD2 3.48Å; Y174-H204 AromaticContact CE2-ND1 3.67Å; Y174-H204 AromaticContact CZ-ND1 3.73Å; Y174-H204 WeakPolarHBondContact OH-CB 2.92Å; Y174-H204 PolarHBondContact OH-ND1 3.43Å |
| 175 | H | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.6 | -36.4 | 178 | -68.1 | -54.7 | 0 | 0 | 0 | 112.8 | E171 R172 L173 A178 Q179 M228 H229 T232 | E171-H175 VanDerWaalsContact CG-NE2 3.29Å; E171-H175 WeakPolarHBondContact CG-NE2 3.3Å; E171-H175 PolarHBondContact O-CD2 2.78Å; E171-H175 PolarHBondContact O-N 3.3Å; E171-H175 IonicContact OE1-CD2 3.63Å; E171-H175 IonicContact OE1-NE2 2.59Å; E171-H175 PolarHBondContact OE1-NE2 2.77Å; R172-H175 PolarHBondContact O-N 3.3Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.81Å; H175-A178 PolarHBondContact O-N 2.66Å; H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 2.79Å; H175-Q179 VanDerWaalsContact O-N 3.12Å; H175-M228 HydrophobicContact CB-CB 4.3Å; H175-M228 WeakPolarHBondContact CD2-CB 3.46Å; H175-H229 AromaticContact CE1-CD2 3.6Å; H175-H229 AromaticContact CE1-CE1 3.7Å; H175-H229 AromaticContact CE1-CG 3.61Å; H175-H229 AromaticContact CE1-ND1 3.67Å; H175-H229 AromaticContact CE1-NE2 3.68Å; H175-H229 AromaticContact NE2-CD2 3.64Å; H175-H229 AromaticContact NE2-NE2 3.87Å; H175-T232 HydrophobicContact CB-CG2 3.61Å; H175-T232 WeakPolarHBondContact ND1-CG2 3.23Å; H175-T232 WeakPolarHBondContact O-CG2 3.49Å |
| 176 | D | 97.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 172 | -67.3 | -5.3 | 0 | 0 | 0 | 110.6 | R91 R172 L173 A178 Q179 Q180 | R91-D176 IonicContact CZ-OD2 3.7Å; R91-D176 IonicContact NH1-OD2 2.71Å; R91-D176 PolarHBondContact NH1-OD2 3.2Å; R91-D176 IonicContact NH2-OD2 2.62Å; R91-D176 PolarHBondContact NH2-OD2 3.02Å; R172-D176 WeakPolarHBondContact CD-OD1 3.22Å; R172-D176 IonicContact CZ-OD1 3.92Å; R172-D176 VanDerWaalsContact CZ-OD1 3.26Å; R172-D176 IonicContact NE-OD1 2.72Å; R172-D176 PolarHBondContact NE-OD1 2.66Å; R172-D176 IonicContact NH1-OD1 3.47Å; R172-D176 PolarHBondContact NH1-OD1 3.36Å; R172-D176 VanDerWaalsContact O-CG 3.23Å; R172-D176 PolarHBondContact O-N 3.26Å; L173-D176 PolarHBondContact O-N 3Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 2.94Å; D176-Q179 WeakPolarHBondContact O-CB 3.13Å; D176-Q179 PolarHBondContact O-N 3.18Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; D176-Q180 PolarHBondContact O-N 3.5Å |
| 177 | I | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | -179.6 | -68.5 | 170 | 0 | 0 | 0 | 111.2 | V90 L94 Y157 C160 L161 L164 L173 Q179 Q180 A181 | V90-I177 HydrophobicContact CG1-CD1 3.7Å; L94-I177 HydrophobicContact CD1-CB 4.41Å; L94-I177 HydrophobicContact CD1-CD1 3.64Å; L94-I177 HydrophobicContact CD1-CG1 3.65Å; L94-I177 HydrophobicContact CD1-CG2 3.89Å; Y157-I177 HydrophobicContact CD1-CG2 4.1Å; C160-I177 HydrophobicContact CB-CD1 4.27Å; C160-I177 HydrophobicContact CB-CG2 4.43Å; L161-I177 HydrophobicContact CD2-CB 4.26Å; L161-I177 HydrophobicContact CD2-CG2 3.91Å; L161-I177 HydrophobicContact CG-CG2 4Å; L164-I177 HydrophobicContact CD1-CD1 3.63Å; L173-I177 HydrophobicContact CD1-CD1 3.74Å; L173-I177 HydrophobicContact CD1-CG1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.32Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CB 3.24Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.41Å; L173-I177 PolarHBondContact O-N 3.46Å; I177-Q179 VanDerWaalsContact C-N 3.31Å; I177-Q179 PolarHBondContact O-N 2.73Å; I177-Q180 PolarHBondContact O-N 2.68Å; I177-A181 WeakPolarHBondContact O-CB 3.1Å; I177-A181 PolarHBondContact O-N 2.91Å |
| 178 | A | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L161 Y174 H175 D176 F182 L201 T232 | L161-A178 HydrophobicContact CD2-CB 4.11Å; Y174-A178 WeakPolarHBondContact O-CB 3.44Å; Y174-A178 PolarHBondContact O-N 2.89Å; H175-A178 PolarHBondContact O-N 2.66Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 2.94Å; A178-F182 WeakPolarHBondContact O-CD2 3.42Å; A178-F182 PolarHBondContact O-N 2.98Å; A178-F182 VanDerWaalsContact O-N 3.16Å; A178-L201 HydrophobicContact CB-CD2 4.28Å; A178-T232 HydrophobicContact CB-CG2 4.13Å |
| 179 | Q | 97.3 | Very high | 95.8 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -37.9 | 174.7 | -64.6 | 175.9 | 29.5 | 0 | 0 | 112.2 | H175 D176 I177 F182 K183 T232 V235 | H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 2.79Å; H175-Q179 VanDerWaalsContact O-N 3.12Å; D176-Q179 WeakPolarHBondContact O-CB 3.13Å; D176-Q179 PolarHBondContact O-N 3.18Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; I177-Q179 VanDerWaalsContact C-N 3.31Å; I177-Q179 PolarHBondContact O-N 2.73Å; Q179-F182 PolarHBondContact O-N 3.04Å; Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 2.78Å; Q179-K183 VanDerWaalsContact O-N 3.1Å; Q179-T232 HydrophobicContact CG-CG2 4.05Å; Q179-V235 HydrophobicContact CB-CG1 4.45Å; Q179-V235 HydrophobicContact CG-CB 4.29Å; Q179-V235 HydrophobicContact CG-CG1 4.36Å; Q179-V235 HydrophobicContact CG-CG2 4.1Å |
| 180 | Q | 96.3 | Very high | 96 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 171.8 | -71.6 | 174.4 | -91.6 | 0 | 0 | 111.4 | E98 Y157 D176 I177 F182 K183 F184 | E98-Q180 PolarHBondContact OE1-NE2 3.18Å; Y157-Q180 HydrophobicContact CE1-CB 3.94Å; D176-Q180 PolarHBondContact O-N 3.5Å; I177-Q180 PolarHBondContact O-N 2.68Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 2.73Å; Q180-K183 WeakPolarHBondContact O-CA 3.34Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 2.99Å; Q180-F184 PolarHBondContact O-N 2.61Å |
| 181 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -33.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y157 I177 C185 L197 | Y157-A181 HydrophobicContact CD1-CB 4.3Å; Y157-A181 HydrophobicContact CD2-CB 4.23Å; Y157-A181 HydrophobicContact CG-CB 3.97Å; I177-A181 WeakPolarHBondContact O-CB 3.1Å; I177-A181 PolarHBondContact O-N 2.91Å; A181-C185 PolarHBondContact O-N 2.95Å; A181-C185 PolarHBondContact O-SG 3.26Å; A181-L197 HydrophobicContact CB-CD1 4.29Å; A181-L197 HydrophobicContact CB-CD2 3.66Å |
| 182 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -40.2 | 171.3 | -74.7 | -50.3 | 0 | 0 | 0 | 113.3 | A178 Q179 Q180 C185 L186 F194 L197 L201 V235 Q236 | A178-F182 WeakPolarHBondContact O-CD2 3.42Å; A178-F182 PolarHBondContact O-N 2.98Å; A178-F182 VanDerWaalsContact O-N 3.16Å; Q179-F182 PolarHBondContact O-N 3.04Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 2.73Å; F182-C185 PolarHBondContact O-N 2.96Å; F182-L186 PolarHBondContact O-N 3.43Å; F182-L186 VanDerWaalsContact O-N 3.12Å; F182-F194 AromaticContact CD1-CD2 3.71Å; F182-F194 HydrophobicContact CD1-CD2 3.71Å; F182-F194 AromaticContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CZ 4.3Å; F182-F194 AromaticContact CE1-CD2 3.99Å; F182-F194 HydrophobicContact CE1-CD2 3.99Å; F182-F194 AromaticContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CZ 4.13Å; F182-F194 HydrophobicContact CG-CE2 4.44Å; F182-L197 HydrophobicContact CD1-CD2 3.4Å; F182-L197 VanDerWaalsContact CD1-CD2 3.4Å; F182-L197 HydrophobicContact CD1-CG 4.21Å; F182-L197 HydrophobicContact CE1-CB 4.41Å; F182-L197 HydrophobicContact CE1-CD2 3.49Å; F182-L197 VanDerWaalsContact CE1-CD2 3.49Å; F182-L197 HydrophobicContact CE1-CG 3.76Å; F182-L197 HydrophobicContact CG-CD2 3.97Å; F182-L197 HydrophobicContact CZ-CD2 4.11Å; F182-L197 HydrophobicContact CZ-CG 4.11Å; F182-L201 HydrophobicContact CE2-CD1 3.71Å; F182-L201 HydrophobicContact CZ-CD1 3.44Å; F182-L201 VanDerWaalsContact CZ-CD1 3.44Å; F182-V235 HydrophobicContact CB-CG1 4.07Å; F182-V235 HydrophobicContact CD2-CG1 4.19Å; F182-Q236 HydrophobicContact CD2-CB 4.35Å; F182-Q236 HydrophobicContact CE1-CB 4.04Å; F182-Q236 HydrophobicContact CE1-CG 3.83Å; F182-Q236 HydrophobicContact CE2-CB 3.6Å; F182-Q236 HydrophobicContact CE2-CG 4.2Å; F182-Q236 HydrophobicContact CZ-CB 3.4Å; F182-Q236 VanDerWaalsContact CZ-CB 3.4Å; F182-Q236 HydrophobicContact CZ-CG 3.47Å; F182-Q236 VanDerWaalsContact CZ-CG 3.47Å |
| 183 | K | 96.3 | Very high | 96.1 | Very high | 137 Ų | 137 | 37.6 Ų | 37.6 | 60% | 0.596 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.6 | -44.7 | 173.3 | -71.5 | 176.3 | 177.9 | -175.8 | 0 | 111.7 | Q179 Q180 C185 L186 Q187 | Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 2.78Å; Q179-K183 VanDerWaalsContact O-N 3.1Å; Q180-K183 WeakPolarHBondContact O-CA 3.34Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 2.99Å; K183-C185 VanDerWaalsContact C-N 3.34Å; K183-C185 PolarHBondContact O-N 3.2Å; K183-L186 WeakPolarHBondContact O-CB 3.32Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.1Å; K183-Q187 WeakPolarHBondContact O-CB 3.25Å; K183-Q187 PolarHBondContact O-N 3.5Å |
| 184 | F | 96.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.8 | -47 | 171.8 | 158 | -96.6 | 0 | 0 | 0 | 112.1 | V150 L153 W154 Y157 Q180 L186 Q187 Y188 R190 | V150-F184 HydrophobicContact CG1-CE2 3.93Å; V150-F184 HydrophobicContact CG1-CZ 3.76Å; V150-F184 WeakPolarHBondContact O-CZ 3.39Å; L153-F184 HydrophobicContact CB-CE2 4.2Å; L153-F184 HydrophobicContact CD2-CD2 3.47Å; L153-F184 VanDerWaalsContact CD2-CD2 3.47Å; L153-F184 HydrophobicContact CD2-CE2 3.62Å; L153-F184 HydrophobicContact CD2-CG 4.48Å; L153-F184 HydrophobicContact CG-CD2 3.95Å; L153-F184 HydrophobicContact CG-CE2 3.86Å; W154-F184 HydrophobicContact CB-CE1 3.82Å; W154-F184 HydrophobicContact CB-CZ 3.83Å; W154-F184 HydrophobicContact CE3-CE1 4.14Å; Y157-F184 HydrophobicContact CD2-CB 4.33Å; Y157-F184 HydrophobicContact CD2-CD1 4.01Å; Y157-F184 HydrophobicContact CD2-CG 4.06Å; Y157-F184 HydrophobicContact CE2-CB 3.48Å; Y157-F184 VanDerWaalsContact CE2-CB 3.48Å; Y157-F184 AromaticContact CE2-CD1 3.92Å; Y157-F184 HydrophobicContact CE2-CD1 3.92Å; Y157-F184 AromaticContact CE2-CD2 3.9Å; Y157-F184 HydrophobicContact CE2-CD2 3.9Å; Y157-F184 AromaticContact CE2-CG 3.49Å; Y157-F184 HydrophobicContact CE2-CG 3.49Å; Y157-F184 VanDerWaalsContact CE2-CG 3.49Å; Q180-F184 PolarHBondContact O-N 2.61Å; F184-L186 PolarHBondContact O-N 2.74Å; F184-Q187 PolarHBondContact O-N 3.38Å; F184-Y188 AromaticContact CD2-CD2 3.48Å; F184-Y188 HydrophobicContact CD2-CD2 3.48Å; F184-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F184-Y188 AromaticContact CD2-CE2 3.84Å; F184-Y188 HydrophobicContact CD2-CE2 3.84Å; F184-Y188 AromaticContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CE2 4.17Å; F184-Y188 HydrophobicContact CE2-CG 4.44Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 PolarHBondContact O-N 2.83Å; F184-R190 HydrophobicContact CZ-CG 4.44Å |
| 185 | C | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 177.8 | -69 | 0 | 0 | 0 | 0 | 112.4 | A181 F182 K183 T189 R190 F194 M243 | A181-C185 PolarHBondContact O-N 2.95Å; A181-C185 PolarHBondContact O-SG 3.26Å; F182-C185 PolarHBondContact O-N 2.96Å; K183-C185 VanDerWaalsContact C-N 3.34Å; K183-C185 PolarHBondContact O-N 3.2Å; C185-T189 CarbonylContact O-C 3.6Å; C185-T189 WeakPolarHBondContact O-CA 3.28Å; C185-T189 PolarHBondContact O-N 2.71Å; C185-R190 PolarHBondContact O-N 2.72Å; C185-F194 HydrophobicContact CB-CB 4.16Å; C185-F194 HydrophobicContact CB-CD2 4.02Å; C185-M243 HydrophobicContact CB-CE 4.23Å |
| 186 | L | 95.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.3 | -48.5 | 175.8 | -177.5 | 65.2 | 0 | 0 | 0 | 111.9 | F182 K183 F184 Y188 T189 M243 | F182-L186 PolarHBondContact O-N 3.43Å; F182-L186 VanDerWaalsContact O-N 3.12Å; K183-L186 WeakPolarHBondContact O-CB 3.32Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.1Å; F184-L186 PolarHBondContact O-N 2.74Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 2.82Å; L186-T189 PolarHBondContact O-N 3.23Å; L186-M243 HydrophobicContact CD1-CG 3.64Å |
| 187 | Q | 94.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -33.8 | -177.7 | 178.9 | 173.3 | -11.4 | 0 | 0 | 113.4 | E102 K183 F184 | E102-Q187 PolarHBondContact OE1-NE2 3.06Å; K183-Q187 WeakPolarHBondContact O-CB 3.25Å; K183-Q187 PolarHBondContact O-N 3.5Å; F184-Q187 PolarHBondContact O-N 3.38Å |
| 188 | Y | 92.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 18.7 | 177.9 | -61.9 | -79.4 | 0 | 0 | 0 | 112.9 | T101 K105 L146 V150 F184 L186 R190 | T101-Y188 PolarHBondContact OG1-OH 3.1Å; K105-Y188 HydrophobicContact CD-CE1 4.24Å; L146-Y188 HydrophobicContact CD1-CE1 4.04Å; L146-Y188 HydrophobicContact CD2-CD1 4.21Å; L146-Y188 HydrophobicContact CD2-CE1 4.08Å; L146-Y188 HydrophobicContact CG-CE1 4.49Å; V150-Y188 HydrophobicContact CG2-CD1 3.79Å; V150-Y188 HydrophobicContact CG2-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CG 4.11Å; F184-Y188 AromaticContact CD2-CD2 3.48Å; F184-Y188 HydrophobicContact CD2-CD2 3.48Å; F184-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F184-Y188 AromaticContact CD2-CE2 3.84Å; F184-Y188 HydrophobicContact CD2-CE2 3.84Å; F184-Y188 AromaticContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CE2 4.17Å; F184-Y188 HydrophobicContact CE2-CG 4.44Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 PolarHBondContact O-N 2.83Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 2.82Å; Y188-R190 WeakPolarHBondContact O-CD 3.43Å; Y188-R190 VanDerWaalsContact O-CG 3.23Å; Y188-R190 WeakPolarHBondContact O-CG 3.38Å; Y188-R190 PolarHBondContact O-N 3.17Å |
| 189 | T | 92.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 51 Ų | 51 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 27.3 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 116 | C185 L186 K191 | C185-T189 CarbonylContact O-C 3.6Å; C185-T189 WeakPolarHBondContact O-CA 3.28Å; C185-T189 PolarHBondContact O-N 2.71Å; L186-T189 PolarHBondContact O-N 3.23Å; T189-K191 VanDerWaalsContact C-N 3.31Å; T189-K191 PolarHBondContact O-N 3.03Å |
| 190 | R | 94.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | trans | -75.3 | 68.1 | -170.2 | -63.3 | -48 | -60.3 | -164 | -4.2 | 114 | V150 F184 C185 Y188 A192 E193 F194 | V150-R190 HydrophobicContact CG1-CG 4Å; F184-R190 HydrophobicContact CZ-CG 4.44Å; C185-R190 PolarHBondContact O-N 2.72Å; Y188-R190 WeakPolarHBondContact O-CD 3.43Å; Y188-R190 VanDerWaalsContact O-CG 3.23Å; Y188-R190 WeakPolarHBondContact O-CG 3.38Å; Y188-R190 PolarHBondContact O-N 3.17Å; R190-A192 PolarHBondContact O-N 3.35Å; R190-A192 VanDerWaalsContact O-N 3.15Å; R190-E193 HydrophobicContact CB-CB 4.05Å; R190-E193 HydrophobicContact CB-CG 4.37Å; R190-E193 WeakPolarHBondContact CB-OE2 3.31Å; R190-E193 IonicContact CZ-OE1 2.78Å; R190-E193 IonicContact CZ-OE2 3.54Å; R190-E193 IonicContact NE-OE1 3.5Å; R190-E193 IonicContact NE-OE2 2.72Å; R190-E193 PolarHBondContact NE-OE2 2.93Å; R190-E193 IonicContact NH2-OE1 3.79Å; R190-E193 PolarHBondContact NH2-OE1 2.68Å; R190-E193 IonicContact NH2-OE2 2.66Å; R190-E193 PolarHBondContact NH2-OE2 2.97Å; R190-E193 PolarHBondContact O-N 3.42Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.8Å | ||
| 191 | K | 95.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -24.2 | -178.8 | -68.3 | 179.1 | 179.1 | -176.7 | 0 | 114.6 | T189 M243 L245 | T189-K191 VanDerWaalsContact C-N 3.31Å; T189-K191 PolarHBondContact O-N 3.03Å; K191-M243 WeakPolarHBondContact CE-O 3.41Å; K191-M243 HydrophobicContact CG-SD 4.41Å; K191-L245 HydrophobicContact CB-CD1 4.4Å; K191-L245 HydrophobicContact CB-CD2 4.34Å; K191-L245 HydrophobicContact CD-CD2 4.1Å; K191-L245 HydrophobicContact CG-CD1 4.26Å; K191-L245 HydrophobicContact CG-CD2 4.12Å; K191-L245 HydrophobicContact CG-CG 4.48Å |
| 192 | A | 95.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -83.8 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R190 F194 R195 K196 | R190-A192 PolarHBondContact O-N 3.35Å; R190-A192 VanDerWaalsContact O-N 3.15Å; A192-F194 VanDerWaalsContact C-N 3.32Å; A192-R195 PolarHBondContact O-N 2.89Å; A192-K196 PolarHBondContact O-N 3.11Å |
| 193 | E | 96.1 | Very high | 96 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 174.5 | -67.8 | 70.3 | -162 | 0 | 0 | 111.1 | W154 R190 R195 K196 L197 | W154-E193 HydrophobicContact CB-CG 4.27Å; W154-E193 HydrophobicContact CD2-CB 3.74Å; W154-E193 HydrophobicContact CD2-CG 3.71Å; W154-E193 HydrophobicContact CE3-CB 3.86Å; W154-E193 HydrophobicContact CE3-CG 4.31Å; W154-E193 HydrophobicContact CG-CB 4.19Å; W154-E193 HydrophobicContact CG-CG 3.62Å; W154-E193 WeakPolarHBondContact CH2-O 3.28Å; W154-E193 HydrophobicContact CZ2-CB 4.45Å; W154-E193 HydrophobicContact CZ3-CB 4.26Å; R190-E193 HydrophobicContact CB-CB 4.05Å; R190-E193 HydrophobicContact CB-CG 4.37Å; R190-E193 WeakPolarHBondContact CB-OE2 3.31Å; R190-E193 IonicContact CZ-OE1 2.78Å; R190-E193 IonicContact CZ-OE2 3.54Å; R190-E193 IonicContact NE-OE1 3.5Å; R190-E193 IonicContact NE-OE2 2.72Å; R190-E193 PolarHBondContact NE-OE2 2.93Å; R190-E193 IonicContact NH2-OE1 3.79Å; R190-E193 PolarHBondContact NH2-OE1 2.68Å; R190-E193 IonicContact NH2-OE2 2.66Å; R190-E193 PolarHBondContact NH2-OE2 2.97Å; R190-E193 PolarHBondContact O-N 3.42Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.48Å; E193-K196 CarbonylContact O-C 3.57Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.11Å; E193-K196 VanDerWaalsContact O-N 3.15Å; E193-L197 PolarHBondContact O-N 2.93Å |
| 194 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -43.6 | 174.2 | -175.6 | -95.4 | 0 | 0 | 0 | 113.3 | F182 C185 R190 A192 L197 C198 Q236 A240 M243 L245 E248 | F182-F194 AromaticContact CD1-CD2 3.71Å; F182-F194 HydrophobicContact CD1-CD2 3.71Å; F182-F194 AromaticContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CZ 4.3Å; F182-F194 AromaticContact CE1-CD2 3.99Å; F182-F194 HydrophobicContact CE1-CD2 3.99Å; F182-F194 AromaticContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CZ 4.13Å; F182-F194 HydrophobicContact CG-CE2 4.44Å; C185-F194 HydrophobicContact CB-CB 4.16Å; C185-F194 HydrophobicContact CB-CD2 4.02Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.8Å; A192-F194 VanDerWaalsContact C-N 3.32Å; F194-L197 WeakPolarHBondContact O-CB 3.48Å; F194-L197 PolarHBondContact O-N 2.65Å; F194-C198 PolarHBondContact O-N 3.19Å; F194-C198 PolarHBondContact O-SG 3.21Å; F194-Q236 HydrophobicContact CZ-CG 4.28Å; F194-A240 HydrophobicContact CE1-CB 3.93Å; F194-A240 HydrophobicContact CZ-CB 3.76Å; F194-M243 HydrophobicContact CB-CE 4.09Å; F194-M243 HydrophobicContact CD1-CE 4.3Å; F194-M243 HydrophobicContact CD2-CE 3.31Å; F194-M243 HydrophobicContact CE2-CE 3.71Å; F194-M243 HydrophobicContact CG-CE 3.64Å; F194-M243 HydrophobicContact CZ-CE 4.36Å; F194-L245 HydrophobicContact CB-CD1 4.39Å; F194-L245 HydrophobicContact CD1-CD1 3.45Å; F194-L245 VanDerWaalsContact CD1-CD1 3.45Å; F194-L245 HydrophobicContact CE1-CD1 3.96Å; F194-L245 HydrophobicContact CG-CD1 4.08Å; F194-E248 HydrophobicContact CE1-CB 3.92Å; F194-E248 HydrophobicContact CE1-CG 4.38Å |
| 195 | R | 97.3 | Very high | 95.9 | Very high | 125 Ų | 125 | 48.7 Ų | 48.7 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -47 | 176 | -61.8 | -179.8 | -144 | 130.3 | 1.9 | 111 | A192 E193 L197 C198 D199 E248 | A192-R195 PolarHBondContact O-N 2.89Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.48Å; R195-L197 PolarHBondContact O-N 3.38Å; R195-C198 WeakPolarHBondContact O-CB 3.12Å; R195-C198 PolarHBondContact O-N 3.13Å; R195-C198 VanDerWaalsContact O-N 3.15Å; R195-D199 PolarHBondContact O-N 2.92Å; R195-E248 HydrophobicContact CG-CG 4.12Å |
| 196 | K | 97.3 | Very high | 95.8 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -37 | 176 | -64.6 | 174.1 | -178.7 | 175 | 0 | 111.5 | W154 A192 E193 N200 | W154-K196 HydrophobicContact CH2-CB 4.27Å; W154-K196 HydrophobicContact CZ2-CB 3.82Å; A192-K196 PolarHBondContact O-N 3.11Å; E193-K196 CarbonylContact O-C 3.57Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.11Å; E193-K196 VanDerWaalsContact O-N 3.15Å; K196-N200 WeakPolarHBondContact O-CB 3.05Å; K196-N200 PolarHBondContact O-N 3.07Å; K196-N200 PolarHBondContact O-ND2 3.16Å; K196-N200 VanDerWaalsContact O-ND2 3.1Å |
| 197 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -49.5 | 174.7 | -175.6 | 54.4 | 0 | 0 | 0 | 111.5 | W154 L161 A181 F182 E193 F194 R195 D199 N200 L201 | W154-L197 HydrophobicContact CH2-CB 3.74Å; W154-L197 HydrophobicContact CH2-CD1 4.38Å; W154-L197 HydrophobicContact CZ3-CB 3.9Å; W154-L197 HydrophobicContact CZ3-CD1 4.32Å; W154-L197 HydrophobicContact CZ3-CD2 4.42Å; W154-L197 HydrophobicContact CZ3-CG 4.44Å; L161-L197 HydrophobicContact CD1-CD1 3.59Å; A181-L197 HydrophobicContact CB-CD1 4.29Å; A181-L197 HydrophobicContact CB-CD2 3.66Å; F182-L197 HydrophobicContact CD1-CD2 3.4Å; F182-L197 VanDerWaalsContact CD1-CD2 3.4Å; F182-L197 HydrophobicContact CD1-CG 4.21Å; F182-L197 HydrophobicContact CE1-CB 4.41Å; F182-L197 HydrophobicContact CE1-CD2 3.49Å; F182-L197 VanDerWaalsContact CE1-CD2 3.49Å; F182-L197 HydrophobicContact CE1-CG 3.76Å; F182-L197 HydrophobicContact CG-CD2 3.97Å; F182-L197 HydrophobicContact CZ-CD2 4.11Å; F182-L197 HydrophobicContact CZ-CG 4.11Å; E193-L197 PolarHBondContact O-N 2.93Å; F194-L197 WeakPolarHBondContact O-CB 3.48Å; F194-L197 PolarHBondContact O-N 2.65Å; R195-L197 PolarHBondContact O-N 3.38Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 3.37Å; L197-N200 PolarHBondContact O-N 3.35Å; L197-L201 HydrophobicContact CD1-CD1 4.28Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.25Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.31Å |
| 198 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.8 | -46.2 | 175.5 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | F194 R195 L201 R202 Q236 | F194-C198 PolarHBondContact O-N 3.19Å; F194-C198 PolarHBondContact O-SG 3.21Å; R195-C198 WeakPolarHBondContact O-CB 3.12Å; R195-C198 PolarHBondContact O-N 3.13Å; R195-C198 VanDerWaalsContact O-N 3.15Å; C198-L201 PolarHBondContact O-N 3.06Å; C198-R202 VanDerWaalsContact O-CG 3.31Å; C198-R202 WeakPolarHBondContact O-CG 2.97Å; C198-R202 PolarHBondContact O-N 2.91Å; C198-Q236 PolarHBondContact SG-NE2 3.43Å; C198-Q236 VanDerWaalsContact SG-NE2 3.41Å |
| 199 | D | 96.4 | Very high | 95.5 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.7 | -38.2 | -179.2 | -65.4 | -31 | 0 | 0 | 0 | 113 | R195 L197 L201 R202 M203 | R195-D199 PolarHBondContact O-N 2.92Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 3.37Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.14Å; D199-R202 WeakPolarHBondContact O-CB 2.91Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.35Å; D199-R202 IonicContact OD1-NH1 3.96Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; D199-M203 WeakPolarHBondContact O-CB 3.47Å; D199-M203 PolarHBondContact O-N 3.13Å |
| 200 | N | 96.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 170.3 | -74.1 | -29.6 | 0 | 0 | 0 | 111.4 | K196 L197 R202 M203 H204 | K196-N200 WeakPolarHBondContact O-CB 3.05Å; K196-N200 PolarHBondContact O-N 3.07Å; K196-N200 PolarHBondContact O-ND2 3.16Å; K196-N200 VanDerWaalsContact O-ND2 3.1Å; L197-N200 PolarHBondContact O-N 3.35Å; N200-R202 VanDerWaalsContact C-N 3.34Å; N200-R202 PolarHBondContact O-N 3.24Å; N200-M203 PolarHBondContact O-N 3.49Å; N200-H204 PolarHBondContact O-CD2 3.31Å; N200-H204 VanDerWaalsContact O-CG 3.23Å; N200-H204 PolarHBondContact O-N 3.08Å |
| 201 | L | 96.8 | Very high | 95 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -30.7 | 177.2 | -65.7 | 174.6 | 0 | 0 | 0 | 112.4 | Y174 A178 F182 L197 C198 D199 L205 R233 | Y174-L201 HydrophobicContact CE1-CD2 4.37Å; Y174-L201 VanDerWaalsContact OH-CD2 3.22Å; Y174-L201 WeakPolarHBondContact OH-CD2 3.48Å; A178-L201 HydrophobicContact CB-CD2 4.28Å; F182-L201 HydrophobicContact CE2-CD1 3.71Å; F182-L201 HydrophobicContact CZ-CD1 3.44Å; F182-L201 VanDerWaalsContact CZ-CD1 3.44Å; L197-L201 HydrophobicContact CD1-CD1 4.28Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.25Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.31Å; C198-L201 PolarHBondContact O-N 3.06Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.14Å; L201-L205 PolarHBondContact O-N 2.89Å; L201-L205 VanDerWaalsContact O-N 3.11Å; L201-R233 VanDerWaalsContact C-NH2 3.35Å; L201-R233 VanDerWaalsContact CB-NH1 3.34Å; L201-R233 PolarHBondContact O-NH2 3.06Å |
| 202 | R | 96.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -47.6 | 170.6 | -72.7 | 165.7 | -170.6 | 135.6 | 8.4 | 110.9 | C198 D199 N200 H204 L205 G206 E248 D255 | C198-R202 VanDerWaalsContact O-CG 3.31Å; C198-R202 WeakPolarHBondContact O-CG 2.97Å; C198-R202 PolarHBondContact O-N 2.91Å; D199-R202 WeakPolarHBondContact O-CB 2.91Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.35Å; D199-R202 IonicContact OD1-NH1 3.96Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; N200-R202 VanDerWaalsContact C-N 3.34Å; N200-R202 PolarHBondContact O-N 3.24Å; R202-H204 VanDerWaalsContact C-N 3.34Å; R202-H204 PolarHBondContact O-N 2.59Å; R202-L205 PolarHBondContact O-N 2.78Å; R202-G206 PolarHBondContact O-N 3.13Å; R202-E248 IonicContact CZ-OE2 3.61Å; R202-E248 IonicContact NH1-OE2 3.79Å; R202-E248 PolarHBondContact NH1-OE2 2.88Å; R202-E248 IonicContact NH2-OE2 3.98Å; R202-E248 PolarHBondContact NH2-OE2 3.32Å; R202-D255 WeakPolarHBondContact CG-OD1 3.11Å; R202-D255 IonicContact CZ-OD2 3.17Å; R202-D255 IonicContact NE-OD1 3.63Å; R202-D255 PolarHBondContact NE-OD1 2.93Å; R202-D255 IonicContact NE-OD2 2.85Å; R202-D255 PolarHBondContact NE-OD2 2.73Å; R202-D255 IonicContact NH2-OD2 2.68Å; R202-D255 PolarHBondContact NH2-OD2 2.87Å |
| 203 | M | 96.4 | Very high | 93.9 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 174.6 | 177.9 | -178.1 | 63.1 | 0 | 0 | 111.6 | D199 N200 G206 Q207 | D199-M203 WeakPolarHBondContact O-CB 3.47Å; D199-M203 PolarHBondContact O-N 3.13Å; N200-M203 PolarHBondContact O-N 3.49Å; M203-G206 PolarHBondContact O-N 2.85Å; M203-Q207 WeakPolarHBondContact O-CG 3.39Å; M203-Q207 PolarHBondContact O-N 2.75Å |
| 204 | H | 95.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.4 | -67.5 | 174.6 | 0 | 0 | 0 | 112.3 | D162 R165 Y174 N200 R202 G206 Q207 I208 | D162-H204 IonicContact OD1-NE2 3.59Å; R165-H204 VanDerWaalsContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-NE2 3.28Å; R165-H204 PolarHBondContact NH1-NE2 3.23Å; Y174-H204 AromaticContact CE2-ND1 3.67Å; Y174-H204 AromaticContact CZ-ND1 3.73Å; Y174-H204 WeakPolarHBondContact OH-CB 2.92Å; Y174-H204 PolarHBondContact OH-ND1 3.43Å; N200-H204 PolarHBondContact O-CD2 3.31Å; N200-H204 VanDerWaalsContact O-CG 3.23Å; N200-H204 PolarHBondContact O-N 3.08Å; R202-H204 VanDerWaalsContact C-N 3.34Å; R202-H204 PolarHBondContact O-N 2.59Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.48Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 2.99Å; H204-Q207 VanDerWaalsContact O-N 3.1Å; H204-I208 WeakPolarHBondContact O-CG1 3.32Å; H204-I208 PolarHBondContact O-N 3.47Å |
| 205 | L | 94.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 173.9 | -177.4 | 58.6 | 0 | 0 | 0 | 112 | L201 R202 Q207 I208 Q209 L220 L259 | L201-L205 PolarHBondContact O-N 2.89Å; L201-L205 VanDerWaalsContact O-N 3.11Å; R202-L205 PolarHBondContact O-N 2.78Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.44Å; L205-I208 PolarHBondContact O-N 3.21Å; L205-Q209 PolarHBondContact O-N 3.29Å; L205-L220 HydrophobicContact CD1-CD1 4.04Å; L205-L259 HydrophobicContact CD1-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CG 4.06Å; L205-L259 HydrophobicContact CG-CD2 4.43Å |
| 206 | G | 94.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 63.9 Ų | 63.9 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -29 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | R202 M203 H204 R210 | R202-G206 PolarHBondContact O-N 3.13Å; M203-G206 PolarHBondContact O-N 2.85Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.48Å; G206-R210 VanDerWaalsContact O-CG 3.3Å; G206-R210 WeakPolarHBondContact O-CG 3.09Å; G206-R210 PolarHBondContact O-N 2.76Å |
| 207 | Q | 93.1 | Very high | 92 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.6 | -39.7 | 172.1 | -71.6 | 176.1 | 17.8 | 0 | 0 | 112.2 | N166 M203 H204 L205 Q209 R210 H211 | N166-Q207 PolarHBondContact ND2-OE1 3.06Å; M203-Q207 WeakPolarHBondContact O-CG 3.39Å; M203-Q207 PolarHBondContact O-N 2.75Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 2.99Å; H204-Q207 VanDerWaalsContact O-N 3.1Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.44Å; Q207-Q209 VanDerWaalsContact C-N 3.28Å; Q207-Q209 PolarHBondContact O-N 3.11Å; Q207-R210 PolarHBondContact O-N 3.06Å; Q207-H211 WeakPolarHBondContact O-CB 3.01Å; Q207-H211 PolarHBondContact O-CD2 3.07Å; Q207-H211 PolarHBondContact O-N 3.25Å |
| 208 | I | 92.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.7 | -66.6 | 169.5 | 0 | 0 | 0 | 110.7 | N166 H204 L205 R210 I218 L220 | N166-I208 WeakPolarHBondContact OD1-CG1 3.17Å; H204-I208 WeakPolarHBondContact O-CG1 3.32Å; H204-I208 PolarHBondContact O-N 3.47Å; L205-I208 PolarHBondContact O-N 3.21Å; I208-R210 VanDerWaalsContact C-N 3.32Å; I208-R210 PolarHBondContact O-N 3.02Å; I208-I218 HydrophobicContact CD1-CB 4.35Å; I208-I218 HydrophobicContact CD1-CD1 3.93Å; I208-I218 HydrophobicContact CD1-CG2 4.45Å; I208-I218 HydrophobicContact CG1-CB 4.47Å; I208-I218 HydrophobicContact CG1-CD1 4.43Å; I208-I218 HydrophobicContact CG2-CB 4.2Å; I208-I218 HydrophobicContact CG2-CG2 4.41Å; I208-L220 HydrophobicContact CG2-CD1 4.19Å; I208-L220 HydrophobicContact CG2-CD2 4.44Å; I208-L220 HydrophobicContact CG2-CG 4.07Å |
| 209 | Q | 89.6 | Confident | 91.3 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 175.2 | -67.1 | 170.1 | -5.4 | 0 | 0 | 113 | L205 Q207 L262 | L205-Q209 PolarHBondContact O-N 3.29Å; Q207-Q209 VanDerWaalsContact C-N 3.28Å; Q207-Q209 PolarHBondContact O-N 3.11Å; Q209-L262 HydrophobicContact CG-CD2 4.41Å; Q209-L262 VanDerWaalsContact NE2-CD1 3.3Å |
| 210 | R | 90.5 | Very high | 91 | Very high | 203 Ų | 203 | 59.9 Ų | 59.9 | 77% | 0.766 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -84 | -27.2 | -175.4 | -69.3 | 172.8 | -174.5 | -167.3 | 1.8 | 114.1 | G206 Q207 I208 | G206-R210 VanDerWaalsContact O-CG 3.3Å; G206-R210 WeakPolarHBondContact O-CG 3.09Å; G206-R210 PolarHBondContact O-N 2.76Å; Q207-R210 PolarHBondContact O-N 3.06Å; I208-R210 VanDerWaalsContact C-N 3.32Å; I208-R210 PolarHBondContact O-N 3.02Å |
| 211 | H | 87.2 | Confident | 90.6 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | trans | -114.2 | 31.7 | -168.9 | -62.4 | -56.8 | 0 | 0 | 0 | 114.3 | Q207 N213 Q214 A217 | Q207-H211 WeakPolarHBondContact O-CB 3.01Å; Q207-H211 PolarHBondContact O-CD2 3.07Å; Q207-H211 PolarHBondContact O-N 3.25Å; H211-N213 PolarHBondContact O-N 3.47Å; H211-N213 VanDerWaalsContact O-N 3.12Å; H211-Q214 PolarHBondContact O-N 3.04Å; H211-A217 WeakPolarHBondContact O-CB 3.17Å | ||
| 212 | H | 84 | Confident | 90.3 | Very high | 105 Ų | 105 | 63.9 Ų | 63.9 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.4 | 179.6 | -167.8 | 61.8 | 0 | 0 | 0 | 114.6 | Q214 | H212-Q214 VanDerWaalsContact C-N 3.32Å; H212-Q214 PolarHBondContact O-N 3.32Å |
| 213 | N | 84.8 | Confident | 90 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | -178.3 | 65.7 | -20.8 | 0 | 0 | 0 | 114.9 | H211 | H211-N213 PolarHBondContact O-N 3.47Å; H211-N213 VanDerWaalsContact O-N 3.12Å |
| 214 | Q | 85.6 | Confident | 89.7 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -86.8 | 140.8 | 179.6 | -56.8 | -179.2 | 4.5 | 0 | 0 | 111.2 | H211 H212 T216 A217 | H211-Q214 PolarHBondContact O-N 3.04Å; H212-Q214 VanDerWaalsContact C-N 3.32Å; H212-Q214 PolarHBondContact O-N 3.32Å; Q214-T216 PolarHBondContact O-N 3.5Å; Q214-T216 VanDerWaalsContact O-N 3.13Å; Q214-A217 HydrophobicContact CB-CB 4.22Å; Q214-A217 WeakPolarHBondContact O-CB 3.33Å; Q214-A217 PolarHBondContact O-N 3.02Å |
| 215 | S | 83.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 92% | 0.916 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.4 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 216 | T | 87.4 | Confident | 89.4 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 9.7 | 172.9 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | N167 S168 Q214 | N167-T216 WeakPolarHBondContact CA-O 3.43Å; S168-T216 PolarHBondContact N-O 3.47Å; S168-T216 PolarHBondContact OG-O 2.88Å; Q214-T216 PolarHBondContact O-N 3.5Å; Q214-T216 VanDerWaalsContact O-N 3.13Å |
| 217 | A | 90.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -62.6 | 149.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H211 Q214 | H211-A217 WeakPolarHBondContact O-CB 3.17Å; Q214-A217 HydrophobicContact CB-CB 4.22Å; Q214-A217 WeakPolarHBondContact O-CB 3.33Å; Q214-A217 PolarHBondContact O-N 3.02Å | ||
| 218 | I | 92.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | trans | -75.2 | 136.3 | 171.1 | -63.4 | 167.3 | 0 | 0 | 0 | 108.7 | E171 I208 L220 | E171-I218 HydrophobicContact CB-CD1 4.4Å; E171-I218 HydrophobicContact CG-CD1 3.93Å; E171-I218 HydrophobicContact CG-CG1 4.36Å; I208-I218 HydrophobicContact CD1-CB 4.35Å; I208-I218 HydrophobicContact CD1-CD1 3.93Å; I208-I218 HydrophobicContact CD1-CG2 4.45Å; I208-I218 HydrophobicContact CG1-CB 4.47Å; I208-I218 HydrophobicContact CG1-CD1 4.43Å; I208-I218 HydrophobicContact CG2-CB 4.2Å; I208-I218 HydrophobicContact CG2-CG2 4.41Å; I218-L220 HydrophobicContact CG2-CD2 4.45Å | ||
| 219 | N | 89.8 | Confident | 89.5 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | trans | -114.1 | 105.6 | 177.6 | -176.6 | -3.6 | 0 | 0 | 0 | 110.1 | N221 N222 | N219-N221 PolarHBondContact O-N 3.33Å; N219-N221 WeakPolarHBondContact OD1-CB 3.14Å; N219-N221 PolarHBondContact OD1-N 3.4Å; N219-N221 PolarHBondContact OD1-ND2 2.72Å; N219-N222 VanDerWaalsContact O-CB 3.24Å; N219-N222 WeakPolarHBondContact O-CB 3.03Å; N219-N222 PolarHBondContact O-N 3.12Å | ||
| 220 | L | 89.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.9 | -178.9 | -61.4 | 175.1 | 0 | 0 | 0 | 114.3 | L205 I208 I218 N222 | L205-L220 HydrophobicContact CD1-CD1 4.04Å; I208-L220 HydrophobicContact CG2-CD1 4.19Å; I208-L220 HydrophobicContact CG2-CD2 4.44Å; I208-L220 HydrophobicContact CG2-CG 4.07Å; I218-L220 HydrophobicContact CG2-CD2 4.45Å; L220-N222 VanDerWaalsContact C-N 3.27Å |
| 221 | N | 89.3 | Confident | 89.9 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.1 | 170.4 | -57.9 | -88 | 0 | 0 | 0 | 113.2 | N219 K265 | N219-N221 PolarHBondContact O-N 3.33Å; N219-N221 WeakPolarHBondContact OD1-CB 3.14Å; N219-N221 PolarHBondContact OD1-N 3.4Å; N219-N221 PolarHBondContact OD1-ND2 2.72Å; N221-K265 PolarHBondContact O-NZ 2.9Å |
| 222 | N | 90.3 | Very high | 90.3 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -75.6 | 117.2 | 166.2 | 179.4 | 19.5 | 0 | 0 | 0 | 109.1 | N219 L220 E224 S225 Q226 | N219-N222 VanDerWaalsContact O-CB 3.24Å; N219-N222 WeakPolarHBondContact O-CB 3.03Å; N219-N222 PolarHBondContact O-N 3.12Å; L220-N222 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 3.35Å; N222-E224 PolarHBondContact OD1-N 2.74Å; N222-S225 PolarHBondContact ND2-N 3.27Å; N222-S225 PolarHBondContact ND2-OG 3.31Å; N222-S225 PolarHBondContact O-N 2.88Å; N222-Q226 WeakPolarHBondContact O-CB 3.12Å; N222-Q226 PolarHBondContact O-N 3.21Å |
| 223 | P | 89.2 | Confident | 90.9 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -21.4 | 179.9 | 27.1 | -36.1 | 0 | 0 | 0 | 113.3 | S227 | P223-S227 WeakPolarHBondContact O-CB 3.41Å; P223-S227 PolarHBondContact O-N 3.06Å |
| 224 | E | 90.9 | Very high | 91.4 | Very high | 133 Ų | 133 | 39.1 Ų | 39.1 | 62% | 0.621 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -76.1 | -51.1 | 177 | -60.1 | 178.8 | 157.3 | 0 | 0 | 111.6 | N222 Q226 S227 M228 | N222-E224 PolarHBondContact O-N 3.35Å; N222-E224 PolarHBondContact OD1-N 2.74Å; E224-Q226 VanDerWaalsContact C-N 3.28Å; E224-Q226 PolarHBondContact O-N 3.43Å; E224-S227 WeakPolarHBondContact O-CA 3.42Å; E224-S227 WeakPolarHBondContact O-CB 3.46Å; E224-S227 PolarHBondContact O-N 3.36Å; E224-M228 PolarHBondContact O-N 3.33Å |
| 225 | S | 92.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55 | -44.4 | 170.5 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | E171 N222 S227 M228 H229 | E171-S225 VanDerWaalsContact OE1-CA 3.29Å; E171-S225 WeakPolarHBondContact OE1-CA 3.19Å; E171-S225 WeakPolarHBondContact OE1-CB 3.46Å; E171-S225 PolarHBondContact OE1-OG 3.1Å; E171-S225 VanDerWaalsContact OE2-CB 3.29Å; E171-S225 WeakPolarHBondContact OE2-CB 3.39Å; E171-S225 PolarHBondContact OE2-OG 2.85Å; N222-S225 PolarHBondContact ND2-N 3.27Å; N222-S225 PolarHBondContact ND2-OG 3.31Å; N222-S225 PolarHBondContact O-N 2.88Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.09Å; S225-M228 PolarHBondContact O-N 3.02Å; S225-H229 WeakPolarHBondContact O-CB 2.86Å; S225-H229 PolarHBondContact O-CD2 3.24Å; S225-H229 PolarHBondContact O-N 3.43Å |
| 226 | Q | 91.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 174.3 | -170.2 | -174.7 | -5.4 | 0 | 0 | 112.3 | N222 E224 L230 S263 K265 | N222-Q226 WeakPolarHBondContact O-CB 3.12Å; N222-Q226 PolarHBondContact O-N 3.21Å; E224-Q226 VanDerWaalsContact C-N 3.28Å; E224-Q226 PolarHBondContact O-N 3.43Å; Q226-L230 HydrophobicContact CG-CD1 4.13Å; Q226-L230 WeakPolarHBondContact O-CB 3.42Å; Q226-L230 VanDerWaalsContact O-CG 3.28Å; Q226-L230 WeakPolarHBondContact O-CG 3.37Å; Q226-L230 PolarHBondContact O-N 3.26Å; Q226-S263 VanDerWaalsContact CD-OG 3.29Å; Q226-S263 PolarHBondContact NE2-OG 2.98Å; Q226-S263 VanDerWaalsContact OE1-CB 3.31Å; Q226-S263 PolarHBondContact OE1-OG 3.03Å; Q226-K265 PolarHBondContact NE2-O 3.27Å |
| 227 | S | 92.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -53 | 175 | -154.7 | 0 | 0 | 0 | 0 | 110.9 | P223 E224 S225 H229 L230 E231 K268 | P223-S227 WeakPolarHBondContact O-CB 3.41Å; P223-S227 PolarHBondContact O-N 3.06Å; E224-S227 WeakPolarHBondContact O-CA 3.42Å; E224-S227 WeakPolarHBondContact O-CB 3.46Å; E224-S227 PolarHBondContact O-N 3.36Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.09Å; S227-H229 PolarHBondContact O-N 2.85Å; S227-L230 PolarHBondContact O-N 2.84Å; S227-L230 VanDerWaalsContact O-N 3.08Å; S227-E231 WeakPolarHBondContact CB-OE1 3.49Å; S227-E231 WeakPolarHBondContact O-CB 3.01Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.45Å; S227-E231 PolarHBondContact O-N 3.37Å; S227-E231 PolarHBondContact OG-OE1 2.94Å; S227-K268 WeakPolarHBondContact OG-CD 3.38Å; S227-K268 WeakPolarHBondContact OG-CE 3.47Å; S227-K268 PolarHBondContact OG-NZ 3.08Å |
| 228 | M | 94 | Very high | 93.1 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | -178.1 | -58.8 | -177.6 | -70.1 | 0 | 0 | 112.5 | E171 R172 H175 E224 S225 L230 E231 T232 | E171-M228 HydrophobicContact CB-CE 4.34Å; E171-M228 HydrophobicContact CG-CE 3.85Å; R172-M228 HydrophobicContact CB-SD 4.24Å; H175-M228 HydrophobicContact CB-CB 4.3Å; H175-M228 WeakPolarHBondContact CD2-CB 3.46Å; E224-M228 PolarHBondContact O-N 3.33Å; S225-M228 PolarHBondContact O-N 3.02Å; M228-L230 VanDerWaalsContact C-N 3.33Å; M228-L230 PolarHBondContact O-N 3.4Å; M228-E231 PolarHBondContact O-N 3.5Å; M228-T232 PolarHBondContact O-N 3.3Å; M228-T232 PolarHBondContact O-OG1 3.33Å |
| 229 | H | 94.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 171.5 | -91.9 | -76.3 | 0 | 0 | 0 | 113.1 | E171 H175 S225 S227 T232 R233 L259 | E171-H229 IonicContact OE1-CD2 3.37Å; E171-H229 PolarHBondContact OE1-CD2 2.83Å; E171-H229 IonicContact OE1-NE2 2.76Å; H175-H229 AromaticContact CE1-CD2 3.6Å; H175-H229 AromaticContact CE1-CE1 3.7Å; H175-H229 AromaticContact CE1-CG 3.61Å; H175-H229 AromaticContact CE1-ND1 3.67Å; H175-H229 AromaticContact CE1-NE2 3.68Å; H175-H229 AromaticContact NE2-CD2 3.64Å; H175-H229 AromaticContact NE2-NE2 3.87Å; S225-H229 WeakPolarHBondContact O-CB 2.86Å; S225-H229 PolarHBondContact O-CD2 3.24Å; S225-H229 PolarHBondContact O-N 3.43Å; S227-H229 PolarHBondContact O-N 2.85Å; H229-T232 PolarHBondContact O-OG1 2.97Å; H229-T232 VanDerWaalsContact O-OG1 3.07Å; H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 3.45Å; H229-L259 HydrophobicContact CB-CD1 4.36Å; H229-L259 HydrophobicContact CB-CD2 4.4Å |
| 230 | L | 94 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -78.5 | -38.7 | 174.8 | -72.8 | 170 | 0 | 0 | 0 | 112 | Q226 S227 M228 R233 L234 I256 L259 F260 P267 L271 | Q226-L230 HydrophobicContact CG-CD1 4.13Å; Q226-L230 WeakPolarHBondContact O-CB 3.42Å; Q226-L230 VanDerWaalsContact O-CG 3.28Å; Q226-L230 WeakPolarHBondContact O-CG 3.37Å; Q226-L230 PolarHBondContact O-N 3.26Å; S227-L230 PolarHBondContact O-N 2.84Å; S227-L230 VanDerWaalsContact O-N 3.08Å; M228-L230 VanDerWaalsContact C-N 3.33Å; M228-L230 PolarHBondContact O-N 3.4Å; L230-R233 PolarHBondContact O-N 2.92Å; L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; L230-I256 HydrophobicContact CD2-CG2 4.1Å; L230-L259 HydrophobicContact CD2-CB 3.92Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å; L230-F260 HydrophobicContact CD1-CD1 4.24Å; L230-F260 HydrophobicContact CD1-CE1 3.86Å; L230-F260 HydrophobicContact CD2-CD1 3.89Å; L230-F260 HydrophobicContact CD2-CE1 3.52Å; L230-F260 HydrophobicContact CD2-CZ 4.41Å; L230-F260 HydrophobicContact CG-CE1 4.36Å; L230-P267 HydrophobicContact CD1-CB 3.46Å; L230-P267 VanDerWaalsContact CD1-CB 3.46Å; L230-P267 HydrophobicContact CD1-CG 4.13Å; L230-L271 HydrophobicContact CB-CD1 4.33Å |
| 231 | E | 94.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 177 | -73 | 156.6 | -141.1 | 0 | 0 | 111.6 | S227 M228 L234 V235 L271 | S227-E231 WeakPolarHBondContact CB-OE1 3.49Å; S227-E231 WeakPolarHBondContact O-CB 3.01Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.45Å; S227-E231 PolarHBondContact O-N 3.37Å; S227-E231 PolarHBondContact OG-OE1 2.94Å; M228-E231 PolarHBondContact O-N 3.5Å; E231-L234 PolarHBondContact O-N 3.06Å; E231-V235 PolarHBondContact O-N 3.45Å; E231-L271 HydrophobicContact CG-CD1 4.13Å; E231-L271 HydrophobicContact CG-CD2 3.79Å |
| 232 | T | 96 | Very high | 94 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 173.9 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | H175 A178 Q179 M228 H229 L234 V235 Q236 | H175-T232 HydrophobicContact CB-CG2 3.61Å; H175-T232 WeakPolarHBondContact ND1-CG2 3.23Å; H175-T232 WeakPolarHBondContact O-CG2 3.49Å; A178-T232 HydrophobicContact CB-CG2 4.13Å; Q179-T232 HydrophobicContact CG-CG2 4.05Å; M228-T232 PolarHBondContact O-N 3.3Å; M228-T232 PolarHBondContact O-OG1 3.33Å; H229-T232 PolarHBondContact O-OG1 2.97Å; H229-T232 VanDerWaalsContact O-OG1 3.07Å; T232-L234 VanDerWaalsContact C-N 3.34Å; T232-V235 PolarHBondContact O-N 3.39Å; T232-Q236 PolarHBondContact O-N 2.84Å |
| 233 | R | 96.2 | Very high | 94 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.2 | -29.4 | 174.5 | -62.8 | -58.7 | -174.2 | -176.7 | 0.8 | 113.1 | L201 H229 L230 V235 Q236 L237 I256 L259 | L201-R233 VanDerWaalsContact C-NH2 3.35Å; L201-R233 VanDerWaalsContact CB-NH1 3.34Å; L201-R233 PolarHBondContact O-NH2 3.06Å; H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 3.45Å; L230-R233 PolarHBondContact O-N 2.92Å; R233-V235 VanDerWaalsContact C-N 3.34Å; R233-Q236 WeakPolarHBondContact O-CB 3.47Å; R233-Q236 PolarHBondContact O-N 3.22Å; R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 PolarHBondContact O-N 3.41Å; R233-I256 HydrophobicContact CB-CD1 3.97Å; R233-I256 HydrophobicContact CB-CG1 3.46Å; R233-I256 VanDerWaalsContact CB-CG1 3.46Å; R233-I256 HydrophobicContact CG-CG1 4.26Å; R233-L259 HydrophobicContact CG-CD1 3.65Å |
| 234 | L | 95.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -32.3 | 173.7 | -78.2 | 167.9 | 0 | 0 | 0 | 112 | L230 E231 T232 D238 I256 L271 Y275 K278 | L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; E231-L234 PolarHBondContact O-N 3.06Å; T232-L234 VanDerWaalsContact C-N 3.34Å; L234-D238 PolarHBondContact O-N 2.91Å; L234-I256 HydrophobicContact CD2-CD1 4.39Å; L234-L271 HydrophobicContact CD1-CB 4.2Å; L234-L271 HydrophobicContact CD1-CD2 4.1Å; L234-Y275 HydrophobicContact CD2-CD2 4.46Å; L234-K278 HydrophobicContact CD2-CD 3.89Å; L234-K278 PolarHBondContact O-NZ 3.19Å |
| 235 | V | 95.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 19% | 0.188 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.1 | -41.1 | 169.4 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | Q179 F182 E231 T232 R233 L237 D238 S239 | Q179-V235 HydrophobicContact CB-CG1 4.45Å; Q179-V235 HydrophobicContact CG-CB 4.29Å; Q179-V235 HydrophobicContact CG-CG1 4.36Å; Q179-V235 HydrophobicContact CG-CG2 4.1Å; F182-V235 HydrophobicContact CB-CG1 4.07Å; F182-V235 HydrophobicContact CD2-CG1 4.19Å; E231-V235 PolarHBondContact O-N 3.45Å; T232-V235 PolarHBondContact O-N 3.39Å; R233-V235 VanDerWaalsContact C-N 3.34Å; V235-L237 PolarHBondContact O-N 3.19Å; V235-D238 PolarHBondContact O-N 3.29Å; V235-S239 PolarHBondContact O-N 3.09Å; V235-S239 PolarHBondContact O-OG 3.4Å |
| 236 | Q | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.8 | -44.7 | 171.2 | -177.6 | -176.6 | -26.4 | 0 | 0 | 111.4 | F182 F194 C198 T232 R233 A240 A252 D255 | F182-Q236 HydrophobicContact CD2-CB 4.35Å; F182-Q236 HydrophobicContact CE1-CB 4.04Å; F182-Q236 HydrophobicContact CE1-CG 3.83Å; F182-Q236 HydrophobicContact CE2-CB 3.6Å; F182-Q236 HydrophobicContact CE2-CG 4.2Å; F182-Q236 HydrophobicContact CZ-CB 3.4Å; F182-Q236 VanDerWaalsContact CZ-CB 3.4Å; F182-Q236 HydrophobicContact CZ-CG 3.47Å; F182-Q236 VanDerWaalsContact CZ-CG 3.47Å; F194-Q236 HydrophobicContact CZ-CG 4.28Å; C198-Q236 PolarHBondContact SG-NE2 3.43Å; C198-Q236 VanDerWaalsContact SG-NE2 3.41Å; T232-Q236 PolarHBondContact O-N 2.84Å; R233-Q236 WeakPolarHBondContact O-CB 3.47Å; R233-Q236 PolarHBondContact O-N 3.22Å; Q236-A240 VanDerWaalsContact O-CB 3.32Å; Q236-A240 WeakPolarHBondContact O-CB 3.46Å; Q236-A240 PolarHBondContact O-N 2.9Å; Q236-A252 HydrophobicContact CG-CB 4.09Å; Q236-D255 PolarHBondContact NE2-OD2 2.93Å |
| 237 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 178.8 | -177.2 | 57.5 | 0 | 0 | 0 | 112 | R233 V235 A240 I241 A249 A252 V253 I256 K278 V279 V282 | R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 PolarHBondContact O-N 3.41Å; V235-L237 PolarHBondContact O-N 3.19Å; L237-A240 PolarHBondContact O-N 2.92Å; L237-I241 HydrophobicContact CD1-CD1 4.07Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.37Å; L237-A249 HydrophobicContact CD1-CB 3.91Å; L237-A252 HydrophobicContact CD1-CB 4.45Å; L237-V253 HydrophobicContact CD1-CG2 4Å; L237-V253 HydrophobicContact CD2-CG2 4.16Å; L237-I256 HydrophobicContact CD2-CD1 4.26Å; L237-K278 HydrophobicContact CD2-CB 3.78Å; L237-K278 HydrophobicContact CD2-CD 4.26Å; L237-K278 HydrophobicContact CG-CB 4.36Å; L237-V279 HydrophobicContact CD2-CG2 4.2Å; L237-V282 HydrophobicContact CD1-CG2 4.3Å |
| 238 | D | 95 | Very high | 94.5 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.7 | -51.4 | 176.3 | -67.6 | -15.4 | 0 | 0 | 0 | 111.4 | L234 V235 A240 I241 S242 K278 | L234-D238 PolarHBondContact O-N 2.91Å; V235-D238 PolarHBondContact O-N 3.29Å; D238-A240 VanDerWaalsContact C-N 3.26Å; D238-A240 PolarHBondContact O-N 3.47Å; D238-I241 PolarHBondContact O-N 3.19Å; D238-I241 VanDerWaalsContact O-N 3.07Å; D238-S242 PolarHBondContact O-N 3.24Å; D238-S242 PolarHBondContact O-OG 2.98Å; D238-K278 WeakPolarHBondContact OD1-CD 3.41Å; D238-K278 WeakPolarHBondContact OD1-CE 3.16Å; D238-K278 IonicContact OD1-NZ 3.43Å; D238-K278 PolarHBondContact OD1-NZ 3.06Å; D238-K278 IonicContact OD2-NZ 2.78Å; D238-K278 PolarHBondContact OD2-NZ 3.41Å |
| 239 | S | 95.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -32.2 | -180 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V235 M243 | V235-S239 PolarHBondContact O-N 3.09Å; V235-S239 PolarHBondContact O-OG 3.4Å; S239-M243 WeakPolarHBondContact O-CB 3.21Å; S239-M243 VanDerWaalsContact O-CE 3.32Å; S239-M243 WeakPolarHBondContact O-CE 3.27Å; S239-M243 PolarHBondContact O-N 3.44Å |
| 240 | A | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F194 Q236 L237 D238 E244 L245 A249 | F194-A240 HydrophobicContact CE1-CB 3.93Å; F194-A240 HydrophobicContact CZ-CB 3.76Å; Q236-A240 VanDerWaalsContact O-CB 3.32Å; Q236-A240 WeakPolarHBondContact O-CB 3.46Å; Q236-A240 PolarHBondContact O-N 2.9Å; L237-A240 PolarHBondContact O-N 2.92Å; D238-A240 VanDerWaalsContact C-N 3.26Å; D238-A240 PolarHBondContact O-N 3.47Å; A240-E244 PolarHBondContact O-N 3.08Å; A240-L245 PolarHBondContact O-N 3.47Å; A240-A249 HydrophobicContact CB-CB 3.81Å |
| 241 | I | 93.7 | Very high | 94.3 | Very high | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 176.8 | -67.6 | 162.4 | 0 | 0 | 0 | 110.3 | L237 D238 M243 E244 W246 A249 K278 V282 | L237-I241 HydrophobicContact CD1-CD1 4.07Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.37Å; D238-I241 PolarHBondContact O-N 3.19Å; D238-I241 VanDerWaalsContact O-N 3.07Å; I241-M243 VanDerWaalsContact C-N 3.25Å; I241-M243 PolarHBondContact O-N 2.97Å; I241-E244 PolarHBondContact O-N 2.98Å; I241-W246 HydrophobicContact CG1-CZ3 4.24Å; I241-W246 HydrophobicContact CG2-CH2 4.07Å; I241-W246 HydrophobicContact CG2-CZ3 4.19Å; I241-A249 HydrophobicContact CG1-CB 4.37Å; I241-K278 HydrophobicContact CD1-CB 4.44Å; I241-V282 HydrophobicContact CD1-CG2 3.59Å; I241-V282 HydrophobicContact CG1-CG2 3.75Å |
| 242 | S | 93.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.8 | -22.3 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | D238 | D238-S242 PolarHBondContact O-N 3.24Å; D238-S242 PolarHBondContact O-OG 2.98Å |
| 243 | M | 91.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6.8 | 172.1 | -69.5 | -170.6 | -78.8 | 0 | 0 | 113.8 | C185 L186 K191 F194 S239 I241 L245 | C185-M243 HydrophobicContact CB-CE 4.23Å; L186-M243 HydrophobicContact CD1-CG 3.64Å; K191-M243 WeakPolarHBondContact CE-O 3.41Å; K191-M243 HydrophobicContact CG-SD 4.41Å; F194-M243 HydrophobicContact CB-CE 4.09Å; F194-M243 HydrophobicContact CD1-CE 4.3Å; F194-M243 HydrophobicContact CD2-CE 3.31Å; F194-M243 HydrophobicContact CE2-CE 3.71Å; F194-M243 HydrophobicContact CG-CE 3.64Å; F194-M243 HydrophobicContact CZ-CE 4.36Å; S239-M243 WeakPolarHBondContact O-CB 3.21Å; S239-M243 VanDerWaalsContact O-CE 3.32Å; S239-M243 WeakPolarHBondContact O-CE 3.27Å; S239-M243 PolarHBondContact O-N 3.44Å; I241-M243 VanDerWaalsContact C-N 3.25Å; I241-M243 PolarHBondContact O-N 2.97Å; M243-L245 HydrophobicContact CB-CD1 4.15Å; M243-L245 HydrophobicContact CB-CG 3.98Å; M243-L245 HydrophobicContact CE-CD1 4.3Å; M243-L245 PolarHBondContact O-N 2.79Å |
| 244 | E | 93.1 | Very high | 94.1 | Very high | 128 Ų | 128 | 39.6 Ų | 39.6 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 27.7 | -177.2 | -54 | -165.2 | 128.9 | 0 | 0 | 114.4 | A240 I241 W246 | A240-E244 PolarHBondContact O-N 3.08Å; I241-E244 PolarHBondContact O-N 2.98Å; E244-W246 HydrophobicContact CB-CZ2 4.37Å; E244-W246 HydrophobicContact CG-CZ2 4.31Å; E244-W246 PolarHBondContact O-N 3.1Å; E244-W246 PolarHBondContact O-NE1 2.68Å |
| 245 | L | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | trans | -82.9 | 59 | 178.2 | -63.8 | 179.7 | 0 | 0 | 0 | 111 | K191 F194 A240 M243 Q247 E248 A249 | K191-L245 HydrophobicContact CB-CD1 4.4Å; K191-L245 HydrophobicContact CB-CD2 4.34Å; K191-L245 HydrophobicContact CD-CD2 4.1Å; K191-L245 HydrophobicContact CG-CD1 4.26Å; K191-L245 HydrophobicContact CG-CD2 4.12Å; K191-L245 HydrophobicContact CG-CG 4.48Å; F194-L245 HydrophobicContact CB-CD1 4.39Å; F194-L245 HydrophobicContact CD1-CD1 3.45Å; F194-L245 VanDerWaalsContact CD1-CD1 3.45Å; F194-L245 HydrophobicContact CE1-CD1 3.96Å; F194-L245 HydrophobicContact CG-CD1 4.08Å; A240-L245 PolarHBondContact O-N 3.47Å; M243-L245 HydrophobicContact CB-CD1 4.15Å; M243-L245 HydrophobicContact CB-CG 3.98Å; M243-L245 HydrophobicContact CE-CD1 4.3Å; M243-L245 PolarHBondContact O-N 2.79Å; L245-Q247 PolarHBondContact O-N 3.14Å; L245-E248 HydrophobicContact CB-CB 4.36Å; L245-E248 PolarHBondContact O-N 3.38Å; L245-A249 PolarHBondContact O-N 3.3Å | ||
| 246 | W | 92.6 | Very high | 94 | Very high | 84 Ų | 84 | 39 Ų | 39 | 32% | 0.318 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -52.3 | -31.7 | -172.7 | -56.7 | 109.6 | 0 | 0 | 0 | 114.6 | I241 E244 F250 V282 K285 | I241-W246 HydrophobicContact CG1-CZ3 4.24Å; I241-W246 HydrophobicContact CG2-CH2 4.07Å; I241-W246 HydrophobicContact CG2-CZ3 4.19Å; E244-W246 HydrophobicContact CB-CZ2 4.37Å; E244-W246 HydrophobicContact CG-CZ2 4.31Å; E244-W246 PolarHBondContact O-N 3.1Å; E244-W246 PolarHBondContact O-NE1 2.68Å; W246-F250 WeakPolarHBondContact O-CB 3.49Å; W246-F250 PolarHBondContact O-N 3.21Å; W246-V282 HydrophobicContact CZ3-CG2 4.4Å; W246-K285 HydrophobicContact CE3-CB 4.39Å; W246-K285 HydrophobicContact CH2-CB 3.56Å; W246-K285 HydrophobicContact CH2-CD 4.34Å; W246-K285 HydrophobicContact CH2-CG 3.67Å; W246-K285 HydrophobicContact CZ2-CB 3.97Å; W246-K285 HydrophobicContact CZ2-CD 4.5Å; W246-K285 HydrophobicContact CZ2-CG 4.22Å; W246-K285 HydrophobicContact CZ3-CB 3.78Å; W246-K285 HydrophobicContact CZ3-CG 4.23Å |
| 247 | Q | 91.4 | Very high | 93.8 | Very high | 157 Ų | 157 | 41.2 Ų | 41.2 | 73% | 0.734 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69.6 | -40.2 | 174.7 | -65.5 | -176.7 | -0.8 | 0 | 0 | 113.2 | L245 F250 K251 | L245-Q247 PolarHBondContact O-N 3.14Å; Q247-F250 PolarHBondContact O-N 3.39Å; Q247-K251 WeakPolarHBondContact O-CG 3.48Å; Q247-K251 PolarHBondContact O-N 2.68Å |
| 248 | E | 93.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.6 | -30 | 174 | -70.9 | -54 | 135 | 0 | 0 | 111.9 | F194 R195 R202 L245 F250 K251 A252 | F194-E248 HydrophobicContact CE1-CB 3.92Å; F194-E248 HydrophobicContact CE1-CG 4.38Å; R195-E248 HydrophobicContact CG-CG 4.12Å; R202-E248 IonicContact CZ-OE2 3.61Å; R202-E248 IonicContact NH1-OE2 3.79Å; R202-E248 PolarHBondContact NH1-OE2 2.88Å; R202-E248 IonicContact NH2-OE2 3.98Å; R202-E248 PolarHBondContact NH2-OE2 3.32Å; L245-E248 HydrophobicContact CB-CB 4.36Å; L245-E248 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-K251 PolarHBondContact O-N 2.93Å; E248-K251 WeakPolarHBondContact OE1-CD 3.44Å; E248-K251 WeakPolarHBondContact OE1-CE 3.47Å; E248-K251 IonicContact OE1-NZ 2.73Å; E248-K251 PolarHBondContact OE1-NZ 3.44Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.47Å; E248-A252 PolarHBondContact O-N 3.11Å |
| 249 | A | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L237 A240 I241 L245 A252 V253 V282 | L237-A249 HydrophobicContact CD1-CB 3.91Å; A240-A249 HydrophobicContact CB-CB 3.81Å; I241-A249 HydrophobicContact CG1-CB 4.37Å; L245-A249 PolarHBondContact O-N 3.3Å; A249-A252 PolarHBondContact O-N 2.97Å; A249-V253 WeakPolarHBondContact O-CG2 3.25Å; A249-V253 PolarHBondContact O-N 3.3Å; A249-V282 HydrophobicContact CB-CG2 4.46Å |
| 250 | F | 91.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -49.9 | 174.3 | -178.1 | -103.5 | 0 | 0 | 0 | 112.3 | W246 Q247 E248 A252 V253 E254 L355 L358 | W246-F250 WeakPolarHBondContact O-CB 3.49Å; W246-F250 PolarHBondContact O-N 3.21Å; Q247-F250 PolarHBondContact O-N 3.39Å; E248-F250 VanDerWaalsContact C-N 3.33Å; F250-A252 VanDerWaalsContact C-N 3.26Å; F250-A252 PolarHBondContact O-N 3.06Å; F250-V253 WeakPolarHBondContact O-CA 3.26Å; F250-V253 WeakPolarHBondContact O-CB 3.45Å; F250-V253 PolarHBondContact O-N 3.06Å; F250-E254 HydrophobicContact CD1-CG 4.4Å; F250-E254 VanDerWaalsContact CE1-CD 3.4Å; F250-E254 HydrophobicContact CE1-CG 3.92Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.01Å; F250-E254 HydrophobicContact CZ-CG 4.03Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.43Å; F250-E254 PolarHBondContact O-N 3Å; F250-L355 HydrophobicContact CD2-CD2 4.49Å; F250-L355 HydrophobicContact CE2-CD2 3.56Å; F250-L355 HydrophobicContact CZ-CD2 4.21Å; F250-L358 HydrophobicContact CE2-CD1 3.62Å; F250-L358 HydrophobicContact CZ-CD1 3.64Å |
| 251 | K | 94.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.7 | -35.2 | 175.5 | -66.6 | 174.2 | -169.6 | 171.6 | 0 | 112.5 | Q247 E248 V253 E254 D255 | Q247-K251 WeakPolarHBondContact O-CG 3.48Å; Q247-K251 PolarHBondContact O-N 2.68Å; E248-K251 PolarHBondContact O-N 2.93Å; E248-K251 WeakPolarHBondContact OE1-CD 3.44Å; E248-K251 WeakPolarHBondContact OE1-CE 3.47Å; E248-K251 IonicContact OE1-NZ 2.73Å; E248-K251 PolarHBondContact OE1-NZ 3.44Å; K251-V253 VanDerWaalsContact C-N 3.32Å; K251-V253 PolarHBondContact O-N 3.33Å; K251-E254 CarbonylContact O-C 3.59Å; K251-E254 PolarHBondContact O-N 3.05Å; K251-D255 VanDerWaalsContact O-CG 3.25Å; K251-D255 PolarHBondContact O-N 3.13Å |
| 252 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q236 L237 E248 A249 F250 D255 I256 | Q236-A252 HydrophobicContact CG-CB 4.09Å; L237-A252 HydrophobicContact CD1-CB 4.45Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.47Å; E248-A252 PolarHBondContact O-N 3.11Å; A249-A252 PolarHBondContact O-N 2.97Å; F250-A252 VanDerWaalsContact C-N 3.26Å; F250-A252 PolarHBondContact O-N 3.06Å; A252-D255 PolarHBondContact O-N 3.35Å; A252-I256 WeakPolarHBondContact O-CD1 3.12Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 2.86Å |
| 253 | V | 93.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 170.3 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L237 A249 F250 K251 I256 H257 Y275 V279 | L237-V253 HydrophobicContact CD1-CG2 4Å; L237-V253 HydrophobicContact CD2-CG2 4.16Å; A249-V253 WeakPolarHBondContact O-CG2 3.25Å; A249-V253 PolarHBondContact O-N 3.3Å; F250-V253 WeakPolarHBondContact O-CA 3.26Å; F250-V253 WeakPolarHBondContact O-CB 3.45Å; F250-V253 PolarHBondContact O-N 3.06Å; K251-V253 VanDerWaalsContact C-N 3.32Å; K251-V253 PolarHBondContact O-N 3.33Å; V253-I256 PolarHBondContact O-N 2.89Å; V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.46Å; V253-Y275 HydrophobicContact CG1-CE2 4.35Å; V253-V279 HydrophobicContact CG1-CG2 4.41Å; V253-V279 HydrophobicContact CG2-CG2 3.71Å |
| 254 | E | 92.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 172.4 | -53.6 | -160.8 | 120.7 | 0 | 0 | 112 | F250 K251 I256 H257 G258 R354 L358 | F250-E254 HydrophobicContact CD1-CG 4.4Å; F250-E254 VanDerWaalsContact CE1-CD 3.4Å; F250-E254 HydrophobicContact CE1-CG 3.92Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.01Å; F250-E254 HydrophobicContact CZ-CG 4.03Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.43Å; F250-E254 PolarHBondContact O-N 3Å; K251-E254 CarbonylContact O-C 3.59Å; K251-E254 PolarHBondContact O-N 3.05Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 2.75Å; E254-H257 PolarHBondContact O-N 3.33Å; E254-G258 PolarHBondContact O-N 2.95Å; E254-R354 IonicContact OE1-CZ 2.8Å; E254-R354 IonicContact OE1-NE 2.65Å; E254-R354 PolarHBondContact OE1-NE 2.82Å; E254-R354 IonicContact OE1-NH2 3.12Å; E254-R354 PolarHBondContact OE1-NH2 3.28Å; E254-R354 IonicContact OE2-CZ 2.82Å; E254-R354 IonicContact OE2-NH2 3.56Å; E254-R354 PolarHBondContact OE2-NH2 2.82Å; E254-L358 HydrophobicContact CB-CD2 4.29Å; E254-L358 HydrophobicContact CG-CD1 3.87Å; E254-L358 HydrophobicContact CG-CD2 3.91Å |
| 255 | D | 94.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 173.7 | -69 | -46.5 | 0 | 0 | 0 | 111.4 | R202 Q236 K251 A252 L259 | R202-D255 WeakPolarHBondContact CG-OD1 3.11Å; R202-D255 IonicContact CZ-OD2 3.17Å; R202-D255 IonicContact NE-OD1 3.63Å; R202-D255 PolarHBondContact NE-OD1 2.93Å; R202-D255 IonicContact NE-OD2 2.85Å; R202-D255 PolarHBondContact NE-OD2 2.73Å; R202-D255 IonicContact NH2-OD2 2.68Å; R202-D255 PolarHBondContact NH2-OD2 2.87Å; Q236-D255 PolarHBondContact NE2-OD2 2.93Å; K251-D255 VanDerWaalsContact O-CG 3.25Å; K251-D255 PolarHBondContact O-N 3.13Å; A252-D255 PolarHBondContact O-N 3.35Å; D255-L259 WeakPolarHBondContact O-CG 3.41Å; D255-L259 PolarHBondContact O-N 3.14Å; D255-L259 VanDerWaalsContact O-N 3.08Å |
| 256 | I | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 177.2 | -69.2 | 163.8 | 0 | 0 | 0 | 111.5 | L230 R233 L234 L237 A252 V253 E254 G258 L259 F260 Y275 | L230-I256 HydrophobicContact CD2-CG2 4.1Å; R233-I256 HydrophobicContact CB-CD1 3.97Å; R233-I256 HydrophobicContact CB-CG1 3.46Å; R233-I256 VanDerWaalsContact CB-CG1 3.46Å; R233-I256 HydrophobicContact CG-CG1 4.26Å; L234-I256 HydrophobicContact CD2-CD1 4.39Å; L237-I256 HydrophobicContact CD2-CD1 4.26Å; A252-I256 WeakPolarHBondContact O-CD1 3.12Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 2.86Å; V253-I256 PolarHBondContact O-N 2.89Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 2.75Å; I256-G258 VanDerWaalsContact C-N 3.29Å; I256-G258 PolarHBondContact O-N 3.48Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.15Å; I256-L259 VanDerWaalsContact O-N 3.12Å; I256-F260 HydrophobicContact CG2-CD2 4.35Å; I256-F260 HydrophobicContact CG2-CE1 3.99Å; I256-F260 HydrophobicContact CG2-CE2 3.72Å; I256-F260 HydrophobicContact CG2-CZ 3.5Å; I256-F260 PolarHBondContact O-N 2.87Å; I256-Y275 HydrophobicContact CB-CD2 4.37Å; I256-Y275 HydrophobicContact CB-CE2 3.93Å; I256-Y275 HydrophobicContact CD1-CD2 3.92Å; I256-Y275 HydrophobicContact CD1-CE2 4.04Å; I256-Y275 HydrophobicContact CG2-CD2 3.65Å; I256-Y275 HydrophobicContact CG2-CE2 3.47Å; I256-Y275 VanDerWaalsContact CG2-CE2 3.47Å; I256-Y275 HydrophobicContact CG2-CG 4.37Å |
| 257 | H | 92.1 | Very high | 90.8 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.3 | -176.4 | 91.2 | 0 | 0 | 0 | 111.2 | V253 E254 L259 F260 A261 T357 L358 | V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.46Å; E254-H257 PolarHBondContact O-N 3.33Å; H257-L259 PolarHBondContact O-N 3.41Å; H257-F260 WeakPolarHBondContact O-CB 3.21Å; H257-F260 PolarHBondContact O-N 3.06Å; H257-F260 VanDerWaalsContact O-N 3.17Å; H257-A261 PolarHBondContact O-N 3.08Å; H257-A261 VanDerWaalsContact O-N 3.07Å; H257-T357 PolarHBondContact CE1-O 2.88Å; H257-L358 HydrophobicContact CB-CD2 3.75Å; H257-L358 WeakPolarHBondContact ND1-CA 3.42Å; H257-L358 PolarHBondContact ND1-O 3.26Å |
| 258 | G | 91.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E254 I256 F260 A261 L262 | E254-G258 PolarHBondContact O-N 2.95Å; I256-G258 VanDerWaalsContact C-N 3.29Å; I256-G258 PolarHBondContact O-N 3.48Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.18Å; G258-A261 PolarHBondContact O-N 3.41Å; G258-A261 VanDerWaalsContact O-N 3.17Å; G258-L262 WeakPolarHBondContact O-CB 3.38Å; G258-L262 WeakPolarHBondContact O-CD1 3.39Å; G258-L262 WeakPolarHBondContact O-CG 3.27Å; G258-L262 PolarHBondContact O-N 3.32Å |
| 259 | L | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | 174.7 | -76.9 | 171.2 | 0 | 0 | 0 | 113.7 | L205 H229 L230 R233 D255 I256 H257 L262 | L205-L259 HydrophobicContact CD1-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CG 4.06Å; L205-L259 HydrophobicContact CG-CD2 4.43Å; H229-L259 HydrophobicContact CB-CD1 4.36Å; H229-L259 HydrophobicContact CB-CD2 4.4Å; L230-L259 HydrophobicContact CD2-CB 3.92Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å; R233-L259 HydrophobicContact CG-CD1 3.65Å; D255-L259 WeakPolarHBondContact O-CG 3.41Å; D255-L259 PolarHBondContact O-N 3.14Å; D255-L259 VanDerWaalsContact O-N 3.08Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.15Å; I256-L259 VanDerWaalsContact O-N 3.12Å; H257-L259 PolarHBondContact O-N 3.41Å; L259-L262 HydrophobicContact CD2-CD1 4.47Å |
| 260 | F | 90.7 | Very high | 90.2 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 171.4 | -62.1 | -27.3 | 0 | 0 | 0 | 111.9 | L230 I256 H257 G258 P267 M272 Y275 | L230-F260 HydrophobicContact CD1-CD1 4.24Å; L230-F260 HydrophobicContact CD1-CE1 3.86Å; L230-F260 HydrophobicContact CD2-CD1 3.89Å; L230-F260 HydrophobicContact CD2-CE1 3.52Å; L230-F260 HydrophobicContact CD2-CZ 4.41Å; L230-F260 HydrophobicContact CG-CE1 4.36Å; I256-F260 HydrophobicContact CG2-CD2 4.35Å; I256-F260 HydrophobicContact CG2-CE1 3.99Å; I256-F260 HydrophobicContact CG2-CE2 3.72Å; I256-F260 HydrophobicContact CG2-CZ 3.5Å; I256-F260 PolarHBondContact O-N 2.87Å; H257-F260 WeakPolarHBondContact O-CB 3.21Å; H257-F260 PolarHBondContact O-N 3.06Å; H257-F260 VanDerWaalsContact O-N 3.17Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.18Å; F260-P267 HydrophobicContact CD1-CG 3.83Å; F260-P267 HydrophobicContact CE1-CG 3.75Å; F260-M272 HydrophobicContact CD1-CE 4.07Å; F260-M272 HydrophobicContact CD2-CE 3.98Å; F260-M272 HydrophobicContact CE1-CE 3.97Å; F260-M272 HydrophobicContact CE1-CG 4.22Å; F260-M272 HydrophobicContact CE2-CE 3.88Å; F260-M272 HydrophobicContact CG-CE 4.08Å; F260-M272 HydrophobicContact CZ-CE 3.88Å; F260-M272 HydrophobicContact CZ-CG 3.9Å; F260-Y275 AromaticContact CE2-CD1 3.99Å; F260-Y275 HydrophobicContact CE2-CD1 3.99Å; F260-Y275 AromaticContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CZ-CD1 4.18Å; F260-Y275 HydrophobicContact CZ-CE1 4.4Å; F260-Y275 HydrophobicContact CZ-CG 4.34Å |
| 261 | A | 89.6 | Confident | 90.1 | Very high | 80 Ų | 80 | 55 Ų | 55 | 66% | 0.661 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.7 | -27 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H257 G258 | H257-A261 PolarHBondContact O-N 3.08Å; H257-A261 VanDerWaalsContact O-N 3.07Å; G258-A261 PolarHBondContact O-N 3.41Å; G258-A261 VanDerWaalsContact O-N 3.17Å |
| 262 | L | 88.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.9 | -22 | -179.1 | -75.1 | 164.6 | 0 | 0 | 0 | 114.2 | Q209 G258 L259 | Q209-L262 HydrophobicContact CG-CD2 4.41Å; Q209-L262 VanDerWaalsContact NE2-CD1 3.3Å; G258-L262 WeakPolarHBondContact O-CB 3.38Å; G258-L262 WeakPolarHBondContact O-CD1 3.39Å; G258-L262 WeakPolarHBondContact O-CG 3.27Å; G258-L262 PolarHBondContact O-N 3.32Å; L259-L262 HydrophobicContact CD2-CD1 4.47Å |
| 263 | S | 83.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | trans | -102.6 | 138.7 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | Q226 K265 | Q226-S263 VanDerWaalsContact CD-OG 3.29Å; Q226-S263 PolarHBondContact NE2-OG 2.98Å; Q226-S263 VanDerWaalsContact OE1-CB 3.31Å; Q226-S263 PolarHBondContact OE1-OG 3.03Å; S263-K265 PolarHBondContact O-N 3.12Å; S263-K265 PolarHBondContact OG-N 3.44Å; S263-K265 VanDerWaalsContact OG-N 3.17Å; S263-K265 PolarHBondContact OG-O 2.83Å | ||
| 264 | K | 83.6 | Confident | 89.5 | Confident | 197 Ų | 197 | 56.3 Ų | 56.3 | 86% | 0.857 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -80.2 | -4.2 | 172.7 | -63.2 | -177 | 179.7 | -179.6 | 0 | 113.4 | ||
| 265 | K | 86.7 | Confident | 89.6 | Confident | 103 Ų | 103 | 54 Ų | 54 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -106.7 | 135.3 | 179.7 | -69.2 | 175.8 | -178.2 | 164.7 | 0 | 110.3 | N221 Q226 S263 | N221-K265 PolarHBondContact O-NZ 2.9Å; Q226-K265 PolarHBondContact NE2-O 3.27Å; S263-K265 PolarHBondContact O-N 3.12Å; S263-K265 PolarHBondContact OG-N 3.44Å; S263-K265 VanDerWaalsContact OG-N 3.17Å; S263-K265 PolarHBondContact OG-O 2.83Å |
| 266 | P | 84.2 | Confident | 89.5 | Confident | 119 Ų | 119 | 54 Ų | 54 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -62 | 133.5 | 170.2 | 27.7 | -33.4 | 0 | 0 | 0 | 109.3 | ||
| 267 | P | 87.6 | Confident | 89.4 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 169.9 | 177.6 | 32.3 | -36.2 | 0 | 0 | 0 | 111.4 | L230 F260 P269 M272 | L230-P267 HydrophobicContact CD1-CB 3.46Å; L230-P267 VanDerWaalsContact CD1-CB 3.46Å; L230-P267 HydrophobicContact CD1-CG 4.13Å; F260-P267 HydrophobicContact CD1-CG 3.83Å; F260-P267 HydrophobicContact CE1-CG 3.75Å; P267-P269 WeakPolarHBondContact O-CD 3.49Å; P267-M272 HydrophobicContact CG-CE 3.61Å; P267-M272 HydrophobicContact CG-CG 3.93Å; P267-M272 HydrophobicContact CG-SD 3.77Å |
| 268 | K | 88.5 | Confident | 89.4 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 122.2 | 179 | -64 | 174.3 | -176.4 | 166.9 | 0 | 110.7 | S227 Q270 L271 M272 | S227-K268 WeakPolarHBondContact OG-CD 3.38Å; S227-K268 WeakPolarHBondContact OG-CE 3.47Å; S227-K268 PolarHBondContact OG-NZ 3.08Å; K268-Q270 PolarHBondContact O-N 2.82Å; K268-Q270 VanDerWaalsContact O-N 3.11Å; K268-L271 HydrophobicContact CB-CD1 4.28Å; K268-L271 HydrophobicContact CB-CG 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.37Å; K268-L271 WeakPolarHBondContact O-CB 3.14Å; K268-L271 PolarHBondContact O-N 3.47Å; K268-M272 PolarHBondContact O-N 3.38Å |
| 269 | P | 89.4 | Confident | 89.5 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.2 | -34.1 | -177.7 | -32.4 | 38.3 | 0 | 0 | 0 | 114.9 | P267 L271 M272 A273 L302 M306 | P267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-L271 VanDerWaalsContact C-N 3.3Å; P269-L271 PolarHBondContact O-N 3.2Å; P269-M272 CarbonylContact O-C 3.52Å; P269-M272 PolarHBondContact O-N 3.38Å; P269-M272 VanDerWaalsContact O-N 3.15Å; P269-A273 PolarHBondContact O-N 2.81Å; P269-L302 HydrophobicContact CB-CD1 4.07Å; P269-M306 HydrophobicContact CB-CB 4.14Å; P269-M306 HydrophobicContact CB-CG 3.99Å; P269-M306 HydrophobicContact CB-SD 3.77Å |
| 270 | Q | 89.3 | Confident | 89.6 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.1 | -31.6 | 176.9 | -172.3 | 62.4 | 72 | 0 | 0 | 112.9 | K268 N274 M306 | K268-Q270 PolarHBondContact O-N 2.82Å; K268-Q270 VanDerWaalsContact O-N 3.11Å; Q270-N274 PolarHBondContact NE2-OD1 2.76Å; Q270-N274 PolarHBondContact O-N 3.31Å; Q270-N274 VanDerWaalsContact O-N 3.08Å; Q270-N274 PolarHBondContact O-OD1 3.2Å; Q270-M306 HydrophobicContact CB-SD 3.9Å; Q270-M306 PolarHBondContact N-SD 2.86Å; Q270-M306 VanDerWaalsContact N-SD 3.42Å |
| 271 | L | 89.6 | Confident | 89.6 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.7 | -37.6 | 173.4 | -64.5 | 179.8 | 0 | 0 | 0 | 111.4 | L230 E231 L234 K268 P269 N274 Y275 | L230-L271 HydrophobicContact CB-CD1 4.33Å; E231-L271 HydrophobicContact CG-CD1 4.13Å; E231-L271 HydrophobicContact CG-CD2 3.79Å; L234-L271 HydrophobicContact CD1-CB 4.2Å; L234-L271 HydrophobicContact CD1-CD2 4.1Å; K268-L271 HydrophobicContact CB-CD1 4.28Å; K268-L271 HydrophobicContact CB-CG 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.37Å; K268-L271 WeakPolarHBondContact O-CB 3.14Å; K268-L271 PolarHBondContact O-N 3.47Å; P269-L271 VanDerWaalsContact C-N 3.3Å; P269-L271 PolarHBondContact O-N 3.2Å; L271-N274 PolarHBondContact O-N 3.32Å; L271-Y275 WeakPolarHBondContact O-CB 3.18Å; L271-Y275 PolarHBondContact O-N 3.02Å |
| 272 | M | 89.8 | Confident | 89.7 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -34 | 172.7 | -82.1 | -178.8 | 148.8 | 0 | 0 | 112.6 | F260 P267 K268 P269 Y275 Y276 L302 | F260-M272 HydrophobicContact CD1-CE 4.07Å; F260-M272 HydrophobicContact CD2-CE 3.98Å; F260-M272 HydrophobicContact CE1-CE 3.97Å; F260-M272 HydrophobicContact CE1-CG 4.22Å; F260-M272 HydrophobicContact CE2-CE 3.88Å; F260-M272 HydrophobicContact CG-CE 4.08Å; F260-M272 HydrophobicContact CZ-CE 3.88Å; F260-M272 HydrophobicContact CZ-CG 3.9Å; P267-M272 HydrophobicContact CG-CE 3.61Å; P267-M272 HydrophobicContact CG-CG 3.93Å; P267-M272 HydrophobicContact CG-SD 3.77Å; K268-M272 PolarHBondContact O-N 3.38Å; P269-M272 CarbonylContact O-C 3.52Å; P269-M272 PolarHBondContact O-N 3.38Å; P269-M272 VanDerWaalsContact O-N 3.15Å; M272-Y275 WeakPolarHBondContact O-CB 3.09Å; M272-Y275 PolarHBondContact O-N 2.86Å; M272-Y276 HydrophobicContact CB-CE2 4.35Å; M272-Y276 WeakPolarHBondContact O-CD2 3.29Å; M272-Y276 PolarHBondContact O-N 2.71Å; M272-L302 HydrophobicContact CB-CD2 3.5Å |
| 273 | A | 90.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P269 Y275 Y276 N277 L299 L302 M306 | P269-A273 PolarHBondContact O-N 2.81Å; A273-Y275 VanDerWaalsContact C-N 3.31Å; A273-Y275 PolarHBondContact O-N 3.07Å; A273-Y276 PolarHBondContact O-N 3.23Å; A273-N277 WeakPolarHBondContact O-CB 3.45Å; A273-N277 PolarHBondContact O-N 3.16Å; A273-L299 HydrophobicContact CB-CD1 3.82Å; A273-L299 WeakPolarHBondContact O-CD1 3.47Å; A273-L302 HydrophobicContact CB-CD2 4.2Å; A273-M306 HydrophobicContact CB-CE 4.36Å |
| 274 | N | 90.8 | Very high | 90.2 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 174.8 | -66.5 | 11.2 | 0 | 0 | 0 | 111.6 | Q270 L271 K278 | Q270-N274 PolarHBondContact NE2-OD1 2.76Å; Q270-N274 PolarHBondContact O-N 3.31Å; Q270-N274 VanDerWaalsContact O-N 3.08Å; Q270-N274 PolarHBondContact O-OD1 3.2Å; L271-N274 PolarHBondContact O-N 3.32Å; N274-K278 WeakPolarHBondContact O-CD 3.27Å; N274-K278 VanDerWaalsContact O-CG 3.24Å; N274-K278 WeakPolarHBondContact O-CG 3.36Å; N274-K278 PolarHBondContact O-N 3.28Å |
| 275 | Y | 93.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -58.2 | 172 | 170.4 | -109.8 | 0 | 0 | 0 | 111.9 | L234 V253 I256 F260 L271 M272 A273 N277 K278 V279 | L234-Y275 HydrophobicContact CD2-CD2 4.46Å; V253-Y275 HydrophobicContact CG1-CE2 4.35Å; I256-Y275 HydrophobicContact CB-CD2 4.37Å; I256-Y275 HydrophobicContact CB-CE2 3.93Å; I256-Y275 HydrophobicContact CD1-CD2 3.92Å; I256-Y275 HydrophobicContact CD1-CE2 4.04Å; I256-Y275 HydrophobicContact CG2-CD2 3.65Å; I256-Y275 HydrophobicContact CG2-CE2 3.47Å; I256-Y275 VanDerWaalsContact CG2-CE2 3.47Å; I256-Y275 HydrophobicContact CG2-CG 4.37Å; F260-Y275 AromaticContact CE2-CD1 3.99Å; F260-Y275 HydrophobicContact CE2-CD1 3.99Å; F260-Y275 AromaticContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CZ-CD1 4.18Å; F260-Y275 HydrophobicContact CZ-CE1 4.4Å; F260-Y275 HydrophobicContact CZ-CG 4.34Å; L271-Y275 WeakPolarHBondContact O-CB 3.18Å; L271-Y275 PolarHBondContact O-N 3.02Å; M272-Y275 WeakPolarHBondContact O-CB 3.09Å; M272-Y275 PolarHBondContact O-N 2.86Å; A273-Y275 VanDerWaalsContact C-N 3.31Å; A273-Y275 PolarHBondContact O-N 3.07Å; Y275-N277 VanDerWaalsContact C-N 3.26Å; Y275-N277 PolarHBondContact O-N 3.48Å; Y275-K278 PolarHBondContact O-N 3.23Å; Y275-K278 VanDerWaalsContact O-N 3.13Å; Y275-V279 HydrophobicContact CD2-CG2 3.72Å; Y275-V279 HydrophobicContact CE1-CG2 4.36Å; Y275-V279 HydrophobicContact CE2-CG2 3.49Å; Y275-V279 VanDerWaalsContact CE2-CG2 3.49Å; Y275-V279 HydrophobicContact CG-CG2 4.27Å; Y275-V279 WeakPolarHBondContact O-CG2 2.82Å; Y275-V279 PolarHBondContact O-N 2.85Å |
| 276 | Y | 93.7 | Very high | 90.5 | Very high | 28 Ų | 28 | 47 Ų | 47 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -32.3 | -176.7 | -69.7 | -55.5 | 0 | 0 | 0 | 112.9 | M272 A273 S280 R298 L302 | M272-Y276 HydrophobicContact CB-CE2 4.35Å; M272-Y276 WeakPolarHBondContact O-CD2 3.29Å; M272-Y276 PolarHBondContact O-N 2.71Å; A273-Y276 PolarHBondContact O-N 3.23Å; Y276-S280 WeakPolarHBondContact O-CB 3.03Å; Y276-S280 PolarHBondContact O-N 3.15Å; Y276-R298 HydrophobicContact CD1-CB 4.15Å; Y276-R298 HydrophobicContact CD2-CB 4.27Å; Y276-R298 HydrophobicContact CE1-CB 4.07Å; Y276-R298 HydrophobicContact CE1-CG 4.38Å; Y276-R298 HydrophobicContact CE2-CB 4.2Å; Y276-R298 HydrophobicContact CG-CB 4.26Å; Y276-L302 HydrophobicContact CD2-CD2 3.95Å; Y276-L302 HydrophobicContact CE2-CD2 4.05Å |
| 277 | N | 91.9 | Very high | 90.6 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -51.8 | 173 | -167.6 | 9.5 | 0 | 0 | 0 | 111.5 | A273 Y275 V279 S280 T281 L299 | A273-N277 WeakPolarHBondContact O-CB 3.45Å; A273-N277 PolarHBondContact O-N 3.16Å; Y275-N277 VanDerWaalsContact C-N 3.26Å; Y275-N277 PolarHBondContact O-N 3.48Å; N277-V279 PolarHBondContact O-N 3.1Å; N277-S280 WeakPolarHBondContact O-CB 3.4Å; N277-S280 PolarHBondContact O-N 2.92Å; N277-S280 VanDerWaalsContact O-N 3.14Å; N277-S280 PolarHBondContact O-OG 3.46Å; N277-T281 PolarHBondContact O-N 3.22Å; N277-L299 HydrophobicContact CB-CD2 4.23Å |
| 278 | K | 92.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.7 | -64.7 | 164.4 | -177.1 | -150.3 | 0 | 112.8 | L234 L237 D238 I241 N274 Y275 S280 T281 V282 | L234-K278 HydrophobicContact CD2-CD 3.89Å; L234-K278 PolarHBondContact O-NZ 3.19Å; L237-K278 HydrophobicContact CD2-CB 3.78Å; L237-K278 HydrophobicContact CD2-CD 4.26Å; L237-K278 HydrophobicContact CG-CB 4.36Å; D238-K278 WeakPolarHBondContact OD1-CD 3.41Å; D238-K278 WeakPolarHBondContact OD1-CE 3.16Å; D238-K278 IonicContact OD1-NZ 3.43Å; D238-K278 PolarHBondContact OD1-NZ 3.06Å; D238-K278 IonicContact OD2-NZ 2.78Å; D238-K278 PolarHBondContact OD2-NZ 3.41Å; I241-K278 HydrophobicContact CD1-CB 4.44Å; N274-K278 WeakPolarHBondContact O-CD 3.27Å; N274-K278 VanDerWaalsContact O-CG 3.24Å; N274-K278 WeakPolarHBondContact O-CG 3.36Å; N274-K278 PolarHBondContact O-N 3.28Å; Y275-K278 PolarHBondContact O-N 3.23Å; Y275-K278 VanDerWaalsContact O-N 3.13Å; K278-S280 VanDerWaalsContact C-N 3.25Å; K278-S280 PolarHBondContact O-N 2.75Å; K278-T281 PolarHBondContact O-N 3.29Å; K278-T281 PolarHBondContact O-OG1 3.5Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.22Å; K278-V282 VanDerWaalsContact O-N 3.09Å |
| 279 | V | 93.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -30.1 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | L237 V253 Y275 N277 V282 F283 T295 | L237-V279 HydrophobicContact CD2-CG2 4.2Å; V253-V279 HydrophobicContact CG1-CG2 4.41Å; V253-V279 HydrophobicContact CG2-CG2 3.71Å; Y275-V279 HydrophobicContact CD2-CG2 3.72Å; Y275-V279 HydrophobicContact CE1-CG2 4.36Å; Y275-V279 HydrophobicContact CE2-CG2 3.49Å; Y275-V279 VanDerWaalsContact CE2-CG2 3.49Å; Y275-V279 HydrophobicContact CG-CG2 4.27Å; Y275-V279 WeakPolarHBondContact O-CG2 2.82Å; Y275-V279 PolarHBondContact O-N 2.85Å; N277-V279 PolarHBondContact O-N 3.1Å; V279-V282 PolarHBondContact O-N 3.11Å; V279-F283 HydrophobicContact CG1-CD2 3.71Å; V279-F283 HydrophobicContact CG1-CE2 3.31Å; V279-F283 HydrophobicContact CG1-CZ 4.07Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.22Å; V279-F283 PolarHBondContact O-N 2.99Å; V279-T295 HydrophobicContact CB-CG2 4.37Å; V279-T295 HydrophobicContact CG1-CG2 3.94Å |
| 280 | S | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 171.4 | 88.1 | 0 | 0 | 0 | 0 | 112.3 | Y276 N277 K278 F283 W284 H292 T295 | Y276-S280 WeakPolarHBondContact O-CB 3.03Å; Y276-S280 PolarHBondContact O-N 3.15Å; N277-S280 WeakPolarHBondContact O-CB 3.4Å; N277-S280 PolarHBondContact O-N 2.92Å; N277-S280 VanDerWaalsContact O-N 3.14Å; N277-S280 PolarHBondContact O-OG 3.46Å; K278-S280 VanDerWaalsContact C-N 3.25Å; K278-S280 PolarHBondContact O-N 2.75Å; S280-F283 PolarHBondContact O-N 3.5Å; S280-W284 WeakPolarHBondContact O-CB 3.25Å; S280-W284 PolarHBondContact O-N 3.3Å; S280-H292 PolarHBondContact O-ND1 2.84Å; S280-T295 VanDerWaalsContact CA-OG1 3.25Å; S280-T295 WeakPolarHBondContact CA-OG1 3.39Å; S280-T295 WeakPolarHBondContact CB-OG1 3.36Å |
| 281 | T | 90.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.2 | -35.2 | 177.9 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | N277 K278 W284 K285 | N277-T281 PolarHBondContact O-N 3.22Å; K278-T281 PolarHBondContact O-N 3.29Å; K278-T281 PolarHBondContact O-OG1 3.5Å; T281-W284 PolarHBondContact O-N 2.8Å; T281-K285 WeakPolarHBondContact O-CB 3.07Å; T281-K285 WeakPolarHBondContact O-CG 3.41Å; T281-K285 PolarHBondContact O-N 3.24Å |
| 282 | V | 91.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 171.4 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | L237 I241 W246 A249 K278 V279 W284 K285 S286 | L237-V282 HydrophobicContact CD1-CG2 4.3Å; I241-V282 HydrophobicContact CD1-CG2 3.59Å; I241-V282 HydrophobicContact CG1-CG2 3.75Å; W246-V282 HydrophobicContact CZ3-CG2 4.4Å; A249-V282 HydrophobicContact CB-CG2 4.46Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.22Å; K278-V282 VanDerWaalsContact O-N 3.09Å; V279-V282 PolarHBondContact O-N 3.11Å; V282-W284 VanDerWaalsContact C-N 3.32Å; V282-W284 PolarHBondContact O-N 2.75Å; V282-K285 PolarHBondContact O-N 2.83Å; V282-S286 WeakPolarHBondContact O-CB 3.43Å; V282-S286 PolarHBondContact O-N 3.18Å; V282-S286 PolarHBondContact O-OG 2.98Å |
| 283 | F | 92.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.4 | -32.6 | 177.7 | -73.9 | -49.6 | 0 | 0 | 0 | 113.3 | V279 S280 S286 G287 N288 F291 H292 T295 L355 L359 | V279-F283 HydrophobicContact CG1-CD2 3.71Å; V279-F283 HydrophobicContact CG1-CE2 3.31Å; V279-F283 HydrophobicContact CG1-CZ 4.07Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.22Å; V279-F283 PolarHBondContact O-N 2.99Å; S280-F283 PolarHBondContact O-N 3.5Å; F283-S286 WeakPolarHBondContact CA-OG 3.49Å; F283-S286 PolarHBondContact O-OG 2.84Å; F283-G287 PolarHBondContact O-N 2.88Å; F283-N288 HydrophobicContact CD1-CB 4.36Å; F283-N288 PolarHBondContact O-N 3.19Å; F283-F291 HydrophobicContact CB-CB 4.28Å; F283-F291 HydrophobicContact CD1-CB 3.74Å; F283-F291 HydrophobicContact CD2-CB 3.77Å; F283-F291 HydrophobicContact CE1-CB 3.96Å; F283-F291 HydrophobicContact CE1-CG 4.44Å; F283-F291 HydrophobicContact CE2-CB 3.96Å; F283-F291 HydrophobicContact CG-CB 3.67Å; F283-F291 HydrophobicContact CZ-CB 4.07Å; F283-H292 HydrophobicContact CB-CB 3.92Å; F283-T295 HydrophobicContact CD2-CG2 3.72Å; F283-T295 HydrophobicContact CE2-CG2 3.74Å; F283-L355 HydrophobicContact CE1-CD1 4.09Å; F283-L355 HydrophobicContact CE1-CD2 3.93Å; F283-L355 HydrophobicContact CE1-CG 4.48Å; F283-L355 HydrophobicContact CZ-CD2 4.3Å; F283-L359 HydrophobicContact CE2-CD1 3.64Å; F283-L359 HydrophobicContact CE2-CD2 4.46Å; F283-L359 HydrophobicContact CE2-CG 4.29Å; F283-L359 HydrophobicContact CZ-CD1 3.7Å |
| 284 | W | 91.8 | Very high | 91.9 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 16% | 0.163 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -49.8 | 173.3 | -173.6 | -104.4 | 0 | 0 | 0 | 111.6 | S280 T281 V282 S286 G287 A289 H292 Q426 Y427 H430 | S280-W284 WeakPolarHBondContact O-CB 3.25Å; S280-W284 PolarHBondContact O-N 3.3Å; T281-W284 PolarHBondContact O-N 2.8Å; V282-W284 VanDerWaalsContact C-N 3.32Å; V282-W284 PolarHBondContact O-N 2.75Å; W284-S286 VanDerWaalsContact C-N 3.27Å; W284-S286 PolarHBondContact O-N 3.04Å; W284-G287 PolarHBondContact O-N 3.33Å; W284-A289 HydrophobicContact CZ3-CB 4.33Å; W284-H292 AromaticContact CE3-CD2 3.74Å; W284-H292 AromaticContact CE3-CG 3.95Å; W284-H292 AromaticContact CE3-NE2 3.98Å; W284-Q426 VanDerWaalsContact CD1-OE1 3.27Å; W284-Q426 HydrophobicContact CD2-CG 4.35Å; W284-Q426 HydrophobicContact CH2-CB 4.47Å; W284-Q426 HydrophobicContact CH2-CG 4.21Å; W284-Q426 WeakPolarHBondContact CH2-O 3.36Å; W284-Q426 HydrophobicContact CZ2-CB 3.56Å; W284-Q426 HydrophobicContact CZ2-CG 3.63Å; W284-Q426 WeakPolarHBondContact CZ2-O 3.48Å; W284-Q426 VanDerWaalsContact NE1-OE1 3.09Å; W284-Y427 HydrophobicContact CE3-CE1 4.36Å; W284-Y427 AromaticContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CE1 4.26Å; W284-Y427 AromaticContact CZ3-CD1 3.97Å; W284-Y427 HydrophobicContact CZ3-CD1 3.97Å; W284-Y427 AromaticContact CZ3-CE1 3.95Å; W284-Y427 HydrophobicContact CZ3-CE1 3.95Å; W284-H430 AromaticContact CH2-CE1 3.51Å; W284-H430 AromaticContact CH2-ND1 3.43Å; W284-H430 WeakPolarHBondContact CH2-ND1 3.35Å; W284-H430 AromaticContact CZ2-CE1 3.8Å; W284-H430 AromaticContact CZ2-ND1 3.93Å |
| 285 | K | 88.8 | Confident | 92.1 | Very high | 145 Ų | 145 | 26.7 Ų | 26.7 | 63% | 0.63 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -67.8 | -23.8 | 179.2 | -69.3 | -76.1 | -174.8 | 169.7 | 0 | 113.2 | W246 T281 V282 G287 | W246-K285 HydrophobicContact CE3-CB 4.39Å; W246-K285 HydrophobicContact CH2-CB 3.56Å; W246-K285 HydrophobicContact CH2-CD 4.34Å; W246-K285 HydrophobicContact CH2-CG 3.67Å; W246-K285 HydrophobicContact CZ2-CB 3.97Å; W246-K285 HydrophobicContact CZ2-CD 4.5Å; W246-K285 HydrophobicContact CZ2-CG 4.22Å; W246-K285 HydrophobicContact CZ3-CB 3.78Å; W246-K285 HydrophobicContact CZ3-CG 4.23Å; T281-K285 WeakPolarHBondContact O-CB 3.07Å; T281-K285 WeakPolarHBondContact O-CG 3.41Å; T281-K285 PolarHBondContact O-N 3.24Å; V282-K285 PolarHBondContact O-N 2.83Å; K285-G287 VanDerWaalsContact C-N 3.28Å |
| 286 | S | 86.7 | Confident | 92.1 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 43% | 0.434 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.9 | 169.7 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | V282 F283 W284 N288 | V282-S286 WeakPolarHBondContact O-CB 3.43Å; V282-S286 PolarHBondContact O-N 3.18Å; V282-S286 PolarHBondContact O-OG 2.98Å; F283-S286 WeakPolarHBondContact CA-OG 3.49Å; F283-S286 PolarHBondContact O-OG 2.84Å; W284-S286 VanDerWaalsContact C-N 3.27Å; W284-S286 PolarHBondContact O-N 3.04Å; S286-N288 PolarHBondContact O-N 2.85Å; S286-N288 PolarHBondContact O-ND2 2.99Å |
| 287 | G | 86.7 | Confident | 92.1 | Very high | 45 Ų | 45 | 26.3 Ų | 26.3 | 46% | 0.464 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F283 W284 K285 A289 | F283-G287 PolarHBondContact O-N 2.88Å; W284-G287 PolarHBondContact O-N 3.33Å; K285-G287 VanDerWaalsContact C-N 3.28Å; G287-A289 VanDerWaalsContact C-N 3.26Å; G287-A289 PolarHBondContact O-N 3.43Å |
| 288 | N | 89.7 | Confident | 92.1 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | trans | -83.1 | 65.1 | -172 | -78.2 | -125.9 | 0 | 0 | 0 | 110.9 | F283 S286 L290 F291 H292 K351 | F283-N288 HydrophobicContact CD1-CB 4.36Å; F283-N288 PolarHBondContact O-N 3.19Å; S286-N288 PolarHBondContact O-N 2.85Å; S286-N288 PolarHBondContact O-ND2 2.99Å; N288-L290 PolarHBondContact O-N 3.21Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-F291 PolarHBondContact O-N 2.97Å; N288-H292 PolarHBondContact O-N 3.41Å; N288-H292 VanDerWaalsContact O-N 3.08Å; N288-K351 PolarHBondContact OD1-NZ 3.22Å | ||
| 289 | A | 92 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.5 | -33.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W284 G287 H292 A293 | W284-A289 HydrophobicContact CZ3-CB 4.33Å; G287-A289 VanDerWaalsContact C-N 3.26Å; G287-A289 PolarHBondContact O-N 3.43Å; A289-H292 WeakPolarHBondContact O-CB 3.46Å; A289-H292 PolarHBondContact O-N 3.32Å; A289-A293 WeakPolarHBondContact O-CB 3.5Å; A289-A293 PolarHBondContact O-N 2.91Å |
| 290 | L | 92.6 | Very high | 92 | Very high | 28 Ų | 28 | 27.2 Ų | 27.2 | 15% | 0.147 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 173.9 | 175.5 | 61.2 | 0 | 0 | 0 | 113 | N288 C294 I329 P365 L370 | N288-L290 PolarHBondContact O-N 3.21Å; N288-L290 VanDerWaalsContact O-N 3.11Å; L290-C294 WeakPolarHBondContact O-CB 3.23Å; L290-C294 PolarHBondContact O-N 2.84Å; L290-C294 VanDerWaalsContact O-N 3.1Å; L290-I329 HydrophobicContact CB-CG2 4.12Å; L290-I329 HydrophobicContact CD1-CD1 4.15Å; L290-I329 HydrophobicContact CD1-CG2 4.19Å; L290-P365 HydrophobicContact CD1-CB 4.46Å; L290-P365 HydrophobicContact CD1-CG 4.45Å; L290-P365 HydrophobicContact CG-CG 4.35Å; L290-L370 HydrophobicContact CD1-CD1 3.96Å |
| 291 | F | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -77.2 | -32 | 178.8 | -77.2 | -78.5 | 0 | 0 | 0 | 112 | F283 N288 C294 T295 H352 L355 A356 L359 P365 | F283-F291 HydrophobicContact CB-CB 4.28Å; F283-F291 HydrophobicContact CD1-CB 3.74Å; F283-F291 HydrophobicContact CD2-CB 3.77Å; F283-F291 HydrophobicContact CE1-CB 3.96Å; F283-F291 HydrophobicContact CE1-CG 4.44Å; F283-F291 HydrophobicContact CE2-CB 3.96Å; F283-F291 HydrophobicContact CG-CB 3.67Å; F283-F291 HydrophobicContact CZ-CB 4.07Å; N288-F291 PolarHBondContact O-N 2.97Å; F291-C294 PolarHBondContact O-N 3.23Å; F291-T295 PolarHBondContact O-N 3.33Å; F291-T295 PolarHBondContact O-OG1 3.28Å; F291-H352 HydrophobicContact CE2-CB 4.19Å; F291-H352 AromaticContact CE2-CD2 3.82Å; F291-H352 AromaticContact CE2-CG 3.86Å; F291-H352 HydrophobicContact CZ-CB 4.04Å; F291-H352 WeakPolarHBondContact CZ-O 3.49Å; F291-L355 HydrophobicContact CD1-CB 4.02Å; F291-L355 HydrophobicContact CD2-CB 4.45Å; F291-L355 HydrophobicContact CD2-CD1 3.8Å; F291-L355 HydrophobicContact CE1-CB 3.63Å; F291-L355 HydrophobicContact CE2-CB 4.11Å; F291-L355 HydrophobicContact CE2-CD1 3.82Å; F291-L355 HydrophobicContact CG-CB 4.42Å; F291-L355 HydrophobicContact CG-CD1 4.25Å; F291-L355 HydrophobicContact CZ-CB 3.69Å; F291-L355 HydrophobicContact CZ-CD1 4.28Å; F291-A356 HydrophobicContact CE1-CB 4.23Å; F291-L359 HydrophobicContact CD1-CD1 3.88Å; F291-L359 HydrophobicContact CD1-CD2 4.24Å; F291-L359 HydrophobicContact CE1-CD1 4.44Å; F291-P365 HydrophobicContact CD1-CG 4.24Å; F291-P365 HydrophobicContact CE1-CG 3.88Å; F291-P365 HydrophobicContact CZ-CG 4.27Å |
| 292 | H | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.3 | -54.6 | 168.8 | 170.3 | 82.5 | 0 | 0 | 0 | 111.3 | S280 F283 W284 N288 A289 C294 T295 L296 Y427 | S280-H292 PolarHBondContact O-ND1 2.84Å; F283-H292 HydrophobicContact CB-CB 3.92Å; W284-H292 AromaticContact CE3-CD2 3.74Å; W284-H292 AromaticContact CE3-CG 3.95Å; W284-H292 AromaticContact CE3-NE2 3.98Å; N288-H292 PolarHBondContact O-N 3.41Å; N288-H292 VanDerWaalsContact O-N 3.08Å; A289-H292 WeakPolarHBondContact O-CB 3.46Å; A289-H292 PolarHBondContact O-N 3.32Å; H292-C294 VanDerWaalsContact C-N 3.29Å; H292-C294 PolarHBondContact O-N 3.45Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 VanDerWaalsContact O-N 3.11Å; H292-T295 PolarHBondContact O-OG1 3Å; H292-L296 VanDerWaalsContact NE2-CD1 3.35Å; H292-L296 WeakPolarHBondContact NE2-CD1 3.44Å; H292-L296 PolarHBondContact O-N 2.86Å; H292-Y427 AromaticContact NE2-CE1 3.53Å; H292-Y427 AromaticContact NE2-CZ 3.79Å; H292-Y427 PolarHBondContact NE2-OH 3.16Å |
| 293 | A | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A289 L296 H297 A325 T326 I329 L370 | A289-A293 WeakPolarHBondContact O-CB 3.5Å; A289-A293 PolarHBondContact O-N 2.91Å; A293-L296 PolarHBondContact O-N 3.41Å; A293-H297 PolarHBondContact O-CD2 3.17Å; A293-H297 PolarHBondContact O-N 3.46Å; A293-A325 HydrophobicContact CB-CB 4.3Å; A293-T326 HydrophobicContact CB-CG2 4.05Å; A293-I329 HydrophobicContact CB-CD1 3.75Å; A293-I329 HydrophobicContact CB-CG1 3.91Å; A293-L370 HydrophobicContact CB-CD1 4.15Å |
| 294 | C | 94.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.7 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | L290 F291 H292 L296 H297 R298 L359 P365 L370 | L290-C294 WeakPolarHBondContact O-CB 3.23Å; L290-C294 PolarHBondContact O-N 2.84Å; L290-C294 VanDerWaalsContact O-N 3.1Å; F291-C294 PolarHBondContact O-N 3.23Å; H292-C294 VanDerWaalsContact C-N 3.29Å; H292-C294 PolarHBondContact O-N 3.45Å; C294-L296 VanDerWaalsContact C-N 3.32Å; C294-L296 PolarHBondContact O-N 3.21Å; C294-H297 WeakPolarHBondContact O-CB 3.49Å; C294-H297 PolarHBondContact O-N 3.07Å; C294-R298 PolarHBondContact O-N 3.01Å; C294-L359 HydrophobicContact CB-CD2 3.88Å; C294-P365 HydrophobicContact CB-CB 4.38Å; C294-P365 HydrophobicContact CB-CG 4.08Å; C294-L370 HydrophobicContact CB-CD1 4.25Å; C294-L370 HydrophobicContact CB-CD2 4.26Å |
| 295 | T | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 173.3 | 52.4 | 0 | 0 | 0 | 0 | 113 | V279 S280 F283 F291 H292 R298 L299 L359 | V279-T295 HydrophobicContact CB-CG2 4.37Å; V279-T295 HydrophobicContact CG1-CG2 3.94Å; S280-T295 VanDerWaalsContact CA-OG1 3.25Å; S280-T295 WeakPolarHBondContact CA-OG1 3.39Å; S280-T295 WeakPolarHBondContact CB-OG1 3.36Å; F283-T295 HydrophobicContact CD2-CG2 3.72Å; F283-T295 HydrophobicContact CE2-CG2 3.74Å; F291-T295 PolarHBondContact O-N 3.33Å; F291-T295 PolarHBondContact O-OG1 3.28Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 VanDerWaalsContact O-N 3.11Å; H292-T295 PolarHBondContact O-OG1 3Å; T295-R298 PolarHBondContact O-N 3.36Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 PolarHBondContact O-N 3.36Å; T295-L359 HydrophobicContact CG2-CD2 3.61Å; T295-L359 HydrophobicContact CG2-CG 4.02Å |
| 296 | L | 94.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -36 | 175.7 | -65.7 | 176.9 | 0 | 0 | 0 | 112.2 | H292 A293 C294 L299 Y300 R321 V322 A325 | H292-L296 VanDerWaalsContact NE2-CD1 3.35Å; H292-L296 WeakPolarHBondContact NE2-CD1 3.44Å; H292-L296 PolarHBondContact O-N 2.86Å; A293-L296 PolarHBondContact O-N 3.41Å; C294-L296 VanDerWaalsContact C-N 3.32Å; C294-L296 PolarHBondContact O-N 3.21Å; L296-L299 HydrophobicContact CD2-CD2 4.18Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-Y300 WeakPolarHBondContact O-CB 3.46Å; L296-Y300 PolarHBondContact O-N 2.85Å; L296-R321 HydrophobicContact CD1-CG 4.06Å; L296-V322 HydrophobicContact CB-CG2 4Å; L296-A325 HydrophobicContact CD1-CB 3.54Å |
| 297 | H | 93.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 10% | 0.097 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 168 | -88.7 | -121.6 | 0 | 0 | 0 | 112 | A293 C294 H301 T326 L370 | A293-H297 PolarHBondContact O-CD2 3.17Å; A293-H297 PolarHBondContact O-N 3.46Å; C294-H297 WeakPolarHBondContact O-CB 3.49Å; C294-H297 PolarHBondContact O-N 3.07Å; H297-H301 PolarHBondContact O-N 3.31Å; H297-H301 VanDerWaalsContact O-N 3.08Å; H297-T326 WeakPolarHBondContact NE2-CG2 3.36Å; H297-L370 PolarHBondContact CE1-O 3.24Å |
| 298 | R | 92.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 40.9 Ų | 40.9 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.6 | -71.5 | -57.5 | -152.2 | -173.4 | 6.5 | 112 | Y276 C294 T295 H301 L302 G360 | Y276-R298 HydrophobicContact CD1-CB 4.15Å; Y276-R298 HydrophobicContact CD2-CB 4.27Å; Y276-R298 HydrophobicContact CE1-CB 4.07Å; Y276-R298 HydrophobicContact CE1-CG 4.38Å; Y276-R298 HydrophobicContact CE2-CB 4.2Å; Y276-R298 HydrophobicContact CG-CB 4.26Å; C294-R298 PolarHBondContact O-N 3.01Å; T295-R298 PolarHBondContact O-N 3.36Å; R298-H301 PolarHBondContact O-N 3.37Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 3.4Å; R298-G360 PolarHBondContact NH2-O 3.44Å |
| 299 | L | 92.6 | Very high | 88.7 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 178.4 | 180 | 58.8 | 0 | 0 | 0 | 112 | A273 N277 T295 L296 L302 S303 | A273-L299 HydrophobicContact CB-CD1 3.82Å; A273-L299 WeakPolarHBondContact O-CD1 3.47Å; N277-L299 HydrophobicContact CB-CD2 4.23Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 PolarHBondContact O-N 3.36Å; L296-L299 HydrophobicContact CD2-CD2 4.18Å; L296-L299 PolarHBondContact O-N 2.99Å; L299-L302 PolarHBondContact O-N 2.95Å; L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.94Å; L299-S303 PolarHBondContact O-OG 2.71Å; L299-S303 VanDerWaalsContact O-OG 3.14Å |
| 300 | Y | 91.4 | Very high | 88 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.5 | 173.6 | -99.9 | 0 | 0 | 0 | 112.8 | L296 S303 R304 M315 M318 V322 L379 | L296-Y300 WeakPolarHBondContact O-CB 3.46Å; L296-Y300 PolarHBondContact O-N 2.85Å; Y300-S303 PolarHBondContact O-OG 2.87Å; Y300-R304 VanDerWaalsContact O-CB 3.32Å; Y300-R304 WeakPolarHBondContact O-CB 3.34Å; Y300-R304 PolarHBondContact O-N 3.2Å; Y300-M315 HydrophobicContact CE2-SD 3.66Å; Y300-M318 HydrophobicContact CD2-CB 4.17Å; Y300-V322 HydrophobicContact CG-CG2 4.45Å; Y300-L379 HydrophobicContact CD1-CD1 4.05Å; Y300-L379 HydrophobicContact CD1-CD2 4.07Å; Y300-L379 HydrophobicContact CD1-CG 4.2Å; Y300-L379 HydrophobicContact CD2-CD2 4.17Å; Y300-L379 HydrophobicContact CE1-CD1 3.86Å; Y300-L379 HydrophobicContact CE1-CD2 3.61Å; Y300-L379 HydrophobicContact CE1-CG 3.57Å; Y300-L379 HydrophobicContact CE2-CD2 3.73Å; Y300-L379 HydrophobicContact CG-CD2 4.33Å; Y300-L379 VanDerWaalsContact CZ-CD2 3.42Å |
| 301 | H | 89 | Confident | 87.7 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -49.3 | 175.4 | -160.2 | -79.1 | 0 | 0 | 0 | 110.9 | H297 R298 R304 E305 | H297-H301 PolarHBondContact O-N 3.31Å; H297-H301 VanDerWaalsContact O-N 3.08Å; R298-H301 PolarHBondContact O-N 3.37Å; H301-R304 PolarHBondContact O-N 2.88Å; H301-E305 IonicContact CE1-OE1 3.92Å; H301-E305 PolarHBondContact CE1-OE1 3.24Å; H301-E305 VanDerWaalsContact CE1-OE1 3.24Å; H301-E305 IonicContact CE1-OE2 3.83Å; H301-E305 PolarHBondContact CE1-OE2 3.03Å; H301-E305 IonicContact CG-OE2 3.19Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 IonicContact ND1-OE2 2.76Å; H301-E305 PolarHBondContact ND1-OE2 2.59Å; H301-E305 WeakPolarHBondContact O-CG 3.41Å; H301-E305 PolarHBondContact O-N 3.13Å |
| 302 | L | 90.2 | Very high | 87.4 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | -178.8 | -177.5 | 70.7 | 0 | 0 | 0 | 113.1 | P269 M272 A273 Y276 R298 L299 E305 M306 | P269-L302 HydrophobicContact CB-CD1 4.07Å; M272-L302 HydrophobicContact CB-CD2 3.5Å; A273-L302 HydrophobicContact CB-CD2 4.2Å; Y276-L302 HydrophobicContact CD2-CD2 3.95Å; Y276-L302 HydrophobicContact CE2-CD2 4.05Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 3.4Å; L299-L302 PolarHBondContact O-N 2.95Å; L302-E305 PolarHBondContact O-N 3.24Å; L302-M306 WeakPolarHBondContact O-CB 3.48Å; L302-M306 PolarHBondContact O-N 3.42Å |
| 303 | S | 88.1 | Confident | 87 | Confident | 8 Ų | 8 | 61 Ų | 61 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 179.2 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | L299 Y300 M306 R307 M318 | L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.94Å; L299-S303 PolarHBondContact O-OG 2.71Å; L299-S303 VanDerWaalsContact O-OG 3.14Å; Y300-S303 PolarHBondContact O-OG 2.87Å; S303-M306 PolarHBondContact O-N 3.36Å; S303-R307 PolarHBondContact O-N 2.62Å; S303-M318 VanDerWaalsContact OG-CE 3.25Å; S303-M318 WeakPolarHBondContact OG-CE 3.1Å; S303-M318 PolarHBondContact OG-SD 3.37Å |
| 304 | R | 85.8 | Confident | 86.6 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 174 | -172.1 | -178.9 | 67.8 | 177.8 | -1.1 | 112.9 | Y300 H301 M315 | Y300-R304 VanDerWaalsContact O-CB 3.32Å; Y300-R304 WeakPolarHBondContact O-CB 3.34Å; Y300-R304 PolarHBondContact O-N 3.2Å; H301-R304 PolarHBondContact O-N 2.88Å; R304-M315 HydrophobicContact CG-CE 4.35Å |
| 305 | E | 84.6 | Confident | 86.3 | Confident | 123 Ų | 123 | 65.5 Ų | 65.5 | 58% | 0.575 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.8 | -37.6 | 173.6 | -72.7 | 175.5 | 127.6 | 0 | 0 | 112.6 | H301 L302 | H301-E305 IonicContact CE1-OE1 3.92Å; H301-E305 PolarHBondContact CE1-OE1 3.24Å; H301-E305 VanDerWaalsContact CE1-OE1 3.24Å; H301-E305 IonicContact CE1-OE2 3.83Å; H301-E305 PolarHBondContact CE1-OE2 3.03Å; H301-E305 IonicContact CG-OE2 3.19Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 IonicContact ND1-OE2 2.76Å; H301-E305 PolarHBondContact ND1-OE2 2.59Å; H301-E305 WeakPolarHBondContact O-CG 3.41Å; H301-E305 PolarHBondContact O-N 3.13Å; L302-E305 PolarHBondContact O-N 3.24Å |
| 306 | M | 81.5 | Confident | 86.1 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.1 | -40.2 | -177.8 | 178.9 | 177.5 | 57.1 | 0 | 0 | 113.3 | P269 Q270 A273 L302 S303 | P269-M306 HydrophobicContact CB-CB 4.14Å; P269-M306 HydrophobicContact CB-CG 3.99Å; P269-M306 HydrophobicContact CB-SD 3.77Å; Q270-M306 HydrophobicContact CB-SD 3.9Å; Q270-M306 PolarHBondContact N-SD 2.86Å; Q270-M306 VanDerWaalsContact N-SD 3.42Å; A273-M306 HydrophobicContact CB-CE 4.36Å; L302-M306 WeakPolarHBondContact O-CB 3.48Å; L302-M306 PolarHBondContact O-N 3.42Å; S303-M306 PolarHBondContact O-N 3.36Å |
| 307 | R | 77.2 | Confident | 85.8 | Confident | 105 Ų | 105 | 74 Ų | 74 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | trans | -121.6 | 94.6 | -171.2 | -65.7 | -178.5 | -176.8 | -175.6 | 3.5 | 111.3 | S303 N309 L310 E314 | S303-R307 PolarHBondContact O-N 2.62Å; R307-N309 PolarHBondContact O-N 2.88Å; R307-L310 HydrophobicContact CB-CD1 3.67Å; R307-L310 VanDerWaalsContact CD-CD1 3.47Å; R307-L310 HydrophobicContact CG-CD1 4.2Å; R307-L310 PolarHBondContact O-N 3.39Å; R307-E314 IonicContact NH1-OE2 2.7Å; R307-E314 PolarHBondContact NH1-OE2 2.81Å | ||
| 308 | K | 73.3 | Confident | 85.6 | Confident | 194 Ų | 194 | 75.1 Ų | 75.1 | 84% | 0.843 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.2 | 174.8 | -64.5 | -175 | 178.5 | -177.9 | 0 | 113.8 | ||
| 309 | N | 72.1 | Confident | 85.6 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 47.1 | -179.2 | -58.6 | 18 | 0 | 0 | 0 | 110.4 | R307 | R307-N309 PolarHBondContact O-N 2.88Š|
| 310 | L | 77.9 | Confident | 85.6 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | trans | -67.9 | 146.8 | 173.2 | -151.4 | 87.5 | 0 | 0 | 0 | 110.2 | R307 E314 M315 M318 | R307-L310 HydrophobicContact CB-CD1 3.67Å; R307-L310 VanDerWaalsContact CD-CD1 3.47Å; R307-L310 HydrophobicContact CG-CD1 4.2Å; R307-L310 PolarHBondContact O-N 3.39Å; L310-E314 VanDerWaalsContact CD1-OE2 3.28Å; L310-E314 WeakPolarHBondContact CD1-OE2 3.39Å; L310-E314 HydrophobicContact CD2-CB 3.84Å; L310-E314 HydrophobicContact CG-CB 3.97Å; L310-M315 HydrophobicContact CB-CE 4.04Å; L310-M315 HydrophobicContact CD2-CB 3.96Å; L310-M315 HydrophobicContact CD2-CE 3.6Å; L310-M315 HydrophobicContact CD2-SD 3.9Å; L310-M315 HydrophobicContact CG-CE 4.45Å; L310-M318 HydrophobicContact CD2-CE 3.37Å | ||
| 311 | T | 85.8 | Confident | 85.7 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | trans | -71.7 | 149.7 | 172.6 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | D313 E314 M315 | T311-D313 PolarHBondContact O-N 3.42Å; T311-E314 PolarHBondContact O-N 3.38Å; T311-E314 VanDerWaalsContact OG1-CB 3.31Å; T311-E314 WeakPolarHBondContact OG1-CB 3.36Å; T311-E314 VanDerWaalsContact OG1-CG 3.28Å; T311-E314 WeakPolarHBondContact OG1-CG 3.13Å; T311-E314 PolarHBondContact OG1-N 2.91Å; T311-E314 VanDerWaalsContact OG1-N 3.1Å; T311-M315 PolarHBondContact O-N 2.73Å | ||
| 312 | Q | 85.9 | Confident | 86 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 177.8 | -174.3 | 66.6 | -3.3 | 0 | 0 | 111 | M315 Q316 | Q312-M315 WeakPolarHBondContact O-CB 3.49Å; Q312-M315 PolarHBondContact O-N 3.22Å; Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3.04Å |
| 313 | D | 86.9 | Confident | 86.1 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.1 | -62.9 | 35 | 0 | 0 | 0 | 112.6 | T311 M315 Q316 R317 | T311-D313 PolarHBondContact O-N 3.42Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.5Å; D313-Q316 PolarHBondContact O-N 3.08Å; D313-R317 VanDerWaalsContact O-CG 3.24Å; D313-R317 WeakPolarHBondContact O-CG 3.1Å; D313-R317 PolarHBondContact O-N 2.83Å |
| 314 | E | 87.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 172.7 | -79.5 | -177.6 | -178 | 0 | 0 | 110.8 | R307 L310 T311 Q316 M318 | R307-E314 IonicContact NH1-OE2 2.7Å; R307-E314 PolarHBondContact NH1-OE2 2.81Å; L310-E314 VanDerWaalsContact CD1-OE2 3.28Å; L310-E314 WeakPolarHBondContact CD1-OE2 3.39Å; L310-E314 HydrophobicContact CD2-CB 3.84Å; L310-E314 HydrophobicContact CG-CB 3.97Å; T311-E314 PolarHBondContact O-N 3.38Å; T311-E314 VanDerWaalsContact OG1-CB 3.31Å; T311-E314 WeakPolarHBondContact OG1-CB 3.36Å; T311-E314 VanDerWaalsContact OG1-CG 3.28Å; T311-E314 WeakPolarHBondContact OG1-CG 3.13Å; T311-E314 PolarHBondContact OG1-N 2.91Å; T311-E314 VanDerWaalsContact OG1-N 3.1Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 2.83Å; E314-M318 WeakPolarHBondContact O-CG 3.25Å; E314-M318 PolarHBondContact O-N 3.15Å |
| 315 | M | 88.2 | Confident | 86.9 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.6 | -162.5 | 65.1 | 77.9 | 0 | 0 | 110.6 | Y300 R304 L310 T311 Q312 D313 M318 S319 Y382 | Y300-M315 HydrophobicContact CE2-SD 3.66Å; R304-M315 HydrophobicContact CG-CE 4.35Å; L310-M315 HydrophobicContact CB-CE 4.04Å; L310-M315 HydrophobicContact CD2-CB 3.96Å; L310-M315 HydrophobicContact CD2-CE 3.6Å; L310-M315 HydrophobicContact CD2-SD 3.9Å; L310-M315 HydrophobicContact CG-CE 4.45Å; T311-M315 PolarHBondContact O-N 2.73Å; Q312-M315 WeakPolarHBondContact O-CB 3.49Å; Q312-M315 PolarHBondContact O-N 3.22Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.5Å; M315-M318 PolarHBondContact O-N 3.35Å; M315-M318 HydrophobicContact SD-CE 4.24Å; M315-S319 VanDerWaalsContact O-CB 3.25Å; M315-S319 WeakPolarHBondContact O-CB 3.42Å; M315-S319 PolarHBondContact O-N 2.68Å; M315-S319 PolarHBondContact O-OG 3.01Å; M315-Y382 HydrophobicContact CG-CD1 3.81Å; M315-Y382 HydrophobicContact CG-CG 4.04Å |
| 316 | Q | 90.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 178.7 | -81.2 | 179.6 | 1 | 0 | 0 | 111.9 | Q312 D313 E314 M318 S319 T320 Y382 V384 | Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3.04Å; D313-Q316 PolarHBondContact O-N 3.08Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 2.83Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; Q316-M318 PolarHBondContact O-N 2.64Å; Q316-S319 PolarHBondContact O-N 3.46Å; Q316-S319 VanDerWaalsContact O-N 3.11Å; Q316-T320 WeakPolarHBondContact O-CG2 3.39Å; Q316-T320 PolarHBondContact O-N 3.43Å; Q316-T320 PolarHBondContact O-OG1 2.91Å; Q316-T320 VanDerWaalsContact O-OG1 3.11Å; Q316-Y382 WeakPolarHBondContact CA-O 3.37Å; Q316-Y382 VanDerWaalsContact CG-O 3.3Å; Q316-Y382 WeakPolarHBondContact CG-O 3.28Å; Q316-V384 HydrophobicContact CB-CG2 4.01Å; Q316-V384 HydrophobicContact CG-CG2 4.31Å |
| 317 | R | 88.8 | Confident | 87.9 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 177.8 | -66.5 | 167.8 | -173.3 | -118.6 | 11.8 | 112.4 | D313 T320 R321 E421 | D313-R317 VanDerWaalsContact O-CG 3.24Å; D313-R317 WeakPolarHBondContact O-CG 3.1Å; D313-R317 PolarHBondContact O-N 2.83Å; R317-T320 PolarHBondContact O-OG1 2.76Å; R317-T320 VanDerWaalsContact O-OG1 3.1Å; R317-R321 VanDerWaalsContact O-CB 3.24Å; R317-R321 WeakPolarHBondContact O-CB 3.32Å; R317-R321 PolarHBondContact O-N 3.37Å; R317-R321 VanDerWaalsContact O-N 3.1Å; R317-E421 WeakPolarHBondContact CD-OE1 3.21Å; R317-E421 VanDerWaalsContact CG-OE1 3.22Å; R317-E421 WeakPolarHBondContact CG-OE1 3.13Å; R317-E421 IonicContact CZ-OE1 2.73Å; R317-E421 IonicContact NE-OE1 3.96Å; R317-E421 IonicContact NH1-OE1 3.22Å; R317-E421 PolarHBondContact NH1-OE1 2.93Å |
| 318 | M | 89.2 | Confident | 88.7 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 21% | 0.212 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 174.2 | -70.7 | -168.5 | -56.9 | 0 | 0 | 112.4 | Y300 S303 L310 E314 M315 Q316 R321 V322 | Y300-M318 HydrophobicContact CD2-CB 4.17Å; S303-M318 VanDerWaalsContact OG-CE 3.25Å; S303-M318 WeakPolarHBondContact OG-CE 3.1Å; S303-M318 PolarHBondContact OG-SD 3.37Å; L310-M318 HydrophobicContact CD2-CE 3.37Å; E314-M318 WeakPolarHBondContact O-CG 3.25Å; E314-M318 PolarHBondContact O-N 3.15Å; M315-M318 PolarHBondContact O-N 3.35Å; M315-M318 HydrophobicContact SD-CE 4.24Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; Q316-M318 PolarHBondContact O-N 2.64Å; M318-R321 PolarHBondContact O-N 3.24Å; M318-V322 WeakPolarHBondContact O-CB 3.18Å; M318-V322 VanDerWaalsContact O-CG2 3.27Å; M318-V322 WeakPolarHBondContact O-CG2 3.4Å; M318-V322 PolarHBondContact O-N 2.83Å |
| 319 | S | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -40.9 | -177.1 | -58.4 | 0 | 0 | 0 | 0 | 112 | M315 Q316 V322 L323 Y382 | M315-S319 VanDerWaalsContact O-CB 3.25Å; M315-S319 WeakPolarHBondContact O-CB 3.42Å; M315-S319 PolarHBondContact O-N 2.68Å; M315-S319 PolarHBondContact O-OG 3.01Å; Q316-S319 PolarHBondContact O-N 3.46Å; Q316-S319 VanDerWaalsContact O-N 3.11Å; S319-V322 PolarHBondContact O-N 2.97Å; S319-L323 WeakPolarHBondContact O-CB 3.27Å; S319-L323 PolarHBondContact O-N 3.05Å; S319-Y382 WeakPolarHBondContact CB-O 2.96Å; S319-Y382 WeakPolarHBondContact OG-CB 3.38Å |
| 320 | T | 92.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 173.3 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | Q316 R317 V322 L323 L324 V383 V384 V387 | Q316-T320 WeakPolarHBondContact O-CG2 3.39Å; Q316-T320 PolarHBondContact O-N 3.43Å; Q316-T320 PolarHBondContact O-OG1 2.91Å; Q316-T320 VanDerWaalsContact O-OG1 3.11Å; R317-T320 PolarHBondContact O-OG1 2.76Å; R317-T320 VanDerWaalsContact O-OG1 3.1Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.21Å; T320-L323 PolarHBondContact O-N 2.71Å; T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 WeakPolarHBondContact O-CG 3.43Å; T320-L324 PolarHBondContact O-N 2.78Å; T320-V383 HydrophobicContact CG2-CG1 4.28Å; T320-V384 HydrophobicContact CG2-CB 3.7Å; T320-V384 HydrophobicContact CG2-CG2 3.58Å; T320-V387 HydrophobicContact CG2-CG2 3.72Å |
| 321 | R | 93.2 | Very high | 90.8 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.5 | -172 | -168.3 | -175.1 | 119.6 | 2.8 | 112.1 | L296 R317 M318 A325 D423 L424 Y427 | L296-R321 HydrophobicContact CD1-CG 4.06Å; R317-R321 VanDerWaalsContact O-CB 3.24Å; R317-R321 WeakPolarHBondContact O-CB 3.32Å; R317-R321 PolarHBondContact O-N 3.37Å; R317-R321 VanDerWaalsContact O-N 3.1Å; M318-R321 PolarHBondContact O-N 3.24Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.86Å; R321-D423 IonicContact CZ-OD2 3.14Å; R321-D423 IonicContact NH1-OD2 2.85Å; R321-D423 PolarHBondContact NH1-OD2 2.97Å; R321-D423 IonicContact NH2-OD2 3.05Å; R321-D423 PolarHBondContact NH2-OD2 2.8Å; R321-L424 HydrophobicContact CB-CD2 4.05Å; R321-L424 HydrophobicContact CG-CD2 4.31Å; R321-Y427 HydrophobicContact CG-CE2 4.43Å |
| 322 | V | 94.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 176.3 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | L296 Y300 M318 S319 T320 T326 L379 | L296-V322 HydrophobicContact CB-CG2 4Å; Y300-V322 HydrophobicContact CG-CG2 4.45Å; M318-V322 WeakPolarHBondContact O-CB 3.18Å; M318-V322 VanDerWaalsContact O-CG2 3.27Å; M318-V322 WeakPolarHBondContact O-CG2 3.4Å; M318-V322 PolarHBondContact O-N 2.83Å; S319-V322 PolarHBondContact O-N 2.97Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.21Å; V322-T326 PolarHBondContact O-N 3.44Å; V322-T326 PolarHBondContact O-OG1 2.87Å; V322-L379 HydrophobicContact CB-CD2 4.39Å; V322-L379 HydrophobicContact CG1-CD1 3.82Å; V322-L379 HydrophobicContact CG1-CD2 4.26Å |
| 323 | L | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 177.6 | 174.4 | 65 | 0 | 0 | 0 | 111.9 | S319 T320 T326 L327 M374 L380 V383 | S319-L323 WeakPolarHBondContact O-CB 3.27Å; S319-L323 PolarHBondContact O-N 3.05Å; T320-L323 PolarHBondContact O-N 2.71Å; L323-T326 PolarHBondContact O-N 2.88Å; L323-T326 PolarHBondContact O-OG1 2.95Å; L323-L327 HydrophobicContact CD1-CD1 3.54Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.98Å; L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 3.49Å; L323-M374 HydrophobicContact CB-SD 4.29Å; L323-M374 HydrophobicContact CD1-CE 3.62Å; L323-M374 HydrophobicContact CD1-SD 3.44Å; L323-M374 WeakPolarHBondContact CD1-SD 3.42Å; L323-M374 HydrophobicContact CG-SD 4.48Å; L323-L380 HydrophobicContact CD1-CD2 4.18Å; L323-L380 HydrophobicContact CD2-CD2 4.43Å; L323-V383 HydrophobicContact CB-CG2 4.27Å; L323-V383 HydrophobicContact CD2-CB 4.38Å; L323-V383 HydrophobicContact CD2-CG1 3.51Å; L323-V383 HydrophobicContact CD2-CG2 3.98Å |
| 324 | L | 93.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -178.7 | -65.2 | 176.7 | 0 | 0 | 0 | 111 | T320 S328 V387 L390 V414 L424 Y427 L431 | T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 WeakPolarHBondContact O-CG 3.43Å; T320-L324 PolarHBondContact O-N 2.78Å; L324-S328 WeakPolarHBondContact O-CB 3.43Å; L324-S328 PolarHBondContact O-N 2.98Å; L324-S328 PolarHBondContact O-OG 2.73Å; L324-V387 HydrophobicContact CD2-CG1 4.27Å; L324-L390 HydrophobicContact CD2-CD2 3.78Å; L324-V414 HydrophobicContact CD1-CG2 4.25Å; L324-L424 HydrophobicContact CD1-CB 4.42Å; L324-L424 HydrophobicContact CD1-CD1 4.17Å; L324-L424 HydrophobicContact CD1-CD2 4.13Å; L324-L424 HydrophobicContact CD1-CG 4.47Å; L324-Y427 HydrophobicContact CB-CD2 3.73Å; L324-Y427 HydrophobicContact CB-CE2 4.4Å; L324-Y427 HydrophobicContact CB-CG 4.13Å; L324-L431 HydrophobicContact CD2-CD1 3.93Å |
| 325 | A | 95 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A293 L296 R321 S328 I329 Y427 | A293-A325 HydrophobicContact CB-CB 4.3Å; L296-A325 HydrophobicContact CD1-CB 3.54Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.86Å; A325-S328 PolarHBondContact O-N 2.94Å; A325-I329 PolarHBondContact O-N 3.38Å; A325-Y427 HydrophobicContact CB-CD1 4.45Å; A325-Y427 HydrophobicContact CB-CE1 3.82Å |
| 326 | T | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -42.8 | 177.2 | 43.5 | 0 | 0 | 0 | 0 | 113 | A293 H297 V322 L323 S328 I329 L370 | A293-T326 HydrophobicContact CB-CG2 4.05Å; H297-T326 WeakPolarHBondContact NE2-CG2 3.36Å; V322-T326 PolarHBondContact O-N 3.44Å; V322-T326 PolarHBondContact O-OG1 2.87Å; L323-T326 PolarHBondContact O-N 2.88Å; L323-T326 PolarHBondContact O-OG1 2.95Å; T326-S328 PolarHBondContact O-N 2.73Å; T326-I329 HydrophobicContact CG2-CD1 4.48Å; T326-I329 WeakPolarHBondContact O-CB 3.36Å; T326-I329 WeakPolarHBondContact O-CD1 3.28Å; T326-I329 VanDerWaalsContact O-CG1 3.29Å; T326-I329 WeakPolarHBondContact O-CG1 3.42Å; T326-I329 PolarHBondContact O-N 3.22Å; T326-L370 HydrophobicContact CG2-CB 4.1Å |
| 327 | L | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.9 | -22.5 | 175.6 | -66.5 | 176.5 | 0 | 0 | 0 | 112.5 | L323 L390 L394 E395 L431 N434 | L323-L327 HydrophobicContact CD1-CD1 3.54Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.98Å; L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 3.49Å; L327-L390 HydrophobicContact CD1-CB 4.22Å; L327-L390 HydrophobicContact CD1-CD2 3.92Å; L327-L390 HydrophobicContact CD1-CG 3.87Å; L327-L394 HydrophobicContact CB-CD1 4.37Å; L327-L394 HydrophobicContact CD1-CD1 4.33Å; L327-L394 HydrophobicContact CD2-CD1 4.36Å; L327-E395 HydrophobicContact CD2-CG 4.23Å; L327-L431 HydrophobicContact CB-CD2 3.75Å; L327-N434 PolarHBondContact O-ND2 2.62Å |
| 328 | S | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 115.1 | L324 A325 T326 P330 Y427 H430 L431 | L324-S328 WeakPolarHBondContact O-CB 3.43Å; L324-S328 PolarHBondContact O-N 2.98Å; L324-S328 PolarHBondContact O-OG 2.73Å; A325-S328 PolarHBondContact O-N 2.94Å; T326-S328 PolarHBondContact O-N 2.73Å; S328-P330 VanDerWaalsContact O-CD 3.32Å; S328-P330 WeakPolarHBondContact O-CD 3.25Å; S328-Y427 VanDerWaalsContact OG-CB 3.28Å; S328-Y427 WeakPolarHBondContact OG-CB 3.15Å; S328-H430 WeakPolarHBondContact O-CB 3.32Å; S328-L431 WeakPolarHBondContact OG-CG 3.35Å |
| 329 | I | 93.3 | Very high | 83.6 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -60.1 | 122.7 | 175.8 | -59.5 | 167.6 | 0 | 0 | 0 | 107.7 | L290 A293 A325 T326 I331 R367 L370 N434 | L290-I329 HydrophobicContact CB-CG2 4.12Å; L290-I329 HydrophobicContact CD1-CD1 4.15Å; L290-I329 HydrophobicContact CD1-CG2 4.19Å; A293-I329 HydrophobicContact CB-CD1 3.75Å; A293-I329 HydrophobicContact CB-CG1 3.91Å; A325-I329 PolarHBondContact O-N 3.38Å; T326-I329 HydrophobicContact CG2-CD1 4.48Å; T326-I329 WeakPolarHBondContact O-CB 3.36Å; T326-I329 WeakPolarHBondContact O-CD1 3.28Å; T326-I329 VanDerWaalsContact O-CG1 3.29Å; T326-I329 WeakPolarHBondContact O-CG1 3.42Å; T326-I329 PolarHBondContact O-N 3.22Å; I329-I331 PolarHBondContact O-N 3.24Å; I329-R367 HydrophobicContact CB-CG 4.03Å; I329-R367 HydrophobicContact CD1-CG 4.36Å; I329-R367 HydrophobicContact CG2-CB 3.99Å; I329-R367 HydrophobicContact CG2-CG 4.01Å; I329-R367 WeakPolarHBondContact O-CD 3.3Å; I329-R367 PolarHBondContact O-NE 3.19Å; I329-L370 HydrophobicContact CD1-CD1 3.7Å; I329-N434 PolarHBondContact O-ND2 3.1Å |
| 330 | P | 89.5 | Confident | 82.7 | Confident | 38 Ų | 38 | 38 Ų | 38 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | trans | -49.9 | 130.4 | 177.7 | -29.6 | 36.2 | 0 | 0 | 0 | 111.5 | S328 | S328-P330 VanDerWaalsContact O-CD 3.32Å; S328-P330 WeakPolarHBondContact O-CD 3.25Å | ||
| 331 | I | 85.8 | Confident | 81.9 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.077 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73.9 | -37.6 | 179.6 | -66.5 | 161.5 | 0 | 0 | 0 | 110.6 | I329 R367 N434 L437 R438 P506 | I329-I331 PolarHBondContact O-N 3.24Å; I331-R367 VanDerWaalsContact CG1-CZ 3.49Å; I331-N434 HydrophobicContact CD1-CB 3.72Å; I331-N434 HydrophobicContact CG1-CB 4.33Å; I331-N434 WeakPolarHBondContact CG1-OD1 3.32Å; I331-N434 PolarHBondContact N-OD1 3.12Å; I331-N434 VanDerWaalsContact N-OD1 3.07Å; I331-L437 HydrophobicContact CB-CD2 3.62Å; I331-L437 HydrophobicContact CD1-CD2 4.47Å; I331-L437 HydrophobicContact CG2-CD2 3.49Å; I331-L437 VanDerWaalsContact CG2-CD2 3.49Å; I331-R438 HydrophobicContact CD1-CG 3.71Å; I331-P506 HydrophobicContact CG2-CB 3.34Å; I331-P506 HydrophobicContact CG2-CG 4.16Å |
| 332 | T | 77.1 | Confident | 81.3 | Confident | 40 Ų | 40 | 48 Ų | 48 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -70.6 | 128.7 | 170 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | L437 D479 | T332-L437 HydrophobicContact CG2-CD1 4.29Å; T332-L437 HydrophobicContact CG2-CD2 3.74Å; T332-D479 VanDerWaalsContact CG2-OD2 3.27Å; T332-D479 WeakPolarHBondContact CG2-OD2 3.46Å |
| 333 | P | 70.4 | Confident | 80.7 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | trans | -65.6 | 145.9 | 176.6 | 27.5 | -34 | 0 | 0 | 0 | 111.2 | R335 | P333-R335 HydrophobicContact CG-CG 4.33Å; P333-R335 PolarHBondContact O-N 3.3Å | ||
| 334 | E | 65.8 | Low | 79.9 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -68.7 | 62.3 | 174.5 | -71.2 | 175.4 | -133.1 | 0 | 0 | 112.2 | T336 | E334-T336 PolarHBondContact O-N 3.28Š| ||
| 335 | R | 63.7 | Low | 78.7 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | trans | -74.7 | 91 | 168.3 | -75.4 | -178.2 | 167.6 | -80 | 1.9 | 108 | P333 D337 D504 | P333-R335 HydrophobicContact CG-CG 4.33Å; P333-R335 PolarHBondContact O-N 3.3Å; R335-D337 PolarHBondContact O-N 2.79Å; R335-D504 IonicContact CZ-OD2 2.65Å; R335-D504 IonicContact NE-OD2 3.73Å; R335-D504 PolarHBondContact NE-OD2 3.43Å; R335-D504 IonicContact NH2-OD2 3.42Å; R335-D504 PolarHBondContact NH2-OD2 3.41Å | ||
| 336 | T | 64.4 | Low | 78 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -66 | 103.7 | 165.3 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | E334 I338 A339 R340 | E334-T336 PolarHBondContact O-N 3.28Å; T336-I338 PolarHBondContact O-N 3.44Å; T336-A339 WeakPolarHBondContact O-CB 3.33Å; T336-A339 PolarHBondContact O-N 2.83Å; T336-A339 WeakPolarHBondContact OG1-CB 3.2Å; T336-R340 PolarHBondContact O-N 3.19Å | ||
| 337 | D | 67.1 | Low | 77.5 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.5 | -22 | 173.1 | -74.2 | -20.4 | 0 | 0 | 0 | 111.7 | R335 R340 L341 R476 | R335-D337 PolarHBondContact O-N 2.79Å; D337-R340 PolarHBondContact O-N 2.59Å; D337-L341 VanDerWaalsContact O-CB 3.25Å; D337-L341 WeakPolarHBondContact O-CB 3.22Å; D337-L341 PolarHBondContact O-N 2.74Å; D337-R476 IonicContact OD2-CZ 3.75Å; D337-R476 IonicContact OD2-NE 3.95Å; D337-R476 PolarHBondContact OD2-NE 3.17Å; D337-R476 IonicContact OD2-NH2 3.89Å; D337-R476 PolarHBondContact OD2-NH2 3.04Å |
| 338 | I | 72.8 | Confident | 77 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 170.3 | -54.6 | 172.5 | 0 | 0 | 0 | 112.1 | T336 R340 L341 L342 | T336-I338 PolarHBondContact O-N 3.44Å; I338-R340 VanDerWaalsContact C-N 3.27Å; I338-R340 PolarHBondContact O-N 3.45Å; I338-L341 PolarHBondContact O-N 3.23Å; I338-L342 HydrophobicContact CG2-CD1 3.96Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 WeakPolarHBondContact O-CD1 3.48Å; I338-L342 VanDerWaalsContact O-CG 3.23Å; I338-L342 WeakPolarHBondContact O-CG 3.18Å; I338-L342 PolarHBondContact O-N 3.48Å; I338-L342 VanDerWaalsContact O-N 3.08Å |
| 339 | A | 70.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 75 Ų | 75 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | T336 L342 D343 M344 I348 | T336-A339 WeakPolarHBondContact O-CB 3.33Å; T336-A339 PolarHBondContact O-N 2.83Å; T336-A339 WeakPolarHBondContact OG1-CB 3.2Å; A339-L342 CarbonylContact O-C 3.6Å; A339-L342 PolarHBondContact O-N 3.47Å; A339-D343 PolarHBondContact O-N 2.73Å; A339-M344 PolarHBondContact O-N 2.87Å; A339-I348 HydrophobicContact CB-CD1 4.15Å |
| 340 | R | 71.5 | Confident | 76.1 | Confident | 146 Ų | 146 | 81 Ų | 81 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.4 | -35.9 | 176.4 | -160 | 173.5 | -159.7 | -149.7 | -3.3 | 113.2 | T336 D337 I338 L342 D343 D345 | T336-R340 PolarHBondContact O-N 3.19Å; D337-R340 PolarHBondContact O-N 2.59Å; I338-R340 VanDerWaalsContact C-N 3.27Å; I338-R340 PolarHBondContact O-N 3.45Å; R340-L342 PolarHBondContact O-N 3.28Å; R340-D343 PolarHBondContact O-N 3.28Å; R340-D345 WeakPolarHBondContact CA-OD1 3.31Å; R340-D345 WeakPolarHBondContact CB-OD1 3.41Å; R340-D345 IonicContact NE-OD2 3.91Å |
| 341 | L | 76.3 | Confident | 76 | Confident | 147 Ų | 147 | 83.9 Ų | 83.9 | 77% | 0.77 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.3 | -19.3 | 172.6 | -177 | 63.2 | 0 | 0 | 0 | 112.7 | D337 I338 | D337-L341 VanDerWaalsContact O-CB 3.25Å; D337-L341 WeakPolarHBondContact O-CB 3.22Å; D337-L341 PolarHBondContact O-N 2.74Å; I338-L341 PolarHBondContact O-N 3.23Å |
| 342 | L | 80.8 | Confident | 76.1 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 5.5 | 175.8 | -66.1 | 169.9 | 0 | 0 | 0 | 112.8 | I338 A339 R340 M344 | I338-L342 HydrophobicContact CG2-CD1 3.96Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 WeakPolarHBondContact O-CD1 3.48Å; I338-L342 VanDerWaalsContact O-CG 3.23Å; I338-L342 WeakPolarHBondContact O-CG 3.18Å; I338-L342 PolarHBondContact O-N 3.48Å; I338-L342 VanDerWaalsContact O-N 3.08Å; A339-L342 CarbonylContact O-C 3.6Å; A339-L342 PolarHBondContact O-N 3.47Å; R340-L342 PolarHBondContact O-N 3.28Å; L342-M344 HydrophobicContact CB-CB 4.46Å; L342-M344 HydrophobicContact CB-CG 4.08Å; L342-M344 VanDerWaalsContact O-CE 3.31Å; L342-M344 WeakPolarHBondContact O-CE 3.49Å; L342-M344 WeakPolarHBondContact O-CG 3.33Å; L342-M344 PolarHBondContact O-N 2.99Å; L342-M344 VanDerWaalsContact O-N 3.15Å |
| 343 | D | 80.8 | Confident | 76.7 | Confident | 146 Ų | 146 | 90 Ų | 90 | 78% | 0.781 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 22.5 | -173.4 | -64.6 | -49.3 | 0 | 0 | 0 | 115 | A339 R340 | A339-D343 PolarHBondContact O-N 2.73Å; R340-D343 PolarHBondContact O-N 3.28Å |
| 344 | M | 77.2 | Confident | 77.6 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | trans | -98.1 | 25 | -175.4 | -68.1 | -58.4 | 111 | 0 | 0 | 114 | A339 L342 G346 I347 | A339-M344 PolarHBondContact O-N 2.87Å; L342-M344 HydrophobicContact CB-CB 4.46Å; L342-M344 HydrophobicContact CB-CG 4.08Å; L342-M344 VanDerWaalsContact O-CE 3.31Å; L342-M344 WeakPolarHBondContact O-CE 3.49Å; L342-M344 WeakPolarHBondContact O-CG 3.33Å; L342-M344 PolarHBondContact O-N 2.99Å; L342-M344 VanDerWaalsContact O-N 3.15Å; M344-G346 PolarHBondContact O-N 2.88Å; M344-I347 HydrophobicContact CB-CD1 3.86Å; M344-I347 HydrophobicContact CB-CG1 4.17Å; M344-I347 HydrophobicContact CG-CD1 3.99Å; M344-I347 WeakPolarHBondContact O-CB 3.16Å; M344-I347 PolarHBondContact O-N 2.78Å; M344-I347 HydrophobicContact SD-CD1 3.79Å | ||
| 345 | D | 69.3 | Low | 78.8 | Confident | 72 Ų | 72 | 90.5 Ų | 90.5 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30.6 | -173.2 | -91 | -5.6 | 0 | 0 | 0 | 114 | R340 I347 | R340-D345 WeakPolarHBondContact CA-OD1 3.31Å; R340-D345 WeakPolarHBondContact CB-OD1 3.41Å; R340-D345 IonicContact NE-OD2 3.91Å; D345-I347 PolarHBondContact O-N 3.29Å |
| 346 | G | 80.1 | Confident | 80.2 | Confident | 48 Ų | 48 | 86 Ų | 86 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.9 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M344 I348 V349 E350 | M344-G346 PolarHBondContact O-N 2.88Å; G346-I348 VanDerWaalsContact C-N 3.27Å; G346-I348 PolarHBondContact O-N 3.09Å; G346-V349 PolarHBondContact O-N 3.04Å; G346-V349 VanDerWaalsContact O-N 3.17Å; G346-E350 PolarHBondContact O-N 3.18Å |
| 347 | I | 84.6 | Confident | 81.5 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.2 | -32.7 | -171.7 | -63.1 | -171.1 | 0 | 0 | 0 | 111.8 | M344 D345 V349 E350 K351 | M344-I347 HydrophobicContact CB-CD1 3.86Å; M344-I347 HydrophobicContact CB-CG1 4.17Å; M344-I347 HydrophobicContact CG-CD1 3.99Å; M344-I347 WeakPolarHBondContact O-CB 3.16Å; M344-I347 PolarHBondContact O-N 2.78Å; M344-I347 HydrophobicContact SD-CD1 3.79Å; D345-I347 PolarHBondContact O-N 3.29Å; I347-V349 PolarHBondContact O-N 3.19Å; I347-E350 PolarHBondContact O-N 2.99Å; I347-K351 WeakPolarHBondContact O-CB 3.17Å; I347-K351 PolarHBondContact O-N 3.28Å |
| 348 | I | 81.4 | Confident | 82.5 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 179.5 | -56.5 | 177.1 | 0 | 0 | 0 | 110.4 | A339 G346 H352 | A339-I348 HydrophobicContact CB-CD1 4.15Å; G346-I348 VanDerWaalsContact C-N 3.27Å; G346-I348 PolarHBondContact O-N 3.09Å; I348-H352 WeakPolarHBondContact O-CB 3.43Å; I348-H352 PolarHBondContact O-CD2 3.07Å; I348-H352 VanDerWaalsContact O-CG 3.29Å; I348-H352 PolarHBondContact O-N 2.95Å |
| 349 | V | 83.6 | Confident | 83.4 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 111 | G346 I347 H352 R353 | G346-V349 PolarHBondContact O-N 3.04Å; G346-V349 VanDerWaalsContact O-N 3.17Å; I347-V349 PolarHBondContact O-N 3.19Å; V349-H352 PolarHBondContact O-N 3.42Å; V349-R353 WeakPolarHBondContact O-CG 3.47Å; V349-R353 PolarHBondContact O-N 2.96Å |
| 350 | E | 85.6 | Confident | 84.2 | Confident | 132 Ų | 132 | 79.9 Ų | 79.9 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 177.1 | -65.8 | -167 | 156.5 | 0 | 0 | 112.5 | G346 I347 H352 R353 R354 | G346-E350 PolarHBondContact O-N 3.18Å; I347-E350 PolarHBondContact O-N 2.99Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.17Å; E350-R353 PolarHBondContact O-N 2.82Å; E350-R354 PolarHBondContact O-N 2.81Å |
| 351 | K | 86.3 | Confident | 85 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.1 | -49.3 | 171 | -177.7 | -166.8 | 174.5 | -153.4 | 0 | 110.2 | N288 I347 R353 R354 L355 | N288-K351 PolarHBondContact OD1-NZ 3.22Å; I347-K351 WeakPolarHBondContact O-CB 3.17Å; I347-K351 PolarHBondContact O-N 3.28Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 3.17Å; K351-R354 PolarHBondContact O-N 3.17Å; K351-L355 HydrophobicContact CG-CD1 4.45Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.02Å |
| 352 | H | 87.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | -179.7 | -71.5 | -169.7 | 0 | 0 | 0 | 112.8 | F291 I348 V349 E350 A356 P364 | F291-H352 HydrophobicContact CE2-CB 4.19Å; F291-H352 AromaticContact CE2-CD2 3.82Å; F291-H352 AromaticContact CE2-CG 3.86Å; F291-H352 HydrophobicContact CZ-CB 4.04Å; F291-H352 WeakPolarHBondContact CZ-O 3.49Å; I348-H352 WeakPolarHBondContact O-CB 3.43Å; I348-H352 PolarHBondContact O-CD2 3.07Å; I348-H352 VanDerWaalsContact O-CG 3.29Å; I348-H352 PolarHBondContact O-N 2.95Å; V349-H352 PolarHBondContact O-N 3.42Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.17Å; H352-A356 VanDerWaalsContact O-CB 3.31Å; H352-A356 WeakPolarHBondContact O-CB 3.41Å; H352-A356 PolarHBondContact O-N 2.94Å; H352-P364 HydrophobicContact CB-CB 4.19Å |
| 353 | R | 90.6 | Very high | 85.9 | Confident | 147 Ų | 147 | 74.6 Ų | 74.6 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | 171.5 | -74.2 | 170.9 | 175.8 | 173.8 | -0.9 | 112.4 | V349 E350 K351 A356 T357 | V349-R353 WeakPolarHBondContact O-CG 3.47Å; V349-R353 PolarHBondContact O-N 2.96Å; E350-R353 PolarHBondContact O-N 2.82Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 3.17Å; R353-A356 PolarHBondContact O-N 2.91Å; R353-T357 PolarHBondContact O-N 2.81Å; R353-T357 PolarHBondContact O-OG1 3.03Å |
| 354 | R | 90.2 | Very high | 86.3 | Confident | 143 Ų | 143 | 70 Ų | 70 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.1 | -178 | 176.1 | 177.9 | 167.9 | -2.2 | 111.2 | E254 E350 K351 T357 L358 | E254-R354 IonicContact OE1-CZ 2.8Å; E254-R354 IonicContact OE1-NE 2.65Å; E254-R354 PolarHBondContact OE1-NE 2.82Å; E254-R354 IonicContact OE1-NH2 3.12Å; E254-R354 PolarHBondContact OE1-NH2 3.28Å; E254-R354 IonicContact OE2-CZ 2.82Å; E254-R354 IonicContact OE2-NH2 3.56Å; E254-R354 PolarHBondContact OE2-NH2 2.82Å; E350-R354 PolarHBondContact O-N 2.81Å; K351-R354 PolarHBondContact O-N 3.17Å; R354-T357 PolarHBondContact O-N 3.42Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.33Å |
| 355 | L | 90.1 | Very high | 87 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 175.6 | -68.5 | -173.9 | 0 | 0 | 0 | 111.6 | F250 F283 F291 K351 T357 L358 L359 | F250-L355 HydrophobicContact CD2-CD2 4.49Å; F250-L355 HydrophobicContact CE2-CD2 3.56Å; F250-L355 HydrophobicContact CZ-CD2 4.21Å; F283-L355 HydrophobicContact CE1-CD1 4.09Å; F283-L355 HydrophobicContact CE1-CD2 3.93Å; F283-L355 HydrophobicContact CE1-CG 4.48Å; F283-L355 HydrophobicContact CZ-CD2 4.3Å; F291-L355 HydrophobicContact CD1-CB 4.02Å; F291-L355 HydrophobicContact CD2-CB 4.45Å; F291-L355 HydrophobicContact CD2-CD1 3.8Å; F291-L355 HydrophobicContact CE1-CB 3.63Å; F291-L355 HydrophobicContact CE2-CB 4.11Å; F291-L355 HydrophobicContact CE2-CD1 3.82Å; F291-L355 HydrophobicContact CG-CB 4.42Å; F291-L355 HydrophobicContact CG-CD1 4.25Å; F291-L355 HydrophobicContact CZ-CB 3.69Å; F291-L355 HydrophobicContact CZ-CD1 4.28Å; K351-L355 HydrophobicContact CG-CD1 4.45Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.02Å; L355-T357 VanDerWaalsContact C-N 3.28Å; L355-T357 PolarHBondContact O-N 3.1Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.12Å; L355-L359 WeakPolarHBondContact O-CD1 3.24Å; L355-L359 PolarHBondContact O-N 3.48Å |
| 356 | A | 92.8 | Very high | 88 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.8 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F291 H352 R353 L358 L359 G360 V361 | F291-A356 HydrophobicContact CE1-CB 4.23Å; H352-A356 VanDerWaalsContact O-CB 3.31Å; H352-A356 WeakPolarHBondContact O-CB 3.41Å; H352-A356 PolarHBondContact O-N 2.94Å; R353-A356 PolarHBondContact O-N 2.91Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 2.9Å; A356-L359 CarbonylContact O-C 3.57Å; A356-L359 PolarHBondContact O-N 3.42Å; A356-L359 VanDerWaalsContact O-N 3.14Å; A356-G360 PolarHBondContact O-N 3.23Å; A356-V361 CarbonylContact C-O 3.28Å; A356-V361 HydrophobicContact CB-CB 4.37Å; A356-V361 PolarHBondContact O-N 3.02Å; A356-V361 VanDerWaalsContact O-O 3.07Å |
| 357 | T | 91.6 | Very high | 88.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | H257 R353 R354 L355 L359 G360 | H257-T357 PolarHBondContact CE1-O 2.88Å; R353-T357 PolarHBondContact O-N 2.81Å; R353-T357 PolarHBondContact O-OG1 3.03Å; R354-T357 PolarHBondContact O-N 3.42Å; L355-T357 VanDerWaalsContact C-N 3.28Å; L355-T357 PolarHBondContact O-N 3.1Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 2.92Å; T357-G360 WeakPolarHBondContact O-CA 3.26Å; T357-G360 PolarHBondContact O-N 2.96Å |
| 358 | L | 88.8 | Confident | 88.7 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -31.3 | 178 | -65.2 | 169.7 | 0 | 0 | 0 | 113.7 | F250 E254 H257 R354 L355 A356 G360 | F250-L358 HydrophobicContact CE2-CD1 3.62Å; F250-L358 HydrophobicContact CZ-CD1 3.64Å; E254-L358 HydrophobicContact CB-CD2 4.29Å; E254-L358 HydrophobicContact CG-CD1 3.87Å; E254-L358 HydrophobicContact CG-CD2 3.91Å; H257-L358 HydrophobicContact CB-CD2 3.75Å; H257-L358 WeakPolarHBondContact ND1-CA 3.42Å; H257-L358 PolarHBondContact ND1-O 3.26Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.33Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.12Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 2.9Å; L358-G360 PolarHBondContact O-N 2.85Å |
| 359 | L | 90.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 2.1 | 169.7 | -72 | 80.3 | 0 | 0 | 0 | 113.3 | F283 F291 C294 T295 L355 A356 T357 V361 | F283-L359 HydrophobicContact CE2-CD1 3.64Å; F283-L359 HydrophobicContact CE2-CD2 4.46Å; F283-L359 HydrophobicContact CE2-CG 4.29Å; F283-L359 HydrophobicContact CZ-CD1 3.7Å; F291-L359 HydrophobicContact CD1-CD1 3.88Å; F291-L359 HydrophobicContact CD1-CD2 4.24Å; F291-L359 HydrophobicContact CE1-CD1 4.44Å; C294-L359 HydrophobicContact CB-CD2 3.88Å; T295-L359 HydrophobicContact CG2-CD2 3.61Å; T295-L359 HydrophobicContact CG2-CG 4.02Å; L355-L359 WeakPolarHBondContact O-CD1 3.24Å; L355-L359 PolarHBondContact O-N 3.48Å; A356-L359 CarbonylContact O-C 3.57Å; A356-L359 PolarHBondContact O-N 3.42Å; A356-L359 VanDerWaalsContact O-N 3.14Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 2.92Å; L359-V361 VanDerWaalsContact C-N 3.28Å; L359-V361 HydrophobicContact CB-CG2 3.87Å; L359-V361 PolarHBondContact O-N 3.1Å |
| 360 | G | 87.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 27.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R298 A356 T357 L358 | R298-G360 PolarHBondContact NH2-O 3.44Å; A356-G360 PolarHBondContact O-N 3.23Å; T357-G360 WeakPolarHBondContact O-CA 3.26Å; T357-G360 PolarHBondContact O-N 2.96Å; L358-G360 PolarHBondContact O-N 2.85Å |
| 361 | V | 89.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | trans | -105.7 | 125.6 | 177.7 | -166.7 | 0 | 0 | 0 | 0 | 108.8 | A356 L359 S363 | A356-V361 CarbonylContact C-O 3.28Å; A356-V361 HydrophobicContact CB-CB 4.37Å; A356-V361 PolarHBondContact O-N 3.02Å; A356-V361 VanDerWaalsContact O-O 3.07Å; L359-V361 VanDerWaalsContact C-N 3.28Å; L359-V361 HydrophobicContact CB-CG2 3.87Å; L359-V361 PolarHBondContact O-N 3.1Å; V361-S363 WeakPolarHBondContact CG1-O 3.22Å | ||
| 362 | Q | 86.5 | Confident | 90.2 | Very high | 191 Ų | 191 | 56.7 Ų | 56.7 | 89% | 0.893 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -72.8 | -29.1 | -173.9 | -65.2 | -64.8 | -30.1 | 0 | 0 | 113.4 | ||
| 363 | S | 88.7 | Confident | 90.2 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -113.5 | 147.5 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | V361 | V361-S363 WeakPolarHBondContact CG1-O 3.22Š|
| 364 | P | 90.1 | Very high | 90.2 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | trans | -58.5 | 131.1 | 168 | 26.5 | -33.2 | 0 | 0 | 0 | 109.7 | H352 | H352-P364 HydrophobicContact CB-CB 4.19Š| ||
| 365 | P | 91.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | trans | -66.8 | 153.5 | 176.5 | 29.4 | -35.2 | 0 | 0 | 0 | 110.3 | L290 F291 C294 L370 | L290-P365 HydrophobicContact CD1-CB 4.46Å; L290-P365 HydrophobicContact CD1-CG 4.45Å; L290-P365 HydrophobicContact CG-CG 4.35Å; F291-P365 HydrophobicContact CD1-CG 4.24Å; F291-P365 HydrophobicContact CE1-CG 3.88Å; F291-P365 HydrophobicContact CZ-CG 4.27Å; C294-P365 HydrophobicContact CB-CB 4.38Å; C294-P365 HydrophobicContact CB-CG 4.08Å; P365-L370 HydrophobicContact CB-CD1 4.36Å; P365-L370 HydrophobicContact CB-CD2 4.39Å; P365-L370 HydrophobicContact CB-CG 4.31Å | ||
| 366 | T | 90.2 | Very high | 90.1 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | trans | -121.5 | 160.7 | 169.6 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | Q368 S369 L370 | T366-Q368 PolarHBondContact O-N 2.93Å; T366-S369 PolarHBondContact N-OG 3.29Å; T366-S369 PolarHBondContact O-N 3.49Å; T366-S369 VanDerWaalsContact O-N 3.16Å; T366-S369 PolarHBondContact O-OG 3.26Å; T366-S369 VanDerWaalsContact O-OG 3.06Å; T366-S369 PolarHBondContact OG1-N 3.03Å; T366-L370 PolarHBondContact O-N 3.07Å; T366-L370 VanDerWaalsContact O-N 3.11Å | ||
| 367 | R | 90.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.9 | -44.6 | 175.1 | -173.9 | 175.6 | -173.5 | -77 | -4.9 | 111.2 | I329 I331 I371 E395 | I329-R367 HydrophobicContact CB-CG 4.03Å; I329-R367 HydrophobicContact CD1-CG 4.36Å; I329-R367 HydrophobicContact CG2-CB 3.99Å; I329-R367 HydrophobicContact CG2-CG 4.01Å; I329-R367 WeakPolarHBondContact O-CD 3.3Å; I329-R367 PolarHBondContact O-NE 3.19Å; I331-R367 VanDerWaalsContact CG1-CZ 3.49Å; R367-I371 HydrophobicContact CG-CD1 4Å; R367-I371 VanDerWaalsContact O-CG1 3.3Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 2.93Å; R367-I371 VanDerWaalsContact O-N 3.13Å; R367-E395 IonicContact CZ-OE1 2.7Å; R367-E395 VanDerWaalsContact CZ-OE1 3.24Å; R367-E395 VanDerWaalsContact NH1-CD 3.32Å; R367-E395 IonicContact NH1-OE1 2.75Å; R367-E395 PolarHBondContact NH1-OE1 3.31Å; R367-E395 IonicContact NH1-OE2 2.83Å; R367-E395 PolarHBondContact NH1-OE2 2.96Å; R367-E395 IonicContact NH2-OE1 3.19Å; R367-E395 PolarHBondContact NH2-OE1 3.22Å |
| 368 | Q | 88.9 | Confident | 89.5 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.6 | -65.5 | 176 | 6.7 | 0 | 0 | 112.8 | T366 L370 I371 N372 | T366-Q368 PolarHBondContact O-N 2.93Å; Q368-L370 PolarHBondContact O-N 3.29Å; Q368-I371 PolarHBondContact O-N 2.92Å; Q368-N372 WeakPolarHBondContact O-CB 3.49Å; Q368-N372 PolarHBondContact O-N 3.39Å; Q368-N372 PolarHBondContact O-ND2 3.04Å |
| 369 | S | 91.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 179.7 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | T366 N372 D373 | T366-S369 PolarHBondContact N-OG 3.29Å; T366-S369 PolarHBondContact O-N 3.49Å; T366-S369 VanDerWaalsContact O-N 3.16Å; T366-S369 PolarHBondContact O-OG 3.26Å; T366-S369 VanDerWaalsContact O-OG 3.06Å; T366-S369 PolarHBondContact OG1-N 3.03Å; S369-N372 PolarHBondContact O-N 3.01Å; S369-D373 WeakPolarHBondContact O-CB 3.47Å; S369-D373 PolarHBondContact O-N 3.18Å |
| 370 | L | 92.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 177.5 | -65.5 | 174.7 | 0 | 0 | 0 | 112.2 | L290 A293 C294 H297 T326 I329 P365 T366 Q368 D373 M374 | L290-L370 HydrophobicContact CD1-CD1 3.96Å; A293-L370 HydrophobicContact CB-CD1 4.15Å; C294-L370 HydrophobicContact CB-CD1 4.25Å; C294-L370 HydrophobicContact CB-CD2 4.26Å; H297-L370 PolarHBondContact CE1-O 3.24Å; T326-L370 HydrophobicContact CG2-CB 4.1Å; I329-L370 HydrophobicContact CD1-CD1 3.7Å; P365-L370 HydrophobicContact CB-CD1 4.36Å; P365-L370 HydrophobicContact CB-CD2 4.39Å; P365-L370 HydrophobicContact CB-CG 4.31Å; T366-L370 PolarHBondContact O-N 3.07Å; T366-L370 VanDerWaalsContact O-N 3.11Å; Q368-L370 PolarHBondContact O-N 3.29Å; L370-D373 PolarHBondContact O-N 3.04Å; L370-M374 WeakPolarHBondContact O-CB 3.35Å; L370-M374 PolarHBondContact O-N 3.34Å |
| 371 | I | 92.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 173.7 | -71 | 167.8 | 0 | 0 | 0 | 111.1 | R367 Q368 D373 M374 V375 Y391 E395 | R367-I371 HydrophobicContact CG-CD1 4Å; R367-I371 VanDerWaalsContact O-CG1 3.3Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 2.93Å; R367-I371 VanDerWaalsContact O-N 3.13Å; Q368-I371 PolarHBondContact O-N 2.92Å; I371-D373 PolarHBondContact O-N 3.3Å; I371-M374 WeakPolarHBondContact O-CB 3.43Å; I371-M374 PolarHBondContact O-N 2.95Å; I371-V375 PolarHBondContact O-N 3.32Å; I371-V375 VanDerWaalsContact O-N 3.12Å; I371-Y391 HydrophobicContact CG2-CD2 4.44Å; I371-Y391 HydrophobicContact CG2-CE2 3.69Å; I371-E395 HydrophobicContact CD1-CG 4.35Å |
| 372 | N | 91.1 | Very high | 89.5 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 57% | 0.572 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 177 | -70.2 | -18 | 0 | 0 | 0 | 111.9 | Q368 S369 V375 R376 | Q368-N372 WeakPolarHBondContact O-CB 3.49Å; Q368-N372 PolarHBondContact O-N 3.39Å; Q368-N372 PolarHBondContact O-ND2 3.04Å; S369-N372 PolarHBondContact O-N 3.01Å; N372-V375 PolarHBondContact O-N 3.24Å; N372-R376 VanDerWaalsContact O-CB 3.24Å; N372-R376 WeakPolarHBondContact O-CB 3.24Å; N372-R376 PolarHBondContact O-N 3.29Å |
| 373 | D | 89.6 | Confident | 89.7 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 173.4 | -81.9 | -26.5 | 0 | 0 | 0 | 111.9 | S369 L370 I371 V375 R376 F377 | S369-D373 WeakPolarHBondContact O-CB 3.47Å; S369-D373 PolarHBondContact O-N 3.18Å; L370-D373 PolarHBondContact O-N 3.04Å; I371-D373 PolarHBondContact O-N 3.3Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 2.84Å; D373-R376 PolarHBondContact O-N 3.36Å; D373-F377 HydrophobicContact CB-CD2 4.13Å; D373-F377 HydrophobicContact CB-CE2 3.9Å; D373-F377 WeakPolarHBondContact O-CB 3.47Å; D373-F377 WeakPolarHBondContact O-CD2 3.31Å; D373-F377 WeakPolarHBondContact O-CG 3.29Å; D373-F377 PolarHBondContact O-N 3.14Å |
| 374 | M | 89.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 177.9 | 179 | 177.4 | 68.4 | 0 | 0 | 112 | L323 L370 I371 N378 L379 Y391 | L323-M374 HydrophobicContact CB-SD 4.29Å; L323-M374 HydrophobicContact CD1-CE 3.62Å; L323-M374 HydrophobicContact CD1-SD 3.44Å; L323-M374 WeakPolarHBondContact CD1-SD 3.42Å; L323-M374 HydrophobicContact CG-SD 4.48Å; L370-M374 WeakPolarHBondContact O-CB 3.35Å; L370-M374 PolarHBondContact O-N 3.34Å; I371-M374 WeakPolarHBondContact O-CB 3.43Å; I371-M374 PolarHBondContact O-N 2.95Å; M374-N378 PolarHBondContact O-N 3.01Å; M374-L379 HydrophobicContact CB-CD1 4.34Å; M374-L379 HydrophobicContact CG-CB 3.75Å; M374-L379 HydrophobicContact CG-CD1 3.97Å; M374-L379 HydrophobicContact CG-CG 4.48Å; M374-L379 PolarHBondContact O-N 3Å; M374-Y391 HydrophobicContact CE-CD2 3.76Å; M374-Y391 HydrophobicContact CE-CE2 4.35Å; M374-Y391 HydrophobicContact CE-CG 4.26Å |
| 375 | V | 88.3 | Confident | 89.8 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | I371 N372 D373 F377 N378 Y391 | I371-V375 PolarHBondContact O-N 3.32Å; I371-V375 VanDerWaalsContact O-N 3.12Å; N372-V375 PolarHBondContact O-N 3.24Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 2.84Å; V375-F377 VanDerWaalsContact C-N 3.25Å; V375-F377 PolarHBondContact O-N 3.43Å; V375-N378 PolarHBondContact O-N 2.86Å; V375-Y391 HydrophobicContact CG2-CE1 4.18Å; V375-Y391 HydrophobicContact CG2-CE2 4.21Å |
| 376 | R | 89.6 | Confident | 89.6 | Confident | 187 Ų | 187 | 60.2 Ų | 60.2 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.9 | -33.8 | 179.7 | -176 | -176.8 | -179.1 | -163.4 | 1.9 | 113.5 | N372 D373 N378 | N372-R376 VanDerWaalsContact O-CB 3.24Å; N372-R376 WeakPolarHBondContact O-CB 3.24Å; N372-R376 PolarHBondContact O-N 3.29Å; D373-R376 PolarHBondContact O-N 3.36Å; R376-N378 VanDerWaalsContact C-N 3.35Å |
| 377 | F | 84.9 | Confident | 89.6 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.7 | 177.4 | -63.6 | -52.6 | 0 | 0 | 0 | 114.3 | D373 V375 L379 | D373-F377 HydrophobicContact CB-CD2 4.13Å; D373-F377 HydrophobicContact CB-CE2 3.9Å; D373-F377 WeakPolarHBondContact O-CB 3.47Å; D373-F377 WeakPolarHBondContact O-CD2 3.31Å; D373-F377 WeakPolarHBondContact O-CG 3.29Å; D373-F377 PolarHBondContact O-N 3.14Å; V375-F377 VanDerWaalsContact C-N 3.25Å; V375-F377 PolarHBondContact O-N 3.43Å; F377-L379 PolarHBondContact O-N 3.38Å |
| 378 | N | 87.9 | Confident | 89.6 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.2 | 179.8 | -75.2 | -43.5 | 0 | 0 | 0 | 114.5 | M374 V375 R376 L380 Q381 | M374-N378 PolarHBondContact O-N 3.01Å; V375-N378 PolarHBondContact O-N 2.86Å; R376-N378 VanDerWaalsContact C-N 3.35Å; N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 VanDerWaalsContact O-N 3.15Å; N378-Q381 HydrophobicContact CB-CG 4.26Å; N378-Q381 WeakPolarHBondContact O-CB 3.43Å; N378-Q381 PolarHBondContact O-N 3.38Å |
| 379 | L | 88.3 | Confident | 89.7 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -54.1 | -36.9 | -178.4 | -104.5 | 150.1 | 0 | 0 | 0 | 112.7 | Y300 V322 M374 F377 Q381 Y382 V383 | Y300-L379 HydrophobicContact CD1-CD1 4.05Å; Y300-L379 HydrophobicContact CD1-CD2 4.07Å; Y300-L379 HydrophobicContact CD1-CG 4.2Å; Y300-L379 HydrophobicContact CD2-CD2 4.17Å; Y300-L379 HydrophobicContact CE1-CD1 3.86Å; Y300-L379 HydrophobicContact CE1-CD2 3.61Å; Y300-L379 HydrophobicContact CE1-CG 3.57Å; Y300-L379 HydrophobicContact CE2-CD2 3.73Å; Y300-L379 HydrophobicContact CG-CD2 4.33Å; Y300-L379 VanDerWaalsContact CZ-CD2 3.42Å; V322-L379 HydrophobicContact CB-CD2 4.39Å; V322-L379 HydrophobicContact CG1-CD1 3.82Å; V322-L379 HydrophobicContact CG1-CD2 4.26Å; M374-L379 HydrophobicContact CB-CD1 4.34Å; M374-L379 HydrophobicContact CG-CB 3.75Å; M374-L379 HydrophobicContact CG-CD1 3.97Å; M374-L379 HydrophobicContact CG-CG 4.48Å; M374-L379 PolarHBondContact O-N 3Å; F377-L379 PolarHBondContact O-N 3.38Å; L379-Q381 PolarHBondContact O-N 2.86Å; L379-Y382 PolarHBondContact O-N 3.43Å; L379-V383 WeakPolarHBondContact O-CG2 2.91Å; L379-V383 PolarHBondContact O-N 2.94Å |
| 380 | L | 87.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -59.4 | -13 | 178.1 | -60.1 | 170.5 | 0 | 0 | 0 | 114.8 | L323 N378 K388 Y391 | L323-L380 HydrophobicContact CD1-CD2 4.18Å; L323-L380 HydrophobicContact CD2-CD2 4.43Å; N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 VanDerWaalsContact O-N 3.15Å; L380-K388 WeakPolarHBondContact O-CD 3.35Å; L380-K388 WeakPolarHBondContact O-CE 3.19Å; L380-K388 PolarHBondContact O-NZ 2.82Å; L380-K388 VanDerWaalsContact O-NZ 3.11Å; L380-Y391 HydrophobicContact CD1-CD1 3.6Å; L380-Y391 HydrophobicContact CD1-CE1 4.04Å; L380-Y391 HydrophobicContact CD1-CG 4.25Å; L380-Y391 HydrophobicContact CD2-CD1 4.44Å; L380-Y391 HydrophobicContact CD2-CG 4.38Å |
| 381 | Q | 89.4 | Confident | 89.7 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -74.8 | -32.3 | 172 | -65.7 | -179.1 | -5.1 | 0 | 0 | 112.3 | N378 L379 | N378-Q381 HydrophobicContact CB-CG 4.26Å; N378-Q381 WeakPolarHBondContact O-CB 3.43Å; N378-Q381 PolarHBondContact O-N 3.38Å; L379-Q381 PolarHBondContact O-N 2.86Å |
| 382 | Y | 89.4 | Confident | 89.7 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -101.2 | 5.3 | -175.3 | -54.5 | -86.2 | 0 | 0 | 0 | 112.4 | M315 Q316 S319 L379 | M315-Y382 HydrophobicContact CG-CD1 3.81Å; M315-Y382 HydrophobicContact CG-CG 4.04Å; Q316-Y382 WeakPolarHBondContact CA-O 3.37Å; Q316-Y382 VanDerWaalsContact CG-O 3.3Å; Q316-Y382 WeakPolarHBondContact CG-O 3.28Å; S319-Y382 WeakPolarHBondContact CB-O 2.96Å; S319-Y382 WeakPolarHBondContact OG-CB 3.38Å; L379-Y382 PolarHBondContact O-N 3.43Å |
| 383 | V | 92.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -85 | 138.1 | 177.3 | 167.3 | 0 | 0 | 0 | 0 | 110.5 | T320 L323 L379 V387 K388 | T320-V383 HydrophobicContact CG2-CG1 4.28Å; L323-V383 HydrophobicContact CB-CG2 4.27Å; L323-V383 HydrophobicContact CD2-CB 4.38Å; L323-V383 HydrophobicContact CD2-CG1 3.51Å; L323-V383 HydrophobicContact CD2-CG2 3.98Å; L379-V383 WeakPolarHBondContact O-CG2 2.91Å; L379-V383 PolarHBondContact O-N 2.94Å; V383-V387 HydrophobicContact CG1-CG2 3.76Å; V383-K388 HydrophobicContact CG1-CB 3.95Å |
| 384 | V | 90.9 | Very high | 89.7 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | trans | -56.3 | 130.2 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | Q316 T320 E386 V387 K388 W413 | Q316-V384 HydrophobicContact CB-CG2 4.01Å; Q316-V384 HydrophobicContact CG-CG2 4.31Å; T320-V384 HydrophobicContact CG2-CB 3.7Å; T320-V384 HydrophobicContact CG2-CG2 3.58Å; V384-E386 VanDerWaalsContact C-N 3.29Å; V384-E386 VanDerWaalsContact CG1-OE2 3.28Å; V384-E386 WeakPolarHBondContact CG1-OE2 3.13Å; V384-E386 PolarHBondContact O-N 3.11Å; V384-E386 VanDerWaalsContact O-N 3.14Å; V384-V387 HydrophobicContact CB-CG2 4.1Å; V384-V387 WeakPolarHBondContact O-CG2 3.35Å; V384-V387 PolarHBondContact O-N 3.42Å; V384-V387 VanDerWaalsContact O-N 3.15Å; V384-K388 PolarHBondContact O-N 3.39Å; V384-W413 HydrophobicContact CB-CH2 4.3Å; V384-W413 HydrophobicContact CG1-CH2 3.61Å; V384-W413 HydrophobicContact CG1-CZ2 3.52Å | ||
| 385 | P | 88.6 | Confident | 89.7 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.6 | -33 | -163 | 17.3 | -28.8 | 0 | 0 | 0 | 114.8 | V387 K388 | P385-V387 VanDerWaalsContact C-N 3.32Å; P385-V387 PolarHBondContact O-N 2.77Å; P385-K388 WeakPolarHBondContact O-CB 3.24Å; P385-K388 PolarHBondContact O-N 3.45Å; P385-K388 VanDerWaalsContact O-N 3.16Å |
| 386 | E | 88.8 | Confident | 89.8 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -31.5 | -179.6 | -62 | 97.7 | 126.2 | 0 | 0 | 113.8 | V384 V410 W413 | V384-E386 VanDerWaalsContact C-N 3.29Å; V384-E386 VanDerWaalsContact CG1-OE2 3.28Å; V384-E386 WeakPolarHBondContact CG1-OE2 3.13Å; V384-E386 PolarHBondContact O-N 3.11Å; V384-E386 VanDerWaalsContact O-N 3.14Å; E386-V410 WeakPolarHBondContact O-CG2 3.2Å; E386-W413 HydrophobicContact CB-CD2 4.05Å; E386-W413 HydrophobicContact CB-CG 4.35Å; E386-W413 HydrophobicContact CB-CZ2 3.87Å; E386-W413 HydrophobicContact CG-CZ2 4.22Å; E386-W413 PolarHBondContact OE1-NE1 3.22Å |
| 387 | V | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -94.6 | -9.4 | 174.9 | -75.3 | 0 | 0 | 0 | 0 | 112.9 | T320 L324 V383 V384 P385 E389 L390 V410 W413 V414 | T320-V387 HydrophobicContact CG2-CG2 3.72Å; L324-V387 HydrophobicContact CD2-CG1 4.27Å; V383-V387 HydrophobicContact CG1-CG2 3.76Å; V384-V387 HydrophobicContact CB-CG2 4.1Å; V384-V387 WeakPolarHBondContact O-CG2 3.35Å; V384-V387 PolarHBondContact O-N 3.42Å; V384-V387 VanDerWaalsContact O-N 3.15Å; P385-V387 VanDerWaalsContact C-N 3.32Å; P385-V387 PolarHBondContact O-N 2.77Å; V387-E389 PolarHBondContact O-N 3.31Å; V387-L390 WeakPolarHBondContact O-CB 3.42Å; V387-L390 PolarHBondContact O-N 2.88Å; V387-V410 HydrophobicContact CB-CG1 4.38Å; V387-V410 HydrophobicContact CG1-CG1 3.55Å; V387-W413 HydrophobicContact CG1-CE3 3.98Å; V387-W413 HydrophobicContact CG1-CH2 4.31Å; V387-W413 HydrophobicContact CG1-CZ3 3.59Å; V387-W413 HydrophobicContact CG2-CH2 4.44Å; V387-W413 HydrophobicContact CG2-CZ3 4.46Å; V387-V414 HydrophobicContact CG1-CG2 4.35Å |
| 388 | K | 89.5 | Confident | 90.1 | Very high | 87 Ų | 87 | 50 Ų | 50 | 38% | 0.378 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | -172.9 | -177.4 | 172 | 173.1 | 160.5 | 0 | 114.1 | L380 V383 V384 P385 L390 | L380-K388 WeakPolarHBondContact O-CD 3.35Å; L380-K388 WeakPolarHBondContact O-CE 3.19Å; L380-K388 PolarHBondContact O-NZ 2.82Å; L380-K388 VanDerWaalsContact O-NZ 3.11Å; V383-K388 HydrophobicContact CG1-CB 3.95Å; V384-K388 PolarHBondContact O-N 3.39Å; P385-K388 WeakPolarHBondContact O-CB 3.24Å; P385-K388 PolarHBondContact O-N 3.45Å; P385-K388 VanDerWaalsContact O-N 3.16Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.93Å |
| 389 | E | 90.2 | Very high | 90.2 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13.2 | 178.6 | -69.1 | -165.5 | -160.1 | 0 | 0 | 113.8 | V387 Y391 N392 W393 | V387-E389 PolarHBondContact O-N 3.31Å; E389-Y391 PolarHBondContact O-N 3.43Å; E389-N392 WeakPolarHBondContact O-CB 3.09Å; E389-N392 PolarHBondContact O-N 2.74Å; E389-W393 HydrophobicContact CB-CD2 4.22Å; E389-W393 VanDerWaalsContact CB-CE2 3.49Å; E389-W393 HydrophobicContact CB-CH2 4.27Å; E389-W393 HydrophobicContact CB-CZ2 3.53Å; E389-W393 HydrophobicContact CG-CZ2 4.36Å; E389-W393 PolarHBondContact O-N 3.48Å; E389-W393 VanDerWaalsContact OE2-CZ2 3.3Å; E389-W393 WeakPolarHBondContact OE2-CZ2 3.31Å; E389-W393 PolarHBondContact OE2-NE1 3.28Å |
| 390 | L | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -34.7 | -176.3 | -171.6 | 65.5 | 0 | 0 | 0 | 112.7 | L324 L327 V387 K388 W393 L394 V407 V410 | L324-L390 HydrophobicContact CD2-CD2 3.78Å; L327-L390 HydrophobicContact CD1-CB 4.22Å; L327-L390 HydrophobicContact CD1-CD2 3.92Å; L327-L390 HydrophobicContact CD1-CG 3.87Å; V387-L390 WeakPolarHBondContact O-CB 3.42Å; V387-L390 PolarHBondContact O-N 2.88Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.93Å; L390-W393 HydrophobicContact CD1-CE3 4.18Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.4Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 WeakPolarHBondContact O-CG 3.05Å; L390-L394 PolarHBondContact O-N 2.86Å; L390-L394 VanDerWaalsContact O-N 3.14Å; L390-V407 HydrophobicContact CD1-CB 4.42Å; L390-V407 HydrophobicContact CD1-CG1 4.1Å; L390-V407 HydrophobicContact CD1-CG2 3.81Å; L390-V410 HydrophobicContact CD2-CG1 4.35Å |
| 391 | Y | 92.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 172.5 | 164.3 | -105.2 | 0 | 0 | 0 | 111.9 | I371 M374 V375 L380 E389 W393 L394 E395 V396 | I371-Y391 HydrophobicContact CG2-CD2 4.44Å; I371-Y391 HydrophobicContact CG2-CE2 3.69Å; M374-Y391 HydrophobicContact CE-CD2 3.76Å; M374-Y391 HydrophobicContact CE-CE2 4.35Å; M374-Y391 HydrophobicContact CE-CG 4.26Å; V375-Y391 HydrophobicContact CG2-CE1 4.18Å; V375-Y391 HydrophobicContact CG2-CE2 4.21Å; L380-Y391 HydrophobicContact CD1-CD1 3.6Å; L380-Y391 HydrophobicContact CD1-CE1 4.04Å; L380-Y391 HydrophobicContact CD1-CG 4.25Å; L380-Y391 HydrophobicContact CD2-CD1 4.44Å; L380-Y391 HydrophobicContact CD2-CG 4.38Å; E389-Y391 PolarHBondContact O-N 3.43Å; Y391-W393 VanDerWaalsContact C-N 3.34Å; Y391-W393 PolarHBondContact O-N 2.93Å; Y391-L394 PolarHBondContact O-N 3.21Å; Y391-E395 HydrophobicContact CD2-CB 4.3Å; Y391-E395 HydrophobicContact CD2-CG 4.08Å; Y391-E395 HydrophobicContact CE2-CB 3.96Å; Y391-E395 HydrophobicContact CE2-CG 4.08Å; Y391-E395 PolarHBondContact O-N 3.11Å; Y391-V396 HydrophobicContact CE1-CG2 4.02Å |
| 392 | N | 91.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 179.1 | -66.3 | -11.7 | 0 | 0 | 0 | 110 | E389 L394 V396 D397 | E389-N392 WeakPolarHBondContact O-CB 3.09Å; E389-N392 PolarHBondContact O-N 2.74Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.47Å; N392-V396 CarbonylContact O-C 3.59Å; N392-V396 WeakPolarHBondContact O-CA 3.1Å; N392-V396 WeakPolarHBondContact O-CB 3.46Å; N392-V396 PolarHBondContact O-N 3.04Å; N392-D397 PolarHBondContact O-N 3.25Å |
| 393 | W | 91.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -32.4 | -176.6 | -55.1 | -17.6 | 0 | 0 | 0 | 114.2 | E389 L390 Y391 L403 R406 V407 V410 | E389-W393 HydrophobicContact CB-CD2 4.22Å; E389-W393 VanDerWaalsContact CB-CE2 3.49Å; E389-W393 HydrophobicContact CB-CH2 4.27Å; E389-W393 HydrophobicContact CB-CZ2 3.53Å; E389-W393 HydrophobicContact CG-CZ2 4.36Å; E389-W393 PolarHBondContact O-N 3.48Å; E389-W393 VanDerWaalsContact OE2-CZ2 3.3Å; E389-W393 WeakPolarHBondContact OE2-CZ2 3.31Å; E389-W393 PolarHBondContact OE2-NE1 3.28Å; L390-W393 HydrophobicContact CD1-CE3 4.18Å; Y391-W393 VanDerWaalsContact C-N 3.34Å; Y391-W393 PolarHBondContact O-N 2.93Å; W393-L403 HydrophobicContact CB-CD1 3.99Å; W393-L403 VanDerWaalsContact O-CD1 3.23Å; W393-L403 WeakPolarHBondContact O-CD1 3.45Å; W393-R406 HydrophobicContact CD2-CB 3.89Å; W393-R406 HydrophobicContact CD2-CG 4.33Å; W393-R406 HydrophobicContact CE3-CB 3.65Å; W393-R406 HydrophobicContact CH2-CB 3.97Å; W393-R406 HydrophobicContact CH2-CG 4.43Å; W393-R406 HydrophobicContact CZ2-CB 4.19Å; W393-R406 HydrophobicContact CZ2-CG 4.22Å; W393-R406 HydrophobicContact CZ3-CB 3.69Å; W393-R406 WeakPolarHBondContact CZ3-O 3.46Å; W393-V407 HydrophobicContact CE3-CG2 4.17Å; W393-V410 HydrophobicContact CH2-CG2 3.9Å; W393-V410 HydrophobicContact CZ3-CG2 3.57Å |
| 394 | L | 90.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.5 | -27.1 | -177.3 | -72.4 | 175.2 | 0 | 0 | 0 | 114.4 | L327 L390 Y391 N392 L403 R438 | L327-L394 HydrophobicContact CB-CD1 4.37Å; L327-L394 HydrophobicContact CD1-CD1 4.33Å; L327-L394 HydrophobicContact CD2-CD1 4.36Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.4Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 WeakPolarHBondContact O-CG 3.05Å; L390-L394 PolarHBondContact O-N 2.86Å; L390-L394 VanDerWaalsContact O-N 3.14Å; Y391-L394 PolarHBondContact O-N 3.21Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.47Å; L394-L403 HydrophobicContact CD2-CD1 4.32Å; L394-R438 HydrophobicContact CD2-CB 4.41Å; L394-R438 HydrophobicContact CD2-CG 4.26Å; L394-R438 PolarHBondContact O-NE 2.99Å; L394-R438 VanDerWaalsContact O-NE 3.15Å |
| 395 | E | 89.3 | Confident | 90.5 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -120.7 | -18.9 | -171.4 | -51.7 | -59.8 | 148.5 | 0 | 0 | 114.3 | L327 R367 I371 Y391 R438 | L327-E395 HydrophobicContact CD2-CG 4.23Å; R367-E395 IonicContact CZ-OE1 2.7Å; R367-E395 VanDerWaalsContact CZ-OE1 3.24Å; R367-E395 VanDerWaalsContact NH1-CD 3.32Å; R367-E395 IonicContact NH1-OE1 2.75Å; R367-E395 PolarHBondContact NH1-OE1 3.31Å; R367-E395 IonicContact NH1-OE2 2.83Å; R367-E395 PolarHBondContact NH1-OE2 2.96Å; R367-E395 IonicContact NH2-OE1 3.19Å; R367-E395 PolarHBondContact NH2-OE1 3.22Å; I371-E395 HydrophobicContact CD1-CG 4.35Å; Y391-E395 HydrophobicContact CD2-CB 4.3Å; Y391-E395 HydrophobicContact CD2-CG 4.08Å; Y391-E395 HydrophobicContact CE2-CB 3.96Å; Y391-E395 HydrophobicContact CE2-CG 4.08Å; Y391-E395 PolarHBondContact O-N 3.11Å; E395-R438 IonicContact OE1-NE 2.7Å; E395-R438 IonicContact OE1-NH2 3.53Å; E395-R438 IonicContact OE2-CZ 2.7Å; E395-R438 IonicContact OE2-NE 3.7Å; E395-R438 IonicContact OE2-NH2 2.81Å; E395-R438 PolarHBondContact OE2-NH2 3.47Å |
| 396 | V | 89.8 | Confident | 90.6 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -49.3 | -170.8 | -171.1 | 0 | 0 | 0 | 0 | 113.3 | Y391 N392 | Y391-V396 HydrophobicContact CE1-CG2 4.02Å; N392-V396 CarbonylContact O-C 3.59Å; N392-V396 WeakPolarHBondContact O-CA 3.1Å; N392-V396 WeakPolarHBondContact O-CB 3.46Å; N392-V396 PolarHBondContact O-N 3.04Å |
| 397 | D | 90.9 | Very high | 90.7 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | trans | -75.6 | 128.1 | -177.3 | -75.2 | 11.6 | 0 | 0 | 0 | 111.6 | N392 H399 R406 Q442 | N392-D397 PolarHBondContact O-N 3.25Å; D397-H399 PolarHBondContact O-N 2.8Å; D397-R406 IonicContact OD2-CZ 3.67Å; D397-R406 IonicContact OD2-NH1 2.7Å; D397-R406 PolarHBondContact OD2-NH1 2.96Å; D397-R406 IonicContact OD2-NH2 3.76Å; D397-Q442 PolarHBondContact O-NE2 2.71Å | ||
| 398 | F | 90.8 | Very high | 90.8 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | trans | -97.3 | 83.1 | 172.3 | -169 | -95.1 | 0 | 0 | 0 | 111.1 | Q442 Q445 I446 P509 L511 | F398-Q442 HydrophobicContact CD2-CB 4.39Å; F398-Q442 HydrophobicContact CD2-CG 3.85Å; F398-Q442 HydrophobicContact CE2-CB 3.97Å; F398-Q442 HydrophobicContact CE2-CG 3.86Å; F398-Q442 HydrophobicContact CZ-CB 4.4Å; F398-Q445 HydrophobicContact CE2-CB 4.28Å; F398-Q445 HydrophobicContact CZ-CB 3.98Å; F398-I446 HydrophobicContact CE1-CD1 3.59Å; F398-I446 HydrophobicContact CE1-CG1 3.77Å; F398-I446 HydrophobicContact CZ-CD1 3.98Å; F398-I446 HydrophobicContact CZ-CG1 3.8Å; F398-P509 HydrophobicContact CB-CB 4.32Å; F398-P509 HydrophobicContact CD2-CB 4.29Å; F398-P509 WeakPolarHBondContact CD2-O 2.94Å; F398-L511 HydrophobicContact CD1-CB 4.13Å; F398-L511 HydrophobicContact CD1-CD2 3.99Å; F398-L511 HydrophobicContact CD2-CB 4.25Å; F398-L511 HydrophobicContact CE1-CB 3.81Å; F398-L511 HydrophobicContact CE1-CD2 3.4Å; F398-L511 VanDerWaalsContact CE1-CD2 3.4Å; F398-L511 HydrophobicContact CE1-CG 4.21Å; F398-L511 HydrophobicContact CE2-CB 3.94Å; F398-L511 HydrophobicContact CG-CB 4.34Å; F398-L511 HydrophobicContact CZ-CB 3.72Å; F398-L511 HydrophobicContact CZ-CD2 3.96Å; F398-L511 HydrophobicContact CZ-CG 4.5Å | ||
| 399 | H | 90.6 | Very high | 90.9 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | trans | -141.7 | 63 | -169.9 | -76.3 | -8.8 | 0 | 0 | 0 | 113.2 | D397 L401 K402 L403 | D397-H399 PolarHBondContact O-N 2.8Å; H399-L401 PolarHBondContact O-N 3.01Å; H399-K402 HydrophobicContact CB-CB 4.47Å; H399-K402 PolarHBondContact O-N 3.47Å; H399-L403 PolarHBondContact O-N 3.44Å | ||
| 400 | P | 89.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -46.5 | -169.1 | 15.2 | -27.2 | 0 | 0 | 0 | 113.5 | K402 L403 L439 Q442 V443 I446 | P400-K402 PolarHBondContact O-N 2.91Å; P400-K402 VanDerWaalsContact O-N 3.08Å; P400-L403 PolarHBondContact O-N 3.42Å; P400-L439 HydrophobicContact CB-CD1 3.78Å; P400-L439 WeakPolarHBondContact O-CD1 3.49Å; P400-Q442 HydrophobicContact CB-CB 3.79Å; P400-Q442 VanDerWaalsContact CD-OE1 3.28Å; P400-Q442 HydrophobicContact CG-CB 4.05Å; P400-V443 HydrophobicContact CB-CG2 3.85Å; P400-I446 HydrophobicContact CG-CD1 3.64Å |
| 401 | L | 90.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -12.1 | -178.4 | -58.9 | 178.9 | 0 | 0 | 0 | 114.8 | H399 L458 | H399-L401 PolarHBondContact O-N 3.01Å; L401-L458 HydrophobicContact CD2-CD1 3.95Å; L401-L458 HydrophobicContact CD2-CD2 3.87Å |
| 402 | K | 91.2 | Very high | 90.8 | Very high | 135 Ų | 135 | 47.3 Ų | 47.3 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -113.8 | -18 | 178.8 | -64.9 | -179.5 | -178.9 | 175.4 | 0 | 113.1 | H399 P400 G405 R406 | H399-K402 HydrophobicContact CB-CB 4.47Å; H399-K402 PolarHBondContact O-N 3.47Å; P400-K402 PolarHBondContact O-N 2.91Å; P400-K402 VanDerWaalsContact O-N 3.08Å; K402-G405 PolarHBondContact O-N 2.76Å; K402-R406 WeakPolarHBondContact O-CB 3.15Å; K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.42Å |
| 403 | L | 91 | Very high | 90.8 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -55.4 | -173 | 178.2 | 58.2 | 0 | 0 | 0 | 112.3 | W393 L394 H399 P400 G405 R406 V407 T435 R438 L439 | W393-L403 HydrophobicContact CB-CD1 3.99Å; W393-L403 VanDerWaalsContact O-CD1 3.23Å; W393-L403 WeakPolarHBondContact O-CD1 3.45Å; L394-L403 HydrophobicContact CD2-CD1 4.32Å; H399-L403 PolarHBondContact O-N 3.44Å; P400-L403 PolarHBondContact O-N 3.42Å; L403-G405 PolarHBondContact O-N 3.34Å; L403-R406 PolarHBondContact O-N 3.25Å; L403-V407 HydrophobicContact CD1-CG2 3.94Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 2.82Å; L403-T435 HydrophobicContact CG-CG2 4.3Å; L403-R438 HydrophobicContact CD2-CB 4.1Å; L403-L439 HydrophobicContact CD2-CB 4.28Å |
| 404 | S | 89.9 | Confident | 90.8 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | R406 V407 T408 L458 | S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.29Å; S404-V407 PolarHBondContact O-N 2.82Å; S404-T408 WeakPolarHBondContact O-CB 3.49Å; S404-T408 PolarHBondContact O-N 2.97Å; S404-T408 PolarHBondContact O-OG1 3.32Å; S404-L458 WeakPolarHBondContact CB-O 3.48Å; S404-L458 PolarHBondContact OG-O 3.14Å |
| 405 | G | 90.1 | Very high | 90.7 | Very high | 39 Ų | 39 | 50 Ų | 50 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -30.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K402 L403 | K402-G405 PolarHBondContact O-N 2.76Å; L403-G405 PolarHBondContact O-N 3.34Å |
| 406 | R | 91.6 | Very high | 90.7 | Very high | 68 Ų | 68 | 55 Ų | 55 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.9 | -54.5 | 170.4 | -80.2 | 172.9 | 162.7 | -173.3 | -5.4 | 111 | W393 D397 K402 L403 S404 T408 K409 | W393-R406 HydrophobicContact CD2-CB 3.89Å; W393-R406 HydrophobicContact CD2-CG 4.33Å; W393-R406 HydrophobicContact CE3-CB 3.65Å; W393-R406 HydrophobicContact CH2-CB 3.97Å; W393-R406 HydrophobicContact CH2-CG 4.43Å; W393-R406 HydrophobicContact CZ2-CB 4.19Å; W393-R406 HydrophobicContact CZ2-CG 4.22Å; W393-R406 HydrophobicContact CZ3-CB 3.69Å; W393-R406 WeakPolarHBondContact CZ3-O 3.46Å; D397-R406 IonicContact OD2-CZ 3.67Å; D397-R406 IonicContact OD2-NH1 2.7Å; D397-R406 PolarHBondContact OD2-NH1 2.96Å; D397-R406 IonicContact OD2-NH2 3.76Å; K402-R406 WeakPolarHBondContact O-CB 3.15Å; K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.42Å; L403-R406 PolarHBondContact O-N 3.25Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.29Å; R406-T408 VanDerWaalsContact C-N 3.35Å; R406-T408 PolarHBondContact O-N 2.89Å; R406-K409 PolarHBondContact O-N 3.36Å |
| 407 | V | 92.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -177 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | L390 W393 L403 S404 K409 V410 L411 T435 | L390-V407 HydrophobicContact CD1-CB 4.42Å; L390-V407 HydrophobicContact CD1-CG1 4.1Å; L390-V407 HydrophobicContact CD1-CG2 3.81Å; W393-V407 HydrophobicContact CE3-CG2 4.17Å; L403-V407 HydrophobicContact CD1-CG2 3.94Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 2.82Å; S404-V407 PolarHBondContact O-N 2.82Å; V407-K409 PolarHBondContact O-N 3.35Å; V407-V410 PolarHBondContact O-N 3.15Å; V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CD2 4.48Å; V407-L411 HydrophobicContact CG1-CG 3.85Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.88Å; V407-T435 HydrophobicContact CB-CG2 4.02Å; V407-T435 HydrophobicContact CG1-CG2 4.08Å; V407-T435 HydrophobicContact CG2-CG2 3.99Å |
| 408 | T | 90.9 | Very high | 89.8 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.8 | -38.6 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | S404 R406 V410 L411 N412 F461 | S404-T408 WeakPolarHBondContact O-CB 3.49Å; S404-T408 PolarHBondContact O-N 2.97Å; S404-T408 PolarHBondContact O-OG1 3.32Å; R406-T408 VanDerWaalsContact C-N 3.35Å; R406-T408 PolarHBondContact O-N 2.89Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 PolarHBondContact O-N 3.35Å; T408-L411 PolarHBondContact O-N 2.97Å; T408-N412 WeakPolarHBondContact O-CB 3.26Å; T408-N412 PolarHBondContact O-N 2.69Å; T408-F461 WeakPolarHBondContact OG1-CD1 3.43Å |
| 409 | K | 91.1 | Very high | 89.2 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 71% | 0.709 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 176.8 | -66.1 | -178.6 | 179.4 | -169.8 | 0 | 111.9 | R406 V407 W413 | R406-K409 PolarHBondContact O-N 3.36Å; V407-K409 PolarHBondContact O-N 3.35Å; K409-W413 WeakPolarHBondContact O-CB 3.37Å; K409-W413 PolarHBondContact O-N 3.1Å |
| 410 | V | 91.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 179 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | E386 V387 L390 W393 V407 T408 N412 W413 V414 | E386-V410 WeakPolarHBondContact O-CG2 3.2Å; V387-V410 HydrophobicContact CB-CG1 4.38Å; V387-V410 HydrophobicContact CG1-CG1 3.55Å; L390-V410 HydrophobicContact CD2-CG1 4.35Å; W393-V410 HydrophobicContact CH2-CG2 3.9Å; W393-V410 HydrophobicContact CZ3-CG2 3.57Å; V407-V410 PolarHBondContact O-N 3.15Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 PolarHBondContact O-N 3.35Å; V410-N412 VanDerWaalsContact C-N 3.33Å; V410-N412 PolarHBondContact O-N 3.33Å; V410-W413 PolarHBondContact O-N 2.95Å; V410-V414 WeakPolarHBondContact O-CG2 3.43Å; V410-V414 PolarHBondContact O-N 3.44Å |
| 411 | L | 90.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 174.9 | -65.9 | 176.2 | 0 | 0 | 0 | 112.4 | V407 T408 R415 V428 L431 Q432 | V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CD2 4.48Å; V407-L411 HydrophobicContact CG1-CG 3.85Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.88Å; T408-L411 PolarHBondContact O-N 2.97Å; L411-R415 WeakPolarHBondContact O-CG 3.24Å; L411-R415 PolarHBondContact O-N 3.21Å; L411-R415 VanDerWaalsContact O-N 3.07Å; L411-V428 HydrophobicContact CD2-CG1 4.33Å; L411-L431 HydrophobicContact CD2-CB 3.83Å; L411-L431 HydrophobicContact CD2-CD1 4.13Å; L411-Q432 HydrophobicContact CD1-CG 3.56Å |
| 412 | N | 91.2 | Very high | 87.8 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.6 | -48.2 | 173.3 | -70.8 | -2.1 | 0 | 0 | 0 | 110.9 | T408 V410 V414 R415 D416 | T408-N412 WeakPolarHBondContact O-CB 3.26Å; T408-N412 PolarHBondContact O-N 2.69Å; V410-N412 VanDerWaalsContact C-N 3.33Å; V410-N412 PolarHBondContact O-N 3.33Å; N412-V414 PolarHBondContact O-N 3.33Å; N412-R415 CarbonylContact O-C 3.54Å; N412-R415 WeakPolarHBondContact O-CA 3.47Å; N412-R415 WeakPolarHBondContact O-CB 3.18Å; N412-R415 PolarHBondContact O-N 3.43Å; N412-R415 PolarHBondContact OD1-NH1 3Å; N412-D416 PolarHBondContact O-N 3.39Å |
| 413 | W | 91.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.6 | -35.7 | 174.4 | 177.7 | 102.9 | 0 | 0 | 0 | 113 | V384 E386 V387 K409 V410 Q417 | V384-W413 HydrophobicContact CB-CH2 4.3Å; V384-W413 HydrophobicContact CG1-CH2 3.61Å; V384-W413 HydrophobicContact CG1-CZ2 3.52Å; E386-W413 HydrophobicContact CB-CD2 4.05Å; E386-W413 HydrophobicContact CB-CG 4.35Å; E386-W413 HydrophobicContact CB-CZ2 3.87Å; E386-W413 HydrophobicContact CG-CZ2 4.22Å; E386-W413 PolarHBondContact OE1-NE1 3.22Å; V387-W413 HydrophobicContact CG1-CE3 3.98Å; V387-W413 HydrophobicContact CG1-CH2 4.31Å; V387-W413 HydrophobicContact CG1-CZ3 3.59Å; V387-W413 HydrophobicContact CG2-CH2 4.44Å; V387-W413 HydrophobicContact CG2-CZ3 4.46Å; K409-W413 WeakPolarHBondContact O-CB 3.37Å; K409-W413 PolarHBondContact O-N 3.1Å; V410-W413 PolarHBondContact O-N 2.95Å; W413-Q417 VanDerWaalsContact CH2-NE2 3.3Å; W413-Q417 WeakPolarHBondContact O-CG 3.16Å |
| 414 | V | 90.6 | Very high | 87.3 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 171.9 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L324 V387 V410 N412 D416 Q417 L424 Q425 V428 | L324-V414 HydrophobicContact CD1-CG2 4.25Å; V387-V414 HydrophobicContact CG1-CG2 4.35Å; V410-V414 WeakPolarHBondContact O-CG2 3.43Å; V410-V414 PolarHBondContact O-N 3.44Å; N412-V414 PolarHBondContact O-N 3.33Å; V414-D416 VanDerWaalsContact C-N 3.32Å; V414-D416 PolarHBondContact O-N 2.71Å; V414-Q417 PolarHBondContact O-N 3.13Å; V414-Q417 VanDerWaalsContact O-N 3.08Å; V414-L424 HydrophobicContact CG1-CB 4.22Å; V414-Q425 PolarHBondContact O-NE2 3.28Å; V414-V428 HydrophobicContact CB-CG2 4.33Å; V414-V428 HydrophobicContact CG1-CG2 3.68Å |
| 415 | R | 89.3 | Confident | 87.4 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 36% | 0.362 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 177.3 | -71.8 | 166.9 | 177.5 | 161.9 | 0.3 | 112.5 | L411 N412 Q417 A418 | L411-R415 WeakPolarHBondContact O-CG 3.24Å; L411-R415 PolarHBondContact O-N 3.21Å; L411-R415 VanDerWaalsContact O-N 3.07Å; N412-R415 CarbonylContact O-C 3.54Å; N412-R415 WeakPolarHBondContact O-CA 3.47Å; N412-R415 WeakPolarHBondContact O-CB 3.18Å; N412-R415 PolarHBondContact O-N 3.43Å; N412-R415 PolarHBondContact OD1-NH1 3Å; R415-Q417 PolarHBondContact O-N 3.05Å; R415-A418 WeakPolarHBondContact O-CB 3.11Å; R415-A418 PolarHBondContact O-N 3.43Å; R415-A418 VanDerWaalsContact O-N 3.12Å |
| 416 | D | 89.3 | Confident | 87.4 | Confident | 136 Ų | 136 | 64.7 Ų | 64.7 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.2 | 178.5 | -57.6 | -27.1 | 0 | 0 | 0 | 112.9 | N412 V414 | N412-D416 PolarHBondContact O-N 3.39Å; V414-D416 VanDerWaalsContact C-N 3.32Å; V414-D416 PolarHBondContact O-N 2.71Å |
| 417 | Q | 84.4 | Confident | 87.6 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 13.3 | 176.5 | -68.9 | -175.2 | 8 | 0 | 0 | 114.7 | W413 V414 R415 E419 K420 E421 | W413-Q417 VanDerWaalsContact CH2-NE2 3.3Å; W413-Q417 WeakPolarHBondContact O-CG 3.16Å; V414-Q417 PolarHBondContact O-N 3.13Å; V414-Q417 VanDerWaalsContact O-N 3.08Å; R415-Q417 PolarHBondContact O-N 3.05Å; Q417-E419 PolarHBondContact O-N 3.27Å; Q417-E419 VanDerWaalsContact O-N 3.1Å; Q417-K420 PolarHBondContact O-N 3.41Å; Q417-E421 PolarHBondContact O-N 3Å |
| 418 | A | 78 | Confident | 87.6 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -39 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R415 A422 Q425 | R415-A418 WeakPolarHBondContact O-CB 3.11Å; R415-A418 PolarHBondContact O-N 3.43Å; R415-A418 VanDerWaalsContact O-N 3.12Å; A418-A422 PolarHBondContact O-N 3.3Å; A418-Q425 HydrophobicContact CB-CG 4.35Å |
| 419 | E | 76.8 | Confident | 87.6 | Confident | 202 Ų | 202 | 63.8 Ų | 63.8 | 94% | 0.944 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24.8 | 178.4 | -61.1 | -176.5 | 161.3 | 0 | 0 | 114.1 | Q417 | Q417-E419 PolarHBondContact O-N 3.27Å; Q417-E419 VanDerWaalsContact O-N 3.1Å |
| 420 | K | 78.3 | Confident | 87.6 | Confident | 164 Ų | 164 | 59 Ų | 59 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -35.6 | -175.4 | -69.6 | 179.2 | 179.4 | 172.9 | 0 | 112.9 | Q417 | Q417-K420 PolarHBondContact O-N 3.41Š|
| 421 | E | 79.5 | Confident | 87.6 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | trans | -147.4 | 65.5 | -171.7 | -77.3 | -62.1 | 158.1 | 0 | 0 | 110.5 | R317 Q417 D423 L424 | R317-E421 WeakPolarHBondContact CD-OE1 3.21Å; R317-E421 VanDerWaalsContact CG-OE1 3.22Å; R317-E421 WeakPolarHBondContact CG-OE1 3.13Å; R317-E421 IonicContact CZ-OE1 2.73Å; R317-E421 IonicContact NE-OE1 3.96Å; R317-E421 IonicContact NH1-OE1 3.22Å; R317-E421 PolarHBondContact NH1-OE1 2.93Å; Q417-E421 PolarHBondContact O-N 3Å; E421-D423 PolarHBondContact O-N 3.28Å; E421-L424 HydrophobicContact CB-CD1 3.8Å; E421-L424 HydrophobicContact CB-CG 3.92Å; E421-L424 HydrophobicContact CG-CD1 4.21Å; E421-L424 PolarHBondContact O-N 2.99Å | ||
| 422 | A | 83.2 | Confident | 87.7 | Confident | 67 Ų | 67 | 60 Ų | 60 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -54.5 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A418 L424 Q425 | A418-A422 PolarHBondContact O-N 3.3Å; A422-L424 PolarHBondContact O-N 2.78Å; A422-Q425 WeakPolarHBondContact O-CB 3.46Å; A422-Q425 WeakPolarHBondContact O-CG 3.2Å; A422-Q425 PolarHBondContact O-N 2.79Å |
| 423 | D | 84.6 | Confident | 87.6 | Confident | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -61.6 | -13.1 | 177.5 | -86.2 | 24.1 | 0 | 0 | 0 | 114.1 | R321 E421 Y427 | R321-D423 IonicContact CZ-OD2 3.14Å; R321-D423 IonicContact NH1-OD2 2.85Å; R321-D423 PolarHBondContact NH1-OD2 2.97Å; R321-D423 IonicContact NH2-OD2 3.05Å; R321-D423 PolarHBondContact NH2-OD2 2.8Å; E421-D423 PolarHBondContact O-N 3.28Å; D423-Y427 WeakPolarHBondContact O-CE2 3.36Å |
| 424 | L | 88.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -89.1 | -20.3 | 175.5 | -58.2 | -174.9 | 0 | 0 | 0 | 113.6 | R321 L324 V414 E421 A422 Q426 Y427 | R321-L424 HydrophobicContact CB-CD2 4.05Å; R321-L424 HydrophobicContact CG-CD2 4.31Å; L324-L424 HydrophobicContact CD1-CB 4.42Å; L324-L424 HydrophobicContact CD1-CD1 4.17Å; L324-L424 HydrophobicContact CD1-CD2 4.13Å; L324-L424 HydrophobicContact CD1-CG 4.47Å; V414-L424 HydrophobicContact CG1-CB 4.22Å; E421-L424 HydrophobicContact CB-CD1 3.8Å; E421-L424 HydrophobicContact CB-CG 3.92Å; E421-L424 HydrophobicContact CG-CD1 4.21Å; E421-L424 PolarHBondContact O-N 2.99Å; A422-L424 PolarHBondContact O-N 2.78Å; L424-Q426 VanDerWaalsContact C-N 3.28Å; L424-Q426 PolarHBondContact O-N 2.99Å; L424-Y427 HydrophobicContact CB-CD2 4.44Å; L424-Y427 HydrophobicContact CD2-CD2 4.16Å; L424-Y427 HydrophobicContact CD2-CE2 3.8Å; L424-Y427 WeakPolarHBondContact O-CD2 3.43Å; L424-Y427 PolarHBondContact O-N 3.26Å |
| 425 | Q | 90.4 | Very high | 87.7 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -62.8 | -35.5 | -177.1 | -60.8 | -52.4 | -39 | 0 | 0 | 112.7 | V414 A418 A422 Y427 V428 | V414-Q425 PolarHBondContact O-NE2 3.28Å; A418-Q425 HydrophobicContact CB-CG 4.35Å; A422-Q425 WeakPolarHBondContact O-CB 3.46Å; A422-Q425 WeakPolarHBondContact O-CG 3.2Å; A422-Q425 PolarHBondContact O-N 2.79Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.13Å; Q425-V428 WeakPolarHBondContact O-CB 3.38Å; Q425-V428 PolarHBondContact O-N 2.57Å; Q425-V428 VanDerWaalsContact O-N 3.09Å |
| 426 | Q | 91.9 | Very high | 87.7 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.7 | -176.8 | 72.3 | -172.9 | 5.4 | 0 | 0 | 113.7 | W284 L424 | W284-Q426 VanDerWaalsContact CD1-OE1 3.27Å; W284-Q426 HydrophobicContact CD2-CG 4.35Å; W284-Q426 HydrophobicContact CH2-CB 4.47Å; W284-Q426 HydrophobicContact CH2-CG 4.21Å; W284-Q426 WeakPolarHBondContact CH2-O 3.36Å; W284-Q426 HydrophobicContact CZ2-CB 3.56Å; W284-Q426 HydrophobicContact CZ2-CG 3.63Å; W284-Q426 WeakPolarHBondContact CZ2-O 3.48Å; W284-Q426 VanDerWaalsContact NE1-OE1 3.09Å; L424-Q426 VanDerWaalsContact C-N 3.28Å; L424-Q426 PolarHBondContact O-N 2.99Å |
| 427 | Y | 93.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -76.2 | -25.4 | 178.4 | -57.6 | -47.9 | 0 | 0 | 0 | 113.2 | W284 H292 R321 L324 A325 S328 D423 L424 Q425 H430 L431 | W284-Y427 HydrophobicContact CE3-CE1 4.36Å; W284-Y427 AromaticContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CE1 4.26Å; W284-Y427 AromaticContact CZ3-CD1 3.97Å; W284-Y427 HydrophobicContact CZ3-CD1 3.97Å; W284-Y427 AromaticContact CZ3-CE1 3.95Å; W284-Y427 HydrophobicContact CZ3-CE1 3.95Å; H292-Y427 AromaticContact NE2-CE1 3.53Å; H292-Y427 AromaticContact NE2-CZ 3.79Å; H292-Y427 PolarHBondContact NE2-OH 3.16Å; R321-Y427 HydrophobicContact CG-CE2 4.43Å; L324-Y427 HydrophobicContact CB-CD2 3.73Å; L324-Y427 HydrophobicContact CB-CE2 4.4Å; L324-Y427 HydrophobicContact CB-CG 4.13Å; A325-Y427 HydrophobicContact CB-CD1 4.45Å; A325-Y427 HydrophobicContact CB-CE1 3.82Å; S328-Y427 VanDerWaalsContact OG-CB 3.28Å; S328-Y427 WeakPolarHBondContact OG-CB 3.15Å; D423-Y427 WeakPolarHBondContact O-CE2 3.36Å; L424-Y427 HydrophobicContact CB-CD2 4.44Å; L424-Y427 HydrophobicContact CD2-CD2 4.16Å; L424-Y427 HydrophobicContact CD2-CE2 3.8Å; L424-Y427 WeakPolarHBondContact O-CD2 3.43Å; L424-Y427 PolarHBondContact O-N 3.26Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.13Å; Y427-H430 PolarHBondContact O-N 3.41Å; Y427-H430 VanDerWaalsContact O-N 3.13Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.43Å |
| 428 | V | 92.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.3 | -47.8 | -171.1 | 171.8 | 0 | 0 | 0 | 0 | 113.5 | L411 V414 Q425 H430 L431 Q432 | L411-V428 HydrophobicContact CD2-CG1 4.33Å; V414-V428 HydrophobicContact CB-CG2 4.33Å; V414-V428 HydrophobicContact CG1-CG2 3.68Å; Q425-V428 WeakPolarHBondContact O-CB 3.38Å; Q425-V428 PolarHBondContact O-N 2.57Å; Q425-V428 VanDerWaalsContact O-N 3.09Å; V428-H430 PolarHBondContact O-N 2.81Å; V428-L431 PolarHBondContact O-N 2.84Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 3.44Å |
| 429 | P | 91.4 | Very high | 88.7 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 179.8 | -21.4 | 34.4 | 0 | 0 | 0 | 113.1 | Q432 S433 | P429-Q432 WeakPolarHBondContact O-CB 3.1Å; P429-Q432 PolarHBondContact O-N 2.93Å; P429-S433 PolarHBondContact O-N 2.57Å; P429-S433 PolarHBondContact O-OG 3.41Å |
| 430 | H | 91.4 | Very high | 89.3 | Confident | 61 Ų | 61 | 34.3 Ų | 34.3 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 179.4 | -68.9 | 86.9 | 0 | 0 | 0 | 111.5 | W284 S328 Y427 V428 Q432 S433 N434 | W284-H430 AromaticContact CH2-CE1 3.51Å; W284-H430 AromaticContact CH2-ND1 3.43Å; W284-H430 WeakPolarHBondContact CH2-ND1 3.35Å; W284-H430 AromaticContact CZ2-CE1 3.8Å; W284-H430 AromaticContact CZ2-ND1 3.93Å; S328-H430 WeakPolarHBondContact O-CB 3.32Å; Y427-H430 PolarHBondContact O-N 3.41Å; Y427-H430 VanDerWaalsContact O-N 3.13Å; V428-H430 PolarHBondContact O-N 2.81Å; H430-Q432 VanDerWaalsContact C-N 3.35Å; H430-S433 PolarHBondContact O-N 2.94Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 2.88Å |
| 431 | L | 92 | Very high | 89.8 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 172.7 | -66.5 | 169.9 | 0 | 0 | 0 | 111.9 | L324 L327 S328 L411 Y427 V428 T435 | L324-L431 HydrophobicContact CD2-CD1 3.93Å; L327-L431 HydrophobicContact CB-CD2 3.75Å; S328-L431 WeakPolarHBondContact OG-CG 3.35Å; L411-L431 HydrophobicContact CD2-CB 3.83Å; L411-L431 HydrophobicContact CD2-CD1 4.13Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.43Å; V428-L431 PolarHBondContact O-N 2.84Å; L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.38Å; L431-T435 PolarHBondContact O-N 3.37Å; L431-T435 PolarHBondContact O-OG1 3.44Å |
| 432 | Q | 91.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 26.1 Ų | 26.1 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -53.1 | 172.9 | -73.4 | 176.6 | -77.8 | 0 | 0 | 110.9 | L411 V428 P429 H430 N434 T435 I436 F461 | L411-Q432 HydrophobicContact CD1-CG 3.56Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 3.44Å; P429-Q432 WeakPolarHBondContact O-CB 3.1Å; P429-Q432 PolarHBondContact O-N 2.93Å; H430-Q432 VanDerWaalsContact C-N 3.35Å; Q432-N434 PolarHBondContact O-N 3.17Å; Q432-T435 PolarHBondContact O-N 2.93Å; Q432-I436 VanDerWaalsContact O-CG1 3.32Å; Q432-I436 WeakPolarHBondContact O-CG1 3.23Å; Q432-I436 PolarHBondContact O-N 3.4Å; Q432-F461 HydrophobicContact CB-CD2 4.34Å; Q432-F461 HydrophobicContact CB-CE2 3.99Å; Q432-F461 HydrophobicContact CG-CD2 3.92Å; Q432-F461 HydrophobicContact CG-CE2 3.93Å; Q432-F461 PolarHBondContact NE2-O 2.97Å |
| 433 | S | 90.6 | Very high | 90.8 | Very high | 69 Ų | 69 | 23 Ų | 23 | 48% | 0.483 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 113 | P429 H430 T435 I436 L437 | P429-S433 PolarHBondContact O-N 2.57Å; P429-S433 PolarHBondContact O-OG 3.41Å; H430-S433 PolarHBondContact O-N 2.94Å; S433-T435 VanDerWaalsContact C-N 3.32Å; S433-T435 PolarHBondContact O-N 3.31Å; S433-I436 PolarHBondContact O-N 3.49Å; S433-L437 PolarHBondContact O-N 3.3Å |
| 434 | N | 91.2 | Very high | 91 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64 | -36.2 | 176.9 | -81.2 | -13.1 | 0 | 0 | 0 | 112.6 | L327 I329 I331 H430 Q432 L437 R438 | L327-N434 PolarHBondContact O-ND2 2.62Å; I329-N434 PolarHBondContact O-ND2 3.1Å; I331-N434 HydrophobicContact CD1-CB 3.72Å; I331-N434 HydrophobicContact CG1-CB 4.33Å; I331-N434 WeakPolarHBondContact CG1-OD1 3.32Å; I331-N434 PolarHBondContact N-OD1 3.12Å; I331-N434 VanDerWaalsContact N-OD1 3.07Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 2.88Å; Q432-N434 PolarHBondContact O-N 3.17Å; N434-L437 PolarHBondContact O-N 3.07Å; N434-R438 WeakPolarHBondContact O-CB 3.41Å; N434-R438 WeakPolarHBondContact O-CG 3.43Å; N434-R438 PolarHBondContact O-N 3.12Å |
| 435 | T | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L403 V407 L431 Q432 S433 L439 F461 | L403-T435 HydrophobicContact CG-CG2 4.3Å; V407-T435 HydrophobicContact CB-CG2 4.02Å; V407-T435 HydrophobicContact CG1-CG2 4.08Å; V407-T435 HydrophobicContact CG2-CG2 3.99Å; L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.38Å; L431-T435 PolarHBondContact O-N 3.37Å; L431-T435 PolarHBondContact O-OG1 3.44Å; Q432-T435 PolarHBondContact O-N 2.93Å; S433-T435 VanDerWaalsContact C-N 3.32Å; S433-T435 PolarHBondContact O-N 3.31Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.48Å; T435-L439 PolarHBondContact O-N 3.45Å; T435-F461 HydrophobicContact CG2-CZ 4.17Å |
| 436 | I | 91.1 | Very high | 91 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 175.4 | -64.8 | 160.3 | 0 | 0 | 0 | 110 | Q432 S433 L439 L440 V459 F461 V462 L467 | Q432-I436 VanDerWaalsContact O-CG1 3.32Å; Q432-I436 WeakPolarHBondContact O-CG1 3.23Å; Q432-I436 PolarHBondContact O-N 3.4Å; S433-I436 PolarHBondContact O-N 3.49Å; I436-L439 WeakPolarHBondContact O-CB 3.48Å; I436-L439 PolarHBondContact O-N 2.65Å; I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 3.08Å; I436-V459 HydrophobicContact CG1-CG1 4.07Å; I436-F461 HydrophobicContact CD1-CE2 4.35Å; I436-F461 HydrophobicContact CG1-CE2 4.24Å; I436-F461 HydrophobicContact CG1-CZ 4.47Å; I436-V462 HydrophobicContact CD1-CB 4.27Å; I436-V462 HydrophobicContact CD1-CG1 4.28Å; I436-V462 HydrophobicContact CD1-CG2 3.6Å; I436-L467 HydrophobicContact CG2-CD1 3.88Å |
| 437 | L | 90.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 177.9 | -168.3 | 77.5 | 0 | 0 | 0 | 112 | I331 T332 S433 N434 L439 L440 Q441 A474 | I331-L437 HydrophobicContact CB-CD2 3.62Å; I331-L437 HydrophobicContact CD1-CD2 4.47Å; I331-L437 HydrophobicContact CG2-CD2 3.49Å; I331-L437 VanDerWaalsContact CG2-CD2 3.49Å; T332-L437 HydrophobicContact CG2-CD1 4.29Å; T332-L437 HydrophobicContact CG2-CD2 3.74Å; S433-L437 PolarHBondContact O-N 3.3Å; N434-L437 PolarHBondContact O-N 3.07Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 2.99Å; L437-L440 PolarHBondContact O-N 2.99Å; L437-Q441 WeakPolarHBondContact O-CB 3.32Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.42Å; L437-A474 HydrophobicContact CD1-CB 3.42Å; L437-A474 VanDerWaalsContact CD1-CB 3.42Å |
| 438 | R | 90.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 175.1 | -74.8 | -53.1 | -164.2 | -152 | 5.7 | 112.1 | I331 L394 E395 L403 N434 Q441 Q442 P506 V507 | I331-R438 HydrophobicContact CD1-CG 3.71Å; L394-R438 HydrophobicContact CD2-CB 4.41Å; L394-R438 HydrophobicContact CD2-CG 4.26Å; L394-R438 PolarHBondContact O-NE 2.99Å; L394-R438 VanDerWaalsContact O-NE 3.15Å; E395-R438 IonicContact OE1-NE 2.7Å; E395-R438 IonicContact OE1-NH2 3.53Å; E395-R438 IonicContact OE2-CZ 2.7Å; E395-R438 IonicContact OE2-NE 3.7Å; E395-R438 IonicContact OE2-NH2 2.81Å; E395-R438 PolarHBondContact OE2-NH2 3.47Å; L403-R438 HydrophobicContact CD2-CB 4.1Å; N434-R438 WeakPolarHBondContact O-CB 3.41Å; N434-R438 WeakPolarHBondContact O-CG 3.43Å; N434-R438 PolarHBondContact O-N 3.12Å; R438-Q441 PolarHBondContact O-N 3.47Å; R438-Q442 WeakPolarHBondContact O-CB 3.35Å; R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.8Å; R438-P506 PolarHBondContact NH1-O 3.08Å; R438-P506 VanDerWaalsContact NH1-O 3.08Å; R438-V507 PolarHBondContact NH1-O 3.07Å; R438-V507 VanDerWaalsContact NH1-O 3.1Å; R438-V507 PolarHBondContact NH2-O 3.17Å |
| 439 | L | 91.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 174.1 | 178.2 | 63.4 | 0 | 0 | 0 | 111.5 | P400 L403 T435 I436 L437 Q441 Q442 V443 V459 | P400-L439 HydrophobicContact CB-CD1 3.78Å; P400-L439 WeakPolarHBondContact O-CD1 3.49Å; L403-L439 HydrophobicContact CD2-CB 4.28Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.48Å; T435-L439 PolarHBondContact O-N 3.45Å; I436-L439 WeakPolarHBondContact O-CB 3.48Å; I436-L439 PolarHBondContact O-N 2.65Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 2.99Å; L439-Q441 PolarHBondContact O-N 2.83Å; L439-Q442 PolarHBondContact O-N 3.42Å; L439-V443 HydrophobicContact CD1-CG2 3.94Å; L439-V443 HydrophobicContact CG-CG2 4.27Å; L439-V443 WeakPolarHBondContact O-CB 3.43Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.43Å; L439-V459 HydrophobicContact CD2-CG2 3.46Å; L439-V459 VanDerWaalsContact CD2-CG2 3.46Å |
| 440 | L | 90 | Very high | 90.9 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 178.3 | -70.4 | 169.6 | 0 | 0 | 0 | 111.9 | I436 L437 Q442 V443 A444 L455 I471 L480 | I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 3.08Å; L437-L440 PolarHBondContact O-N 2.99Å; L440-Q442 PolarHBondContact O-N 3.14Å; L440-V443 PolarHBondContact O-N 3.29Å; L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 3.11Å; L440-L455 HydrophobicContact CD2-CD2 3.83Å; L440-I471 HydrophobicContact CD1-CB 4.5Å; L440-I471 HydrophobicContact CD1-CG1 3.66Å; L440-I471 HydrophobicContact CD2-CD1 4.24Å; L440-I471 HydrophobicContact CD2-CG1 3.76Å; L440-I471 HydrophobicContact CG-CG1 4.37Å; L440-L480 HydrophobicContact CB-CD1 4.29Å; L440-L480 HydrophobicContact CB-CD2 3.98Å; L440-L480 HydrophobicContact CD1-CD2 4.16Å; L440-L480 HydrophobicContact CD2-CD2 4.46Å; L440-L480 HydrophobicContact CG-CD2 4.43Å |
| 441 | Q | 88.9 | Confident | 91 | Very high | 25 Ų | 25 | 34 Ų | 34 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 174.8 | -72.8 | -176.2 | -40.6 | 0 | 0 | 112.7 | L437 R438 L439 Q445 P506 | L437-Q441 WeakPolarHBondContact O-CB 3.32Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.42Å; R438-Q441 PolarHBondContact O-N 3.47Å; L439-Q441 PolarHBondContact O-N 2.83Å; Q441-Q445 WeakPolarHBondContact O-CG 3.46Å; Q441-Q445 PolarHBondContact O-NE2 3.43Å; Q441-P506 PolarHBondContact NE2-O 2.52Å |
| 442 | Q | 90.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.4 | -37 | 176.3 | -70.4 | -175.8 | 19.6 | 0 | 0 | 112.3 | D397 F398 P400 R438 L439 L440 P509 | D397-Q442 PolarHBondContact O-NE2 2.71Å; F398-Q442 HydrophobicContact CD2-CB 4.39Å; F398-Q442 HydrophobicContact CD2-CG 3.85Å; F398-Q442 HydrophobicContact CE2-CB 3.97Å; F398-Q442 HydrophobicContact CE2-CG 3.86Å; F398-Q442 HydrophobicContact CZ-CB 4.4Å; P400-Q442 HydrophobicContact CB-CB 3.79Å; P400-Q442 VanDerWaalsContact CD-OE1 3.28Å; P400-Q442 HydrophobicContact CG-CB 4.05Å; R438-Q442 WeakPolarHBondContact O-CB 3.35Å; R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.8Å; L439-Q442 PolarHBondContact O-N 3.42Å; L440-Q442 PolarHBondContact O-N 3.14Å; Q442-P509 HydrophobicContact CG-CG 4.3Å |
| 443 | V | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -46.7 | 177.7 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | P400 L439 L440 Q445 I446 Y447 I450 F493 | P400-V443 HydrophobicContact CB-CG2 3.85Å; L439-V443 HydrophobicContact CD1-CG2 3.94Å; L439-V443 HydrophobicContact CG-CG2 4.27Å; L439-V443 WeakPolarHBondContact O-CB 3.43Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.43Å; L440-V443 PolarHBondContact O-N 3.29Å; V443-Q445 PolarHBondContact O-N 3.03Å; V443-I446 PolarHBondContact O-N 2.92Å; V443-Y447 HydrophobicContact CG1-CD2 3.92Å; V443-Y447 HydrophobicContact CG1-CG 4.37Å; V443-Y447 PolarHBondContact O-N 3.27Å; V443-I450 HydrophobicContact CG1-CD1 4.38Å; V443-F493 HydrophobicContact CG1-CE2 3.86Å; V443-F493 HydrophobicContact CG1-CZ 4.19Å |
| 444 | A | 89.6 | Confident | 91.2 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -28.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L440 I446 L480 F493 M514 | L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 3.11Å; A444-I446 VanDerWaalsContact C-N 3.29Å; A444-I446 PolarHBondContact O-N 2.9Å; A444-L480 HydrophobicContact CB-CD1 3.75Å; A444-F493 HydrophobicContact CB-CB 4.17Å; A444-F493 HydrophobicContact CB-CD1 3.51Å; A444-F493 HydrophobicContact CB-CD2 4.47Å; A444-F493 HydrophobicContact CB-CE1 3.95Å; A444-F493 HydrophobicContact CB-CG 3.81Å; A444-M514 WeakPolarHBondContact O-CE 3.08Å |
| 445 | Q | 88.4 | Confident | 91.2 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.9 | 174.3 | -75.8 | 176.1 | 65.6 | 0 | 0 | 113.7 | F398 Q441 V443 P509 Q512 | F398-Q445 HydrophobicContact CE2-CB 4.28Å; F398-Q445 HydrophobicContact CZ-CB 3.98Å; Q441-Q445 WeakPolarHBondContact O-CG 3.46Å; Q441-Q445 PolarHBondContact O-NE2 3.43Å; V443-Q445 PolarHBondContact O-N 3.03Å; Q445-P509 PolarHBondContact NE2-O 2.81Å; Q445-Q512 WeakPolarHBondContact O-CG 3.44Å; Q445-Q512 PolarHBondContact O-NE2 3.09Å |
| 446 | I | 90.1 | Very high | 91.2 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -45.2 | -178.1 | -49.1 | 173.1 | 0 | 0 | 0 | 111.6 | F398 P400 V443 A444 | F398-I446 HydrophobicContact CE1-CD1 3.59Å; F398-I446 HydrophobicContact CE1-CG1 3.77Å; F398-I446 HydrophobicContact CZ-CD1 3.98Å; F398-I446 HydrophobicContact CZ-CG1 3.8Å; P400-I446 HydrophobicContact CG-CD1 3.64Å; V443-I446 PolarHBondContact O-N 2.92Å; A444-I446 VanDerWaalsContact C-N 3.29Å; A444-I446 PolarHBondContact O-N 2.9Å |
| 447 | Y | 90.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | trans | -97.8 | 124.1 | -170.8 | -70.4 | -91.2 | 0 | 0 | 0 | 110.8 | V443 F493 | V443-Y447 HydrophobicContact CG1-CD2 3.92Å; V443-Y447 HydrophobicContact CG1-CG 4.37Å; V443-Y447 PolarHBondContact O-N 3.27Å; Y447-F493 WeakPolarHBondContact O-CB 3.44Å; Y447-F493 VanDerWaalsContact O-CD2 3.26Å; Y447-F493 WeakPolarHBondContact O-CD2 3.41Å | ||
| 448 | Q | 90 | Very high | 91.1 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 69% | 0.692 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -77 | -32.4 | 169.2 | -169.9 | 179.1 | 14.1 | 0 | 0 | 111.8 | S492 F493 | Q448-S492 CarbonylContact O-C 3.56Å; Q448-S492 WeakPolarHBondContact O-CA 3.01Å; Q448-F493 PolarHBondContact O-N 3.49Å |
| 449 | S | 93.1 | Very high | 91 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.5 | 170.6 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | L491 | S449-L491 CarbonylContact C-O 3.48Å; S449-L491 VanDerWaalsContact CA-O 3.24Å; S449-L491 WeakPolarHBondContact CA-O 3.45Å |
| 450 | I | 94.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 146.3 | 176.9 | -166.8 | 170.9 | 0 | 0 | 0 | 110 | V443 R454 T490 L491 F493 | V443-I450 HydrophobicContact CG1-CD1 4.38Å; I450-R454 HydrophobicContact CD1-CG 4.31Å; I450-R454 HydrophobicContact CG1-CB 4.29Å; I450-R454 HydrophobicContact CG1-CG 4.35Å; I450-T490 WeakPolarHBondContact O-CA 3.42Å; I450-L491 HydrophobicContact CG2-CB 3.99Å; I450-L491 HydrophobicContact CG2-CD1 4.3Å; I450-L491 PolarHBondContact N-O 3.43Å; I450-L491 PolarHBondContact O-N 2.89Å; I450-F493 HydrophobicContact CG2-CE2 3.76Å; I450-F493 HydrophobicContact CG2-CZ 4.46Å |
| 451 | E | 94.4 | Very high | 90.3 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 141.8 | 170.4 | -57 | -177.7 | -174.6 | 0 | 0 | 111.5 | S453 R454 L455 | E451-S453 VanDerWaalsContact C-N 3.34Å; E451-S453 WeakPolarHBondContact CB-OG 3.36Å; E451-S453 PolarHBondContact O-N 2.86Å; E451-S453 PolarHBondContact OE2-OG 2.79Å; E451-R454 HydrophobicContact CB-CB 4.19Å; E451-R454 WeakPolarHBondContact O-CB 3.49Å; E451-R454 PolarHBondContact O-N 2.88Å; E451-R454 VanDerWaalsContact O-N 3.12Å; E451-L455 PolarHBondContact O-N 2.76Å |
| 452 | F | 93.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 50 Ų | 50 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 176.5 | -174.7 | -99.7 | 0 | 0 | 0 | 112.3 | R454 L455 A456 A464 E468 I471 R489 L491 | F452-R454 VanDerWaalsContact C-N 3.29Å; F452-R454 PolarHBondContact O-N 3.37Å; F452-L455 PolarHBondContact O-N 3.17Å; F452-A456 WeakPolarHBondContact O-CB 3.45Å; F452-A456 PolarHBondContact O-N 2.75Å; F452-A464 HydrophobicContact CE1-CB 4.13Å; F452-A464 HydrophobicContact CZ-CB 4.49Å; F452-A464 WeakPolarHBondContact CZ-O 3.04Å; F452-E468 HydrophobicContact CE2-CB 4.19Å; F452-E468 HydrophobicContact CZ-CB 4.01Å; F452-I471 HydrophobicContact CE2-CD1 4.16Å; F452-R489 VanDerWaalsContact CB-O 3.32Å; F452-R489 WeakPolarHBondContact CB-O 3.29Å; F452-R489 PolarHBondContact N-O 3.17Å; F452-L491 HydrophobicContact CD2-CD1 4.16Å; F452-L491 HydrophobicContact CD2-CD2 4.39Å; F452-L491 HydrophobicContact CD2-CG 4.34Å |
| 453 | S | 92.4 | Very high | 90.2 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -49.7 | -48 | 166.6 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | E451 A456 S457 | E451-S453 VanDerWaalsContact C-N 3.34Å; E451-S453 WeakPolarHBondContact CB-OG 3.36Å; E451-S453 PolarHBondContact O-N 2.86Å; E451-S453 PolarHBondContact OE2-OG 2.79Å; S453-A456 PolarHBondContact O-N 3.23Å; S453-S457 PolarHBondContact O-N 3Å |
| 454 | R | 91.9 | Very high | 90.2 | Very high | 122 Ų | 122 | 55.6 Ų | 55.6 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | -179.7 | -175.5 | 61.1 | -176.6 | 129.6 | -4.2 | 111.2 | I450 E451 F452 S457 L458 | I450-R454 HydrophobicContact CD1-CG 4.31Å; I450-R454 HydrophobicContact CG1-CB 4.29Å; I450-R454 HydrophobicContact CG1-CG 4.35Å; E451-R454 HydrophobicContact CB-CB 4.19Å; E451-R454 WeakPolarHBondContact O-CB 3.49Å; E451-R454 PolarHBondContact O-N 2.88Å; E451-R454 VanDerWaalsContact O-N 3.12Å; F452-R454 VanDerWaalsContact C-N 3.29Å; F452-R454 PolarHBondContact O-N 3.37Å; R454-S457 PolarHBondContact NH1-OG 3.4Å; R454-S457 PolarHBondContact O-N 2.86Å; R454-S457 PolarHBondContact O-OG 3.15Å; R454-L458 WeakPolarHBondContact O-CG 3.37Å; R454-L458 PolarHBondContact O-N 3.44Å |
| 455 | L | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 176.2 | -170.4 | 69 | 0 | 0 | 0 | 112.2 | L440 E451 F452 S457 L458 V459 L467 I471 L491 | L440-L455 HydrophobicContact CD2-CD2 3.83Å; E451-L455 PolarHBondContact O-N 2.76Å; F452-L455 PolarHBondContact O-N 3.17Å; L455-S457 VanDerWaalsContact C-N 3.31Å; L455-S457 PolarHBondContact O-N 3.09Å; L455-L458 WeakPolarHBondContact O-CA 3.41Å; L455-L458 WeakPolarHBondContact O-CB 3.26Å; L455-L458 PolarHBondContact O-N 3.48Å; L455-V459 PolarHBondContact O-N 2.78Å; L455-L467 HydrophobicContact CD2-CD2 4.35Å; L455-L467 HydrophobicContact CG-CD2 4.22Å; L455-I471 HydrophobicContact CD2-CD1 3.74Å; L455-L491 HydrophobicContact CD2-CD1 3.43Å; L455-L491 VanDerWaalsContact CD2-CD1 3.43Å |
| 456 | A | 91 | Very high | 90.4 | Very high | 33 Ų | 33 | 67.1 Ų | 67.1 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F452 S453 L458 V459 L467 | F452-A456 WeakPolarHBondContact O-CB 3.45Å; F452-A456 PolarHBondContact O-N 2.75Å; S453-A456 PolarHBondContact O-N 3.23Å; A456-L458 PolarHBondContact O-N 3.2Å; A456-L458 VanDerWaalsContact O-N 3.14Å; A456-V459 CarbonylContact O-C 3.55Å; A456-V459 PolarHBondContact O-N 2.94Å; A456-L467 HydrophobicContact CB-CD2 4.31Å |
| 457 | S | 90.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -16.6 | 174.2 | 79.1 | 0 | 0 | 0 | 0 | 114.6 | S453 R454 L455 | S453-S457 PolarHBondContact O-N 3Å; R454-S457 PolarHBondContact NH1-OG 3.4Å; R454-S457 PolarHBondContact O-N 2.86Å; R454-S457 PolarHBondContact O-OG 3.15Å; L455-S457 VanDerWaalsContact C-N 3.31Å; L455-S457 PolarHBondContact O-N 3.09Å |
| 458 | L | 88.9 | Confident | 90.6 | Very high | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -90.4 | -14 | 174.2 | -68.3 | 169.2 | 0 | 0 | 0 | 112.8 | L401 S404 R454 L455 A456 P460 | L401-L458 HydrophobicContact CD2-CD1 3.95Å; L401-L458 HydrophobicContact CD2-CD2 3.87Å; S404-L458 WeakPolarHBondContact CB-O 3.48Å; S404-L458 PolarHBondContact OG-O 3.14Å; R454-L458 WeakPolarHBondContact O-CG 3.37Å; R454-L458 PolarHBondContact O-N 3.44Å; L455-L458 WeakPolarHBondContact O-CA 3.41Å; L455-L458 WeakPolarHBondContact O-CB 3.26Å; L455-L458 PolarHBondContact O-N 3.48Å; A456-L458 PolarHBondContact O-N 3.2Å; A456-L458 VanDerWaalsContact O-N 3.14Å; L458-P460 VanDerWaalsContact C-CD 3.48Å; L458-P460 WeakPolarHBondContact O-CD 3.25Å |
| 459 | V | 89.2 | Confident | 90.7 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | trans | -122.5 | 69.4 | -179.6 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | I436 L439 L455 A456 F461 V462 L467 | I436-V459 HydrophobicContact CG1-CG1 4.07Å; L439-V459 HydrophobicContact CD2-CG2 3.46Å; L439-V459 VanDerWaalsContact CD2-CG2 3.46Å; L455-V459 PolarHBondContact O-N 2.78Å; A456-V459 CarbonylContact O-C 3.55Å; A456-V459 PolarHBondContact O-N 2.94Å; V459-F461 HydrophobicContact CG1-CD1 4.44Å; V459-F461 HydrophobicContact CG1-CD2 4.32Å; V459-F461 HydrophobicContact CG1-CE1 4.12Å; V459-F461 HydrophobicContact CG1-CE2 3.98Å; V459-F461 HydrophobicContact CG1-CZ 3.88Å; V459-F461 PolarHBondContact O-N 3.2Å; V459-V462 HydrophobicContact CG1-CB 4.06Å; V459-V462 HydrophobicContact CG1-CG2 4.37Å; V459-V462 PolarHBondContact O-N 3.15Å; V459-L467 HydrophobicContact CB-CD2 4.48Å; V459-L467 HydrophobicContact CG2-CD1 4.18Å; V459-L467 HydrophobicContact CG2-CD2 4.5Å | ||
| 460 | P | 81 | Confident | 90.5 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 2.2 | -170.9 | 31.6 | -38.7 | 0 | 0 | 0 | 115 | L458 | L458-P460 VanDerWaalsContact C-CD 3.48Å; L458-P460 WeakPolarHBondContact O-CD 3.25Å |
| 461 | F | 84.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 5.6 | -174.7 | 60.1 | -101.6 | 0 | 0 | 0 | 114.2 | T408 Q432 T435 I436 V459 | T408-F461 WeakPolarHBondContact OG1-CD1 3.43Å; Q432-F461 HydrophobicContact CB-CD2 4.34Å; Q432-F461 HydrophobicContact CB-CE2 3.99Å; Q432-F461 HydrophobicContact CG-CD2 3.92Å; Q432-F461 HydrophobicContact CG-CE2 3.93Å; Q432-F461 PolarHBondContact NE2-O 2.97Å; T435-F461 HydrophobicContact CG2-CZ 4.17Å; I436-F461 HydrophobicContact CD1-CE2 4.35Å; I436-F461 HydrophobicContact CG1-CE2 4.24Å; I436-F461 HydrophobicContact CG1-CZ 4.47Å; V459-F461 HydrophobicContact CG1-CD1 4.44Å; V459-F461 HydrophobicContact CG1-CD2 4.32Å; V459-F461 HydrophobicContact CG1-CE1 4.12Å; V459-F461 HydrophobicContact CG1-CE2 3.98Å; V459-F461 HydrophobicContact CG1-CZ 3.88Å; V459-F461 PolarHBondContact O-N 3.2Å |
| 462 | V | 86.8 | Confident | 90.1 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -137.9 | 142.8 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 109.2 | I436 V459 Q466 L467 | I436-V462 HydrophobicContact CD1-CB 4.27Å; I436-V462 HydrophobicContact CD1-CG1 4.28Å; I436-V462 HydrophobicContact CD1-CG2 3.6Å; V459-V462 HydrophobicContact CG1-CB 4.06Å; V459-V462 HydrophobicContact CG1-CG2 4.37Å; V459-V462 PolarHBondContact O-N 3.15Å; V462-Q466 HydrophobicContact CG1-CB 3.41Å; V462-Q466 VanDerWaalsContact CG1-CB 3.41Å; V462-L467 HydrophobicContact CG1-CB 4.3Å |
| 463 | D | 91.6 | Very high | 89.8 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -70.6 | 154.9 | 177.2 | 170.5 | 57.6 | 0 | 0 | 0 | 112.7 | F465 Q466 L467 | D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.88Å; D463-F465 WeakPolarHBondContact OD2-CB 3.38Å; D463-F465 WeakPolarHBondContact OD2-CD2 3.35Å; D463-F465 PolarHBondContact OD2-N 3.47Å; D463-Q466 HydrophobicContact CB-CB 4.49Å; D463-Q466 HydrophobicContact CB-CG 4.31Å; D463-Q466 PolarHBondContact O-N 2.71Å; D463-Q466 VanDerWaalsContact O-N 3.11Å; D463-L467 WeakPolarHBondContact O-CB 3.16Å; D463-L467 PolarHBondContact O-N 2.86Å | ||
| 464 | A | 91.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -51.9 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F452 Q466 L467 E468 | F452-A464 HydrophobicContact CE1-CB 4.13Å; F452-A464 HydrophobicContact CZ-CB 4.49Å; F452-A464 WeakPolarHBondContact CZ-O 3.04Å; A464-Q466 PolarHBondContact O-N 3.21Å; A464-L467 PolarHBondContact O-N 3Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.32Å |
| 465 | F | 92.5 | Very high | 89.2 | Confident | 158 Ų | 158 | 52.3 Ų | 52.3 | 69% | 0.693 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.1 | -32 | -179 | -61.8 | -71.9 | 0 | 0 | 0 | 112.5 | D463 R469 | D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.88Å; D463-F465 WeakPolarHBondContact OD2-CB 3.38Å; D463-F465 WeakPolarHBondContact OD2-CD2 3.35Å; D463-F465 PolarHBondContact OD2-N 3.47Å; F465-R469 WeakPolarHBondContact O-CB 3.21Å; F465-R469 PolarHBondContact O-N 3Å |
| 466 | Q | 89.9 | Confident | 88.8 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 174.7 | -66.7 | 179.2 | 0.5 | 0 | 0 | 111.8 | V462 D463 A464 S470 | V462-Q466 HydrophobicContact CG1-CB 3.41Å; V462-Q466 VanDerWaalsContact CG1-CB 3.41Å; D463-Q466 HydrophobicContact CB-CB 4.49Å; D463-Q466 HydrophobicContact CB-CG 4.31Å; D463-Q466 PolarHBondContact O-N 2.71Å; D463-Q466 VanDerWaalsContact O-N 3.11Å; A464-Q466 PolarHBondContact O-N 3.21Å; Q466-S470 WeakPolarHBondContact O-CB 3.35Å; Q466-S470 PolarHBondContact O-N 3.4Å; Q466-S470 PolarHBondContact O-OG 3.48Å |
| 467 | L | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.1 | 178 | 61.5 | 0 | 0 | 0 | 111.1 | I436 L455 A456 V459 V462 D463 A464 S470 I471 | I436-L467 HydrophobicContact CG2-CD1 3.88Å; L455-L467 HydrophobicContact CD2-CD2 4.35Å; L455-L467 HydrophobicContact CG-CD2 4.22Å; A456-L467 HydrophobicContact CB-CD2 4.31Å; V459-L467 HydrophobicContact CB-CD2 4.48Å; V459-L467 HydrophobicContact CG2-CD1 4.18Å; V459-L467 HydrophobicContact CG2-CD2 4.5Å; V462-L467 HydrophobicContact CG1-CB 4.3Å; D463-L467 WeakPolarHBondContact O-CB 3.16Å; D463-L467 PolarHBondContact O-N 2.86Å; A464-L467 PolarHBondContact O-N 3Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 3.3Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.14Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.37Å; L467-I471 PolarHBondContact O-N 2.97Å |
| 468 | E | 92.1 | Very high | 86.9 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 174.5 | -168.9 | -175.5 | 124.7 | 0 | 0 | 111.3 | F452 A464 S470 I471 V472 I484 H486 | F452-E468 HydrophobicContact CE2-CB 4.19Å; F452-E468 HydrophobicContact CZ-CB 4.01Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.32Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 3.36Å; E468-I471 WeakPolarHBondContact O-CB 3.34Å; E468-I471 PolarHBondContact O-N 2.92Å; E468-V472 WeakPolarHBondContact O-CG2 3.46Å; E468-V472 PolarHBondContact O-N 2.83Å; E468-I484 HydrophobicContact CG-CD1 4.46Å; E468-H486 IonicContact OE1-CE1 3.47Å; E468-H486 PolarHBondContact OE1-CE1 2.99Å; E468-H486 IonicContact OE2-CE1 3.54Å |
| 469 | R | 91.7 | Very high | 86.1 | Confident | 175 Ų | 175 | 58.8 Ų | 58.8 | 66% | 0.66 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -55.5 | -45 | 174.5 | 179.5 | 174.4 | 176.7 | 169.3 | 1 | 112.3 | F465 I471 V472 D473 | F465-R469 WeakPolarHBondContact O-CB 3.21Å; F465-R469 PolarHBondContact O-N 3Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 3.32Å; R469-V472 PolarHBondContact O-N 3.32Å; R469-D473 WeakPolarHBondContact CG-OD2 3.29Å; R469-D473 IonicContact NE-OD2 3.16Å; R469-D473 WeakPolarHBondContact O-CB 3.1Å; R469-D473 PolarHBondContact O-N 2.95Å |
| 470 | S | 89.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 59 Ų | 59 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -34.9 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | Q466 L467 E468 A474 | Q466-S470 WeakPolarHBondContact O-CB 3.35Å; Q466-S470 PolarHBondContact O-N 3.4Å; Q466-S470 PolarHBondContact O-OG 3.48Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 3.3Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 3.36Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 2.76Å |
| 471 | I | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 175.2 | -65.4 | 159.9 | 0 | 0 | 0 | 110.8 | L440 F452 L455 L467 E468 R469 A475 L480 V482 I484 L491 | L440-I471 HydrophobicContact CD1-CB 4.5Å; L440-I471 HydrophobicContact CD1-CG1 3.66Å; L440-I471 HydrophobicContact CD2-CD1 4.24Å; L440-I471 HydrophobicContact CD2-CG1 3.76Å; L440-I471 HydrophobicContact CG-CG1 4.37Å; F452-I471 HydrophobicContact CE2-CD1 4.16Å; L455-I471 HydrophobicContact CD2-CD1 3.74Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.14Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.37Å; L467-I471 PolarHBondContact O-N 2.97Å; E468-I471 WeakPolarHBondContact O-CB 3.34Å; E468-I471 PolarHBondContact O-N 2.92Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 3.32Å; I471-A475 WeakPolarHBondContact O-CB 3.35Å; I471-A475 PolarHBondContact O-N 3.15Å; I471-L480 HydrophobicContact CG2-CD2 4.41Å; I471-V482 HydrophobicContact CG2-CG1 3.83Å; I471-V482 HydrophobicContact CG2-CG2 4.38Å; I471-I484 HydrophobicContact CG2-CD1 4.16Å; I471-L491 HydrophobicContact CD1-CD1 3.92Å |
| 472 | V | 90.6 | Very high | 86.3 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | E468 R469 A475 R476 I484 | E468-V472 WeakPolarHBondContact O-CG2 3.46Å; E468-V472 PolarHBondContact O-N 2.83Å; R469-V472 PolarHBondContact O-N 3.32Å; V472-A475 PolarHBondContact O-N 2.91Å; V472-R476 VanDerWaalsContact O-CB 3.3Å; V472-R476 WeakPolarHBondContact O-CB 3.33Å; V472-R476 PolarHBondContact O-N 2.8Å; V472-I484 HydrophobicContact CG2-CD1 3.78Å |
| 473 | D | 86.3 | Confident | 86.5 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.9 | -71 | -26.6 | 0 | 0 | 0 | 110.6 | R469 A475 R476 H477 | R469-D473 WeakPolarHBondContact CG-OD2 3.29Å; R469-D473 IonicContact NE-OD2 3.16Å; R469-D473 WeakPolarHBondContact O-CB 3.1Å; R469-D473 PolarHBondContact O-N 2.95Å; D473-A475 PolarHBondContact O-N 3.47Å; D473-R476 PolarHBondContact O-N 3.47Å; D473-H477 PolarHBondContact O-CD2 3.1Å; D473-H477 PolarHBondContact O-N 2.93Å; D473-H477 VanDerWaalsContact O-N 3.08Å |
| 474 | A | 85.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L437 S470 C478 D479 L480 | L437-A474 HydrophobicContact CD1-CB 3.42Å; L437-A474 VanDerWaalsContact CD1-CB 3.42Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 2.76Å; A474-C478 PolarHBondContact O-N 3.47Å; A474-D479 PolarHBondContact O-N 3.31Å; A474-L480 HydrophobicContact CB-CB 4.19Å; A474-L480 HydrophobicContact CB-CD2 4.35Å |
| 475 | A | 85.8 | Confident | 86.8 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I471 V472 D473 C478 V482 | I471-A475 WeakPolarHBondContact O-CB 3.35Å; I471-A475 PolarHBondContact O-N 3.15Å; V472-A475 PolarHBondContact O-N 2.91Å; D473-A475 PolarHBondContact O-N 3.47Å; A475-C478 WeakPolarHBondContact O-CA 3.16Å; A475-C478 PolarHBondContact O-N 3.37Å; A475-C478 VanDerWaalsContact O-N 3.11Å; A475-V482 HydrophobicContact CB-CG1 3.81Å |
| 476 | R | 83.4 | Confident | 86.9 | Confident | 158 Ų | 158 | 58.1 Ų | 58.1 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 178.8 | 178.7 | -175.6 | -179 | 134.7 | 1 | 112.6 | D337 V472 D473 C478 | D337-R476 IonicContact OD2-CZ 3.75Å; D337-R476 IonicContact OD2-NE 3.95Å; D337-R476 PolarHBondContact OD2-NE 3.17Å; D337-R476 IonicContact OD2-NH2 3.89Å; D337-R476 PolarHBondContact OD2-NH2 3.04Å; V472-R476 VanDerWaalsContact O-CB 3.3Å; V472-R476 WeakPolarHBondContact O-CB 3.33Å; V472-R476 PolarHBondContact O-N 2.8Å; D473-R476 PolarHBondContact O-N 3.47Å; R476-C478 PolarHBondContact O-N 3.48Å |
| 477 | H | 77.3 | Confident | 87.1 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.5 | -15.3 | 176.8 | -67.3 | -54 | 0 | 0 | 0 | 112.9 | D473 D479 K502 | D473-H477 PolarHBondContact O-CD2 3.1Å; D473-H477 PolarHBondContact O-N 2.93Å; D473-H477 VanDerWaalsContact O-N 3.08Å; H477-D479 VanDerWaalsContact CB-OD2 3.26Å; H477-D479 WeakPolarHBondContact CB-OD2 3.28Å; H477-K502 PolarHBondContact O-NZ 2.97Å |
| 478 | C | 65.1 | Low | 87.1 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 24 | -179.2 | -55.1 | 0 | 0 | 0 | 0 | 115 | A474 A475 R476 L480 Y499 K502 | A474-C478 PolarHBondContact O-N 3.47Å; A475-C478 WeakPolarHBondContact O-CA 3.16Å; A475-C478 PolarHBondContact O-N 3.37Å; A475-C478 VanDerWaalsContact O-N 3.11Å; R476-C478 PolarHBondContact O-N 3.48Å; C478-L480 VanDerWaalsContact C-N 3.31Å; C478-Y499 WeakPolarHBondContact CA-OH 3.5Å; C478-Y499 WeakPolarHBondContact CB-OH 3.44Å; C478-Y499 PolarHBondContact SG-OH 3.4Å; C478-K502 HydrophobicContact CB-CD 3.98Å; C478-K502 VanDerWaalsContact CB-CE 3.43Å; C478-K502 HydrophobicContact CB-CG 4.5Å; C478-K502 VanDerWaalsContact CB-NZ 3.32Å; C478-K502 WeakPolarHBondContact SG-CE 3.27Å; C478-K502 PolarHBondContact SG-NZ 3.18Å |
| 479 | D | 70.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -82.7 | -10.3 | 177.1 | -54.8 | -50.6 | 0 | 0 | 0 | 112.6 | T332 A474 H477 P506 | T332-D479 VanDerWaalsContact CG2-OD2 3.27Å; T332-D479 WeakPolarHBondContact CG2-OD2 3.46Å; A474-D479 PolarHBondContact O-N 3.31Å; H477-D479 VanDerWaalsContact CB-OD2 3.26Å; H477-D479 WeakPolarHBondContact CB-OD2 3.28Å; D479-P506 HydrophobicContact CB-CG 3.95Å; D479-P506 VanDerWaalsContact OD1-CD 3.22Å; D479-P506 WeakPolarHBondContact OD1-CD 3.46Å; D479-P506 WeakPolarHBondContact OD1-CG 3.47Å |
| 480 | L | 83 | Confident | 87.3 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | trans | -145.3 | 127.7 | -175.5 | -169.7 | 67.2 | 0 | 0 | 0 | 111.8 | L440 A444 I471 A474 C478 V482 F493 | L440-L480 HydrophobicContact CB-CD1 4.29Å; L440-L480 HydrophobicContact CB-CD2 3.98Å; L440-L480 HydrophobicContact CD1-CD2 4.16Å; L440-L480 HydrophobicContact CD2-CD2 4.46Å; L440-L480 HydrophobicContact CG-CD2 4.43Å; A444-L480 HydrophobicContact CB-CD1 3.75Å; I471-L480 HydrophobicContact CG2-CD2 4.41Å; A474-L480 HydrophobicContact CB-CB 4.19Å; A474-L480 HydrophobicContact CB-CD2 4.35Å; C478-L480 VanDerWaalsContact C-N 3.31Å; L480-V482 HydrophobicContact CD2-CB 4.29Å; L480-V482 HydrophobicContact CD2-CG1 3.88Å; L480-V482 HydrophobicContact CG-CB 4.24Å; L480-V482 HydrophobicContact CG-CG1 4.07Å; L480-V482 PolarHBondContact O-N 3.48Å; L480-F493 HydrophobicContact CD1-CD1 4.43Å; L480-F493 HydrophobicContact CD1-CE1 4.26Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L480-F493 HydrophobicContact CG-CE1 4.42Å | ||
| 481 | Q | 87.2 | Confident | 87.5 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | trans | -91.5 | 89.3 | 174.3 | -66.2 | -178 | 35.3 | 0 | 0 | 110.4 | F493 G494 Y499 S516 | Q481-F493 VanDerWaalsContact O-CA 3.29Å; Q481-F493 WeakPolarHBondContact O-CA 3.48Å; Q481-G494 PolarHBondContact O-N 3.04Å; Q481-Y499 VanDerWaalsContact CD-CD1 3.43Å; Q481-Y499 HydrophobicContact CG-CD1 3.52Å; Q481-Y499 HydrophobicContact CG-CD2 4.25Å; Q481-Y499 HydrophobicContact CG-CE1 3.62Å; Q481-Y499 HydrophobicContact CG-CE2 4.34Å; Q481-Y499 HydrophobicContact CG-CG 3.83Å; Q481-S516 PolarHBondContact NE2-OG 3.26Å; Q481-S516 VanDerWaalsContact NE2-OG 3.15Å; Q481-S516 PolarHBondContact OE1-OG 2.93Å | ||
| 482 | V | 90.8 | Very high | 87.6 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.8 | -177.2 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | I471 A475 L480 L491 S492 F493 | I471-V482 HydrophobicContact CG2-CG1 3.83Å; I471-V482 HydrophobicContact CG2-CG2 4.38Å; A475-V482 HydrophobicContact CB-CG1 3.81Å; L480-V482 HydrophobicContact CD2-CB 4.29Å; L480-V482 HydrophobicContact CD2-CG1 3.88Å; L480-V482 HydrophobicContact CG-CB 4.24Å; L480-V482 HydrophobicContact CG-CG1 4.07Å; L480-V482 PolarHBondContact O-N 3.48Å; V482-L491 HydrophobicContact CG2-CB 4.2Å; V482-L491 HydrophobicContact CG2-CD2 4.28Å; V482-S492 CarbonylContact C-O 3.48Å; V482-S492 WeakPolarHBondContact CA-O 3.36Å; V482-F493 HydrophobicContact CB-CD1 3.75Å; V482-F493 HydrophobicContact CB-CE1 3.82Å; V482-F493 HydrophobicContact CG2-CD1 3.77Å; V482-F493 HydrophobicContact CG2-CE1 3.58Å; V482-F493 HydrophobicContact CG2-CZ 4.3Å |
| 483 | R | 90.5 | Very high | 87.7 | Confident | 145 Ų | 145 | 58 Ų | 58 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.1 | 165.5 | -64.7 | -174.7 | 177.6 | -164.9 | 0.8 | 108.9 | S492 D496 | R483-S492 PolarHBondContact N-O 3.22Å; R483-S492 PolarHBondContact O-N 3.46Å; R483-D496 IonicContact CZ-OD2 3.76Å; R483-D496 IonicContact NH2-OD2 2.69Å; R483-D496 PolarHBondContact NH2-OD2 2.98Å |
| 484 | I | 93.6 | Very high | 87.5 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.9 | -179 | -48.9 | -176.7 | 0 | 0 | 0 | 108.3 | E468 I471 V472 L491 | E468-I484 HydrophobicContact CG-CD1 4.46Å; I471-I484 HydrophobicContact CG2-CD1 4.16Å; V472-I484 HydrophobicContact CG2-CD1 3.78Å; I484-L491 HydrophobicContact CB-CD2 4.16Å; I484-L491 HydrophobicContact CD1-CD2 4.38Å; I484-L491 HydrophobicContact CG1-CD2 3.74Å; I484-L491 HydrophobicContact CG2-CD2 3.96Å |
| 485 | D | 94.3 | Very high | 87.5 | Confident | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 109.8 | 169.1 | 172 | 28.9 | 0 | 0 | 0 | 110.4 | T487 S488 R489 T490 | D485-T487 VanDerWaalsContact C-N 3.29Å; D485-T487 VanDerWaalsContact CG-OG1 3.25Å; D485-T487 PolarHBondContact O-N 3.38Å; D485-T487 WeakPolarHBondContact OD1-CB 3.27Å; D485-T487 PolarHBondContact OD1-N 3.01Å; D485-T487 PolarHBondContact OD1-OG1 2.94Å; D485-T487 PolarHBondContact OD2-OG1 2.92Å; D485-T487 VanDerWaalsContact OD2-OG1 3.05Å; D485-S488 WeakPolarHBondContact OD2-CB 3.38Å; D485-S488 PolarHBondContact OD2-N 3.41Å; D485-S488 PolarHBondContact OD2-OG 3.38Å; D485-R489 CarbonylContact O-C 3.59Å; D485-R489 WeakPolarHBondContact O-CA 3.45Å; D485-R489 PolarHBondContact O-N 2.94Å; D485-T490 PolarHBondContact N-O 3.5Å; D485-T490 PolarHBondContact O-N 2.76Å |
| 486 | H | 94.6 | Very high | 87.4 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -15.1 | 178.3 | -58.6 | -94.8 | 0 | 0 | 0 | 113.2 | E468 | E468-H486 IonicContact OE1-CE1 3.47Å; E468-H486 PolarHBondContact OE1-CE1 2.99Å; E468-H486 IonicContact OE2-CE1 3.54Å |
| 487 | T | 95 | Very high | 87.4 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -49.6 | -179.8 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | D485 R489 | D485-T487 VanDerWaalsContact C-N 3.29Å; D485-T487 VanDerWaalsContact CG-OG1 3.25Å; D485-T487 PolarHBondContact O-N 3.38Å; D485-T487 WeakPolarHBondContact OD1-CB 3.27Å; D485-T487 PolarHBondContact OD1-N 3.01Å; D485-T487 PolarHBondContact OD1-OG1 2.94Å; D485-T487 PolarHBondContact OD2-OG1 2.92Å; D485-T487 VanDerWaalsContact OD2-OG1 3.05Å; T487-R489 VanDerWaalsContact C-N 3.34Å |
| 488 | S | 92.9 | Very high | 87.8 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -12.3 | 168.1 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | D485 T490 | D485-S488 WeakPolarHBondContact OD2-CB 3.38Å; D485-S488 PolarHBondContact OD2-N 3.41Å; D485-S488 PolarHBondContact OD2-OG 3.38Å; S488-T490 VanDerWaalsContact C-N 3.32Å; S488-T490 WeakPolarHBondContact OG-CG2 3.44Å; S488-T490 PolarHBondContact OG-N 3.31Å; S488-T490 PolarHBondContact OG-OG1 3.32Å |
| 489 | R | 93 | Very high | 88.6 | Confident | 185 Ų | 185 | 62.5 Ų | 62.5 | 70% | 0.698 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 42.1 | -169.3 | -57.7 | -178.8 | 174.8 | -172.2 | -2.6 | 112.6 | F452 D485 T487 | F452-R489 VanDerWaalsContact CB-O 3.32Å; F452-R489 WeakPolarHBondContact CB-O 3.29Å; F452-R489 PolarHBondContact N-O 3.17Å; D485-R489 CarbonylContact O-C 3.59Å; D485-R489 WeakPolarHBondContact O-CA 3.45Å; D485-R489 PolarHBondContact O-N 2.94Å; T487-R489 VanDerWaalsContact C-N 3.34Å |
| 490 | T | 94.8 | Very high | 89 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 20% | 0.202 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 155.5 | 179 | 65.6 | 0 | 0 | 0 | 0 | 113 | I450 D485 S488 | I450-T490 WeakPolarHBondContact O-CA 3.42Å; D485-T490 PolarHBondContact N-O 3.5Å; D485-T490 PolarHBondContact O-N 2.76Å; S488-T490 VanDerWaalsContact C-N 3.32Å; S488-T490 WeakPolarHBondContact OG-CG2 3.44Å; S488-T490 PolarHBondContact OG-N 3.31Å; S488-T490 PolarHBondContact OG-OG1 3.32Å |
| 491 | L | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.9 | 167.6 | -59.6 | 171.6 | 0 | 0 | 0 | 107.5 | S449 I450 F452 L455 I471 V482 I484 F493 | S449-L491 CarbonylContact C-O 3.48Å; S449-L491 VanDerWaalsContact CA-O 3.24Å; S449-L491 WeakPolarHBondContact CA-O 3.45Å; I450-L491 HydrophobicContact CG2-CB 3.99Å; I450-L491 HydrophobicContact CG2-CD1 4.3Å; I450-L491 PolarHBondContact N-O 3.43Å; I450-L491 PolarHBondContact O-N 2.89Å; F452-L491 HydrophobicContact CD2-CD1 4.16Å; F452-L491 HydrophobicContact CD2-CD2 4.39Å; F452-L491 HydrophobicContact CD2-CG 4.34Å; L455-L491 HydrophobicContact CD2-CD1 3.43Å; L455-L491 VanDerWaalsContact CD2-CD1 3.43Å; I471-L491 HydrophobicContact CD1-CD1 3.92Å; V482-L491 HydrophobicContact CG2-CB 4.2Å; V482-L491 HydrophobicContact CG2-CD2 4.28Å; I484-L491 HydrophobicContact CB-CD2 4.16Å; I484-L491 HydrophobicContact CD1-CD2 4.38Å; I484-L491 HydrophobicContact CG1-CD2 3.74Å; I484-L491 HydrophobicContact CG2-CD2 3.96Å; L491-F493 HydrophobicContact CB-CE2 4.36Å; L491-F493 HydrophobicContact CB-CZ 4.32Å |
| 492 | S | 92.3 | Very high | 87.8 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.5 | 175.8 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | Q448 V482 R483 S495 | Q448-S492 CarbonylContact O-C 3.56Å; Q448-S492 WeakPolarHBondContact O-CA 3.01Å; V482-S492 CarbonylContact C-O 3.48Å; V482-S492 WeakPolarHBondContact CA-O 3.36Å; R483-S492 PolarHBondContact N-O 3.22Å; R483-S492 PolarHBondContact O-N 3.46Å; S492-S495 WeakPolarHBondContact CB-OG 3.44Å |
| 493 | F | 91.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 146.6 | -178.1 | -59.4 | -77.2 | 0 | 0 | 0 | 111.5 | V443 A444 Y447 Q448 I450 L480 Q481 V482 L491 S495 M514 | V443-F493 HydrophobicContact CG1-CE2 3.86Å; V443-F493 HydrophobicContact CG1-CZ 4.19Å; A444-F493 HydrophobicContact CB-CB 4.17Å; A444-F493 HydrophobicContact CB-CD1 3.51Å; A444-F493 HydrophobicContact CB-CD2 4.47Å; A444-F493 HydrophobicContact CB-CE1 3.95Å; A444-F493 HydrophobicContact CB-CG 3.81Å; Y447-F493 WeakPolarHBondContact O-CB 3.44Å; Y447-F493 VanDerWaalsContact O-CD2 3.26Å; Y447-F493 WeakPolarHBondContact O-CD2 3.41Å; Q448-F493 PolarHBondContact O-N 3.49Å; I450-F493 HydrophobicContact CG2-CE2 3.76Å; I450-F493 HydrophobicContact CG2-CZ 4.46Å; L480-F493 HydrophobicContact CD1-CD1 4.43Å; L480-F493 HydrophobicContact CD1-CE1 4.26Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L480-F493 HydrophobicContact CG-CE1 4.42Å; Q481-F493 VanDerWaalsContact O-CA 3.29Å; Q481-F493 WeakPolarHBondContact O-CA 3.48Å; V482-F493 HydrophobicContact CB-CD1 3.75Å; V482-F493 HydrophobicContact CB-CE1 3.82Å; V482-F493 HydrophobicContact CG2-CD1 3.77Å; V482-F493 HydrophobicContact CG2-CE1 3.58Å; V482-F493 HydrophobicContact CG2-CZ 4.3Å; L491-F493 HydrophobicContact CB-CE2 4.36Å; L491-F493 HydrophobicContact CB-CZ 4.32Å; F493-S495 PolarHBondContact O-N 3.02Å; F493-S495 PolarHBondContact O-OG 2.94Å; F493-M514 HydrophobicContact CB-CE 4.25Å |
| 494 | G | 83.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 60.4 | 13.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q481 D496 | Q481-G494 PolarHBondContact O-N 3.04Å; G494-D496 PolarHBondContact O-N 3.34Å |
| 495 | S | 84.6 | Confident | 84.2 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | -71.3 | -10.5 | -175.3 | -31.1 | 0 | 0 | 0 | 0 | 113.5 | S492 F493 | S492-S495 WeakPolarHBondContact CB-OG 3.44Å; F493-S495 PolarHBondContact O-N 3.02Å; F493-S495 PolarHBondContact O-OG 2.94Å | ||
| 496 | D | 83.1 | Confident | 82.8 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | trans | -105.9 | 98.5 | -179.3 | -159.3 | -37 | 0 | 0 | 0 | 110.2 | R483 G494 N498 Y499 | R483-D496 IonicContact CZ-OD2 3.76Å; R483-D496 IonicContact NH2-OD2 2.69Å; R483-D496 PolarHBondContact NH2-OD2 2.98Å; G494-D496 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact OD1-N 2.96Å; D496-Y499 WeakPolarHBondContact O-CB 3.22Å; D496-Y499 PolarHBondContact O-N 3.41Å | ||
| 497 | L | 84.4 | Confident | 81.4 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.6 | -176 | -56.2 | -178.9 | 0 | 0 | 0 | 113.1 | Y499 P515 I519 | L497-Y499 VanDerWaalsContact C-N 3.34Å; L497-P515 HydrophobicContact CD2-CB 3.97Å; L497-I519 HydrophobicContact CB-CD1 4.14Å; L497-I519 HydrophobicContact CD1-CD1 4.11Å; L497-I519 HydrophobicContact CD2-CD1 3.97Å; L497-I519 HydrophobicContact CG-CD1 4.29Å |
| 498 | N | 85.3 | Confident | 80.4 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 82% | 0.824 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.8 | -178.4 | -66.9 | -23.8 | 0 | 0 | 0 | 113.1 | D496 S500 | D496-N498 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact OD1-N 2.96Å; N498-S500 PolarHBondContact O-N 3.01Å |
| 499 | Y | 82.9 | Confident | 79.6 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | trans | -66.4 | 125.9 | -174.2 | -163.5 | -84.7 | 0 | 0 | 0 | 112.4 | C478 Q481 D496 L497 T501 | C478-Y499 WeakPolarHBondContact CA-OH 3.5Å; C478-Y499 WeakPolarHBondContact CB-OH 3.44Å; C478-Y499 PolarHBondContact SG-OH 3.4Å; Q481-Y499 VanDerWaalsContact CD-CD1 3.43Å; Q481-Y499 HydrophobicContact CG-CD1 3.52Å; Q481-Y499 HydrophobicContact CG-CD2 4.25Å; Q481-Y499 HydrophobicContact CG-CE1 3.62Å; Q481-Y499 HydrophobicContact CG-CE2 4.34Å; Q481-Y499 HydrophobicContact CG-CG 3.83Å; D496-Y499 WeakPolarHBondContact O-CB 3.22Å; D496-Y499 PolarHBondContact O-N 3.41Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; Y499-T501 HydrophobicContact CD1-CG2 4.41Å; Y499-T501 HydrophobicContact CE1-CG2 4.47Å | ||
| 500 | S | 78.9 | Confident | 79.1 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | trans | -91.8 | 113.6 | 170.3 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | N498 R520 | N498-S500 PolarHBondContact O-N 3.01Å; S500-R520 PolarHBondContact OG-NH1 3.38Å; S500-R520 PolarHBondContact OG-NH2 3.01Å | ||
| 501 | T | 74.2 | Confident | 78.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | trans | -62.4 | 153.7 | 163.2 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | Y499 E517 | Y499-T501 HydrophobicContact CD1-CG2 4.41Å; Y499-T501 HydrophobicContact CE1-CG2 4.47Å; T501-E517 VanDerWaalsContact CB-OE1 3.29Å; T501-E517 WeakPolarHBondContact CB-OE1 3.44Å; T501-E517 HydrophobicContact CG2-CG 3.9Å; T501-E517 WeakPolarHBondContact CG2-OE1 3.28Å; T501-E517 PolarHBondContact OG1-OE1 3.38Å | ||
| 502 | K | 70.7 | Confident | 78.2 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | trans | -102.5 | 159.2 | 179.9 | -61.7 | 177.6 | -171.6 | 162.9 | 0 | 110 | H477 C478 D504 S505 | H477-K502 PolarHBondContact O-NZ 2.97Å; C478-K502 HydrophobicContact CB-CD 3.98Å; C478-K502 VanDerWaalsContact CB-CE 3.43Å; C478-K502 HydrophobicContact CB-CG 4.5Å; C478-K502 VanDerWaalsContact CB-NZ 3.32Å; C478-K502 WeakPolarHBondContact SG-CE 3.27Å; C478-K502 PolarHBondContact SG-NZ 3.18Å; K502-D504 PolarHBondContact O-N 2.96Å; K502-S505 WeakPolarHBondContact O-CB 3.42Å; K502-S505 PolarHBondContact O-N 2.74Å | ||
| 503 | E | 67 | Low | 77.8 | Confident | 204 Ų | 204 | 69.8 Ų | 69.8 | 95% | 0.953 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.1 | 177.8 | -59.2 | -178.3 | 158.6 | 0 | 0 | 113.1 | S505 | E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 3.46Å |
| 504 | D | 64 | Low | 77.4 | Confident | 75 Ų | 75 | 71 Ų | 71 | 40% | 0.401 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.1 | 178.4 | -61 | -35.6 | 0 | 0 | 0 | 114.8 | R335 K502 | R335-D504 IonicContact CZ-OD2 2.65Å; R335-D504 IonicContact NE-OD2 3.73Å; R335-D504 PolarHBondContact NE-OD2 3.43Å; R335-D504 IonicContact NH2-OD2 3.42Å; R335-D504 PolarHBondContact NH2-OD2 3.41Å; K502-D504 PolarHBondContact O-N 2.96Å |
| 505 | S | 66.8 | Low | 77.6 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | trans | -50.4 | 122.3 | -170.3 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | K502 E503 V507 | K502-S505 WeakPolarHBondContact O-CB 3.42Å; K502-S505 PolarHBondContact O-N 2.74Å; E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 3.46Å; S505-V507 PolarHBondContact O-N 3.17Å | ||
| 506 | P | 65.4 | Low | 77.6 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | trans | -77.1 | 91.1 | -162.6 | -15.4 | 29.9 | 0 | 0 | 0 | 113.4 | I331 R438 Q441 D479 G508 | I331-P506 HydrophobicContact CG2-CB 3.34Å; I331-P506 HydrophobicContact CG2-CG 4.16Å; R438-P506 PolarHBondContact NH1-O 3.08Å; R438-P506 VanDerWaalsContact NH1-O 3.08Å; Q441-P506 PolarHBondContact NE2-O 2.52Å; D479-P506 HydrophobicContact CB-CG 3.95Å; D479-P506 VanDerWaalsContact OD1-CD 3.22Å; D479-P506 WeakPolarHBondContact OD1-CD 3.46Å; D479-P506 WeakPolarHBondContact OD1-CG 3.47Å; P506-G508 PolarHBondContact O-N 3.45Å | ||
| 507 | V | 65.9 | Low | 77.6 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | trans | -46.1 | 134 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | R438 S505 | R438-V507 PolarHBondContact NH1-O 3.07Å; R438-V507 VanDerWaalsContact NH1-O 3.1Å; R438-V507 PolarHBondContact NH2-O 3.17Å; S505-V507 PolarHBondContact O-N 3.17Å | ||
| 508 | G | 72.9 | Confident | 77.7 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | trans | -156.7 | -162.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | P506 F510 | P506-G508 PolarHBondContact O-N 3.45Å; G508-F510 PolarHBondContact O-N 3.28Å; G508-F510 VanDerWaalsContact O-N 3.12Å | ||
| 509 | P | 77.2 | Confident | 77.9 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -60.9 | 119.1 | 175.6 | 25.5 | -33.3 | 0 | 0 | 0 | 110.1 | F398 Q442 Q445 | F398-P509 HydrophobicContact CB-CB 4.32Å; F398-P509 HydrophobicContact CD2-CB 4.29Å; F398-P509 WeakPolarHBondContact CD2-O 2.94Å; Q442-P509 HydrophobicContact CG-CG 4.3Å; Q445-P509 PolarHBondContact NE2-O 2.81Å |
| 510 | F | 81.9 | Confident | 78 | Confident | 131 Ų | 131 | 70.6 Ų | 70.6 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | trans | -120.3 | 126.2 | -168.5 | 171.6 | -88.6 | 0 | 0 | 0 | 110.3 | G508 Q512 N513 | G508-F510 PolarHBondContact O-N 3.28Å; G508-F510 VanDerWaalsContact O-N 3.12Å; F510-Q512 VanDerWaalsContact CZ-C 3.48Å; F510-N513 WeakPolarHBondContact CE2-OD1 3.4Å; F510-N513 WeakPolarHBondContact CZ-OD1 3.25Å | ||
| 511 | L | 84.9 | Confident | 78.5 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | trans | -108.3 | -47.9 | 177.2 | 179.7 | 64.8 | 0 | 0 | 0 | 111.7 | F398 | F398-L511 HydrophobicContact CD1-CB 4.13Å; F398-L511 HydrophobicContact CD1-CD2 3.99Å; F398-L511 HydrophobicContact CD2-CB 4.25Å; F398-L511 HydrophobicContact CE1-CB 3.81Å; F398-L511 HydrophobicContact CE1-CD2 3.4Å; F398-L511 VanDerWaalsContact CE1-CD2 3.4Å; F398-L511 HydrophobicContact CE1-CG 4.21Å; F398-L511 HydrophobicContact CE2-CB 3.94Å; F398-L511 HydrophobicContact CG-CB 4.34Å; F398-L511 HydrophobicContact CZ-CB 3.72Å; F398-L511 HydrophobicContact CZ-CD2 3.96Å; F398-L511 HydrophobicContact CZ-CG 4.5Å | ||
| 512 | Q | 84.3 | Confident | 79.4 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | trans | -156.2 | 151.6 | -178.7 | 61 | -178.5 | -1.4 | 0 | 0 | 113.6 | Q445 F510 | Q445-Q512 WeakPolarHBondContact O-CG 3.44Å; Q445-Q512 PolarHBondContact O-NE2 3.09Å; F510-Q512 VanDerWaalsContact CZ-C 3.48Å | ||
| 513 | N | 83.9 | Confident | 80.6 | Confident | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 39% | 0.387 | S | S | . | . | trans | -66.9 | 150.2 | 174.4 | -78.5 | -14.9 | 0 | 0 | 0 | 111.7 | F510 E517 Q518 | F510-N513 WeakPolarHBondContact CE2-OD1 3.4Å; F510-N513 WeakPolarHBondContact CZ-OD1 3.25Å; N513-E517 HydrophobicContact CB-CB 4.08Å; N513-Q518 HydrophobicContact CB-CG 3.83Å; N513-Q518 PolarHBondContact O-NE2 2.82Å | ||
| 514 | M | 84.1 | Confident | 81.9 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | trans | -67 | 154.1 | 169.2 | -60.3 | -55.2 | -64.3 | 0 | 0 | 111.2 | A444 F493 S516 E517 Q518 | A444-M514 WeakPolarHBondContact O-CE 3.08Å; F493-M514 HydrophobicContact CB-CE 4.25Å; M514-S516 VanDerWaalsContact C-N 3.27Å; M514-S516 PolarHBondContact O-N 3.17Å; M514-S516 VanDerWaalsContact O-N 3.16Å; M514-E517 PolarHBondContact O-N 2.83Å; M514-Q518 WeakPolarHBondContact O-CG 3.41Å; M514-Q518 PolarHBondContact O-N 3.38Å | ||
| 515 | P | 86.9 | Confident | 83.2 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.7 | -36.4 | -177.3 | -29.3 | 36.7 | 0 | 0 | 0 | 115 | L497 Q518 I519 | L497-P515 HydrophobicContact CD2-CB 3.97Å; P515-Q518 PolarHBondContact O-N 2.81Å; P515-I519 WeakPolarHBondContact O-CG1 3.47Å; P515-I519 PolarHBondContact O-N 2.98Å |
| 516 | S | 85.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.028 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.4 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | Q481 M514 R520 | Q481-S516 PolarHBondContact NE2-OG 3.26Å; Q481-S516 VanDerWaalsContact NE2-OG 3.15Å; Q481-S516 PolarHBondContact OE1-OG 2.93Å; M514-S516 VanDerWaalsContact C-N 3.27Å; M514-S516 PolarHBondContact O-N 3.17Å; M514-S516 VanDerWaalsContact O-N 3.16Å; S516-R520 WeakPolarHBondContact O-CB 3.44Å; S516-R520 PolarHBondContact O-N 3.13Å |
| 517 | E | 83.3 | Confident | 86.1 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74 | -33.8 | 175.3 | -65.3 | -173.1 | 124 | 0 | 0 | 113 | T501 N513 M514 R520 N521 | T501-E517 VanDerWaalsContact CB-OE1 3.29Å; T501-E517 WeakPolarHBondContact CB-OE1 3.44Å; T501-E517 HydrophobicContact CG2-CG 3.9Å; T501-E517 WeakPolarHBondContact CG2-OE1 3.28Å; T501-E517 PolarHBondContact OG1-OE1 3.38Å; N513-E517 HydrophobicContact CB-CB 4.08Å; M514-E517 PolarHBondContact O-N 2.83Å; E517-R520 PolarHBondContact O-N 3.16Å; E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 2.84Å; E517-N521 PolarHBondContact O-ND2 3.05Å |
| 518 | Q | 86.2 | Confident | 87.5 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 172.6 | -65.4 | -178.8 | 22.4 | 0 | 0 | 110.5 | N513 M514 P515 Q522 | N513-Q518 HydrophobicContact CB-CG 3.83Å; N513-Q518 PolarHBondContact O-NE2 2.82Å; M514-Q518 WeakPolarHBondContact O-CG 3.41Å; M514-Q518 PolarHBondContact O-N 3.38Å; P515-Q518 PolarHBondContact O-N 2.81Å; Q518-Q522 WeakPolarHBondContact O-CA 3.4Å; Q518-Q522 WeakPolarHBondContact O-CB 3.22Å; Q518-Q522 PolarHBondContact O-N 2.9Å |
| 519 | I | 88.4 | Confident | 88.6 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 176 | -66.2 | 166.3 | 0 | 0 | 0 | 111.1 | L497 P515 N521 Q522 | L497-I519 HydrophobicContact CB-CD1 4.14Å; L497-I519 HydrophobicContact CD1-CD1 4.11Å; L497-I519 HydrophobicContact CD2-CD1 3.97Å; L497-I519 HydrophobicContact CG-CD1 4.29Å; P515-I519 WeakPolarHBondContact O-CG1 3.47Å; P515-I519 PolarHBondContact O-N 2.98Å; I519-N521 PolarHBondContact O-N 3.11Å; I519-Q522 VanDerWaalsContact O-CD 3.28Å; I519-Q522 WeakPolarHBondContact O-CG 3.34Å; I519-Q522 PolarHBondContact O-N 3.37Å; I519-Q522 PolarHBondContact O-NE2 3.29Å |
| 520 | R | 86.8 | Confident | 89.5 | Confident | 148 Ų | 148 | 79.7 Ų | 79.7 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 179 | -170.3 | -170.9 | -170.6 | 114.5 | -13.1 | 112.4 | S500 S516 E517 | S500-R520 PolarHBondContact OG-NH1 3.38Å; S500-R520 PolarHBondContact OG-NH2 3.01Å; S516-R520 WeakPolarHBondContact O-CB 3.44Å; S516-R520 PolarHBondContact O-N 3.13Å; E517-R520 PolarHBondContact O-N 3.16Å |
| 521 | N | 89.3 | Confident | 90.1 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -94.4 | 2.8 | -174.9 | -63.4 | -29.7 | 0 | 0 | 0 | 113.2 | E517 I519 L523 T524 A525 | E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 2.84Å; E517-N521 PolarHBondContact O-ND2 3.05Å; I519-N521 PolarHBondContact O-N 3.11Å; N521-L523 VanDerWaalsContact C-N 3.28Å; N521-L523 PolarHBondContact O-N 2.76Å; N521-L523 VanDerWaalsContact O-N 3.16Å; N521-T524 PolarHBondContact O-N 2.79Å; N521-T524 PolarHBondContact O-OG1 3.13Å; N521-A525 PolarHBondContact O-N 3.41Å |
| 522 | Q | 92.8 | Very high | 90.6 | Very high | 98 Ų | 98 | 77.1 Ų | 77.1 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.4 | -42.5 | -173.7 | 71.5 | -167.9 | -53.3 | 0 | 0 | 113.1 | Q518 I519 T524 A525 M526 | Q518-Q522 WeakPolarHBondContact O-CA 3.4Å; Q518-Q522 WeakPolarHBondContact O-CB 3.22Å; Q518-Q522 PolarHBondContact O-N 2.9Å; I519-Q522 VanDerWaalsContact O-CD 3.28Å; I519-Q522 WeakPolarHBondContact O-CG 3.34Å; I519-Q522 PolarHBondContact O-N 3.37Å; I519-Q522 PolarHBondContact O-NE2 3.29Å; Q522-T524 VanDerWaalsContact C-N 3.34Å; Q522-T524 PolarHBondContact O-N 3.42Å; Q522-A525 PolarHBondContact O-N 3.42Å; Q522-M526 WeakPolarHBondContact O-CB 3.39Å; Q522-M526 VanDerWaalsContact O-CG 3.24Å; Q522-M526 WeakPolarHBondContact O-CG 3.44Å; Q522-M526 PolarHBondContact O-N 3.2Å |
| 523 | L | 94.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 74.7 Ų | 74.7 | 65% | 0.654 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.2 | -29.8 | -178.8 | -62.4 | -180 | 0 | 0 | 0 | 112.7 | N521 M526 S527 | N521-L523 VanDerWaalsContact C-N 3.28Å; N521-L523 PolarHBondContact O-N 2.76Å; N521-L523 VanDerWaalsContact O-N 3.16Å; L523-M526 HydrophobicContact CD2-SD 4.4Å; L523-S527 VanDerWaalsContact O-CB 3.32Å; L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 3.39Å; L523-S527 PolarHBondContact O-OG 3.3Å; L523-S527 VanDerWaalsContact O-OG 3.13Å |
| 524 | T | 94.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 75.9 Ų | 75.9 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -79.1 | -34.1 | 175.3 | 67.4 | 0 | 0 | 0 | 0 | 111.4 | N521 Q522 S527 A528 | N521-T524 PolarHBondContact O-N 2.79Å; N521-T524 PolarHBondContact O-OG1 3.13Å; Q522-T524 VanDerWaalsContact C-N 3.34Å; Q522-T524 PolarHBondContact O-N 3.42Å; T524-S527 PolarHBondContact O-OG 2.83Å; T524-A528 WeakPolarHBondContact O-CB 3.45Å; T524-A528 PolarHBondContact O-N 2.93Å |
| 525 | A | 92.6 | Very high | 91.7 | Very high | 59 Ų | 59 | 81.2 Ų | 81.2 | 49% | 0.488 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N521 Q522 A528 S529 | N521-A525 PolarHBondContact O-N 3.41Å; Q522-A525 PolarHBondContact O-N 3.42Å; A525-A528 PolarHBondContact O-N 3.09Å; A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 3.2Å; A525-S529 PolarHBondContact O-OG 2.78Å |
| 526 | M | 95.7 | Very high | 92 | Very high | 114 Ų | 114 | 84.6 Ų | 84.6 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.1 | -48.9 | 175.8 | -74.2 | 175.2 | 71.2 | 0 | 0 | 112 | Q522 L523 S529 L530 | Q522-M526 WeakPolarHBondContact O-CB 3.39Å; Q522-M526 VanDerWaalsContact O-CG 3.24Å; Q522-M526 WeakPolarHBondContact O-CG 3.44Å; Q522-M526 PolarHBondContact O-N 3.2Å; L523-M526 HydrophobicContact CD2-SD 4.4Å; M526-S529 WeakPolarHBondContact CA-OG 3.32Å; M526-S529 PolarHBondContact O-N 3.05Å; M526-S529 PolarHBondContact O-OG 2.65Å; M526-L530 WeakPolarHBondContact O-CB 3.25Å; M526-L530 PolarHBondContact O-N 3.2Å |
| 527 | S | 96.3 | Very high | 92.4 | Very high | 71 Ų | 71 | 90.3 Ų | 90.3 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 179.9 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | L523 T524 L530 A531 | L523-S527 VanDerWaalsContact O-CB 3.32Å; L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 3.39Å; L523-S527 PolarHBondContact O-OG 3.3Å; L523-S527 VanDerWaalsContact O-OG 3.13Å; T524-S527 PolarHBondContact O-OG 2.83Å; S527-L530 PolarHBondContact O-N 3.19Å; S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.73Å |
| 528 | A | 96 | Very high | 92.5 | Very high | 48 Ų | 48 | 94.8 Ų | 94.8 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T524 A525 K532 | T524-A528 WeakPolarHBondContact O-CB 3.45Å; T524-A528 PolarHBondContact O-N 2.93Å; A525-A528 PolarHBondContact O-N 3.09Å; A528-K532 WeakPolarHBondContact O-CB 3.45Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.36Å; A528-K532 PolarHBondContact O-N 2.88Å; A528-K532 VanDerWaalsContact O-N 3.07Å |
| 529 | S | 95.7 | Very high | 92.7 | Very high | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 174.7 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | A525 M526 K532 A533 | A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 3.2Å; A525-S529 PolarHBondContact O-OG 2.78Å; M526-S529 WeakPolarHBondContact CA-OG 3.32Å; M526-S529 PolarHBondContact O-N 3.05Å; M526-S529 PolarHBondContact O-OG 2.65Å; S529-K532 PolarHBondContact O-N 2.91Å; S529-A533 WeakPolarHBondContact O-CB 3.34Å; S529-A533 PolarHBondContact O-N 3.22Å |
| 530 | L | 95.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | 177.3 | -177.8 | 149.8 | 0 | 0 | 0 | 111.2 | M526 S527 K532 A533 I534 | M526-L530 WeakPolarHBondContact O-CB 3.25Å; M526-L530 PolarHBondContact O-N 3.2Å; S527-L530 PolarHBondContact O-N 3.19Å; L530-K532 PolarHBondContact O-N 3.42Å; L530-A533 WeakPolarHBondContact O-CB 3.44Å; L530-A533 PolarHBondContact O-N 2.99Å; L530-I534 HydrophobicContact CD2-CD1 3.58Å; L530-I534 HydrophobicContact CD2-CG1 4.34Å; L530-I534 HydrophobicContact CG-CD1 4.48Å; L530-I534 WeakPolarHBondContact O-CG1 3.1Å; L530-I534 PolarHBondContact O-N 3.35Å |
| 531 | A | 94.5 | Very high | 92.8 | Very high | 43 Ų | 43 | 87.3 Ų | 87.3 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S527 I534 Q535 | S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.73Å; A531-I534 PolarHBondContact O-N 3.32Å; A531-Q535 WeakPolarHBondContact O-CB 3.44Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.47Å; A531-Q535 PolarHBondContact O-N 3.46Å |
| 532 | K | 95.3 | Very high | 92.7 | Very high | 141 Ų | 141 | 88 Ų | 88 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 171.6 | -76.5 | 169.7 | 176.5 | 177.3 | 0 | 111.8 | A528 S529 L530 Q535 V536 | A528-K532 WeakPolarHBondContact O-CB 3.45Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.36Å; A528-K532 PolarHBondContact O-N 2.88Å; A528-K532 VanDerWaalsContact O-N 3.07Å; S529-K532 PolarHBondContact O-N 2.91Å; L530-K532 PolarHBondContact O-N 3.42Å; K532-Q535 PolarHBondContact O-N 3.22Å; K532-V536 WeakPolarHBondContact O-CG2 3.19Å; K532-V536 PolarHBondContact O-N 2.86Å |
| 533 | A | 95.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 86.8 Ų | 86.8 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S529 L530 Q535 V536 I537 | S529-A533 WeakPolarHBondContact O-CB 3.34Å; S529-A533 PolarHBondContact O-N 3.22Å; L530-A533 WeakPolarHBondContact O-CB 3.44Å; L530-A533 PolarHBondContact O-N 2.99Å; A533-Q535 VanDerWaalsContact C-N 3.35Å; A533-Q535 PolarHBondContact O-N 3.45Å; A533-V536 PolarHBondContact O-N 2.7Å; A533-I537 HydrophobicContact CB-CD1 4.47Å; A533-I537 WeakPolarHBondContact O-CB 3.12Å; A533-I537 VanDerWaalsContact O-CG1 3.23Å; A533-I537 WeakPolarHBondContact O-CG1 3.45Å; A533-I537 PolarHBondContact O-N 3.4Å |
| 534 | I | 91.6 | Very high | 92.1 | Very high | 83 Ų | 83 | 87.4 Ų | 87.4 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 174.7 | -68.2 | 175.9 | 0 | 0 | 0 | 111.3 | L530 A531 V536 K538 | L530-I534 HydrophobicContact CD2-CD1 3.58Å; L530-I534 HydrophobicContact CD2-CG1 4.34Å; L530-I534 HydrophobicContact CG-CD1 4.48Å; L530-I534 WeakPolarHBondContact O-CG1 3.1Å; L530-I534 PolarHBondContact O-N 3.35Å; A531-I534 PolarHBondContact O-N 3.32Å; I534-V536 VanDerWaalsContact C-N 3.28Å; I534-V536 PolarHBondContact O-N 2.65Å; I534-K538 WeakPolarHBondContact O-CA 3.4Å; I534-K538 PolarHBondContact O-N 3.47Å |
| 535 | Q | 89.6 | Confident | 91.8 | Very high | 140 Ų | 140 | 88.5 Ų | 88.5 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -25.1 | 176.5 | -75.7 | 177.9 | -0.2 | 0 | 0 | 114.1 | A531 K532 A533 K538 | A531-Q535 WeakPolarHBondContact O-CB 3.44Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.47Å; A531-Q535 PolarHBondContact O-N 3.46Å; K532-Q535 PolarHBondContact O-N 3.22Å; A533-Q535 VanDerWaalsContact C-N 3.35Å; A533-Q535 PolarHBondContact O-N 3.45Å; Q535-K538 WeakPolarHBondContact O-CE 3.41Å; Q535-K538 VanDerWaalsContact O-CG 3.23Å; Q535-K538 WeakPolarHBondContact O-CG 3.29Å |
| 536 | V | 93.4 | Very high | 91.6 | Very high | 124 Ų | 124 | 93.3 Ų | 93.3 | 75% | 0.752 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -85.7 | -46.2 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | K532 A533 I534 | K532-V536 WeakPolarHBondContact O-CG2 3.19Å; K532-V536 PolarHBondContact O-N 2.86Å; A533-V536 PolarHBondContact O-N 2.7Å; I534-V536 VanDerWaalsContact C-N 3.28Å; I534-V536 PolarHBondContact O-N 2.65Å |
| 537 | I | 92.9 | Very high | 91.3 | Very high | 123 Ų | 123 | 91 Ų | 91 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.7 | -36.9 | -178.7 | -66.1 | 165.4 | 0 | 0 | 0 | 111.4 | A533 | A533-I537 HydrophobicContact CB-CD1 4.47Å; A533-I537 WeakPolarHBondContact O-CB 3.12Å; A533-I537 VanDerWaalsContact O-CG1 3.23Å; A533-I537 WeakPolarHBondContact O-CG1 3.45Å; A533-I537 PolarHBondContact O-N 3.4Å |
| 538 | K | 86.6 | Confident | 91.2 | Very high | 131 Ų | 131 | 92.2 Ų | 92.2 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | trans | 43.1 | 61.9 | -176.3 | -59.2 | -174.9 | -177.6 | 176.4 | 0 | 112.4 | I534 Q535 A540 L543 | I534-K538 WeakPolarHBondContact O-CA 3.4Å; I534-K538 PolarHBondContact O-N 3.47Å; Q535-K538 WeakPolarHBondContact O-CE 3.41Å; Q535-K538 VanDerWaalsContact O-CG 3.23Å; Q535-K538 WeakPolarHBondContact O-CG 3.29Å; K538-A540 PolarHBondContact O-N 2.95Å; K538-L543 HydrophobicContact CB-CD1 4.21Å; K538-L543 HydrophobicContact CB-CG 4.49Å | ||
| 539 | P | 90.7 | Very high | 91 | Very high | 39 Ų | 39 | 93.3 Ų | 93.3 | 25% | 0.253 | 49% | 0.49 | S | S | . | . | trans | -54.7 | 133.3 | -174.8 | 21.2 | -31.1 | 0 | 0 | 0 | 111.2 | S541 N542 L543 | P539-S541 PolarHBondContact O-N 3.28Å; P539-N542 HydrophobicContact CG-CB 4.07Å; P539-N542 WeakPolarHBondContact CG-OD1 3.21Å; P539-N542 PolarHBondContact O-N 3.09Å; P539-L543 PolarHBondContact O-N 3.31Å; P539-L543 VanDerWaalsContact O-N 3.07Å | ||
| 540 | A | 87.8 | Confident | 90.9 | Very high | 65 Ų | 65 | 92 Ų | 92 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.1 | -31 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K538 L543 Q544 | K538-A540 PolarHBondContact O-N 2.95Å; A540-L543 PolarHBondContact O-N 3.18Å; A540-Q544 WeakPolarHBondContact O-CB 3.36Å; A540-Q544 VanDerWaalsContact O-CG 3.28Å; A540-Q544 WeakPolarHBondContact O-CG 3.31Å; A540-Q544 PolarHBondContact O-N 3.47Å |
| 541 | S | 89.1 | Confident | 90.8 | Very high | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.9 | -50.9 | 169.9 | 48.3 | 0 | 0 | 0 | 0 | 112 | P539 L543 Q544 E545 | P539-S541 PolarHBondContact O-N 3.28Å; S541-L543 VanDerWaalsContact C-N 3.3Å; S541-L543 PolarHBondContact O-N 3.38Å; S541-Q544 CarbonylContact O-C 3.54Å; S541-Q544 WeakPolarHBondContact O-CA 3.11Å; S541-Q544 PolarHBondContact O-N 2.97Å; S541-Q544 VanDerWaalsContact O-N 3.13Å; S541-E545 WeakPolarHBondContact O-CB 3.22Å; S541-E545 WeakPolarHBondContact O-CG 3.41Å; S541-E545 PolarHBondContact O-N 3.28Å |
| 542 | N | 86.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 91 Ų | 91 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.6 | -21.4 | -177 | -60.7 | 67.7 | 0 | 0 | 0 | 112.3 | P539 R546 | P539-N542 HydrophobicContact CG-CB 4.07Å; P539-N542 WeakPolarHBondContact CG-OD1 3.21Å; P539-N542 PolarHBondContact O-N 3.09Å; N542-R546 WeakPolarHBondContact O-CB 3.45Å; N542-R546 PolarHBondContact O-N 2.9Å |
| 543 | L | 85.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 85.7 Ų | 85.7 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -57 | 162.4 | -69.1 | 173.1 | 0 | 0 | 0 | 108.8 | K538 P539 A540 S541 E545 R546 D547 | K538-L543 HydrophobicContact CB-CD1 4.21Å; K538-L543 HydrophobicContact CB-CG 4.49Å; P539-L543 PolarHBondContact O-N 3.31Å; P539-L543 VanDerWaalsContact O-N 3.07Å; A540-L543 PolarHBondContact O-N 3.18Å; S541-L543 VanDerWaalsContact C-N 3.3Å; S541-L543 PolarHBondContact O-N 3.38Å; L543-E545 PolarHBondContact O-N 2.92Å; L543-E545 VanDerWaalsContact O-N 3.13Å; L543-R546 CarbonylContact O-C 3.51Å; L543-R546 VanDerWaalsContact O-C 3.27Å; L543-R546 WeakPolarHBondContact O-CA 3.04Å; L543-R546 PolarHBondContact O-N 3.41Å; L543-R546 VanDerWaalsContact O-N 3.14Å; L543-D547 WeakPolarHBondContact O-CA 3.5Å; L543-D547 WeakPolarHBondContact O-CB 3.38Å; L543-D547 PolarHBondContact O-N 3.44Å; L543-D547 VanDerWaalsContact O-OD2 3.1Å |
| 544 | Q | 88.8 | Confident | 90.7 | Very high | 137 Ų | 137 | 86.6 Ų | 86.6 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.4 | -18 | 177.5 | -71.5 | 173.6 | -17.7 | 0 | 0 | 115.8 | A540 S541 D547 E548 | A540-Q544 WeakPolarHBondContact O-CB 3.36Å; A540-Q544 VanDerWaalsContact O-CG 3.28Å; A540-Q544 WeakPolarHBondContact O-CG 3.31Å; A540-Q544 PolarHBondContact O-N 3.47Å; S541-Q544 CarbonylContact O-C 3.54Å; S541-Q544 WeakPolarHBondContact O-CA 3.11Å; S541-Q544 PolarHBondContact O-N 2.97Å; S541-Q544 VanDerWaalsContact O-N 3.13Å; Q544-D547 CarbonylContact O-C 3.4Å; Q544-E548 PolarHBondContact O-N 2.98Å; Q544-E548 VanDerWaalsContact O-N 3.08Å |
| 545 | E | 89.9 | Confident | 90.8 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -96.4 | -32.5 | 174.6 | -75.2 | 172 | 176 | 0 | 0 | 112.6 | S541 L543 D547 | S541-E545 WeakPolarHBondContact O-CB 3.22Å; S541-E545 WeakPolarHBondContact O-CG 3.41Å; S541-E545 PolarHBondContact O-N 3.28Å; L543-E545 PolarHBondContact O-N 2.92Å; L543-E545 VanDerWaalsContact O-N 3.13Å; E545-D547 PolarHBondContact O-N 2.9Å |
| 546 | R | 87.7 | Confident | 91.1 | Very high | 160 Ų | 160 | 80 Ų | 80 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.1 | -4.4 | 159.7 | -154.8 | -167.7 | 75.2 | 126.9 | 13.7 | 110.8 | N542 L543 P1070 R1071 | N542-R546 WeakPolarHBondContact O-CB 3.45Å; N542-R546 PolarHBondContact O-N 2.9Å; L543-R546 CarbonylContact O-C 3.51Å; L543-R546 VanDerWaalsContact O-C 3.27Å; L543-R546 WeakPolarHBondContact O-CA 3.04Å; L543-R546 PolarHBondContact O-N 3.41Å; L543-R546 VanDerWaalsContact O-N 3.14Å; R546-P1070 CarbonylContact C-O 3.52Å; R546-P1070 CarbonylContact O-C 2.78Å; R546-P1070 VanDerWaalsContact O-O 3.05Å; R546-R1071 HydrophobicContact CB-CB 4.38Å; R546-R1071 HydrophobicContact CG-CB 3.65Å; R546-R1071 HydrophobicContact CG-CG 4.46Å; R546-R1071 PolarHBondContact O-N 3.11Å |
| 547 | D | 89.6 | Confident | 91.1 | Very high | 64 Ų | 64 | 81.6 Ų | 81.6 | 34% | 0.342 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 39.3 | 173.2 | -54.3 | -32.1 | 0 | 0 | 0 | 113.8 | L543 Q544 E545 G1069 P1070 | L543-D547 WeakPolarHBondContact O-CA 3.5Å; L543-D547 WeakPolarHBondContact O-CB 3.38Å; L543-D547 PolarHBondContact O-N 3.44Å; L543-D547 VanDerWaalsContact O-OD2 3.1Å; Q544-D547 CarbonylContact O-C 3.4Å; E545-D547 PolarHBondContact O-N 2.9Å; D547-G1069 WeakPolarHBondContact CA-O 3.36Å; D547-G1069 VanDerWaalsContact CB-O 3.26Å; D547-G1069 WeakPolarHBondContact CB-O 3.48Å; D547-P1070 CarbonylContact C-O 3.59Å; D547-P1070 VanDerWaalsContact C-O 3.25Å; D547-P1070 VanDerWaalsContact CA-O 3.25Å; D547-P1070 WeakPolarHBondContact CA-O 3.38Å; D547-P1070 PolarHBondContact N-O 3.33Å; D547-P1070 WeakPolarHBondContact O-CD 3.45Å |
| 548 | E | 92.9 | Very high | 91 | Very high | 98 Ų | 98 | 81.6 Ų | 81.6 | 46% | 0.458 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -110.5 | -68.4 | 172.7 | -154.6 | -69 | 139.9 | 0 | 0 | 124.6 | Q544 Q552 P1070 | Q544-E548 PolarHBondContact O-N 2.98Å; Q544-E548 VanDerWaalsContact O-N 3.08Å; E548-Q552 VanDerWaalsContact CD-NE2 3.3Å; E548-Q552 PolarHBondContact O-NE2 2.97Å; E548-Q552 PolarHBondContact OE1-NE2 3.36Å; E548-Q552 VanDerWaalsContact OE1-NE2 3.13Å; E548-Q552 PolarHBondContact OE2-NE2 2.88Å; E548-P1070 VanDerWaalsContact N-CD 3.35Å; E548-P1070 PolarHBondContact N-O 3.27Å; E548-P1070 WeakPolarHBondContact O-CG 3.48Å |
| 549 | H | 92.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 82.8 Ų | 82.8 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | S | Bend | cis | 98.3 | -113.9 | 37 | -81.2 | 35.7 | 0 | 0 | 0 | 120.5 | Q552 A553 P1070 R1071 R1072 | H549-Q552 WeakPolarHBondContact O-CA 3.41Å; H549-Q552 WeakPolarHBondContact O-CB 3.45Å; H549-Q552 WeakPolarHBondContact O-CG 3.21Å; H549-Q552 PolarHBondContact O-N 3.42Å; H549-A553 PolarHBondContact O-N 3.26Å; H549-P1070 WeakPolarHBondContact CA-O 3.44Å; H549-P1070 HydrophobicContact CB-CB 4.13Å; H549-P1070 WeakPolarHBondContact CB-O 3.49Å; H549-R1071 CarbonylContact C-O 3.08Å; H549-R1072 HydrophobicContact CB-CB 4Å; H549-R1072 WeakPolarHBondContact CD2-CB 2.9Å; H549-R1072 PolarHBondContact CD2-O 3.04Å |
| 550 | N | 93.7 | Very high | 91.4 | Very high | 43 Ų | 43 | 84.1 Ų | 84.1 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -40.3 | 169.1 | -168.4 | 76.2 | 0 | 0 | 0 | 124.2 | Q552 A553 I554 P1070 R1071 | N550-Q552 PolarHBondContact O-N 3.4Å; N550-A553 CarbonylContact O-C 3.58Å; N550-A553 WeakPolarHBondContact O-CA 3.42Å; N550-A553 WeakPolarHBondContact O-CB 3.35Å; N550-A553 PolarHBondContact O-N 3.42Å; N550-I554 PolarHBondContact O-N 3.3Å; N550-P1070 VanDerWaalsContact C-CB 3.49Å; N550-P1070 HydrophobicContact CB-CB 4.24Å; N550-P1070 PolarHBondContact N-O 3.03Å; N550-R1071 VanDerWaalsContact CA-N 3.3Å; N550-R1071 WeakPolarHBondContact CA-O 3.21Å; N550-R1071 HydrophobicContact CB-CB 4.17Å; N550-R1071 HydrophobicContact CB-CG 3.82Å; N550-R1071 WeakPolarHBondContact CB-O 3.4Å; N550-R1071 VanDerWaalsContact N-CA 3.31Å; N550-R1071 PolarHBondContact N-O 3.23Å; N550-R1071 VanDerWaalsContact OD1-CZ 3.3Å; N550-R1071 PolarHBondContact OD1-NE 3.21Å; N550-R1071 PolarHBondContact OD1-NH2 3.39Å |
| 551 | Q | 93 | Very high | 91.6 | Very high | 38 Ų | 38 | 82.4 Ų | 82.4 | 18% | 0.178 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.1 | -11.8 | 163.8 | 77 | 51.1 | 21.9 | 0 | 0 | 113.3 | A553 I554 A555 W1068 P1070 | Q551-A553 PolarHBondContact O-N 3.01Å; Q551-I554 HydrophobicContact CB-CB 3.86Å; Q551-I554 HydrophobicContact CB-CD1 3.75Å; Q551-I554 HydrophobicContact CB-CG1 3.9Å; Q551-I554 PolarHBondContact O-N 3Å; Q551-A555 WeakPolarHBondContact O-CB 3.46Å; Q551-A555 PolarHBondContact O-N 3.31Å; Q551-W1068 HydrophobicContact CG-CB 3.88Å; Q551-W1068 HydrophobicContact CG-CD2 4.36Å; Q551-W1068 HydrophobicContact CG-CE3 3.65Å; Q551-W1068 HydrophobicContact CG-CZ3 4.48Å; Q551-P1070 HydrophobicContact CB-CB 4.45Å; Q551-P1070 HydrophobicContact CB-CG 3.88Å; Q551-P1070 HydrophobicContact CG-CB 4.35Å; Q551-P1070 HydrophobicContact CG-CG 3.37Å |
| 552 | Q | 94.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 89.7 Ų | 89.7 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.2 | -21.6 | 153.3 | -39.8 | 176.7 | 9.2 | 0 | 0 | 111.6 | E548 H549 N550 A556 P1070 | E548-Q552 VanDerWaalsContact CD-NE2 3.3Å; E548-Q552 PolarHBondContact O-NE2 2.97Å; E548-Q552 PolarHBondContact OE1-NE2 3.36Å; E548-Q552 VanDerWaalsContact OE1-NE2 3.13Å; E548-Q552 PolarHBondContact OE2-NE2 2.88Å; H549-Q552 WeakPolarHBondContact O-CA 3.41Å; H549-Q552 WeakPolarHBondContact O-CB 3.45Å; H549-Q552 WeakPolarHBondContact O-CG 3.21Å; H549-Q552 PolarHBondContact O-N 3.42Å; N550-Q552 PolarHBondContact O-N 3.4Å; Q552-A556 WeakPolarHBondContact O-CB 3.14Å; Q552-A556 PolarHBondContact O-N 2.93Å; Q552-P1070 HydrophobicContact CG-CG 4.36Å |
| 553 | A | 93.8 | Very high | 92.1 | Very high | 31 Ų | 31 | 92 Ų | 92 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -89.2 | -22.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H549 N550 Q551 A555 A556 Y557 | H549-A553 PolarHBondContact O-N 3.26Å; N550-A553 CarbonylContact O-C 3.58Å; N550-A553 WeakPolarHBondContact O-CA 3.42Å; N550-A553 WeakPolarHBondContact O-CB 3.35Å; N550-A553 PolarHBondContact O-N 3.42Å; Q551-A553 PolarHBondContact O-N 3.01Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A556 PolarHBondContact O-N 3.26Å; A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.35Å; A553-Y557 PolarHBondContact O-N 3.29Å |
| 554 | I | 94.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 92 Ų | 92 | 32% | 0.318 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 160.1 | -59.1 | -178.3 | 0 | 0 | 0 | 107.4 | N550 Q551 Y557 L558 | N550-I554 PolarHBondContact O-N 3.3Å; Q551-I554 HydrophobicContact CB-CB 3.86Å; Q551-I554 HydrophobicContact CB-CD1 3.75Å; Q551-I554 HydrophobicContact CB-CG1 3.9Å; Q551-I554 PolarHBondContact O-N 3Å; I554-Y557 CarbonylContact O-C 3.6Å; I554-Y557 WeakPolarHBondContact O-CB 3.48Å; I554-Y557 PolarHBondContact O-N 3.26Å; I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 HydrophobicContact CG2-CG 4.39Å; I554-L558 WeakPolarHBondContact O-CB 3.21Å; I554-L558 WeakPolarHBondContact O-CG 3.44Å; I554-L558 PolarHBondContact O-N 3.48Å |
| 555 | A | 93.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 90.9 Ų | 90.9 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q551 A553 L558 K559 | Q551-A555 WeakPolarHBondContact O-CB 3.46Å; Q551-A555 PolarHBondContact O-N 3.31Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A555-L558 PolarHBondContact O-N 2.89Å; A555-K559 WeakPolarHBondContact O-CB 3.31Å; A555-K559 PolarHBondContact O-N 3.02Å |
| 556 | A | 94.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 91.7 Ų | 91.7 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q552 A553 K559 N560 | Q552-A556 WeakPolarHBondContact O-CB 3.14Å; Q552-A556 PolarHBondContact O-N 2.93Å; A553-A556 PolarHBondContact O-N 3.26Å; A556-K559 PolarHBondContact O-N 3.33Å; A556-N560 WeakPolarHBondContact O-CB 3.27Å; A556-N560 PolarHBondContact O-N 3.19Å; A556-N560 PolarHBondContact O-ND2 3.03Å |
| 557 | Y | 93.3 | Very high | 92.9 | Very high | 156 Ų | 156 | 92.7 Ų | 92.7 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.7 | -52.5 | 171.7 | 169.3 | -103.8 | 0 | 0 | 0 | 110.9 | A553 I554 K559 N560 A561 | A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.35Å; A553-Y557 PolarHBondContact O-N 3.29Å; I554-Y557 CarbonylContact O-C 3.6Å; I554-Y557 WeakPolarHBondContact O-CB 3.48Å; I554-Y557 PolarHBondContact O-N 3.26Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.42Å; Y557-N560 PolarHBondContact O-N 2.65Å; Y557-N560 VanDerWaalsContact O-N 3.14Å; Y557-A561 HydrophobicContact CD2-CB 4.15Å; Y557-A561 HydrophobicContact CE2-CB 3.84Å; Y557-A561 WeakPolarHBondContact O-CA 3.46Å; Y557-A561 WeakPolarHBondContact O-CB 3.49Å; Y557-A561 PolarHBondContact O-N 2.91Å |
| 558 | L | 92.1 | Very high | 93 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.5 | -37.3 | 177.5 | -70.4 | 167.6 | 0 | 0 | 0 | 112.4 | I554 A555 | I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 HydrophobicContact CG2-CG 4.39Å; I554-L558 WeakPolarHBondContact O-CB 3.21Å; I554-L558 WeakPolarHBondContact O-CG 3.44Å; I554-L558 PolarHBondContact O-N 3.48Å; A555-L558 PolarHBondContact O-N 2.89Å |
| 559 | K | 92.7 | Very high | 93 | Very high | 156 Ų | 156 | 93.9 Ų | 93.9 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.3 | -29.1 | 177.4 | -176.5 | 175.4 | -177.9 | 175.9 | 0 | 113.4 | A555 A556 Y557 | A555-K559 WeakPolarHBondContact O-CB 3.31Å; A555-K559 PolarHBondContact O-N 3.02Å; A556-K559 PolarHBondContact O-N 3.33Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.42Å |
| 560 | N | 93.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 92.6 Ų | 92.6 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -105.6 | -29.1 | -174.4 | -64.9 | -9.5 | 0 | 0 | 0 | 113.6 | A556 Y557 R562 K563 D564 | A556-N560 WeakPolarHBondContact O-CB 3.27Å; A556-N560 PolarHBondContact O-N 3.19Å; A556-N560 PolarHBondContact O-ND2 3.03Å; Y557-N560 PolarHBondContact O-N 2.65Å; Y557-N560 VanDerWaalsContact O-N 3.14Å; N560-R562 VanDerWaalsContact C-N 3.33Å; N560-R562 PolarHBondContact O-N 3.04Å; N560-R562 VanDerWaalsContact O-N 3.17Å; N560-K563 CarbonylContact O-C 3.57Å; N560-K563 WeakPolarHBondContact O-CA 3.37Å; N560-K563 VanDerWaalsContact O-CB 3.32Å; N560-K563 WeakPolarHBondContact O-CB 3.32Å; N560-K563 PolarHBondContact O-N 2.92Å; N560-D564 PolarHBondContact O-N 3.19Å |
| 561 | A | 92.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 99 Ų | 99 | 24% | 0.24 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -55.2 | -42.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y557 H565 | Y557-A561 HydrophobicContact CD2-CB 4.15Å; Y557-A561 HydrophobicContact CE2-CB 3.84Å; Y557-A561 WeakPolarHBondContact O-CA 3.46Å; Y557-A561 WeakPolarHBondContact O-CB 3.49Å; Y557-A561 PolarHBondContact O-N 2.91Å; A561-H565 WeakPolarHBondContact O-CB 3.48Å; A561-H565 PolarHBondContact O-N 2.86Å |
| 562 | R | 91.5 | Very high | 92.9 | Very high | 211 Ų | 211 | 104.3 Ų | 104.3 | 80% | 0.796 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 174.3 | -70.4 | -174.3 | 177.3 | -176.8 | -0.4 | 112.3 | N560 Q566 | N560-R562 VanDerWaalsContact C-N 3.33Å; N560-R562 PolarHBondContact O-N 3.04Å; N560-R562 VanDerWaalsContact O-N 3.17Å; R562-Q566 WeakPolarHBondContact O-CB 3.35Å; R562-Q566 VanDerWaalsContact O-CG 3.23Å; R562-Q566 WeakPolarHBondContact O-CG 3.22Å; R562-Q566 PolarHBondContact O-N 3.07Å |
| 563 | K | 93.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 105.4 Ų | 105.4 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.5 | -44.5 | 179.1 | -56.2 | -175.2 | -179.8 | -172.9 | 0 | 111.7 | N560 Q566 R567 | N560-K563 CarbonylContact O-C 3.57Å; N560-K563 WeakPolarHBondContact O-CA 3.37Å; N560-K563 VanDerWaalsContact O-CB 3.32Å; N560-K563 WeakPolarHBondContact O-CB 3.32Å; N560-K563 PolarHBondContact O-N 2.92Å; K563-Q566 PolarHBondContact O-N 2.84Å; K563-R567 VanDerWaalsContact O-CB 3.29Å; K563-R567 WeakPolarHBondContact O-CB 3.34Å; K563-R567 PolarHBondContact O-N 3.41Å |
| 564 | D | 91.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 107.6 Ų | 107.6 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 177 | -71.9 | -45.5 | 0 | 0 | 0 | 111.2 | N560 R567 I568 | N560-D564 PolarHBondContact O-N 3.19Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 2.9Å; D564-I568 WeakPolarHBondContact O-CB 3.26Å; D564-I568 WeakPolarHBondContact O-CD1 3.2Å; D564-I568 WeakPolarHBondContact O-CG1 3.43Å; D564-I568 PolarHBondContact O-N 3.41Å |
| 565 | H | 93.1 | Very high | 92.3 | Very high | 114 Ų | 114 | 109.1 Ų | 109.1 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 170 | -178.2 | 71.7 | 0 | 0 | 0 | 111.9 | A561 R567 I568 L569 | A561-H565 WeakPolarHBondContact O-CB 3.48Å; A561-H565 PolarHBondContact O-N 2.86Å; H565-R567 VanDerWaalsContact C-N 3.31Å; H565-R567 PolarHBondContact O-N 2.92Å; H565-I568 PolarHBondContact O-N 3.21Å; H565-L569 WeakPolarHBondContact O-CG 3.42Å; H565-L569 PolarHBondContact O-N 3.45Å |
| 566 | Q | 91 | Very high | 92.1 | Very high | 128 Ų | 128 | 110.6 Ų | 110.6 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -40.4 | 173.5 | -75.9 | 169.2 | -20.7 | 0 | 0 | 112.2 | R562 K563 L569 A570 | R562-Q566 WeakPolarHBondContact O-CB 3.35Å; R562-Q566 VanDerWaalsContact O-CG 3.23Å; R562-Q566 WeakPolarHBondContact O-CG 3.22Å; R562-Q566 PolarHBondContact O-N 3.07Å; K563-Q566 PolarHBondContact O-N 2.84Å; Q566-L569 PolarHBondContact O-N 3.34Å; Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.91Å |
| 567 | R | 93.1 | Very high | 91.9 | Very high | 181 Ų | 181 | 113.2 Ų | 113.2 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -34.6 | 176 | -170.8 | -178.9 | -176.4 | -168 | 2.5 | 112.5 | K563 D564 H565 R571 | K563-R567 VanDerWaalsContact O-CB 3.29Å; K563-R567 WeakPolarHBondContact O-CB 3.34Å; K563-R567 PolarHBondContact O-N 3.41Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 2.9Å; H565-R567 VanDerWaalsContact C-N 3.31Å; H565-R567 PolarHBondContact O-N 2.92Å; R567-R571 WeakPolarHBondContact O-CB 3.48Å; R567-R571 PolarHBondContact O-N 3.19Å |
| 568 | I | 92.4 | Very high | 91.7 | Very high | 110 Ų | 110 | 113.7 Ų | 113.7 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.4 | -41.5 | 174 | -71.3 | 161.6 | 0 | 0 | 0 | 110.6 | D564 H565 R571 R572 | D564-I568 WeakPolarHBondContact O-CB 3.26Å; D564-I568 WeakPolarHBondContact O-CD1 3.2Å; D564-I568 WeakPolarHBondContact O-CG1 3.43Å; D564-I568 PolarHBondContact O-N 3.41Å; H565-I568 PolarHBondContact O-N 3.21Å; I568-R571 PolarHBondContact O-N 3.31Å; I568-R572 WeakPolarHBondContact O-CB 3.45Å; I568-R572 PolarHBondContact O-N 2.93Å |
| 569 | L | 92.1 | Very high | 91.8 | Very high | 77 Ų | 77 | 113.4 Ų | 113.4 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174.3 | -69.6 | 177 | 0 | 0 | 0 | 112 | H565 Q566 R571 R572 Q573 | H565-L569 WeakPolarHBondContact O-CG 3.42Å; H565-L569 PolarHBondContact O-N 3.45Å; Q566-L569 PolarHBondContact O-N 3.34Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 3.49Å; L569-R572 WeakPolarHBondContact O-CB 3.49Å; L569-R572 PolarHBondContact O-N 2.85Å; L569-R572 VanDerWaalsContact O-N 3.13Å; L569-Q573 WeakPolarHBondContact O-CG 3.47Å; L569-Q573 PolarHBondContact O-N 3.37Å |
| 570 | A | 92.1 | Very high | 91.5 | Very high | 45 Ų | 45 | 112 Ų | 112 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q566 R572 Q573 T574 | Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.91Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 2.7Å; A570-Q573 WeakPolarHBondContact O-CB 3.3Å; A570-Q573 PolarHBondContact O-N 3.39Å; A570-T574 PolarHBondContact O-N 3.05Å; A570-T574 PolarHBondContact O-OG1 2.83Å |
| 571 | R | 92.9 | Very high | 91.2 | Very high | 178 Ų | 178 | 115.1 Ų | 115.1 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -36.6 | 174 | -178.5 | -179.9 | 177.8 | -167.9 | -0.5 | 112.2 | R567 I568 L569 T574 I575 | R567-R571 WeakPolarHBondContact O-CB 3.48Å; R567-R571 PolarHBondContact O-N 3.19Å; I568-R571 PolarHBondContact O-N 3.31Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 3.49Å; R571-T574 PolarHBondContact O-N 3.43Å; R571-I575 HydrophobicContact CG-CD1 3.95Å; R571-I575 WeakPolarHBondContact O-CB 3.44Å; R571-I575 WeakPolarHBondContact O-CD1 3.42Å; R571-I575 VanDerWaalsContact O-CG1 3.22Å; R571-I575 WeakPolarHBondContact O-CG1 3.19Å; R571-I575 PolarHBondContact O-N 2.83Å |
| 572 | R | 93.4 | Very high | 90.8 | Very high | 148 Ų | 148 | 117.7 Ų | 117.7 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 173.5 | 176.6 | -173.3 | 161.4 | -164.7 | -11.7 | 110.3 | I568 L569 A570 T574 I575 E576 | I568-R572 WeakPolarHBondContact O-CB 3.45Å; I568-R572 PolarHBondContact O-N 2.93Å; L569-R572 WeakPolarHBondContact O-CB 3.49Å; L569-R572 PolarHBondContact O-N 2.85Å; L569-R572 VanDerWaalsContact O-N 3.13Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 2.7Å; R572-T574 PolarHBondContact O-N 3.09Å; R572-I575 CarbonylContact O-C 3.27Å; R572-I575 WeakPolarHBondContact O-CA 3.22Å; R572-I575 WeakPolarHBondContact O-CB 3.42Å; R572-I575 PolarHBondContact O-N 2.82Å; R572-E576 HydrophobicContact CG-CG 4.46Å; R572-E576 IonicContact CZ-OE1 2.94Å; R572-E576 IonicContact NE-OE1 2.73Å; R572-E576 PolarHBondContact NE-OE1 3.43Å; R572-E576 IonicContact NE-OE2 3.13Å; R572-E576 PolarHBondContact NE-OE2 2.75Å; R572-E576 IonicContact NH2-OE1 3.53Å; R572-E576 PolarHBondContact NH2-OE1 3.1Å; R572-E576 IonicContact NH2-OE2 3.05Å; R572-E576 WeakPolarHBondContact O-CG 3.39Å; R572-E576 PolarHBondContact O-N 2.82Å |
| 573 | Q | 91.1 | Very high | 90.5 | Very high | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 176 | -69.1 | 168.5 | -40.3 | 0 | 0 | 111.2 | L569 A570 I575 E576 E577 | L569-Q573 WeakPolarHBondContact O-CG 3.47Å; L569-Q573 PolarHBondContact O-N 3.37Å; A570-Q573 WeakPolarHBondContact O-CB 3.3Å; A570-Q573 PolarHBondContact O-N 3.39Å; Q573-I575 PolarHBondContact O-N 3.48Å; Q573-E576 PolarHBondContact O-N 3.38Å; Q573-E576 VanDerWaalsContact O-N 3.09Å; Q573-E577 WeakPolarHBondContact O-CG 3.29Å; Q573-E577 PolarHBondContact O-N 2.78Å |
| 574 | T | 91.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 108.4 Ų | 108.4 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -27.7 | 175.2 | -46.6 | 0 | 0 | 0 | 0 | 113.3 | A570 R571 R572 R578 | A570-T574 PolarHBondContact O-N 3.05Å; A570-T574 PolarHBondContact O-OG1 2.83Å; R571-T574 PolarHBondContact O-N 3.43Å; R572-T574 PolarHBondContact O-N 3.09Å; T574-R578 WeakPolarHBondContact O-CB 3.29Å; T574-R578 PolarHBondContact O-N 2.93Å; T574-R578 VanDerWaalsContact O-N 3.09Å |
| 575 | I | 87.8 | Confident | 89.9 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76 | -39.6 | 173.5 | -73.3 | 165.8 | 0 | 0 | 0 | 111 | R571 R572 Q573 R578 K579 | R571-I575 HydrophobicContact CG-CD1 3.95Å; R571-I575 WeakPolarHBondContact O-CB 3.44Å; R571-I575 WeakPolarHBondContact O-CD1 3.42Å; R571-I575 VanDerWaalsContact O-CG1 3.22Å; R571-I575 WeakPolarHBondContact O-CG1 3.19Å; R571-I575 PolarHBondContact O-N 2.83Å; R572-I575 CarbonylContact O-C 3.27Å; R572-I575 WeakPolarHBondContact O-CA 3.22Å; R572-I575 WeakPolarHBondContact O-CB 3.42Å; R572-I575 PolarHBondContact O-N 2.82Å; Q573-I575 PolarHBondContact O-N 3.48Å; I575-R578 PolarHBondContact O-N 2.88Å; I575-K579 WeakPolarHBondContact O-CB 3.32Å; I575-K579 PolarHBondContact O-N 3.18Å |
| 576 | E | 89.4 | Confident | 89.4 | Confident | 78 Ų | 78 | 107.3 Ų | 107.3 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -51.6 | 175.2 | -72 | 168 | 157.6 | 0 | 0 | 110.4 | R572 Q573 R578 K579 E580 | R572-E576 HydrophobicContact CG-CG 4.46Å; R572-E576 IonicContact CZ-OE1 2.94Å; R572-E576 IonicContact NE-OE1 2.73Å; R572-E576 PolarHBondContact NE-OE1 3.43Å; R572-E576 IonicContact NE-OE2 3.13Å; R572-E576 PolarHBondContact NE-OE2 2.75Å; R572-E576 IonicContact NH2-OE1 3.53Å; R572-E576 PolarHBondContact NH2-OE1 3.1Å; R572-E576 IonicContact NH2-OE2 3.05Å; R572-E576 WeakPolarHBondContact O-CG 3.39Å; R572-E576 PolarHBondContact O-N 2.82Å; Q573-E576 PolarHBondContact O-N 3.38Å; Q573-E576 VanDerWaalsContact O-N 3.09Å; E576-R578 PolarHBondContact O-N 2.79Å; E576-K579 WeakPolarHBondContact O-CA 3.34Å; E576-K579 WeakPolarHBondContact O-CB 3.14Å; E576-K579 PolarHBondContact O-N 3.01Å; E576-E580 WeakPolarHBondContact O-CG 3.23Å; E576-E580 PolarHBondContact O-N 2.78Å |
| 577 | E | 90.9 | Very high | 89.3 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.9 | -34.8 | 172.1 | -66.8 | 167.6 | -160.2 | 0 | 0 | 113.4 | Q573 R581 | Q573-E577 WeakPolarHBondContact O-CG 3.29Å; Q573-E577 PolarHBondContact O-N 2.78Å; E577-R581 WeakPolarHBondContact O-CB 3.1Å; E577-R581 WeakPolarHBondContact O-CG 3.37Å; E577-R581 PolarHBondContact O-N 2.84Å; E577-R581 VanDerWaalsContact O-N 3.1Å; E577-R581 PolarHBondContact O-NE 2.9Å; E577-R581 IonicContact OE2-NH2 3.51Å; E577-R581 PolarHBondContact OE2-NH2 3.23Å |
| 578 | R | 89.9 | Confident | 88.8 | Confident | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -76.1 | -33.8 | 178.1 | -177.1 | 176 | -178.4 | -174 | 1.3 | 111 | T574 I575 E576 L582 | T574-R578 WeakPolarHBondContact O-CB 3.29Å; T574-R578 PolarHBondContact O-N 2.93Å; T574-R578 VanDerWaalsContact O-N 3.09Å; I575-R578 PolarHBondContact O-N 2.88Å; E576-R578 PolarHBondContact O-N 2.79Å; R578-L582 HydrophobicContact CG-CD1 4.21Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.28Å; R578-L582 WeakPolarHBondContact O-CG 3.46Å; R578-L582 PolarHBondContact O-N 3.35Å |
| 579 | K | 92.6 | Very high | 88.4 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -50.1 | 172.3 | -177.6 | -168.4 | 160.9 | -167.7 | 0 | 109.7 | I575 E576 R581 L582 E583 | I575-K579 WeakPolarHBondContact O-CB 3.32Å; I575-K579 PolarHBondContact O-N 3.18Å; E576-K579 WeakPolarHBondContact O-CA 3.34Å; E576-K579 WeakPolarHBondContact O-CB 3.14Å; E576-K579 PolarHBondContact O-N 3.01Å; K579-R581 VanDerWaalsContact C-N 3.31Å; K579-R581 PolarHBondContact O-N 3.22Å; K579-L582 CarbonylContact O-C 3.47Å; K579-L582 PolarHBondContact O-N 3.49Å; K579-E583 WeakPolarHBondContact CE-OE1 3.31Å; K579-E583 WeakPolarHBondContact CE-OE2 3.32Å; K579-E583 HydrophobicContact CG-CG 4.42Å; K579-E583 IonicContact NZ-OE1 3.34Å; K579-E583 PolarHBondContact NZ-OE1 3.11Å; K579-E583 WeakPolarHBondContact O-CG 3.22Å; K579-E583 PolarHBondContact O-N 3.37Å |
| 580 | E | 87.4 | Confident | 87.9 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 176.5 | -69 | 173.8 | 169.8 | 0 | 0 | 112.4 | E576 E583 S584 | E576-E580 WeakPolarHBondContact O-CG 3.23Å; E576-E580 PolarHBondContact O-N 2.78Å; E580-E583 PolarHBondContact O-N 2.86Å; E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 PolarHBondContact O-OG 3.11Å |
| 581 | R | 85.7 | Confident | 87.7 | Confident | 132 Ų | 132 | 108.5 Ų | 108.5 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 172.7 | -79.6 | 177 | -79.9 | 174.6 | -15.3 | 113.5 | E577 K579 S584 L585 | E577-R581 WeakPolarHBondContact O-CB 3.1Å; E577-R581 WeakPolarHBondContact O-CG 3.37Å; E577-R581 PolarHBondContact O-N 2.84Å; E577-R581 VanDerWaalsContact O-N 3.1Å; E577-R581 PolarHBondContact O-NE 2.9Å; E577-R581 IonicContact OE2-NH2 3.51Å; E577-R581 PolarHBondContact OE2-NH2 3.23Å; K579-R581 VanDerWaalsContact C-N 3.31Å; K579-R581 PolarHBondContact O-N 3.22Å; R581-S584 WeakPolarHBondContact CA-OG 3.4Å; R581-S584 PolarHBondContact O-OG 3.18Å; R581-L585 WeakPolarHBondContact O-CB 3.27Å; R581-L585 WeakPolarHBondContact O-CD1 3.46Å; R581-L585 VanDerWaalsContact O-CG 3.22Å; R581-L585 WeakPolarHBondContact O-CG 3.24Å; R581-L585 PolarHBondContact O-N 3.23Å; R581-L585 VanDerWaalsContact O-N 3.11Å |
| 582 | L | 84.1 | Confident | 87.1 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 44% | 0.44 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -76.1 | -35.5 | 175.3 | -72.8 | 169 | 0 | 0 | 0 | 112.1 | R578 K579 L585 N586 | R578-L582 HydrophobicContact CG-CD1 4.21Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.28Å; R578-L582 WeakPolarHBondContact O-CG 3.46Å; R578-L582 PolarHBondContact O-N 3.35Å; K579-L582 CarbonylContact O-C 3.47Å; K579-L582 PolarHBondContact O-N 3.49Å; L582-L585 PolarHBondContact O-N 3.07Å; L582-N586 WeakPolarHBondContact O-CB 3.45Å; L582-N586 PolarHBondContact O-N 2.91Å; L582-N586 PolarHBondContact O-OD1 3.42Å |
| 583 | E | 85.8 | Confident | 86.6 | Confident | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 175.3 | -73.5 | 175.5 | 154.7 | 0 | 0 | 110.9 | K579 E580 N586 I587 | K579-E583 WeakPolarHBondContact CE-OE1 3.31Å; K579-E583 WeakPolarHBondContact CE-OE2 3.32Å; K579-E583 HydrophobicContact CG-CG 4.42Å; K579-E583 IonicContact NZ-OE1 3.34Å; K579-E583 PolarHBondContact NZ-OE1 3.11Å; K579-E583 WeakPolarHBondContact O-CG 3.22Å; K579-E583 PolarHBondContact O-N 3.37Å; E580-E583 PolarHBondContact O-N 2.86Å; E583-N586 PolarHBondContact O-N 3.43Å; E583-I587 WeakPolarHBondContact O-CD1 3.41Å; E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.41Å; E583-I587 PolarHBondContact O-N 2.64Å |
| 584 | S | 87.1 | Confident | 86.1 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 173.1 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | E580 R581 N586 I587 Q588 | E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 PolarHBondContact O-OG 3.11Å; R581-S584 WeakPolarHBondContact CA-OG 3.4Å; R581-S584 PolarHBondContact O-OG 3.18Å; S584-N586 VanDerWaalsContact C-N 3.3Å; S584-N586 PolarHBondContact O-N 3.36Å; S584-I587 PolarHBondContact O-N 3.2Å; S584-Q588 WeakPolarHBondContact O-CB 3.42Å; S584-Q588 WeakPolarHBondContact O-CG 3.12Å; S584-Q588 PolarHBondContact O-N 3.41Å |
| 585 | L | 85.6 | Confident | 85.7 | Confident | 88 Ų | 88 | 102.8 Ų | 102.8 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.8 | -21.6 | 171.8 | -75.2 | 169.5 | 0 | 0 | 0 | 113.9 | R581 L582 R589 | R581-L585 WeakPolarHBondContact O-CB 3.27Å; R581-L585 WeakPolarHBondContact O-CD1 3.46Å; R581-L585 VanDerWaalsContact O-CG 3.22Å; R581-L585 WeakPolarHBondContact O-CG 3.24Å; R581-L585 PolarHBondContact O-N 3.23Å; R581-L585 VanDerWaalsContact O-N 3.11Å; L582-L585 PolarHBondContact O-N 3.07Å; L585-R589 WeakPolarHBondContact O-CG 3.5Å; L585-R589 PolarHBondContact O-N 3.03Å; L585-R589 PolarHBondContact O-NE 3.47Å |
| 586 | N | 82.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 103 Ų | 103 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.5 | -48.8 | 169.9 | -75.8 | 3.7 | 0 | 0 | 0 | 110.5 | L582 E583 S584 Q588 R589 E590 | L582-N586 WeakPolarHBondContact O-CB 3.45Å; L582-N586 PolarHBondContact O-N 2.91Å; L582-N586 PolarHBondContact O-OD1 3.42Å; E583-N586 PolarHBondContact O-N 3.43Å; S584-N586 VanDerWaalsContact C-N 3.3Å; S584-N586 PolarHBondContact O-N 3.36Å; N586-Q588 PolarHBondContact O-N 2.94Å; N586-R589 CarbonylContact O-C 3.59Å; N586-R589 PolarHBondContact O-N 2.9Å; N586-R589 PolarHBondContact OD1-NH2 2.94Å; N586-E590 WeakPolarHBondContact O-CG 3.41Å; N586-E590 PolarHBondContact O-N 3.33Å |
| 587 | I | 88.3 | Confident | 84.8 | Confident | 89 Ų | 89 | 102.6 Ų | 102.6 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -34 | 177.5 | -67.7 | 161.9 | 0 | 0 | 0 | 111.5 | E583 S584 K591 | E583-I587 WeakPolarHBondContact O-CD1 3.41Å; E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.41Å; E583-I587 PolarHBondContact O-N 2.64Å; S584-I587 PolarHBondContact O-N 3.2Å; I587-K591 VanDerWaalsContact O-CG 3.31Å; I587-K591 WeakPolarHBondContact O-CG 3.41Å; I587-K591 PolarHBondContact O-N 3.43Å |
| 588 | Q | 82.6 | Confident | 84.2 | Confident | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 171.9 | -77.3 | 173.1 | -14.5 | 0 | 0 | 112 | S584 N586 K591 E592 | S584-Q588 WeakPolarHBondContact O-CB 3.42Å; S584-Q588 WeakPolarHBondContact O-CG 3.12Å; S584-Q588 PolarHBondContact O-N 3.41Å; N586-Q588 PolarHBondContact O-N 2.94Å; Q588-K591 WeakPolarHBondContact O-CB 3.28Å; Q588-K591 PolarHBondContact O-N 3.2Å; Q588-E592 WeakPolarHBondContact O-CG 3.34Å; Q588-E592 PolarHBondContact O-N 2.95Å |
| 589 | R | 83.7 | Confident | 83.8 | Confident | 129 Ų | 129 | 96.8 Ų | 96.8 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68 | -37 | 178.2 | -74.9 | -179.3 | -70.8 | 174 | 0.3 | 113.3 | L585 N586 K591 E592 E593 | L585-R589 WeakPolarHBondContact O-CG 3.5Å; L585-R589 PolarHBondContact O-N 3.03Å; L585-R589 PolarHBondContact O-NE 3.47Å; N586-R589 CarbonylContact O-C 3.59Å; N586-R589 PolarHBondContact O-N 2.9Å; N586-R589 PolarHBondContact OD1-NH2 2.94Å; R589-K591 VanDerWaalsContact C-N 3.3Å; R589-K591 PolarHBondContact O-N 3.41Å; R589-E592 PolarHBondContact O-N 3.42Å; R589-E593 PolarHBondContact O-N 2.87Å |
| 590 | E | 82.9 | Confident | 83 | Confident | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.542 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 172.4 | -73.1 | 168.1 | -179 | 0 | 0 | 110.7 | N586 E593 L594 | N586-E590 WeakPolarHBondContact O-CG 3.41Å; N586-E590 PolarHBondContact O-N 3.33Å; E590-E593 PolarHBondContact O-N 3.27Å; E590-L594 WeakPolarHBondContact O-CB 3.31Å; E590-L594 WeakPolarHBondContact O-CD1 3.42Å; E590-L594 VanDerWaalsContact O-CG 3.24Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 3.44Å |
| 591 | K | 87.8 | Confident | 82.3 | Confident | 124 Ų | 124 | 90 Ų | 90 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 172.4 | -73.5 | 176.2 | 178.5 | -171.4 | 0 | 113.5 | I587 Q588 R589 E593 L594 E595 | I587-K591 VanDerWaalsContact O-CG 3.31Å; I587-K591 WeakPolarHBondContact O-CG 3.41Å; I587-K591 PolarHBondContact O-N 3.43Å; Q588-K591 WeakPolarHBondContact O-CB 3.28Å; Q588-K591 PolarHBondContact O-N 3.2Å; R589-K591 VanDerWaalsContact C-N 3.3Å; R589-K591 PolarHBondContact O-N 3.41Å; K591-E593 VanDerWaalsContact C-N 3.27Å; K591-E593 PolarHBondContact O-N 2.95Å; K591-L594 PolarHBondContact O-N 3.1Å; K591-E595 WeakPolarHBondContact O-CG 3.46Å; K591-E595 PolarHBondContact O-N 3.4Å |
| 592 | E | 80.2 | Confident | 81.9 | Confident | 113 Ų | 113 | 88.4 Ų | 88.4 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -31.4 | 175.8 | -73 | 175.5 | -179.5 | 0 | 0 | 112.2 | Q588 R589 Q596 | Q588-E592 WeakPolarHBondContact O-CG 3.34Å; Q588-E592 PolarHBondContact O-N 2.95Å; R589-E592 PolarHBondContact O-N 3.42Å; E592-Q596 WeakPolarHBondContact O-CB 3.37Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3Å; E592-Q596 PolarHBondContact O-NE2 2.74Å |
| 593 | E | 82.9 | Confident | 81.8 | Confident | 98 Ų | 98 | 90 Ų | 90 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.5 | -49.3 | 169.8 | -75.9 | -169.2 | -150.5 | 0 | 0 | 111.5 | R589 E590 K591 E595 Q596 R597 | R589-E593 PolarHBondContact O-N 2.87Å; E590-E593 PolarHBondContact O-N 3.27Å; K591-E593 VanDerWaalsContact C-N 3.27Å; K591-E593 PolarHBondContact O-N 2.95Å; E593-E595 PolarHBondContact O-N 3.42Å; E593-Q596 WeakPolarHBondContact O-CB 3.48Å; E593-Q596 PolarHBondContact O-N 2.94Å; E593-R597 VanDerWaalsContact O-CB 3.31Å; E593-R597 WeakPolarHBondContact O-CB 3.43Å; E593-R597 VanDerWaalsContact O-CG 3.26Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.15Å; E593-R597 IonicContact OE2-CZ 2.82Å; E593-R597 IonicContact OE2-NE 3.61Å; E593-R597 IonicContact OE2-NH2 2.69Å; E593-R597 PolarHBondContact OE2-NH2 3.06Å |
| 594 | L | 80.4 | Confident | 81.6 | Confident | 52 Ų | 52 | 89.6 Ų | 89.6 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -54.7 | -48.2 | 176.7 | -73.6 | 160.9 | 0 | 0 | 0 | 111.7 | E590 K591 Q596 R597 E598 D985 | E590-L594 WeakPolarHBondContact O-CB 3.31Å; E590-L594 WeakPolarHBondContact O-CD1 3.42Å; E590-L594 VanDerWaalsContact O-CG 3.24Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 3.44Å; K591-L594 PolarHBondContact O-N 3.1Å; L594-Q596 PolarHBondContact O-N 3.05Å; L594-R597 PolarHBondContact O-N 3.36Å; L594-E598 PolarHBondContact O-N 2.8Å; L594-D985 HydrophobicContact CD2-CB 3.98Å |
| 595 | E | 81.8 | Confident | 81 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 177.7 | -74.5 | -177.6 | -164 | 0 | 0 | 112.9 | K591 E593 A599 | K591-E595 WeakPolarHBondContact O-CG 3.46Å; K591-E595 PolarHBondContact O-N 3.4Å; E593-E595 PolarHBondContact O-N 3.42Å; E595-A599 VanDerWaalsContact O-CB 3.23Å; E595-A599 WeakPolarHBondContact O-CB 3.26Å; E595-A599 PolarHBondContact O-N 3.34Å |
| 596 | Q | 78.4 | Confident | 80.7 | Confident | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.7 | -81.3 | 172.5 | 90 | 0 | 0 | 110.8 | E592 E593 L594 A599 E600 | E592-Q596 WeakPolarHBondContact O-CB 3.37Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3Å; E592-Q596 PolarHBondContact O-NE2 2.74Å; E593-Q596 WeakPolarHBondContact O-CB 3.48Å; E593-Q596 PolarHBondContact O-N 2.94Å; L594-Q596 PolarHBondContact O-N 3.05Å; Q596-A599 CarbonylContact O-C 3.35Å; Q596-A599 WeakPolarHBondContact O-CA 3.39Å; Q596-A599 WeakPolarHBondContact O-CB 3.43Å; Q596-A599 PolarHBondContact O-N 2.9Å; Q596-A599 VanDerWaalsContact O-N 3.12Å; Q596-E600 WeakPolarHBondContact O-CG 3.45Å; Q596-E600 PolarHBondContact O-N 3.09Å; Q596-E600 VanDerWaalsContact O-OE1 3.1Å |
| 597 | R | 80.5 | Confident | 80.5 | Confident | 69 Ų | 69 | 96.2 Ų | 96.2 | 26% | 0.26 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | -175.9 | -72.2 | -158.2 | -125.3 | 156.7 | 7.9 | 112.7 | E593 L594 E600 M601 A983 G984 D985 | E593-R597 VanDerWaalsContact O-CB 3.31Å; E593-R597 WeakPolarHBondContact O-CB 3.43Å; E593-R597 VanDerWaalsContact O-CG 3.26Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.15Å; E593-R597 IonicContact OE2-CZ 2.82Å; E593-R597 IonicContact OE2-NE 3.61Å; E593-R597 IonicContact OE2-NH2 2.69Å; E593-R597 PolarHBondContact OE2-NH2 3.06Å; L594-R597 PolarHBondContact O-N 3.36Å; R597-E600 WeakPolarHBondContact O-CB 3.41Å; R597-E600 PolarHBondContact O-N 3.08Å; R597-M601 PolarHBondContact O-N 3.14Å; R597-M601 VanDerWaalsContact O-N 3.15Å; R597-A983 HydrophobicContact CG-CB 4.02Å; R597-G984 WeakPolarHBondContact CD-O 3.47Å; R597-D985 HydrophobicContact CB-CB 3.78Å; R597-D985 WeakPolarHBondContact CD-OD2 3.37Å; R597-D985 IonicContact CZ-OD1 3.63Å; R597-D985 IonicContact CZ-OD2 2.89Å; R597-D985 IonicContact NE-OD2 3.38Å; R597-D985 PolarHBondContact NE-OD2 3.43Å; R597-D985 VanDerWaalsContact NE-OD2 3.1Å; R597-D985 IonicContact NH1-OD1 2.93Å; R597-D985 PolarHBondContact NH1-OD1 3.32Å; R597-D985 IonicContact NH1-OD2 2.99Å; R597-D985 PolarHBondContact NH1-OD2 2.95Å; R597-D985 IonicContact NH2-OD2 3.45Å |
| 598 | E | 77.3 | Confident | 79.8 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 164 | -81.7 | -151.4 | 119.5 | 0 | 0 | 111.7 | L594 E600 M601 Q602 | L594-E598 PolarHBondContact O-N 2.8Å; E598-E600 PolarHBondContact O-N 3.2Å; E598-M601 PolarHBondContact O-N 3.47Å; E598-Q602 WeakPolarHBondContact O-CG 3.18Å; E598-Q602 PolarHBondContact O-N 3.49Å |
| 599 | A | 82.4 | Confident | 79.3 | Confident | 35 Ų | 35 | 96.9 Ų | 96.9 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | 7.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | E595 Q596 R982 | E595-A599 VanDerWaalsContact O-CB 3.23Å; E595-A599 WeakPolarHBondContact O-CB 3.26Å; E595-A599 PolarHBondContact O-N 3.34Å; Q596-A599 CarbonylContact O-C 3.35Å; Q596-A599 WeakPolarHBondContact O-CA 3.39Å; Q596-A599 WeakPolarHBondContact O-CB 3.43Å; Q596-A599 PolarHBondContact O-N 2.9Å; Q596-A599 VanDerWaalsContact O-N 3.12Å; A599-R982 PolarHBondContact O-NH1 3.24Å |
| 600 | E | 76.6 | Confident | 78.8 | Confident | 13 Ų | 13 | 96.4 Ų | 96.4 | 6% | 0.061 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -114.4 | -45.3 | 177.9 | -71.4 | 153.9 | -166.8 | 0 | 0 | 109.9 | Q596 R597 E598 Q602 K603 V604 R982 A983 | Q596-E600 WeakPolarHBondContact O-CG 3.45Å; Q596-E600 PolarHBondContact O-N 3.09Å; Q596-E600 VanDerWaalsContact O-OE1 3.1Å; R597-E600 WeakPolarHBondContact O-CB 3.41Å; R597-E600 PolarHBondContact O-N 3.08Å; E598-E600 PolarHBondContact O-N 3.2Å; E600-Q602 PolarHBondContact O-N 3.48Å; E600-K603 WeakPolarHBondContact O-CA 3.29Å; E600-K603 WeakPolarHBondContact O-CB 3.5Å; E600-K603 PolarHBondContact O-N 2.89Å; E600-V604 PolarHBondContact O-N 2.97Å; E600-R982 VanDerWaalsContact CD-CG 3.43Å; E600-R982 HydrophobicContact CG-CB 3.83Å; E600-R982 HydrophobicContact CG-CG 3.73Å; E600-R982 VanDerWaalsContact CG-CZ 3.43Å; E600-R982 WeakPolarHBondContact OE1-CD 3.49Å; E600-R982 WeakPolarHBondContact OE1-CG 3.42Å; E600-R982 IonicContact OE1-CZ 2.78Å; E600-R982 IonicContact OE1-NE 3.19Å; E600-R982 PolarHBondContact OE1-NE 3.27Å; E600-R982 IonicContact OE1-NH1 2.79Å; E600-R982 IonicContact OE1-NH2 2.65Å; E600-R982 PolarHBondContact OE1-NH2 3.23Å; E600-A983 WeakPolarHBondContact CB-O 3.38Å; E600-A983 WeakPolarHBondContact OE2-CA 3Å; E600-A983 WeakPolarHBondContact OE2-CB 3.4Å; E600-A983 PolarHBondContact OE2-N 3.26Å |
| 601 | M | 71.7 | Confident | 78.6 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.4 | -39.8 | 162.9 | -69.3 | -66.2 | -81.4 | 0 | 0 | 112 | R597 E598 K603 V604 R605 | R597-M601 PolarHBondContact O-N 3.14Å; R597-M601 VanDerWaalsContact O-N 3.15Å; E598-M601 PolarHBondContact O-N 3.47Å; M601-K603 VanDerWaalsContact C-N 3.27Å; M601-K603 PolarHBondContact O-N 2.85Å; M601-V604 PolarHBondContact O-N 3.5Å; M601-R605 WeakPolarHBondContact O-CG 3.37Å; M601-R605 PolarHBondContact O-N 3.13Å; M601-R605 VanDerWaalsContact O-N 3.11Å |
| 602 | Q | 77 | Confident | 77.9 | Confident | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -25 | 172.7 | -71.5 | -174.6 | 29.6 | 0 | 0 | 114.1 | E598 E600 K606 | E598-Q602 WeakPolarHBondContact O-CG 3.18Å; E598-Q602 PolarHBondContact O-N 3.49Å; E600-Q602 PolarHBondContact O-N 3.48Å; Q602-K606 WeakPolarHBondContact O-CG 3.36Å; Q602-K606 PolarHBondContact O-N 3.29Å |
| 603 | K | 81.3 | Confident | 77.6 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84.3 | -37.6 | 176.2 | -75.9 | -178.5 | -179 | 173.5 | 0 | 112.1 | E600 M601 K606 A607 | E600-K603 WeakPolarHBondContact O-CA 3.29Å; E600-K603 WeakPolarHBondContact O-CB 3.5Å; E600-K603 PolarHBondContact O-N 2.89Å; M601-K603 VanDerWaalsContact C-N 3.27Å; M601-K603 PolarHBondContact O-N 2.85Å; K603-K606 PolarHBondContact O-N 3.03Å; K603-A607 PolarHBondContact O-N 3.46Å |
| 604 | V | 81.6 | Confident | 77.1 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 171.8 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | E600 M601 K606 A607 E608 | E600-V604 PolarHBondContact O-N 2.97Å; M601-V604 PolarHBondContact O-N 3.5Å; V604-K606 VanDerWaalsContact C-N 3.29Å; V604-K606 PolarHBondContact O-N 3.21Å; V604-A607 PolarHBondContact O-N 2.96Å; V604-E608 HydrophobicContact CG1-CG 4.46Å; V604-E608 PolarHBondContact O-N 3.4Å |
| 605 | R | 76.1 | Confident | 76.7 | Confident | 171 Ų | 171 | 101.3 Ų | 101.3 | 65% | 0.645 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -55.7 | -40 | 176.8 | -71.4 | 178.3 | -177.3 | 172.8 | 4.1 | 113.4 | M601 E609 | M601-R605 WeakPolarHBondContact O-CG 3.37Å; M601-R605 PolarHBondContact O-N 3.13Å; M601-R605 VanDerWaalsContact O-N 3.11Å; R605-E609 PolarHBondContact O-N 2.89Å |
| 606 | K | 78.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 97.2 Ų | 97.2 | 55% | 0.548 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 176.8 | -74.2 | 173 | -179.2 | 174.5 | 0 | 112.3 | Q602 K603 V604 E609 E610 | Q602-K606 WeakPolarHBondContact O-CG 3.36Å; Q602-K606 PolarHBondContact O-N 3.29Å; K603-K606 PolarHBondContact O-N 3.03Å; V604-K606 VanDerWaalsContact C-N 3.29Å; V604-K606 PolarHBondContact O-N 3.21Å; K606-E609 PolarHBondContact O-N 3.5Å; K606-E610 WeakPolarHBondContact O-CB 3.35Å; K606-E610 WeakPolarHBondContact O-CG 3.45Å; K606-E610 PolarHBondContact O-N 3.46Å |
| 607 | A | 79.5 | Confident | 76 | Confident | 56 Ų | 56 | 98.4 Ų | 98.4 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K603 V604 E610 R611 | K603-A607 PolarHBondContact O-N 3.46Å; V604-A607 PolarHBondContact O-N 2.96Å; A607-E610 PolarHBondContact O-N 2.91Å; A607-R611 PolarHBondContact O-N 3.48Å |
| 608 | E | 72.4 | Confident | 75.4 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 172.1 | -70.1 | -177.6 | 133.6 | 0 | 0 | 111.7 | V604 E610 R611 L612 | V604-E608 HydrophobicContact CG1-CG 4.46Å; V604-E608 PolarHBondContact O-N 3.4Å; E608-E610 VanDerWaalsContact C-N 3.35Å; E608-E610 PolarHBondContact O-N 2.76Å; E608-R611 PolarHBondContact O-N 2.77Å; E608-L612 PolarHBondContact O-N 3.38Å |
| 609 | E | 71.4 | Confident | 74.8 | Confident | 94 Ų | 94 | 102.9 Ų | 102.9 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.7 | -158.3 | -166.1 | 163.8 | 0 | 0 | 111.7 | R605 K606 L612 R613 | R605-E609 PolarHBondContact O-N 2.89Å; K606-E609 PolarHBondContact O-N 3.5Å; E609-L612 PolarHBondContact O-N 3.02Å; E609-R613 WeakPolarHBondContact O-CB 3.16Å; E609-R613 WeakPolarHBondContact O-CD 3.24Å; E609-R613 WeakPolarHBondContact O-CG 3.29Å; E609-R613 PolarHBondContact O-N 3.49Å; E609-R613 IonicContact OE1-CZ 2.98Å; E609-R613 IonicContact OE1-NE 3.97Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.76Å; E609-R613 PolarHBondContact OE1-NH2 3.42Å; E609-R613 IonicContact OE2-NH2 2.85Å |
| 610 | E | 73.4 | Confident | 73.8 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 174.6 | -76.7 | 179.9 | 178.7 | 0 | 0 | 112.4 | K606 A607 E608 R613 Q614 | K606-E610 WeakPolarHBondContact O-CB 3.35Å; K606-E610 WeakPolarHBondContact O-CG 3.45Å; K606-E610 PolarHBondContact O-N 3.46Å; A607-E610 PolarHBondContact O-N 2.91Å; E608-E610 VanDerWaalsContact C-N 3.35Å; E608-E610 PolarHBondContact O-N 2.76Å; E610-R613 PolarHBondContact O-N 3.08Å; E610-Q614 VanDerWaalsContact O-CG 3.32Å; E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.44Å |
| 611 | R | 79.6 | Confident | 73.3 | Confident | 161 Ų | 161 | 112.5 Ų | 112.5 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -47.5 | 171.4 | -97.8 | -146.8 | 64 | -160.4 | -10.6 | 112.4 | A607 E608 R613 Q614 E615 | A607-R611 PolarHBondContact O-N 3.48Å; E608-R611 PolarHBondContact O-N 2.77Å; R611-R613 VanDerWaalsContact C-N 3.31Å; R611-R613 PolarHBondContact O-N 3.28Å; R611-Q614 PolarHBondContact O-N 3.3Å; R611-Q614 VanDerWaalsContact O-N 3.14Å; R611-E615 IonicContact NH2-OE2 2.65Å; R611-E615 PolarHBondContact O-N 2.92Å |
| 612 | L | 73 | Confident | 73 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | 177.3 | -77.7 | 163.3 | 0 | 0 | 0 | 111.8 | E608 E609 Q614 E615 A616 | E608-L612 PolarHBondContact O-N 3.38Å; E609-L612 PolarHBondContact O-N 3.02Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; L612-Q614 PolarHBondContact O-N 2.76Å; L612-E615 PolarHBondContact O-N 2.98Å; L612-A616 WeakPolarHBondContact O-CB 3.45Å; L612-A616 PolarHBondContact O-N 3.3Å |
| 613 | R | 73.8 | Confident | 72.5 | Confident | 140 Ų | 140 | 118.3 Ų | 118.3 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.1 | -26.9 | 174.2 | -72.8 | 166.4 | 174.7 | -141.4 | 2.2 | 113.3 | E609 E610 R611 K617 | E609-R613 WeakPolarHBondContact O-CB 3.16Å; E609-R613 WeakPolarHBondContact O-CD 3.24Å; E609-R613 WeakPolarHBondContact O-CG 3.29Å; E609-R613 PolarHBondContact O-N 3.49Å; E609-R613 IonicContact OE1-CZ 2.98Å; E609-R613 IonicContact OE1-NE 3.97Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.76Å; E609-R613 PolarHBondContact OE1-NH2 3.42Å; E609-R613 IonicContact OE2-NH2 2.85Å; E610-R613 PolarHBondContact O-N 3.08Å; R611-R613 VanDerWaalsContact C-N 3.31Å; R611-R613 PolarHBondContact O-N 3.28Å; R613-K617 WeakPolarHBondContact O-CD 3.23Å; R613-K617 VanDerWaalsContact O-CG 3.23Å; R613-K617 WeakPolarHBondContact O-CG 3.46Å; R613-K617 PolarHBondContact O-N 3.24Å |
| 614 | Q | 72.1 | Confident | 71.5 | Confident | 120 Ų | 120 | 117.1 Ų | 117.1 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.8 | -49.4 | 172.5 | -73.1 | 169.6 | 13.6 | 0 | 0 | 110.7 | E610 R611 L612 A616 K617 E618 | E610-Q614 VanDerWaalsContact O-CG 3.32Å; E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.44Å; R611-Q614 PolarHBondContact O-N 3.3Å; R611-Q614 VanDerWaalsContact O-N 3.14Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; L612-Q614 PolarHBondContact O-N 2.76Å; Q614-A616 VanDerWaalsContact C-N 3.29Å; Q614-A616 PolarHBondContact O-N 2.76Å; Q614-K617 WeakPolarHBondContact O-CB 3.46Å; Q614-K617 PolarHBondContact O-N 3.31Å; Q614-E618 PolarHBondContact O-N 3.05Å |
| 615 | E | 73.4 | Confident | 70.3 | Confident | 73 Ų | 73 | 119.7 Ų | 119.7 | 34% | 0.341 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 179.5 | -163.5 | -168.6 | 114.6 | 0 | 0 | 112.9 | R611 L612 R619 | R611-E615 IonicContact NH2-OE2 2.65Å; R611-E615 PolarHBondContact O-N 2.92Å; L612-E615 PolarHBondContact O-N 2.98Å; E615-R619 PolarHBondContact O-N 3.05Å; E615-R619 IonicContact OE1-CZ 3.86Å; E615-R619 IonicContact OE1-NH2 3.3Å; E615-R619 PolarHBondContact OE1-NH2 3.21Å |
| 616 | A | 71.3 | Confident | 69.6 | Low | 45 Ų | 45 | 117.9 Ų | 117.9 | 37% | 0.372 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | L612 Q614 E618 R619 E620 | L612-A616 WeakPolarHBondContact O-CB 3.45Å; L612-A616 PolarHBondContact O-N 3.3Å; Q614-A616 VanDerWaalsContact C-N 3.29Å; Q614-A616 PolarHBondContact O-N 2.76Å; A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.21Å; A616-R619 PolarHBondContact O-N 3.4Å; A616-E620 PolarHBondContact O-N 3.47Å |
| 617 | K | 72.5 | Confident | 68.5 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -27 | 179.3 | -76.1 | 172.8 | -178.1 | -179.9 | 0 | 113.2 | R613 Q614 K621 | R613-K617 WeakPolarHBondContact O-CD 3.23Å; R613-K617 VanDerWaalsContact O-CG 3.23Å; R613-K617 WeakPolarHBondContact O-CG 3.46Å; R613-K617 PolarHBondContact O-N 3.24Å; Q614-K617 WeakPolarHBondContact O-CB 3.46Å; Q614-K617 PolarHBondContact O-N 3.31Å; K617-K621 WeakPolarHBondContact O-CD 3.49Å; K617-K621 WeakPolarHBondContact O-CG 3.4Å; K617-K621 PolarHBondContact O-N 2.91Å; K617-K621 VanDerWaalsContact O-N 3.1Å |
| 618 | E | 67.9 | Low | 67.5 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.7 | -45.7 | 174.2 | -72.2 | 173.9 | 161.2 | 0 | 0 | 110.8 | Q614 A616 E620 K621 E622 | Q614-E618 PolarHBondContact O-N 3.05Å; A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.21Å; E618-E620 VanDerWaalsContact C-N 3.3Å; E618-E620 PolarHBondContact O-N 2.94Å; E618-K621 PolarHBondContact O-N 2.95Å; E618-K621 VanDerWaalsContact O-N 3.15Å; E618-E622 PolarHBondContact O-N 2.91Å |
| 619 | R | 64.6 | Low | 66.8 | Low | 147 Ų | 147 | 120.1 Ų | 120.1 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -27.7 | 173.7 | -74.2 | -173.4 | -85.6 | 151.1 | -17.1 | 114.3 | E615 A616 | E615-R619 PolarHBondContact O-N 3.05Å; E615-R619 IonicContact OE1-CZ 3.86Å; E615-R619 IonicContact OE1-NH2 3.3Å; E615-R619 PolarHBondContact OE1-NH2 3.21Å; A616-R619 PolarHBondContact O-N 3.4Å |
| 620 | E | 61.3 | Low | 66 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.3 | -43.6 | 169.6 | -73.2 | -176.4 | 143.4 | 0 | 0 | 112.2 | A616 E618 E622 R623 I624 | A616-E620 PolarHBondContact O-N 3.47Å; E618-E620 VanDerWaalsContact C-N 3.3Å; E618-E620 PolarHBondContact O-N 2.94Å; E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 3.34Å; E620-R623 PolarHBondContact O-N 3.07Å; E620-I624 WeakPolarHBondContact O-CG1 3.21Å; E620-I624 PolarHBondContact O-N 2.89Å |
| 621 | K | 67.3 | Low | 65.2 | Low | 129 Ų | 129 | 121.3 Ų | 121.3 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.3 | -41.3 | 177.5 | -75.6 | 165.8 | -176.2 | 176 | 0 | 112.4 | K617 E618 R623 I624 M625 | K617-K621 WeakPolarHBondContact O-CD 3.49Å; K617-K621 WeakPolarHBondContact O-CG 3.4Å; K617-K621 PolarHBondContact O-N 2.91Å; K617-K621 VanDerWaalsContact O-N 3.1Å; E618-K621 PolarHBondContact O-N 2.95Å; E618-K621 VanDerWaalsContact O-N 3.15Å; K621-R623 VanDerWaalsContact C-N 3.33Å; K621-R623 PolarHBondContact O-N 3.36Å; K621-I624 PolarHBondContact O-N 3.09Å; K621-M625 WeakPolarHBondContact O-CB 3.27Å; K621-M625 WeakPolarHBondContact O-CG 3.5Å; K621-M625 PolarHBondContact O-N 2.67Å |
| 622 | E | 64.3 | Low | 63.9 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 178.6 | -71.3 | -177.4 | 147.4 | 0 | 0 | 112.5 | E618 E620 Q626 | E618-E622 PolarHBondContact O-N 2.91Å; E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 3.34Å; E622-Q626 WeakPolarHBondContact O-CG 3.16Å; E622-Q626 PolarHBondContact O-N 3.27Å |
| 623 | R | 66.9 | Low | 63.1 | Low | 182 Ų | 182 | 122.1 Ų | 122.1 | 69% | 0.687 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.4 | -49.8 | 173.8 | -71.9 | 179.9 | 168.6 | -163.9 | -5.2 | 111.8 | E620 K621 M625 Q626 E627 | E620-R623 PolarHBondContact O-N 3.07Å; K621-R623 VanDerWaalsContact C-N 3.33Å; K621-R623 PolarHBondContact O-N 3.36Å; R623-M625 VanDerWaalsContact C-N 3.26Å; R623-M625 PolarHBondContact O-N 2.99Å; R623-Q626 PolarHBondContact O-N 2.81Å; R623-Q626 VanDerWaalsContact O-N 3.15Å; R623-E627 PolarHBondContact O-N 3.43Å; R623-E627 VanDerWaalsContact O-N 3.1Å |
| 624 | I | 61.8 | Low | 62.3 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -34.3 | -178.7 | -67 | 166.3 | 0 | 0 | 0 | 111.4 | E620 K621 H628 | E620-I624 WeakPolarHBondContact O-CG1 3.21Å; E620-I624 PolarHBondContact O-N 2.89Å; K621-I624 PolarHBondContact O-N 3.09Å; I624-H628 WeakPolarHBondContact O-CB 3.18Å; I624-H628 PolarHBondContact O-N 3.1Å |
| 625 | M | 54.8 | Low | 61.4 | Low | 136 Ų | 136 | 119.4 Ų | 119.4 | 67% | 0.67 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.3 | -48.2 | 173.8 | -74.5 | -93 | -77.3 | 0 | 0 | 111.9 | K621 R623 E627 H628 E629 | K621-M625 WeakPolarHBondContact O-CB 3.27Å; K621-M625 WeakPolarHBondContact O-CG 3.5Å; K621-M625 PolarHBondContact O-N 2.67Å; R623-M625 VanDerWaalsContact C-N 3.26Å; R623-M625 PolarHBondContact O-N 2.99Å; M625-E627 PolarHBondContact O-N 3.32Å; M625-H628 PolarHBondContact O-N 3.37Å; M625-E629 PolarHBondContact O-N 2.83Å; M625-E629 VanDerWaalsContact O-N 3.13Å |
| 626 | Q | 61.3 | Low | 60.4 | Low | 133 Ų | 133 | 120.6 Ų | 120.6 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.9 | -36.1 | -179.2 | -67.2 | 177.3 | 10 | 0 | 0 | 112.3 | E622 R623 | E622-Q626 WeakPolarHBondContact O-CG 3.16Å; E622-Q626 PolarHBondContact O-N 3.27Å; R623-Q626 PolarHBondContact O-N 2.81Å; R623-Q626 VanDerWaalsContact O-N 3.15Å |
| 627 | E | 56.2 | Low | 59.6 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -42.1 | 172.8 | -69.1 | 175.8 | 173.6 | 0 | 0 | 111.6 | R623 M625 E629 Q630 I631 | R623-E627 PolarHBondContact O-N 3.43Å; R623-E627 VanDerWaalsContact O-N 3.1Å; M625-E627 PolarHBondContact O-N 3.32Å; E627-E629 PolarHBondContact O-N 2.97Å; E627-Q630 PolarHBondContact O-N 2.92Å; E627-I631 PolarHBondContact O-N 3.09Å |
| 628 | H | 58.2 | Low | 58.6 | Low | 99 Ų | 99 | 127.4 Ų | 127.4 | 46% | 0.458 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66 | -32.3 | 179.7 | -111.4 | -58.5 | 0 | 0 | 0 | 113.9 | I624 M625 Q630 I631 K632 | I624-H628 WeakPolarHBondContact O-CB 3.18Å; I624-H628 PolarHBondContact O-N 3.1Å; M625-H628 PolarHBondContact O-N 3.37Å; H628-Q630 VanDerWaalsContact C-N 3.34Å; H628-I631 PolarHBondContact O-N 3.38Å; H628-K632 WeakPolarHBondContact O-CB 3.47Å; H628-K632 WeakPolarHBondContact O-CD 3.41Å; H628-K632 WeakPolarHBondContact O-CG 3.22Å; H628-K632 PolarHBondContact O-N 3.28Å |
| 629 | E | 57.3 | Low | 57.8 | Low | 126 Ų | 126 | 130 Ų | 130 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.2 | -36.9 | 174.9 | -71.4 | -159.9 | 133.6 | 0 | 0 | 112.7 | M625 E627 K633 | M625-E629 PolarHBondContact O-N 2.83Å; M625-E629 VanDerWaalsContact O-N 3.13Å; E627-E629 PolarHBondContact O-N 2.97Å; E629-K633 PolarHBondContact O-N 2.99Å |
| 630 | Q | 55.5 | Low | 57 | Low | 143 Ų | 143 | 129.3 Ų | 129.3 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.6 | -33.5 | 178.2 | -62 | -172.7 | 28.3 | 0 | 0 | 112 | E627 H628 | E627-Q630 PolarHBondContact O-N 2.92Å; H628-Q630 VanDerWaalsContact C-N 3.34Å |
| 631 | I | 55.3 | Low | 56.6 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.2 | -37.9 | 175.2 | -64.9 | 168.9 | 0 | 0 | 0 | 111.6 | E627 H628 K633 K634 T635 | E627-I631 PolarHBondContact O-N 3.09Å; H628-I631 PolarHBondContact O-N 3.38Å; I631-K633 VanDerWaalsContact C-N 3.32Å; I631-K633 PolarHBondContact O-N 3.37Å; I631-K634 PolarHBondContact O-N 3.18Å; I631-T635 HydrophobicContact CG2-CG2 4.34Å; I631-T635 PolarHBondContact O-N 3.09Å; I631-T635 VanDerWaalsContact O-N 3.14Å; I631-T635 PolarHBondContact O-OG1 3.24Å |
| 632 | K | 53.2 | Low | 56 | Low | 123 Ų | 123 | 130.8 Ų | 130.8 | 54% | 0.535 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.8 | -39.2 | 175.6 | -76.8 | 166.8 | -175.9 | 175.6 | 0 | 112.3 | H628 K634 T635 V636 | H628-K632 WeakPolarHBondContact O-CB 3.47Å; H628-K632 WeakPolarHBondContact O-CD 3.41Å; H628-K632 WeakPolarHBondContact O-CG 3.22Å; H628-K632 PolarHBondContact O-N 3.28Å; K632-K634 PolarHBondContact O-N 3.33Å; K632-T635 WeakPolarHBondContact CA-OG1 3.42Å; K632-T635 PolarHBondContact O-OG1 2.9Å; K632-V636 WeakPolarHBondContact O-CG2 3.35Å; K632-V636 PolarHBondContact O-N 3.47Å |
| 633 | K | 56.1 | Low | 55.5 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68 | -15.3 | 178.9 | -73.3 | 177.1 | -180 | 172.3 | 0 | 114.9 | E629 I631 | E629-K633 PolarHBondContact O-N 2.99Å; I631-K633 VanDerWaalsContact C-N 3.32Å; I631-K633 PolarHBondContact O-N 3.37Å |
| 634 | K | 57.3 | Low | 54.7 | Low | 155 Ų | 155 | 130.3 Ų | 130.3 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -94 | -49.5 | 172.7 | -66.4 | -178.7 | 178.8 | 178.6 | 0 | 111.7 | I631 K632 V636 R637 | I631-K634 PolarHBondContact O-N 3.18Å; K632-K634 PolarHBondContact O-N 3.33Å; K634-V636 PolarHBondContact O-N 2.97Å; K634-V636 VanDerWaalsContact O-N 3.14Å; K634-R637 PolarHBondContact O-N 3.21Å |
| 635 | T | 53 | Low | 54.5 | Low | 49 Ų | 49 | 134.8 Ų | 134.8 | 30% | 0.301 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.3 | -19.4 | -176.8 | 47.7 | 0 | 0 | 0 | 0 | 115 | I631 K632 R637 R639 | I631-T635 HydrophobicContact CG2-CG2 4.34Å; I631-T635 PolarHBondContact O-N 3.09Å; I631-T635 VanDerWaalsContact O-N 3.14Å; I631-T635 PolarHBondContact O-OG1 3.24Å; K632-T635 WeakPolarHBondContact CA-OG1 3.42Å; K632-T635 PolarHBondContact O-OG1 2.9Å; T635-R637 VanDerWaalsContact C-N 3.33Å; T635-R639 WeakPolarHBondContact O-CB 3.35Å; T635-R639 WeakPolarHBondContact O-CG 3.48Å; T635-R639 PolarHBondContact O-N 3.06Å |
| 636 | V | 51.8 | Low | 54.6 | Low | 98 Ų | 98 | 132.5 Ų | 132.5 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -32 | 171.6 | 165.8 | 0 | 0 | 0 | 0 | 112.8 | K632 K634 | K632-V636 WeakPolarHBondContact O-CG2 3.35Å; K632-V636 PolarHBondContact O-N 3.47Å; K634-V636 PolarHBondContact O-N 2.97Å; K634-V636 VanDerWaalsContact O-N 3.14Å |
| 637 | R | 54.3 | Low | 54.2 | Low | 205 Ų | 205 | 134.1 Ų | 134.1 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.6 | -39.4 | 176.6 | -68.6 | -179.2 | 177.2 | 164.1 | -0.6 | 111.8 | K634 T635 L640 | K634-R637 PolarHBondContact O-N 3.21Å; T635-R637 VanDerWaalsContact C-N 3.33Å; R637-L640 PolarHBondContact O-N 2.94Å |
| 638 | E | 53.1 | Low | 54 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 51% | 0.505 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.3 | -29.5 | -179.4 | -65.6 | 159.2 | 169.7 | 0 | 0 | 112.4 | E641 Q642 | E638-E641 PolarHBondContact O-N 3.38Å; E638-Q642 PolarHBondContact O-N 2.86Å |
| 639 | R | 51.2 | Low | 53.8 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.4 | -25.1 | 176.2 | -79.5 | 179.2 | 170.7 | -165.3 | -4.6 | 114.3 | T635 E641 Q642 I643 | T635-R639 WeakPolarHBondContact O-CB 3.35Å; T635-R639 WeakPolarHBondContact O-CG 3.48Å; T635-R639 PolarHBondContact O-N 3.06Å; R639-E641 PolarHBondContact O-N 3.33Å; R639-Q642 PolarHBondContact O-N 3.43Å; R639-I643 WeakPolarHBondContact O-CG1 3.37Å; R639-I643 PolarHBondContact O-N 3.36Å |
| 640 | L | 46.3 | Very low | 53.7 | Low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.2 | -30 | 173.6 | -103 | 161 | 0 | 0 | 0 | 112.5 | R637 | R637-L640 PolarHBondContact O-N 2.94Å |
| 641 | E | 54.5 | Low | 53.8 | Low | 152 Ų | 152 | 130.4 Ų | 130.4 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -88.8 | -25.1 | 179 | -60.3 | -168 | 142.7 | 0 | 0 | 113.5 | E638 R639 | E638-E641 PolarHBondContact O-N 3.38Å; R639-E641 PolarHBondContact O-N 3.33Å |
| 642 | Q | 53.5 | Low | 53.7 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.9 | -25.4 | -177 | -68.9 | -179.7 | -0.9 | 0 | 0 | 113.8 | E638 R639 K644 K645 | E638-Q642 PolarHBondContact O-N 2.86Å; R639-Q642 PolarHBondContact O-N 3.43Å; Q642-K644 PolarHBondContact O-N 2.57Å; Q642-K645 PolarHBondContact O-N 2.95Å; Q642-K645 VanDerWaalsContact O-N 3.12Å |
| 643 | I | 53.8 | Low | 53.6 | Low | 108 Ų | 108 | 129 Ų | 129 | 55% | 0.554 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -66.5 | -25.2 | 175.8 | -69.1 | 170.4 | 0 | 0 | 0 | 111.7 | R639 K645 | R639-I643 WeakPolarHBondContact O-CG1 3.37Å; R639-I643 PolarHBondContact O-N 3.36Å; I643-K645 PolarHBondContact O-N 3.32Å; I643-K645 VanDerWaalsContact O-N 3.14Å |
| 644 | K | 51.2 | Low | 53.6 | Low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.835 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -68.2 | -2.4 | 171.6 | -83.1 | -173.2 | 173.2 | 179.8 | 0 | 115 | Q642 | Q642-K644 PolarHBondContact O-N 2.57Š|
| 645 | K | 56.6 | Low | 53.1 | Low | 186 Ų | 186 | 128.9 Ų | 128.9 | 81% | 0.809 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -134.5 | 20.1 | -171.2 | -65.6 | -178.1 | 179.6 | 171.9 | 0 | 115.2 | Q642 I643 | Q642-K645 PolarHBondContact O-N 2.95Å; Q642-K645 VanDerWaalsContact O-N 3.12Å; I643-K645 PolarHBondContact O-N 3.32Å; I643-K645 VanDerWaalsContact O-N 3.14Å |
| 646 | T | 56.8 | Low | 53 | Low | 88 Ų | 88 | 133 Ų | 133 | 54% | 0.54 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -127.4 | 140.6 | 176.9 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | L648 G649 | T646-L648 PolarHBondContact O-N 3.32Å; T646-G649 PolarHBondContact O-N 2.95Å |
| 647 | E | 53 | Low | 52.6 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -12.4 | -164.6 | -58.5 | -172.8 | 140.5 | 0 | 0 | 115.4 | G649 A650 | E647-G649 VanDerWaalsContact C-N 3.32Å; E647-A650 PolarHBondContact O-N 3.13Å |
| 648 | L | 52.3 | Low | 52.6 | Low | 136 Ų | 136 | 131.6 Ų | 131.6 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -27.4 | 172.8 | -75.2 | 164.1 | 0 | 0 | 0 | 112.4 | T646 | T646-L648 PolarHBondContact O-N 3.32Š|
| 649 | G | 54.5 | Low | 52.7 | Low | 32 Ų | 32 | 135.9 Ų | 135.9 | 33% | 0.33 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -67.3 | -37.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T646 E647 K651 A652 | T646-G649 PolarHBondContact O-N 2.95Å; E647-G649 VanDerWaalsContact C-N 3.32Å; G649-K651 PolarHBondContact O-N 3.17Å; G649-K651 VanDerWaalsContact O-N 3.13Å; G649-A652 PolarHBondContact O-N 3.12Å |
| 650 | A | 55.4 | Low | 52.9 | Low | 70 Ų | 70 | 134.3 Ų | 134.3 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -75.4 | 2.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E647 | E647-A650 PolarHBondContact O-N 3.13Š|
| 651 | K | 55.8 | Low | 53.3 | Low | 175 Ų | 175 | 133.3 Ų | 133.3 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -120.1 | -4.1 | 177.7 | -70.5 | 178.7 | 179.6 | 170 | 0 | 114 | G649 | G649-K651 PolarHBondContact O-N 3.17Å; G649-K651 VanDerWaalsContact O-N 3.13Å |
| 652 | A | 53.2 | Low | 53.3 | Low | 43 Ų | 43 | 135.5 Ų | 135.5 | 36% | 0.355 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.6 | -12.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | G649 K672 | G649-A652 PolarHBondContact O-N 3.12Å; A652-K672 PolarHBondContact O-NZ 3.38Å; A652-K672 VanDerWaalsContact O-NZ 3.16Å |
| 653 | F | 52.2 | Low | 53.4 | Low | 147 Ų | 147 | 138.3 Ų | 138.3 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | trans | -138.5 | 96.3 | -178.8 | -59.4 | -85 | 0 | 0 | 0 | 108.6 | ||||
| 654 | K | 56.1 | Low | 53.3 | Low | 162 Ų | 162 | 141 Ų | 141 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -129.8 | -15.2 | -179.6 | -96.8 | -162.2 | 167.8 | -160.6 | 0 | 115.6 | ||
| 655 | D | 47.5 | Very low | 53.5 | Low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -136.1 | 27.4 | -162.6 | -47.2 | -79.5 | 0 | 0 | 0 | 112.7 | ||
| 656 | I | 49.1 | Very low | 53.6 | Low | 137 Ų | 137 | 133 Ų | 133 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -140.9 | 135.8 | 171.4 | -55.5 | -178.6 | 0 | 0 | 0 | 108.4 | ||
| 657 | D | 43.9 | Very low | 53.5 | Low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | trans | -87.9 | 175.7 | -171.7 | -75.1 | -58.4 | 0 | 0 | 0 | 114.7 | ||||
| 658 | I | 55.4 | Low | 53.7 | Low | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -90.1 | -11 | -154.8 | -71.5 | 172.7 | 0 | 0 | 0 | 115.2 | L661 | I658-L661 VanDerWaalsContact O-CB 3.27Å; I658-L661 WeakPolarHBondContact O-CB 3.45Å |
| 659 | E | 53.8 | Low | 53.8 | Low | 198 Ų | 198 | 131.9 Ų | 131.9 | 93% | 0.925 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -100.2 | -9.9 | -178.7 | -66.9 | -173.8 | 149 | 0 | 0 | 114.5 | L661 | E659-L661 PolarHBondContact O-N 3.45Š|
| 660 | D | 55.9 | Low | 53.9 | Low | 137 Ų | 137 | 135.3 Ų | 135.3 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -86.6 | 14.1 | 164.4 | -72.1 | -38.3 | 0 | 0 | 0 | 112.1 | ||
| 661 | L | 54.7 | Low | 54 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 60% | 0.597 | 68% | 0.683 | S | S | * | * | trans | -96.9 | 7.8 | -161.6 | -140.4 | 80.2 | 0 | 0 | 0 | 115.6 | I658 E659 | I658-L661 VanDerWaalsContact O-CB 3.27Å; I658-L661 WeakPolarHBondContact O-CB 3.45Å; E659-L661 PolarHBondContact O-N 3.45Å | ||
| 662 | E | 55.5 | Low | 54.2 | Low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -115.3 | -4.4 | 179.4 | -66.2 | -160.3 | 132.6 | 0 | 0 | 115.4 | ||
| 663 | E | 55.4 | Low | 54.2 | Low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -116.9 | 22.9 | -173.8 | -65.2 | -155.9 | 143.9 | 0 | 0 | 116.6 | ||
| 664 | L | 52 | Low | 54.6 | Low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -131.8 | 146.5 | 175.1 | -79.5 | 176.5 | 0 | 0 | 0 | 115.7 | ||
| 665 | D | 55.4 | Low | 55 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -73.9 | 148.7 | -154.4 | -84.8 | -56.6 | 0 | 0 | 0 | 117.5 | D667 F668 | D665-D667 PolarHBondContact O-N 3.46Å; D665-D667 VanDerWaalsContact O-N 3.13Å; D665-F668 PolarHBondContact O-N 3.03Å; D665-F668 VanDerWaalsContact O-N 3.15Å | ||
| 666 | P | 56.8 | Low | 55.6 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -54 | -29.8 | 171.7 | -26.3 | 34.9 | 0 | 0 | 0 | 114.9 | F668 I669 M670 | P666-F668 VanDerWaalsContact C-N 3.29Å; P666-F668 PolarHBondContact O-N 2.84Å; P666-I669 WeakPolarHBondContact O-CB 3.47Å; P666-I669 PolarHBondContact O-N 3.22Å; P666-M670 PolarHBondContact O-N 3.09Å |
| 667 | D | 56.2 | Low | 56.2 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.5 | -24.2 | -177.7 | -77.7 | -14.5 | 0 | 0 | 0 | 112.9 | D665 I669 M670 A671 | D665-D667 PolarHBondContact O-N 3.46Å; D665-D667 VanDerWaalsContact O-N 3.13Å; D667-I669 VanDerWaalsContact C-N 3.31Å; D667-I669 PolarHBondContact O-N 3.02Å; D667-M670 PolarHBondContact O-N 2.99Å; D667-M670 WeakPolarHBondContact OD1-CE 3.49Å; D667-A671 WeakPolarHBondContact O-CB 3.49Å; D667-A671 PolarHBondContact O-N 3Å |
| 668 | F | 56.3 | Low | 57.2 | Low | 148 Ų | 148 | 120.8 Ų | 120.8 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.7 | -30 | 173.8 | -161.4 | -109.1 | 0 | 0 | 0 | 112.1 | D665 P666 A671 K672 | D665-F668 PolarHBondContact O-N 3.03Å; D665-F668 VanDerWaalsContact O-N 3.15Å; P666-F668 VanDerWaalsContact C-N 3.29Å; P666-F668 PolarHBondContact O-N 2.84Å; F668-A671 PolarHBondContact O-N 3.09Å; F668-K672 PolarHBondContact O-N 3.21Å |
| 669 | I | 55.6 | Low | 58 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 57% | 0.569 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.5 | -40.9 | 173.2 | -59.7 | 177.6 | 0 | 0 | 0 | 110.1 | P666 D667 Q673 | P666-I669 WeakPolarHBondContact O-CB 3.47Å; P666-I669 PolarHBondContact O-N 3.22Å; D667-I669 VanDerWaalsContact C-N 3.31Å; D667-I669 PolarHBondContact O-N 3.02Å; I669-Q673 PolarHBondContact O-N 2.75Å |
| 670 | M | 56 | Low | 58.7 | Low | 105 Ų | 105 | 116 Ų | 116 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.9 | -38.5 | 171.2 | -73.1 | -157.3 | -68.8 | 0 | 0 | 112.3 | P666 D667 Q673 V674 | P666-M670 PolarHBondContact O-N 3.09Å; D667-M670 PolarHBondContact O-N 2.99Å; D667-M670 WeakPolarHBondContact OD1-CE 3.49Å; M670-Q673 CarbonylContact O-C 3.57Å; M670-Q673 PolarHBondContact O-N 3.43Å; M670-Q673 VanDerWaalsContact O-N 3.15Å; M670-V674 WeakPolarHBondContact O-CG2 3.43Å; M670-V674 PolarHBondContact O-N 3Å |
| 671 | A | 57.2 | Low | 59.3 | Low | 55 Ų | 55 | 116.2 Ų | 116.2 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.5 | -48.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D667 F668 Q673 V674 E675 | D667-A671 WeakPolarHBondContact O-CB 3.49Å; D667-A671 PolarHBondContact O-N 3Å; F668-A671 PolarHBondContact O-N 3.09Å; A671-Q673 VanDerWaalsContact C-N 3.29Å; A671-Q673 PolarHBondContact O-N 3.45Å; A671-V674 PolarHBondContact O-N 2.9Å; A671-E675 PolarHBondContact O-N 3.27Å |
| 672 | K | 59.8 | Low | 60.1 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 37% | 0.37 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.6 | -36.9 | 173.5 | -94.2 | -176.7 | 173.7 | 176.2 | 0 | 112.4 | A652 F668 E675 Q676 | A652-K672 PolarHBondContact O-NZ 3.38Å; A652-K672 VanDerWaalsContact O-NZ 3.16Å; F668-K672 PolarHBondContact O-N 3.21Å; K672-E675 PolarHBondContact O-N 3.22Å; K672-Q676 PolarHBondContact O-N 3.42Å |
| 673 | Q | 53.3 | Low | 61 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -35.4 | 178 | -165.9 | 166.9 | 58.4 | 0 | 0 | 112.3 | I669 M670 A671 Q676 L677 | I669-Q673 PolarHBondContact O-N 2.75Å; M670-Q673 CarbonylContact O-C 3.57Å; M670-Q673 PolarHBondContact O-N 3.43Å; M670-Q673 VanDerWaalsContact O-N 3.15Å; A671-Q673 VanDerWaalsContact C-N 3.29Å; A671-Q673 PolarHBondContact O-N 3.45Å; Q673-Q676 PolarHBondContact O-N 2.9Å; Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 2.89Å |
| 674 | V | 60.8 | Low | 61.6 | Low | 76 Ų | 76 | 108.1 Ų | 108.1 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 171 | 169 | 0 | 0 | 0 | 0 | 111.2 | M670 A671 Q676 L677 E678 | M670-V674 WeakPolarHBondContact O-CG2 3.43Å; M670-V674 PolarHBondContact O-N 3Å; A671-V674 PolarHBondContact O-N 2.9Å; V674-Q676 VanDerWaalsContact C-N 3.25Å; V674-Q676 PolarHBondContact O-N 2.97Å; V674-L677 CarbonylContact O-C 3.5Å; V674-L677 PolarHBondContact O-N 2.76Å; V674-L677 VanDerWaalsContact O-N 3.08Å; V674-E678 HydrophobicContact CG1-CG 4.49Å; V674-E678 PolarHBondContact O-N 3.45Å |
| 675 | E | 63.9 | Low | 62.4 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -33.4 | 177.7 | -154 | -149.1 | 141.8 | 0 | 0 | 112.4 | A671 K672 K679 | A671-E675 PolarHBondContact O-N 3.27Å; K672-E675 PolarHBondContact O-N 3.22Å; E675-K679 WeakPolarHBondContact O-CG 3.27Å; E675-K679 PolarHBondContact O-N 3.45Å; E675-K679 WeakPolarHBondContact OE1-CE 3.26Å; E675-K679 IonicContact OE1-NZ 3.9Å; E675-K679 PolarHBondContact OE1-NZ 2.92Å |
| 676 | Q | 61 | Low | 63.2 | Low | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.7 | -40.4 | 171.1 | -72 | -173.4 | -62.4 | 0 | 0 | 112.5 | K672 Q673 V674 E678 K679 E680 | K672-Q676 PolarHBondContact O-N 3.42Å; Q673-Q676 PolarHBondContact O-N 2.9Å; V674-Q676 VanDerWaalsContact C-N 3.25Å; V674-Q676 PolarHBondContact O-N 2.97Å; Q676-E678 PolarHBondContact O-N 3.14Å; Q676-K679 WeakPolarHBondContact O-CB 3.28Å; Q676-K679 PolarHBondContact O-N 2.82Å; Q676-K679 VanDerWaalsContact O-N 3.07Å; Q676-E680 PolarHBondContact O-N 2.69Å |
| 677 | L | 61.2 | Low | 64.1 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -28.1 | 173 | -73.5 | 167.4 | 0 | 0 | 0 | 112.8 | Q673 V674 K681 | Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 2.89Å; V674-L677 CarbonylContact O-C 3.5Å; V674-L677 PolarHBondContact O-N 2.76Å; V674-L677 VanDerWaalsContact O-N 3.08Å; L677-K681 WeakPolarHBondContact O-CB 3.27Å; L677-K681 WeakPolarHBondContact O-CG 3.5Å; L677-K681 PolarHBondContact O-N 2.95Å |
| 678 | E | 64.9 | Low | 64.7 | Low | 95 Ų | 95 | 108 Ų | 108 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.6 | -33 | 171.1 | -72.1 | -158.3 | 163.4 | 0 | 0 | 113.2 | V674 Q676 K681 K682 | V674-E678 HydrophobicContact CG1-CG 4.49Å; V674-E678 PolarHBondContact O-N 3.45Å; Q676-E678 PolarHBondContact O-N 3.14Å; E678-K681 PolarHBondContact O-N 3.01Å; E678-K682 WeakPolarHBondContact O-CG 3.24Å; E678-K682 PolarHBondContact O-N 3.35Å |
| 679 | K | 73.1 | Confident | 65.6 | Low | 110 Ų | 110 | 106.7 Ų | 106.7 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 171.1 | -73.8 | 161.6 | 179.9 | 160.9 | 0 | 110.8 | E675 Q676 K681 K682 E683 | E675-K679 WeakPolarHBondContact O-CG 3.27Å; E675-K679 PolarHBondContact O-N 3.45Å; E675-K679 WeakPolarHBondContact OE1-CE 3.26Å; E675-K679 IonicContact OE1-NZ 3.9Å; E675-K679 PolarHBondContact OE1-NZ 2.92Å; Q676-K679 WeakPolarHBondContact O-CB 3.28Å; Q676-K679 PolarHBondContact O-N 2.82Å; Q676-K679 VanDerWaalsContact O-N 3.07Å; K679-K681 PolarHBondContact O-N 2.59Å; K679-K682 PolarHBondContact O-N 3.5Å; K679-K682 VanDerWaalsContact O-N 3.14Å; K679-E683 PolarHBondContact O-N 2.86Å |
| 680 | E | 67.1 | Low | 66.6 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 171.7 | -70.1 | -171.4 | 162.9 | 0 | 0 | 112.2 | Q676 K682 E683 L684 | Q676-E680 PolarHBondContact O-N 2.69Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.2Å; E680-E683 PolarHBondContact O-N 3.41Å; E680-L684 WeakPolarHBondContact O-CB 3.49Å; E680-L684 PolarHBondContact O-N 3.24Å |
| 681 | K | 69.1 | Low | 67.3 | Low | 143 Ų | 143 | 105.8 Ų | 105.8 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -41.2 | 171.5 | -85.6 | 178.4 | 176.5 | 175.6 | 0 | 112.4 | L677 E678 K679 L684 Q685 | L677-K681 WeakPolarHBondContact O-CB 3.27Å; L677-K681 WeakPolarHBondContact O-CG 3.5Å; L677-K681 PolarHBondContact O-N 2.95Å; E678-K681 PolarHBondContact O-N 3.01Å; K679-K681 PolarHBondContact O-N 2.59Å; K681-L684 PolarHBondContact O-N 3.39Å; K681-Q685 WeakPolarHBondContact O-CB 3.45Å; K681-Q685 WeakPolarHBondContact O-CG 3.3Å; K681-Q685 PolarHBondContact O-N 3.47Å |
| 682 | K | 72.2 | Confident | 67.9 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 177.2 | -77.3 | 165 | -179.7 | 161.8 | 0 | 111.3 | E678 K679 E680 L684 Q685 E686 | E678-K682 WeakPolarHBondContact O-CG 3.24Å; E678-K682 PolarHBondContact O-N 3.35Å; K679-K682 PolarHBondContact O-N 3.5Å; K679-K682 VanDerWaalsContact O-N 3.14Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.2Å; K682-L684 VanDerWaalsContact C-N 3.32Å; K682-L684 PolarHBondContact O-N 3.03Å; K682-Q685 CarbonylContact O-C 3.57Å; K682-Q685 PolarHBondContact O-N 3.29Å; K682-E686 PolarHBondContact O-N 3.28Å |
| 683 | E | 73.4 | Confident | 68.8 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 171.8 | -77.1 | -167.2 | -150.4 | 0 | 0 | 112.8 | K679 E680 E686 R687 | K679-E683 PolarHBondContact O-N 2.86Å; E680-E683 PolarHBondContact O-N 3.41Å; E683-E686 PolarHBondContact O-N 3Å; E683-R687 VanDerWaalsContact O-CG 3.29Å; E683-R687 WeakPolarHBondContact O-CG 3.27Å; E683-R687 PolarHBondContact O-N 3.09Å; E683-R687 IonicContact OE2-CZ 3.87Å; E683-R687 IonicContact OE2-NH2 3.07Å; E683-R687 PolarHBondContact OE2-NH2 3.48Å |
| 684 | L | 69.3 | Low | 69.9 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 178.4 | -148.7 | 162.1 | 0 | 0 | 0 | 110.8 | E680 K681 K682 R687 L688 | E680-L684 WeakPolarHBondContact O-CB 3.49Å; E680-L684 PolarHBondContact O-N 3.24Å; K681-L684 PolarHBondContact O-N 3.39Å; K682-L684 VanDerWaalsContact C-N 3.32Å; K682-L684 PolarHBondContact O-N 3.03Å; L684-R687 PolarHBondContact O-N 3.12Å; L684-L688 HydrophobicContact CD2-CD1 3.82Å; L684-L688 HydrophobicContact CD2-CG 4.15Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.41Å; L684-L688 PolarHBondContact O-N 3.49Å |
| 685 | Q | 67.2 | Low | 70.6 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 168.6 | -79.3 | -177.1 | -30.3 | 0 | 0 | 112.8 | K681 K682 L688 K689 | K681-Q685 WeakPolarHBondContact O-CB 3.45Å; K681-Q685 WeakPolarHBondContact O-CG 3.3Å; K681-Q685 PolarHBondContact O-N 3.47Å; K682-Q685 CarbonylContact O-C 3.57Å; K682-Q685 PolarHBondContact O-N 3.29Å; Q685-L688 PolarHBondContact O-N 3.06Å; Q685-K689 WeakPolarHBondContact O-CB 3.5Å; Q685-K689 WeakPolarHBondContact O-CG 3.1Å; Q685-K689 PolarHBondContact O-N 2.96Å |
| 686 | E | 72.9 | Confident | 71.2 | Confident | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.5 | -36.9 | 173.4 | -73.2 | -169.3 | 162.7 | 0 | 0 | 112.4 | K682 E683 L688 K689 N690 | K682-E686 PolarHBondContact O-N 3.28Å; E683-E686 PolarHBondContact O-N 3Å; E686-L688 VanDerWaalsContact C-N 3.34Å; E686-K689 PolarHBondContact O-N 3.01Å; E686-N690 WeakPolarHBondContact O-CB 3.4Å; E686-N690 VanDerWaalsContact O-CG 3.26Å; E686-N690 PolarHBondContact O-N 3.06Å; E686-N690 PolarHBondContact O-ND2 2.93Å |
| 687 | R | 74.8 | Confident | 72.2 | Confident | 158 Ų | 158 | 113 Ų | 113 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 170.1 | -69.4 | 172.4 | -159.2 | -169.9 | 10.5 | 111 | E683 L684 N690 Q691 | E683-R687 VanDerWaalsContact O-CG 3.29Å; E683-R687 WeakPolarHBondContact O-CG 3.27Å; E683-R687 PolarHBondContact O-N 3.09Å; E683-R687 IonicContact OE2-CZ 3.87Å; E683-R687 IonicContact OE2-NH2 3.07Å; E683-R687 PolarHBondContact OE2-NH2 3.48Å; L684-R687 PolarHBondContact O-N 3.12Å; R687-N690 PolarHBondContact O-N 2.83Å; R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.1Å |
| 688 | L | 70.1 | Confident | 72.9 | Confident | 83 Ų | 83 | 115.3 Ų | 115.3 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 173.1 | -77.3 | 165.8 | 0 | 0 | 0 | 111.8 | L684 Q685 E686 N690 Q691 E692 | L684-L688 HydrophobicContact CD2-CD1 3.82Å; L684-L688 HydrophobicContact CD2-CG 4.15Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.41Å; L684-L688 PolarHBondContact O-N 3.49Å; Q685-L688 PolarHBondContact O-N 3.06Å; E686-L688 VanDerWaalsContact C-N 3.34Å; L688-N690 PolarHBondContact O-N 3.02Å; L688-Q691 CarbonylContact O-C 2.86Å; L688-Q691 WeakPolarHBondContact O-CA 3.26Å; L688-Q691 WeakPolarHBondContact O-CB 3.37Å; L688-Q691 PolarHBondContact O-N 3.45Å; L688-E692 PolarHBondContact O-N 2.8Å |
| 689 | K | 75.2 | Confident | 73.5 | Confident | 121 Ų | 121 | 114 Ų | 114 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 174.6 | -76 | 174.5 | 177.5 | -179.8 | 0 | 112.7 | Q685 E686 K693 | Q685-K689 WeakPolarHBondContact O-CB 3.5Å; Q685-K689 WeakPolarHBondContact O-CG 3.1Å; Q685-K689 PolarHBondContact O-N 2.96Å; E686-K689 PolarHBondContact O-N 3.01Å; K689-K693 VanDerWaalsContact O-CG 3.25Å; K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 2.98Å |
| 690 | N | 76.3 | Confident | 73.9 | Confident | 82 Ų | 82 | 115 Ų | 115 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.6 | -19.4 | 173.5 | -69.9 | -25.5 | 0 | 0 | 0 | 113.1 | E686 R687 L688 K693 K694 | E686-N690 WeakPolarHBondContact O-CB 3.4Å; E686-N690 VanDerWaalsContact O-CG 3.26Å; E686-N690 PolarHBondContact O-N 3.06Å; E686-N690 PolarHBondContact O-ND2 2.93Å; R687-N690 PolarHBondContact O-N 2.83Å; L688-N690 PolarHBondContact O-N 3.02Å; N690-K693 PolarHBondContact OD1-NZ 2.89Å; N690-K694 WeakPolarHBondContact O-CG 3.29Å; N690-K694 PolarHBondContact O-N 3.28Å |
| 691 | Q | 70.8 | Confident | 74.5 | Confident | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79 | -40.6 | 165.3 | -74.2 | 179.1 | -2.9 | 0 | 0 | 111.9 | R687 L688 K693 K694 I695 | R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.1Å; L688-Q691 CarbonylContact O-C 2.86Å; L688-Q691 WeakPolarHBondContact O-CA 3.26Å; L688-Q691 WeakPolarHBondContact O-CB 3.37Å; L688-Q691 PolarHBondContact O-N 3.45Å; Q691-K693 PolarHBondContact O-N 3.49Å; Q691-K694 CarbonylContact O-C 3.25Å; Q691-K694 WeakPolarHBondContact O-CA 3.49Å; Q691-K694 WeakPolarHBondContact O-CB 3.37Å; Q691-K694 PolarHBondContact O-N 3.31Å; Q691-I695 WeakPolarHBondContact O-CG1 3.48Å; Q691-I695 PolarHBondContact O-N 3.05Å |
| 692 | E | 69.7 | Low | 74.9 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.5 | -50.9 | 169.9 | -73.7 | 179.1 | 133.6 | 0 | 0 | 109.6 | L688 K694 I695 D696 R1103 | L688-E692 PolarHBondContact O-N 2.8Å; E692-K694 VanDerWaalsContact C-N 3.27Å; E692-K694 PolarHBondContact O-N 3.34Å; E692-I695 CarbonylContact O-C 2.98Å; E692-I695 WeakPolarHBondContact O-CA 3.47Å; E692-I695 WeakPolarHBondContact O-CB 3.22Å; E692-I695 PolarHBondContact O-N 3.22Å; E692-D696 WeakPolarHBondContact O-CB 3.44Å; E692-D696 PolarHBondContact O-N 3.35Å; E692-R1103 IonicContact OE1-CZ 3.72Å; E692-R1103 IonicContact OE1-NH2 2.79Å; E692-R1103 PolarHBondContact OE1-NH2 3.04Å |
| 693 | K | 78.1 | Confident | 75.1 | Confident | 108 Ų | 108 | 109 Ų | 109 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -54.6 | -37.8 | 172.2 | -71.4 | 168.4 | -162.2 | 165.5 | 0 | 113.4 | K689 N690 Q691 D696 Y697 | K689-K693 VanDerWaalsContact O-CG 3.25Å; K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 2.98Å; N690-K693 PolarHBondContact OD1-NZ 2.89Å; Q691-K693 PolarHBondContact O-N 3.49Å; K693-D696 WeakPolarHBondContact O-CB 3.46Å; K693-D696 PolarHBondContact O-N 2.92Å; K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.46Å; K693-Y697 VanDerWaalsContact O-CG 3.3Å; K693-Y697 PolarHBondContact O-N 2.95Å |
| 694 | K | 76.7 | Confident | 75.4 | Confident | 156 Ų | 156 | 109.7 Ų | 109.7 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.1 | -37.6 | 175.3 | -83.1 | -176.8 | 174.9 | -175.5 | 0 | 112.5 | N690 Q691 E692 Y697 F698 | N690-K694 WeakPolarHBondContact O-CG 3.29Å; N690-K694 PolarHBondContact O-N 3.28Å; Q691-K694 CarbonylContact O-C 3.25Å; Q691-K694 WeakPolarHBondContact O-CA 3.49Å; Q691-K694 WeakPolarHBondContact O-CB 3.37Å; Q691-K694 PolarHBondContact O-N 3.31Å; E692-K694 VanDerWaalsContact C-N 3.27Å; E692-K694 PolarHBondContact O-N 3.34Å; K694-Y697 PolarHBondContact O-N 2.75Å; K694-F698 WeakPolarHBondContact O-CB 3.48Å; K694-F698 PolarHBondContact O-N 2.99Å |
| 695 | I | 75.8 | Confident | 75.9 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 172.6 | -66.8 | 163.2 | 0 | 0 | 0 | 109.4 | Q691 E692 Y697 F698 E699 | Q691-I695 WeakPolarHBondContact O-CG1 3.48Å; Q691-I695 PolarHBondContact O-N 3.05Å; E692-I695 CarbonylContact O-C 2.98Å; E692-I695 WeakPolarHBondContact O-CA 3.47Å; E692-I695 WeakPolarHBondContact O-CB 3.22Å; E692-I695 PolarHBondContact O-N 3.22Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 3.48Å; I695-F698 CarbonylContact O-C 3.59Å; I695-F698 WeakPolarHBondContact O-CA 3.49Å; I695-F698 WeakPolarHBondContact O-CB 3.37Å; I695-F698 PolarHBondContact O-N 2.82Å; I695-E699 HydrophobicContact CG2-CG 4.49Å; I695-E699 PolarHBondContact O-N 3.5Å |
| 696 | D | 76.9 | Confident | 76.3 | Confident | 83 Ų | 83 | 111 Ų | 111 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 175.1 | -124.5 | 61.3 | 0 | 0 | 0 | 113.2 | E692 K693 R700 | E692-D696 WeakPolarHBondContact O-CB 3.44Å; E692-D696 PolarHBondContact O-N 3.35Å; K693-D696 WeakPolarHBondContact O-CB 3.46Å; K693-D696 PolarHBondContact O-N 2.92Å; D696-R700 WeakPolarHBondContact O-CB 3.4Å; D696-R700 PolarHBondContact O-N 3.4Å; D696-R700 PolarHBondContact O-NE 3.22Å; D696-R700 IonicContact OD2-CZ 3.23Å; D696-R700 IonicContact OD2-NH2 3Å; D696-R700 PolarHBondContact OD2-NH2 3.42Å |
| 697 | Y | 81.3 | Confident | 76.5 | Confident | 151 Ų | 151 | 108.6 Ų | 108.6 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.5 | -34.8 | 172.2 | -68 | -47.8 | 0 | 0 | 0 | 112.4 | K693 K694 I695 R700 A701 | K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.46Å; K693-Y697 VanDerWaalsContact O-CG 3.3Å; K693-Y697 PolarHBondContact O-N 2.95Å; K694-Y697 PolarHBondContact O-N 2.75Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 3.48Å; Y697-R700 PolarHBondContact O-N 3.05Å; Y697-A701 WeakPolarHBondContact O-CB 3.33Å; Y697-A701 PolarHBondContact O-N 3.34Å |
| 698 | F | 77.3 | Confident | 76.9 | Confident | 138 Ų | 138 | 104.2 Ų | 104.2 | 61% | 0.605 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.1 | -35 | 177.3 | -156.8 | -107 | 0 | 0 | 0 | 112.1 | K694 I695 A701 K702 | K694-F698 WeakPolarHBondContact O-CB 3.48Å; K694-F698 PolarHBondContact O-N 2.99Å; I695-F698 CarbonylContact O-C 3.59Å; I695-F698 WeakPolarHBondContact O-CA 3.49Å; I695-F698 WeakPolarHBondContact O-CB 3.37Å; I695-F698 PolarHBondContact O-N 2.82Å; F698-A701 PolarHBondContact O-N 2.72Å; F698-K702 WeakPolarHBondContact O-CG 3.49Å; F698-K702 PolarHBondContact O-N 3.29Å |
| 699 | E | 76.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 105.8 Ų | 105.8 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72 | -38.3 | 170.1 | -70.5 | -153.3 | -180 | 0 | 0 | 112.1 | I695 A701 K702 R703 | I695-E699 HydrophobicContact CG2-CG 4.49Å; I695-E699 PolarHBondContact O-N 3.5Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.82Å; E699-K702 PolarHBondContact O-N 3.35Å; E699-R703 WeakPolarHBondContact O-CB 3.43Å; E699-R703 VanDerWaalsContact O-CG 3.22Å; E699-R703 WeakPolarHBondContact O-CG 3.39Å; E699-R703 PolarHBondContact O-N 2.77Å; E699-R703 IonicContact OE2-CZ 2.57Å; E699-R703 IonicContact OE2-NE 2.85Å; E699-R703 IonicContact OE2-NH2 2.61Å; E699-R703 PolarHBondContact OE2-NH2 3.22Å |
| 700 | R | 81.6 | Confident | 77.4 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 168.6 | -98.3 | 173.6 | -91.4 | -155.4 | -9.1 | 112 | D696 Y697 R703 L704 | D696-R700 WeakPolarHBondContact O-CB 3.4Å; D696-R700 PolarHBondContact O-N 3.4Å; D696-R700 PolarHBondContact O-NE 3.22Å; D696-R700 IonicContact OD2-CZ 3.23Å; D696-R700 IonicContact OD2-NH2 3Å; D696-R700 PolarHBondContact OD2-NH2 3.42Å; Y697-R700 PolarHBondContact O-N 3.05Å; R700-R703 PolarHBondContact O-N 3.15Å; R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 WeakPolarHBondContact O-CG 3.46Å; R700-L704 PolarHBondContact O-N 2.72Å |
| 701 | A | 79.7 | Confident | 77.6 | Confident | 48 Ų | 48 | 106.5 Ų | 106.5 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y697 F698 E699 L704 E705 | Y697-A701 WeakPolarHBondContact O-CB 3.33Å; Y697-A701 PolarHBondContact O-N 3.34Å; F698-A701 PolarHBondContact O-N 2.72Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.82Å; A701-L704 PolarHBondContact O-N 2.96Å; A701-E705 PolarHBondContact O-N 2.86Å |
| 702 | K | 78.2 | Confident | 78.3 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 173.3 | -74.1 | 174.7 | -179.3 | 177.5 | 0 | 112.4 | F698 E699 L704 E705 E706 | F698-K702 WeakPolarHBondContact O-CG 3.49Å; F698-K702 PolarHBondContact O-N 3.29Å; E699-K702 PolarHBondContact O-N 3.35Å; K702-L704 PolarHBondContact O-N 3.41Å; K702-E705 PolarHBondContact O-N 2.82Å; K702-E705 VanDerWaalsContact O-N 3.12Å; K702-E706 WeakPolarHBondContact O-CB 3.41Å; K702-E706 VanDerWaalsContact O-CG 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.41Å; K702-E706 PolarHBondContact O-N 3.42Å |
| 703 | R | 75.9 | Confident | 78.7 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 178.5 | -66.9 | 172 | -155.2 | -141.8 | 1.4 | 111.2 | E699 R700 E706 I707 E1100 | E699-R703 WeakPolarHBondContact O-CB 3.43Å; E699-R703 VanDerWaalsContact O-CG 3.22Å; E699-R703 WeakPolarHBondContact O-CG 3.39Å; E699-R703 PolarHBondContact O-N 2.77Å; E699-R703 IonicContact OE2-CZ 2.57Å; E699-R703 IonicContact OE2-NE 2.85Å; E699-R703 IonicContact OE2-NH2 2.61Å; E699-R703 PolarHBondContact OE2-NH2 3.22Å; R700-R703 PolarHBondContact O-N 3.15Å; R703-E706 PolarHBondContact O-N 3.42Å; R703-I707 WeakPolarHBondContact O-CB 3.25Å; R703-I707 VanDerWaalsContact O-CD1 3.3Å; R703-I707 WeakPolarHBondContact O-CD1 3.39Å; R703-I707 WeakPolarHBondContact O-CG1 3.25Å; R703-I707 PolarHBondContact O-N 3.15Å; R703-E1100 IonicContact CZ-OE2 2.95Å; R703-E1100 IonicContact NH1-OE2 4Å; R703-E1100 IonicContact NH2-OE2 3.91Å; R703-E1100 PolarHBondContact NH2-OE2 3.05Å |
| 704 | L | 80.4 | Confident | 78.4 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.6 | -32.1 | 175.1 | -74.9 | 167.6 | 0 | 0 | 0 | 113.8 | R700 A701 K702 P708 | R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 WeakPolarHBondContact O-CG 3.46Å; R700-L704 PolarHBondContact O-N 2.72Å; A701-L704 PolarHBondContact O-N 2.96Å; K702-L704 PolarHBondContact O-N 3.41Å; L704-P708 WeakPolarHBondContact O-CD 3.47Å |
| 705 | E | 78.3 | Confident | 78.6 | Confident | 145 Ų | 145 | 106 Ų | 106 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.5 | -33.3 | 170.9 | -69.1 | -65.5 | 159.3 | 0 | 0 | 112.4 | A701 K702 P708 | A701-E705 PolarHBondContact O-N 2.86Å; K702-E705 PolarHBondContact O-N 2.82Å; K702-E705 VanDerWaalsContact O-N 3.12Å; E705-P708 WeakPolarHBondContact O-CD 3.37Å |
| 706 | E | 75.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73 | -36.4 | 177.6 | -74 | 172.4 | 178.7 | 0 | 0 | 112.4 | K702 R703 L709 I710 | K702-E706 WeakPolarHBondContact O-CB 3.41Å; K702-E706 VanDerWaalsContact O-CG 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.41Å; K702-E706 PolarHBondContact O-N 3.42Å; R703-E706 PolarHBondContact O-N 3.42Å; E706-L709 PolarHBondContact O-N 3.25Å; E706-I710 HydrophobicContact CB-CD1 4.13Å; E706-I710 WeakPolarHBondContact O-CB 3.41Å; E706-I710 VanDerWaalsContact O-CG1 3.31Å; E706-I710 WeakPolarHBondContact O-CG1 3.38Å; E706-I710 PolarHBondContact O-N 3.46Å |
| 707 | I | 76.9 | Confident | 78.9 | Confident | 77 Ų | 77 | 107.7 Ų | 107.7 | 40% | 0.395 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56 | -46.5 | -179.3 | -79.7 | 161 | 0 | 0 | 0 | 112.9 | R703 L709 I710 K711 | R703-I707 WeakPolarHBondContact O-CB 3.25Å; R703-I707 VanDerWaalsContact O-CD1 3.3Å; R703-I707 WeakPolarHBondContact O-CD1 3.39Å; R703-I707 WeakPolarHBondContact O-CG1 3.25Å; R703-I707 PolarHBondContact O-N 3.15Å; I707-L709 VanDerWaalsContact C-N 3.34Å; I707-L709 PolarHBondContact O-N 3.36Å; I707-I710 PolarHBondContact O-N 2.89Å; I707-K711 HydrophobicContact CG2-CD 4.08Å; I707-K711 WeakPolarHBondContact O-CB 3.47Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.43Å; I707-K711 PolarHBondContact O-N 3.43Å |
| 708 | P | 84.3 | Confident | 78.8 | Confident | 65 Ų | 65 | 107.4 Ų | 107.4 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 172.2 | -27.8 | 34.8 | 0 | 0 | 0 | 114.1 | L704 E705 K712 | L704-P708 WeakPolarHBondContact O-CD 3.47Å; E705-P708 WeakPolarHBondContact O-CD 3.37Å; P708-K712 WeakPolarHBondContact O-CG 3.49Å; P708-K712 PolarHBondContact O-N 3.5Å |
| 709 | L | 79.5 | Confident | 79.3 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.5 | -40.6 | 179.4 | -64.3 | 175.2 | 0 | 0 | 0 | 111.7 | E706 I707 K712 A713 | E706-L709 PolarHBondContact O-N 3.25Å; I707-L709 VanDerWaalsContact C-N 3.34Å; I707-L709 PolarHBondContact O-N 3.36Å; L709-K712 PolarHBondContact O-N 3.18Å; L709-A713 WeakPolarHBondContact O-CB 3.38Å; L709-A713 PolarHBondContact O-N 3.11Å |
| 710 | I | 76.6 | Confident | 79.6 | Confident | 90 Ų | 90 | 106 Ų | 106 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 174.2 | -67.8 | 166.7 | 0 | 0 | 0 | 110.3 | E706 I707 A713 Y714 | E706-I710 HydrophobicContact CB-CD1 4.13Å; E706-I710 WeakPolarHBondContact O-CB 3.41Å; E706-I710 VanDerWaalsContact O-CG1 3.31Å; E706-I710 WeakPolarHBondContact O-CG1 3.38Å; E706-I710 PolarHBondContact O-N 3.46Å; I707-I710 PolarHBondContact O-N 2.89Å; I710-A713 PolarHBondContact O-N 3.18Å; I710-Y714 VanDerWaalsContact O-CB 3.3Å; I710-Y714 WeakPolarHBondContact O-CB 3.21Å; I710-Y714 PolarHBondContact O-N 2.73Å |
| 711 | K | 79.8 | Confident | 79.6 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 174.1 | -78.7 | 176.5 | 176.6 | -179.4 | 0 | 112.1 | I707 A713 Y714 E715 | I707-K711 HydrophobicContact CG2-CD 4.08Å; I707-K711 WeakPolarHBondContact O-CB 3.47Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.43Å; I707-K711 PolarHBondContact O-N 3.43Å; K711-A713 PolarHBondContact O-N 2.91Å; K711-Y714 CarbonylContact O-C 3.55Å; K711-Y714 PolarHBondContact O-N 2.9Å; K711-E715 WeakPolarHBondContact O-CB 3.43Å; K711-E715 VanDerWaalsContact O-CG 3.3Å; K711-E715 WeakPolarHBondContact O-CG 3.36Å; K711-E715 PolarHBondContact O-N 3.27Å |
| 712 | K | 85.1 | Confident | 79.6 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 174.5 | -76 | 178.9 | 176.1 | -177 | 0 | 112.5 | P708 L709 Y714 E715 E716 | P708-K712 WeakPolarHBondContact O-CG 3.49Å; P708-K712 PolarHBondContact O-N 3.5Å; L709-K712 PolarHBondContact O-N 3.18Å; K712-Y714 VanDerWaalsContact C-N 3.3Å; K712-Y714 PolarHBondContact O-N 3.5Å; K712-E715 PolarHBondContact O-N 3.47Å; K712-E716 WeakPolarHBondContact O-CB 3.4Å; K712-E716 PolarHBondContact O-N 3.35Å |
| 713 | A | 78.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 106 Ų | 106 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L709 I710 K711 Q717 | L709-A713 WeakPolarHBondContact O-CB 3.38Å; L709-A713 PolarHBondContact O-N 3.11Å; I710-A713 PolarHBondContact O-N 3.18Å; K711-A713 PolarHBondContact O-N 2.91Å; A713-Q717 WeakPolarHBondContact O-CB 3.46Å; A713-Q717 WeakPolarHBondContact O-CG 3.3Å; A713-Q717 PolarHBondContact O-N 2.9Å |
| 714 | Y | 72.2 | Confident | 80.2 | Confident | 157 Ų | 157 | 105.3 Ų | 105.3 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.1 | -36.1 | 176 | -165.2 | -98.1 | 0 | 0 | 0 | 112.5 | I710 K711 K712 Q717 R718 | I710-Y714 VanDerWaalsContact O-CB 3.3Å; I710-Y714 WeakPolarHBondContact O-CB 3.21Å; I710-Y714 PolarHBondContact O-N 2.73Å; K711-Y714 CarbonylContact O-C 3.55Å; K711-Y714 PolarHBondContact O-N 2.9Å; K712-Y714 VanDerWaalsContact C-N 3.3Å; K712-Y714 PolarHBondContact O-N 3.5Å; Y714-Q717 PolarHBondContact O-N 3.38Å; Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 3.43Å |
| 715 | E | 79.8 | Confident | 80.3 | Confident | 117 Ų | 117 | 106.9 Ų | 106.9 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 172 | -75.4 | 164.4 | -177.8 | 0 | 0 | 110.9 | K711 K712 R718 V719 | K711-E715 WeakPolarHBondContact O-CB 3.43Å; K711-E715 VanDerWaalsContact O-CG 3.3Å; K711-E715 WeakPolarHBondContact O-CG 3.36Å; K711-E715 PolarHBondContact O-N 3.27Å; K712-E715 PolarHBondContact O-N 3.47Å; E715-R718 PolarHBondContact O-N 3.29Å; E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 2.82Å |
| 716 | E | 83.1 | Confident | 80.5 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.3 | -82.6 | -170.2 | -134 | 0 | 0 | 112.9 | K712 V719 K720 | K712-E716 WeakPolarHBondContact O-CB 3.4Å; K712-E716 PolarHBondContact O-N 3.35Å; E716-V719 PolarHBondContact O-N 3.1Å; E716-K720 WeakPolarHBondContact O-CD 3.46Å; E716-K720 VanDerWaalsContact O-CG 3.26Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 3.44Å; E716-K720 IonicContact OE2-NZ 3.77Å; E716-K720 PolarHBondContact OE2-NZ 2.9Å |
| 717 | Q | 75.5 | Confident | 81 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 173.5 | -78.6 | -178.4 | -51.5 | 0 | 0 | 110.6 | A713 Y714 V719 K720 D721 | A713-Q717 WeakPolarHBondContact O-CB 3.46Å; A713-Q717 WeakPolarHBondContact O-CG 3.3Å; A713-Q717 PolarHBondContact O-N 2.9Å; Y714-Q717 PolarHBondContact O-N 3.38Å; Q717-V719 PolarHBondContact O-N 2.76Å; Q717-K720 PolarHBondContact O-N 3.23Å; Q717-K720 VanDerWaalsContact O-N 3.1Å; Q717-D721 WeakPolarHBondContact O-CB 3.48Å; Q717-D721 VanDerWaalsContact O-CG 3.23Å; Q717-D721 PolarHBondContact O-N 2.92Å |
| 718 | R | 79.6 | Confident | 80.9 | Confident | 145 Ų | 145 | 107.2 Ų | 107.2 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.1 | -17.3 | -179.8 | -149.9 | -154.2 | 75.8 | -163.6 | 1.8 | 113.8 | Y714 E715 M722 | Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 3.43Å; E715-R718 PolarHBondContact O-N 3.29Å; R718-M722 VanDerWaalsContact O-CB 3.27Å; R718-M722 WeakPolarHBondContact O-CB 3.15Å; R718-M722 PolarHBondContact O-N 2.99Å |
| 719 | V | 88.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 105.7 Ų | 105.7 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -79.7 | -49.7 | 166.2 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | E715 E716 Q717 D721 M722 E723 | E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 2.82Å; E716-V719 PolarHBondContact O-N 3.1Å; Q717-V719 PolarHBondContact O-N 2.76Å; V719-D721 VanDerWaalsContact C-N 3.31Å; V719-D721 PolarHBondContact O-N 2.9Å; V719-M722 CarbonylContact O-C 3.56Å; V719-M722 WeakPolarHBondContact O-CA 3.18Å; V719-M722 WeakPolarHBondContact O-CB 3.18Å; V719-M722 PolarHBondContact O-N 3.13Å; V719-E723 HydrophobicContact CG1-CG 4.3Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.38Å; V719-E723 WeakPolarHBondContact O-CG 3.25Å; V719-E723 PolarHBondContact O-N 2.74Å |
| 720 | K | 82.9 | Confident | 80.8 | Confident | 108 Ų | 108 | 105.9 Ų | 105.9 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 179.2 | -68.5 | 159.3 | -165 | 164.5 | 0 | 112.6 | E716 Q717 M722 L724 | E716-K720 WeakPolarHBondContact O-CD 3.46Å; E716-K720 VanDerWaalsContact O-CG 3.26Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 3.44Å; E716-K720 IonicContact OE2-NZ 3.77Å; E716-K720 PolarHBondContact OE2-NZ 2.9Å; Q717-K720 PolarHBondContact O-N 3.23Å; Q717-K720 VanDerWaalsContact O-N 3.1Å; K720-M722 VanDerWaalsContact C-N 3.33Å; K720-L724 WeakPolarHBondContact O-CB 3.36Å; K720-L724 PolarHBondContact O-N 2.99Å |
| 721 | D | 81 | Confident | 81.1 | Confident | 102 Ų | 102 | 107.9 Ų | 107.9 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.5 | -29.3 | 173.8 | -68.1 | -21.4 | 0 | 0 | 0 | 111.9 | Q717 V719 W725 | Q717-D721 WeakPolarHBondContact O-CB 3.48Å; Q717-D721 VanDerWaalsContact O-CG 3.23Å; Q717-D721 PolarHBondContact O-N 2.92Å; V719-D721 VanDerWaalsContact C-N 3.31Å; V719-D721 PolarHBondContact O-N 2.9Å; D721-W725 WeakPolarHBondContact O-CB 3.34Å; D721-W725 PolarHBondContact O-N 2.72Å |
| 722 | M | 79.1 | Confident | 81.4 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.8 | -47.2 | 174.1 | -176.1 | 177 | -60.6 | 0 | 0 | 110.9 | R718 V719 K720 L724 W725 E726 | R718-M722 VanDerWaalsContact O-CB 3.27Å; R718-M722 WeakPolarHBondContact O-CB 3.15Å; R718-M722 PolarHBondContact O-N 2.99Å; V719-M722 CarbonylContact O-C 3.56Å; V719-M722 WeakPolarHBondContact O-CA 3.18Å; V719-M722 WeakPolarHBondContact O-CB 3.18Å; V719-M722 PolarHBondContact O-N 3.13Å; K720-M722 VanDerWaalsContact C-N 3.33Å; M722-L724 VanDerWaalsContact C-N 3.31Å; M722-L724 PolarHBondContact O-N 2.84Å; M722-W725 PolarHBondContact O-N 2.85Å; M722-E726 WeakPolarHBondContact O-CB 3.39Å; M722-E726 VanDerWaalsContact O-CG 3.32Å; M722-E726 WeakPolarHBondContact O-CG 3.1Å; M722-E726 PolarHBondContact O-N 3.45Å |
| 723 | E | 84.6 | Confident | 81.4 | Confident | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 172.7 | -68.7 | 169.7 | 169.8 | 0 | 0 | 111.3 | V719 E726 L727 | V719-E723 HydrophobicContact CG1-CG 4.3Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.38Å; V719-E723 WeakPolarHBondContact O-CG 3.25Å; V719-E723 PolarHBondContact O-N 2.74Å; E723-E726 PolarHBondContact O-N 3Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 VanDerWaalsContact O-CG 3.28Å; E723-L727 WeakPolarHBondContact O-CG 3.32Å; E723-L727 PolarHBondContact O-N 2.9Å |
| 724 | L | 82.4 | Confident | 81.9 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 177.4 | -175.2 | 131.3 | 0 | 0 | 0 | 112.4 | K720 M722 Q728 | K720-L724 WeakPolarHBondContact O-CB 3.36Å; K720-L724 PolarHBondContact O-N 2.99Å; M722-L724 VanDerWaalsContact C-N 3.31Å; M722-L724 PolarHBondContact O-N 2.84Å; L724-Q728 VanDerWaalsContact CD2-NE2 3.33Å; L724-Q728 WeakPolarHBondContact O-CB 3.5Å; L724-Q728 VanDerWaalsContact O-CG 3.25Å; L724-Q728 WeakPolarHBondContact O-CG 3.27Å; L724-Q728 PolarHBondContact O-N 2.81Å |
| 725 | W | 82.8 | Confident | 82.5 | Confident | 150 Ų | 150 | 103.7 Ų | 103.7 | 57% | 0.568 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.8 | -40.9 | 171.4 | -179.4 | 78.9 | 0 | 0 | 0 | 112 | D721 M722 Q728 E729 | D721-W725 WeakPolarHBondContact O-CB 3.34Å; D721-W725 PolarHBondContact O-N 2.72Å; M722-W725 PolarHBondContact O-N 2.85Å; W725-Q728 PolarHBondContact O-N 3.26Å; W725-E729 HydrophobicContact CH2-CB 4.38Å; W725-E729 HydrophobicContact CH2-CG 4.1Å; W725-E729 HydrophobicContact CZ2-CB 4.25Å; W725-E729 HydrophobicContact CZ2-CG 4.09Å; W725-E729 VanDerWaalsContact O-CB 3.25Å; W725-E729 WeakPolarHBondContact O-CB 3.33Å; W725-E729 PolarHBondContact O-N 3.24Å |
| 726 | E | 82.9 | Confident | 82.6 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.7 | -75.7 | 177.6 | 172.9 | 0 | 0 | 110.8 | M722 E723 Q728 E729 E730 | M722-E726 WeakPolarHBondContact O-CB 3.39Å; M722-E726 VanDerWaalsContact O-CG 3.32Å; M722-E726 WeakPolarHBondContact O-CG 3.1Å; M722-E726 PolarHBondContact O-N 3.45Å; E723-E726 PolarHBondContact O-N 3Å; E726-Q728 PolarHBondContact O-N 3.18Å; E726-E729 PolarHBondContact O-N 2.94Å; E726-E730 WeakPolarHBondContact O-CB 3.17Å; E726-E730 WeakPolarHBondContact O-CG 3.32Å; E726-E730 PolarHBondContact O-N 3.42Å |
| 727 | L | 84.6 | Confident | 82.8 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 59% | 0.586 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 172.3 | -75.3 | 167.2 | 0 | 0 | 0 | 112.3 | E723 E730 E731 | E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 VanDerWaalsContact O-CG 3.28Å; E723-L727 WeakPolarHBondContact O-CG 3.32Å; E723-L727 PolarHBondContact O-N 2.9Å; L727-E730 PolarHBondContact O-N 3.25Å; L727-E731 WeakPolarHBondContact O-CB 3.37Å; L727-E731 WeakPolarHBondContact O-CG 3.35Å; L727-E731 PolarHBondContact O-N 3.21Å |
| 728 | Q | 75.1 | Confident | 83.4 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 176.3 | -76.3 | 177.8 | 15.8 | 0 | 0 | 112.7 | L724 W725 E726 R732 | L724-Q728 VanDerWaalsContact CD2-NE2 3.33Å; L724-Q728 WeakPolarHBondContact O-CB 3.5Å; L724-Q728 VanDerWaalsContact O-CG 3.25Å; L724-Q728 WeakPolarHBondContact O-CG 3.27Å; L724-Q728 PolarHBondContact O-N 2.81Å; W725-Q728 PolarHBondContact O-N 3.26Å; E726-Q728 PolarHBondContact O-N 3.18Å; Q728-R732 WeakPolarHBondContact O-CB 3.4Å; Q728-R732 PolarHBondContact O-N 3.02Å |
| 729 | E | 78.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 99.2 Ų | 99.2 | 15% | 0.154 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -75.7 | -34.4 | 176.9 | -170.7 | 59.7 | -126.5 | 0 | 0 | 111 | W725 E726 R732 I733 | W725-E729 HydrophobicContact CH2-CB 4.38Å; W725-E729 HydrophobicContact CH2-CG 4.1Å; W725-E729 HydrophobicContact CZ2-CB 4.25Å; W725-E729 HydrophobicContact CZ2-CG 4.09Å; W725-E729 VanDerWaalsContact O-CB 3.25Å; W725-E729 WeakPolarHBondContact O-CB 3.33Å; W725-E729 PolarHBondContact O-N 3.24Å; E726-E729 PolarHBondContact O-N 2.94Å; E729-R732 VanDerWaalsContact CD-NE 3.31Å; E729-R732 PolarHBondContact O-N 3.49Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NE 3.67Å; E729-R732 PolarHBondContact OE1-NE 3.22Å; E729-R732 IonicContact OE1-NH2 2.62Å; E729-R732 PolarHBondContact OE1-NH2 3.29Å; E729-R732 IonicContact OE2-CZ 3.53Å; E729-R732 IonicContact OE2-NE 3.48Å; E729-R732 PolarHBondContact OE2-NE 2.85Å; E729-R732 VanDerWaalsContact OE2-NE 3.09Å; E729-R732 IonicContact OE2-NH1 2.98Å; E729-R732 IonicContact OE2-NH2 3.18Å; E729-R732 PolarHBondContact OE2-NH2 2.79Å; E729-I733 HydrophobicContact CG-CD1 3.91Å; E729-I733 HydrophobicContact CG-CG1 4.44Å; E729-I733 WeakPolarHBondContact O-CB 3.13Å; E729-I733 WeakPolarHBondContact O-CD1 3.49Å; E729-I733 WeakPolarHBondContact O-CG1 3.45Å; E729-I733 PolarHBondContact O-N 3.5Å |
| 730 | E | 83.8 | Confident | 83.1 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -46.2 | 168.7 | -77.5 | -158.4 | 153.1 | 0 | 0 | 111.6 | E726 L727 R732 I733 N734 | E726-E730 WeakPolarHBondContact O-CB 3.17Å; E726-E730 WeakPolarHBondContact O-CG 3.32Å; E726-E730 PolarHBondContact O-N 3.42Å; L727-E730 PolarHBondContact O-N 3.25Å; E730-R732 VanDerWaalsContact C-N 3.33Å; E730-R732 PolarHBondContact O-N 3.38Å; E730-I733 PolarHBondContact O-N 2.7Å; E730-N734 WeakPolarHBondContact O-CB 3.08Å; E730-N734 PolarHBondContact O-N 2.71Å; E730-N734 PolarHBondContact O-ND2 2.85Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å |
| 731 | E | 82.6 | Confident | 83.3 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 172.4 | -77.3 | -167 | 161.6 | 0 | 0 | 111.2 | L727 N734 N735 | L727-E731 WeakPolarHBondContact O-CB 3.37Å; L727-E731 WeakPolarHBondContact O-CG 3.35Å; L727-E731 PolarHBondContact O-N 3.21Å; E731-N734 PolarHBondContact O-N 3.15Å; E731-N735 VanDerWaalsContact O-CB 3.32Å; E731-N735 WeakPolarHBondContact O-CB 3.32Å; E731-N735 VanDerWaalsContact O-CG 3.3Å; E731-N735 PolarHBondContact O-N 3.1Å; E731-N735 PolarHBondContact O-ND2 3.26Å |
| 732 | R | 86.2 | Confident | 83.4 | Confident | 145 Ų | 145 | 105.7 Ų | 105.7 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.1 | -168.8 | 179.9 | 79.7 | 155.6 | 1.2 | 111.6 | Q728 E729 E730 N734 N735 L736 | Q728-R732 WeakPolarHBondContact O-CB 3.4Å; Q728-R732 PolarHBondContact O-N 3.02Å; E729-R732 VanDerWaalsContact CD-NE 3.31Å; E729-R732 PolarHBondContact O-N 3.49Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NE 3.67Å; E729-R732 PolarHBondContact OE1-NE 3.22Å; E729-R732 IonicContact OE1-NH2 2.62Å; E729-R732 PolarHBondContact OE1-NH2 3.29Å; E729-R732 IonicContact OE2-CZ 3.53Å; E729-R732 IonicContact OE2-NE 3.48Å; E729-R732 PolarHBondContact OE2-NE 2.85Å; E729-R732 VanDerWaalsContact OE2-NE 3.09Å; E729-R732 IonicContact OE2-NH1 2.98Å; E729-R732 IonicContact OE2-NH2 3.18Å; E729-R732 PolarHBondContact OE2-NH2 2.79Å; E730-R732 VanDerWaalsContact C-N 3.33Å; E730-R732 PolarHBondContact O-N 3.38Å; R732-N734 VanDerWaalsContact C-N 3.35Å; R732-N735 PolarHBondContact O-N 2.86Å; R732-L736 HydrophobicContact CG-CD1 4.06Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 VanDerWaalsContact O-CG 3.22Å; R732-L736 WeakPolarHBondContact O-CG 3.4Å; R732-L736 PolarHBondContact O-N 3.42Å |
| 733 | I | 85.5 | Confident | 83.6 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 177.6 | -76.4 | 168.4 | 0 | 0 | 0 | 110.6 | E729 E730 L736 K737 | E729-I733 HydrophobicContact CG-CD1 3.91Å; E729-I733 HydrophobicContact CG-CG1 4.44Å; E729-I733 WeakPolarHBondContact O-CB 3.13Å; E729-I733 WeakPolarHBondContact O-CD1 3.49Å; E729-I733 WeakPolarHBondContact O-CG1 3.45Å; E729-I733 PolarHBondContact O-N 3.5Å; E730-I733 PolarHBondContact O-N 2.7Å; I733-L736 CarbonylContact O-C 3.57Å; I733-L736 PolarHBondContact O-N 2.9Å; I733-K737 HydrophobicContact CG2-CD 4.29Å; I733-K737 VanDerWaalsContact CG2-CE 3.43Å; I733-K737 WeakPolarHBondContact O-CB 3.28Å; I733-K737 VanDerWaalsContact O-CG 3.24Å; I733-K737 WeakPolarHBondContact O-CG 3.16Å; I733-K737 PolarHBondContact O-N 3.4Å |
| 734 | N | 88.9 | Confident | 83.6 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 178.1 | -69.4 | -27.9 | 0 | 0 | 0 | 111.8 | E730 E731 R732 K737 I738 | E730-N734 WeakPolarHBondContact O-CB 3.08Å; E730-N734 PolarHBondContact O-N 2.71Å; E730-N734 PolarHBondContact O-ND2 2.85Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å; E731-N734 PolarHBondContact O-N 3.15Å; R732-N734 VanDerWaalsContact C-N 3.35Å; N734-K737 WeakPolarHBondContact O-CB 3.27Å; N734-K737 PolarHBondContact O-N 2.87Å; N734-K737 PolarHBondContact OD1-NZ 2.96Å; N734-I738 WeakPolarHBondContact O-CD1 3.22Å; N734-I738 VanDerWaalsContact O-CG1 3.27Å; N734-I738 WeakPolarHBondContact O-CG1 3.34Å; N734-I738 PolarHBondContact O-N 3.18Å |
| 735 | N | 85.6 | Confident | 83.7 | Confident | 92 Ų | 92 | 105 Ų | 105 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 168.8 | -75.2 | -46.7 | 0 | 0 | 0 | 111.2 | E731 R732 K737 I738 E739 | E731-N735 VanDerWaalsContact O-CB 3.32Å; E731-N735 WeakPolarHBondContact O-CB 3.32Å; E731-N735 VanDerWaalsContact O-CG 3.3Å; E731-N735 PolarHBondContact O-N 3.1Å; E731-N735 PolarHBondContact O-ND2 3.26Å; R732-N735 PolarHBondContact O-N 2.86Å; N735-K737 VanDerWaalsContact C-N 3.33Å; N735-K737 PolarHBondContact O-N 3.25Å; N735-I738 PolarHBondContact O-N 3.4Å; N735-E739 WeakPolarHBondContact O-CB 3.28Å; N735-E739 WeakPolarHBondContact O-CG 3.47Å; N735-E739 PolarHBondContact O-N 3.44Å |
| 736 | L | 80.8 | Confident | 83.6 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 175.3 | -73.5 | 169.9 | 0 | 0 | 0 | 113.2 | R732 I733 R740 | R732-L736 HydrophobicContact CG-CD1 4.06Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 VanDerWaalsContact O-CG 3.22Å; R732-L736 WeakPolarHBondContact O-CG 3.4Å; R732-L736 PolarHBondContact O-N 3.42Å; I733-L736 CarbonylContact O-C 3.57Å; I733-L736 PolarHBondContact O-N 2.9Å; L736-R740 WeakPolarHBondContact O-CB 3.33Å; L736-R740 PolarHBondContact O-N 2.67Å |
| 737 | K | 87.1 | Confident | 83.5 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 47% | 0.47 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -50.4 | 170 | -75.5 | 167.3 | -166.2 | 157.1 | 0 | 110.4 | I733 N734 N735 E739 R740 E741 | I733-K737 HydrophobicContact CG2-CD 4.29Å; I733-K737 VanDerWaalsContact CG2-CE 3.43Å; I733-K737 WeakPolarHBondContact O-CB 3.28Å; I733-K737 VanDerWaalsContact O-CG 3.24Å; I733-K737 WeakPolarHBondContact O-CG 3.16Å; I733-K737 PolarHBondContact O-N 3.4Å; N734-K737 WeakPolarHBondContact O-CB 3.27Å; N734-K737 PolarHBondContact O-N 2.87Å; N734-K737 PolarHBondContact OD1-NZ 2.96Å; N735-K737 VanDerWaalsContact C-N 3.33Å; N735-K737 PolarHBondContact O-N 3.25Å; K737-E739 PolarHBondContact O-N 3.17Å; K737-R740 CarbonylContact O-C 3.6Å; K737-R740 WeakPolarHBondContact O-CB 3.41Å; K737-R740 PolarHBondContact O-N 3.31Å; K737-R740 VanDerWaalsContact O-N 3.15Å; K737-E741 WeakPolarHBondContact O-CB 3.41Å; K737-E741 WeakPolarHBondContact O-CG 3.43Å; K737-E741 PolarHBondContact O-N 2.97Å |
| 738 | I | 87.7 | Confident | 83.4 | Confident | 74 Ų | 74 | 107.2 Ų | 107.2 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 180 | -68.7 | 163.5 | 0 | 0 | 0 | 111.2 | N734 N735 E741 K742 | N734-I738 WeakPolarHBondContact O-CD1 3.22Å; N734-I738 VanDerWaalsContact O-CG1 3.27Å; N734-I738 WeakPolarHBondContact O-CG1 3.34Å; N734-I738 PolarHBondContact O-N 3.18Å; N735-I738 PolarHBondContact O-N 3.4Å; I738-E741 PolarHBondContact O-N 3.27Å; I738-K742 HydrophobicContact CG2-CD 4.12Å; I738-K742 WeakPolarHBondContact O-CB 3.45Å; I738-K742 VanDerWaalsContact O-CG 3.27Å; I738-K742 WeakPolarHBondContact O-CG 3.38Å; I738-K742 PolarHBondContact O-N 3.47Å |
| 739 | E | 81.3 | Confident | 83.7 | Confident | 119 Ų | 119 | 111 Ų | 111 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 172.8 | -74.7 | -177.6 | 167.4 | 0 | 0 | 111.5 | N735 K737 A743 | N735-E739 WeakPolarHBondContact O-CB 3.28Å; N735-E739 WeakPolarHBondContact O-CG 3.47Å; N735-E739 PolarHBondContact O-N 3.44Å; K737-E739 PolarHBondContact O-N 3.17Å; E739-A743 WeakPolarHBondContact O-CB 3.5Å; E739-A743 PolarHBondContact O-N 3.47Å |
| 740 | R | 81.8 | Confident | 83.6 | Confident | 179 Ų | 179 | 114.5 Ų | 114.5 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 174.6 | 177.4 | 173.6 | 174.1 | 155.7 | -2.5 | 112.3 | L736 K737 A743 L744 | L736-R740 WeakPolarHBondContact O-CB 3.33Å; L736-R740 PolarHBondContact O-N 2.67Å; K737-R740 CarbonylContact O-C 3.6Å; K737-R740 WeakPolarHBondContact O-CB 3.41Å; K737-R740 PolarHBondContact O-N 3.31Å; K737-R740 VanDerWaalsContact O-N 3.15Å; R740-A743 PolarHBondContact O-N 3Å; R740-L744 HydrophobicContact CG-CD1 4Å; R740-L744 HydrophobicContact CG-CG 4.42Å; R740-L744 VanDerWaalsContact O-CB 3.27Å; R740-L744 WeakPolarHBondContact O-CB 3.37Å; R740-L744 WeakPolarHBondContact O-CG 2.8Å; R740-L744 PolarHBondContact O-N 2.91Å |
| 741 | E | 85.7 | Confident | 83.3 | Confident | 123 Ų | 123 | 111.6 Ų | 111.6 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.8 | -52.3 | 174.8 | -77 | 175.6 | 163.4 | 0 | 0 | 110.3 | K737 I738 A743 L744 E745 | K737-E741 WeakPolarHBondContact O-CB 3.41Å; K737-E741 WeakPolarHBondContact O-CG 3.43Å; K737-E741 PolarHBondContact O-N 2.97Å; I738-E741 PolarHBondContact O-N 3.27Å; E741-A743 VanDerWaalsContact C-N 3.3Å; E741-A743 PolarHBondContact O-N 3.38Å; E741-L744 CarbonylContact O-C 3.53Å; E741-L744 WeakPolarHBondContact O-CA 3.48Å; E741-L744 WeakPolarHBondContact O-CB 3.37Å; E741-L744 PolarHBondContact O-N 2.8Å; E741-E745 WeakPolarHBondContact O-CG 3.33Å; E741-E745 PolarHBondContact O-N 3.02Å |
| 742 | K | 85 | Confident | 83.1 | Confident | 112 Ų | 112 | 115.3 Ų | 115.3 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.8 | -43.9 | 172 | -70.2 | 167 | -176.8 | 171.2 | 0 | 111.6 | I738 L744 E745 H746 | I738-K742 HydrophobicContact CG2-CD 4.12Å; I738-K742 WeakPolarHBondContact O-CB 3.45Å; I738-K742 VanDerWaalsContact O-CG 3.27Å; I738-K742 WeakPolarHBondContact O-CG 3.38Å; I738-K742 PolarHBondContact O-N 3.47Å; K742-L744 VanDerWaalsContact C-N 3.31Å; K742-L744 PolarHBondContact O-N 3.4Å; K742-E745 PolarHBondContact O-N 2.87Å; K742-H746 WeakPolarHBondContact O-CB 3.27Å; K742-H746 PolarHBondContact O-CD2 3.21Å; K742-H746 PolarHBondContact O-N 2.77Å |
| 743 | A | 82.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 113.2 Ų | 113.2 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -29.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | E739 R740 E741 K747 | E739-A743 WeakPolarHBondContact O-CB 3.5Å; E739-A743 PolarHBondContact O-N 3.47Å; R740-A743 PolarHBondContact O-N 3Å; E741-A743 VanDerWaalsContact C-N 3.3Å; E741-A743 PolarHBondContact O-N 3.38Å; A743-K747 WeakPolarHBondContact O-CB 3.36Å; A743-K747 PolarHBondContact O-N 2.93Å |
| 744 | L | 85.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 113 Ų | 113 | 40% | 0.398 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.7 | -33.5 | 172.1 | -76.5 | 169.1 | 0 | 0 | 0 | 112.1 | R740 E741 K742 K747 K748 | R740-L744 HydrophobicContact CG-CD1 4Å; R740-L744 HydrophobicContact CG-CG 4.42Å; R740-L744 VanDerWaalsContact O-CB 3.27Å; R740-L744 WeakPolarHBondContact O-CB 3.37Å; R740-L744 WeakPolarHBondContact O-CG 2.8Å; R740-L744 PolarHBondContact O-N 2.91Å; E741-L744 CarbonylContact O-C 3.53Å; E741-L744 WeakPolarHBondContact O-CA 3.48Å; E741-L744 WeakPolarHBondContact O-CB 3.37Å; E741-L744 PolarHBondContact O-N 2.8Å; K742-L744 VanDerWaalsContact C-N 3.31Å; K742-L744 PolarHBondContact O-N 3.4Å; L744-K747 PolarHBondContact O-N 3.29Å; L744-K748 WeakPolarHBondContact O-CB 3.48Å; L744-K748 WeakPolarHBondContact O-CG 3.43Å; L744-K748 PolarHBondContact O-N 3.27Å |
| 745 | E | 83.2 | Confident | 81.7 | Confident | 133 Ų | 133 | 117.6 Ų | 117.6 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -48.2 | 170 | -69.7 | -178.5 | 153.3 | 0 | 0 | 111.2 | E741 K742 K747 K748 R749 | E741-E745 WeakPolarHBondContact O-CG 3.33Å; E741-E745 PolarHBondContact O-N 3.02Å; K742-E745 PolarHBondContact O-N 2.87Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 3.12Å; E745-K748 PolarHBondContact O-N 3.15Å; E745-R749 WeakPolarHBondContact O-CB 3.41Å; E745-R749 PolarHBondContact O-N 3.02Å |
| 746 | H | 82.1 | Confident | 81.4 | Confident | 117 Ų | 117 | 118.8 Ų | 118.8 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.2 | -43.1 | 170.3 | -70.5 | -58.4 | 0 | 0 | 0 | 110.8 | K742 K748 R749 M750 | K742-H746 WeakPolarHBondContact O-CB 3.27Å; K742-H746 PolarHBondContact O-CD2 3.21Å; K742-H746 PolarHBondContact O-N 2.77Å; H746-K748 PolarHBondContact O-N 2.91Å; H746-R749 PolarHBondContact O-N 3.05Å; H746-M750 WeakPolarHBondContact O-CB 3.48Å; H746-M750 WeakPolarHBondContact O-CG 3.39Å; H746-M750 PolarHBondContact O-N 2.83Å |
| 747 | K | 81.1 | Confident | 81.2 | Confident | 147 Ų | 147 | 119.7 Ų | 119.7 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -41.3 | 174.5 | -174.4 | 177.9 | 179.3 | -179.1 | 0 | 112.1 | A743 L744 E745 R749 M750 S751 | A743-K747 WeakPolarHBondContact O-CB 3.36Å; A743-K747 PolarHBondContact O-N 2.93Å; L744-K747 PolarHBondContact O-N 3.29Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 3.12Å; K747-R749 VanDerWaalsContact C-N 3.34Å; K747-M750 PolarHBondContact O-N 3.49Å; K747-S751 WeakPolarHBondContact O-CA 3.18Å; K747-S751 WeakPolarHBondContact O-CB 3.42Å; K747-S751 PolarHBondContact O-N 3.34Å; K747-S751 PolarHBondContact O-OG 2.68Å |
| 748 | K | 82 | Confident | 80.9 | Confident | 147 Ų | 147 | 119.8 Ų | 119.8 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.6 | -30.4 | 175 | -75.8 | 167.9 | 179.8 | 176.8 | 0 | 113 | L744 E745 H746 S751 | L744-K748 WeakPolarHBondContact O-CB 3.48Å; L744-K748 WeakPolarHBondContact O-CG 3.43Å; L744-K748 PolarHBondContact O-N 3.27Å; E745-K748 PolarHBondContact O-N 3.15Å; H746-K748 PolarHBondContact O-N 2.91Å; K748-S751 WeakPolarHBondContact CA-OG 3.08Å; K748-S751 PolarHBondContact O-OG 3.34Å; K748-S751 VanDerWaalsContact O-OG 3.11Å |
| 749 | R | 81.2 | Confident | 80.8 | Confident | 190 Ų | 190 | 117.9 Ų | 117.9 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.3 | -46.4 | 174.2 | -175 | 172.9 | 178.1 | 161.4 | -1 | 111 | E745 H746 K747 | E745-R749 WeakPolarHBondContact O-CB 3.41Å; E745-R749 PolarHBondContact O-N 3.02Å; H746-R749 PolarHBondContact O-N 3.05Å; K747-R749 VanDerWaalsContact C-N 3.34Å |
| 750 | M | 76.2 | Confident | 80.6 | Confident | 107 Ų | 107 | 118.5 Ų | 118.5 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.4 | -22.2 | -180 | -62.7 | -57.7 | -67.7 | 0 | 0 | 113.3 | H746 K747 R752 M753 M754 | H746-M750 WeakPolarHBondContact O-CB 3.48Å; H746-M750 WeakPolarHBondContact O-CG 3.39Å; H746-M750 PolarHBondContact O-N 2.83Å; K747-M750 PolarHBondContact O-N 3.49Å; M750-R752 PolarHBondContact O-N 3.41Å; M750-M753 HydrophobicContact CE-SD 4.13Å; M750-M753 CarbonylContact O-C 3.16Å; M750-M753 WeakPolarHBondContact O-CA 3.47Å; M750-M753 WeakPolarHBondContact O-CB 3.3Å; M750-M753 PolarHBondContact O-N 3.34Å; M750-M753 HydrophobicContact SD-SD 4.19Å; M750-M754 PolarHBondContact O-N 3.43Å |
| 751 | S | 77.1 | Confident | 80.3 | Confident | 60 Ų | 60 | 113.4 Ų | 113.4 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -65.5 | -26.1 | 175.4 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | K747 K748 M753 M754 | K747-S751 WeakPolarHBondContact O-CA 3.18Å; K747-S751 WeakPolarHBondContact O-CB 3.42Å; K747-S751 PolarHBondContact O-N 3.34Å; K747-S751 PolarHBondContact O-OG 2.68Å; K748-S751 WeakPolarHBondContact CA-OG 3.08Å; K748-S751 PolarHBondContact O-OG 3.34Å; K748-S751 VanDerWaalsContact O-OG 3.11Å; S751-M753 PolarHBondContact O-N 3.3Å; S751-M754 WeakPolarHBondContact O-CB 3.46Å; S751-M754 PolarHBondContact O-N 3.16Å; S751-M754 VanDerWaalsContact O-N 3.09Å |
| 752 | R | 78.8 | Confident | 80.1 | Confident | 210 Ų | 210 | 110.1 Ų | 110.1 | 79% | 0.792 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -64.3 | -21.8 | 170 | -60.2 | 179.7 | -179.3 | -174.7 | -2.2 | 113 | M750 | M750-R752 PolarHBondContact O-N 3.41Š|
| 753 | M | 76.2 | Confident | 79.9 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 50% | 0.498 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -101.6 | 4.6 | 175.4 | -56.9 | 176.9 | 68.9 | 0 | 0 | 112 | M750 S751 K757 | M750-M753 HydrophobicContact CE-SD 4.13Å; M750-M753 CarbonylContact O-C 3.16Å; M750-M753 WeakPolarHBondContact O-CA 3.47Å; M750-M753 WeakPolarHBondContact O-CB 3.3Å; M750-M753 PolarHBondContact O-N 3.34Å; M750-M753 HydrophobicContact SD-SD 4.19Å; S751-M753 PolarHBondContact O-N 3.3Å; M753-K757 WeakPolarHBondContact O-CB 3.4Å; M753-K757 PolarHBondContact O-N 3.18Å |
| 754 | M | 74.9 | Confident | 79.8 | Confident | 67 Ų | 67 | 112.6 Ų | 112.6 | 33% | 0.33 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 179.1 | -81.1 | -69.5 | -66.5 | 0 | 0 | 111.4 | M750 S751 K757 E758 | M750-M754 PolarHBondContact O-N 3.43Å; S751-M754 WeakPolarHBondContact O-CB 3.46Å; S751-M754 PolarHBondContact O-N 3.16Å; S751-M754 VanDerWaalsContact O-N 3.09Å; M754-K757 PolarHBondContact O-N 3.24Å; M754-K757 HydrophobicContact SD-CD 3.72Å; M754-E758 HydrophobicContact CE-CG 4.37Å; M754-E758 WeakPolarHBondContact CE-OE1 3.33Å; M754-E758 WeakPolarHBondContact O-CB 3.41Å; M754-E758 VanDerWaalsContact O-CG 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.22Å; M754-E758 PolarHBondContact O-N 2.81Å |
| 755 | E | 79.5 | Confident | 79.2 | Confident | 164 Ų | 164 | 112.4 Ų | 112.4 | 77% | 0.766 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 175.6 | -66.5 | 173.2 | -164.9 | 0 | 0 | 111.4 | E758 G759 | E755-E758 PolarHBondContact O-N 2.72Å; E755-G759 PolarHBondContact O-N 3.45Å |
| 756 | D | 79.4 | Confident | 78.9 | Confident | 117 Ų | 117 | 109.1 Ų | 109.1 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 173 | -68.9 | -47.3 | 0 | 0 | 0 | 112.2 | G759 F760 | D756-G759 PolarHBondContact O-N 2.9Å; D756-F760 VanDerWaalsContact O-CB 3.23Å; D756-F760 WeakPolarHBondContact O-CB 3.31Å; D756-F760 PolarHBondContact O-N 3.06Å |
| 757 | K | 77.5 | Confident | 78.6 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 178.9 | 179.9 | -156.2 | 169 | -158.5 | 0 | 111.2 | M753 M754 F760 L761 | M753-K757 WeakPolarHBondContact O-CB 3.4Å; M753-K757 PolarHBondContact O-N 3.18Å; M754-K757 PolarHBondContact O-N 3.24Å; M754-K757 HydrophobicContact SD-CD 3.72Å; K757-F760 PolarHBondContact O-N 2.82Å; K757-L761 HydrophobicContact CD-CD1 4.39Å; K757-L761 HydrophobicContact CG-CD1 4.01Å; K757-L761 HydrophobicContact CG-CG 4.35Å; K757-L761 WeakPolarHBondContact O-CA 3.43Å; K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 VanDerWaalsContact O-CG 3.27Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.11Å |
| 758 | E | 80.8 | Confident | 78.2 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74 | -36.2 | 176.8 | -74.7 | 174.6 | -177.8 | 0 | 0 | 110.8 | M754 E755 A762 | M754-E758 HydrophobicContact CE-CG 4.37Å; M754-E758 WeakPolarHBondContact CE-OE1 3.33Å; M754-E758 WeakPolarHBondContact O-CB 3.41Å; M754-E758 VanDerWaalsContact O-CG 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.22Å; M754-E758 PolarHBondContact O-N 2.81Å; E755-E758 PolarHBondContact O-N 2.72Å; E758-A762 WeakPolarHBondContact O-CA 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.45Å; E758-A762 PolarHBondContact O-N 3.06Å |
| 759 | G | 84.6 | Confident | 77.8 | Confident | 33 Ų | 33 | 99.7 Ų | 99.7 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E755 D756 K763 | E755-G759 PolarHBondContact O-N 3.45Å; D756-G759 PolarHBondContact O-N 2.9Å; G759-K763 VanDerWaalsContact O-CD 3.32Å; G759-K763 WeakPolarHBondContact O-CD 3.41Å; G759-K763 VanDerWaalsContact O-CG 3.28Å; G759-K763 WeakPolarHBondContact O-CG 3.27Å; G759-K763 PolarHBondContact O-N 3.24Å |
| 760 | F | 78.1 | Confident | 77.5 | Confident | 133 Ų | 133 | 96.4 Ų | 96.4 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.9 | -45.7 | 175 | -178.6 | -110.3 | 0 | 0 | 0 | 111.9 | D756 K757 K763 I764 | D756-F760 VanDerWaalsContact O-CB 3.23Å; D756-F760 WeakPolarHBondContact O-CB 3.31Å; D756-F760 PolarHBondContact O-N 3.06Å; K757-F760 PolarHBondContact O-N 2.82Å; F760-K763 PolarHBondContact O-N 2.91Å; F760-I764 HydrophobicContact CD1-CD1 4.03Å; F760-I764 HydrophobicContact CD2-CD1 4.45Å; F760-I764 HydrophobicContact CE1-CD1 3.46Å; F760-I764 VanDerWaalsContact CE1-CD1 3.46Å; F760-I764 HydrophobicContact CE2-CD1 3.93Å; F760-I764 HydrophobicContact CZ-CD1 3.4Å; F760-I764 VanDerWaalsContact CZ-CD1 3.4Å; F760-I764 PolarHBondContact O-N 3.27Å |
| 761 | L | 75.9 | Confident | 77.5 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 38% | 0.377 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174 | -76.6 | 178.7 | 0 | 0 | 0 | 110.7 | K757 K763 I764 T765 | K757-L761 HydrophobicContact CD-CD1 4.39Å; K757-L761 HydrophobicContact CG-CD1 4.01Å; K757-L761 HydrophobicContact CG-CG 4.35Å; K757-L761 WeakPolarHBondContact O-CA 3.43Å; K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 VanDerWaalsContact O-CG 3.27Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.11Å; L761-K763 PolarHBondContact O-N 2.95Å; L761-I764 CarbonylContact O-C 3.05Å; L761-I764 VanDerWaalsContact O-C 3.28Å; L761-I764 WeakPolarHBondContact O-CA 3.34Å; L761-I764 PolarHBondContact O-N 3.32Å; L761-T765 WeakPolarHBondContact O-CA 3.26Å; L761-T765 WeakPolarHBondContact O-CB 3.35Å; L761-T765 WeakPolarHBondContact O-CG2 3.49Å; L761-T765 PolarHBondContact O-N 2.89Å; L761-T765 PolarHBondContact O-OG1 3.35Å |
| 762 | A | 80.7 | Confident | 77.3 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -31.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E758 T765 A766 | E758-A762 WeakPolarHBondContact O-CA 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.45Å; E758-A762 PolarHBondContact O-N 3.06Å; A762-T765 WeakPolarHBondContact CA-OG1 3.44Å; A762-T765 CarbonylContact O-C 3.6Å; A762-A766 WeakPolarHBondContact O-CB 3.48Å; A762-A766 PolarHBondContact O-N 3.48Å |
| 763 | K | 81.7 | Confident | 77.3 | Confident | 154 Ų | 154 | 89 Ų | 89 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.2 | -44.4 | 170.1 | -71 | 165.7 | -171.7 | 170.7 | 0 | 111.4 | G759 F760 L761 T765 A766 A767 | G759-K763 VanDerWaalsContact O-CD 3.32Å; G759-K763 WeakPolarHBondContact O-CD 3.41Å; G759-K763 VanDerWaalsContact O-CG 3.28Å; G759-K763 WeakPolarHBondContact O-CG 3.27Å; G759-K763 PolarHBondContact O-N 3.24Å; F760-K763 PolarHBondContact O-N 2.91Å; L761-K763 PolarHBondContact O-N 2.95Å; K763-T765 PolarHBondContact O-N 3.43Å; K763-A766 PolarHBondContact O-N 2.97Å; K763-A767 WeakPolarHBondContact O-CB 3.42Å; K763-A767 PolarHBondContact O-N 3.33Å |
| 764 | I | 79.1 | Confident | 77.4 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.3 | -14.9 | 175.3 | -71 | 179.3 | 0 | 0 | 0 | 113 | F760 L761 A767 R768 | F760-I764 HydrophobicContact CD1-CD1 4.03Å; F760-I764 HydrophobicContact CD2-CD1 4.45Å; F760-I764 HydrophobicContact CE1-CD1 3.46Å; F760-I764 VanDerWaalsContact CE1-CD1 3.46Å; F760-I764 HydrophobicContact CE2-CD1 3.93Å; F760-I764 HydrophobicContact CZ-CD1 3.4Å; F760-I764 VanDerWaalsContact CZ-CD1 3.4Å; F760-I764 PolarHBondContact O-N 3.27Å; L761-I764 CarbonylContact O-C 3.05Å; L761-I764 VanDerWaalsContact O-C 3.28Å; L761-I764 WeakPolarHBondContact O-CA 3.34Å; L761-I764 PolarHBondContact O-N 3.32Å; I764-A767 CarbonylContact O-C 3.58Å; I764-R768 WeakPolarHBondContact O-CB 3.42Å; I764-R768 PolarHBondContact O-N 2.65Å |
| 765 | T | 73.5 | Confident | 77.7 | Confident | 71 Ų | 71 | 89.3 Ų | 89.3 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 11.6 | 176.9 | 74.5 | 0 | 0 | 0 | 0 | 114.7 | L761 A762 K763 R768 S769 | L761-T765 WeakPolarHBondContact O-CA 3.26Å; L761-T765 WeakPolarHBondContact O-CB 3.35Å; L761-T765 WeakPolarHBondContact O-CG2 3.49Å; L761-T765 PolarHBondContact O-N 2.89Å; L761-T765 PolarHBondContact O-OG1 3.35Å; A762-T765 WeakPolarHBondContact CA-OG1 3.44Å; A762-T765 CarbonylContact O-C 3.6Å; K763-T765 PolarHBondContact O-N 3.43Å; T765-R768 VanDerWaalsContact C-C 3.41Å; T765-R768 VanDerWaalsContact CA-CA 3.48Å; T765-R768 HydrophobicContact CG2-CB 4.11Å; T765-R768 CarbonylContact O-C 3.52Å; T765-S769 WeakPolarHBondContact O-CA 3.24Å; T765-S769 WeakPolarHBondContact O-CB 3.5Å; T765-S769 PolarHBondContact O-N 3.12Å |
| 766 | A | 77.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 85 Ų | 85 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -14.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A762 K763 R768 S769 E1150 | A762-A766 WeakPolarHBondContact O-CB 3.48Å; A762-A766 PolarHBondContact O-N 3.48Å; K763-A766 PolarHBondContact O-N 2.97Å; A766-R768 VanDerWaalsContact C-N 3.32Å; A766-S769 WeakPolarHBondContact CA-OG 3.33Å; A766-S769 PolarHBondContact O-OG 2.92Å; A766-E1150 VanDerWaalsContact C-OE1 3.31Å; A766-E1150 VanDerWaalsContact O-OE1 3.1Å |
| 767 | A | 75.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 83.9 Ų | 83.9 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -94.7 | 21.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K763 I764 E1150 | K763-A767 WeakPolarHBondContact O-CB 3.42Å; K763-A767 PolarHBondContact O-N 3.33Å; I764-A767 CarbonylContact O-C 3.58Å; A767-E1150 WeakPolarHBondContact CA-OE1 3.44Å; A767-E1150 PolarHBondContact N-OE1 3.14Å |
| 768 | R | 72.4 | Confident | 77.8 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -140 | 33.2 | 153 | -85.4 | 144.6 | -165.9 | 72.8 | 7.2 | 113.2 | I764 T765 A766 E1149 E1150 G1151 | I764-R768 WeakPolarHBondContact O-CB 3.42Å; I764-R768 PolarHBondContact O-N 2.65Å; T765-R768 VanDerWaalsContact C-C 3.41Å; T765-R768 VanDerWaalsContact CA-CA 3.48Å; T765-R768 HydrophobicContact CG2-CB 4.11Å; T765-R768 CarbonylContact O-C 3.52Å; A766-R768 VanDerWaalsContact C-N 3.32Å; R768-E1149 HydrophobicContact CG-CB 4.3Å; R768-E1149 WeakPolarHBondContact CG-O 3.47Å; R768-E1149 IonicContact CZ-OE2 2.65Å; R768-E1149 IonicContact NH2-OE2 2.7Å; R768-E1149 PolarHBondContact NH2-OE2 3.44Å; R768-E1150 VanDerWaalsContact C-CA 3.43Å; R768-E1150 VanDerWaalsContact C-OE1 3.28Å; R768-E1150 VanDerWaalsContact CA-CB 3.48Å; R768-E1150 WeakPolarHBondContact CA-OE1 3.44Å; R768-E1150 HydrophobicContact CB-CB 4.4Å; R768-E1150 PolarHBondContact N-OE1 3.12Å; R768-E1150 CarbonylContact O-C 3.37Å; R768-E1150 WeakPolarHBondContact O-CA 3.34Å; R768-G1151 PolarHBondContact O-N 3.25Å |
| 769 | S | 72.9 | Confident | 77.4 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 37% | 0.371 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -95 | -47.2 | 169.3 | 59.8 | 0 | 0 | 0 | 0 | 118.7 | T765 A766 E1150 G1151 | T765-S769 WeakPolarHBondContact O-CA 3.24Å; T765-S769 WeakPolarHBondContact O-CB 3.5Å; T765-S769 PolarHBondContact O-N 3.12Å; A766-S769 WeakPolarHBondContact CA-OG 3.33Å; A766-S769 PolarHBondContact O-OG 2.92Å; S769-E1150 VanDerWaalsContact C-CB 3.43Å; S769-E1150 VanDerWaalsContact N-CB 3.35Å; S769-E1150 VanDerWaalsContact N-CD 3.29Å; S769-E1150 PolarHBondContact N-OE1 3.33Å; S769-G1151 WeakPolarHBondContact O-CA 3.31Å |
| 770 | F | 74.7 | Confident | 77 | Confident | 121 Ų | 121 | 85.1 Ų | 85.1 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -115.7 | -40 | -167.4 | 166.5 | -106.6 | 0 | 0 | 0 | 118.1 | E773 E1150 | F770-E773 WeakPolarHBondContact CD2-OE2 3.17Å; F770-E773 WeakPolarHBondContact O-CA 3.4Å; F770-E773 WeakPolarHBondContact O-CB 3.42Å; F770-E773 WeakPolarHBondContact O-CG 3.4Å; F770-E773 PolarHBondContact O-N 2.84Å; F770-E1150 WeakPolarHBondContact CA-OE2 3.46Å; F770-E1150 WeakPolarHBondContact CB-OE2 3.49Å; F770-E1150 PolarHBondContact N-OE1 3.46Å; F770-E1150 PolarHBondContact N-OE2 2.74Å |
| 771 | I | 77.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.267 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 10.4 | -164.9 | -143.9 | 161.4 | 0 | 0 | 0 | 117.8 | E774 N1148 E1150 | I771-E774 HydrophobicContact CG1-CG 3.68Å; I771-E774 WeakPolarHBondContact CG1-OE1 3.41Å; I771-E774 WeakPolarHBondContact CG1-OE2 3.03Å; I771-E774 VanDerWaalsContact O-CB 3.32Å; I771-E774 WeakPolarHBondContact O-CB 3.22Å; I771-N1148 HydrophobicContact CB-CB 4.21Å; I771-N1148 HydrophobicContact CG1-CB 4.19Å; I771-N1148 HydrophobicContact CG2-CB 3.35Å; I771-N1148 WeakPolarHBondContact O-CB 3.3Å; I771-E1150 HydrophobicContact CB-CG 4.03Å; I771-E1150 WeakPolarHBondContact CB-OE2 3.3Å; I771-E1150 HydrophobicContact CG2-CG 3.51Å; I771-E1150 VanDerWaalsContact CG2-OE2 3.3Å; I771-E1150 WeakPolarHBondContact CG2-OE2 3.33Å; I771-E1150 PolarHBondContact N-OE2 3.44Å |
| 772 | Y | 73.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 89.9 Ų | 89.9 | 40% | 0.404 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 17.2 | 137 | 92.1 | 31.2 | 0 | 0 | 0 | 115.3 | E774 K775 L776 E1149 E1150 | Y772-E774 VanDerWaalsContact CA-N 3.32Å; Y772-E774 PolarHBondContact O-N 2.87Å; Y772-K775 HydrophobicContact CD2-CB 4.29Å; Y772-K775 HydrophobicContact CD2-CD 4.02Å; Y772-K775 HydrophobicContact CD2-CG 4.46Å; Y772-K775 HydrophobicContact CG-CB 4.15Å; Y772-K775 PolarHBondContact O-N 3.04Å; Y772-L776 WeakPolarHBondContact O-CA 3.47Å; Y772-L776 WeakPolarHBondContact O-CB 3.42Å; Y772-L776 PolarHBondContact O-N 2.95Å; Y772-E1149 HydrophobicContact CD2-CB 3.49Å; Y772-E1149 VanDerWaalsContact CD2-CB 3.49Å; Y772-E1149 HydrophobicContact CD2-CG 3.68Å; Y772-E1149 HydrophobicContact CE2-CB 3.85Å; Y772-E1149 HydrophobicContact CE2-CG 3.94Å; Y772-E1149 HydrophobicContact CG-CB 4.24Å; Y772-E1150 CarbonylContact C-O 3.57Å; Y772-E1150 WeakPolarHBondContact CA-O 3.35Å; Y772-E1150 VanDerWaalsContact CB-N 3.34Å; Y772-E1150 WeakPolarHBondContact CD1-O 3.49Å; Y772-E1150 VanDerWaalsContact N-CB 3.25Å; Y772-E1150 PolarHBondContact N-O 3.47Å |
| 773 | E | 77.5 | Confident | 77 | Confident | 65 Ų | 65 | 90 Ų | 90 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55.9 | -27.1 | 137.9 | -49.4 | 169.9 | -168.8 | 0 | 0 | 108.6 | F770 K777 E1150 | F770-E773 WeakPolarHBondContact CD2-OE2 3.17Å; F770-E773 WeakPolarHBondContact O-CA 3.4Å; F770-E773 WeakPolarHBondContact O-CB 3.42Å; F770-E773 WeakPolarHBondContact O-CG 3.4Å; F770-E773 PolarHBondContact O-N 2.84Å; E773-K777 HydrophobicContact CB-CD 4.29Å; E773-K777 WeakPolarHBondContact O-CA 3.46Å; E773-K777 WeakPolarHBondContact O-CB 3.35Å; E773-K777 WeakPolarHBondContact O-CD 3.35Å; E773-K777 WeakPolarHBondContact O-CG 3.3Å; E773-K777 PolarHBondContact O-N 3.24Å; E773-K777 IonicContact OE2-NZ 3.24Å; E773-K777 PolarHBondContact OE2-NZ 2.93Å; E773-E1150 PolarHBondContact N-O 3.33Å |
| 774 | E | 79.3 | Confident | 76.9 | Confident | 86 Ų | 86 | 85.9 Ų | 85.9 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.8 | -58 | 164.6 | -62.6 | -175.2 | 151 | 0 | 0 | 114.2 | I771 Y772 L776 K777 A778 N1148 | I771-E774 HydrophobicContact CG1-CG 3.68Å; I771-E774 WeakPolarHBondContact CG1-OE1 3.41Å; I771-E774 WeakPolarHBondContact CG1-OE2 3.03Å; I771-E774 VanDerWaalsContact O-CB 3.32Å; I771-E774 WeakPolarHBondContact O-CB 3.22Å; Y772-E774 VanDerWaalsContact CA-N 3.32Å; Y772-E774 PolarHBondContact O-N 2.87Å; E774-L776 VanDerWaalsContact C-N 3.31Å; E774-L776 PolarHBondContact O-N 3.31Å; E774-K777 PolarHBondContact O-N 3.39Å; E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.49Å; E774-A778 PolarHBondContact O-N 2.97Å; E774-N1148 PolarHBondContact OE2-ND2 3.46Å |
| 775 | K | 79.9 | Confident | 76.7 | Confident | 90 Ų | 90 | 87.9 Ų | 87.9 | 39% | 0.391 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71 | -24.5 | 179.9 | -53.7 | -179.8 | 173.5 | 146.4 | 0 | 113.2 | Y772 F779 N1148 E1149 | Y772-K775 HydrophobicContact CD2-CB 4.29Å; Y772-K775 HydrophobicContact CD2-CD 4.02Å; Y772-K775 HydrophobicContact CD2-CG 4.46Å; Y772-K775 HydrophobicContact CG-CB 4.15Å; Y772-K775 PolarHBondContact O-N 3.04Å; K775-F779 WeakPolarHBondContact O-CB 3.12Å; K775-F779 PolarHBondContact O-N 2.91Å; K775-N1148 WeakPolarHBondContact CD-O 3.26Å; K775-N1148 WeakPolarHBondContact CE-O 3.31Å; K775-N1148 PolarHBondContact NZ-O 3.12Å; K775-E1149 IonicContact NZ-OE1 3.72Å; K775-E1149 PolarHBondContact NZ-OE1 3.13Å |
| 776 | L | 77.1 | Confident | 76.7 | Confident | 73 Ų | 73 | 89.1 Ų | 89.1 | 38% | 0.382 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -74.3 | -45.1 | 173.6 | -169.5 | 148.2 | 0 | 0 | 0 | 110 | Y772 E774 A778 F779 E780 | Y772-L776 WeakPolarHBondContact O-CA 3.47Å; Y772-L776 WeakPolarHBondContact O-CB 3.42Å; Y772-L776 PolarHBondContact O-N 2.95Å; E774-L776 VanDerWaalsContact C-N 3.31Å; E774-L776 PolarHBondContact O-N 3.31Å; L776-A778 PolarHBondContact O-N 3.49Å; L776-F779 CarbonylContact O-C 3.58Å; L776-F779 PolarHBondContact O-N 3.33Å; L776-F779 VanDerWaalsContact O-N 3.13Å; L776-E780 HydrophobicContact CD2-CG 4.07Å; L776-E780 WeakPolarHBondContact O-CB 3.46Å; L776-E780 WeakPolarHBondContact O-CG 3.41Å; L776-E780 PolarHBondContact O-N 3.46Å |
| 777 | K | 81.8 | Confident | 76.6 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 41% | 0.409 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 168.5 | -71.5 | 158.4 | -165 | 155.7 | 0 | 110.4 | E773 E774 F779 E780 E781 | E773-K777 HydrophobicContact CB-CD 4.29Å; E773-K777 WeakPolarHBondContact O-CA 3.46Å; E773-K777 WeakPolarHBondContact O-CB 3.35Å; E773-K777 WeakPolarHBondContact O-CD 3.35Å; E773-K777 WeakPolarHBondContact O-CG 3.3Å; E773-K777 PolarHBondContact O-N 3.24Å; E773-K777 IonicContact OE2-NZ 3.24Å; E773-K777 PolarHBondContact OE2-NZ 2.93Å; E774-K777 PolarHBondContact O-N 3.39Å; K777-F779 VanDerWaalsContact C-N 3.27Å; K777-F779 PolarHBondContact O-N 3.4Å; K777-E780 PolarHBondContact O-N 3Å; K777-E781 WeakPolarHBondContact O-CB 3.34Å; K777-E781 VanDerWaalsContact O-CG 3.27Å; K777-E781 WeakPolarHBondContact O-CG 3.16Å; K777-E781 PolarHBondContact O-N 3.3Å |
| 778 | A | 81 | Confident | 76.7 | Confident | 37 Ų | 37 | 96.6 Ų | 96.6 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.3 | -24.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | E774 L776 R782 | E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.49Å; E774-A778 PolarHBondContact O-N 2.97Å; L776-A778 PolarHBondContact O-N 3.49Å; A778-R782 WeakPolarHBondContact O-CD 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.1Å; A778-R782 PolarHBondContact O-N 3.46Å |
| 779 | F | 71.8 | Confident | 77 | Confident | 129 Ų | 129 | 97.3 Ų | 97.3 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -79.2 | -42.2 | 171.9 | -179.9 | -105.4 | 0 | 0 | 0 | 111.2 | K775 L776 K777 R782 L783 | K775-F779 WeakPolarHBondContact O-CB 3.12Å; K775-F779 PolarHBondContact O-N 2.91Å; L776-F779 CarbonylContact O-C 3.58Å; L776-F779 PolarHBondContact O-N 3.33Å; L776-F779 VanDerWaalsContact O-N 3.13Å; K777-F779 VanDerWaalsContact C-N 3.27Å; K777-F779 PolarHBondContact O-N 3.4Å; F779-R782 PolarHBondContact O-N 3.47Å; F779-L783 HydrophobicContact CD1-CD1 4.36Å; F779-L783 HydrophobicContact CE1-CD1 3.71Å; F779-L783 HydrophobicContact CZ-CD1 4.08Å; F779-L783 VanDerWaalsContact O-CB 3.26Å; F779-L783 WeakPolarHBondContact O-CB 3.48Å; F779-L783 PolarHBondContact O-N 3.3Å |
| 780 | E | 75.9 | Confident | 76.9 | Confident | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 173.9 | -73.5 | -175 | 146.4 | 0 | 0 | 111.9 | L776 K777 L783 V784 | L776-E780 HydrophobicContact CD2-CG 4.07Å; L776-E780 WeakPolarHBondContact O-CB 3.46Å; L776-E780 WeakPolarHBondContact O-CG 3.41Å; L776-E780 PolarHBondContact O-N 3.46Å; K777-E780 PolarHBondContact O-N 3Å; E780-L783 CarbonylContact O-C 3.59Å; E780-L783 PolarHBondContact O-N 3.44Å; E780-V784 WeakPolarHBondContact O-CB 3.44Å; E780-V784 VanDerWaalsContact O-CG2 3.28Å; E780-V784 WeakPolarHBondContact O-CG2 3.46Å; E780-V784 PolarHBondContact O-N 3.17Å |
| 781 | E | 81.8 | Confident | 76.5 | Confident | 128 Ų | 128 | 99.8 Ų | 99.8 | 60% | 0.598 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.5 | -51.6 | 171.1 | -76.4 | 171.8 | 165.9 | 0 | 0 | 110.8 | K777 L783 V784 E785 | K777-E781 WeakPolarHBondContact O-CB 3.34Å; K777-E781 VanDerWaalsContact O-CG 3.27Å; K777-E781 WeakPolarHBondContact O-CG 3.16Å; K777-E781 PolarHBondContact O-N 3.3Å; E781-L783 VanDerWaalsContact C-N 3.31Å; E781-L783 PolarHBondContact O-N 3.47Å; E781-V784 CarbonylContact O-C 3.5Å; E781-V784 PolarHBondContact O-N 3.33Å; E781-E785 WeakPolarHBondContact O-CG 3.47Å; E781-E785 PolarHBondContact O-N 2.65Å |
| 782 | R | 79.1 | Confident | 76.2 | Confident | 178 Ų | 178 | 102.9 Ų | 102.9 | 67% | 0.672 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.5 | -37.7 | 174.6 | -72.8 | 171 | -173.2 | -165.1 | 2.2 | 112.8 | A778 F779 E785 E786 | A778-R782 WeakPolarHBondContact O-CD 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.1Å; A778-R782 PolarHBondContact O-N 3.46Å; F779-R782 PolarHBondContact O-N 3.47Å; R782-E785 PolarHBondContact O-N 2.85Å; R782-E786 WeakPolarHBondContact O-CB 3.17Å; R782-E786 PolarHBondContact O-N 2.81Å |
| 783 | L | 73.1 | Confident | 76.1 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.7 | -33.5 | 178.8 | -152.1 | 164.7 | 0 | 0 | 0 | 110.7 | F779 E780 E781 R787 | F779-L783 HydrophobicContact CD1-CD1 4.36Å; F779-L783 HydrophobicContact CE1-CD1 3.71Å; F779-L783 HydrophobicContact CZ-CD1 4.08Å; F779-L783 VanDerWaalsContact O-CB 3.26Å; F779-L783 WeakPolarHBondContact O-CB 3.48Å; F779-L783 PolarHBondContact O-N 3.3Å; E780-L783 CarbonylContact O-C 3.59Å; E780-L783 PolarHBondContact O-N 3.44Å; E781-L783 VanDerWaalsContact C-N 3.31Å; E781-L783 PolarHBondContact O-N 3.47Å; L783-R787 HydrophobicContact CD2-CG 4.05Å; L783-R787 VanDerWaalsContact O-CB 3.24Å; L783-R787 WeakPolarHBondContact O-CB 3.22Å; L783-R787 WeakPolarHBondContact O-CG 3.3Å; L783-R787 PolarHBondContact O-N 3.39Å |
| 784 | V | 79.5 | Confident | 75.8 | Confident | 68 Ų | 68 | 106.4 Ų | 106.4 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 170.1 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | E780 E781 R787 K788 | E780-V784 WeakPolarHBondContact O-CB 3.44Å; E780-V784 VanDerWaalsContact O-CG2 3.28Å; E780-V784 WeakPolarHBondContact O-CG2 3.46Å; E780-V784 PolarHBondContact O-N 3.17Å; E781-V784 CarbonylContact O-C 3.5Å; E781-V784 PolarHBondContact O-N 3.33Å; V784-R787 PolarHBondContact O-N 3.47Å; V784-K788 HydrophobicContact CG1-CD 4.29Å; V784-K788 WeakPolarHBondContact O-CB 3.12Å; V784-K788 VanDerWaalsContact O-CG 3.27Å; V784-K788 WeakPolarHBondContact O-CG 2.95Å; V784-K788 PolarHBondContact O-N 3.14Å |
| 785 | E | 76.9 | Confident | 75.6 | Confident | 108 Ų | 108 | 108.6 Ų | 108.6 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 172.6 | -73.7 | -174.9 | 165.6 | 0 | 0 | 112.3 | E781 R782 K788 K789 | E781-E785 WeakPolarHBondContact O-CG 3.47Å; E781-E785 PolarHBondContact O-N 2.65Å; R782-E785 PolarHBondContact O-N 2.85Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 3.22Å; E785-K789 WeakPolarHBondContact O-CG 3.23Å; E785-K789 PolarHBondContact O-N 3.01Å |
| 786 | E | 73.1 | Confident | 75.3 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.6 | -34.1 | 178.3 | -156.4 | -150.4 | -109.8 | 0 | 0 | 111.7 | R782 K789 R790 | R782-E786 WeakPolarHBondContact O-CB 3.17Å; R782-E786 PolarHBondContact O-N 2.81Å; E786-K789 PolarHBondContact O-N 2.76Å; E786-R790 WeakPolarHBondContact O-CB 3.45Å; E786-R790 PolarHBondContact O-N 2.85Å; E786-R790 IonicContact OE2-CZ 3.77Å; E786-R790 IonicContact OE2-NE 2.98Å; E786-R790 PolarHBondContact OE2-NE 2.93Å; E786-R790 IonicContact OE2-NH2 2.69Å; E786-R790 PolarHBondContact OE2-NH2 3.45Å |
| 787 | R | 74.3 | Confident | 74.7 | Confident | 156 Ų | 156 | 109.5 Ų | 109.5 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 167.9 | -79.9 | 173.2 | 179.4 | -176.9 | 5.9 | 112.2 | L783 V784 M791 | L783-R787 HydrophobicContact CD2-CG 4.05Å; L783-R787 VanDerWaalsContact O-CB 3.24Å; L783-R787 WeakPolarHBondContact O-CB 3.22Å; L783-R787 WeakPolarHBondContact O-CG 3.3Å; L783-R787 PolarHBondContact O-N 3.39Å; V784-R787 PolarHBondContact O-N 3.47Å; R787-M791 VanDerWaalsContact O-CB 3.26Å; R787-M791 WeakPolarHBondContact O-CB 3.31Å; R787-M791 WeakPolarHBondContact O-CG 3.44Å; R787-M791 PolarHBondContact O-N 3Å |
| 788 | K | 79.3 | Confident | 74.4 | Confident | 123 Ų | 123 | 113 Ų | 113 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 173.4 | -75.8 | 166.2 | -178 | 172.9 | 0 | 110.4 | V784 E785 R790 M791 E792 | V784-K788 HydrophobicContact CG1-CD 4.29Å; V784-K788 WeakPolarHBondContact O-CB 3.12Å; V784-K788 VanDerWaalsContact O-CG 3.27Å; V784-K788 WeakPolarHBondContact O-CG 2.95Å; V784-K788 PolarHBondContact O-N 3.14Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 3.22Å; K788-R790 PolarHBondContact O-N 2.95Å; K788-M791 CarbonylContact O-C 3.6Å; K788-M791 WeakPolarHBondContact O-CA 3.4Å; K788-M791 WeakPolarHBondContact O-CB 3.4Å; K788-M791 PolarHBondContact O-N 3.49Å; K788-E792 WeakPolarHBondContact O-CG 3.44Å; K788-E792 PolarHBondContact O-N 3.44Å |
| 789 | K | 77.7 | Confident | 74 | Confident | 119 Ų | 119 | 118.8 Ų | 118.8 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.7 | -52.3 | 175.5 | -71.5 | 173 | -179.5 | 171.7 | 0 | 112 | E785 E786 M791 E792 E793 | E785-K789 WeakPolarHBondContact O-CG 3.23Å; E785-K789 PolarHBondContact O-N 3.01Å; E786-K789 PolarHBondContact O-N 2.76Å; K789-M791 PolarHBondContact O-N 3.46Å; K789-E792 CarbonylContact O-C 3.07Å; K789-E792 WeakPolarHBondContact O-CA 3.46Å; K789-E792 PolarHBondContact O-N 3.01Å; K789-E793 WeakPolarHBondContact O-CG 3.44Å; K789-E793 PolarHBondContact O-N 2.93Å |
| 790 | R | 71 | Confident | 73.8 | Confident | 125 Ų | 125 | 118.2 Ų | 118.2 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -26 | 175.8 | -72.8 | -164.5 | -87.3 | 159.5 | -10.5 | 113.8 | E786 K788 E793 R794 | E786-R790 WeakPolarHBondContact O-CB 3.45Å; E786-R790 PolarHBondContact O-N 2.85Å; E786-R790 IonicContact OE2-CZ 3.77Å; E786-R790 IonicContact OE2-NE 2.98Å; E786-R790 PolarHBondContact OE2-NE 2.93Å; E786-R790 IonicContact OE2-NH2 2.69Å; E786-R790 PolarHBondContact OE2-NH2 3.45Å; K788-R790 PolarHBondContact O-N 2.95Å; R790-E793 WeakPolarHBondContact CA-OE2 3.39Å; R790-R794 WeakPolarHBondContact O-CB 3.2Å; R790-R794 WeakPolarHBondContact O-CD 3.17Å; R790-R794 WeakPolarHBondContact O-CG 3.34Å; R790-R794 PolarHBondContact O-N 2.97Å; R790-R794 VanDerWaalsContact O-N 3.11Å |
| 791 | M | 65.4 | Low | 73.2 | Confident | 101 Ų | 101 | 117.5 Ų | 117.5 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -80.8 | -24.8 | 172.3 | -77.5 | -70.6 | -75.6 | 0 | 0 | 113.4 | R787 K788 K789 K795 | R787-M791 VanDerWaalsContact O-CB 3.26Å; R787-M791 WeakPolarHBondContact O-CB 3.31Å; R787-M791 WeakPolarHBondContact O-CG 3.44Å; R787-M791 PolarHBondContact O-N 3Å; K788-M791 CarbonylContact O-C 3.6Å; K788-M791 WeakPolarHBondContact O-CA 3.4Å; K788-M791 WeakPolarHBondContact O-CB 3.4Å; K788-M791 PolarHBondContact O-N 3.49Å; K789-M791 PolarHBondContact O-N 3.46Å; M791-K795 WeakPolarHBondContact O-CD 3.44Å; M791-K795 WeakPolarHBondContact O-CG 3.36Å; M791-K795 PolarHBondContact O-N 3.48Å |
| 792 | E | 72.4 | Confident | 72.8 | Confident | 116 Ų | 116 | 120.3 Ų | 120.3 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.6 | -42 | 172.9 | -73.9 | 170.3 | 172.1 | 0 | 0 | 111.1 | K788 K789 R794 K795 T796 | K788-E792 WeakPolarHBondContact O-CG 3.44Å; K788-E792 PolarHBondContact O-N 3.44Å; K789-E792 CarbonylContact O-C 3.07Å; K789-E792 WeakPolarHBondContact O-CA 3.46Å; K789-E792 PolarHBondContact O-N 3.01Å; E792-R794 PolarHBondContact O-N 3.14Å; E792-K795 CarbonylContact O-C 3.52Å; E792-K795 WeakPolarHBondContact O-CA 3.42Å; E792-K795 WeakPolarHBondContact O-CB 3.37Å; E792-K795 PolarHBondContact O-N 3.29Å; E792-T796 PolarHBondContact O-N 2.95Å; E792-T796 PolarHBondContact O-OG1 3.38Å |
| 793 | E | 70.6 | Confident | 72.4 | Confident | 101 Ų | 101 | 120 Ų | 120 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 168.6 | -69.3 | 162.3 | -179.5 | 0 | 0 | 111.4 | K789 R790 K795 T796 Q797 | K789-E793 WeakPolarHBondContact O-CG 3.44Å; K789-E793 PolarHBondContact O-N 2.93Å; R790-E793 WeakPolarHBondContact CA-OE2 3.39Å; E793-K795 PolarHBondContact O-N 3.39Å; E793-T796 WeakPolarHBondContact CA-OG1 3.47Å; E793-T796 PolarHBondContact O-N 2.88Å; E793-T796 PolarHBondContact O-OG1 2.64Å; E793-Q797 WeakPolarHBondContact O-CB 3.38Å; E793-Q797 VanDerWaalsContact O-CG 3.29Å; E793-Q797 WeakPolarHBondContact O-CG 3.43Å; E793-Q797 PolarHBondContact O-N 2.93Å |
| 794 | R | 71.3 | Confident | 72.1 | Confident | 142 Ų | 142 | 121.4 Ų | 121.4 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -23.6 | 171.9 | -75.9 | 170.4 | 178.8 | -167.5 | -2 | 113.3 | R790 E792 R798 | R790-R794 WeakPolarHBondContact O-CB 3.2Å; R790-R794 WeakPolarHBondContact O-CD 3.17Å; R790-R794 WeakPolarHBondContact O-CG 3.34Å; R790-R794 PolarHBondContact O-N 2.97Å; R790-R794 VanDerWaalsContact O-N 3.11Å; E792-R794 PolarHBondContact O-N 3.14Å; R794-R798 WeakPolarHBondContact O-CB 3.46Å; R794-R798 VanDerWaalsContact O-CD 3.31Å; R794-R798 WeakPolarHBondContact O-CD 3.4Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-N 3.45Å; R794-R798 VanDerWaalsContact O-N 3.17Å |
| 795 | K | 75.8 | Confident | 71.4 | Confident | 131 Ų | 131 | 121.4 Ų | 121.4 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -82.4 | -32.6 | 174.2 | -77.9 | 166.3 | -177.3 | 174.6 | 0 | 112.1 | M791 E792 E793 K799 | M791-K795 WeakPolarHBondContact O-CD 3.44Å; M791-K795 WeakPolarHBondContact O-CG 3.36Å; M791-K795 PolarHBondContact O-N 3.48Å; E792-K795 CarbonylContact O-C 3.52Å; E792-K795 WeakPolarHBondContact O-CA 3.42Å; E792-K795 WeakPolarHBondContact O-CB 3.37Å; E792-K795 PolarHBondContact O-N 3.29Å; E793-K795 PolarHBondContact O-N 3.39Å; K795-K799 WeakPolarHBondContact O-CG 3.49Å; K795-K799 PolarHBondContact O-N 3.21Å |
| 796 | T | 72.1 | Confident | 71.2 | Confident | 74 Ų | 74 | 122.3 Ų | 122.3 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73 | -49 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | E792 E793 R798 K799 E800 | E792-T796 PolarHBondContact O-N 2.95Å; E792-T796 PolarHBondContact O-OG1 3.38Å; E793-T796 WeakPolarHBondContact CA-OG1 3.47Å; E793-T796 PolarHBondContact O-N 2.88Å; E793-T796 PolarHBondContact O-OG1 2.64Å; T796-R798 PolarHBondContact O-N 3.33Å; T796-K799 WeakPolarHBondContact O-CA 3.32Å; T796-K799 WeakPolarHBondContact O-CB 3.41Å; T796-K799 PolarHBondContact O-N 3.39Å; T796-E800 PolarHBondContact O-N 2.95Å |
| 797 | Q | 65.9 | Low | 70.9 | Confident | 108 Ų | 108 | 123.8 Ų | 123.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -53 | -51.4 | 173.1 | -72.2 | 171.4 | -11.4 | 0 | 0 | 111.1 | E793 K799 E800 D801 | E793-Q797 WeakPolarHBondContact O-CB 3.38Å; E793-Q797 VanDerWaalsContact O-CG 3.29Å; E793-Q797 WeakPolarHBondContact O-CG 3.43Å; E793-Q797 PolarHBondContact O-N 2.93Å; Q797-K799 PolarHBondContact O-N 3.05Å; Q797-K799 VanDerWaalsContact O-N 3.09Å; Q797-E800 CarbonylContact O-C 3.46Å; Q797-E800 PolarHBondContact O-N 3.41Å; Q797-D801 WeakPolarHBondContact O-CB 3.39Å; Q797-D801 VanDerWaalsContact O-CG 3.25Å; Q797-D801 PolarHBondContact O-N 3.35Å |
| 798 | R | 73.9 | Confident | 70.4 | Confident | 169 Ų | 169 | 124 Ų | 124 | 64% | 0.638 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -18.7 | 175.7 | -75.2 | 173.4 | 177.6 | -170.8 | -1.8 | 115 | R794 T796 R802 | R794-R798 WeakPolarHBondContact O-CB 3.46Å; R794-R798 VanDerWaalsContact O-CD 3.31Å; R794-R798 WeakPolarHBondContact O-CD 3.4Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-N 3.45Å; R794-R798 VanDerWaalsContact O-N 3.17Å; T796-R798 PolarHBondContact O-N 3.33Å; R798-R802 WeakPolarHBondContact O-CB 3.44Å; R798-R802 WeakPolarHBondContact O-CD 3.36Å; R798-R802 WeakPolarHBondContact O-CG 3.09Å; R798-R802 PolarHBondContact O-N 3.16Å |
| 799 | K | 72.8 | Confident | 69.7 | Low | 158 Ų | 158 | 123.3 Ų | 123.3 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.4 | -40.7 | 171 | -79.7 | 176.1 | 175.8 | -176 | 0 | 111.2 | K795 T796 Q797 R803 | K795-K799 WeakPolarHBondContact O-CG 3.49Å; K795-K799 PolarHBondContact O-N 3.21Å; T796-K799 WeakPolarHBondContact O-CA 3.32Å; T796-K799 WeakPolarHBondContact O-CB 3.41Å; T796-K799 PolarHBondContact O-N 3.39Å; Q797-K799 PolarHBondContact O-N 3.05Å; Q797-K799 VanDerWaalsContact O-N 3.09Å; K799-R803 PolarHBondContact O-N 3.07Å; K799-R803 VanDerWaalsContact O-N 3.11Å |
| 800 | E | 67.3 | Low | 69.1 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.7 | -45.1 | 177.8 | -68.4 | 173.9 | 155.8 | 0 | 0 | 111.2 | T796 Q797 R802 R803 N804 | T796-E800 PolarHBondContact O-N 2.95Å; Q797-E800 CarbonylContact O-C 3.46Å; Q797-E800 PolarHBondContact O-N 3.41Å; E800-R802 PolarHBondContact O-N 2.81Å; E800-R803 CarbonylContact O-C 3.45Å; E800-R803 WeakPolarHBondContact O-CA 3.39Å; E800-R803 VanDerWaalsContact O-CB 3.29Å; E800-R803 WeakPolarHBondContact O-CB 3.33Å; E800-R803 PolarHBondContact O-N 2.75Å; E800-N804 WeakPolarHBondContact O-CB 3.42Å; E800-N804 VanDerWaalsContact O-CG 3.25Å; E800-N804 PolarHBondContact O-N 2.92Å; E800-N804 PolarHBondContact O-ND2 2.93Å |
| 801 | D | 64.1 | Low | 68.6 | Low | 93 Ų | 93 | 123.9 Ų | 123.9 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -53.5 | -50.1 | 170.8 | -70.3 | -33.6 | 0 | 0 | 0 | 111.1 | Q797 R803 N804 T805 | Q797-D801 WeakPolarHBondContact O-CB 3.39Å; Q797-D801 VanDerWaalsContact O-CG 3.25Å; Q797-D801 PolarHBondContact O-N 3.35Å; D801-R803 PolarHBondContact O-N 3.03Å; D801-N804 CarbonylContact O-C 2.8Å; D801-N804 PolarHBondContact O-N 3.37Å; D801-N804 VanDerWaalsContact O-N 3.13Å; D801-T805 WeakPolarHBondContact O-CG2 3.17Å; D801-T805 PolarHBondContact O-N 3.25Å; D801-T805 PolarHBondContact O-OG1 2.89Å |
| 802 | R | 73.3 | Confident | 68.5 | Low | 188 Ų | 188 | 123.6 Ų | 123.6 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.7 | -33.4 | 177.1 | -77.8 | 173.4 | -173.8 | -158.1 | -1.9 | 113 | R798 E800 T805 F806 | R798-R802 WeakPolarHBondContact O-CB 3.44Å; R798-R802 WeakPolarHBondContact O-CD 3.36Å; R798-R802 WeakPolarHBondContact O-CG 3.09Å; R798-R802 PolarHBondContact O-N 3.16Å; E800-R802 PolarHBondContact O-N 2.81Å; R802-T805 WeakPolarHBondContact CA-OG1 3.25Å; R802-T805 PolarHBondContact O-OG1 3.29Å; R802-F806 WeakPolarHBondContact O-CB 3.4Å; R802-F806 PolarHBondContact O-N 3.43Å; R802-F806 VanDerWaalsContact O-N 3.13Å |
| 803 | R | 70.1 | Confident | 68 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.8 | -44.5 | 175.7 | -145.3 | 178.5 | -174.5 | -172.8 | 0.3 | 110.2 | K799 E800 D801 F806 Y807 | K799-R803 PolarHBondContact O-N 3.07Å; K799-R803 VanDerWaalsContact O-N 3.11Å; E800-R803 CarbonylContact O-C 3.45Å; E800-R803 WeakPolarHBondContact O-CA 3.39Å; E800-R803 VanDerWaalsContact O-CB 3.29Å; E800-R803 WeakPolarHBondContact O-CB 3.33Å; E800-R803 PolarHBondContact O-N 2.75Å; D801-R803 PolarHBondContact O-N 3.03Å; R803-F806 PolarHBondContact O-N 3Å; R803-Y807 HydrophobicContact CG-CE2 4.08Å; R803-Y807 WeakPolarHBondContact O-CD2 3.37Å; R803-Y807 PolarHBondContact O-N 3.5Å; R803-Y807 VanDerWaalsContact O-N 3.11Å |
| 804 | N | 66.8 | Low | 67.7 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70 | -38 | 179.4 | -66.4 | -19.6 | 0 | 0 | 0 | 112.5 | E800 D801 Y807 R808 | E800-N804 WeakPolarHBondContact O-CB 3.42Å; E800-N804 VanDerWaalsContact O-CG 3.25Å; E800-N804 PolarHBondContact O-N 2.92Å; E800-N804 PolarHBondContact O-ND2 2.93Å; D801-N804 CarbonylContact O-C 2.8Å; D801-N804 PolarHBondContact O-N 3.37Å; D801-N804 VanDerWaalsContact O-N 3.13Å; N804-Y807 PolarHBondContact O-N 2.86Å; N804-R808 WeakPolarHBondContact O-CB 3.48Å; N804-R808 WeakPolarHBondContact O-CG 3.41Å; N804-R808 PolarHBondContact O-N 3.03Å |
| 805 | T | 64.9 | Low | 66.9 | Low | 67 Ų | 67 | 121 Ų | 121 | 41% | 0.411 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | D801 R802 R808 Q809 | D801-T805 WeakPolarHBondContact O-CG2 3.17Å; D801-T805 PolarHBondContact O-N 3.25Å; D801-T805 PolarHBondContact O-OG1 2.89Å; R802-T805 WeakPolarHBondContact CA-OG1 3.25Å; R802-T805 PolarHBondContact O-OG1 3.29Å; T805-R808 PolarHBondContact O-N 3.35Å; T805-Q809 VanDerWaalsContact O-CB 3.27Å; T805-Q809 WeakPolarHBondContact O-CB 3.45Å; T805-Q809 VanDerWaalsContact O-CG 3.23Å; T805-Q809 WeakPolarHBondContact O-CG 3.49Å; T805-Q809 PolarHBondContact O-N 3.05Å |
| 806 | F | 73.4 | Confident | 66.3 | Low | 127 Ų | 127 | 121 Ų | 121 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 174.3 | 177.7 | -99.9 | 0 | 0 | 0 | 112 | R802 R803 K810 | R802-F806 WeakPolarHBondContact O-CB 3.4Å; R802-F806 PolarHBondContact O-N 3.43Å; R802-F806 VanDerWaalsContact O-N 3.13Å; R803-F806 PolarHBondContact O-N 3Å; F806-K810 WeakPolarHBondContact O-CB 3.37Å; F806-K810 PolarHBondContact O-N 3.42Å |
| 807 | Y | 67.1 | Low | 65.8 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 50% | 0.502 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -47.1 | 173.6 | -72.7 | -62 | 0 | 0 | 0 | 112 | R803 N804 Q809 K810 E811 | R803-Y807 HydrophobicContact CG-CE2 4.08Å; R803-Y807 WeakPolarHBondContact O-CD2 3.37Å; R803-Y807 PolarHBondContact O-N 3.5Å; R803-Y807 VanDerWaalsContact O-N 3.11Å; N804-Y807 PolarHBondContact O-N 2.86Å; Y807-Q809 PolarHBondContact O-N 3.27Å; Y807-K810 WeakPolarHBondContact O-CB 3.23Å; Y807-K810 PolarHBondContact O-N 3.33Å; Y807-E811 PolarHBondContact O-N 3.32Å |
| 808 | R | 62.9 | Low | 65.3 | Low | 160 Ų | 160 | 123.1 Ų | 123.1 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.8 | -43.5 | 177.6 | -74 | 179.9 | -175.8 | 171.3 | 2.5 | 113.3 | N804 T805 K810 E811 E812 | N804-R808 WeakPolarHBondContact O-CB 3.48Å; N804-R808 WeakPolarHBondContact O-CG 3.41Å; N804-R808 PolarHBondContact O-N 3.03Å; T805-R808 PolarHBondContact O-N 3.35Å; R808-K810 PolarHBondContact O-N 2.96Å; R808-E811 CarbonylContact O-C 3.58Å; R808-E811 WeakPolarHBondContact O-CB 3.34Å; R808-E811 PolarHBondContact O-N 2.85Å; R808-E811 VanDerWaalsContact O-N 3.08Å; R808-E812 WeakPolarHBondContact O-CB 2.99Å; R808-E812 WeakPolarHBondContact O-CG 3.41Å; R808-E812 PolarHBondContact O-N 3.43Å |
| 809 | Q | 65.6 | Low | 64.5 | Low | 109 Ų | 109 | 121 Ų | 121 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -35.6 | 176.7 | -77 | 173.4 | -22.9 | 0 | 0 | 111.8 | T805 Y807 E812 E813 | T805-Q809 VanDerWaalsContact O-CB 3.27Å; T805-Q809 WeakPolarHBondContact O-CB 3.45Å; T805-Q809 VanDerWaalsContact O-CG 3.23Å; T805-Q809 WeakPolarHBondContact O-CG 3.49Å; T805-Q809 PolarHBondContact O-N 3.05Å; Y807-Q809 PolarHBondContact O-N 3.27Å; Q809-E812 PolarHBondContact O-N 3.44Å; Q809-E813 WeakPolarHBondContact O-CG 3.33Å; Q809-E813 PolarHBondContact O-N 3.31Å |
| 810 | K | 65.2 | Low | 63.7 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.6 | -31.2 | 175.5 | -161.7 | 177.5 | -176.2 | -175.2 | 0 | 112.9 | F806 Y807 R808 A814 | F806-K810 WeakPolarHBondContact O-CB 3.37Å; F806-K810 PolarHBondContact O-N 3.42Å; Y807-K810 WeakPolarHBondContact O-CB 3.23Å; Y807-K810 PolarHBondContact O-N 3.33Å; R808-K810 PolarHBondContact O-N 2.96Å; K810-A814 PolarHBondContact O-N 2.61Å |
| 811 | E | 59.8 | Low | 63.1 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.9 | -41 | 171.2 | -68 | 172 | 155.6 | 0 | 0 | 111.5 | Y807 R808 E813 A814 Q815 | Y807-E811 PolarHBondContact O-N 3.32Å; R808-E811 CarbonylContact O-C 3.58Å; R808-E811 WeakPolarHBondContact O-CB 3.34Å; R808-E811 PolarHBondContact O-N 2.85Å; R808-E811 VanDerWaalsContact O-N 3.08Å; E811-E813 PolarHBondContact O-N 3.27Å; E811-A814 PolarHBondContact O-N 3.5Å; E811-Q815 WeakPolarHBondContact O-CB 3.49Å; E811-Q815 WeakPolarHBondContact O-CG 3.49Å; E811-Q815 PolarHBondContact O-N 3.34Å |
| 812 | E | 62.5 | Low | 62.5 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 176.3 | -72.9 | 169.3 | -177.3 | 0 | 0 | 113.2 | R808 Q809 R816 | R808-E812 WeakPolarHBondContact O-CB 2.99Å; R808-E812 WeakPolarHBondContact O-CG 3.41Å; R808-E812 PolarHBondContact O-N 3.43Å; Q809-E812 PolarHBondContact O-N 3.44Å; E812-R816 WeakPolarHBondContact O-CB 3.36Å; E812-R816 VanDerWaalsContact O-CG 3.27Å; E812-R816 WeakPolarHBondContact O-CG 3.34Å; E812-R816 PolarHBondContact O-N 2.85Å; E812-R816 PolarHBondContact O-NE 3.37Å |
| 813 | E | 63 | Low | 61.6 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.9 | -42.6 | 169.6 | -77.3 | -177.8 | 164.4 | 0 | 0 | 111.6 | Q809 E811 Q815 R816 I817 | Q809-E813 WeakPolarHBondContact O-CG 3.33Å; Q809-E813 PolarHBondContact O-N 3.31Å; E811-E813 PolarHBondContact O-N 3.27Å; E813-Q815 VanDerWaalsContact C-N 3.32Å; E813-Q815 PolarHBondContact O-N 3.01Å; E813-R816 PolarHBondContact O-N 2.98Å; E813-I817 WeakPolarHBondContact O-CG1 3.41Å; E813-I817 PolarHBondContact O-N 3.45Å |
| 814 | A | 63 | Low | 61 | Low | 65 Ų | 65 | 116.4 Ų | 116.4 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K810 E811 | K810-A814 PolarHBondContact O-N 2.61Å; E811-A814 PolarHBondContact O-N 3.5Å |
| 815 | Q | 55.3 | Low | 60.4 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.2 | -41.6 | 176.7 | -71.8 | 172.8 | 12.4 | 0 | 0 | 112.5 | E811 E813 I817 H818 E819 | E811-Q815 WeakPolarHBondContact O-CB 3.49Å; E811-Q815 WeakPolarHBondContact O-CG 3.49Å; E811-Q815 PolarHBondContact O-N 3.34Å; E813-Q815 VanDerWaalsContact C-N 3.32Å; E813-Q815 PolarHBondContact O-N 3.01Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 3.1Å; Q815-H818 WeakPolarHBondContact O-CA 3.39Å; Q815-H818 WeakPolarHBondContact O-CB 3.35Å; Q815-H818 PolarHBondContact O-N 3.06Å; Q815-E819 PolarHBondContact O-N 2.86Å |
| 816 | R | 62.7 | Low | 59.7 | Low | 130 Ų | 130 | 121.7 Ų | 121.7 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -35.6 | 178.1 | -79.5 | 177.2 | -70.8 | 161.1 | -1.7 | 113.4 | E812 E813 H818 E819 E820 | E812-R816 WeakPolarHBondContact O-CB 3.36Å; E812-R816 VanDerWaalsContact O-CG 3.27Å; E812-R816 WeakPolarHBondContact O-CG 3.34Å; E812-R816 PolarHBondContact O-N 2.85Å; E812-R816 PolarHBondContact O-NE 3.37Å; E813-R816 PolarHBondContact O-N 2.98Å; R816-H818 VanDerWaalsContact C-N 3.26Å; R816-H818 PolarHBondContact O-N 3.41Å; R816-E819 PolarHBondContact O-N 3.26Å; R816-E820 PolarHBondContact O-N 3.27Å |
| 817 | I | 61.8 | Low | 58.7 | Low | 108 Ų | 108 | 120.7 Ų | 120.7 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -34.7 | 173.3 | -67.7 | 166.8 | 0 | 0 | 0 | 111.3 | E813 Q815 | E813-I817 WeakPolarHBondContact O-CG1 3.41Å; E813-I817 PolarHBondContact O-N 3.45Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 3.1Å |
| 818 | H | 56.9 | Low | 58.1 | Low | 119 Ų | 119 | 121.4 Ų | 121.4 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.4 | -36.9 | 175.7 | -173 | -87.9 | 0 | 0 | 0 | 112.2 | Q815 R816 L822 | Q815-H818 WeakPolarHBondContact O-CA 3.39Å; Q815-H818 WeakPolarHBondContact O-CB 3.35Å; Q815-H818 PolarHBondContact O-N 3.06Å; R816-H818 VanDerWaalsContact C-N 3.26Å; R816-H818 PolarHBondContact O-N 3.41Å; H818-L822 PolarHBondContact O-N 3.25Å |
| 819 | E | 55.6 | Low | 57.7 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.5 | -35.2 | 176.9 | -70.5 | -168.4 | 145.7 | 0 | 0 | 113.7 | Q815 R816 Q821 L822 K823 | Q815-E819 PolarHBondContact O-N 2.86Å; R816-E819 PolarHBondContact O-N 3.26Å; E819-Q821 VanDerWaalsContact C-N 3.27Å; E819-Q821 PolarHBondContact O-N 2.84Å; E819-L822 PolarHBondContact O-N 3.42Å; E819-K823 PolarHBondContact O-N 2.86Å |
| 820 | E | 57 | Low | 57.1 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | 174.6 | -80.4 | -158.4 | 128.6 | 0 | 0 | 112.9 | R816 K824 | R816-E820 PolarHBondContact O-N 3.27Å; E820-K824 PolarHBondContact O-N 2.82Å |
| 821 | Q | 53.6 | Low | 56.7 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.3 | -47.2 | 173.8 | -67.2 | 179.5 | 3.5 | 0 | 0 | 110.6 | E819 K823 K824 | E819-Q821 VanDerWaalsContact C-N 3.27Å; E819-Q821 PolarHBondContact O-N 2.84Å; Q821-K823 VanDerWaalsContact C-N 3.29Å; Q821-K823 PolarHBondContact O-N 3.37Å; Q821-K824 PolarHBondContact O-N 3.35Å |
| 822 | L | 52.6 | Low | 56.5 | Low | 75 Ų | 75 | 122.7 Ų | 122.7 | 39% | 0.393 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -23.5 | 177.1 | -82.3 | 163.4 | 0 | 0 | 0 | 114.4 | H818 E819 R826 | H818-L822 PolarHBondContact O-N 3.25Å; E819-L822 PolarHBondContact O-N 3.42Å; L822-R826 WeakPolarHBondContact O-CG 3.43Å |
| 823 | K | 54.8 | Low | 56 | Low | 148 Ų | 148 | 123.3 Ų | 123.3 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.8 | -41.8 | 177.2 | -115.8 | 178.7 | 177.6 | 178.6 | 0 | 112.8 | E819 Q821 E825 R826 E827 | E819-K823 PolarHBondContact O-N 2.86Å; Q821-K823 VanDerWaalsContact C-N 3.29Å; Q821-K823 PolarHBondContact O-N 3.37Å; K823-E825 VanDerWaalsContact C-N 3.28Å; K823-E825 PolarHBondContact O-N 3.34Å; K823-R826 PolarHBondContact O-N 3.44Å; K823-E827 PolarHBondContact O-N 3.34Å; K823-E827 VanDerWaalsContact O-N 3.15Å |
| 824 | K | 57.3 | Low | 55.4 | Low | 142 Ų | 142 | 124 Ų | 124 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.8 | -37.8 | 177.6 | -70.8 | 173.6 | -179.3 | 170.8 | 0 | 111.7 | E820 Q821 R826 E827 E828 | E820-K824 PolarHBondContact O-N 2.82Å; Q821-K824 PolarHBondContact O-N 3.35Å; K824-R826 PolarHBondContact O-N 3.06Å; K824-E827 PolarHBondContact O-N 3.42Å; K824-E828 PolarHBondContact O-N 2.9Å |
| 825 | E | 53.7 | Low | 54.9 | Low | 99 Ų | 99 | 127.3 Ų | 127.3 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -10.7 | 175.5 | -146.8 | -155.5 | 141.8 | 0 | 0 | 114.3 | K823 R829 | K823-E825 VanDerWaalsContact C-N 3.28Å; K823-E825 PolarHBondContact O-N 3.34Å; E825-R829 WeakPolarHBondContact O-CD 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.41Å; E825-R829 PolarHBondContact O-NE 3.3Å; E825-R829 IonicContact OE1-CZ 2.97Å; E825-R829 IonicContact OE1-NE 2.8Å; E825-R829 IonicContact OE1-NH2 3.89Å; E825-R829 PolarHBondContact OE1-NH2 3.26Å |
| 826 | R | 50 | Low | 54.7 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 62% | 0.619 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -96.8 | -39.5 | 173.7 | -69.1 | -179.2 | -175.2 | -160.1 | 1.6 | 112.5 | L822 K823 K824 E828 R829 E830 | L822-R826 WeakPolarHBondContact O-CG 3.43Å; K823-R826 PolarHBondContact O-N 3.44Å; K824-R826 PolarHBondContact O-N 3.06Å; R826-E828 PolarHBondContact O-N 3.15Å; R826-R829 PolarHBondContact O-N 3.1Å; R826-E830 PolarHBondContact O-N 3.27Å |
| 827 | E | 52.2 | Low | 54.2 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.6 | -31.1 | 177.5 | -71.3 | -171.8 | 172.5 | 0 | 0 | 113.1 | K823 K824 R831 | K823-E827 PolarHBondContact O-N 3.34Å; K823-E827 VanDerWaalsContact O-N 3.15Å; K824-E827 PolarHBondContact O-N 3.42Å; E827-R831 WeakPolarHBondContact O-CG 3.43Å |
| 828 | E | 54.3 | Low | 53.6 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -29.7 | 173 | -68 | -170 | 145.4 | 0 | 0 | 113 | K824 R826 | K824-E828 PolarHBondContact O-N 2.9Å; R826-E828 PolarHBondContact O-N 3.15Å |
| 829 | R | 55 | Low | 53.6 | Low | 160 Ų | 160 | 130 Ų | 130 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79.7 | -38.5 | 179 | -61.2 | -179.7 | -171.1 | -141.5 | 5.3 | 112.2 | E825 R826 R831 L832 E833 | E825-R829 WeakPolarHBondContact O-CD 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.41Å; E825-R829 PolarHBondContact O-NE 3.3Å; E825-R829 IonicContact OE1-CZ 2.97Å; E825-R829 IonicContact OE1-NE 2.8Å; E825-R829 IonicContact OE1-NH2 3.89Å; E825-R829 PolarHBondContact OE1-NH2 3.26Å; R826-R829 PolarHBondContact O-N 3.1Å; R829-R831 VanDerWaalsContact C-N 3.32Å; R829-R831 PolarHBondContact O-N 2.99Å; R829-L832 PolarHBondContact O-N 2.97Å; R829-E833 PolarHBondContact O-N 3.2Å |
| 830 | E | 52.8 | Low | 53.6 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -30.4 | 179.7 | -71.6 | -178.7 | 168.7 | 0 | 0 | 112.7 | R826 E833 Q834 | R826-E830 PolarHBondContact O-N 3.27Å; E830-E833 PolarHBondContact O-N 2.97Å; E830-Q834 WeakPolarHBondContact O-CG 3.42Å; E830-Q834 PolarHBondContact O-N 2.64Å |
| 831 | R | 57 | Low | 53.3 | Low | 161 Ų | 161 | 129.7 Ų | 129.7 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 173.4 | -69.6 | 173.8 | -164.3 | -164 | 5.8 | 112.3 | E827 R829 E833 Q834 E835 | E827-R831 WeakPolarHBondContact O-CG 3.43Å; R829-R831 VanDerWaalsContact C-N 3.32Å; R829-R831 PolarHBondContact O-N 2.99Å; R831-E833 VanDerWaalsContact C-N 3.3Å; R831-E833 PolarHBondContact O-N 3.22Å; R831-Q834 PolarHBondContact O-N 2.95Å; R831-Q834 VanDerWaalsContact O-N 3.16Å; R831-E835 PolarHBondContact O-N 3.35Å |
| 832 | L | 54.9 | Low | 53.2 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.5 | -25.7 | 177.3 | -82.6 | 161.2 | 0 | 0 | 0 | 113.5 | R829 | R829-L832 PolarHBondContact O-N 2.97Å |
| 833 | E | 53.2 | Low | 53.4 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.9 | -27.1 | 170.6 | -86.9 | -152 | 93.4 | 0 | 0 | 113.6 | R829 E830 R831 R837 | R829-E833 PolarHBondContact O-N 3.2Å; E830-E833 PolarHBondContact O-N 2.97Å; R831-E833 VanDerWaalsContact C-N 3.3Å; R831-E833 PolarHBondContact O-N 3.22Å; E833-R837 WeakPolarHBondContact O-CG 3.2Å; E833-R837 IonicContact OE1-CZ 3.84Å; E833-R837 IonicContact OE1-NH2 2.85Å; E833-R837 PolarHBondContact OE1-NH2 3.35Å; E833-R837 IonicContact OE2-NH2 2.65Å |
| 834 | Q | 48.8 | Very low | 53.2 | Low | 130 Ų | 130 | 133 Ų | 133 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.8 | -44.6 | 178.7 | -73.6 | 177.9 | 2 | 0 | 0 | 111.9 | E830 R831 R836 R837 E838 | E830-Q834 WeakPolarHBondContact O-CG 3.42Å; E830-Q834 PolarHBondContact O-N 2.64Å; R831-Q834 PolarHBondContact O-N 2.95Å; R831-Q834 VanDerWaalsContact O-N 3.16Å; Q834-R836 VanDerWaalsContact C-N 3.31Å; Q834-R836 PolarHBondContact O-N 3.26Å; Q834-R837 PolarHBondContact O-N 3.08Å; Q834-R837 VanDerWaalsContact O-N 3.12Å; Q834-E838 PolarHBondContact O-N 3.29Å |
| 835 | E | 53.5 | Low | 52.7 | Low | 135 Ų | 135 | 130.4 Ų | 130.4 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.4 | -43.1 | 177.6 | -69.5 | -174.9 | 132.5 | 0 | 0 | 112 | R831 R837 E838 E839 | R831-E835 PolarHBondContact O-N 3.35Å; E835-R837 VanDerWaalsContact C-N 3.31Å; E835-R837 PolarHBondContact O-N 2.84Å; E835-E838 PolarHBondContact O-N 2.89Å; E835-E839 PolarHBondContact O-N 3.07Å |
| 836 | R | 51.5 | Low | 52.6 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -31.4 | 177.8 | -79.8 | -166.2 | 59.2 | -143 | -17.3 | 114.4 | Q834 E840 | Q834-R836 VanDerWaalsContact C-N 3.31Å; Q834-R836 PolarHBondContact O-N 3.26Å; R836-E840 IonicContact NH2-OE1 3.53Å; R836-E840 PolarHBondContact NH2-OE1 3.5Å; R836-E840 PolarHBondContact O-N 3.37Å |
| 837 | R | 51.2 | Low | 52.8 | Low | 148 Ų | 148 | 130.6 Ų | 130.6 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.7 | -32.5 | 179.4 | -68.2 | 177.9 | -166.2 | -179.7 | 9.5 | 111.8 | E833 Q834 E835 E839 E840 E841 | E833-R837 WeakPolarHBondContact O-CG 3.2Å; E833-R837 IonicContact OE1-CZ 3.84Å; E833-R837 IonicContact OE1-NH2 2.85Å; E833-R837 PolarHBondContact OE1-NH2 3.35Å; E833-R837 IonicContact OE2-NH2 2.65Å; Q834-R837 PolarHBondContact O-N 3.08Å; Q834-R837 VanDerWaalsContact O-N 3.12Å; E835-R837 VanDerWaalsContact C-N 3.31Å; E835-R837 PolarHBondContact O-N 2.84Å; R837-E839 VanDerWaalsContact C-N 3.32Å; R837-E839 PolarHBondContact O-N 2.92Å; R837-E840 PolarHBondContact O-N 3.14Å; R837-E841 PolarHBondContact O-N 3.44Å |
| 838 | E | 50.6 | Low | 52.6 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -33.7 | 172.2 | -73.7 | -160 | -154.8 | 0 | 0 | 112.7 | Q834 E835 R842 | Q834-E838 PolarHBondContact O-N 3.29Å; E835-E838 PolarHBondContact O-N 2.89Å; E838-R842 WeakPolarHBondContact O-CD 3.4Å; E838-R842 WeakPolarHBondContact O-CG 3.38Å; E838-R842 PolarHBondContact O-N 2.97Å; E838-R842 VanDerWaalsContact O-N 3.14Å; E838-R842 PolarHBondContact O-NE 3.27Å; E838-R842 IonicContact OE2-CZ 3.14Å; E838-R842 IonicContact OE2-NE 2.93Å; E838-R842 IonicContact OE2-NH2 2.64Å; E838-R842 PolarHBondContact OE2-NH2 3.32Å |
| 839 | E | 56.7 | Low | 52.2 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -43.4 | 176.2 | -66.1 | -169.1 | 135.6 | 0 | 0 | 112.6 | E835 R837 E841 R842 E843 | E835-E839 PolarHBondContact O-N 3.07Å; R837-E839 VanDerWaalsContact C-N 3.32Å; R837-E839 PolarHBondContact O-N 2.92Å; E839-E841 PolarHBondContact O-N 3.48Å; E839-R842 PolarHBondContact O-N 2.89Å; E839-E843 PolarHBondContact O-N 3.49Å; E839-E843 VanDerWaalsContact O-N 3.16Å |
| 840 | E | 54.3 | Low | 52.2 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -37.1 | 177.9 | -69.2 | 175.4 | -167.2 | 0 | 0 | 111.9 | R836 R837 Y844 | R836-E840 IonicContact NH2-OE1 3.53Å; R836-E840 PolarHBondContact NH2-OE1 3.5Å; R836-E840 PolarHBondContact O-N 3.37Å; R837-E840 PolarHBondContact O-N 3.14Å; E840-Y844 PolarHBondContact O-N 3.15Å |
| 841 | E | 51.1 | Low | 52 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.8 | -34.7 | 172.9 | -73 | -166.5 | 177.4 | 0 | 0 | 113.4 | R837 E839 Y844 Q845 | R837-E841 PolarHBondContact O-N 3.44Å; E839-E841 PolarHBondContact O-N 3.48Å; E841-Y844 PolarHBondContact O-N 3.37Å; E841-Q845 WeakPolarHBondContact O-CG 3.12Å; E841-Q845 PolarHBondContact O-N 2.95Å |
| 842 | R | 52.5 | Low | 51.4 | Low | 144 Ų | 144 | 125.5 Ų | 125.5 | 54% | 0.543 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -41.7 | 178.4 | -71.5 | 160.7 | -168.2 | -170 | 4 | 111.7 | E838 E839 Y844 Q845 E846 | E838-R842 WeakPolarHBondContact O-CD 3.4Å; E838-R842 WeakPolarHBondContact O-CG 3.38Å; E838-R842 PolarHBondContact O-N 2.97Å; E838-R842 VanDerWaalsContact O-N 3.14Å; E838-R842 PolarHBondContact O-NE 3.27Å; E838-R842 IonicContact OE2-CZ 3.14Å; E838-R842 IonicContact OE2-NE 2.93Å; E838-R842 IonicContact OE2-NH2 2.64Å; E838-R842 PolarHBondContact OE2-NH2 3.32Å; E839-R842 PolarHBondContact O-N 2.89Å; R842-Y844 VanDerWaalsContact C-N 3.33Å; R842-Y844 PolarHBondContact O-N 3.31Å; R842-Q845 PolarHBondContact O-N 3.06Å; R842-E846 PolarHBondContact O-N 2.86Å; R842-E846 VanDerWaalsContact O-N 3.07Å |
| 843 | E | 56.3 | Low | 51.2 | Low | 117 Ų | 117 | 125 Ų | 125 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 172.8 | -85.7 | -130.1 | 162.8 | 0 | 0 | 112.8 | E839 R847 | E839-E843 PolarHBondContact O-N 3.49Å; E839-E843 VanDerWaalsContact O-N 3.16Å; E843-R847 WeakPolarHBondContact O-CG 3.32Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE2-CZ 2.64Å; E843-R847 IonicContact OE2-NH2 2.71Å; E843-R847 PolarHBondContact OE2-NH2 3.34Å |
| 844 | Y | 51.1 | Low | 50.7 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.3 | -42.6 | 179 | -167.8 | -101.3 | 0 | 0 | 0 | 111.6 | E840 E841 R842 E846 R847 L848 | E840-Y844 PolarHBondContact O-N 3.15Å; E841-Y844 PolarHBondContact O-N 3.37Å; R842-Y844 VanDerWaalsContact C-N 3.33Å; R842-Y844 PolarHBondContact O-N 3.31Å; Y844-E846 PolarHBondContact O-N 2.61Å; Y844-R847 PolarHBondContact O-N 3.44Å; Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CE1-CD1 3.86Å; Y844-L848 PolarHBondContact O-N 3.41Å |
| 845 | Q | 45.8 | Very low | 50.7 | Low | 86 Ų | 86 | 125.1 Ų | 125.1 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -34.9 | 177 | -69.8 | -177.8 | 35 | 0 | 0 | 113.2 | E841 R842 R847 L848 R849 | E841-Q845 WeakPolarHBondContact O-CG 3.12Å; E841-Q845 PolarHBondContact O-N 2.95Å; R842-Q845 PolarHBondContact O-N 3.06Å; Q845-R847 VanDerWaalsContact C-N 3.32Å; Q845-R847 PolarHBondContact O-N 3.34Å; Q845-L848 PolarHBondContact O-N 3.1Å; Q845-R849 WeakPolarHBondContact O-CG 3.29Å; Q845-R849 PolarHBondContact O-N 3.28Å |
| 846 | E | 52.5 | Low | 50.4 | Low | 102 Ų | 102 | 126.5 Ų | 126.5 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 173.5 | -87.8 | -109.3 | 146.2 | 0 | 0 | 112.8 | R842 Y844 R849 K850 | R842-E846 PolarHBondContact O-N 2.86Å; R842-E846 VanDerWaalsContact O-N 3.07Å; Y844-E846 PolarHBondContact O-N 2.61Å; E846-R849 PolarHBondContact O-N 3.22Å; E846-K850 WeakPolarHBondContact O-CG 3.48Å; E846-K850 PolarHBondContact O-N 3.1Å; E846-K850 IonicContact OE2-NZ 3.17Å; E846-K850 PolarHBondContact OE2-NZ 3.41Å |
| 847 | R | 53.5 | Low | 50.4 | Low | 165 Ų | 165 | 125.1 Ų | 125.1 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.3 | -33.6 | -179.7 | -64.2 | 177.4 | -163.9 | -163.2 | 7.4 | 111.8 | E843 Y844 Q845 | E843-R847 WeakPolarHBondContact O-CG 3.32Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE2-CZ 2.64Å; E843-R847 IonicContact OE2-NH2 2.71Å; E843-R847 PolarHBondContact OE2-NH2 3.34Å; Y844-R847 PolarHBondContact O-N 3.44Å; Q845-R847 VanDerWaalsContact C-N 3.32Å; Q845-R847 PolarHBondContact O-N 3.34Å |
| 848 | L | 47.3 | Very low | 49.8 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -46.2 | 171.4 | -84.5 | 158.2 | 0 | 0 | 0 | 112.5 | Y844 Q845 K850 L851 E852 | Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CE1-CD1 3.86Å; Y844-L848 PolarHBondContact O-N 3.41Å; Q845-L848 PolarHBondContact O-N 3.1Å; L848-K850 VanDerWaalsContact C-N 3.27Å; L848-K850 PolarHBondContact O-N 3.07Å; L848-L851 PolarHBondContact O-N 3.31Å; L848-E852 PolarHBondContact O-N 3.48Å; L848-E852 VanDerWaalsContact O-N 3.1Å |
| 849 | R | 47.7 | Very low | 49.3 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -36.4 | -180 | -72.4 | 173.6 | -171 | 179.1 | 7.1 | 112.8 | Q845 E846 L851 E852 E853 | Q845-R849 WeakPolarHBondContact O-CG 3.29Å; Q845-R849 PolarHBondContact O-N 3.28Å; E846-R849 PolarHBondContact O-N 3.22Å; R849-L851 VanDerWaalsContact C-N 3.26Å; R849-L851 PolarHBondContact O-N 3.04Å; R849-E852 PolarHBondContact O-N 3.17Å; R849-E853 PolarHBondContact O-N 3Å |
| 850 | K | 54.8 | Low | 48.7 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -20.8 | 178.1 | -74.1 | 163 | -174.6 | 156.1 | 0 | 113.9 | E846 L848 | E846-K850 WeakPolarHBondContact O-CG 3.48Å; E846-K850 PolarHBondContact O-N 3.1Å; E846-K850 IonicContact OE2-NZ 3.17Å; E846-K850 PolarHBondContact OE2-NZ 3.41Å; L848-K850 VanDerWaalsContact C-N 3.27Å; L848-K850 PolarHBondContact O-N 3.07Å |
| 851 | L | 47.6 | Very low | 48.3 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.6 | -44.2 | 169.2 | -73.9 | 160.4 | 0 | 0 | 0 | 111.2 | L848 R849 E853 Q854 | L848-L851 PolarHBondContact O-N 3.31Å; R849-L851 VanDerWaalsContact C-N 3.26Å; R849-L851 PolarHBondContact O-N 3.04Å; L851-E853 VanDerWaalsContact C-N 3.27Å; L851-E853 PolarHBondContact O-N 3.16Å; L851-Q854 PolarHBondContact O-N 3.22Å |
| 852 | E | 45.6 | Very low | 48 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -32.6 | 179.6 | -158.3 | -167.2 | 162.6 | 0 | 0 | 112.8 | L848 R849 Q854 E855 R856 | L848-E852 PolarHBondContact O-N 3.48Å; L848-E852 VanDerWaalsContact O-N 3.1Å; R849-E852 PolarHBondContact O-N 3.17Å; E852-Q854 VanDerWaalsContact C-N 3.28Å; E852-Q854 PolarHBondContact O-N 3.37Å; E852-E855 PolarHBondContact O-N 3.21Å; E852-R856 PolarHBondContact O-N 3.22Å; E852-R856 IonicContact OE1-CZ 2.76Å; E852-R856 VanDerWaalsContact OE1-CZ 3.3Å; E852-R856 IonicContact OE1-NE 2.91Å; E852-R856 PolarHBondContact OE1-NE 3.34Å; E852-R856 IonicContact OE1-NH2 3.31Å; E852-R856 PolarHBondContact OE1-NH2 2.82Å |
| 853 | E | 48.8 | Very low | 47.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -25.4 | 179 | -151.4 | -158.5 | 140 | 0 | 0 | 113.6 | R849 L851 K857 | R849-E853 PolarHBondContact O-N 3Å; L851-E853 VanDerWaalsContact C-N 3.27Å; L851-E853 PolarHBondContact O-N 3.16Å; E853-K857 WeakPolarHBondContact O-CD 3.46Å; E853-K857 WeakPolarHBondContact O-CG 3.37Å; E853-K857 WeakPolarHBondContact OE1-CE 3.37Å; E853-K857 IonicContact OE1-NZ 3.91Å; E853-K857 PolarHBondContact OE1-NZ 3.01Å |
| 854 | Q | 44.4 | Very low | 46.6 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.5 | -37.5 | 173.9 | -64 | -169.1 | -2.9 | 0 | 0 | 111.3 | L851 E852 | L851-Q854 PolarHBondContact O-N 3.22Å; E852-Q854 VanDerWaalsContact C-N 3.28Å; E852-Q854 PolarHBondContact O-N 3.37Å |
| 855 | E | 47.9 | Very low | 46 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -79.2 | -38.1 | -178.2 | -144.5 | -165 | 145.8 | 0 | 0 | 112.8 | E852 K857 Q858 R859 | E852-E855 PolarHBondContact O-N 3.21Å; E855-K857 PolarHBondContact O-N 3.38Å; E855-Q858 PolarHBondContact O-N 2.93Å; E855-R859 PolarHBondContact O-N 3.25Å; E855-R859 IonicContact OE1-CZ 2.61Å; E855-R859 IonicContact OE1-NE 2.89Å; E855-R859 PolarHBondContact OE1-NE 3.28Å; E855-R859 IonicContact OE1-NH2 2.57Å; E855-R859 PolarHBondContact OE1-NH2 2.95Å; E855-R859 IonicContact OE2-NH2 2.95Å |
| 856 | R | 48.4 | Very low | 45.4 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.2 | -35.6 | 174.6 | -80.7 | -177.1 | 177.4 | -156.8 | 2.2 | 112.8 | E852 Q858 R859 A860 | E852-R856 PolarHBondContact O-N 3.22Å; E852-R856 IonicContact OE1-CZ 2.76Å; E852-R856 VanDerWaalsContact OE1-CZ 3.3Å; E852-R856 IonicContact OE1-NE 2.91Å; E852-R856 PolarHBondContact OE1-NE 3.34Å; E852-R856 IonicContact OE1-NH2 3.31Å; E852-R856 PolarHBondContact OE1-NH2 2.82Å; R856-Q858 VanDerWaalsContact C-N 3.25Å; R856-Q858 PolarHBondContact O-N 2.57Å; R856-R859 PolarHBondContact O-N 3.49Å; R856-A860 WeakPolarHBondContact O-CB 3.46Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.1Å |
| 857 | K | 49.8 | Very low | 44.8 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.3 | -19.8 | 177.8 | -74.9 | 170.7 | -173.7 | 162 | 0 | 113.8 | E853 E855 | E853-K857 WeakPolarHBondContact O-CD 3.46Å; E853-K857 WeakPolarHBondContact O-CG 3.37Å; E853-K857 WeakPolarHBondContact OE1-CE 3.37Å; E853-K857 IonicContact OE1-NZ 3.91Å; E853-K857 PolarHBondContact OE1-NZ 3.01Å; E855-K857 PolarHBondContact O-N 3.38Å |
| 858 | Q | 38.4 | Very low | 44.1 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85.1 | -48.8 | 171.7 | -61.3 | -169.3 | 5.2 | 0 | 0 | 111.5 | E855 R856 A860 R861 | E855-Q858 PolarHBondContact O-N 2.93Å; R856-Q858 VanDerWaalsContact C-N 3.25Å; R856-Q858 PolarHBondContact O-N 2.57Å; Q858-A860 PolarHBondContact O-N 2.82Å; Q858-R861 PolarHBondContact O-N 3.19Å |
| 859 | R | 41.3 | Very low | 43.5 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 59% | 0.585 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.7 | -35.5 | -175.3 | -61.9 | -173.9 | -175.6 | -159.9 | 3.8 | 113.2 | E855 R856 R861 Q862 | E855-R859 PolarHBondContact O-N 3.25Å; E855-R859 IonicContact OE1-CZ 2.61Å; E855-R859 IonicContact OE1-NE 2.89Å; E855-R859 PolarHBondContact OE1-NE 3.28Å; E855-R859 IonicContact OE1-NH2 2.57Å; E855-R859 PolarHBondContact OE1-NH2 2.95Å; E855-R859 IonicContact OE2-NH2 2.95Å; R856-R859 PolarHBondContact O-N 3.49Å; R859-R861 VanDerWaalsContact C-N 3.33Å; R859-R861 PolarHBondContact O-N 3.42Å; R859-Q862 PolarHBondContact O-N 2.89Å; R859-Q862 VanDerWaalsContact O-N 3.16Å |
| 860 | A | 44.8 | Very low | 42.7 | Very low | 60 Ų | 60 | 136.4 Ų | 136.4 | 50% | 0.496 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R856 Q858 Q862 Q863 | R856-A860 WeakPolarHBondContact O-CB 3.46Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.1Å; Q858-A860 PolarHBondContact O-N 2.82Å; A860-Q862 PolarHBondContact O-N 3.02Å; A860-Q863 PolarHBondContact O-N 3.47Å |
| 861 | R | 45.5 | Very low | 41.3 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73 | -13.8 | -179.7 | -67.6 | -178.5 | 174.7 | -177.2 | -1.2 | 113.9 | Q858 R859 | Q858-R861 PolarHBondContact O-N 3.19Å; R859-R861 VanDerWaalsContact C-N 3.33Å; R859-R861 PolarHBondContact O-N 3.42Å |
| 862 | Q | 44.2 | Very low | 40.5 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -104 | 10 | -178.2 | -65.7 | -176.9 | -16.5 | 0 | 0 | 113.3 | R859 A860 I865 | R859-Q862 PolarHBondContact O-N 2.89Å; R859-Q862 VanDerWaalsContact O-N 3.16Å; A860-Q862 PolarHBondContact O-N 3.02Å; Q862-I865 CarbonylContact C-O 3.57Å; Q862-I865 VanDerWaalsContact O-O 3.08Å |
| 863 | Q | 39.5 | Very low | 39.6 | Very low | 150 Ų | 150 | 143 Ų | 143 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -114.4 | -30.3 | 171.8 | -67 | -177 | -31.1 | 0 | 0 | 111.6 | A860 I865 | A860-Q863 PolarHBondContact O-N 3.47Å; Q863-I865 VanDerWaalsContact C-N 3.31Å |
| 864 | E | 40.4 | Very low | 38.4 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.2 | -32.4 | 169.7 | -165.2 | 170.6 | -154.3 | 0 | 0 | 112.1 | ||
| 865 | I | 38.8 | Very low | 37.4 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 64% | 0.641 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 110.4 | 161.6 | -57.9 | 176.8 | 0 | 0 | 0 | 107.1 | Q862 Q863 | Q862-I865 CarbonylContact C-O 3.57Å; Q862-I865 VanDerWaalsContact O-O 3.08Å; Q863-I865 VanDerWaalsContact C-N 3.31Å |
| 866 | E | 33.1 | Very low | 37.2 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 36% | 0.364 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -153.7 | 95.5 | -0.1 | -174 | 161.3 | -137.8 | 0 | 0 | 112.2 | R868 I869 | E866-R868 HydrophobicContact CG-CB 3.52Å; E866-R868 HydrophobicContact CG-CG 3.95Å; E866-R868 PolarHBondContact O-N 2.98Å; E866-R868 WeakPolarHBondContact OE1-CD 3.15Å; E866-R868 IonicContact OE1-CZ 2.76Å; E866-R868 IonicContact OE1-NE 3.5Å; E866-R868 IonicContact OE1-NH1 3.31Å; E866-R868 PolarHBondContact OE1-NH1 3.15Å; E866-I869 HydrophobicContact CB-CD1 4.33Å; E866-I869 HydrophobicContact CB-CG1 4.21Å; E866-I869 HydrophobicContact CG-CG1 4.15Å; E866-I869 PolarHBondContact O-N 3.25Å |
| 867 | E | 39.6 | Very low | 36 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60.7 | -11 | 167.7 | -71.9 | -159.9 | 100.4 | 0 | 0 | 113.1 | I869 R870 | E867-I869 PolarHBondContact O-N 3.31Å; E867-R870 WeakPolarHBondContact O-CB 3.44Å; E867-R870 PolarHBondContact O-N 3.4Å; E867-R870 IonicContact OE1-NH1 3.51Å |
| 868 | R | 38.3 | Very low | 34.9 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -68.1 | -18.2 | 169.9 | -52.1 | 154.7 | 147.8 | -173.1 | -2.2 | 113.4 | E866 R870 Q871 | E866-R868 HydrophobicContact CG-CB 3.52Å; E866-R868 HydrophobicContact CG-CG 3.95Å; E866-R868 PolarHBondContact O-N 2.98Å; E866-R868 WeakPolarHBondContact OE1-CD 3.15Å; E866-R868 IonicContact OE1-CZ 2.76Å; E866-R868 IonicContact OE1-NE 3.5Å; E866-R868 IonicContact OE1-NH1 3.31Å; E866-R868 PolarHBondContact OE1-NH1 3.15Å; R868-R870 PolarHBondContact O-N 3.45Å; R868-R870 VanDerWaalsContact O-N 3.17Å; R868-Q871 PolarHBondContact O-N 3.07Å; R868-Q871 VanDerWaalsContact O-N 3.07Å |
| 869 | I | 34.9 | Very low | 34.3 | Very low | 120 Ų | 120 | 145 Ų | 145 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -65.7 | -16.3 | 173.8 | -66.6 | 179.3 | 0 | 0 | 0 | 111.1 | E866 E867 Q871 K872 | E866-I869 HydrophobicContact CB-CD1 4.33Å; E866-I869 HydrophobicContact CB-CG1 4.21Å; E866-I869 HydrophobicContact CG-CG1 4.15Å; E866-I869 PolarHBondContact O-N 3.25Å; E867-I869 PolarHBondContact O-N 3.31Å; I869-Q871 PolarHBondContact O-N 3.38Å; I869-K872 PolarHBondContact O-N 3.13Å |
| 870 | R | 30.9 | Very low | 33.4 | Very low | 215 Ų | 215 | 147 Ų | 147 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -64.5 | 5 | 167.9 | -136.1 | 171.7 | -168.7 | 171.2 | 1.1 | 114.3 | E867 R868 | E867-R870 WeakPolarHBondContact O-CB 3.44Å; E867-R870 PolarHBondContact O-N 3.4Å; E867-R870 IonicContact OE1-NH1 3.51Å; R868-R870 PolarHBondContact O-N 3.45Å; R868-R870 VanDerWaalsContact O-N 3.17Å |
| 871 | Q | 25.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -120.3 | 21.6 | 173.9 | -69.9 | -165.5 | -19.5 | 0 | 0 | 115.5 | R868 I869 | R868-Q871 PolarHBondContact O-N 3.07Å; R868-Q871 VanDerWaalsContact O-N 3.07Å; I869-Q871 PolarHBondContact O-N 3.38Å |
| 872 | K | 30.1 | Very low | 32.5 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -129.7 | 104.4 | 168.2 | -77.2 | -175.2 | 178.1 | 174.8 | 0 | 113.9 | I869 | I869-K872 PolarHBondContact O-N 3.13Š|
| 873 | T | 27.1 | Very low | 31.8 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | 46.9 | 135.9 | 133.3 | 59.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 874 | I | 23.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | cis | -168 | 171.7 | -11.3 | -125.2 | 164.3 | 0 | 0 | 0 | 107.8 | ||||
| 875 | S | 22.6 | Very low | 31.1 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | trans | -81.3 | -164.8 | 173.3 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 876 | P | 44.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | cis | -107.6 | -146.3 | -16.1 | 23.1 | 3 | 0 | 0 | 0 | 109.4 | ||||
| 877 | Q | 23.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | cis | -138.3 | 158.1 | 10.6 | -83.3 | -168.9 | -89.3 | 0 | 0 | 109.4 | ||||
| 878 | E | 25.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 149 Ų | 149 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | cis | 81.1 | 94.8 | 34.2 | -167.5 | -144.1 | -118.5 | 0 | 0 | 114.9 | ||||
| 879 | K | 25.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 175.2 | 147.9 | 125.2 | -96.3 | 173.4 | -176.3 | 75.2 | 0 | 114.7 | |||||
| 880 | K | 24.4 | Very low | 29.4 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -81.3 | 177.7 | 159.2 | -64.2 | -177.6 | 177.6 | -180 | 0 | 108.6 | ||||
| 881 | P | 41.1 | Very low | 29.3 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -150.7 | -179.6 | 18.4 | 45.5 | -25.1 | 0 | 0 | 0 | 119.2 | ||||
| 882 | K | 29 | Very low | 29.3 | Very low | 150 Ų | 150 | 152 Ų | 152 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | trans | 62.4 | 127.2 | 140.7 | -79.1 | 173.9 | 160.8 | -77.5 | 0 | 120.1 | ||||
| 883 | E | 29.3 | Very low | 29.2 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 65% | 0.654 | 76% | 0.759 | S | S | * | * | 73.4 | 147 | 103.1 | -65.4 | 166.8 | 179.8 | 0 | 0 | 113.9 | |||||
| 884 | E | 32.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 152 Ų | 152 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -157 | 165 | -9.1 | -111.2 | -171.2 | 159 | 0 | 0 | 104.9 | ||||
| 885 | K | 33.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | cis | -155 | 176.4 | 18.8 | -136.7 | 170.1 | -177.8 | 75.2 | 0 | 109.8 | ||||
| 886 | D | 39.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -52.7 | 156.4 | -175 | -49.1 | -80 | 0 | 0 | 0 | 115.4 | ||||
| 887 | E | 32.3 | Very low | 28.8 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | cis | -148.6 | 156.8 | 48.5 | -60.6 | -174.5 | 136.7 | 0 | 0 | 117 | ||||
| 888 | G | 26.5 | Very low | 29 | Very low | 85 Ų | 85 | 151 Ų | 151 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | 96 | 124.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 889 | G | 26.4 | Very low | 29.2 | Very low | 77 Ų | 77 | 152.9 Ų | 152.9 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 167.5 | 81.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 890 | W | 24.5 | Very low | 29.2 | Very low | 217 Ų | 217 | 155.9 Ų | 155.9 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 15.7 | 121.5 | 147.9 | -65.7 | 85.6 | 0 | 0 | 0 | 125.5 | ||||
| 891 | R | 28.5 | Very low | 29.3 | Very low | 215 Ų | 215 | 158 Ų | 158 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 35.1 | 121.8 | 135 | -61.3 | -172.4 | -176.7 | -170.3 | -0 | 122.9 | ||||
| 892 | R | 26.9 | Very low | 28.5 | Very low | 259 Ų | 259 | 164.3 Ų | 164.3 | 98% | 0.977 | 80% | 0.798 | S | S | * | * | -154.9 | -164 | 114.2 | -137.4 | 177.9 | 177.6 | -176.3 | -2.6 | 112.2 | |||||
| 893 | K | 27.1 | Very low | 29 | Very low | 179 Ų | 179 | 162.1 Ų | 162.1 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -143.9 | -177.1 | -160.4 | -152.9 | -161.5 | 176.1 | -162.3 | 0 | 111.4 | ||||
| 894 | T | 25.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 161.2 Ų | 161.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 86.4 | 137.1 | 177.8 | 71.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 895 | D | 26.9 | Very low | 29.5 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | cis | -158.7 | 162.9 | -17.9 | -95.4 | -29.9 | 0 | 0 | 0 | 109 | ||||
| 896 | G | 27.3 | Very low | 29.2 | Very low | 73 Ų | 73 | 159.6 Ų | 159.6 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 176.1 | 106.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 897 | D | 29.8 | Very low | 28.6 | Very low | 163 Ų | 163 | 163.1 Ų | 163.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 28.2 | 157.1 | 149.9 | -86.5 | -43.7 | 0 | 0 | 0 | 126.4 | ||||
| 898 | S | 28.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 158.4 Ų | 158.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 79.5 | 97 | 155.3 | -60.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 899 | E | 29.2 | Very low | 28.1 | Very low | 175 Ų | 175 | 165.7 Ų | 165.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 53.5 | 146.6 | 138.6 | -57 | -158.6 | 132.9 | 0 | 0 | 123.8 | ||||
| 900 | W | 24.7 | Very low | 27.9 | Very low | 233 Ų | 233 | 170.9 Ų | 170.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 76.7 | 129.4 | 170.7 | -71.7 | 90.4 | 0 | 0 | 0 | 120.2 | ||||
| 901 | R | 26.4 | Very low | 27.9 | Very low | 243 Ų | 243 | 167.1 Ų | 167.1 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | 92.3 | 143.6 | 167 | -58 | -173 | 174.4 | -128.5 | -3.2 | 118.9 | ||||
| 902 | R | 25.3 | Very low | 27.7 | Very low | 237 Ų | 237 | 164.2 Ų | 164.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -51.6 | 172.6 | 167.9 | -76.8 | -177.9 | -177.3 | -168.6 | 1.4 | 114.4 | ||||
| 903 | P | 39.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 155 Ų | 155 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -142.9 | 172.9 | -23.7 | 36 | -16.8 | 0 | 0 | 0 | 116.2 | ||||
| 904 | V | 35.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | 58.2 | 150.3 | 165.1 | -128.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 905 | P | 34.9 | Very low | 27.5 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -150.1 | 169.9 | 91.5 | 40.5 | -23.5 | 0 | 0 | 0 | 116 | |||||
| 906 | D | 28.6 | Very low | 27.5 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | -76.9 | 151.9 | 160.6 | -59.9 | -73 | 0 | 0 | 0 | 111.8 | ||||
| 907 | R | 26.4 | Very low | 27.5 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | 173.5 | 136.7 | 107 | -95.9 | -167.8 | 106.8 | 136.3 | 11.6 | 116.4 | |||||
| 908 | D | 25.9 | Very low | 27.5 | Very low | 97 Ų | 97 | 162.6 Ų | 162.6 | 52% | 0.519 | 76% | 0.758 | S | S | . | * | trans | 48.2 | 116.7 | 132.6 | -75 | -28.3 | 0 | 0 | 0 | 122.8 | ||||
| 909 | W | 23 | Very low | 27.3 | Very low | 238 Ų | 238 | 165.5 Ų | 165.5 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | 51.5 | 140.7 | 146 | -54.6 | 74.4 | 0 | 0 | 0 | 118.5 | ||||
| 910 | R | 21.1 | Very low | 27 | Very low | 186 Ų | 186 | 165.2 Ų | 165.2 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | -179.5 | 173.5 | 60.6 | -153 | 177.1 | -174.1 | -91.8 | -5.6 | 110.9 | |||||
| 911 | Q | 25.3 | Very low | 27 | Very low | 137 Ų | 137 | 163.1 Ų | 163.1 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | trans | 73.2 | 119.6 | 165.3 | -64.4 | -164.9 | -93.1 | 0 | 0 | 115.1 | ||||
| 912 | E | 23.5 | Very low | 27 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 71.6 | 126.9 | 69 | -66.1 | 160.6 | -162.7 | 0 | 0 | 111.4 | |||||
| 913 | G | 25.5 | Very low | 27.1 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | cis | 158.9 | -154.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 914 | R | 25.7 | Very low | 26.9 | Very low | 211 Ų | 211 | 151.1 Ų | 151.1 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | 75.8 | 123.9 | 174.1 | -51.4 | -151.1 | 83.9 | 169.4 | 2.4 | 113.3 | ||||
| 915 | E | 24 | Very low | 26.3 | Very low | 134 Ų | 134 | 155.4 Ų | 155.4 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | 67.3 | 126.8 | 67 | -64.6 | 163.1 | -167.1 | 0 | 0 | 110.2 | |||||
| 916 | D | 26.7 | Very low | 26 | Very low | 142 Ų | 142 | 161 Ų | 161 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -147.6 | 159.4 | 12 | -84.3 | -46.7 | 0 | 0 | 0 | 111.5 | ||||
| 917 | N | 28.4 | Very low | 25.9 | Very low | 145 Ų | 145 | 166.4 Ų | 166.4 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | 168.1 | 162.6 | 97.3 | -153.6 | 1.8 | 0 | 0 | 0 | 113.6 | |||||
| 918 | R | 28.6 | Very low | 25.8 | Very low | 204 Ų | 204 | 159 Ų | 159 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -39.7 | 134.9 | -178.3 | -77.7 | 168.5 | 162.8 | 148.8 | -5.5 | 119.5 | ||||
| 919 | E | 24.2 | Very low | 25.8 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 37 | 144.9 | 103.2 | -57.1 | 176.6 | 125.6 | 0 | 0 | 121.5 | |||||
| 920 | E | 24.8 | Very low | 25.8 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 139.9 | 157.4 | -75.5 | -158.7 | 145.5 | 0 | 0 | 119.3 | ||||
| 921 | R | 24.2 | Very low | 26.5 | Very low | 189 Ų | 189 | 151 Ų | 151 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | -163.1 | 151 | -13.7 | -148.5 | -176.3 | -176.1 | -113 | 12.1 | 110.2 | ||||
| 922 | D | 25.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | 59.2 | 162.9 | 163.8 | -59 | -42.1 | 0 | 0 | 0 | 119.9 | ||||
| 923 | G | 28.8 | Very low | 26.5 | Very low | 70 Ų | 70 | 157.6 Ų | 157.6 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -89 | -163.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 924 | P | 33.5 | Very low | 26.5 | Very low | 131 Ų | 131 | 160.9 Ų | 160.9 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -145.4 | -171.5 | 53 | 40.8 | -21.5 | 0 | 0 | 0 | 115.8 | |||||
| 925 | F | 23.8 | Very low | 26.4 | Very low | 213 Ų | 213 | 154.5 Ų | 154.5 | 93% | 0.934 | 78% | 0.781 | S | S | * | * | trans | -87.2 | 153.1 | 170.9 | -106.5 | -92 | 0 | 0 | 0 | 113.4 | ||||
| 926 | R | 28.9 | Very low | 26.4 | Very low | 239 Ų | 239 | 156 Ų | 156 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -80.5 | 145.1 | -164.4 | -58.6 | 170 | 170.6 | -173.3 | -4.7 | 116.3 | ||||
| 927 | R | 25.1 | Very low | 26.3 | Very low | 256 Ų | 256 | 155.7 Ų | 155.7 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | -170.1 | 148.7 | 120.9 | -95.9 | 178.9 | -166.5 | -141.6 | 5.5 | 107.6 | |||||
| 928 | G | 24.8 | Very low | 26.1 | Very low | 60 Ų | 60 | 159.5 Ų | 159.5 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | cis | -176 | 160.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 929 | D | 25.3 | Very low | 25.8 | Very low | 175 Ų | 175 | 153 Ų | 153 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | 62.4 | 149.5 | 170.7 | -64.7 | -76.2 | 0 | 0 | 0 | 119.7 | ||||
| 930 | G | 24.7 | Very low | 26.6 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -121.3 | -127.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 931 | P | 35.6 | Very low | 26.5 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -140.8 | 179.4 | 0.5 | 45.3 | -29.1 | 0 | 0 | 0 | 115.5 | ||||
| 932 | R | 24 | Very low | 26.5 | Very low | 235 Ų | 235 | 155.8 Ų | 155.8 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 67.9 | 160 | 156 | -72.1 | 169.1 | -174.1 | -172.7 | 1.7 | 117.1 | ||||
| 933 | R | 24.3 | Very low | 26.3 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | -176.3 | 142 | -22.1 | 167.8 | -179.1 | 177.5 | -174.8 | 1.9 | 109.2 | ||||
| 934 | D | 24.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 159 Ų | 159 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 56.7 | 163.1 | 167.9 | -55.3 | -16.6 | 0 | 0 | 0 | 117.3 | ||||
| 935 | G | 23.6 | Very low | 26.1 | Very low | 76 Ų | 76 | 158.7 Ų | 158.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 135 | 112.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 936 | D | 25.1 | Very low | 26.9 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -85.7 | 169.3 | 178.7 | -80.5 | -72.6 | 0 | 0 | 0 | 114.6 | ||||
| 937 | D | 24.6 | Very low | 27.5 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 84.7 | 167.2 | 146.9 | -125.8 | -36 | 0 | 0 | 0 | 120.5 | ||||
| 938 | R | 24 | Very low | 28.1 | Very low | 225 Ų | 225 | 150.4 Ų | 150.4 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | -70.1 | 146.9 | -161 | -61.1 | 143 | -178.1 | 169.1 | -1.2 | 113.3 | ||||
| 939 | G | 22.6 | Very low | 28.7 | Very low | 68 Ų | 68 | 151.1 Ų | 151.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -67.8 | -170.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 940 | P | 40.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | -154.6 | 176.7 | 48.9 | 42.7 | -22.6 | 0 | 0 | 0 | 118.7 | ||||
| 941 | R | 23.5 | Very low | 30.6 | Very low | 224 Ų | 224 | 157.4 Ų | 157.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 70.6 | 141.7 | 141.1 | -89.8 | 176.8 | 174.1 | -171.3 | -1.5 | 122.4 | ||||
| 942 | R | 22.5 | Very low | 30.8 | Very low | 243 Ų | 243 | 163.4 Ų | 163.4 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 75.7 | 131.6 | 153.7 | -71.7 | 174.4 | 168.7 | -178.5 | -4.3 | 119.2 | ||||
| 943 | G | 22.6 | Very low | 31.3 | Very low | 80 Ų | 80 | 155.7 Ų | 155.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 152.8 | 90.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 944 | F | 23.9 | Very low | 31.7 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -13.4 | 140 | 158.7 | -98.6 | -130.3 | 0 | 0 | 0 | 121.7 | ||||
| 945 | D | 33.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | 71.1 | 131.8 | 130.7 | -63.3 | 5.4 | 0 | 0 | 0 | 126.7 | ||||
| 946 | E | 41.4 | Very low | 32.9 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 77.9 | 125 | 145.4 | -68.3 | -169.4 | 144.9 | 0 | 0 | 127.2 | ||||
| 947 | D | 40.5 | Very low | 33.4 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | trans | 104.3 | 107.4 | 138.4 | -127.9 | 13.5 | 0 | 0 | 0 | 125.9 | ||||
| 948 | R | 38.9 | Very low | 33.9 | Very low | 218 Ų | 218 | 155.5 Ų | 155.5 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | 75.3 | 99 | 137.1 | -93.9 | 169.5 | -177.7 | 135.9 | -5.8 | 129.7 | ||||
| 949 | G | 37.6 | Very low | 34.7 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | 73.3 | 172.9 | 123.4 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 950 | P | 50.4 | Low | 35.9 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | -149.4 | 150.4 | -33 | 39.3 | -18.6 | 0 | 0 | 0 | 121.8 | ||||
| 951 | R | 39.7 | Very low | 35.3 | Very low | 255 Ų | 255 | 159.8 Ų | 159.8 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | trans | 67.1 | 178.1 | 156.4 | -67 | 178.1 | 173.8 | -175.7 | -2.7 | 121.7 | ||||
| 952 | R | 39.1 | Very low | 35.5 | Very low | 234 Ų | 234 | 161 Ų | 161 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | cis | -167.8 | 167.3 | -49.3 | -165.1 | -157.8 | 169.3 | -155.9 | -6.9 | 107.5 | ||||
| 953 | G | 35.1 | Very low | 35.5 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | -170.1 | -167.3 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 954 | G | 31.8 | Very low | 35.7 | Very low | 64 Ų | 64 | 156 Ų | 156 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | cis | 172.3 | 178.8 | 1.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 955 | D | 32.8 | Very low | 35.7 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | cis | -166.4 | -179.6 | -13.2 | -62.7 | -47.2 | 0 | 0 | 0 | 110.5 | ||||
| 956 | D | 41.5 | Very low | 35.3 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -155.4 | 171.3 | -167 | -171.5 | 29.3 | 0 | 0 | 0 | 119.3 | ||||
| 957 | E | 34.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 58% | 0.579 | 80% | 0.799 | S | S | * | * | trans | 156.5 | 158.5 | 161.9 | -86.3 | -76.3 | 88.7 | 0 | 0 | 115.8 | ||||
| 958 | R | 34 | Very low | 33.8 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -158.1 | -73 | -26.2 | -158.7 | 176.1 | -118.7 | 137.9 | 7.3 | 123.5 | ||||
| 959 | P | 42.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -112.6 | -133.4 | -127 | 38.7 | -24.6 | 0 | 0 | 0 | 124.9 | |||||
| 960 | P | 46.8 | Very low | 33 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | -136.9 | 177.4 | -121.7 | 43.7 | -22.9 | 0 | 0 | 0 | 123.1 | |||||
| 961 | R | 29.4 | Very low | 31.7 | Very low | 261 Ų | 261 | 158.9 Ų | 158.9 | 99% | 0.985 | 81% | 0.806 | S | S | * | * | trans | -157.7 | -174.1 | 164.7 | -132.2 | -172.9 | -165.9 | -148.4 | 5.7 | 116.1 | ||||
| 962 | R | 25.9 | Very low | 30.9 | Very low | 248 Ų | 248 | 158.9 Ų | 158.9 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -91.2 | 139.4 | -166.3 | -80.1 | -177.1 | 171.8 | 178.7 | -3.3 | 119.1 | ||||
| 963 | G | 23.9 | Very low | 30.2 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | 76.2 | 143.9 | 117.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 964 | V | 25.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 176.9 | 171 | 148.7 | 143.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 965 | D | 25.2 | Very low | 29.5 | Very low | 137 Ų | 137 | 158.3 Ų | 158.3 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -98.2 | 171.1 | -149.5 | -45.5 | -88.4 | 0 | 0 | 0 | 120.4 | ||||
| 966 | E | 24.4 | Very low | 29.2 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 69.6 | 119 | 141.9 | -83.8 | -178.6 | 175.3 | 0 | 0 | 126.7 | ||||
| 967 | D | 25.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | 96.8 | 144.1 | 129 | -149.2 | 22.9 | 0 | 0 | 0 | 123.6 | |||||
| 968 | R | 25.5 | Very low | 28.3 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 65.9 | 117.8 | 167.7 | -73.8 | 169.1 | -175.6 | 174.9 | -1.5 | 122.7 | ||||
| 969 | G | 26.7 | Very low | 28.3 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -92.4 | -169.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 970 | P | 32.7 | Very low | 28 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | -159.3 | 146.9 | 74.6 | 39.6 | -18 | 0 | 0 | 0 | 121 | |||||
| 971 | R | 22.9 | Very low | 27.1 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | 68.4 | 146.9 | 138.4 | -72.1 | -175.6 | 168.4 | -161.8 | -3.7 | 124.8 | ||||
| 972 | R | 23.9 | Very low | 27 | Very low | 256 Ų | 256 | 144.1 Ų | 144.1 | 97% | 0.966 | 73% | 0.727 | S | S | * | * | trans | 77.5 | 142.3 | 166.9 | -64.7 | 173.1 | 169.6 | 172.4 | -5.4 | 116.2 | ||||
| 973 | G | 23.4 | Very low | 27 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | cis | -165.4 | 152.6 | -6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 974 | F | 23.8 | Very low | 27.1 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | 51.6 | 145 | 94.3 | -95.9 | -113.3 | 0 | 0 | 0 | 115.8 | |||||
| 975 | D | 28.2 | Very low | 27.2 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 56% | 0.556 | 66% | 0.661 | S | S | * | * | cis | -159.6 | -167.5 | -13.5 | -124.5 | 25.4 | 0 | 0 | 0 | 106 | R1092 | D975-R1092 IonicContact OD2-CZ 3.33Å; D975-R1092 IonicContact OD2-NH2 2.68Å; D975-R1092 PolarHBondContact OD2-NH2 3.46Å | ||
| 976 | E | 27.4 | Very low | 27.3 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 43% | 0.425 | 65% | 0.651 | S | S | . | * | cis | -150 | 146.1 | 8 | -153.4 | -158 | 137.5 | 0 | 0 | 110.1 | G1095 | E976-G1095 VanDerWaalsContact OE2-CA 3.25Å; E976-G1095 WeakPolarHBondContact OE2-CA 3.37Å | ||
| 977 | D | 30.9 | Very low | 27.5 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | trans | 0.3 | 158.3 | 145.7 | -61.1 | -104.2 | 0 | 0 | 0 | 125 | R1092 | D977-R1092 VanDerWaalsContact CG-NH1 3.3Å; D977-R1092 IonicContact OD1-NH1 2.72Å; D977-R1092 PolarHBondContact OD1-NH1 3.16Å; D977-R1092 IonicContact OD2-CZ 3.86Å; D977-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D977-R1092 IonicContact OD2-NH1 2.81Å; D977-R1092 PolarHBondContact OD2-NH1 3.19Å; D977-R1092 IonicContact OD2-NH2 3.84Å; D977-R1092 PolarHBondContact OD2-NH2 3.22Å | ||
| 978 | R | 26.7 | Very low | 27.5 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 56% | 0.562 | 63% | 0.633 | S | S | * | * | -178.7 | 148 | 108.1 | -102.3 | -178.7 | -178.4 | -169.9 | 1.2 | 117.4 | G1095 W1096 | R978-G1095 PolarHBondContact NH2-O 3.38Å; R978-W1096 VanDerWaalsContact NH1-CE3 3.3Å | |||
| 979 | G | 33 | Very low | 27.4 | Very low | 63 Ų | 63 | 118.5 Ų | 118.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | trans | -85.7 | -150.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 980 | P | 37 | Very low | 27.8 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | cis | -158.3 | -163.5 | 40.4 | 43.2 | -19.8 | 0 | 0 | 0 | 117.9 | ||||
| 981 | R | 27 | Very low | 27.4 | Very low | 214 Ų | 214 | 126.1 Ų | 126.1 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | 78.1 | 146.3 | 155.6 | -70.8 | 176.2 | 176 | 177.7 | -2.7 | 117.6 | ||||
| 982 | R | 28.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 41% | 0.408 | 63% | 0.633 | S | S | . | * | cis | -159.2 | -178 | 5.7 | -110.7 | 170.7 | 148.8 | -130.8 | -11.5 | 112.5 | A599 E600 | A599-R982 PolarHBondContact O-NH1 3.24Å; E600-R982 VanDerWaalsContact CD-CG 3.43Å; E600-R982 HydrophobicContact CG-CB 3.83Å; E600-R982 HydrophobicContact CG-CG 3.73Å; E600-R982 VanDerWaalsContact CG-CZ 3.43Å; E600-R982 WeakPolarHBondContact OE1-CD 3.49Å; E600-R982 WeakPolarHBondContact OE1-CG 3.42Å; E600-R982 IonicContact OE1-CZ 2.78Å; E600-R982 IonicContact OE1-NE 3.19Å; E600-R982 PolarHBondContact OE1-NE 3.27Å; E600-R982 IonicContact OE1-NH1 2.79Å; E600-R982 IonicContact OE1-NH2 2.65Å; E600-R982 PolarHBondContact OE1-NH2 3.23Å | ||
| 983 | A | 26 | Very low | 27.6 | Very low | 65 Ų | 65 | 118 Ų | 118 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | trans | -128.4 | -153.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | R597 E600 | R597-A983 HydrophobicContact CG-CB 4.02Å; E600-A983 WeakPolarHBondContact CB-O 3.38Å; E600-A983 WeakPolarHBondContact OE2-CA 3Å; E600-A983 WeakPolarHBondContact OE2-CB 3.4Å; E600-A983 PolarHBondContact OE2-N 3.26Å | ||
| 984 | G | 25.8 | Very low | 27.6 | Very low | 34 Ų | 34 | 124.3 Ų | 124.3 | 35% | 0.351 | 64% | 0.635 | S | S | . | * | trans | -178.6 | 154.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | R597 | R597-G984 WeakPolarHBondContact CD-O 3.47Š| ||
| 985 | D | 27.9 | Very low | 27.7 | Very low | 55 Ų | 55 | 121.8 Ų | 121.8 | 29% | 0.294 | 63% | 0.63 | S | S | . | * | trans | -153.7 | -173.8 | -174.2 | -93.2 | -33.1 | 0 | 0 | 0 | 111 | L594 R597 | L594-D985 HydrophobicContact CD2-CB 3.98Å; R597-D985 HydrophobicContact CB-CB 3.78Å; R597-D985 WeakPolarHBondContact CD-OD2 3.37Å; R597-D985 IonicContact CZ-OD1 3.63Å; R597-D985 IonicContact CZ-OD2 2.89Å; R597-D985 IonicContact NE-OD2 3.38Å; R597-D985 PolarHBondContact NE-OD2 3.43Å; R597-D985 VanDerWaalsContact NE-OD2 3.1Å; R597-D985 IonicContact NH1-OD1 2.93Å; R597-D985 PolarHBondContact NH1-OD1 3.32Å; R597-D985 IonicContact NH1-OD2 2.99Å; R597-D985 PolarHBondContact NH1-OD2 2.95Å; R597-D985 IonicContact NH2-OD2 3.45Å | ||
| 986 | E | 27.5 | Very low | 27.7 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | cis | -103.2 | -166.4 | 9.1 | -101.7 | -154.9 | 158.7 | 0 | 0 | 113 | R988 | E986-R988 IonicContact OE1-CZ 3.3Å; E986-R988 IonicContact OE1-NH1 3.69Å; E986-R988 PolarHBondContact OE1-NH1 3.39Å; E986-R988 IonicContact OE1-NH2 3.73Å; E986-R988 PolarHBondContact OE1-NH2 2.95Å; E986-R988 IonicContact OE2-CZ 2.74Å; E986-R988 IonicContact OE2-NH1 3.9Å; E986-R988 IonicContact OE2-NH2 3.91Å | ||
| 987 | D | 27.7 | Very low | 27.7 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 49% | 0.492 | 65% | 0.654 | S | S | . | * | cis | 175.8 | 172.4 | -40.2 | -174.8 | 22.9 | 0 | 0 | 0 | 109 | ||||
| 988 | R | 25.8 | Very low | 27.5 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 68% | 0.683 | 67% | 0.667 | S | S | * | * | trans | 71.6 | 131.7 | 159.2 | -82.4 | 157.5 | -142.3 | 144.3 | 23.7 | 122.4 | E986 | E986-R988 IonicContact OE1-CZ 3.3Å; E986-R988 IonicContact OE1-NH1 3.69Å; E986-R988 PolarHBondContact OE1-NH1 3.39Å; E986-R988 IonicContact OE1-NH2 3.73Å; E986-R988 PolarHBondContact OE1-NH2 2.95Å; E986-R988 IonicContact OE2-CZ 2.74Å; E986-R988 IonicContact OE2-NH1 3.9Å; E986-R988 IonicContact OE2-NH2 3.91Å | ||
| 989 | G | 22.3 | Very low | 27.4 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | trans | -92.8 | -147.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 990 | P | 35.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | cis | -145.1 | -171 | 13.6 | 44.4 | -24.9 | 0 | 0 | 0 | 117.1 | ||||
| 991 | R | 23.9 | Very low | 26.8 | Very low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | 79.3 | 114.9 | 156.1 | -72 | -176.2 | 176.5 | -163.1 | 0.6 | 121.8 | ||||
| 992 | R | 25.7 | Very low | 26.8 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 70% | 0.695 | S | S | * | * | trans | 52.4 | 110.8 | 132.2 | -68.5 | -173 | 174.6 | -176.2 | -2.5 | 120.4 | ||||
| 993 | G | 26.4 | Very low | 26.6 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | trans | -155.2 | 141.4 | 145 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 994 | F | 23 | Very low | 26.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -116.6 | 134.1 | 175.1 | -125 | -98.9 | 0 | 0 | 0 | 107.4 | ||||
| 995 | D | 26.1 | Very low | 26.6 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | 162 | 162.8 | 122.3 | -82 | -36.8 | 0 | 0 | 0 | 112.7 | |||||
| 996 | D | 28.5 | Very low | 26.7 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 96.5 | 165.8 | -66.9 | -20.9 | 0 | 0 | 0 | 122.4 | ||||
| 997 | D | 27.1 | Very low | 26.9 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | 37.9 | 136.5 | 115.9 | -144.4 | 18.8 | 0 | 0 | 0 | 122.3 | |||||
| 998 | R | 26.6 | Very low | 27 | Very low | 217 Ų | 217 | 162 Ų | 162 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | 60.5 | 117.1 | 162.3 | -63.6 | 164.1 | -156.8 | -157 | 1.2 | 120.5 | ||||
| 999 | G | 24.4 | Very low | 27.1 | Very low | 71 Ų | 71 | 156.5 Ų | 156.5 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -77.8 | 176.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1000 | P | 33.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 159.2 Ų | 159.2 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | -152.1 | 156.2 | 100.7 | 39.5 | -23.1 | 0 | 0 | 0 | 118.3 | |||||
| 1001 | R | 24.4 | Very low | 27.6 | Very low | 231 Ų | 231 | 163.9 Ų | 163.9 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | 19.2 | 139.5 | 146 | -65.4 | 178.2 | 163.4 | -174.6 | -5.4 | 122.5 | ||||
| 1002 | R | 25.3 | Very low | 27.7 | Very low | 248 Ų | 248 | 164.3 Ų | 164.3 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | 81 | 156.1 | 165.8 | -56.4 | 167.6 | 171.6 | 171.7 | -5.3 | 114.4 | ||||
| 1003 | G | 24.6 | Very low | 27.6 | Very low | 68 Ų | 68 | 156.1 Ų | 156.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -94.6 | -164.8 | -14.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1004 | F | 23.2 | Very low | 27.4 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | cis | 57.7 | 115.6 | 28.5 | -103.4 | -81 | 0 | 0 | 0 | 114.4 | ||||
| 1005 | D | 28.4 | Very low | 27.7 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | -164.5 | 153.2 | 115.2 | -90 | -28.2 | 0 | 0 | 0 | 111.3 | |||||
| 1006 | D | 31.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 158 Ų | 158 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -97.8 | 138.9 | 172.4 | -93.1 | -58.8 | 0 | 0 | 0 | 109.9 | ||||
| 1007 | D | 31.4 | Very low | 27.7 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -87.3 | 117.1 | -176 | -136.2 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 1008 | R | 29.7 | Very low | 27.8 | Very low | 252 Ų | 252 | 163.3 Ų | 163.3 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | trans | -161.7 | 77.5 | 164.6 | -119.5 | 171.4 | -159.6 | -151.2 | 4.7 | 118.6 | ||||
| 1009 | G | 26.9 | Very low | 27.7 | Very low | 65 Ų | 65 | 156 Ų | 156 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | 97 | 167.9 | 129.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1010 | P | 44.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 158.6 Ų | 158.6 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -138.9 | 168.9 | -144.9 | 37 | -16.7 | 0 | 0 | 0 | 118.4 | ||||
| 1011 | R | 23.7 | Very low | 28.3 | Very low | 218 Ų | 218 | 164.7 Ų | 164.7 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | 127.3 | 145.4 | 141.8 | -72 | 178.1 | 165.6 | -167.4 | -4.5 | 118.6 | ||||
| 1012 | R | 25.9 | Very low | 28.4 | Very low | 237 Ų | 237 | 165.4 Ų | 165.4 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | 85.1 | 147.6 | 150.4 | -78.8 | 169.1 | 172.3 | -176.5 | -4.6 | 121.2 | ||||
| 1013 | G | 25.1 | Very low | 28.4 | Very low | 73 Ų | 73 | 156.7 Ų | 156.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 89.1 | 108.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1014 | F | 22.5 | Very low | 28.3 | Very low | 194 Ų | 194 | 162.9 Ų | 162.9 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | cis | 79.3 | 128.8 | 27.9 | -105.1 | -109.4 | 0 | 0 | 0 | 115.9 | ||||
| 1015 | D | 27.5 | Very low | 28.5 | Very low | 119 Ų | 119 | 161.3 Ų | 161.3 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | trans | 73 | 105.3 | 162.3 | -50.7 | -21.4 | 0 | 0 | 0 | 123.1 | ||||
| 1016 | D | 28.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | 90.2 | 134.3 | 115.3 | -66.2 | -13.3 | 0 | 0 | 0 | 126.6 | |||||
| 1017 | D | 27.7 | Very low | 28.6 | Very low | 143 Ų | 143 | 160.4 Ų | 160.4 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 54.7 | 109.2 | 145.2 | -85 | -25 | 0 | 0 | 0 | 122.7 | ||||
| 1018 | R | 27.7 | Very low | 28.3 | Very low | 243 Ų | 243 | 164.6 Ų | 164.6 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | -173.4 | 126.2 | 95.9 | -98 | 167.7 | -170.9 | -174.8 | 3.8 | 114.4 | |||||
| 1019 | G | 25.4 | Very low | 28.2 | Very low | 64 Ų | 64 | 155.7 Ų | 155.7 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | -104.6 | -159.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1020 | P | 44.9 | Very low | 29.4 | Very low | 125 Ų | 125 | 158.2 Ų | 158.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | cis | -129.3 | -178.6 | -19.4 | 41.3 | -27.5 | 0 | 0 | 0 | 112.3 | ||||
| 1021 | R | 26.1 | Very low | 28.5 | Very low | 253 Ų | 253 | 163 Ų | 163 | 96% | 0.955 | 81% | 0.805 | S | S | * | * | trans | -156.4 | 157.5 | 149.6 | -111.4 | 168.7 | -163 | -138.2 | 1.2 | 111.1 | ||||
| 1022 | R | 26.9 | Very low | 28.6 | Very low | 246 Ų | 246 | 163.8 Ų | 163.8 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -131.7 | 147.6 | -171 | -75.2 | 178.2 | 168.4 | 176.4 | -4.5 | 112.1 | ||||
| 1023 | G | 24.2 | Very low | 28.6 | Very low | 64 Ų | 64 | 155.8 Ų | 155.8 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 97.1 | 150.3 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1024 | F | 23 | Very low | 28.6 | Very low | 199 Ų | 199 | 161.7 Ų | 161.7 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | 67.8 | 149.3 | 171.8 | -65.4 | -88.5 | 0 | 0 | 0 | 115.6 | ||||
| 1025 | D | 27.8 | Very low | 29 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | -124.9 | 170.6 | 10.4 | -89.9 | -59.1 | 0 | 0 | 0 | 114.2 | ||||
| 1026 | D | 31.2 | Very low | 29.3 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -116.7 | -172.3 | -178.2 | -120.4 | -49.8 | 0 | 0 | 0 | 112 | ||||
| 1027 | D | 29.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 159 Ų | 159 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 104.5 | 159.8 | -88.3 | -41.7 | 0 | 0 | 0 | 120.8 | ||||
| 1028 | R | 26.2 | Very low | 29.5 | Very low | 246 Ų | 246 | 162.9 Ų | 162.9 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | -177.5 | 125 | 105.9 | -100.4 | 175.9 | -175.5 | -175.1 | 3.4 | 115 | |||||
| 1029 | G | 27.3 | Very low | 29.4 | Very low | 65 Ų | 65 | 154.7 Ų | 154.7 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -112.1 | -154.5 | 141 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1030 | P | 52.1 | Low | 30.1 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -133.1 | 176.1 | -20.2 | 41.1 | -27.6 | 0 | 0 | 0 | 112.8 | ||||
| 1031 | R | 24.5 | Very low | 29.3 | Very low | 223 Ų | 223 | 163.3 Ų | 163.3 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | 175.9 | 142.7 | 134.9 | -99 | 161.9 | -172.1 | -144.3 | 2.3 | 115 | ||||
| 1032 | R | 26.7 | Very low | 29.4 | Very low | 234 Ų | 234 | 163.5 Ų | 163.5 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | 11.1 | 141.6 | 141.9 | -51.6 | 173.4 | -179.6 | -178.8 | -3.3 | 117.8 | ||||
| 1033 | G | 25.9 | Very low | 29.4 | Very low | 69 Ų | 69 | 155.1 Ų | 155.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 127.5 | 167.3 | 17.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1034 | F | 24.6 | Very low | 29.4 | Very low | 197 Ų | 197 | 160.6 Ų | 160.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 90.2 | 134.1 | 174.6 | -89.9 | -120.2 | 0 | 0 | 0 | 121.1 | ||||
| 1035 | D | 30.8 | Very low | 29.7 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | 54.2 | 108.1 | 143.3 | -59.2 | 9.7 | 0 | 0 | 0 | 125.6 | ||||
| 1036 | D | 34.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 156.4 Ų | 156.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | 64.9 | 149.7 | 103.7 | -113.9 | -20.3 | 0 | 0 | 0 | 126.7 | |||||
| 1037 | D | 32.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 155 Ų | 155 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | trans | 68.9 | 107.7 | 146.2 | -154.7 | 27.6 | 0 | 0 | 0 | 123.4 | ||||
| 1038 | R | 27.8 | Very low | 29.4 | Very low | 224 Ų | 224 | 158.6 Ų | 158.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | 173.6 | 153 | 111.2 | -91.2 | 163.3 | -169.2 | -167 | 1.8 | 116 | |||||
| 1039 | G | 25.5 | Very low | 29.4 | Very low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -85.5 | -155.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1040 | P | 39.3 | Very low | 29.9 | Very low | 138 Ų | 138 | 153.2 Ų | 153.2 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | -143.9 | -176.8 | 58.4 | 40.8 | -22.5 | 0 | 0 | 0 | 117 | |||||
| 1041 | R | 28.1 | Very low | 28.7 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -102.4 | 149.2 | 177.5 | -68.2 | 179.1 | 171.5 | -167.6 | -1.5 | 114.3 | ||||
| 1042 | R | 29.1 | Very low | 28.7 | Very low | 258 Ų | 258 | 159.3 Ų | 159.3 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | -149.1 | 142 | 129.2 | -69.8 | -171.4 | 175.1 | 168.7 | -3.2 | 105.6 | |||||
| 1043 | G | 25.7 | Very low | 28.7 | Very low | 70 Ų | 70 | 151.2 Ų | 151.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 111.2 | 137.4 | 21.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1044 | F | 25.6 | Very low | 28.5 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | cis | -168.1 | -176.7 | -2.3 | -141.6 | -76.3 | 0 | 0 | 0 | 107.8 | ||||
| 1045 | D | 28.4 | Very low | 28.5 | Very low | 121 Ų | 121 | 152 Ų | 152 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | trans | 75.9 | 105.7 | 151.2 | -62.9 | -46.7 | 0 | 0 | 0 | 122.1 | ||||
| 1046 | D | 27.1 | Very low | 28.3 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | 62.1 | 119.7 | 106.6 | -75.3 | 20 | 0 | 0 | 0 | 125.3 | |||||
| 1047 | D | 27.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | 85.8 | 154.9 | 120.5 | -160.3 | 29.4 | 0 | 0 | 0 | 121.2 | |||||
| 1048 | R | 27.8 | Very low | 27.7 | Very low | 218 Ų | 218 | 156.2 Ų | 156.2 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | trans | 75.8 | 116.6 | 164 | -50.6 | -168.3 | -176.4 | 175.1 | 1.9 | 121 | ||||
| 1049 | G | 27.1 | Very low | 27.6 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -79.6 | -161.2 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1050 | P | 38.4 | Very low | 27.8 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -147.8 | -172.3 | 44.7 | 42.2 | -22.1 | 0 | 0 | 0 | 116.3 | ||||
| 1051 | R | 25.6 | Very low | 27.1 | Very low | 225 Ų | 225 | 155.7 Ų | 155.7 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | -55.7 | 150.4 | 162 | -49.3 | 160.3 | 172.5 | 173.4 | -6.6 | 112.4 | ||||
| 1052 | R | 26 | Very low | 27.1 | Very low | 244 Ų | 244 | 156.9 Ų | 156.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | 163.6 | 162.2 | 111.9 | -95.9 | 178.6 | 165.7 | 164.5 | -4.7 | 113.4 | |||||
| 1053 | G | 25 | Very low | 26.9 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 106.2 | 117.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1054 | L | 22.9 | Very low | 27.1 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | 63.2 | 131 | 11.3 | -124.5 | 69.5 | 0 | 0 | 0 | 112.7 | ||||
| 1055 | D | 24.8 | Very low | 27.1 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -151.4 | 167.1 | 18.9 | -146.9 | -10 | 0 | 0 | 0 | 115.1 | ||||
| 1056 | D | 25.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | 51.7 | 112.8 | 144.6 | -109.1 | -8.6 | 0 | 0 | 0 | 124.2 | ||||
| 1057 | S | 24.3 | Very low | 27.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 53.2 | 111.5 | 113.8 | -62.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1058 | R | 30 | Very low | 27.2 | Very low | 259 Ų | 259 | 151.7 Ų | 151.7 | 98% | 0.977 | 79% | 0.788 | S | S | * | * | -154 | 138.8 | 121.5 | -94.2 | 159.7 | -162.3 | -161.2 | 4.3 | 107.6 | |||||
| 1059 | G | 25.1 | Very low | 27.4 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 163.9 | 144.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1060 | S | 29.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | 68.9 | 125.9 | -175.1 | -59.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1061 | R | 24.6 | Very low | 27.3 | Very low | 239 Ų | 239 | 137.5 Ų | 137.5 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | 65.9 | 128.6 | 54.3 | -62.4 | 177.4 | 171.6 | -176.5 | -3.2 | 111.8 | |||||
| 1062 | R | 28.7 | Very low | 27.5 | Very low | 257 Ų | 257 | 134.7 Ų | 134.7 | 97% | 0.97 | 69% | 0.69 | S | S | * | * | cis | -122.2 | 166.5 | 8.4 | -60.8 | 171.3 | 176.7 | 164.8 | -3.7 | 109.4 | ||||
| 1063 | G | 25.4 | Very low | 27.7 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | cis | 152.8 | 148.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1064 | A | 29.2 | Very low | 27.8 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -82.2 | -175 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1065 | D | 26.6 | Very low | 28 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | -157.7 | 158.9 | 65.1 | -69.7 | -41.2 | 0 | 0 | 0 | 114.1 | |||||
| 1066 | D | 27.7 | Very low | 28.2 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 67% | 0.666 | S | S | * | * | trans | 71.1 | 146.6 | 146.4 | -67.8 | -20.3 | 0 | 0 | 0 | 125.6 | ||||
| 1067 | D | 31.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -95.6 | 118.7 | 173.9 | 167.5 | 24.6 | 0 | 0 | 0 | 110.1 | G1069 | D1067-G1069 PolarHBondContact OD1-N 3.39Å; D1067-G1069 VanDerWaalsContact OD1-N 3.12Å | ||
| 1068 | W | 24.1 | Very low | 28.3 | Very low | 203 Ų | 203 | 128 Ų | 128 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | -122.2 | 148.3 | 123.4 | -60.7 | 96.3 | 0 | 0 | 0 | 106.5 | Q551 | Q551-W1068 HydrophobicContact CG-CB 3.88Å; Q551-W1068 HydrophobicContact CG-CD2 4.36Å; Q551-W1068 HydrophobicContact CG-CE3 3.65Å; Q551-W1068 HydrophobicContact CG-CZ3 4.48Å | |||
| 1069 | G | 32.3 | Very low | 28.1 | Very low | 15 Ų | 15 | 127.7 Ų | 127.7 | 16% | 0.155 | 67% | 0.67 | C | S | . | * | trans | -66.6 | -127.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | D547 D1067 | D547-G1069 WeakPolarHBondContact CA-O 3.36Å; D547-G1069 VanDerWaalsContact CB-O 3.26Å; D547-G1069 WeakPolarHBondContact CB-O 3.48Å; D1067-G1069 PolarHBondContact OD1-N 3.39Å; D1067-G1069 VanDerWaalsContact OD1-N 3.12Å | ||
| 1070 | P | 34.9 | Very low | 28.2 | Very low | 2 Ų | 2 | 136.3 Ų | 136.3 | 1% | 0.013 | 68% | 0.682 | C | S | . | * | cis | -96.9 | 140 | -19.7 | -23.4 | 39.8 | 0 | 0 | 0 | 127.5 | R546 D547 E548 H549 N550 Q551 Q552 | R546-P1070 CarbonylContact C-O 3.52Å; R546-P1070 CarbonylContact O-C 2.78Å; R546-P1070 VanDerWaalsContact O-O 3.05Å; D547-P1070 CarbonylContact C-O 3.59Å; D547-P1070 VanDerWaalsContact C-O 3.25Å; D547-P1070 VanDerWaalsContact CA-O 3.25Å; D547-P1070 WeakPolarHBondContact CA-O 3.38Å; D547-P1070 PolarHBondContact N-O 3.33Å; D547-P1070 WeakPolarHBondContact O-CD 3.45Å; E548-P1070 VanDerWaalsContact N-CD 3.35Å; E548-P1070 PolarHBondContact N-O 3.27Å; E548-P1070 WeakPolarHBondContact O-CG 3.48Å; H549-P1070 WeakPolarHBondContact CA-O 3.44Å; H549-P1070 HydrophobicContact CB-CB 4.13Å; H549-P1070 WeakPolarHBondContact CB-O 3.49Å; N550-P1070 VanDerWaalsContact C-CB 3.49Å; N550-P1070 HydrophobicContact CB-CB 4.24Å; N550-P1070 PolarHBondContact N-O 3.03Å; Q551-P1070 HydrophobicContact CB-CB 4.45Å; Q551-P1070 HydrophobicContact CB-CG 3.88Å; Q551-P1070 HydrophobicContact CG-CB 4.35Å; Q551-P1070 HydrophobicContact CG-CG 3.37Å; Q552-P1070 HydrophobicContact CG-CG 4.36Å | ||
| 1071 | R | 29.2 | Very low | 28 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 38% | 0.381 | 68% | 0.68 | S | S | . | * | trans | -95.2 | 145.7 | 156.8 | 72.8 | 76.2 | -122.8 | 173.2 | 10.8 | 124 | R546 H549 N550 D1073 | R546-R1071 HydrophobicContact CB-CB 4.38Å; R546-R1071 HydrophobicContact CG-CB 3.65Å; R546-R1071 HydrophobicContact CG-CG 4.46Å; R546-R1071 PolarHBondContact O-N 3.11Å; H549-R1071 CarbonylContact C-O 3.08Å; N550-R1071 VanDerWaalsContact CA-N 3.3Å; N550-R1071 WeakPolarHBondContact CA-O 3.21Å; N550-R1071 HydrophobicContact CB-CB 4.17Å; N550-R1071 HydrophobicContact CB-CG 3.82Å; N550-R1071 WeakPolarHBondContact CB-O 3.4Å; N550-R1071 VanDerWaalsContact N-CA 3.31Å; N550-R1071 PolarHBondContact N-O 3.23Å; N550-R1071 VanDerWaalsContact OD1-CZ 3.3Å; N550-R1071 PolarHBondContact OD1-NE 3.21Å; N550-R1071 PolarHBondContact OD1-NH2 3.39Å; R1071-D1073 IonicContact CZ-OD1 3.42Å; R1071-D1073 IonicContact CZ-OD2 3.83Å; R1071-D1073 IonicContact NH1-OD1 2.64Å; R1071-D1073 PolarHBondContact NH1-OD1 3.04Å; R1071-D1073 IonicContact NH1-OD2 3.48Å; R1071-D1073 PolarHBondContact NH1-OD2 3.45Å; R1071-D1073 IonicContact NH2-OD2 3.2Å | ||
| 1072 | R | 29 | Very low | 28 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -147.3 | 120.6 | 166.7 | -116.3 | -171.4 | 166.1 | 177.1 | -4.7 | 107.1 | H549 | H549-R1072 HydrophobicContact CB-CB 4Å; H549-R1072 WeakPolarHBondContact CD2-CB 2.9Å; H549-R1072 PolarHBondContact CD2-O 3.04Å | ||
| 1073 | D | 30.2 | Very low | 27.8 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 46% | 0.46 | 68% | 0.679 | S | S | . | * | 76.1 | 134.3 | 70.7 | -57.5 | -15.3 | 0 | 0 | 0 | 113 | R1071 | R1071-D1073 IonicContact CZ-OD1 3.42Å; R1071-D1073 IonicContact CZ-OD2 3.83Å; R1071-D1073 IonicContact NH1-OD1 2.64Å; R1071-D1073 PolarHBondContact NH1-OD1 3.04Å; R1071-D1073 IonicContact NH1-OD2 3.48Å; R1071-D1073 PolarHBondContact NH1-OD2 3.45Å; R1071-D1073 IonicContact NH2-OD2 3.2Å | |||
| 1074 | M | 28.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | cis | -165.6 | 179.5 | -12.5 | -121 | 167.5 | 165.3 | 0 | 0 | 105.7 | ||||
| 1075 | D | 25.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | cis | -129.1 | 155.3 | 9.6 | -63.1 | -81.5 | 0 | 0 | 0 | 108.4 | ||||
| 1076 | D | 30.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | cis | 86.8 | 143.4 | 28.5 | -149.5 | -2.8 | 0 | 0 | 0 | 115.4 | ||||
| 1077 | G | 22.5 | Very low | 27.6 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | trans | 146.8 | 83.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1078 | P | 29.8 | Very low | 27.2 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | trans | -96.7 | 151.5 | 164.7 | 35.8 | -31.7 | 0 | 0 | 0 | 112.9 | ||||
| 1079 | R | 24.8 | Very low | 27.3 | Very low | 252 Ų | 252 | 137 Ų | 137 | 95% | 0.951 | 70% | 0.7 | S | S | * | * | trans | -72.5 | 140.4 | 172 | -69.8 | 175.8 | 170.3 | 179.3 | -5.3 | 111.8 | ||||
| 1080 | R | 26.6 | Very low | 26.9 | Very low | 249 Ų | 249 | 144.9 Ų | 144.9 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | trans | -144 | 145 | 143.6 | -149.8 | 170.3 | -167.6 | -91.4 | -0.6 | 110.7 | ||||
| 1081 | G | 27.2 | Very low | 26.4 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 165.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1082 | E | 24.3 | Very low | 26.6 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -79.6 | 138.1 | 178.8 | -59 | 165.5 | 125 | 0 | 0 | 111.2 | ||||
| 1083 | D | 24.2 | Very low | 26.5 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -150.9 | 88.4 | 166.3 | -153.3 | -11.3 | 0 | 0 | 0 | 108.6 | ||||
| 1084 | A | 27.4 | Very low | 26.3 | Very low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -151.1 | 106.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1085 | K | 26.1 | Very low | 26.3 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 123.6 | 159.4 | -67.8 | 177.8 | -178.7 | 175.2 | 0 | 109 | W1087 | K1085-W1087 PolarHBondContact O-N 3.4Š|
| 1086 | P | 28.6 | Very low | 26.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.5 | 168.7 | -16.5 | 31.1 | 0 | 0 | 0 | 110.6 | ||
| 1087 | W | 21.7 | Very low | 26 | Very low | 245 Ų | 245 | 147.4 Ų | 147.4 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 159 | 164.2 | -109.1 | 57.8 | 0 | 0 | 0 | 110.7 | K1085 | K1085-W1087 PolarHBondContact O-N 3.4Š|
| 1088 | K | 24.7 | Very low | 26.3 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 148.4 | -175.4 | -55.6 | 176.1 | -178.3 | 179.6 | 0 | 112.4 | ||
| 1089 | P | 25.4 | Very low | 26.1 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 159.4 | 153.8 | 35.5 | -32.3 | 0 | 0 | 0 | 112.1 | ||
| 1090 | L | 24.3 | Very low | 26 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 173.2 | 160.8 | -47.8 | 96.8 | 0 | 0 | 0 | 108.6 | ||
| 1091 | G | 24.6 | Very low | 26 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | cis | 174.4 | 155.9 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1092 | R | 33.3 | Very low | 26.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 54% | 0.543 | 74% | 0.739 | S | S | . | * | trans | -60 | 157.6 | -173.9 | -104.8 | -178.9 | 170.7 | -177.5 | -0 | 115.3 | D975 D977 | D975-R1092 IonicContact OD2-CZ 3.33Å; D975-R1092 IonicContact OD2-NH2 2.68Å; D975-R1092 PolarHBondContact OD2-NH2 3.46Å; D977-R1092 VanDerWaalsContact CG-NH1 3.3Å; D977-R1092 IonicContact OD1-NH1 2.72Å; D977-R1092 PolarHBondContact OD1-NH1 3.16Å; D977-R1092 IonicContact OD2-CZ 3.86Å; D977-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D977-R1092 IonicContact OD2-NH1 2.81Å; D977-R1092 PolarHBondContact OD2-NH1 3.19Å; D977-R1092 IonicContact OD2-NH2 3.84Å; D977-R1092 PolarHBondContact OD2-NH2 3.22Å | ||
| 1093 | P | 27.2 | Very low | 26.2 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | -114.7 | 168.2 | 91.6 | -5.4 | 26.1 | 0 | 0 | 0 | 112.5 | |||||
| 1094 | G | 25.8 | Very low | 26.3 | Very low | 59 Ų | 59 | 141.6 Ų | 141.6 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | cis | 98.9 | 118.9 | 12.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1095 | G | 26.7 | Very low | 26.3 | Very low | 29 Ų | 29 | 145 Ų | 145 | 30% | 0.299 | 71% | 0.713 | S | S | . | * | cis | 120.8 | 120.8 | 5.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E976 R978 | E976-G1095 VanDerWaalsContact OE2-CA 3.25Å; E976-G1095 WeakPolarHBondContact OE2-CA 3.37Å; R978-G1095 PolarHBondContact NH2-O 3.38Å | ||
| 1096 | W | 24.8 | Very low | 26.3 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -166.5 | 143.4 | 179.8 | -97.5 | 109.8 | 0 | 0 | 0 | 118.9 | R978 | R978-W1096 VanDerWaalsContact NH1-CE3 3.3Š| ||
| 1097 | R | 26.4 | Very low | 26.1 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | 74.6 | 156.8 | 160.8 | -69.1 | -174.7 | -179.9 | -100.8 | 17.7 | 120.1 | ||||
| 1098 | E | 27.9 | Very low | 26.2 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | cis | -174.1 | 145.2 | -42.4 | -144 | -174.3 | 141.2 | 0 | 0 | 111.3 | ||||
| 1099 | R | 25.6 | Very low | 26.8 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | 62.5 | 160.3 | 164.9 | -77.7 | 167.4 | 178.9 | -104.7 | 2.2 | 117 | ||||
| 1100 | E | 23.6 | Very low | 27.5 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 48% | 0.477 | 70% | 0.7 | S | S | . | * | cis | -146.4 | 163.9 | 8.7 | -151.1 | 137.9 | -121.8 | 0 | 0 | 114.7 | R703 | R703-E1100 IonicContact CZ-OE2 2.95Å; R703-E1100 IonicContact NH1-OE2 4Å; R703-E1100 IonicContact NH2-OE2 3.91Å; R703-E1100 PolarHBondContact NH2-OE2 3.05Å | ||
| 1101 | K | 27.1 | Very low | 27.6 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | trans | -88.7 | -179 | 170.7 | -80.9 | -179.2 | 175.2 | -176.3 | 0 | 111 | ||||
| 1102 | A | 28.5 | Very low | 27.6 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | cis | 175.3 | 162.8 | -31.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1103 | R | 26.8 | Very low | 27.2 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | trans | 161.1 | 157.2 | 164.2 | -95.2 | 176.4 | -161.1 | -130.2 | 30.6 | 107.6 | E692 | E692-R1103 IonicContact OE1-CZ 3.72Å; E692-R1103 IonicContact OE1-NH2 2.79Å; E692-R1103 PolarHBondContact OE1-NH2 3.04Å | ||
| 1104 | E | 26 | Very low | 27 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | cis | -156 | 143.6 | -0.1 | -134.2 | 150.1 | -154.1 | 0 | 0 | 113.9 | ||||
| 1105 | E | 26.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | 14.8 | 137.3 | 145.6 | -55.5 | -178.7 | 170.2 | 0 | 0 | 126.8 | ||||
| 1106 | S | 26.3 | Very low | 26.9 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | 75.5 | 153.4 | 135.2 | 71.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1107 | W | 24.4 | Very low | 26.9 | Very low | 250 Ų | 250 | 140 Ų | 140 | 95% | 0.947 | 73% | 0.733 | S | S | * | * | cis | -134.1 | 168.1 | 15.7 | -74.4 | 63.8 | 0 | 0 | 0 | 113.3 | ||||
| 1108 | G | 24.1 | Very low | 26.9 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -102 | -148.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1109 | P | 37.8 | Very low | 26.9 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | cis | -121.8 | -125.7 | 6.9 | 40.1 | -17.8 | 0 | 0 | 0 | 110.7 | ||||
| 1110 | P | 39.2 | Very low | 27.1 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -124.5 | -110.2 | -3.9 | 38.5 | -15.5 | 0 | 0 | 0 | 116.1 | ||||
| 1111 | R | 27 | Very low | 27.4 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -156 | 168 | -164.6 | -64.8 | 164.3 | -179.5 | -133 | -2.5 | 109.7 | ||||
| 1112 | G | 24.2 | Very low | 27.6 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | cis | 101.7 | 131.7 | 8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1113 | G | 24.4 | Very low | 27.8 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | 179.5 | -149.9 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1114 | S | 24.6 | Very low | 28 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 112.3 | 140.9 | 163 | -58.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1115 | H | 23.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | trans | 65 | 107.8 | 149.4 | -75.5 | -46.5 | 0 | 0 | 0 | 123.9 | ||||
| 1116 | D | 25.1 | Very low | 28.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | 111.2 | 134.7 | 109.3 | -67.8 | -3.7 | 0 | 0 | 0 | 124.6 | |||||
| 1117 | D | 25.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | trans | 69.4 | 122.4 | 150.7 | -53.3 | -17.9 | 0 | 0 | 0 | 124.8 | ||||
| 1118 | E | 26.4 | Very low | 28.3 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 61.3 | 143 | 134.3 | -66.2 | 173.7 | -177 | 0 | 0 | 121.1 | ||||
| 1119 | E | 28.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | cis | -159.5 | -162 | -17.9 | -158.2 | 161 | -136 | 0 | 0 | 109.7 | ||||
| 1120 | E | 29.8 | Very low | 28 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -55.7 | 173.1 | -172.1 | -66.7 | 171.6 | 168 | 0 | 0 | 118.1 | ||||
| 1121 | G | 31.1 | Very low | 27.3 | Very low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | cis | 163.9 | 156 | -3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1122 | D | 31.1 | Very low | 27.4 | Very low | 169 Ų | 169 | 134 Ų | 134 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | 52.1 | 161.2 | 166.9 | -57.9 | -21.8 | 0 | 0 | 0 | 120.9 | ||||
| 1123 | G | 31.9 | Very low | 27.6 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | cis | -178.7 | 161.9 | -7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1124 | D | 30.1 | Very low | 27.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 54.3 | 134.9 | 154.5 | -68.9 | -11.3 | 0 | 0 | 0 | 127.2 | ||||
| 1125 | E | 29.3 | Very low | 27.6 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 52.3 | 154.9 | 135.8 | -59.7 | -146.1 | 125.5 | 0 | 0 | 123.3 | ||||
| 1126 | Q | 27.3 | Very low | 28.3 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -161.5 | 150.7 | -6.3 | -123.9 | -173.2 | 48.6 | 0 | 0 | 112.9 | ||||
| 1127 | S | 26 | Very low | 28.3 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | 64.2 | 143.1 | 135.9 | -149.4 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1128 | S | 27.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 84.4 | 153.2 | 143.7 | 97.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 1129 | D | 28.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | cis | -166.5 | 177.5 | -3.3 | -170.1 | 21.9 | 0 | 0 | 0 | 113 | ||||
| 1130 | R | 27.1 | Very low | 27.9 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 85.1 | 147.1 | 156.8 | -55.4 | -163.6 | 179.8 | 174.9 | 3.2 | 118.7 | ||||
| 1131 | F | 24.6 | Very low | 27.5 | Very low | 152 Ų | 152 | 147 Ų | 147 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | cis | -169.5 | 172.3 | 0.6 | -118.6 | -168.2 | 0 | 0 | 0 | 109.2 | ||||
| 1132 | R | 29.3 | Very low | 27.8 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | cis | -167.2 | 179.2 | -9.7 | -146.5 | -176.3 | -174.5 | -98.5 | 6.5 | 109.8 | ||||
| 1133 | D | 27.7 | Very low | 27.3 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 47% | 0.471 | 72% | 0.719 | S | S | . | * | trans | 67.8 | 173.6 | 156.9 | -88.4 | -130.4 | 0 | 0 | 0 | 117.9 | ||||
| 1134 | R | 27.1 | Very low | 26.9 | Very low | 212 Ų | 212 | 155.2 Ų | 155.2 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | cis | -132.1 | -131.3 | 4.9 | -166 | 135.7 | -80.7 | -171 | -3.8 | 113.6 | ||||
| 1135 | R | 21.3 | Very low | 26.5 | Very low | 231 Ų | 231 | 159.2 Ų | 159.2 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -170.2 | 171.6 | -161.3 | -100.2 | -170 | -179 | -156.2 | 0.9 | 111.9 | ||||
| 1136 | P | 38.5 | Very low | 26.2 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | cis | -142.7 | -179.6 | -21.9 | 39.2 | -19.8 | 0 | 0 | 0 | 116.9 | ||||
| 1137 | Q | 24.8 | Very low | 26 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | 53.6 | 129.9 | 145.1 | -81 | 174.6 | -61.2 | 0 | 0 | 123.9 | ||||
| 1138 | R | 24.2 | Very low | 25.9 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 75% | 0.751 | 70% | 0.696 | S | S | * | * | -168.9 | 164.2 | 90.8 | -170.5 | 164.2 | -178.2 | -84 | -12.5 | 111.1 | E1140 | R1138-E1140 IonicContact CZ-OE1 3.26Å; R1138-E1140 IonicContact NH1-OE1 2.96Å; R1138-E1140 PolarHBondContact NH1-OE1 3.14Å; R1138-E1140 IonicContact NH2-OE1 3.77Å; R1138-E1140 PolarHBondContact NH2-OE1 3.14Å | |||
| 1139 | E | 23.3 | Very low | 25.7 | Very low | 158 Ų | 158 | 147 Ų | 147 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -94.2 | 157.2 | -179.8 | -56.3 | 153.2 | 124 | 0 | 0 | 112.8 | ||||
| 1140 | E | 23.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | 178.7 | 161.7 | 124.7 | -95.3 | 164 | -128.1 | 0 | 0 | 111.9 | R1138 | R1138-E1140 IonicContact CZ-OE1 3.26Å; R1138-E1140 IonicContact NH1-OE1 2.96Å; R1138-E1140 PolarHBondContact NH1-OE1 3.14Å; R1138-E1140 IonicContact NH2-OE1 3.77Å; R1138-E1140 PolarHBondContact NH2-OE1 3.14Å | |||
| 1141 | N | 22.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | trans | -127.5 | -168.1 | -179 | -141.5 | -2.5 | 0 | 0 | 0 | 106.1 | ||||
| 1142 | P | 37.5 | Very low | 25.5 | Very low | 84 Ų | 84 | 131 Ų | 131 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | cis | -138.4 | -164.4 | -16 | 21.9 | 6.5 | 0 | 0 | 0 | 114 | ||||
| 1143 | W | 21.2 | Very low | 25.2 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | 91.4 | 123.5 | 147 | -66.7 | 127.8 | 0 | 0 | 0 | 124.3 | ||||
| 1144 | R | 22.7 | Very low | 25.1 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | 80 | 135.6 | 127.2 | -74.3 | 178.1 | -172.7 | -96.6 | -3.6 | 123.9 | |||||
| 1145 | R | 22.1 | Very low | 25 | Very low | 242 Ų | 242 | 132.6 Ų | 132.6 | 91% | 0.913 | 63% | 0.629 | S | S | * | * | trans | 66.8 | 147.6 | 155.1 | -74.2 | -178.2 | 168.7 | -173.1 | -3.5 | 117.2 | ||||
| 1146 | G | 22.4 | Very low | 25.2 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | cis | 145.8 | 127.1 | -15.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1147 | G | 23.5 | Very low | 24.4 | Very low | 43 Ų | 43 | 132.4 Ų | 132.4 | 44% | 0.443 | 63% | 0.631 | S | S | . | * | trans | 98.4 | 158.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1148 | N | 22.9 | Very low | 24.4 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 33% | 0.332 | 63% | 0.625 | S | S | . | * | cis | -146.8 | -160.8 | -17.5 | -60.6 | -75.6 | 0 | 0 | 0 | 109.1 | I771 E774 K775 | I771-N1148 HydrophobicContact CB-CB 4.21Å; I771-N1148 HydrophobicContact CG1-CB 4.19Å; I771-N1148 HydrophobicContact CG2-CB 3.35Å; I771-N1148 WeakPolarHBondContact O-CB 3.3Å; E774-N1148 PolarHBondContact OE2-ND2 3.46Å; K775-N1148 WeakPolarHBondContact CD-O 3.26Å; K775-N1148 WeakPolarHBondContact CE-O 3.31Å; K775-N1148 PolarHBondContact NZ-O 3.12Å | ||
| 1149 | E | 23.9 | Very low | 24.4 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 36% | 0.355 | 63% | 0.627 | S | S | . | * | trans | -139.5 | 122.1 | 171.6 | -59 | 86.5 | -123.2 | 0 | 0 | 115.1 | R768 Y772 K775 | R768-E1149 HydrophobicContact CG-CB 4.3Å; R768-E1149 WeakPolarHBondContact CG-O 3.47Å; R768-E1149 IonicContact CZ-OE2 2.65Å; R768-E1149 IonicContact NH2-OE2 2.7Å; R768-E1149 PolarHBondContact NH2-OE2 3.44Å; Y772-E1149 HydrophobicContact CD2-CB 3.49Å; Y772-E1149 VanDerWaalsContact CD2-CB 3.49Å; Y772-E1149 HydrophobicContact CD2-CG 3.68Å; Y772-E1149 HydrophobicContact CE2-CB 3.85Å; Y772-E1149 HydrophobicContact CE2-CG 3.94Å; Y772-E1149 HydrophobicContact CG-CB 4.24Å; K775-E1149 IonicContact NZ-OE1 3.72Å; K775-E1149 PolarHBondContact NZ-OE1 3.13Å | ||
| 1150 | E | 25.9 | Very low | 24.8 | Very low | 14 Ų | 14 | 132.6 Ų | 132.6 | 7% | 0.065 | 63% | 0.632 | C | S | . | * | trans | -174.1 | 155.8 | 177.5 | -47.6 | -147.8 | 84.7 | 0 | 0 | 114.1 | A766 A767 R768 S769 F770 I771 Y772 E773 | A766-E1150 VanDerWaalsContact C-OE1 3.31Å; A766-E1150 VanDerWaalsContact O-OE1 3.1Å; A767-E1150 WeakPolarHBondContact CA-OE1 3.44Å; A767-E1150 PolarHBondContact N-OE1 3.14Å; R768-E1150 VanDerWaalsContact C-CA 3.43Å; R768-E1150 VanDerWaalsContact C-OE1 3.28Å; R768-E1150 VanDerWaalsContact CA-CB 3.48Å; R768-E1150 WeakPolarHBondContact CA-OE1 3.44Å; R768-E1150 HydrophobicContact CB-CB 4.4Å; R768-E1150 PolarHBondContact N-OE1 3.12Å; R768-E1150 CarbonylContact O-C 3.37Å; R768-E1150 WeakPolarHBondContact O-CA 3.34Å; S769-E1150 VanDerWaalsContact C-CB 3.43Å; S769-E1150 VanDerWaalsContact N-CB 3.35Å; S769-E1150 VanDerWaalsContact N-CD 3.29Å; S769-E1150 PolarHBondContact N-OE1 3.33Å; F770-E1150 WeakPolarHBondContact CA-OE2 3.46Å; F770-E1150 WeakPolarHBondContact CB-OE2 3.49Å; F770-E1150 PolarHBondContact N-OE1 3.46Å; F770-E1150 PolarHBondContact N-OE2 2.74Å; I771-E1150 HydrophobicContact CB-CG 4.03Å; I771-E1150 WeakPolarHBondContact CB-OE2 3.3Å; I771-E1150 HydrophobicContact CG2-CG 3.51Å; I771-E1150 VanDerWaalsContact CG2-OE2 3.3Å; I771-E1150 WeakPolarHBondContact CG2-OE2 3.33Å; I771-E1150 PolarHBondContact N-OE2 3.44Å; Y772-E1150 CarbonylContact C-O 3.57Å; Y772-E1150 WeakPolarHBondContact CA-O 3.35Å; Y772-E1150 VanDerWaalsContact CB-N 3.34Å; Y772-E1150 WeakPolarHBondContact CD1-O 3.49Å; Y772-E1150 VanDerWaalsContact N-CB 3.25Å; Y772-E1150 PolarHBondContact N-O 3.47Å; E773-E1150 PolarHBondContact N-O 3.33Å | ||
| 1151 | G | 25.3 | Very low | 24.9 | Very low | 16 Ų | 16 | 131.9 Ų | 131.9 | 17% | 0.165 | 64% | 0.638 | C | S | . | * | trans | 123 | 49.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 126.3 | R768 S769 | R768-G1151 PolarHBondContact O-N 3.25Å; S769-G1151 WeakPolarHBondContact O-CA 3.31Å | ||
| 1152 | S | 25.5 | Very low | 25.5 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | 35.9 | 108.5 | 136.8 | -170.5 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1153 | W | 23.8 | Very low | 24.9 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 81% | 0.814 | 65% | 0.654 | S | S | * | * | 53.3 | 127.8 | 129.2 | -64 | 92.7 | 0 | 0 | 0 | 125.6 | |||||
| 1154 | R | 24.2 | Very low | 25.1 | Very low | 196 Ų | 196 | 136 Ų | 136 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | trans | 44.4 | 147.1 | 134 | -82.5 | -173.4 | -174.7 | -109.1 | 6.2 | 121.8 | ||||
| 1155 | D | 26 | Very low | 25.3 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | cis | -151.6 | 163.4 | 7.2 | -141 | -40.1 | 0 | 0 | 0 | 114.1 | ||||
| 1156 | S | 24.8 | Very low | 25.5 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -25.5 | 141.9 | 168.8 | -47.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1157 | R | 23 | Very low | 25.6 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | 168.7 | 155.6 | 119.7 | -94.8 | -177.2 | -179.9 | -155.5 | 0.5 | 110.7 | |||||
| 1158 | R | 23.5 | Very low | 25.7 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | cis | -165.8 | 172.7 | -16.3 | -166.1 | -174.9 | -177.5 | -151.5 | 0.9 | 106.8 | ||||
| 1159 | E | 23.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | 140.1 | 128.8 | 131.4 | -84 | 152.7 | -154.6 | 0 | 0 | 115.2 | ||||
| 1160 | E | 31.4 | Very low | 26 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | trans | -128.2 | 124.7 | 163 | -76.1 | -172.8 | 125 | 0 | 0 | 107.9 | ||||
| 1161 | T | 27.3 | Very low | 26 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | trans | 65.6 | 142.9 | 164.1 | 60.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1162 | D | 34.8 | Very low | 26.1 | Very low | 157 Ų | 157 | 159.4 Ų | 159.4 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -81.2 | 140.2 | -170.3 | -42.1 | -100.1 | 0 | 0 | 0 | 113.8 | ||||
| 1163 | R | 24.3 | Very low | 26.3 | Very low | 227 Ų | 227 | 165.7 Ų | 165.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | 178.5 | 133.1 | 130.7 | -102 | 170.5 | 176 | 164.8 | 1.6 | 115.2 | ||||
| 1164 | D | 26.2 | Very low | 26.5 | Very low | 137 Ų | 137 | 164.8 Ų | 164.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 32.5 | 107.3 | 135.4 | -55.5 | -38.7 | 0 | 0 | 0 | 121.6 | ||||
| 1165 | D | 26.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 159.6 Ų | 159.6 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | 62.1 | 113.3 | 120.5 | -110.4 | -11.2 | 0 | 0 | 0 | 122.8 | |||||
| 1166 | R | 25.8 | Very low | 26.7 | Very low | 186 Ų | 186 | 160.8 Ų | 160.8 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | trans | 81.6 | 117 | 136.9 | -71.4 | 163.4 | -152 | -171.8 | 21 | 122.7 | ||||
| 1167 | R | 24.7 | Very low | 26.7 | Very low | 224 Ų | 224 | 166.4 Ų | 166.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 73.7 | 145.8 | 133.5 | -66.5 | 176.5 | -176.6 | -167.4 | -0.5 | 116.8 | ||||
| 1168 | S | 26.6 | Very low | 27 | Very low | 93 Ų | 93 | 162.1 Ų | 162.1 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -167.7 | 156.7 | -6.2 | 42.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1169 | D | 26.7 | Very low | 27.2 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 71.5 | 143.4 | 145.9 | -69.9 | 14.1 | 0 | 0 | 0 | 123.4 | ||||
| 1170 | R | 26.5 | Very low | 27.4 | Very low | 211 Ų | 211 | 159.7 Ų | 159.7 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | 73.2 | 117.4 | 153.8 | -70.3 | 162.6 | -176 | -176.4 | 0.7 | 119.2 | ||||
| 1171 | D | 25.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 162.6 Ų | 162.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | 73.3 | 139.6 | 58.8 | -64.9 | -45.9 | 0 | 0 | 0 | 116.2 | |||||
| 1172 | D | 27.3 | Very low | 27.1 | Very low | 94 Ų | 94 | 159.1 Ų | 159.1 | 50% | 0.503 | 74% | 0.737 | S | S | . | * | trans | 67.1 | 110.2 | 148.8 | -118.4 | -21.6 | 0 | 0 | 0 | 119.9 | R1174 | D1172-R1174 WeakPolarHBondContact OD1-CD 3.41Å; D1172-R1174 WeakPolarHBondContact OD1-CG 3.27Å; D1172-R1174 IonicContact OD1-CZ 3.72Å; D1172-R1174 IonicContact OD1-NE 2.99Å; D1172-R1174 PolarHBondContact OD1-NE 3.33Å; D1172-R1174 IonicContact OD1-NH2 2.67Å; D1172-R1174 IonicContact OD2-CZ 3Å; D1172-R1174 IonicContact OD2-NE 3.58Å; D1172-R1174 PolarHBondContact OD2-NE 3.45Å; D1172-R1174 IonicContact OD2-NH2 2.74Å; D1172-R1174 PolarHBondContact OD2-NH2 3.38Å | ||
| 1173 | R | 29.9 | Very low | 26.8 | Very low | 230 Ų | 230 | 158 Ų | 158 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | -172.4 | 137.4 | 108.4 | -88.8 | 141.7 | -154.9 | -127.1 | 0.6 | 109.7 | |||||
| 1174 | R | 27.5 | Very low | 26.9 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | cis | 71.1 | 138.1 | 44.3 | -63.5 | -173.2 | -160.2 | -138.3 | 11 | 112.9 | D1172 | D1172-R1174 WeakPolarHBondContact OD1-CD 3.41Å; D1172-R1174 WeakPolarHBondContact OD1-CG 3.27Å; D1172-R1174 IonicContact OD1-CZ 3.72Å; D1172-R1174 IonicContact OD1-NE 2.99Å; D1172-R1174 PolarHBondContact OD1-NE 3.33Å; D1172-R1174 IonicContact OD1-NH2 2.67Å; D1172-R1174 IonicContact OD2-CZ 3Å; D1172-R1174 IonicContact OD2-NE 3.58Å; D1172-R1174 PolarHBondContact OD2-NE 3.45Å; D1172-R1174 IonicContact OD2-NH2 2.74Å; D1172-R1174 PolarHBondContact OD2-NH2 3.38Å | ||
| 1175 | S | 26.9 | Very low | 27 | Very low | 88 Ų | 88 | 155.7 Ų | 155.7 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | cis | -159.6 | -174.8 | 0 | 40.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1176 | D | 27.1 | Very low | 26.9 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 78.8 | 143.1 | 159.5 | -54.5 | -60.5 | 0 | 0 | 0 | 116.9 | ||||
| 1177 | R | 26.1 | Very low | 26.8 | Very low | 215 Ų | 215 | 156.1 Ų | 156.1 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | cis | -155.2 | 173.6 | 8.4 | -134.2 | 170.3 | -164.4 | 174.9 | 5.7 | 114.2 | ||||
| 1178 | D | 28.4 | Very low | 26.7 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -42.5 | 170 | 175.4 | -37.6 | -49.4 | 0 | 0 | 0 | 116.8 | ||||
| 1179 | D | 28.7 | Very low | 26.5 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | cis | -165.3 | 174.6 | 23.8 | -157 | -9.6 | 0 | 0 | 0 | 113.4 | ||||
| 1180 | R | 26.5 | Very low | 26.4 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 75% | 0.751 | 73% | 0.727 | S | S | * | * | trans | 79.4 | 98 | 152.2 | -77.3 | 155 | -141.3 | -141.9 | -1.5 | 124.2 | ||||
| 1181 | R | 27.7 | Very low | 26.3 | Very low | 241 Ų | 241 | 154.1 Ų | 154.1 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | 49.1 | 121 | 111.1 | -63.8 | 179.7 | -177.8 | -148.3 | 0 | 122 | |||||
| 1182 | G | 25.2 | Very low | 26.3 | Very low | 68 Ų | 68 | 156.1 Ų | 156.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | 113.5 | 126.2 | 97.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1183 | D | 27.9 | Very low | 26.3 | Very low | 133 Ų | 133 | 156.5 Ų | 156.5 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 61.1 | 151.6 | 151.6 | -69.9 | 14.5 | 0 | 0 | 0 | 119.3 | ||||
| 1184 | R | 27.2 | Very low | 26.1 | Very low | 195 Ų | 195 | 155 Ų | 155 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | cis | -165.4 | 166.6 | -6.4 | -117.8 | 177.8 | -148.8 | -132 | 7.3 | 113.6 | ||||
| 1185 | D | 28.2 | Very low | 26.1 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | trans | 29.2 | 117.6 | 140.2 | -52.2 | -20.1 | 0 | 0 | 0 | 122.9 | ||||
| 1186 | D | 25.2 | Very low | 26 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | 41.6 | 134.6 | 104.7 | -141.2 | 15.1 | 0 | 0 | 0 | 122.2 | |||||
| 1187 | R | 23.6 | Very low | 25.9 | Very low | 190 Ų | 190 | 158.8 Ų | 158.8 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | 66.8 | 133.8 | 154.5 | -71.2 | 167.9 | -147.7 | -157.8 | 7.4 | 123 | ||||
| 1188 | R | 22.6 | Very low | 25.8 | Very low | 238 Ų | 238 | 154.1 Ų | 154.1 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | trans | 60 | 140.8 | 144 | -60.6 | 171 | -178.4 | -155.9 | -0.7 | 116.7 | ||||
| 1189 | G | 21.6 | Very low | 25.7 | Very low | 71 Ų | 71 | 152.9 Ų | 152.9 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | cis | 122.9 | 150.8 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1190 | D | 24.8 | Very low | 25.6 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | trans | 83.6 | 149.1 | 171.6 | -162.8 | 20.2 | 0 | 0 | 0 | 118.2 | ||||
| 1191 | R | 25 | Very low | 25.6 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 70% | 0.698 | 70% | 0.702 | S | S | * | * | trans | 79.6 | 146.7 | 162.9 | -46.7 | -166.6 | -179.2 | 162.6 | 12.4 | 120.3 | ||||
| 1192 | R | 25.6 | Very low | 25.5 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | cis | -173.9 | 164.1 | -16.8 | -106.3 | 175 | -167.2 | -165.3 | 2 | 108.3 | ||||
| 1193 | D | 26.7 | Very low | 25.5 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | cis | -108.2 | -101.7 | -14.7 | -51.4 | -81.1 | 0 | 0 | 0 | 109.4 | ||||
| 1194 | R | 25.6 | Very low | 26 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | cis | -157.7 | 175.6 | -18.6 | -149.4 | 161.7 | -83.7 | -161.3 | -3.1 | 110.5 | ||||
| 1195 | D | 26.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | trans | 14.2 | 133 | 155.1 | -71.6 | -23.1 | 0 | 0 | 0 | 120.5 | ||||
| 1196 | R | 25.4 | Very low | 28 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 73% | 0.725 | 70% | 0.702 | S | S | * | * | cis | -164.9 | 141.9 | 4.2 | -128.1 | 169.9 | -121.3 | 178.4 | 11.2 | 113.1 | ||||
| 1197 | R | 25 | Very low | 28.4 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | trans | 51.2 | 131.3 | 134.7 | -79.7 | -179.2 | 174.7 | -93.6 | 5.1 | 123.4 | ||||
| 1198 | D | 25.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | 63.7 | 152.3 | 128.7 | -40.5 | -18.6 | 0 | 0 | 0 | 118.6 | |||||
| 1199 | D | 25.7 | Very low | 29 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 60% | 0.599 | 69% | 0.693 | S | S | * | * | cis | -156.8 | 165.9 | 1.6 | -146.9 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 1200 | R | 26.3 | Very low | 29.3 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | 56.7 | 134.8 | 153.2 | -78.6 | 152.4 | -142.1 | -119 | 0.5 | 121 | ||||
| 1201 | E | 26.4 | Very low | 29.3 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | 65.5 | 147.3 | 76.4 | -65.2 | -178.6 | -152.3 | 0 | 0 | 114.8 | |||||
| 1202 | H | 26.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | cis | -157.1 | 137 | 11.5 | -139.8 | 99.1 | 0 | 0 | 0 | 112.5 | ||||
| 1203 | R | 24.5 | Very low | 29.6 | Very low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | trans | 43.5 | 168.1 | 156.2 | -78.7 | -161 | 157.9 | -161.9 | -4.2 | 124.9 | ||||
| 1204 | P | 38.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | trans | -124.7 | -122 | -161.4 | 27.8 | -0.3 | 0 | 0 | 0 | 117 | ||||
| 1205 | P | 55 | Low | 29.7 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | -120.4 | -170.6 | -116.1 | 46.3 | -29.1 | 0 | 0 | 0 | 113.7 | |||||
| 1206 | P | 43.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | -157.7 | 171.8 | 75.4 | 43.2 | -22.8 | 0 | 0 | 0 | 118.7 | |||||
| 1207 | R | 32.4 | Very low | 29.7 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 62.3 | 168 | 142.4 | -82.5 | 174.8 | 161.6 | -118.9 | 3.4 | 119.8 | ||||
| 1208 | D | 30.9 | Very low | 29.8 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 53% | 0.529 | 74% | 0.735 | S | S | . | * | cis | -159.7 | 165.5 | -3 | -116.8 | -24.2 | 0 | 0 | 0 | 110.7 | ||||
| 1209 | T | 28.7 | Very low | 30 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | 59 | 165.9 | 151.6 | 51.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1210 | D | 26.8 | Very low | 30 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | cis | -164 | 174.8 | -47 | -135.1 | -43.9 | 0 | 0 | 0 | 110.6 | ||||
| 1211 | E | 26.6 | Very low | 30 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | 42.1 | 145.1 | 160.1 | -61.5 | -162 | 145.4 | 0 | 0 | 123.8 | ||||
| 1212 | G | 28.8 | Very low | 30.1 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 169.1 | 113 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1213 | S | 27.3 | Very low | 30.2 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -113.5 | 166.6 | -170.4 | -80.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1214 | S | 28.3 | Very low | 30.4 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 77.6 | 154.6 | 158.5 | 80.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1215 | W | 25.3 | Very low | 29.8 | Very low | 219 Ų | 219 | 138.1 Ų | 138.1 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | cis | -125.6 | 157.8 | -0.8 | -79.2 | 80.1 | 0 | 0 | 0 | 109.2 | ||||
| 1216 | R | 26.5 | Very low | 28.4 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | 31 | 142.2 | 86.6 | -71.7 | 178 | 179.9 | -125.3 | 0.2 | 114.3 | |||||
| 1217 | R | 26.1 | Very low | 27.5 | Very low | 218 Ų | 218 | 143.8 Ų | 143.8 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | cis | -154.2 | 170.1 | 6.8 | -123.5 | -179.1 | 168 | 175 | -8.9 | 106 | ||||
| 1218 | G | 28 | Very low | 27.2 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | cis | 99.5 | 75.7 | 12 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1219 | G | 28.1 | Very low | 27 | Very low | 62 Ų | 62 | 142.3 Ų | 142.3 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -158.7 | 133.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1220 | D | 26.5 | Very low | 27 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | cis | 62.6 | 123.6 | 47.1 | -55.2 | -37.5 | 0 | 0 | 0 | 110.1 | ||||
| 1221 | D | 26.6 | Very low | 27.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | cis | -161.4 | -174.9 | 8.9 | -150.5 | -15.3 | 0 | 0 | 0 | 112.1 | ||||
| 1222 | K | 28.3 | Very low | 27.2 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | 18.4 | 141.2 | 136.4 | -80.9 | 167.4 | -155.3 | 73.6 | 0 | 118.3 | ||||
| 1223 | R | 28.6 | Very low | 27 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | cis | 163.5 | -164.5 | 23.7 | 170 | -162.6 | 174.5 | -135.8 | -0.2 | 105.5 | ||||
| 1224 | E | 27.1 | Very low | 26.8 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 62% | 0.621 | 69% | 0.688 | S | S | * | * | trans | 80.9 | 142.5 | 154.5 | -55.2 | 176.6 | -170.5 | 0 | 0 | 115.2 | ||||
| 1225 | E | 27.2 | Very low | 26.6 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | cis | -158.5 | 151.3 | -10.7 | -126 | 176 | -159.7 | 0 | 0 | 112.2 | ||||
| 1226 | R | 25.1 | Very low | 26.5 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | 163.2 | 126.6 | 119.3 | -83.3 | -171.5 | 177.4 | -171 | -2.8 | 109.6 | |||||
| 1227 | E | 24.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 54% | 0.542 | 67% | 0.671 | S | S | . | * | 64.8 | 119.5 | 63.8 | -71.3 | -137.6 | 129.9 | 0 | 0 | 110.8 | |||||
| 1228 | R | 27 | Very low | 26.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | cis | -162.1 | -178.7 | 21.8 | -86.2 | 143.9 | -177.6 | -81.1 | -7.5 | 108.9 | ||||
| 1229 | E | 26.2 | Very low | 26.1 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | cis | -156.5 | 138.3 | -24.1 | -106.1 | 168.7 | 124.3 | 0 | 0 | 103.4 | R1232 | E1229-R1232 IonicContact OE1-NH2 3.29Š| ||
| 1230 | R | 28.6 | Very low | 25.9 | Very low | 212 Ų | 212 | 153 Ų | 153 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | 44.2 | 129 | 80.3 | -75.6 | -170.7 | 177.6 | -122.2 | -0.8 | 115.4 | |||||
| 1231 | P | 31.1 | Very low | 25.9 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 65% | 0.653 | S | S | * | * | -93.8 | 164.5 | 101.4 | -25.5 | 38.6 | 0 | 0 | 0 | 112.6 | |||||
| 1232 | R | 25.2 | Very low | 26 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 63% | 0.634 | 66% | 0.659 | S | S | * | * | cis | 74.6 | 141.2 | 18.8 | -55.6 | -149 | -163.1 | -174.2 | 7.5 | 113.5 | E1229 | E1229-R1232 IonicContact OE1-NH2 3.29Š| ||
| 1233 | E | 25.3 | Very low | 25.9 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | cis | -144.6 | 161.4 | 8.7 | -121.5 | 152.4 | -156.3 | 0 | 0 | 109.8 | ||||
| 1234 | R | 24 | Very low | 25.8 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | 45.8 | 145.5 | 100.3 | -64.1 | -176.5 | -179.2 | -143.7 | 16.9 | 115.7 | |||||
| 1235 | E | 24 | Very low | 25.9 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | cis | -153.9 | -165.7 | 6.1 | -129.8 | 170.1 | -129.3 | 0 | 0 | 112.8 | ||||
| 1236 | R | 23.5 | Very low | 25.9 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | trans | -32 | 165.6 | 166.7 | -69.8 | 168.5 | -170.7 | 168.9 | 4.7 | 118.2 | ||||
| 1237 | E | 22.4 | Very low | 25.9 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | cis | -164.5 | 160 | 11.7 | -126.2 | 171.9 | 115.3 | 0 | 0 | 112.1 | ||||
| 1238 | R | 23.9 | Very low | 26.1 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 57% | 0.574 | 69% | 0.685 | S | S | * | * | trans | 55.9 | 134.5 | 148.5 | -71 | -174.5 | -146.5 | -166.2 | 10.4 | 124.4 | E69 | E69-R1238 IonicContact OE1-NH2 2.73Š| ||
| 1239 | E | 24.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | trans | 65.6 | 149 | 140 | -63.3 | 179.4 | 100.4 | 0 | 0 | 117 | ||||
| 1240 | R | 25.4 | Very low | 26 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | cis | -160.3 | -179.4 | -7.9 | -123.1 | -165.7 | -119.5 | -166.3 | 0.6 | 111 | ||||
| 1241 | D | 25.8 | Very low | 25.9 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | 11.6 | 145.1 | 151.3 | -34.5 | -25.9 | 0 | 0 | 0 | 118.9 | ||||
| 1242 | A | 27.6 | Very low | 25.6 | Very low | 86 Ų | 86 | 145.3 Ų | 145.3 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | cis | 161.3 | 140.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1243 | E | 26.4 | Very low | 25.7 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 69% | 0.69 | S | S | * | * | trans | 43.7 | 122.3 | 155.5 | -61.4 | 171.6 | -172.2 | 0 | 0 | 120.7 | ||||
| 1244 | G | 28.1 | Very low | 25.5 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | trans | -132.1 | -38.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1245 | E | 28 | Very low | 26.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 67% | 0.673 | 69% | 0.693 | S | S | * | * | trans | 49.8 | 137.5 | 166.9 | -78.7 | -154.9 | 121.6 | 0 | 0 | 124.7 | ||||
| 1246 | K | 26.3 | Very low | 26.4 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | 89.9 | 121.9 | 130.9 | -83.6 | 169.2 | 177.3 | 139.1 | 0 | 124.4 | ||||
| 1247 | A | 26.1 | Very low | 26.4 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | 70.7 | 171 | 135.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1248 | W | 27.8 | Very low | 26.5 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | cis | -141.4 | -179.4 | 20.1 | -63.3 | 68.1 | 0 | 0 | 0 | 109.6 | ||||
| 1249 | R | 27 | Very low | 26.6 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 70% | 0.698 | 72% | 0.724 | S | S | * | * | cis | -152.8 | -171.2 | 12.6 | -136.3 | 152.8 | -136.7 | -157.9 | 2.2 | 107.1 | ||||
| 1250 | T | 25.4 | Very low | 26.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | cis | -166.5 | 156.8 | 15.1 | 1.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1251 | D | 25.3 | Very low | 26.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | cis | -166.3 | 175.5 | -4.8 | -164.3 | 8.8 | 0 | 0 | 0 | 108.4 | ||||
| 1252 | K | 26.7 | Very low | 26.6 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | 67.4 | 143.4 | 152.2 | -77.6 | 156.6 | 178.6 | -74.5 | 0 | 120.4 | ||||
| 1253 | E | 25.9 | Very low | 26.7 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | cis | -150.4 | 167.2 | -6.9 | -141.4 | 153.8 | -137.6 | 0 | 0 | 112 | ||||
| 1254 | N | 22.3 | Very low | 26.6 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -74.1 | 175.3 | -179.5 | -116.9 | -43.4 | 0 | 0 | 0 | 111.9 | ||||
| 1255 | P | 39.8 | Very low | 26.6 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -153.8 | 154.6 | 32.9 | 40.1 | -17 | 0 | 0 | 0 | 121.4 | ||||
| 1256 | R | 25.8 | Very low | 26.7 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | 65.8 | 163.3 | 145.7 | -64.1 | 164.8 | 179.8 | 171.8 | -1.4 | 117 | ||||
| 1257 | R | 24.8 | Very low | 26.7 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | cis | -161.9 | 134 | 13.7 | -143.7 | -171 | 179.8 | 175 | -2.2 | 112.3 | ||||
| 1258 | T | 24.7 | Very low | 26.9 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 45.1 | 133 | 140.6 | 57.1 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1259 | K | 25.1 | Very low | 27 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | 99.8 | 122.5 | 123.7 | -93.5 | -159.1 | 166 | -152 | 0 | 123 | |||||
| 1260 | N | 24 | Very low | 27.1 | Very low | 104 Ų | 104 | 143 Ų | 143 | 56% | 0.556 | 73% | 0.732 | S | S | * | * | 76.6 | 155.6 | 126.3 | -80.3 | 33.1 | 0 | 0 | 0 | 124.4 | |||||
| 1261 | E | 24.9 | Very low | 27.1 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 72.5 | 112 | 154.1 | -75.6 | 135 | -126.7 | 0 | 0 | 116.2 | ||||
| 1262 | T | 26.4 | Very low | 27.4 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | 73.6 | 145.8 | 68.8 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1263 | D | 29 | Very low | 27.4 | Very low | 132 Ų | 132 | 157.7 Ų | 157.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -146.6 | 179.2 | 0.4 | -98.8 | -29.5 | 0 | 0 | 0 | 110.5 | ||||
| 1264 | D | 25.6 | Very low | 27.5 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 16.5 | 131.1 | 148.9 | -60.8 | -29.7 | 0 | 0 | 0 | 121 | ||||
| 1265 | D | 28.4 | Very low | 27.8 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | -167.8 | 154.7 | 95 | -132.8 | -31.1 | 0 | 0 | 0 | 112.6 | |||||
| 1266 | G | 28.7 | Very low | 27.1 | Very low | 56 Ų | 56 | 161.7 Ų | 161.7 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | -95.2 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1267 | W | 27 | Very low | 27.1 | Very low | 252 Ų | 252 | 157.4 Ų | 157.4 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | 168.8 | 161.3 | 121.5 | -98.5 | 81.1 | 0 | 0 | 0 | 112.3 | |||||
| 1268 | T | 31.2 | Very low | 27.3 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | -78.6 | 148.9 | -169.7 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1269 | T | 28.7 | Very low | 27.5 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 179.3 | 118.5 | 115.4 | 26.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1270 | V | 30.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 21.7 | 97.6 | 133.3 | -169.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1271 | R | 24.5 | Very low | 28 | Very low | 233 Ų | 233 | 159.4 Ų | 159.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 171.7 | 150.6 | 130.7 | -98.2 | 160.1 | -177.5 | 174.5 | 2.3 | 110.6 | ||||
| 1272 | R | 31 | Very low | 28.3 | Very low | 303 Ų | 303 | 160.5 Ų | 160.5 | 100% | 1.143 | 81% | 0.805 | S | S | * | * | cis | -143.5 | 0 | 9.7 | -165.6 | -179 | -163.7 | 169.6 | 5 | 111.4 |
Retrieved 1,272 of 1,272 residues in 1245.9 ms
(Link to these results)